#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxr n PRO 2 N 0.00 3.09 -0.77 0.03 -0.04 -1.26 -4.54 135.00 131.52 1bxr n PRO 2 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1bxr n PRO 2 Cb 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.59 1bxr n PRO 2 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1bxr n LYS 3 N 0.00 -0.47 -3.25 0.54 2.85 -1.26 -3.77 118.16 112.80 1bxr n LYS 3 Ca 0.00 -0.10 -0.39 0.00 -1.05 0.00 0.00 58.31 56.78 1bxr n LYS 3 Cb 0.00 -1.89 -0.06 0.00 -0.65 0.00 0.00 35.03 32.43 1bxr n LYS 3 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1bxr s ARG 4 N -3.72 4.24 -0.13 -1.58 3.52 0.50 -4.90 118.95 116.89 1bxr s ARG 4 Ca 0.58 0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 56.81 1bxr s ARG 4 Cb -0.20 -3.28 -0.25 0.00 -1.56 0.00 0.00 34.95 29.65 1bxr s ARG 4 CO 0.67 0.53 0.36 2.41 -0.81 0.00 0.00 175.30 178.45 1bxr n THR 5 N 2.13 1.76 1.36 4.11 -1.04 -1.26 -4.16 114.28 117.18 1bxr n THR 5 Ca -0.09 -0.58 0.09 0.00 -2.04 0.00 0.00 64.05 61.42 1bxr n THR 5 Cb 0.51 -1.78 0.51 0.00 -1.82 0.00 0.00 70.33 67.75 1bxr n THR 5 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bxr n ASP 6 N -3.60 0.00 -4.05 8.00 5.75 -1.26 -4.59 116.55 116.79 1bxr n ASP 6 Ca -0.32 -0.83 -0.29 0.00 -0.01 0.00 0.00 54.79 53.34 1bxr n ASP 6 Cb 1.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.93 1bxr n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1bxr s ILE 7 N -2.00 1.55 -0.01 2.12 1.01 -1.26 -4.98 121.20 117.63 1bxr s ILE 7 Ca 0.26 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1bxr s ILE 7 Cb 0.12 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1bxr s ILE 7 CO 0.20 0.45 -0.01 0.29 0.00 0.00 0.00 174.94 175.87 1bxr n LYS 8 N 4.36 0.23 -4.80 2.79 5.02 -1.26 -4.88 118.16 119.62 1bxr n LYS 8 Ca -0.18 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1bxr n LYS 8 Cb 0.51 -1.02 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 1bxr n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bxr s SER 9 N -4.06 4.04 -0.04 4.39 1.04 -1.26 -0.50 113.70 117.32 1bxr s SER 9 Ca -0.01 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.16 1bxr s SER 9 Cb 0.00 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.76 1bxr s SER 9 CO 0.03 0.22 -0.08 -0.63 0.98 0.00 0.00 173.24 173.76 1bxr s ILE 10 N 0.00 0.76 -0.26 -1.02 1.01 0.28 -2.19 121.20 119.78 1bxr s ILE 10 Ca -0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1bxr s ILE 10 Cb -0.14 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1bxr s ILE 10 CO 0.04 0.26 0.21 -0.22 0.00 0.00 0.00 174.94 175.23 1bxr s LEU 11 N 0.51 4.05 -0.20 2.97 2.96 0.01 -0.35 118.68 128.64 1bxr s LEU 11 Ca -0.08 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 1bxr s LEU 11 Cb -0.12 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1bxr s LEU 11 CO 0.01 -0.03 0.04 -0.63 -1.32 0.00 0.00 176.35 174.42 1bxr s ILE 12 N 1.57 4.40 -0.47 6.68 1.01 0.14 -1.49 121.20 133.05 1bxr s ILE 12 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 1bxr s ILE 12 Cb -0.15 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1bxr s ILE 12 CO 0.09 0.42 0.83 -0.76 0.00 0.00 0.00 174.94 175.52 1bxr s LEU 13 N 0.83 4.22 1.00 2.97 1.43 -1.15 -1.62 118.68 126.36 1bxr s LEU 13 Ca 0.03 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1bxr s LEU 13 Cb -0.14 -2.96 0.20 0.00 0.03 0.00 0.00 46.19 43.31 1bxr s LEU 13 CO 0.02 -0.99 1.19 -0.83 0.23 0.00 0.00 176.35 175.98 1bxr s GLY 14 N 2.28 1.65 0.17 -3.19 0.00 0.07 -3.47 107.32 104.84 1bxr s GLY 14 Ca 0.31 -0.87 0.23 0.00 0.00 0.00 0.00 44.72 44.39 1bxr s GLY 14 CO 0.22 -0.16 1.23 0.00 0.00 0.00 0.00 173.10 174.39 1bxr h ALA 15 N -1.82 0.57 0.00 3.20 0.00 -1.81 -3.39 119.26 116.01 1bxr h ALA 15 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1bxr h ALA 15 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bxr h ALA 15 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1bxr n GLY 16 N 1.26 -1.75 3.74 0.00 0.00 -1.26 -4.77 105.19 102.40 1bxr n GLY 16 Ca 0.02 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 1bxr n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bxr s PRO 17 N 0.00 2.66 0.06 1.61 0.04 -1.26 -4.53 135.00 133.58 1bxr s PRO 17 Ca 0.00 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1bxr s PRO 17 Cb 0.00 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1bxr s PRO 17 CO 0.00 -1.48 1.19 0.42 0.04 0.00 0.00 177.00 177.16 1bxr s ILE 18 N -1.52 4.07 0.22 0.56 -1.09 -1.26 -4.92 121.20 117.26 1bxr s ILE 18 Ca 0.80 1.49 0.02 0.00 -2.23 0.00 0.00 60.65 60.73 1bxr s ILE 18 Cb -0.34 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1bxr s ILE 18 CO 0.38 0.12 0.03 0.68 -1.23 0.00 0.00 174.94 174.92 1bxr s VAL 19 N 1.05 0.74 0.12 2.92 -7.23 -0.95 -2.08 120.40 114.96 1bxr s VAL 19 Ca 0.58 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.44 1bxr s VAL 19 Cb -0.29 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 1bxr s VAL 19 CO 0.29 -0.29 1.72 -0.63 -0.31 0.00 0.00 175.10 175.88 1bxr s ILE 20 N -3.62 2.69 0.00 -0.62 1.01 -1.26 -1.79 121.20 117.61 1bxr s ILE 20 Ca 0.29 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1bxr s ILE 20 Cb 0.07 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1bxr s ILE 20 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1bxr n GLY 21 N 4.06 1.04 2.43 6.18 0.00 -1.26 -4.91 105.19 112.73 1bxr n GLY 21 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1bxr n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bxr n GLN 22 N -2.00 0.56 0.00 1.61 7.27 -0.74 -4.42 117.38 119.66 1bxr n GLN 22 Ca 0.00 -2.75 0.00 0.00 0.07 0.00 0.00 57.00 54.32 1bxr n GLN 22 Cb 0.00 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.23 1bxr n GLN 22 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bxr n ALA 23 N 2.04 0.00 -0.04 1.69 0.00 -1.23 -2.24 120.51 120.73 1bxr n ALA 23 Ca 0.21 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.88 1bxr n ALA 23 Cb 0.54 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.71 1bxr n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h GLU 25 N 0.00 0.00 0.05 0.00 9.09 -1.93 0.30 114.58 122.08 1bxr h GLU 25 Ca 0.30 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.47 1bxr h GLU 25 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 1bxr h GLU 25 CO -0.00 0.00 -1.04 0.74 0.05 0.00 0.00 179.01 178.75 1bxr h PHE 26 N 0.00 0.38 0.00 2.06 0.04 -1.65 -1.69 116.94 116.07 1bxr h PHE 26 Ca 0.22 -0.24 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 1bxr h PHE 26 Cb 1.39 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 1bxr h PHE 26 CO 0.00 1.12 -0.33 0.22 -0.60 0.00 0.00 178.31 178.72 1bxr h ASP 27 N 0.10 0.00 -0.23 2.17 3.58 -0.65 0.11 116.42 121.50 1bxr h ASP 27 Ca -0.08 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1bxr h ASP 27 Cb 1.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1bxr h ASP 27 CO 0.16 0.33 -0.07 0.22 -2.88 0.00 0.00 179.24 177.01 1bxr h TYR 28 N 0.00 0.50 0.06 0.28 3.20 -1.08 0.51 116.97 120.44 1bxr h TYR 28 Ca -0.00 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1bxr h TYR 28 Cb 1.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1bxr h TYR 28 CO 0.00 0.69 -0.03 0.77 -1.64 0.00 0.00 178.16 177.95 1bxr h SER 29 N 0.17 -0.07 -0.75 -2.11 0.02 -1.27 -1.50 113.55 108.04 1bxr h SER 29 Ca 0.06 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1bxr h SER 29 Cb 0.53 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1bxr h SER 29 CO 0.02 0.47 0.49 1.23 -1.14 0.00 0.00 176.83 177.90 1bxr h GLY 30 N -0.64 1.06 1.74 -3.77 0.00 -0.86 -0.50 103.07 100.10 1bxr h GLY 30 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1bxr h GLY 30 CO 0.01 0.39 -0.38 0.00 0.00 0.00 0.00 176.54 176.57 1bxr h ALA 31 N 1.52 1.10 -0.18 3.60 0.00 -0.83 -2.39 119.26 122.08 1bxr h ALA 31 Ca 0.28 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1bxr h ALA 31 Cb -0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bxr h ALA 31 CO -0.06 0.58 -0.60 1.96 0.00 0.00 0.00 179.25 181.14 1bxr h GLN 32 N 0.25 0.59 -0.50 0.00 4.20 -0.04 -2.47 115.11 117.13 1bxr h GLN 32 Ca 0.03 -0.40 -0.10 0.00 0.06 0.00 0.00 58.65 58.24 1bxr h GLN 32 Cb 0.79 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1bxr h GLN 32 CO 0.06 1.01 -0.06 0.00 -0.67 0.00 0.00 178.83 179.17 1bxr h ALA 33 N 0.90 0.68 0.12 3.87 0.00 -1.20 0.22 119.26 123.84 1bxr h ALA 33 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bxr h ALA 33 Cb 1.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bxr h ALA 33 CO 0.11 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.83 1bxr h LYS 35 N -0.20 0.08 -0.42 0.00 3.64 -1.29 -2.09 116.57 116.28 1bxr h LYS 35 Ca -0.01 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1bxr h LYS 35 Cb 0.18 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1bxr h LYS 35 CO 0.00 0.05 -0.01 0.00 -2.27 0.00 0.00 179.45 177.22 1bxr h ALA 36 N 1.12 0.38 0.00 5.00 0.00 -0.32 -1.64 119.26 123.80 1bxr h ALA 36 Ca 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1bxr h ALA 36 Cb 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1bxr h ALA 36 CO -0.10 -0.40 -0.38 -0.07 0.00 0.00 0.00 179.25 178.30 1bxr h LEU 37 N 0.10 0.00 -0.00 0.00 3.38 -1.21 -3.05 115.31 114.53 1bxr h LEU 37 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1bxr h LEU 37 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1bxr h LEU 37 CO -0.35 0.38 -0.01 -0.09 0.09 0.00 0.00 178.44 178.46 1bxr h ARG 38 N 0.00 0.01 -0.83 1.13 2.43 -1.05 0.14 114.38 116.21 1bxr h ARG 38 Ca -0.00 -0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.40 1bxr h ARG 38 Cb 0.89 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1bxr h ARG 38 CO 0.05 0.75 0.69 0.93 -1.51 0.00 0.00 179.97 180.88 1bxr h GLU 39 N -0.72 0.00 -0.03 0.20 5.08 -1.30 0.32 114.58 118.13 1bxr h GLU 39 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bxr h GLU 39 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1bxr h GLU 39 CO 0.00 0.00 -0.03 0.39 -1.00 0.00 0.00 179.01 178.37 1bxr n GLU 40 N -3.95 2.17 -1.79 2.33 -0.58 -1.16 -4.98 120.64 112.68 1bxr n GLU 40 Ca 0.17 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.17 1bxr n GLU 40 Cb 0.98 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1bxr n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bxr n GLY 41 N 1.33 0.62 3.41 0.62 0.00 0.11 -5.08 105.19 106.21 1bxr n GLY 41 Ca 0.14 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1bxr n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 42 N -2.71 2.37 -0.37 1.61 2.02 0.48 -5.01 117.35 115.74 1bxr s TYR 42 Ca 0.00 -0.35 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 1bxr s TYR 42 Cb 0.00 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1bxr s TYR 42 CO 0.00 0.33 0.86 0.50 -1.57 0.00 0.00 175.55 175.67 1bxr s ARG 43 N -1.98 3.79 -0.31 -0.62 3.52 0.35 -4.38 118.95 119.32 1bxr s ARG 43 Ca 0.15 0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 56.04 1bxr s ARG 43 Cb -0.10 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1bxr s ARG 43 CO 0.06 -0.92 0.33 0.08 -0.81 0.00 0.00 175.30 174.05 1bxr s VAL 44 N 3.32 5.20 -0.14 7.11 1.01 -1.26 0.10 120.40 135.73 1bxr s VAL 44 Ca 0.35 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 1bxr s VAL 44 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1bxr s VAL 44 CO 0.18 0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 1bxr s ILE 45 N 1.98 3.45 -0.02 2.22 1.01 0.53 -0.47 121.20 129.91 1bxr s ILE 45 Ca 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1bxr s ILE 45 Cb -0.16 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1bxr s ILE 45 CO 0.11 0.51 0.11 -1.48 0.00 0.00 0.00 174.94 174.20 1bxr s LEU 46 N 0.33 1.62 -0.16 2.97 2.34 0.53 0.26 118.68 126.56 1bxr s LEU 46 Ca -0.07 -0.05 0.01 0.00 0.06 0.00 0.00 54.13 54.07 1bxr s LEU 46 Cb -0.15 0.51 0.01 0.00 -0.56 0.00 0.00 46.19 46.00 1bxr s LEU 46 CO 0.04 -0.23 -0.18 0.54 -1.06 0.00 0.00 176.35 175.46 1bxr s VAL 47 N -0.81 2.33 -0.25 1.48 0.11 -0.64 0.24 120.40 122.86 1bxr s VAL 47 Ca -0.09 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.03 1bxr s VAL 47 Cb -0.05 -1.97 0.13 0.00 -1.53 0.00 0.00 36.38 32.95 1bxr s VAL 47 CO 0.01 0.53 0.49 0.21 -3.33 0.00 0.00 175.10 173.01 1bxr s ASN 48 N 1.01 -0.54 0.23 3.54 3.84 -0.57 -0.75 114.94 121.70 1bxr s ASN 48 Ca -0.02 0.92 0.24 0.00 0.21 0.00 0.00 52.86 54.21 1bxr s ASN 48 Cb -0.15 1.65 0.93 0.00 -0.55 0.00 0.00 41.25 43.14 1bxr s ASN 48 CO -0.05 -0.25 1.72 -1.54 -2.79 0.00 0.00 177.10 174.19 1bxr n SER 49 N 5.40 0.66 -4.66 -4.21 3.41 -1.20 -4.07 113.62 108.94 1bxr n SER 49 Ca -0.07 0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 1bxr n SER 49 Cb 0.50 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1bxr n SER 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bxr s ASN 50 N -4.22 7.09 0.25 4.04 2.47 -1.26 -1.29 114.94 122.01 1bxr s ASN 50 Ca 0.06 1.43 0.17 0.00 0.42 0.00 0.00 52.86 54.94 1bxr s ASN 50 Cb 0.10 -2.54 0.06 0.00 -1.45 0.00 0.00 41.25 37.42 1bxr s ASN 50 CO 0.43 -0.67 1.31 1.55 -3.72 0.00 0.00 177.10 176.00 1bxr h PRO 51 N 7.52 0.00 -0.93 0.43 0.13 -1.85 -3.34 132.00 133.96 1bxr h PRO 51 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1bxr h PRO 51 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1bxr h PRO 51 CO 0.97 0.34 0.00 0.00 -0.23 0.00 0.00 178.00 179.08 1bxr n ALA 52 N -2.24 2.72 -2.71 -0.56 0.00 -1.26 -4.60 120.51 111.86 1bxr n ALA 52 Ca -0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 1bxr n ALA 52 Cb 0.71 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1bxr n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bxr s THR 53 N -1.28 4.39 0.38 0.00 -4.23 -1.25 -4.42 115.64 109.23 1bxr s THR 53 Ca 0.08 -0.39 0.10 0.00 -1.18 0.00 0.00 61.69 60.31 1bxr s THR 53 Cb 0.06 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 71.12 1bxr s THR 53 CO 0.02 0.47 1.89 0.40 -0.54 0.00 0.00 174.62 176.86 1bxr h ILE 54 N 3.73 1.20 -0.11 2.99 1.08 -1.90 -2.44 117.51 122.06 1bxr h ILE 54 Ca -0.50 -0.92 0.03 0.00 -0.39 0.00 0.00 64.86 63.08 1bxr h ILE 54 Cb 1.19 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1bxr h ILE 54 CO 0.57 0.28 0.12 0.00 -0.69 0.00 0.00 178.15 178.43 1bxr h MET 55 N 0.16 0.00 -0.42 2.37 -0.00 -1.93 0.19 114.93 115.30 1bxr h MET 55 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1bxr h MET 55 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1bxr h MET 55 CO 0.03 0.00 0.00 0.25 -0.00 0.00 0.00 176.91 177.19 1bxr n THR 56 N -3.82 0.60 -2.14 -0.10 -2.24 -0.92 -4.71 114.28 100.95 1bxr n THR 56 Ca -0.00 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1bxr n THR 56 Cb 0.23 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1bxr n THR 56 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bxr s ASP 57 N -0.91 6.80 0.31 3.42 1.01 0.68 -4.87 116.67 123.11 1bxr s ASP 57 Ca 0.24 2.53 0.03 0.00 0.71 0.00 0.00 52.55 56.07 1bxr s ASP 57 Cb 0.14 -2.62 0.63 0.00 1.01 0.00 0.00 42.92 42.07 1bxr s ASP 57 CO 0.15 -0.58 1.86 1.55 0.21 0.00 0.00 175.17 178.36 1bxr h PRO 58 N 4.92 0.89 0.00 8.23 0.14 -1.89 -0.47 132.00 143.82 1bxr h PRO 58 Ca -0.46 -0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.63 1bxr h PRO 58 Cb 1.22 -0.20 0.00 0.00 0.14 0.00 0.00 31.00 32.16 1bxr h PRO 58 CO 0.75 0.59 0.00 -0.85 0.14 0.00 0.00 178.00 178.63 1bxr n GLU 59 N -4.59 0.22 0.16 0.86 0.28 -1.26 -3.25 120.64 113.06 1bxr n GLU 59 Ca 0.18 0.38 0.04 0.00 -0.16 0.00 0.00 57.16 57.60 1bxr n GLU 59 Cb 0.37 -1.87 0.08 0.00 1.43 0.00 0.00 31.44 31.45 1bxr n GLU 59 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1bxr h MET 60 N 0.00 0.00 -3.99 3.44 2.86 -1.38 -3.47 114.93 112.39 1bxr h MET 60 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1bxr h MET 60 Cb 0.47 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.02 1bxr h MET 60 CO 0.00 0.41 -0.33 0.00 1.06 0.00 0.00 176.91 178.05 1bxr s ALA 61 N -3.06 0.23 -0.03 6.32 0.00 -1.20 -4.65 121.76 119.37 1bxr s ALA 61 Ca 0.04 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 1bxr s ALA 61 Cb 0.07 1.08 -0.21 0.00 0.00 0.00 0.00 23.12 24.07 1bxr s ALA 61 CO 0.72 -0.71 1.14 -0.44 0.00 0.00 0.00 175.76 176.48 1bxr h ASP 62 N 2.46 0.21 -3.28 0.00 3.32 -1.36 -3.42 116.42 114.35 1bxr h ASP 62 Ca -0.31 -0.66 -0.52 0.00 0.02 0.00 0.00 57.03 55.56 1bxr h ASP 62 Cb 1.24 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 1bxr h ASP 62 CO 0.45 0.84 -0.76 0.00 -1.72 0.00 0.00 179.24 178.04 1bxr s ALA 63 N -3.59 1.05 -0.23 3.45 0.00 0.38 -4.86 121.76 117.95 1bxr s ALA 63 Ca -0.16 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1bxr s ALA 63 Cb 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1bxr s ALA 63 CO 0.73 -1.19 0.06 0.99 0.00 0.00 0.00 175.76 176.36 1bxr s THR 64 N 1.84 4.43 -0.38 0.00 2.01 -1.26 -0.35 115.64 121.92 1bxr s THR 64 Ca -0.01 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1bxr s THR 64 Cb -0.17 -3.04 0.08 0.00 0.01 0.00 0.00 72.50 69.37 1bxr s THR 64 CO -0.08 0.37 0.16 -0.31 -0.69 0.00 0.00 174.62 174.07 1bxr s TYR 65 N 1.25 3.42 -1.18 4.92 2.02 0.14 0.38 117.35 128.29 1bxr s TYR 65 Ca 0.05 -1.96 -0.13 0.00 -0.37 0.00 0.00 57.07 54.65 1bxr s TYR 65 Cb -0.15 -2.81 0.18 0.00 -0.40 0.00 0.00 41.96 38.79 1bxr s TYR 65 CO 0.03 -0.88 1.38 0.42 -1.57 0.00 0.00 175.55 174.94 1bxr s ILE 66 N 1.27 5.13 0.13 2.71 1.01 -1.26 -1.51 121.20 128.68 1bxr s ILE 66 Ca 0.03 -2.67 0.04 0.00 0.00 0.00 0.00 60.65 58.04 1bxr s ILE 66 Cb -0.22 -4.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.34 1bxr s ILE 66 CO -0.01 -1.56 -0.10 -1.61 0.00 0.00 0.00 174.94 171.65 1bxr s GLU 67 N 1.31 1.00 0.27 2.79 0.41 -1.26 -4.65 118.70 118.57 1bxr s GLU 67 Ca 0.41 -1.38 -0.30 0.00 -0.41 0.00 0.00 54.97 53.29 1bxr s GLU 67 Cb -0.04 -0.58 -0.14 0.00 -1.78 0.00 0.00 34.13 31.60 1bxr s GLU 67 CO -0.01 0.07 1.25 -2.30 -0.49 0.00 0.00 175.26 173.77 1bxr n PRO 68 N -0.01 1.77 -2.39 0.39 -0.01 -1.26 -3.26 135.00 130.23 1bxr n PRO 68 Ca -0.12 0.63 -0.43 0.00 -0.01 0.00 0.00 63.50 63.57 1bxr n PRO 68 Cb 0.60 -2.17 0.00 0.00 -0.01 0.00 0.00 33.50 31.92 1bxr n PRO 68 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 1bxr n ILE 69 N 1.02 4.20 -5.01 4.25 5.41 -1.26 -4.68 119.36 123.29 1bxr n ILE 69 Ca 0.10 -4.27 -0.32 0.00 1.00 0.00 0.00 62.75 59.25 1bxr n ILE 69 Cb 0.32 -2.41 -0.15 0.00 -0.71 0.00 0.00 39.64 36.69 1bxr n ILE 69 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1bxr s HIS 70 N 1.15 2.65 0.32 1.39 2.46 -1.26 -5.03 115.29 116.97 1bxr s HIS 70 Ca 0.42 -0.70 0.10 0.00 0.47 0.00 0.00 55.06 55.35 1bxr s HIS 70 Cb 0.08 -1.73 0.91 0.00 -0.13 0.00 0.00 32.58 31.71 1bxr s HIS 70 CO -0.00 -0.21 1.72 0.11 -2.47 0.00 0.00 174.74 173.89 1bxr h TRP 71 N 6.38 1.00 -0.32 3.88 5.08 -1.91 0.24 115.95 130.30 1bxr h TRP 71 Ca -0.28 0.04 0.02 0.00 1.08 0.00 0.00 58.89 59.75 1bxr h TRP 71 Cb 1.20 -0.29 -0.03 0.00 -3.00 0.00 0.00 29.16 27.05 1bxr h TRP 71 CO 0.48 0.04 0.16 0.93 -1.28 0.00 0.00 178.44 178.76 1bxr h GLU 72 N 0.55 0.32 -0.74 0.12 5.08 -1.96 0.28 114.58 118.23 1bxr h GLU 72 Ca 0.65 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.93 1bxr h GLU 72 Cb 1.28 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1bxr h GLU 72 CO -0.48 0.21 0.23 0.28 -1.00 0.00 0.00 179.01 178.24 1bxr h VAL 73 N 0.33 1.26 -0.21 3.13 2.07 -0.91 -2.63 116.25 119.29 1bxr h VAL 73 Ca 0.14 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1bxr h VAL 73 Cb 0.05 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1bxr h VAL 73 CO -0.10 0.36 -0.35 0.58 0.02 0.00 0.00 177.57 178.09 1bxr h VAL 74 N 1.10 1.29 -0.87 2.57 2.07 -0.54 -2.26 116.25 119.61 1bxr h VAL 74 Ca 0.24 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1bxr h VAL 74 Cb 0.31 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1bxr h VAL 74 CO -0.01 0.45 0.57 -0.09 0.02 0.00 0.00 177.57 178.51 1bxr h ARG 75 N 0.39 1.06 -0.52 1.57 2.43 -0.10 0.35 114.38 119.56 1bxr h ARG 75 Ca 0.04 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1bxr h ARG 75 Cb 0.79 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1bxr h ARG 75 CO 0.06 0.70 -0.02 0.87 -1.51 0.00 0.00 179.97 180.07 1bxr h LYS 76 N 1.09 0.91 -0.63 0.20 1.79 -1.18 0.11 116.57 118.86 1bxr h LYS 76 Ca 0.34 -0.28 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1bxr h LYS 76 Cb 0.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 1bxr h LYS 76 CO -0.10 0.92 0.18 0.82 -1.08 0.00 0.00 179.45 180.19 1bxr h ILE 77 N 0.83 1.24 0.10 1.86 2.04 -0.95 0.19 117.51 122.82 1bxr h ILE 77 Ca 0.15 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1bxr h ILE 77 Cb 0.53 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1bxr h ILE 77 CO 0.03 0.32 -0.05 0.40 0.00 0.00 0.00 178.15 178.85 1bxr h ILE 78 N 0.92 1.09 -0.56 -0.67 2.04 -0.44 0.55 117.51 120.44 1bxr h ILE 78 Ca 0.20 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.40 1bxr h ILE 78 Cb 0.29 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 1bxr h ILE 78 CO -0.01 0.18 0.13 -0.08 0.00 0.00 0.00 178.15 178.38 1bxr h GLU 79 N -0.49 0.26 0.00 2.37 4.81 -0.83 1.42 114.58 122.13 1bxr h GLU 79 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1bxr h GLU 79 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1bxr h GLU 79 CO 0.02 0.17 -0.33 -0.22 -0.73 0.00 0.00 179.01 177.93 1bxr h LYS 80 N 0.27 0.00 0.00 1.92 3.64 -0.47 -3.34 116.57 118.60 1bxr h LYS 80 Ca 0.29 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1bxr h LYS 80 Cb 0.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1bxr h LYS 80 CO -0.36 0.33 -1.86 0.39 -2.27 0.00 0.00 179.45 175.67 1bxr n GLU 81 N -3.29 1.08 -3.55 1.90 -0.58 0.19 -5.02 120.64 111.38 1bxr n GLU 81 Ca 0.01 -0.07 -0.26 0.00 -0.42 0.00 0.00 57.16 56.42 1bxr n GLU 81 Cb 0.58 -1.37 0.05 0.00 -0.57 0.00 0.00 31.44 30.13 1bxr n GLU 81 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bxr n ARG 82 N -2.30 -1.49 -2.43 3.49 5.12 0.48 -4.92 116.66 114.61 1bxr n ARG 82 Ca -0.14 0.60 -0.33 0.00 -1.93 0.00 0.00 57.85 56.05 1bxr n ARG 82 Cb 0.70 -4.59 -0.03 0.00 -1.16 0.00 0.00 32.46 27.39 1bxr n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1bxr s PRO 83 N -5.47 3.75 -0.04 5.56 0.04 -1.26 -4.94 135.00 132.65 1bxr s PRO 83 Ca 0.46 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.66 1bxr s PRO 83 Cb -0.13 -2.10 -0.29 0.00 0.04 0.00 0.00 34.50 32.02 1bxr s PRO 83 CO 0.83 -0.46 0.71 -0.44 0.04 0.00 0.00 177.00 177.68 1bxr h ASP 84 N 1.21 0.50 -5.27 6.66 3.32 -1.70 -3.40 116.42 117.74 1bxr h ASP 84 Ca -0.48 -0.76 -0.17 0.00 0.02 0.00 0.00 57.03 55.64 1bxr h ASP 84 Cb 1.21 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1bxr h ASP 84 CO 0.59 1.64 -0.66 0.00 -1.72 0.00 0.00 179.24 179.09 1bxr s ALA 85 N -2.59 0.80 -0.06 3.45 0.00 -0.93 -0.54 121.76 121.89 1bxr s ALA 85 Ca -0.13 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1bxr s ALA 85 Cb 0.06 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1bxr s ALA 85 CO 0.85 -0.43 -0.05 0.54 0.00 0.00 0.00 175.76 176.66 1bxr s VAL 86 N -3.97 0.65 -0.39 0.00 0.11 0.19 -0.81 120.40 116.18 1bxr s VAL 86 Ca 0.19 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 1bxr s VAL 86 Cb 0.07 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1bxr s VAL 86 CO -0.02 0.26 0.21 -0.22 -3.33 0.00 0.00 175.10 172.01 1bxr s LEU 87 N 1.07 4.90 0.00 2.54 2.96 -0.55 -0.75 118.68 128.85 1bxr s LEU 87 Ca -0.08 -1.37 0.23 0.00 -0.22 0.00 0.00 54.13 52.69 1bxr s LEU 87 Cb -0.14 -1.96 0.49 0.00 0.50 0.00 0.00 46.19 45.07 1bxr s LEU 87 CO -0.01 -0.47 1.44 -0.81 -1.32 0.00 0.00 176.35 175.19 1bxr n PRO 88 N 4.89 2.56 -0.01 0.98 -0.04 -1.25 -2.94 135.00 139.19 1bxr n PRO 88 Ca -0.11 -2.37 0.13 0.00 -0.04 0.00 0.00 63.50 61.11 1bxr n PRO 88 Cb 0.44 -1.53 0.35 0.00 -0.04 0.00 0.00 33.50 32.72 1bxr n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1bxr n THR 89 N 1.53 0.04 -0.90 0.52 -2.24 -1.26 -3.74 114.28 108.23 1bxr n THR 89 Ca 0.21 -0.36 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1bxr n THR 89 Cb 0.61 0.86 0.27 0.00 -2.10 0.00 0.00 70.33 69.97 1bxr n THR 89 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1bxr n MET 90 N 0.65 3.16 -2.05 -0.78 2.81 -1.26 -3.16 117.12 116.49 1bxr n MET 90 Ca 0.17 -2.81 -0.02 0.00 -1.81 0.00 0.00 57.70 53.23 1bxr n MET 90 Cb 0.45 -1.84 0.05 0.00 -0.71 0.00 0.00 33.22 31.18 1bxr n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bxr n GLY 91 N -0.24 2.72 7.00 3.03 0.00 -1.23 -3.77 105.19 112.70 1bxr n GLY 91 Ca 0.21 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1bxr n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 92 N -0.36 1.01 0.09 -0.02 0.00 -1.26 -2.11 105.19 102.54 1bxr n GLY 92 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1bxr n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bxr h GLN 93 N 0.00 0.05 -0.63 1.61 5.75 -1.95 -2.64 115.11 117.30 1bxr h GLN 93 Ca 0.00 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1bxr h GLN 93 Cb 0.00 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1bxr h GLN 93 CO 0.00 0.94 0.38 1.15 -2.65 0.00 0.00 178.83 178.64 1bxr h THR 94 N 0.02 1.05 -0.20 2.39 2.02 -1.85 0.63 112.91 116.97 1bxr h THR 94 Ca -0.02 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 1bxr h THR 94 Cb 1.62 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1bxr h THR 94 CO 0.13 0.13 -0.66 0.00 0.37 0.00 0.00 175.52 175.49 1bxr h ALA 95 N 1.28 0.44 0.58 6.16 0.00 -1.42 -0.68 119.26 125.63 1bxr h ALA 95 Ca 0.26 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1bxr h ALA 95 Cb 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bxr h ALA 95 CO -0.12 0.69 -0.28 -0.07 0.00 0.00 0.00 179.25 179.47 1bxr h LEU 96 N 0.56 -0.66 -0.91 0.00 3.38 -1.03 -0.92 115.31 115.73 1bxr h LEU 96 Ca -0.02 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1bxr h LEU 96 Cb 1.27 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1bxr h LEU 96 CO 0.14 -0.41 0.53 0.78 0.09 0.00 0.00 178.44 179.57 1bxr h ASN 97 N -0.89 0.75 -0.36 -0.43 2.35 0.24 -2.12 115.58 115.13 1bxr h ASN 97 Ca -0.08 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1bxr h ASN 97 Cb 0.64 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1bxr h ASN 97 CO 0.13 0.39 -0.21 0.00 -1.65 0.00 0.00 177.43 176.09 1bxr h ALA 99 N 0.78 1.48 0.00 0.00 0.00 -0.73 -1.43 119.26 119.36 1bxr h ALA 99 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 99 Cb 0.77 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bxr h ALA 99 CO 0.06 0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 179.51 1bxr h LEU 100 N 1.01 0.00 0.06 0.00 4.07 -1.25 -2.50 115.31 116.71 1bxr h LEU 100 Ca 0.30 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.99 1bxr h LEU 100 Cb -0.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.70 1bxr h LEU 100 CO -0.08 0.18 -1.19 -0.08 -1.08 0.00 0.00 178.44 176.20 1bxr h GLU 101 N 0.00 0.32 -0.31 1.13 4.57 -0.54 -2.04 114.58 117.71 1bxr h GLU 101 Ca -0.00 -0.49 -0.09 0.00 -1.18 0.00 0.00 59.36 57.60 1bxr h GLU 101 Cb 0.98 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 1bxr h GLU 101 CO 0.02 1.21 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.82 1bxr h LEU 102 N 0.12 0.55 0.10 1.64 3.38 -1.31 0.38 115.31 120.16 1bxr h LEU 102 Ca -0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1bxr h LEU 102 Cb 1.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1bxr h LEU 102 CO 0.20 0.74 -0.05 -0.08 0.09 0.00 0.00 178.44 179.34 1bxr h GLU 103 N 0.50 -0.13 -0.62 1.13 4.57 -1.48 0.19 114.58 118.76 1bxr h GLU 103 Ca 0.08 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1bxr h GLU 103 Cb 0.59 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1bxr h GLU 103 CO 0.04 0.39 0.34 -0.09 -1.18 0.00 0.00 179.01 178.50 1bxr h ARG 104 N -0.80 0.61 0.00 1.92 2.43 -1.33 0.34 114.38 117.55 1bxr h ARG 104 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1bxr h ARG 104 Cb 0.58 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1bxr h ARG 104 CO 0.02 0.40 0.00 1.04 -1.51 0.00 0.00 179.97 179.93 1bxr n GLN 105 N -4.82 0.30 -1.25 0.20 1.13 0.13 -4.86 117.38 108.22 1bxr n GLN 105 Ca 0.07 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.15 1bxr n GLN 105 Cb 0.16 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.97 1bxr n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxr n GLY 106 N 0.18 1.02 0.11 1.08 0.00 0.11 -4.88 105.19 102.81 1bxr n GLY 106 Ca 0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1bxr n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bxr h VAL 107 N 0.00 1.35 -0.07 1.61 2.07 -0.84 -0.37 116.25 120.01 1bxr h VAL 107 Ca -0.17 -2.62 -0.18 0.00 0.82 0.00 0.00 66.70 64.55 1bxr h VAL 107 Cb 0.59 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1bxr h VAL 107 CO 0.25 0.71 -0.72 -0.07 0.02 0.00 0.00 177.57 177.76 1bxr h LEU 108 N 0.00 0.41 -0.00 2.57 3.38 -1.78 -2.76 115.31 117.12 1bxr h LEU 108 Ca -0.01 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 1bxr h LEU 108 Cb 1.42 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 42.07 1bxr h LEU 108 CO 0.09 1.00 -0.92 -0.08 0.09 0.00 0.00 178.44 178.62 1bxr h GLU 109 N 0.23 0.63 0.00 1.13 4.57 -1.82 -1.69 114.58 117.63 1bxr h GLU 109 Ca -0.03 -0.67 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1bxr h GLU 109 Cb 1.29 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1bxr h GLU 109 CO 0.12 1.27 0.00 -1.91 -1.18 0.00 0.00 179.01 177.31 1bxr n GLU 110 N -3.96 0.03 -0.46 1.92 2.13 -0.16 -2.86 120.64 117.28 1bxr n GLU 110 Ca -0.11 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1bxr n GLU 110 Cb 0.82 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.03 1bxr n GLU 110 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1bxr n PHE 111 N -1.32 0.00 -3.82 4.31 3.01 -1.05 -5.02 117.46 113.56 1bxr n PHE 111 Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.23 1bxr n PHE 111 Cb 0.02 0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1bxr n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bxr n GLY 112 N 0.00 -0.27 3.54 1.37 0.00 -1.10 -4.83 105.19 103.90 1bxr n GLY 112 Ca 0.00 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1bxr n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 113 N -3.78 5.25 -0.20 1.61 1.01 -0.65 -4.63 120.40 119.01 1bxr s VAL 113 Ca 0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1bxr s VAL 113 Cb -0.02 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1bxr s VAL 113 CO 0.85 -0.02 0.48 -0.89 0.00 0.00 0.00 175.10 175.51 1bxr s THR 114 N 1.81 5.13 -0.42 3.92 2.01 0.30 -4.75 115.64 123.66 1bxr s THR 114 Ca 0.08 0.87 -0.28 0.00 0.31 0.00 0.00 61.69 62.68 1bxr s THR 114 Cb -0.17 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1bxr s THR 114 CO 0.11 0.20 1.03 -0.32 -0.69 0.00 0.00 174.62 174.95 1bxr s MET 115 N 1.55 3.78 0.34 4.92 1.75 -1.26 -0.64 119.30 129.74 1bxr s MET 115 Ca 0.22 0.59 0.08 0.00 -1.25 0.00 0.00 55.69 55.34 1bxr s MET 115 Cb -0.15 -3.85 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 1bxr s MET 115 CO 0.09 -1.15 0.14 0.96 -0.65 0.00 0.00 175.02 174.41 1bxr s ILE 116 N 3.92 3.05 0.00 10.11 -4.36 0.07 -4.68 121.20 129.32 1bxr s ILE 116 Ca 0.43 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1bxr s ILE 116 Cb -0.10 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1bxr s ILE 116 CO 0.24 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.84 1bxr n GLY 117 N -1.15 2.69 3.39 6.27 0.00 -1.26 -3.93 105.19 111.20 1bxr n GLY 117 Ca -0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1bxr n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 118 N 0.00 0.80 0.19 4.61 0.00 -1.26 -4.16 121.76 121.93 1bxr s ALA 118 Ca 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 51.96 50.56 1bxr s ALA 118 Cb 0.00 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 1bxr s ALA 118 CO 0.00 -0.72 -0.10 0.95 0.00 0.00 0.00 175.76 175.89 1bxr s THR 119 N -3.71 3.16 0.44 0.00 -4.23 -1.26 -4.87 115.64 105.16 1bxr s THR 119 Ca 0.33 -1.70 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 1bxr s THR 119 Cb 0.02 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.62 1bxr s THR 119 CO 0.16 -0.13 1.99 0.00 -0.54 0.00 0.00 174.62 176.10 1bxr h ALA 120 N 2.86 2.00 -0.08 3.99 0.00 -1.98 0.22 119.26 126.27 1bxr h ALA 120 Ca -0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1bxr h ALA 120 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bxr h ALA 120 CO 0.54 -0.13 -0.16 0.22 0.00 0.00 0.00 179.25 179.73 1bxr h ASP 121 N 0.40 0.28 -0.79 0.00 3.58 -1.96 -1.50 116.42 116.43 1bxr h ASP 121 Ca 0.26 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 57.17 1bxr h ASP 121 Cb 0.50 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1bxr h ASP 121 CO -0.07 0.79 0.52 0.00 -2.88 0.00 0.00 179.24 177.59 1bxr h ALA 122 N 0.50 1.01 -0.59 -0.78 0.00 -1.59 0.31 119.26 118.12 1bxr h ALA 122 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1bxr h ALA 122 Cb 0.74 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1bxr h ALA 122 CO 0.04 0.38 0.33 0.82 0.00 0.00 0.00 179.25 180.82 1bxr h ILE 123 N 1.04 1.19 -0.25 0.00 2.04 -0.55 -2.41 117.51 118.57 1bxr h ILE 123 Ca 0.30 -0.46 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 1bxr h ILE 123 Cb -0.08 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1bxr h ILE 123 CO -0.08 0.20 -0.52 -0.78 0.00 0.00 0.00 178.15 176.98 1bxr h ASP 124 N 0.80 0.79 -0.09 1.72 3.58 -0.75 -1.00 116.42 121.48 1bxr h ASP 124 Ca 0.21 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.28 1bxr h ASP 124 Cb 0.03 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 1bxr h ASP 124 CO -0.04 1.16 0.07 0.50 -2.88 0.00 0.00 179.24 178.06 1bxr h LYS 125 N 0.56 0.00 0.00 0.28 3.64 -0.09 0.39 116.57 121.35 1bxr h LYS 125 Ca 0.02 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.03 1bxr h LYS 125 Cb 1.09 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 1bxr h LYS 125 CO 0.11 0.00 -2.36 0.00 -2.27 0.00 0.00 179.45 174.92 1bxr n ALA 126 N -2.48 1.49 0.08 5.00 0.00 -0.93 -2.38 120.51 121.29 1bxr n ALA 126 Ca -0.01 -1.28 -0.14 0.00 0.00 0.00 0.00 53.44 52.01 1bxr n ALA 126 Cb 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 1bxr n ALA 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bxr h GLU 127 N 0.00 0.35 -6.52 0.00 4.39 -0.95 -3.42 114.58 108.43 1bxr h GLU 127 Ca -0.54 -0.44 -0.56 0.00 0.34 0.00 0.00 59.36 58.16 1bxr h GLU 127 Cb 2.20 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 30.94 1bxr h GLU 127 CO 0.02 1.14 1.07 0.34 -1.16 0.00 0.00 179.01 180.42 1bxr s ASP 128 N -7.10 6.31 0.54 1.42 -1.08 0.11 -2.66 116.67 114.20 1bxr s ASP 128 Ca -0.05 0.72 0.36 0.00 -0.52 0.00 0.00 52.55 53.06 1bxr s ASP 128 Cb 0.08 -2.54 1.84 0.00 -1.46 0.00 0.00 42.92 40.84 1bxr s ASP 128 CO 0.87 -1.47 2.09 0.03 0.52 0.00 0.00 175.17 177.21 1bxr h ARG 129 N 10.72 0.00 0.02 4.34 3.08 -1.87 -2.15 114.38 128.52 1bxr h ARG 129 Ca -0.27 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.58 1bxr h ARG 129 Cb 1.10 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.17 1bxr h ARG 129 CO 1.10 0.00 -0.80 -0.09 -1.07 0.00 0.00 179.97 179.11 1bxr h ARG 130 N 0.00 0.50 -0.34 0.04 2.43 -1.93 -2.81 114.38 112.27 1bxr h ARG 130 Ca 0.00 -0.57 -0.06 0.00 -0.81 0.00 0.00 59.98 58.54 1bxr h ARG 130 Cb 0.13 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1bxr h ARG 130 CO 0.00 1.20 -0.02 0.00 -1.51 0.00 0.00 179.97 179.64 1bxr h ARG 131 N 0.05 0.62 -0.36 0.20 3.08 -1.72 -2.57 114.38 113.67 1bxr h ARG 131 Ca -0.11 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.77 1bxr h ARG 131 Cb 1.50 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 1bxr h ARG 131 CO 0.16 0.75 0.13 0.35 -1.07 0.00 0.00 179.97 180.29 1bxr h PHE 132 N 0.42 0.24 -0.60 3.04 3.57 -1.02 0.11 116.94 122.69 1bxr h PHE 132 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1bxr h PHE 132 Cb 0.49 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1bxr h PHE 132 CO 0.04 0.11 0.32 0.22 -2.23 0.00 0.00 178.31 176.77 1bxr h ASP 133 N 0.29 0.48 -0.61 0.41 3.58 -1.36 -0.27 116.42 118.94 1bxr h ASP 133 Ca 0.16 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 1bxr h ASP 133 Cb 0.13 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1bxr h ASP 133 CO -0.16 0.32 0.11 0.58 -2.88 0.00 0.00 179.24 177.21 1bxr h VAL 134 N 0.61 1.26 -0.58 2.25 2.07 -1.03 -2.18 116.25 118.65 1bxr h VAL 134 Ca 0.27 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1bxr h VAL 134 Cb 0.16 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1bxr h VAL 134 CO -0.17 0.37 0.36 0.00 0.02 0.00 0.00 177.57 178.15 1bxr h ALA 135 N 1.02 0.74 -0.80 1.67 0.00 -0.07 -1.38 119.26 120.45 1bxr h ALA 135 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1bxr h ALA 135 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1bxr h ALA 135 CO 0.01 0.11 0.42 0.52 0.00 0.00 0.00 179.25 180.32 1bxr h MET 136 N 0.73 1.12 -0.64 0.00 2.07 -0.70 -2.23 114.93 115.28 1bxr h MET 136 Ca 0.22 -0.14 -0.02 0.00 -2.07 0.00 0.00 59.70 57.70 1bxr h MET 136 Cb -0.02 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.46 1bxr h MET 136 CO -0.08 0.84 0.32 -0.22 1.07 0.00 0.00 176.91 178.85 1bxr h LYS 137 N 1.11 0.90 -0.10 1.72 1.63 -0.75 -0.12 116.57 120.97 1bxr h LYS 137 Ca 0.28 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1bxr h LYS 137 Cb 0.06 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1bxr h LYS 137 CO -0.04 0.68 0.04 -0.22 -3.45 0.00 0.00 179.45 176.46 1bxr h LYS 138 N 0.90 0.14 0.00 1.90 3.64 -0.74 -2.57 116.57 119.85 1bxr h LYS 138 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1bxr h LYS 138 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1bxr h LYS 138 CO -0.03 0.24 0.00 0.44 -2.27 0.00 0.00 179.45 177.82 1bxr n ILE 139 N -4.94 0.00 -1.07 2.00 -5.35 -0.86 -4.87 119.36 104.28 1bxr n ILE 139 Ca -0.06 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.40 1bxr n ILE 139 Cb 0.10 -0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 37.48 1bxr n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxr n GLY 140 N 0.43 0.57 3.89 3.28 0.00 -0.51 -5.02 105.19 107.84 1bxr n GLY 140 Ca 0.14 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1bxr n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 141 N -0.55 4.28 0.01 0.99 1.43 -0.17 -5.00 118.68 119.66 1bxr s LEU 141 Ca 0.00 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 1bxr s LEU 141 Cb 0.00 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 1bxr s LEU 141 CO 0.00 0.08 0.47 -0.70 0.23 0.00 0.00 176.35 176.42 1bxr s GLU 142 N -2.53 4.05 0.28 1.70 2.12 -1.26 -4.02 118.70 119.03 1bxr s GLU 142 Ca 0.39 0.53 0.08 0.00 0.36 0.00 0.00 54.97 56.33 1bxr s GLU 142 Cb -0.12 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1bxr s GLU 142 CO 0.24 0.63 -0.10 0.95 -0.54 0.00 0.00 175.26 176.43 1bxr s THR 143 N -0.94 1.90 0.68 -1.70 -4.23 -1.26 0.26 115.64 110.34 1bxr s THR 143 Ca 0.26 -2.20 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1bxr s THR 143 Cb -0.17 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 1bxr s THR 143 CO 0.15 -0.36 1.05 0.00 -0.54 0.00 0.00 174.62 174.92 1bxr s ALA 144 N -2.86 2.79 0.05 3.99 0.00 -1.26 -4.94 121.76 119.54 1bxr s ALA 144 Ca 0.29 0.04 -0.32 0.00 0.00 0.00 0.00 51.96 51.96 1bxr s ALA 144 Cb 0.01 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1bxr s ALA 144 CO 0.12 -1.09 1.83 -2.13 0.00 0.00 0.00 175.76 174.49 1bxr n ARG 145 N -3.03 2.50 -4.25 0.00 0.63 -1.26 -4.84 116.66 106.40 1bxr n ARG 145 Ca 0.07 0.91 -0.19 0.00 -0.92 0.00 0.00 57.85 57.73 1bxr n ARG 145 Cb 0.54 -2.78 -0.07 0.00 0.45 0.00 0.00 32.46 30.59 1bxr n ARG 145 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1bxr s SER 146 N 3.10 1.60 -0.02 6.15 1.04 -1.26 -0.67 113.70 123.64 1bxr s SER 146 Ca 0.86 -1.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 1bxr s SER 146 Cb -0.57 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1bxr s SER 146 CO 0.43 -1.11 0.35 -0.83 0.98 0.00 0.00 173.24 173.06 1bxr s GLY 147 N -3.36 -0.20 -0.12 7.32 0.00 0.13 -4.95 107.32 106.14 1bxr s GLY 147 Ca 0.39 0.44 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 1bxr s GLY 147 CO 0.27 0.21 0.06 -0.42 0.00 0.00 0.00 173.10 173.22 1bxr s ILE 148 N -1.33 4.82 -0.01 0.90 -1.09 -1.26 -0.88 121.20 122.36 1bxr s ILE 148 Ca -0.13 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1bxr s ILE 148 Cb -0.05 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1bxr s ILE 148 CO 0.05 0.58 -0.02 0.00 -1.23 0.00 0.00 174.94 174.31 1bxr s ALA 149 N -0.63 0.23 -0.24 9.38 0.00 -0.70 -4.88 121.76 124.93 1bxr s ALA 149 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1bxr s ALA 149 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1bxr s ALA 149 CO 0.02 0.03 0.25 0.72 0.00 0.00 0.00 175.76 176.79 1bxr n HIS 150 N 3.20 0.00 -4.14 0.00 8.25 -1.26 -1.21 115.22 120.07 1bxr n HIS 150 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 1bxr n HIS 150 Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 1bxr n HIS 150 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1bxr s THR 151 N -1.11 0.06 0.18 1.59 -4.23 -1.26 -4.90 115.64 105.97 1bxr s THR 151 Ca 0.02 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 1bxr s THR 151 Cb 0.03 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1bxr s THR 151 CO 0.12 -0.29 1.74 -0.03 -0.54 0.00 0.00 174.62 175.62 1bxr h MET 152 N 2.74 0.94 -0.61 3.99 4.05 -1.95 0.98 114.93 125.07 1bxr h MET 152 Ca -0.35 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 58.85 1bxr h MET 152 Cb 1.22 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 1bxr h MET 152 CO 0.55 0.79 0.16 1.49 0.23 0.00 0.00 176.91 180.13 1bxr h GLU 153 N 0.89 0.96 -0.69 0.39 4.81 -1.98 0.29 114.58 119.25 1bxr h GLU 153 Ca 0.21 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1bxr h GLU 153 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1bxr h GLU 153 CO -0.02 0.88 0.21 0.93 -0.73 0.00 0.00 179.01 180.28 1bxr h GLU 154 N 0.88 1.07 -0.24 1.92 5.08 -1.80 -1.96 114.58 119.53 1bxr h GLU 154 Ca 0.19 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1bxr h GLU 154 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1bxr h GLU 154 CO 0.00 0.91 0.02 0.00 -1.00 0.00 0.00 179.01 178.94 1bxr h ALA 155 N 1.20 0.32 -0.69 3.43 0.00 0.17 -2.70 119.26 120.99 1bxr h ALA 155 Ca 0.23 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1bxr h ALA 155 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1bxr h ALA 155 CO -0.01 0.02 0.46 -0.07 0.00 0.00 0.00 179.25 179.65 1bxr h LEU 156 N 0.19 0.60 -0.52 0.00 3.38 -0.25 -0.31 115.31 118.40 1bxr h LEU 156 Ca 0.07 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1bxr h LEU 156 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1bxr h LEU 156 CO 0.01 0.38 -0.37 0.00 0.09 0.00 0.00 178.44 178.54 1bxr h ALA 157 N 1.63 0.70 -0.20 1.53 0.00 -1.20 -0.90 119.26 120.82 1bxr h ALA 157 Ca 0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1bxr h ALA 157 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bxr h ALA 157 CO -0.10 0.66 -0.03 0.28 0.00 0.00 0.00 179.25 180.07 1bxr h VAL 158 N 0.66 1.27 -0.97 0.00 2.07 -0.93 -2.53 116.25 115.82 1bxr h VAL 158 Ca 0.06 -0.96 0.18 0.00 0.82 0.00 0.00 66.70 66.80 1bxr h VAL 158 Cb 0.93 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 1bxr h VAL 158 CO 0.09 0.29 0.61 0.00 0.02 0.00 0.00 177.57 178.58 1bxr h ALA 159 N 0.76 1.84 0.00 1.67 0.00 -1.01 0.81 119.26 123.33 1bxr h ALA 159 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bxr h ALA 159 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bxr h ALA 159 CO 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 179.25 178.97 1bxr h ALA 160 N 1.62 1.30 0.11 0.00 0.00 -0.74 -1.38 119.26 120.16 1bxr h ALA 160 Ca 0.53 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 1bxr h ALA 160 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bxr h ALA 160 CO -0.29 0.16 -1.72 0.22 0.00 0.00 0.00 179.25 177.63 1bxr h ASP 161 N 0.00 0.35 0.49 0.00 3.58 0.81 -3.38 116.42 118.27 1bxr h ASP 161 Ca -0.00 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.60 1bxr h ASP 161 Cb 0.36 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1bxr h ASP 161 CO 0.02 1.74 -0.48 1.33 -2.88 0.00 0.00 179.24 178.96 1bxr n VAL 162 N -3.77 0.00 -0.92 2.25 0.24 -0.12 -5.06 118.33 110.95 1bxr n VAL 162 Ca -0.30 -0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1bxr n VAL 162 Cb 0.95 0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 1bxr n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 163 N 1.49 -2.00 3.81 7.63 0.00 -0.52 -4.68 105.19 110.92 1bxr n GLY 163 Ca 0.06 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1bxr n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 164 N -2.24 3.27 0.58 1.61 0.08 -1.26 -3.90 117.98 116.11 1bxr s PHE 164 Ca 0.00 0.13 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 1bxr s PHE 164 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1bxr s PHE 164 CO 0.00 0.54 1.06 -1.25 -0.10 0.00 0.00 175.22 175.47 1bxr s PRO 165 N -2.31 3.38 0.09 0.24 0.04 -1.26 -5.03 135.00 130.16 1bxr s PRO 165 Ca 0.29 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1bxr s PRO 165 Cb -0.12 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1bxr s PRO 165 CO 0.22 -0.76 -0.10 0.00 0.04 0.00 0.00 177.00 176.39 1bxr s ILE 167 N -2.36 4.67 -0.21 0.00 1.09 0.16 -1.27 121.20 123.28 1bxr s ILE 167 Ca 0.05 -0.07 -0.04 0.00 -1.10 0.00 0.00 60.65 59.48 1bxr s ILE 167 Cb -0.03 -3.11 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 1bxr s ILE 167 CO 0.00 0.46 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.65 1bxr s ILE 168 N 0.44 3.66 -0.07 2.92 1.01 -0.79 0.14 121.20 128.52 1bxr s ILE 168 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1bxr s ILE 168 Cb -0.13 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.71 1bxr s ILE 168 CO 0.01 0.42 -0.01 -0.13 0.00 0.00 0.00 174.94 175.23 1bxr s ARG 169 N 1.25 0.69 0.54 2.79 0.52 0.54 -2.50 118.95 122.78 1bxr s ARG 169 Ca 0.03 0.05 -0.15 0.00 -0.52 0.00 0.00 55.73 55.14 1bxr s ARG 169 Cb -0.14 -0.97 -0.07 0.00 0.52 0.00 0.00 34.95 34.29 1bxr s ARG 169 CO -0.00 -0.26 1.00 -2.14 0.02 0.00 0.00 175.30 173.92 1bxr s PRO 170 N 1.77 3.79 0.23 3.54 0.02 -1.26 0.11 135.00 143.20 1bxr s PRO 170 Ca 0.02 0.96 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 1bxr s PRO 170 Cb -0.13 -2.11 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 1bxr s PRO 170 CO -0.05 -0.41 0.77 -1.12 -0.33 0.00 0.00 177.00 175.87 1bxr s SER 171 N -3.21 7.17 -0.47 2.53 0.01 -0.73 -4.00 113.70 115.00 1bxr s SER 171 Ca 0.59 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1bxr s SER 171 Cb -0.11 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1bxr s SER 171 CO 0.36 0.05 0.00 0.49 0.41 0.00 0.00 173.24 174.55 1bxr n PHE 172 N 0.86 0.00 -4.45 2.43 3.01 -1.09 -4.10 117.46 114.12 1bxr n PHE 172 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 1bxr n PHE 172 Cb 0.50 -1.15 -0.10 0.00 -0.01 0.00 0.00 39.48 38.72 1bxr n PHE 172 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1bxr s THR 173 N -2.08 1.59 0.27 4.37 -4.23 -1.26 -4.54 115.64 109.76 1bxr s THR 173 Ca 0.00 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1bxr s THR 173 Cb 0.00 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 1bxr s THR 173 CO 0.00 -0.20 0.40 0.00 -0.54 0.00 0.00 174.62 174.28 1bxr s MET 174 N -3.76 1.58 -0.25 3.99 0.23 -1.26 -4.88 119.30 114.95 1bxr s MET 174 Ca 0.32 -1.49 0.00 0.00 -1.03 0.00 0.00 55.69 53.49 1bxr s MET 174 Cb 0.05 0.42 0.00 0.00 -1.53 0.00 0.00 34.83 33.77 1bxr s MET 174 CO 0.13 -0.63 0.00 0.41 -2.03 0.00 0.00 175.02 172.90 1bxr n GLY 175 N -0.41 0.46 2.40 3.16 0.00 -1.26 -2.11 105.19 107.42 1bxr n GLY 175 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1bxr n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 176 N -1.11 0.54 3.69 -0.02 0.00 -1.26 -0.18 105.19 106.84 1bxr n GLY 176 Ca -0.02 -0.19 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1bxr n GLY 176 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bxr n SER 177 N -0.16 3.22 0.00 1.61 7.64 -0.90 -1.15 113.62 123.88 1bxr n SER 177 Ca -0.03 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1bxr n SER 177 Cb 0.25 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1bxr n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxr n GLY 178 N 4.36 0.74 2.66 0.23 0.00 -1.26 -4.67 105.19 107.25 1bxr n GLY 178 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1bxr n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 179 N -2.42 3.38 0.00 -0.02 0.00 -0.30 -3.09 105.19 102.74 1bxr n GLY 179 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1bxr n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 180 N 0.49 -2.00 3.53 -0.02 0.00 -1.04 -4.53 105.19 101.62 1bxr n GLY 180 Ca -0.10 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1bxr n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 181 N -2.59 3.83 -0.23 -0.61 1.01 -1.26 -1.88 121.20 119.47 1bxr s ILE 181 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1bxr s ILE 181 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1bxr s ILE 181 CO 0.00 0.54 0.03 0.00 0.00 0.00 0.00 174.94 175.51 1bxr s ALA 182 N -0.09 3.09 -0.89 9.38 0.00 -0.40 -4.93 121.76 127.92 1bxr s ALA 182 Ca 0.02 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.13 1bxr s ALA 182 Cb -0.13 -1.93 0.17 0.00 0.00 0.00 0.00 23.12 21.22 1bxr s ALA 182 CO 0.03 -0.35 1.16 0.66 0.00 0.00 0.00 175.76 177.25 1bxr n TYR 183 N 4.65 0.08 -3.73 0.00 4.01 -1.26 -1.85 117.16 119.05 1bxr n TYR 183 Ca -0.17 0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.52 1bxr n TYR 183 Cb 0.51 -0.23 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1bxr n TYR 183 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1bxr s ASN 184 N -3.26 -0.30 0.32 7.72 2.20 -1.26 -4.76 114.94 115.60 1bxr s ASN 184 Ca 0.08 -0.41 0.06 0.00 -0.94 0.00 0.00 52.86 51.65 1bxr s ASN 184 Cb 0.16 0.63 0.73 0.00 -2.00 0.00 0.00 41.25 40.77 1bxr s ASN 184 CO 0.78 -1.13 1.83 -0.09 -2.94 0.00 0.00 177.10 175.55 1bxr h ARG 185 N 2.00 0.77 -0.41 3.55 2.43 -1.98 -0.43 114.38 120.30 1bxr h ARG 185 Ca -0.23 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1bxr h ARG 185 Cb 1.26 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1bxr h ARG 185 CO 0.27 0.51 0.12 1.49 -1.51 0.00 0.00 179.97 180.84 1bxr h GLU 186 N 0.79 0.65 -0.38 0.20 4.81 -1.99 0.68 114.58 119.34 1bxr h GLU 186 Ca 0.50 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1bxr h GLU 186 Cb 0.72 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1bxr h GLU 186 CO -0.27 0.65 -0.11 0.93 -0.73 0.00 0.00 179.01 179.49 1bxr h GLU 187 N 0.53 0.75 -0.43 1.92 5.08 -1.86 -2.50 114.58 118.07 1bxr h GLU 187 Ca 0.13 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1bxr h GLU 187 Cb 0.28 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1bxr h GLU 187 CO -0.00 0.89 -0.04 0.35 -1.00 0.00 0.00 179.01 179.22 1bxr h PHE 188 N 0.55 -0.09 -0.48 4.33 3.57 -0.64 -1.22 116.94 122.95 1bxr h PHE 188 Ca 0.09 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1bxr h PHE 188 Cb 0.63 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1bxr h PHE 188 CO 0.05 -0.12 -0.02 0.93 -2.23 0.00 0.00 178.31 176.92 1bxr h GLU 189 N 0.07 0.80 -0.11 1.11 5.08 -0.77 -1.10 114.58 119.66 1bxr h GLU 189 Ca 0.21 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1bxr h GLU 189 Cb 0.31 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1bxr h GLU 189 CO -0.38 0.82 0.02 1.49 -1.00 0.00 0.00 179.01 179.95 1bxr h GLU 190 N 0.75 0.18 -0.01 2.33 4.81 -0.94 -1.93 114.58 119.77 1bxr h GLU 190 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1bxr h GLU 190 Cb 0.48 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1bxr h GLU 190 CO 0.02 0.38 0.00 0.82 -0.73 0.00 0.00 179.01 179.51 1bxr h ILE 191 N -0.05 1.14 -0.37 2.32 2.04 -1.18 -2.48 117.51 118.94 1bxr h ILE 191 Ca 0.03 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1bxr h ILE 191 Cb 0.29 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1bxr h ILE 191 CO 0.00 0.11 0.14 0.00 0.00 0.00 0.00 178.15 178.40 1bxr h ALA 193 N 1.23 1.25 -0.03 0.00 0.00 -1.37 0.20 119.26 120.53 1bxr h ALA 193 Ca 0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1bxr h ALA 193 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bxr h ALA 193 CO -0.16 0.51 -0.82 -0.09 0.00 0.00 0.00 179.25 178.69 1bxr h ARG 194 N 0.69 0.32 -0.01 0.00 2.43 -0.88 -3.02 114.38 113.90 1bxr h ARG 194 Ca 0.15 -0.30 -0.17 0.00 -0.81 0.00 0.00 59.98 58.85 1bxr h ARG 194 Cb 0.34 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1bxr h ARG 194 CO 0.01 0.98 -0.78 0.78 -1.51 0.00 0.00 179.97 179.44 1bxr h GLY 195 N 1.49 0.10 1.20 2.80 0.00 0.06 -2.26 103.07 106.45 1bxr h GLY 195 Ca -0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1bxr h GLY 195 CO 0.13 0.14 -0.30 1.41 0.00 0.00 0.00 176.54 177.92 1bxr h LEU 196 N 0.05 0.93 -0.13 3.11 3.38 -0.65 -0.29 115.31 121.70 1bxr h LEU 196 Ca -0.02 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1bxr h LEU 196 Cb 1.37 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1bxr h LEU 196 CO 0.11 1.16 -0.14 -0.78 0.09 0.00 0.00 178.44 178.88 1bxr h ASP 197 N 0.75 0.35 -0.55 -0.43 3.58 -1.51 -3.27 116.42 115.34 1bxr h ASP 197 Ca 0.08 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 1bxr h ASP 197 Cb 0.87 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 1bxr h ASP 197 CO 0.08 0.77 0.29 0.25 -2.88 0.00 0.00 179.24 177.74 1bxr h LEU 198 N -0.06 0.71 -9.41 2.28 5.85 -1.41 -3.44 115.31 109.83 1bxr h LEU 198 Ca 0.02 -0.11 -0.58 0.00 0.84 0.00 0.00 57.88 58.05 1bxr h LEU 198 Cb 0.67 -0.18 0.04 0.00 0.37 0.00 0.00 40.66 41.56 1bxr h LEU 198 CO 0.03 0.61 0.99 -0.24 -0.34 0.00 0.00 178.44 179.50 1bxr n SER 199 N -4.59 3.45 0.32 1.25 2.88 -0.12 -4.86 113.62 111.95 1bxr n SER 199 Ca 0.03 1.01 0.21 0.00 -1.33 0.00 0.00 58.87 58.80 1bxr n SER 199 Cb 0.10 -1.43 1.10 0.00 -0.75 0.00 0.00 64.21 63.23 1bxr n SER 199 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1bxr h PRO 200 N 7.90 0.00 -0.19 -1.46 0.11 -1.80 -0.42 132.00 136.14 1bxr h PRO 200 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1bxr h PRO 200 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bxr h PRO 200 CO 0.93 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.97 1bxr n THR 201 N -3.03 0.79 -3.87 -1.15 -2.24 -1.26 -4.98 114.28 98.53 1bxr n THR 201 Ca -0.02 -0.89 -0.25 0.00 -2.27 0.00 0.00 64.05 60.61 1bxr n THR 201 Cb 0.11 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1bxr n THR 201 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bxr n LYS 202 N 0.26 -3.35 -4.51 -0.78 0.00 -0.17 -4.97 118.16 104.63 1bxr n LYS 202 Ca 0.07 0.45 -0.22 0.00 0.00 0.00 0.00 58.31 58.62 1bxr n LYS 202 Cb 0.33 -4.60 -0.14 0.00 0.00 0.00 0.00 35.03 30.63 1bxr n LYS 202 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1bxr s GLU 203 N -6.38 1.07 0.07 1.64 2.12 -1.26 -4.55 118.70 111.41 1bxr s GLU 203 Ca 0.06 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.80 1bxr s GLU 203 Cb -0.02 -1.07 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 1bxr s GLU 203 CO 0.87 0.28 -0.20 -0.51 -0.54 0.00 0.00 175.26 175.16 1bxr s LEU 204 N -0.79 2.23 -0.18 2.70 1.43 -0.35 -1.76 118.68 121.96 1bxr s LEU 204 Ca 0.04 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1bxr s LEU 204 Cb -0.07 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 1bxr s LEU 204 CO 0.01 0.10 -0.11 -0.22 0.23 0.00 0.00 176.35 176.36 1bxr s LEU 205 N -1.53 2.64 -0.22 1.79 2.96 0.12 -1.72 118.68 122.72 1bxr s LEU 205 Ca 0.06 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1bxr s LEU 205 Cb -0.09 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1bxr s LEU 205 CO 0.03 0.04 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.43 1bxr s ILE 206 N 1.12 3.45 0.23 6.68 1.01 -0.06 -0.34 121.20 133.29 1bxr s ILE 206 Ca 0.01 -0.47 0.12 0.00 0.00 0.00 0.00 60.65 60.30 1bxr s ILE 206 Cb -0.14 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1bxr s ILE 206 CO -0.03 0.42 -0.22 -1.81 0.00 0.00 0.00 174.94 173.30 1bxr s ASP 207 N 1.40 3.46 0.83 3.58 1.11 0.12 -0.70 116.67 126.48 1bxr s ASP 207 Ca 0.05 -0.94 -0.11 0.00 0.18 0.00 0.00 52.55 51.73 1bxr s ASP 207 Cb -0.14 -0.27 0.09 0.00 1.07 0.00 0.00 42.92 43.67 1bxr s ASP 207 CO -0.02 0.08 1.09 -1.83 1.18 0.00 0.00 175.17 175.67 1bxr s GLU 208 N -3.04 1.78 0.14 8.23 -1.05 0.15 0.35 118.70 125.27 1bxr s GLU 208 Ca 0.24 0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 55.70 1bxr s GLU 208 Cb -0.07 -1.86 -0.07 0.00 -0.44 0.00 0.00 34.13 31.70 1bxr s GLU 208 CO 0.12 -1.91 1.13 0.45 0.95 0.00 0.00 175.26 176.00 1bxr s SER 209 N -3.48 7.19 -0.11 0.83 0.15 -1.22 -4.54 113.70 112.53 1bxr s SER 209 Ca 0.62 2.08 0.15 0.00 0.70 0.00 0.00 55.95 59.50 1bxr s SER 209 Cb -0.17 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.80 1bxr s SER 209 CO 0.56 -0.31 1.13 0.18 1.20 0.00 0.00 173.24 176.01 1bxr n LEU 210 N 2.82 1.97 -4.64 3.45 4.77 -1.26 -5.04 117.00 119.06 1bxr n LEU 210 Ca 0.05 -2.80 -0.52 0.00 -0.03 0.00 0.00 56.01 52.71 1bxr n LEU 210 Cb 0.46 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1bxr n LEU 210 CO 0.54 0.69 1.12 -0.38 -1.33 0.00 0.00 177.39 178.04 1bxr n ILE 211 N -1.14 0.13 0.00 -0.08 5.41 -1.26 -1.39 119.36 121.03 1bxr n ILE 211 Ca 0.13 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1bxr n ILE 211 Cb 0.66 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1bxr n ILE 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxr n GLY 212 N 3.28 2.92 3.60 7.39 0.00 -0.86 -4.95 105.19 116.55 1bxr n GLY 212 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1bxr n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bxr s TRP 213 N -2.72 1.69 0.56 1.61 0.52 -0.49 -4.64 118.94 115.47 1bxr s TRP 213 Ca 0.00 0.99 -0.14 0.00 0.02 0.00 0.00 56.10 56.97 1bxr s TRP 213 Cb 0.00 -3.21 -0.06 0.00 -1.15 0.00 0.00 33.47 29.05 1bxr s TRP 213 CO 0.00 -3.38 1.00 0.15 0.02 0.00 0.00 176.95 174.74 1bxr s LYS 214 N -4.82 3.80 -0.06 4.98 1.02 0.15 -1.45 119.74 123.36 1bxr s LYS 214 Ca 0.67 0.86 0.03 0.00 0.02 0.00 0.00 55.97 57.55 1bxr s LYS 214 Cb -0.20 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1bxr s LYS 214 CO 0.60 -0.40 -0.15 -2.00 -0.92 0.00 0.00 175.35 172.48 1bxr s GLU 215 N -4.55 1.84 0.15 1.68 2.12 -1.26 -0.83 118.70 117.84 1bxr s GLU 215 Ca 0.57 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.41 1bxr s GLU 215 Cb -0.10 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 1bxr s GLU 215 CO 0.41 0.13 -0.09 0.71 -0.54 0.00 0.00 175.26 175.88 1bxr s TYR 216 N 0.38 1.25 0.02 5.30 2.02 -0.40 -0.42 117.35 125.48 1bxr s TYR 216 Ca -0.11 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 55.79 1bxr s TYR 216 Cb -0.14 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1bxr s TYR 216 CO 0.04 0.05 0.01 -1.21 -1.57 0.00 0.00 175.55 172.87 1bxr s GLU 217 N -3.76 0.37 -0.03 -0.62 2.02 -0.70 -1.35 118.70 114.63 1bxr s GLU 217 Ca 0.17 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 1bxr s GLU 217 Cb 0.03 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.43 1bxr s GLU 217 CO 0.01 -0.07 0.03 -1.64 0.02 0.00 0.00 175.26 173.61 1bxr s MET 218 N -1.55 0.01 -0.28 1.61 -1.94 -0.77 -0.92 119.30 115.46 1bxr s MET 218 Ca -0.15 0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 53.91 1bxr s MET 218 Cb -0.09 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.35 1bxr s MET 218 CO -0.01 -0.21 0.34 -1.21 -0.01 0.00 0.00 175.02 173.92 1bxr s GLU 219 N 1.37 3.97 0.12 2.03 0.41 -0.61 -1.81 118.70 124.19 1bxr s GLU 219 Ca -0.05 -0.06 0.06 0.00 -0.41 0.00 0.00 54.97 54.51 1bxr s GLU 219 Cb -0.13 -3.67 -0.04 0.00 -1.78 0.00 0.00 34.13 28.52 1bxr s GLU 219 CO -0.03 -0.28 -0.03 0.08 -0.49 0.00 0.00 175.26 174.52 1bxr s VAL 220 N 2.01 3.73 -0.04 2.63 1.01 -0.09 -0.83 120.40 128.82 1bxr s VAL 220 Ca 0.13 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1bxr s VAL 220 Cb -0.16 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1bxr s VAL 220 CO 0.10 0.04 -0.11 -0.69 0.00 0.00 0.00 175.10 174.45 1bxr s VAL 221 N -1.42 0.93 0.02 2.92 1.01 0.25 -1.75 120.40 122.37 1bxr s VAL 221 Ca 0.25 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1bxr s VAL 221 Cb -0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1bxr s VAL 221 CO 0.17 0.29 -0.06 -0.60 0.00 0.00 0.00 175.10 174.90 1bxr s ARG 222 N 0.31 0.46 0.47 2.72 3.52 -0.36 0.05 118.95 126.12 1bxr s ARG 222 Ca -0.06 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.11 1bxr s ARG 222 Cb -0.11 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 1bxr s ARG 222 CO 0.01 0.07 0.09 0.16 -0.81 0.00 0.00 175.30 174.82 1bxr s ASP 223 N -0.87 4.17 0.66 -2.12 1.47 0.69 -1.60 116.67 119.07 1bxr s ASP 223 Ca -0.04 -1.41 0.43 0.00 1.18 0.00 0.00 52.55 52.71 1bxr s ASP 223 Cb -0.06 0.05 2.39 0.00 -0.34 0.00 0.00 42.92 44.95 1bxr s ASP 223 CO 0.00 -0.70 2.37 0.07 0.68 0.00 0.00 175.17 177.58 1bxr h LYS 224 N 1.42 0.00 -0.27 2.11 2.10 -1.78 0.30 116.57 120.44 1bxr h LYS 224 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1bxr h LYS 224 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1bxr h LYS 224 CO 0.73 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.27 1bxr n ASN 225 N -3.16 1.92 -0.44 7.07 3.02 -1.26 -4.89 115.26 117.51 1bxr n ASN 225 Ca -0.03 -1.85 -0.06 0.00 -0.03 0.00 0.00 54.58 52.61 1bxr n ASN 225 Cb 0.07 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1bxr n ASN 225 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bxr n ASP 226 N 0.51 -4.12 -4.75 6.41 2.03 0.11 -4.98 116.55 111.75 1bxr n ASP 226 Ca 0.15 0.14 -0.40 0.00 0.52 0.00 0.00 54.79 55.20 1bxr n ASP 226 Cb 0.34 -2.12 -0.05 0.00 -0.72 0.00 0.00 41.12 38.56 1bxr n ASP 226 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1bxr s ASN 227 N -2.60 7.46 -0.12 1.67 0.01 -1.25 -4.80 114.94 115.30 1bxr s ASN 227 Ca 0.00 2.08 -0.06 0.00 -0.71 0.00 0.00 52.86 54.16 1bxr s ASN 227 Cb 0.00 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.10 1bxr s ASN 227 CO 0.00 -0.00 0.29 0.00 -1.51 0.00 0.00 177.10 175.88 1bxr s ILE 229 N 1.36 1.31 -0.41 0.00 -4.36 0.11 -4.96 121.20 114.25 1bxr s ILE 229 Ca -0.09 -1.70 -0.18 0.00 -0.26 0.00 0.00 60.65 58.42 1bxr s ILE 229 Cb -0.10 -1.51 0.02 0.00 1.25 0.00 0.00 42.46 42.12 1bxr s ILE 229 CO -0.10 -0.41 0.51 -0.63 0.24 0.00 0.00 174.94 174.55 1bxr s ILE 230 N -2.11 5.00 0.11 8.37 -1.09 -1.26 -0.58 121.20 129.64 1bxr s ILE 230 Ca 0.08 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1bxr s ILE 230 Cb -0.05 -4.07 -0.22 0.00 -1.58 0.00 0.00 42.46 36.54 1bxr s ILE 230 CO 0.03 -0.43 1.25 0.58 -1.23 0.00 0.00 174.94 175.14 1bxr h VAL 231 N 5.75 1.45 -1.68 2.92 2.07 -1.32 -3.37 116.25 122.07 1bxr h VAL 231 Ca -0.26 -2.72 0.04 0.00 0.82 0.00 0.00 66.70 64.58 1bxr h VAL 231 Cb 1.11 2.63 -0.25 0.00 -1.52 0.00 0.00 31.29 33.26 1bxr h VAL 231 CO 0.82 0.80 0.39 0.00 0.02 0.00 0.00 177.57 179.60 1bxr s SER 233 N 0.21 5.27 -0.03 0.00 1.04 -1.26 -1.57 113.70 117.37 1bxr s SER 233 Ca 0.02 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1bxr s SER 233 Cb -0.05 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.76 1bxr s SER 233 CO -0.05 0.18 -0.01 -0.63 0.98 0.00 0.00 173.24 173.72 1bxr s ILE 234 N -1.34 0.24 -0.18 -1.02 1.01 -0.10 -3.64 121.20 116.19 1bxr s ILE 234 Ca 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1bxr s ILE 234 Cb -0.12 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1bxr s ILE 234 CO 0.20 0.16 -0.02 -0.70 0.00 0.00 0.00 174.94 174.58 1bxr s GLU 235 N 0.98 3.67 0.33 2.79 2.12 -0.19 -1.72 118.70 126.68 1bxr s GLU 235 Ca -0.10 -0.51 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1bxr s GLU 235 Cb -0.14 -3.00 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 1bxr s GLU 235 CO -0.01 0.15 1.07 -0.80 -0.54 0.00 0.00 175.26 175.12 1bxr s ASN 236 N 0.63 7.06 -0.09 -1.70 0.02 0.44 -1.93 114.94 119.37 1bxr s ASN 236 Ca -0.01 2.14 -0.25 0.00 -1.02 0.00 0.00 52.86 53.72 1bxr s ASN 236 Cb -0.14 -2.61 -0.21 0.00 0.02 0.00 0.00 41.25 38.31 1bxr s ASN 236 CO 0.02 -0.28 0.90 0.15 0.02 0.00 0.00 177.10 177.91 1bxr h PHE 237 N 3.24 -0.03 -3.11 2.20 3.57 -0.14 -3.43 116.94 119.24 1bxr h PHE 237 Ca -0.47 -0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.46 1bxr h PHE 237 Cb 1.21 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1bxr h PHE 237 CO 0.58 0.67 0.72 -0.51 -2.23 0.00 0.00 178.31 177.55 1bxr s ASP 238 N -5.91 7.10 1.48 0.41 1.01 -1.19 -4.46 116.67 115.11 1bxr s ASP 238 Ca -0.16 1.60 -0.25 0.00 0.71 0.00 0.00 52.55 54.45 1bxr s ASP 238 Cb -0.01 -2.55 0.38 0.00 1.01 0.00 0.00 42.92 41.75 1bxr s ASP 238 CO 0.62 -0.59 0.90 0.00 0.21 0.00 0.00 175.17 176.30 1bxr n ALA 239 N 5.65 -5.17 -1.77 5.23 0.00 -1.26 -4.75 120.51 118.44 1bxr n ALA 239 Ca 0.11 -1.57 -0.42 0.00 0.00 0.00 0.00 53.44 51.57 1bxr n ALA 239 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1bxr n ALA 239 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1bxr s MET 240 N -5.14 4.13 0.00 0.00 -1.94 -0.53 -3.12 119.30 112.70 1bxr s MET 240 Ca 0.68 2.56 0.00 0.00 -1.71 0.00 0.00 55.69 57.22 1bxr s MET 240 Cb -0.11 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1bxr s MET 240 CO 0.57 -0.62 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1bxr n GLY 241 N 2.31 1.62 3.19 -0.03 0.00 -1.26 -2.04 105.19 108.99 1bxr n GLY 241 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1bxr n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 242 N -1.36 2.32 0.32 -0.61 1.01 -1.18 -3.62 121.20 118.08 1bxr s ILE 242 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 1bxr s ILE 242 Cb 0.00 -1.96 -0.13 0.00 0.01 0.00 0.00 42.46 40.37 1bxr s ILE 242 CO 0.00 0.53 1.05 1.57 0.00 0.00 0.00 174.94 178.09 1bxr n HIS 243 N 4.24 1.40 -0.07 3.97 -0.00 -0.84 -4.72 115.22 119.20 1bxr n HIS 243 Ca -0.20 0.65 0.15 0.00 -0.00 0.00 0.00 57.72 58.32 1bxr n HIS 243 Cb 0.51 -2.27 0.55 0.00 -0.00 0.00 0.00 29.99 28.78 1bxr n HIS 243 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1bxr h THR 244 N 1.99 0.83 0.00 3.57 1.35 -1.93 0.31 112.91 119.03 1bxr h THR 244 Ca -0.41 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.28 1bxr h THR 244 Cb 1.33 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1bxr h THR 244 CO 0.60 0.05 -0.28 1.23 -0.25 0.00 0.00 175.52 176.87 1bxr h GLY 245 N 0.30 0.00 -1.96 5.82 0.00 -1.98 -2.55 103.07 102.69 1bxr h GLY 245 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1bxr h GLY 245 CO -0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.69 1bxr n ASP 246 N -3.63 3.28 -4.97 0.19 9.92 0.92 -4.77 116.55 117.50 1bxr n ASP 246 Ca -0.01 -1.94 -0.21 0.00 -0.53 0.00 0.00 54.79 52.10 1bxr n ASP 246 Cb 0.41 -0.28 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 1bxr n ASP 246 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1bxr s SER 247 N -1.15 6.27 -0.02 -2.24 0.01 -0.21 -4.84 113.70 111.52 1bxr s SER 247 Ca 0.34 0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.44 1bxr s SER 247 Cb 0.19 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 1bxr s SER 247 CO 0.26 -0.10 0.57 -0.63 0.41 0.00 0.00 173.24 173.75 1bxr s ILE 248 N -2.00 4.95 0.12 1.44 1.01 -1.26 -4.24 121.20 121.21 1bxr s ILE 248 Ca 0.35 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.20 1bxr s ILE 248 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1bxr s ILE 248 CO 0.29 0.42 -0.01 0.42 0.00 0.00 0.00 174.94 176.05 1bxr s THR 249 N -0.15 0.47 0.05 2.92 -4.23 -0.63 0.64 115.64 114.69 1bxr s THR 249 Ca 0.30 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1bxr s THR 249 Cb -0.18 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1bxr s THR 249 CO 0.16 -0.70 -0.04 0.68 -0.54 0.00 0.00 174.62 174.18 1bxr s VAL 250 N -3.78 0.28 -0.04 2.29 -7.23 -0.81 -0.17 120.40 110.94 1bxr s VAL 250 Ca 0.17 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1bxr s VAL 250 Cb 0.07 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1bxr s VAL 250 CO -0.02 -0.74 -0.20 0.00 -0.31 0.00 0.00 175.10 173.83 1bxr s ALA 251 N -2.73 1.75 0.33 1.32 0.00 -0.86 -1.02 121.76 120.55 1bxr s ALA 251 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1bxr s ALA 251 Cb -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1bxr s ALA 251 CO -0.05 0.37 0.00 -0.35 0.00 0.00 0.00 175.76 175.73 1bxr n PRO 252 N 2.86 1.10 -1.88 0.00 -0.04 -1.26 -1.80 135.00 133.98 1bxr n PRO 252 Ca -0.17 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1bxr n PRO 252 Cb 0.53 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.03 1bxr n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr s ALA 253 N -2.67 2.60 -0.14 0.55 0.00 -1.24 -4.40 121.76 116.46 1bxr s ALA 253 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 1bxr s ALA 253 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1bxr s ALA 253 CO 0.00 -1.32 -0.14 1.04 0.00 0.00 0.00 175.76 175.34 1bxr n GLN 254 N -1.44 0.35 -0.74 0.00 1.13 -1.26 -4.82 117.38 110.59 1bxr n GLN 254 Ca 0.13 0.09 0.01 0.00 -1.94 0.00 0.00 57.00 55.29 1bxr n GLN 254 Cb 0.48 -1.24 0.27 0.00 0.11 0.00 0.00 30.24 29.86 1bxr n GLN 254 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1bxr n THR 255 N -3.06 2.60 -4.06 5.09 -2.24 -1.26 -4.96 114.28 106.39 1bxr n THR 255 Ca -0.26 -1.93 -0.35 0.00 -2.27 0.00 0.00 64.05 59.23 1bxr n THR 255 Cb 0.76 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 1bxr n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxr s LEU 256 N -2.97 3.94 0.73 3.22 1.43 -1.26 -5.09 118.68 118.68 1bxr s LEU 256 Ca 0.48 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1bxr s LEU 256 Cb 0.39 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.69 1bxr s LEU 256 CO 0.09 0.30 1.10 0.42 0.23 0.00 0.00 176.35 178.49 1bxr s THR 257 N -0.38 3.29 0.43 5.49 -4.23 -1.26 -4.76 115.64 114.22 1bxr s THR 257 Ca 0.10 0.49 0.09 0.00 -1.18 0.00 0.00 61.69 61.18 1bxr s THR 257 Cb -0.12 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1bxr s THR 257 CO 0.02 -0.48 2.07 -0.78 -0.54 0.00 0.00 174.62 174.91 1bxr h ASP 258 N -0.69 0.37 -0.69 3.99 3.58 -1.98 0.42 116.42 121.42 1bxr h ASP 258 Ca -0.45 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1bxr h ASP 258 Cb 1.24 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 1bxr h ASP 258 CO 0.52 0.26 0.38 0.11 -2.88 0.00 0.00 179.24 177.64 1bxr h LYS 259 N 0.43 0.96 -0.18 0.28 1.57 -2.00 -0.87 116.57 116.77 1bxr h LYS 259 Ca 0.13 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1bxr h LYS 259 Cb -0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1bxr h LYS 259 CO -0.03 0.72 -0.53 0.93 -0.57 0.00 0.00 179.45 179.98 1bxr h GLU 260 N 0.95 0.50 -0.54 3.15 5.08 -1.48 -2.95 114.58 119.29 1bxr h GLU 260 Ca 0.24 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1bxr h GLU 260 Cb 0.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1bxr h GLU 260 CO -0.04 0.90 0.22 -0.92 -1.00 0.00 0.00 179.01 178.17 1bxr h TYR 261 N 0.39 0.77 -0.39 4.33 5.03 -0.42 -2.29 116.97 124.39 1bxr h TYR 261 Ca 0.01 -0.04 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 1bxr h TYR 261 Cb 1.05 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1bxr h TYR 261 CO 0.04 0.60 -0.33 1.96 -1.32 0.00 0.00 178.16 179.11 1bxr h GLN 262 N 0.76 0.88 -0.50 1.82 1.08 -1.06 0.23 115.11 118.32 1bxr h GLN 262 Ca 0.18 -0.42 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 1bxr h GLN 262 Cb 0.15 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1bxr h GLN 262 CO -0.02 1.07 0.21 0.82 -0.95 0.00 0.00 178.83 179.96 1bxr h ILE 263 N 0.73 1.21 -0.34 2.54 2.04 -1.35 0.39 117.51 122.73 1bxr h ILE 263 Ca 0.07 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1bxr h ILE 263 Cb 0.89 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1bxr h ILE 263 CO 0.08 0.24 -0.11 -0.03 0.00 0.00 0.00 178.15 178.33 1bxr h MET 264 N 0.67 0.57 -0.05 2.37 4.05 -1.30 0.23 114.93 121.48 1bxr h MET 264 Ca 0.17 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1bxr h MET 264 Cb 0.17 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1bxr h MET 264 CO -0.02 0.68 -0.01 -0.09 0.23 0.00 0.00 176.91 177.70 1bxr h ARG 265 N 0.53 0.10 -0.66 0.39 2.43 -0.43 -1.68 114.38 115.06 1bxr h ARG 265 Ca 0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1bxr h ARG 265 Cb 0.51 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1bxr h ARG 265 CO 0.03 0.45 0.34 -0.91 -1.51 0.00 0.00 179.97 178.37 1bxr h ASN 266 N -0.25 0.82 -0.31 -3.80 -0.26 -0.05 -2.70 115.58 109.04 1bxr h ASN 266 Ca 0.01 -0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 1bxr h ASN 266 Cb 0.41 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1bxr h ASN 266 CO 0.01 0.68 -0.04 0.00 -1.06 0.00 0.00 177.43 177.02 1bxr h ALA 267 N 1.45 0.42 -0.74 -0.83 0.00 -0.84 -1.63 119.26 117.08 1bxr h ALA 267 Ca 0.23 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1bxr h ALA 267 Cb 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1bxr h ALA 267 CO -0.03 0.21 0.40 0.77 0.00 0.00 0.00 179.25 180.60 1bxr h SER 268 N 0.35 0.57 -0.03 0.00 0.02 -1.00 0.21 113.55 113.66 1bxr h SER 268 Ca 0.08 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1bxr h SER 268 Cb 0.50 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1bxr h SER 268 CO 0.02 0.34 -0.31 0.24 -1.14 0.00 0.00 176.83 175.98 1bxr h MET 269 N 0.70 0.50 0.00 3.45 2.07 -1.41 -2.59 114.93 117.64 1bxr h MET 269 Ca 0.35 -0.21 -0.10 0.00 -2.07 0.00 0.00 59.70 57.67 1bxr h MET 269 Cb 0.30 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1bxr h MET 269 CO -0.23 0.76 -0.47 0.00 1.07 0.00 0.00 176.91 178.03 1bxr h ALA 270 N 1.24 1.21 -0.25 6.32 0.00 -0.06 -2.32 119.26 125.39 1bxr h ALA 270 Ca 0.05 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1bxr h ALA 270 Cb 0.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bxr h ALA 270 CO 0.06 0.59 -0.53 0.28 0.00 0.00 0.00 179.25 179.65 1bxr h VAL 271 N 0.00 1.30 -0.25 0.00 2.07 -0.37 -1.24 116.25 117.75 1bxr h VAL 271 Ca -0.00 -1.74 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1bxr h VAL 271 Cb 0.84 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1bxr h VAL 271 CO 0.06 0.56 -0.01 -0.07 0.02 0.00 0.00 177.57 178.13 1bxr h LEU 272 N 0.56 0.43 -1.06 2.57 4.07 -1.20 -0.58 115.31 120.11 1bxr h LEU 272 Ca 0.02 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.61 1bxr h LEU 272 Cb 1.11 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 1bxr h LEU 272 CO 0.11 0.65 0.12 0.03 -1.08 0.00 0.00 178.44 178.27 1bxr h ARG 273 N 0.21 0.80 -0.17 1.13 3.08 -1.42 0.10 114.38 118.10 1bxr h ARG 273 Ca 0.07 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.77 1bxr h ARG 273 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1bxr h ARG 273 CO 0.01 0.72 -0.67 1.49 -1.07 0.00 0.00 179.97 180.46 1bxr h GLU 274 N 0.77 0.67 -0.15 0.04 4.57 -1.00 -3.13 114.58 116.35 1bxr h GLU 274 Ca 0.17 -0.49 -0.14 0.00 -1.18 0.00 0.00 59.36 57.72 1bxr h GLU 274 Cb 0.29 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1bxr h GLU 274 CO -0.00 1.11 -0.50 0.82 -1.18 0.00 0.00 179.01 179.26 1bxr h ILE 275 N 0.48 1.33 0.00 2.32 5.03 -0.79 -3.48 117.51 122.41 1bxr h ILE 275 Ca -0.02 -1.73 0.00 0.00 -0.12 0.00 0.00 64.86 62.99 1bxr h ILE 275 Cb 1.26 1.77 0.00 0.00 -3.03 0.00 0.00 36.82 36.81 1bxr h ILE 275 CO 0.13 0.53 0.00 0.61 -0.68 0.00 0.00 178.15 178.74 1bxr n GLY 276 N 0.09 1.79 3.59 5.37 0.00 0.28 -4.28 105.19 112.04 1bxr n GLY 276 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1bxr n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 277 N -2.00 4.75 -0.08 1.61 1.01 -0.75 -4.72 120.40 120.22 1bxr s VAL 277 Ca 0.00 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1bxr s VAL 277 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1bxr s VAL 277 CO 0.00 -0.39 0.10 -0.62 0.00 0.00 0.00 175.10 174.19 1bxr n GLU 278 N 6.36 3.53 -3.19 2.72 1.02 -1.26 -4.59 120.64 125.23 1bxr n GLU 278 Ca 0.03 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 1bxr n GLU 278 Cb 0.48 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 31.02 1bxr n GLU 278 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bxr n THR 279 N -1.29 -0.54 -3.75 2.62 -2.24 -1.25 -2.68 114.28 105.15 1bxr n THR 279 Ca 0.00 -4.13 0.00 0.00 -2.27 0.00 0.00 64.05 57.65 1bxr n THR 279 Cb 0.06 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 1bxr n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 280 N 1.21 -0.98 3.97 3.38 0.00 -0.63 -4.05 105.19 108.10 1bxr n GLY 280 Ca 0.22 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1bxr n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bxr s GLY 281 N 0.00 1.42 -0.04 -0.02 0.00 -1.26 -1.22 107.32 106.19 1bxr s GLY 281 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 1bxr s GLY 281 CO 0.00 -1.23 0.76 -0.56 0.00 0.00 0.00 173.10 172.07 1bxr s SER 282 N -4.09 -0.55 -0.11 1.64 0.01 -0.72 -3.94 113.70 105.94 1bxr s SER 282 Ca 0.40 0.48 -0.02 0.00 1.31 0.00 0.00 55.95 58.12 1bxr s SER 282 Cb -0.09 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1bxr s SER 282 CO 0.31 -0.59 -0.01 0.21 0.41 0.00 0.00 173.24 173.57 1bxr s ASN 283 N -1.49 5.08 -0.09 2.44 3.84 -1.15 -0.91 114.94 122.64 1bxr s ASN 283 Ca -0.06 0.05 0.04 0.00 0.21 0.00 0.00 52.86 53.10 1bxr s ASN 283 Cb -0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 41.25 39.14 1bxr s ASN 283 CO 0.03 0.30 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.73 1bxr s VAL 284 N -0.44 1.96 0.12 -5.21 1.01 -0.75 -1.80 120.40 115.30 1bxr s VAL 284 Ca 0.08 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1bxr s VAL 284 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1bxr s VAL 284 CO 0.02 0.54 -0.06 -1.10 0.00 0.00 0.00 175.10 174.50 1bxr s GLN 285 N 0.34 2.24 0.11 2.72 -0.21 -0.65 -1.85 119.66 122.35 1bxr s GLN 285 Ca -0.18 -1.04 -0.02 0.00 0.02 0.00 0.00 55.36 54.15 1bxr s GLN 285 Cb -0.17 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 1bxr s GLN 285 CO 0.08 0.49 0.05 -0.06 -2.12 0.00 0.00 175.29 173.74 1bxr s PHE 286 N -1.39 0.71 0.02 0.91 0.08 -0.45 -0.55 117.98 117.31 1bxr s PHE 286 Ca 0.24 -1.13 0.09 0.00 0.12 0.00 0.00 56.93 56.24 1bxr s PHE 286 Cb -0.11 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1bxr s PHE 286 CO 0.16 -0.50 -0.26 0.00 -0.10 0.00 0.00 175.22 174.52 1bxr s ALA 287 N -4.00 2.23 -0.05 5.36 0.00 -0.12 -1.28 121.76 123.89 1bxr s ALA 287 Ca 0.18 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1bxr s ALA 287 Cb 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1bxr s ALA 287 CO -0.02 0.53 -0.07 0.08 0.00 0.00 0.00 175.76 176.28 1bxr s VAL 288 N -0.73 0.77 -0.43 0.00 1.01 -0.01 -1.91 120.40 119.10 1bxr s VAL 288 Ca 0.11 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1bxr s VAL 288 Cb -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1bxr s VAL 288 CO 0.01 0.28 1.06 0.21 0.00 0.00 0.00 175.10 176.66 1bxr s ASN 289 N 0.83 6.67 0.63 3.32 3.84 -0.47 0.34 114.94 130.09 1bxr s ASN 289 Ca -0.12 0.54 0.32 0.00 0.21 0.00 0.00 52.86 53.80 1bxr s ASN 289 Cb -0.15 -2.52 1.77 0.00 -0.55 0.00 0.00 41.25 39.80 1bxr s ASN 289 CO 0.01 -1.10 2.08 1.55 -2.79 0.00 0.00 177.10 176.85 1bxr h PRO 290 N 8.89 0.00 0.00 0.43 0.13 -1.91 0.43 132.00 139.97 1bxr h PRO 290 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1bxr h PRO 290 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1bxr h PRO 290 CO 1.07 0.00 -0.59 0.87 -0.23 0.00 0.00 178.00 179.12 1bxr h LYS 291 N 0.00 0.00 0.00 0.86 1.57 -1.99 -3.40 116.57 113.62 1bxr h LYS 291 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1bxr h LYS 291 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1bxr h LYS 291 CO -0.00 0.59 -0.11 0.27 -0.57 0.00 0.00 179.45 179.63 1bxr n ASN 292 N -3.33 0.00 0.00 0.86 0.23 -0.30 -4.98 115.26 107.74 1bxr n ASN 292 Ca 0.01 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 1bxr n ASN 292 Cb 0.74 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 1bxr n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bxr n GLY 293 N 0.00 1.30 3.67 4.83 0.00 0.14 -4.96 105.19 110.17 1bxr n GLY 293 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 1bxr n GLY 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bxr n ARG 294 N -2.00 1.58 -3.92 1.61 0.63 -1.23 -4.62 116.66 108.71 1bxr n ARG 294 Ca 0.00 0.58 -0.35 0.00 -0.92 0.00 0.00 57.85 57.15 1bxr n ARG 294 Cb 0.00 -2.31 -0.10 0.00 0.45 0.00 0.00 32.46 30.50 1bxr n ARG 294 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1bxr s LEU 295 N 2.53 3.75 -0.09 6.15 2.96 -1.26 -1.37 118.68 131.34 1bxr s LEU 295 Ca 0.90 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 1bxr s LEU 295 Cb -0.88 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 43.86 1bxr s LEU 295 CO 0.53 0.11 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.91 1bxr s ILE 296 N 0.76 1.24 0.20 6.68 1.01 -0.80 -4.39 121.20 125.90 1bxr s ILE 296 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1bxr s ILE 296 Cb -0.13 -1.15 -0.08 0.00 0.01 0.00 0.00 42.46 41.10 1bxr s ILE 296 CO 0.02 0.39 0.93 -0.69 0.00 0.00 0.00 174.94 175.59 1bxr s VAL 297 N 0.95 4.21 -0.27 2.92 1.01 0.14 -0.95 120.40 128.42 1bxr s VAL 297 Ca -0.09 2.05 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 1bxr s VAL 297 Cb -0.15 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 1bxr s VAL 297 CO -0.00 0.45 -0.25 -0.38 0.00 0.00 0.00 175.10 174.92 1bxr n ILE 298 N 1.85 1.53 -3.97 2.22 2.08 0.29 -4.57 119.36 118.79 1bxr n ILE 298 Ca -0.01 -0.34 0.03 0.00 0.56 0.00 0.00 62.75 62.98 1bxr n ILE 298 Cb 0.48 -1.88 0.01 0.00 -0.75 0.00 0.00 39.64 37.50 1bxr n ILE 298 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1bxr s GLU 299 N -2.49 0.33 -0.12 0.38 -1.05 -1.24 -5.01 118.70 109.51 1bxr s GLU 299 Ca -0.37 -0.21 -0.10 0.00 -0.15 0.00 0.00 54.97 54.14 1bxr s GLU 299 Cb 0.13 0.09 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1bxr s GLU 299 CO 0.51 -0.15 0.30 0.00 0.95 0.00 0.00 175.26 176.87 1bxr s MET 300 N -2.04 0.34 -0.32 -4.83 0.23 -1.26 -1.64 119.30 109.78 1bxr s MET 300 Ca 0.29 0.46 -0.08 0.00 -1.03 0.00 0.00 55.69 55.33 1bxr s MET 300 Cb 0.00 0.13 0.01 0.00 -1.53 0.00 0.00 34.83 33.44 1bxr s MET 300 CO -0.01 -0.06 0.11 -0.80 -2.03 0.00 0.00 175.02 172.23 1bxr s ASN 301 N 0.37 5.31 0.00 -1.18 0.01 -0.74 -4.75 114.94 113.95 1bxr s ASN 301 Ca -0.02 -0.78 -0.02 0.00 -0.71 0.00 0.00 52.86 51.33 1bxr s ASN 301 Cb -0.03 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.60 1bxr s ASN 301 CO -0.01 -0.24 1.95 -0.81 -1.51 0.00 0.00 177.10 176.48 1bxr n PRO 302 N 4.89 0.98 -1.48 -0.60 -0.04 -1.26 -2.95 135.00 134.55 1bxr n PRO 302 Ca -0.14 -0.38 -0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1bxr n PRO 302 Cb 0.47 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1bxr n PRO 302 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bxr n ARG 303 N 2.33 0.02 -2.59 0.54 1.85 -1.25 -4.90 116.66 112.66 1bxr n ARG 303 Ca 0.16 -0.04 -0.32 0.00 -1.00 0.00 0.00 57.85 56.65 1bxr n ARG 303 Cb 0.46 0.06 -0.04 0.00 -1.05 0.00 0.00 32.46 31.89 1bxr n ARG 303 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1bxr s VAL 304 N -2.57 4.58 0.00 8.89 -7.23 -1.19 -4.05 120.40 118.82 1bxr s VAL 304 Ca 0.01 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1bxr s VAL 304 Cb -0.00 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1bxr s VAL 304 CO 0.00 -0.58 0.00 -1.54 -0.31 0.00 0.00 175.10 172.68 1bxr n SER 305 N -1.33 0.78 0.08 4.85 3.41 -1.26 -4.72 113.62 115.43 1bxr n SER 305 Ca 0.05 -0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 57.53 1bxr n SER 305 Cb 0.54 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1bxr n SER 305 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1bxr h ARG 306 N 0.00 0.44 0.00 4.33 0.11 -1.97 -3.06 114.38 114.24 1bxr h ARG 306 Ca 0.00 -0.53 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 1bxr h ARG 306 Cb 0.00 0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 1bxr h ARG 306 CO 0.00 1.18 -0.14 0.77 0.10 0.00 0.00 179.97 181.89 1bxr h SER 307 N 0.22 0.00 -0.45 0.08 0.02 -1.99 -2.38 113.55 109.05 1bxr h SER 307 Ca -0.11 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1bxr h SER 307 Cb 1.71 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.23 1bxr h SER 307 CO 0.18 0.14 0.14 0.77 -1.14 0.00 0.00 176.83 176.92 1bxr h SER 308 N 0.00 0.66 -0.33 3.07 4.64 -1.92 0.29 113.55 119.97 1bxr h SER 308 Ca -0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1bxr h SER 308 Cb 0.29 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1bxr h SER 308 CO 0.02 0.70 0.13 0.00 -0.87 0.00 0.00 176.83 176.80 1bxr h ALA 309 N 0.99 0.42 -0.60 5.18 0.00 -1.46 0.38 119.26 124.18 1bxr h ALA 309 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 309 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1bxr h ALA 309 CO -0.00 0.03 0.20 1.25 0.00 0.00 0.00 179.25 180.73 1bxr h LEU 310 N 0.38 0.85 -0.59 0.00 5.85 -1.35 -0.01 115.31 120.43 1bxr h LEU 310 Ca 0.11 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1bxr h LEU 310 Cb 0.19 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1bxr h LEU 310 CO -0.01 0.82 0.19 0.00 -0.34 0.00 0.00 178.44 179.10 1bxr h ALA 311 N 1.07 0.77 -0.10 1.25 0.00 -0.72 0.33 119.26 121.86 1bxr h ALA 311 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 311 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bxr h ALA 311 CO -0.01 0.43 0.05 0.77 0.00 0.00 0.00 179.25 180.50 1bxr h SER 312 N 0.83 0.13 0.08 0.00 0.02 0.06 -1.20 113.55 113.47 1bxr h SER 312 Ca 0.19 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1bxr h SER 312 Cb 0.28 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1bxr h SER 312 CO -0.01 0.19 -0.31 0.11 -1.14 0.00 0.00 176.83 175.67 1bxr h LYS 313 N 0.06 0.35 -0.15 3.45 1.79 -0.78 -0.45 116.57 120.85 1bxr h LYS 313 Ca 0.04 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 1bxr h LYS 313 Cb 0.09 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1bxr h LYS 313 CO -0.01 0.63 -0.37 0.00 -1.08 0.00 0.00 179.45 178.62 1bxr h ALA 314 N 1.37 1.09 0.00 3.86 0.00 0.12 -3.33 119.26 122.37 1bxr h ALA 314 Ca 0.04 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1bxr h ALA 314 Cb 0.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1bxr h ALA 314 CO 0.05 0.58 -1.84 0.25 0.00 0.00 0.00 179.25 178.29 1bxr n THR 315 N -4.05 0.66 -0.18 0.00 -2.24 -0.50 -4.98 114.28 102.99 1bxr n THR 315 Ca -0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1bxr n THR 315 Cb 0.46 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1bxr n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 316 N 2.05 0.71 3.53 3.38 0.00 -0.19 -2.38 105.19 112.29 1bxr n GLY 316 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1bxr n GLY 316 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bxr s PHE 317 N -2.23 3.20 -1.40 1.61 2.19 -1.14 -4.69 117.98 115.51 1bxr s PHE 317 Ca 0.00 -0.07 -0.15 0.00 0.33 0.00 0.00 56.93 57.05 1bxr s PHE 317 Cb 0.00 -2.75 0.02 0.00 -1.31 0.00 0.00 43.02 38.98 1bxr s PHE 317 CO 0.00 -0.50 2.23 -0.35 1.83 0.00 0.00 175.22 178.43 1bxr n PRO 318 N 5.48 2.76 -0.36 10.12 -0.04 -1.26 -3.98 135.00 147.71 1bxr n PRO 318 Ca -0.08 -2.51 -0.05 0.00 -0.04 0.00 0.00 63.50 60.81 1bxr n PRO 318 Cb 0.49 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 1bxr n PRO 318 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1bxr n ILE 319 N 5.12 -0.54 -0.26 0.52 5.41 -1.26 -1.34 119.36 127.00 1bxr n ILE 319 Ca 0.53 2.14 -0.01 0.00 1.00 0.00 0.00 62.75 66.41 1bxr n ILE 319 Cb 0.38 -2.74 0.18 0.00 -0.71 0.00 0.00 39.64 36.75 1bxr n ILE 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bxr h ALA 320 N 0.84 1.32 -0.12 -1.39 0.00 -1.92 0.39 119.26 118.38 1bxr h ALA 320 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1bxr h ALA 320 Cb 0.45 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bxr h ALA 320 CO -0.87 0.57 -0.08 -0.22 0.00 0.00 0.00 179.25 178.66 1bxr h LYS 321 N 1.10 0.27 -0.21 0.00 3.64 -1.65 -0.13 116.57 119.60 1bxr h LYS 321 Ca 0.29 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1bxr h LYS 321 Cb -0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1bxr h LYS 321 CO -0.05 0.63 0.13 0.28 -2.27 0.00 0.00 179.45 178.16 1bxr h VAL 322 N -0.09 1.08 -0.89 2.00 2.07 -0.79 -2.66 116.25 116.96 1bxr h VAL 322 Ca 0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1bxr h VAL 322 Cb 0.55 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1bxr h VAL 322 CO 0.02 0.07 0.59 0.00 0.02 0.00 0.00 177.57 178.27 1bxr h ALA 323 N 1.04 1.42 -0.67 1.67 0.00 -0.20 -1.31 119.26 121.21 1bxr h ALA 323 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 323 Cb 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1bxr h ALA 323 CO -0.01 0.50 0.44 0.00 0.00 0.00 0.00 179.25 180.18 1bxr h ALA 324 N 1.47 0.86 -0.32 0.00 0.00 -0.68 -2.62 119.26 117.96 1bxr h ALA 324 Ca 0.35 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1bxr h ALA 324 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1bxr h ALA 324 CO -0.10 0.26 -0.28 0.87 0.00 0.00 0.00 179.25 180.00 1bxr h LYS 325 N 0.89 0.66 0.00 0.00 1.57 -1.05 -2.83 116.57 115.82 1bxr h LYS 325 Ca 0.25 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1bxr h LYS 325 Cb -0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1bxr h LYS 325 CO -0.06 0.87 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.45 1bxr h LEU 326 N 0.57 0.00 -1.28 2.94 4.07 -1.04 -1.70 115.31 118.87 1bxr h LEU 326 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1bxr h LEU 326 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1bxr h LEU 326 CO 0.06 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 1bxr h ALA 327 N 1.84 1.00 -0.55 1.53 0.00 -1.21 -2.91 119.26 118.97 1bxr h ALA 327 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1bxr h ALA 327 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1bxr h ALA 327 CO 0.02 0.00 0.15 1.33 0.00 0.00 0.00 179.25 180.76 1bxr n VAL 328 N -2.93 2.71 -0.00 0.00 0.24 -0.66 -4.56 118.33 113.12 1bxr n VAL 328 Ca 0.01 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1bxr n VAL 328 Cb 0.30 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1bxr n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 329 N -0.54 0.74 3.75 7.63 0.00 -1.10 -0.37 105.19 115.30 1bxr n GLY 329 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1bxr n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 330 N -2.25 2.40 0.12 1.61 2.02 -1.06 -4.20 117.35 115.99 1bxr s TYR 330 Ca 0.00 1.60 0.10 0.00 -0.37 0.00 0.00 57.07 58.40 1bxr s TYR 330 Cb 0.00 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1bxr s TYR 330 CO 0.00 -1.99 -0.24 0.95 -1.57 0.00 0.00 175.55 172.70 1bxr s THR 331 N -2.84 2.45 0.27 -0.71 -4.23 -1.26 -4.43 115.64 104.89 1bxr s THR 331 Ca 0.62 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1bxr s THR 331 Cb -0.18 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 71.84 1bxr s THR 331 CO 0.56 0.11 1.66 -0.07 -0.54 0.00 0.00 174.62 176.34 1bxr h LEU 332 N 3.89 -0.04 -2.48 4.79 3.38 -1.93 0.34 115.31 123.27 1bxr h LEU 332 Ca -0.50 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1bxr h LEU 332 Cb 1.17 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1bxr h LEU 332 CO 0.42 -0.11 -0.01 -2.24 0.09 0.00 0.00 178.44 176.58 1bxr h ASP 333 N 0.22 0.00 0.95 -0.43 2.03 -1.92 -2.19 116.42 115.09 1bxr h ASP 333 Ca 0.48 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.57 1bxr h ASP 333 Cb 0.90 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.36 1bxr h ASP 333 CO -0.60 0.01 -1.08 -0.33 -1.03 0.00 0.00 179.24 176.21 1bxr h GLU 334 N 0.00 0.00 -6.70 4.15 5.08 -0.73 -3.44 114.58 112.93 1bxr h GLU 334 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1bxr h GLU 334 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1bxr h GLU 334 CO 0.00 0.84 0.12 -0.51 -1.00 0.00 0.00 179.01 178.46 1bxr s LEU 335 N -6.55 4.15 0.01 1.33 1.43 -0.84 -4.99 118.68 113.22 1bxr s LEU 335 Ca 0.00 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1bxr s LEU 335 Cb 0.09 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1bxr s LEU 335 CO 0.81 -0.14 0.16 -0.04 0.23 0.00 0.00 176.35 177.37 1bxr s MET 336 N -2.66 3.31 -0.64 1.70 -1.94 -1.26 -0.27 119.30 117.53 1bxr s MET 336 Ca 0.51 -0.40 -0.28 0.00 -1.71 0.00 0.00 55.69 53.81 1bxr s MET 336 Cb -0.12 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.74 1bxr s MET 336 CO 0.18 0.65 1.22 1.21 -0.01 0.00 0.00 175.02 178.28 1bxr s ASN 337 N -2.00 6.33 0.09 3.03 2.47 0.53 -4.57 114.94 120.82 1bxr s ASN 337 Ca 0.27 -0.13 -0.18 0.00 0.42 0.00 0.00 52.86 53.25 1bxr s ASN 337 Cb -0.12 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 1bxr s ASN 337 CO 0.19 -1.62 1.10 0.47 -3.72 0.00 0.00 177.10 173.52 1bxr n ASP 338 N 8.78 -0.60 -0.28 -4.21 9.92 -1.26 -1.40 116.55 127.49 1bxr n ASP 338 Ca 0.06 1.24 -0.06 0.00 -0.53 0.00 0.00 54.79 55.50 1bxr n ASP 338 Cb 0.49 -0.24 0.06 0.00 -0.64 0.00 0.00 41.12 40.79 1bxr n ASP 338 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1bxr h ILE 339 N 0.00 1.25 -0.85 0.53 3.07 -1.91 -2.69 117.51 116.90 1bxr h ILE 339 Ca 0.09 -0.74 -0.57 0.00 1.55 0.00 0.00 64.86 65.19 1bxr h ILE 339 Cb 0.23 0.29 -0.12 0.00 -0.27 0.00 0.00 36.82 36.95 1bxr h ILE 339 CO -0.53 0.31 1.46 0.35 -1.05 0.00 0.00 178.15 178.68 1bxr n THR 340 N -4.35 4.14 -2.95 0.16 -2.24 -1.08 -3.39 114.28 104.58 1bxr n THR 340 Ca 0.07 -3.28 -0.14 0.00 -2.27 0.00 0.00 64.05 58.42 1bxr n THR 340 Cb 0.15 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.41 1bxr n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 341 N 1.70 -0.10 2.65 3.38 0.00 -1.02 -0.10 105.19 111.70 1bxr n GLY 341 Ca 0.57 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 1bxr n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 342 N -1.17 0.83 0.15 -0.02 0.00 -0.49 -4.84 105.19 99.65 1bxr n GLY 342 Ca -0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1bxr n GLY 342 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bxr h ARG 343 N 0.11 0.44 -6.21 1.61 3.08 -0.70 -3.44 114.38 109.27 1bxr h ARG 343 Ca -0.16 -0.33 -0.58 0.00 0.07 0.00 0.00 59.98 58.99 1bxr h ARG 343 Cb 0.93 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 1bxr h ARG 343 CO 0.23 0.96 -0.58 0.95 -1.07 0.00 0.00 179.97 180.46 1bxr s THR 344 N -3.77 4.41 1.12 2.04 -4.23 -1.25 -4.98 115.64 108.98 1bxr s THR 344 Ca -0.13 -1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 59.07 1bxr s THR 344 Cb 0.05 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1bxr s THR 344 CO 0.80 -0.11 1.16 -0.81 -0.54 0.00 0.00 174.62 175.13 1bxr n PRO 345 N -0.31 -2.43 0.00 3.99 -0.04 -1.26 0.20 135.00 135.14 1bxr n PRO 345 Ca -0.08 -1.83 0.11 0.00 -0.04 0.00 0.00 63.50 61.65 1bxr n PRO 345 Cb 0.55 -1.51 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1bxr n PRO 345 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr n ALA 346 N -4.47 3.89 -2.21 0.55 0.00 0.62 -3.23 120.51 115.66 1bxr n ALA 346 Ca -0.21 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1bxr n ALA 346 Cb 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1bxr n ALA 346 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bxr n SER 347 N -1.15 4.55 -3.71 0.00 3.41 -1.17 -4.90 113.62 110.65 1bxr n SER 347 Ca 0.07 -2.93 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 1bxr n SER 347 Cb 0.35 -1.63 -0.02 0.00 -0.26 0.00 0.00 64.21 62.65 1bxr n SER 347 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bxr s PHE 348 N 2.66 -0.31 -0.19 7.33 -0.71 -1.26 -4.96 117.98 120.54 1bxr s PHE 348 Ca 0.47 -0.06 -0.06 0.00 -1.04 0.00 0.00 56.93 56.23 1bxr s PHE 348 Cb 0.09 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.52 1bxr s PHE 348 CO -0.02 -1.10 0.03 -1.21 -1.34 0.00 0.00 175.22 171.58 1bxr s GLU 349 N -3.86 3.82 0.66 1.99 2.02 -1.26 -4.83 118.70 117.24 1bxr s GLU 349 Ca 0.08 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.47 1bxr s GLU 349 Cb -0.04 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1bxr s GLU 349 CO 0.00 0.18 1.19 -2.14 0.02 0.00 0.00 175.26 174.51 1bxr s PRO 350 N 0.59 2.61 -0.05 0.39 0.02 -1.26 -5.02 135.00 132.29 1bxr s PRO 350 Ca 0.01 1.72 0.01 0.00 0.02 0.00 0.00 61.00 62.77 1bxr s PRO 350 Cb -0.13 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1bxr s PRO 350 CO 0.02 -1.46 -0.07 0.45 -0.33 0.00 0.00 177.00 175.61 1bxr s SER 351 N -1.95 1.13 0.06 2.53 0.15 -0.58 -4.97 113.70 110.07 1bxr s SER 351 Ca 0.74 -0.17 0.09 0.00 0.70 0.00 0.00 55.95 57.31 1bxr s SER 351 Cb -0.28 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 1bxr s SER 351 CO 0.39 -0.02 -0.25 0.27 1.20 0.00 0.00 173.24 174.83 1bxr s ILE 352 N 0.76 2.04 -0.52 6.45 -4.36 -1.26 -1.31 121.20 122.99 1bxr s ILE 352 Ca -0.12 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 58.90 1bxr s ILE 352 Cb -0.14 -1.76 0.42 0.00 1.25 0.00 0.00 42.46 42.23 1bxr s ILE 352 CO 0.01 0.28 1.47 -0.90 0.24 0.00 0.00 174.94 176.04 1bxr n ASP 353 N 1.65 5.83 -3.35 4.36 5.75 -1.26 -4.89 116.55 124.65 1bxr n ASP 353 Ca -0.17 -3.76 -0.05 0.00 -0.01 0.00 0.00 54.79 50.80 1bxr n ASP 353 Cb 0.52 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 1bxr n ASP 353 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1bxr s TYR 354 N -3.71 0.03 -0.07 2.11 -0.85 -1.26 -4.85 117.35 108.75 1bxr s TYR 354 Ca 0.52 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.64 1bxr s TYR 354 Cb 0.43 0.73 -0.01 0.00 0.38 0.00 0.00 41.96 43.48 1bxr s TYR 354 CO -0.15 -1.08 -0.24 0.08 -1.52 0.00 0.00 175.55 172.64 1bxr s VAL 355 N -2.49 2.17 -0.12 -3.49 1.01 -0.09 -4.70 120.40 112.69 1bxr s VAL 355 Ca 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1bxr s VAL 355 Cb -0.03 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1bxr s VAL 355 CO 0.06 0.57 0.00 -0.69 0.00 0.00 0.00 175.10 175.04 1bxr s VAL 356 N -0.08 4.28 -0.01 2.92 1.01 -0.74 -1.99 120.40 125.79 1bxr s VAL 356 Ca -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1bxr s VAL 356 Cb -0.14 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1bxr s VAL 356 CO 0.05 0.55 -0.17 -0.89 0.00 0.00 0.00 175.10 174.63 1bxr s THR 357 N -0.32 1.38 -0.06 3.92 2.01 0.13 -2.03 115.64 120.66 1bxr s THR 357 Ca 0.07 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1bxr s THR 357 Cb -0.12 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1bxr s THR 357 CO 0.02 0.35 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.39 1bxr s LYS 358 N -0.50 1.89 -0.07 4.92 2.36 0.76 -1.36 119.74 127.74 1bxr s LYS 358 Ca 0.06 -0.58 0.02 0.00 -2.55 0.00 0.00 55.97 52.93 1bxr s LYS 358 Cb -0.07 -1.58 0.01 0.00 -1.05 0.00 0.00 37.83 35.14 1bxr s LYS 358 CO -0.00 0.17 -0.13 0.42 1.55 0.00 0.00 175.35 177.36 1bxr s ILE 359 N 0.25 1.20 0.71 5.43 1.01 -0.59 -1.60 121.20 127.61 1bxr s ILE 359 Ca -0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 1bxr s ILE 359 Cb -0.13 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.26 1bxr s ILE 359 CO 0.03 0.37 1.07 -2.16 0.00 0.00 0.00 174.94 174.25 1bxr s PRO 360 N 0.61 2.83 -0.14 2.79 0.04 -1.26 -1.07 135.00 138.79 1bxr s PRO 360 Ca -0.14 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1bxr s PRO 360 Cb -0.16 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1bxr s PRO 360 CO 0.04 -1.15 -0.15 0.50 0.04 0.00 0.00 177.00 176.27 1bxr s ARG 361 N -5.09 3.26 0.54 4.56 6.06 -0.08 -4.85 118.95 123.35 1bxr s ARG 361 Ca 0.58 -0.74 0.04 0.00 -2.50 0.00 0.00 55.73 53.11 1bxr s ARG 361 Cb -0.14 -2.60 0.03 0.00 0.06 0.00 0.00 34.95 32.30 1bxr s ARG 361 CO 0.55 0.10 0.30 -0.06 -2.50 0.00 0.00 175.30 173.68 1bxr s PHE 362 N 0.62 1.68 -0.37 5.12 0.40 -1.26 -0.93 117.98 123.24 1bxr s PHE 362 Ca -0.09 -0.88 0.12 0.00 -0.60 0.00 0.00 56.93 55.49 1bxr s PHE 362 Cb -0.16 -1.83 0.41 0.00 0.51 0.00 0.00 43.02 41.95 1bxr s PHE 362 CO 0.03 -0.29 1.16 0.09 0.70 0.00 0.00 175.22 176.91 1bxr n ASN 363 N -1.63 -0.51 0.24 1.36 5.03 -1.26 -4.89 115.26 113.59 1bxr n ASN 363 Ca -0.07 -2.66 0.11 0.00 0.87 0.00 0.00 54.58 52.84 1bxr n ASN 363 Cb 0.65 0.40 0.54 0.00 -1.02 0.00 0.00 39.78 40.35 1bxr n ASN 363 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1bxr h PHE 364 N 2.49 0.00 0.00 3.10 0.04 -1.93 -2.62 116.94 118.01 1bxr h PHE 364 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1bxr h PHE 364 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1bxr h PHE 364 CO 0.30 0.18 0.00 1.05 -0.60 0.00 0.00 178.31 179.24 1bxr h GLU 365 N 0.00 0.00 0.00 1.51 9.09 -1.98 -1.24 114.58 121.96 1bxr h GLU 365 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bxr h GLU 365 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1bxr h GLU 365 CO 0.02 0.00 -0.64 0.87 0.05 0.00 0.00 179.01 179.31 1bxr h LYS 366 N 0.00 0.00 -2.43 1.06 1.57 -1.88 -3.38 116.57 111.50 1bxr h LYS 366 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1bxr h LYS 366 Cb 0.26 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.15 1bxr h LYS 366 CO 0.00 0.00 -0.61 1.19 -0.57 0.00 0.00 179.45 179.46 1bxr n PHE 367 N -2.36 3.38 -0.27 -1.35 3.72 -0.47 -5.01 117.46 115.10 1bxr n PHE 367 Ca 0.03 -4.18 -0.04 0.00 -0.05 0.00 0.00 57.45 53.21 1bxr n PHE 367 Cb 0.48 -0.56 0.01 0.00 -0.94 0.00 0.00 39.48 38.47 1bxr n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxr h ALA 368 N 4.52 -0.01 -0.41 4.37 0.00 -1.76 -2.23 119.26 123.73 1bxr h ALA 368 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1bxr h ALA 368 Cb 0.69 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1bxr h ALA 368 CO 0.79 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1bxr n GLY 369 N -1.44 1.49 3.77 0.00 0.00 -1.26 -4.93 105.19 102.82 1bxr n GLY 369 Ca 0.06 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1bxr n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 370 N -1.61 3.25 0.15 4.61 0.00 -0.84 -4.45 121.76 122.87 1bxr s ALA 370 Ca 0.31 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.58 1bxr s ALA 370 Cb 0.18 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1bxr s ALA 370 CO 0.17 0.08 1.53 1.21 0.00 0.00 0.00 175.76 178.75 1bxr s ASN 371 N -1.40 6.64 -0.24 0.00 3.84 -1.26 -4.90 114.94 117.63 1bxr s ASN 371 Ca 0.48 2.54 0.10 0.00 0.21 0.00 0.00 52.86 56.19 1bxr s ASN 371 Cb -0.23 -2.59 0.45 0.00 -0.55 0.00 0.00 41.25 38.33 1bxr s ASN 371 CO 0.29 -0.79 1.31 -0.90 -2.79 0.00 0.00 177.10 174.22 1bxr n ASP 372 N 4.02 1.97 -4.88 -4.21 5.68 -1.26 -4.97 116.55 112.91 1bxr n ASP 372 Ca 0.13 -3.87 -0.34 0.00 -0.50 0.00 0.00 54.79 50.21 1bxr n ASP 372 Cb 0.39 -0.57 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 1bxr n ASP 372 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1bxr s ARG 373 N -3.25 3.67 0.31 0.11 1.81 -1.26 -4.30 118.95 116.04 1bxr s ARG 373 Ca 0.40 0.05 -0.28 0.00 -1.72 0.00 0.00 55.73 54.18 1bxr s ARG 373 Cb 0.38 -3.03 -0.09 0.00 -0.45 0.00 0.00 34.95 31.76 1bxr s ARG 373 CO -0.05 0.60 1.08 -0.51 -0.68 0.00 0.00 175.30 175.74 1bxr s LEU 374 N -1.87 4.43 0.00 2.53 1.43 0.65 -4.97 118.68 120.88 1bxr s LEU 374 Ca 0.31 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1bxr s LEU 374 Cb -0.14 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1bxr s LEU 374 CO 0.18 -0.23 0.00 1.07 0.23 0.00 0.00 176.35 177.59 1bxr n THR 375 N 0.83 0.00 1.20 5.49 5.66 -1.26 -4.84 114.28 121.36 1bxr n THR 375 Ca 0.01 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.15 1bxr n THR 375 Cb 0.46 0.00 0.58 0.00 -1.55 0.00 0.00 70.33 69.82 1bxr n THR 375 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1bxr n THR 376 N 0.00 0.00 -3.69 1.09 -2.24 -1.24 -1.98 114.28 106.21 1bxr n THR 376 Ca 0.00 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 1bxr n THR 376 Cb 0.00 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 1bxr n THR 376 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bxr s GLN 377 N -2.77 3.53 0.31 -0.78 0.74 -1.26 -4.03 119.66 115.40 1bxr s GLN 377 Ca 0.21 -0.58 -0.28 0.00 0.05 0.00 0.00 55.36 54.76 1bxr s GLN 377 Cb 0.19 -3.46 -0.13 0.00 1.10 0.00 0.00 33.01 30.71 1bxr s GLN 377 CO 0.53 -0.29 1.16 -1.33 -0.55 0.00 0.00 175.29 174.81 1bxr n MET 378 N 4.96 1.73 0.00 1.67 2.81 0.74 -4.91 117.12 124.12 1bxr n MET 378 Ca -0.15 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1bxr n MET 378 Cb 0.50 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1bxr n MET 378 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1bxr n LYS 379 N 0.77 0.12 -2.24 0.03 5.02 -1.26 -4.84 118.16 115.76 1bxr n LYS 379 Ca 0.08 -0.25 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 1bxr n LYS 379 Cb 0.33 -0.72 -0.01 0.00 -0.02 0.00 0.00 35.03 34.62 1bxr n LYS 379 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bxr s SER 380 N -0.09 6.35 -0.02 4.39 1.04 -1.26 -4.72 113.70 119.39 1bxr s SER 380 Ca 0.00 1.32 0.14 0.00 0.48 0.00 0.00 55.95 57.89 1bxr s SER 380 Cb 0.00 -2.42 -0.22 0.00 0.10 0.00 0.00 66.02 63.49 1bxr s SER 380 CO 0.00 -0.70 0.33 1.33 0.98 0.00 0.00 173.24 175.18 1bxr n VAL 381 N -2.26 0.00 -3.32 5.02 0.24 -0.10 -4.36 118.33 113.55 1bxr n VAL 381 Ca 0.05 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1bxr n VAL 381 Cb 0.54 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1bxr n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 382 N 1.67 1.27 3.37 7.63 0.00 -1.17 -4.65 105.19 113.32 1bxr n GLY 382 Ca -0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1bxr n GLY 382 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bxr s GLU 383 N -1.36 1.14 0.14 1.61 -1.05 -1.26 -0.90 118.70 117.01 1bxr s GLU 383 Ca 0.00 -0.50 0.11 0.00 -0.15 0.00 0.00 54.97 54.43 1bxr s GLU 383 Cb 0.00 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1bxr s GLU 383 CO 0.00 -0.46 -0.26 0.54 0.95 0.00 0.00 175.26 176.03 1bxr s VAL 384 N -3.44 2.26 0.07 1.83 0.11 -0.23 -4.13 120.40 116.86 1bxr s VAL 384 Ca 0.00 -1.79 0.05 0.00 -2.93 0.00 0.00 61.98 57.32 1bxr s VAL 384 Cb 0.00 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 1bxr s VAL 384 CO -0.10 0.06 -0.15 -0.32 -3.33 0.00 0.00 175.10 171.26 1bxr s MET 385 N -2.14 0.87 0.02 1.54 0.00 -0.55 -1.54 119.30 117.50 1bxr s MET 385 Ca 0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 55.69 54.77 1bxr s MET 385 Cb -0.10 -0.91 0.01 0.00 0.00 0.00 0.00 34.83 33.83 1bxr s MET 385 CO 0.06 0.21 0.23 0.00 0.00 0.00 0.00 175.02 175.52 1bxr s ALA 386 N -1.20 -0.52 -0.02 4.11 0.00 -0.47 -4.79 121.76 118.86 1bxr s ALA 386 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1bxr s ALA 386 Cb -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1bxr s ALA 386 CO 0.02 -0.31 -0.20 0.42 0.00 0.00 0.00 175.76 175.69 1bxr s ILE 387 N -1.99 1.58 0.08 0.00 1.01 -1.26 0.17 121.20 120.79 1bxr s ILE 387 Ca -0.09 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1bxr s ILE 387 Cb -0.03 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.15 1bxr s ILE 387 CO -0.00 0.45 0.41 -0.83 0.00 0.00 0.00 174.94 174.96 1bxr s GLY 388 N -0.43 -0.27 0.36 6.18 0.00 -0.84 -4.75 107.32 107.57 1bxr s GLY 388 Ca 0.07 0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.22 1bxr s GLY 388 CO -0.00 -0.10 1.81 3.21 0.00 0.00 0.00 173.10 178.02 1bxr h ARG 389 N 2.74 0.00 -4.61 2.90 2.47 -1.87 -0.21 114.38 115.80 1bxr h ARG 389 Ca -0.32 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.17 1bxr h ARG 389 Cb 1.23 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.40 1bxr h ARG 389 CO 0.45 0.00 -0.67 0.95 0.56 0.00 0.00 179.97 181.26 1bxr s THR 390 N -3.47 0.52 0.15 2.04 -4.23 -1.26 -4.54 115.64 104.85 1bxr s THR 390 Ca 0.02 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1bxr s THR 390 Cb 0.09 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 1bxr s THR 390 CO 0.42 -0.68 1.74 -0.61 -0.54 0.00 0.00 174.62 174.95 1bxr h GLN 391 N 2.88 0.21 -0.44 3.99 5.75 -1.91 0.21 115.11 125.80 1bxr h GLN 391 Ca -0.36 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1bxr h GLN 391 Cb 1.18 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1bxr h GLN 391 CO 0.63 0.14 0.25 1.96 -2.65 0.00 0.00 178.83 179.16 1bxr h GLN 392 N 0.22 0.48 -0.67 1.69 4.20 -1.95 0.15 115.11 119.22 1bxr h GLN 392 Ca 0.14 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1bxr h GLN 392 Cb 0.12 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1bxr h GLN 392 CO -0.15 0.32 0.11 1.49 -0.67 0.00 0.00 178.83 179.92 1bxr h GLU 393 N 0.50 1.11 -0.20 1.46 4.81 -1.49 -2.22 114.58 118.55 1bxr h GLU 393 Ca 0.18 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1bxr h GLU 393 Cb 0.04 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1bxr h GLU 393 CO -0.10 1.01 0.06 1.03 -0.73 0.00 0.00 179.01 180.29 1bxr h SER 394 N 1.04 0.29 0.14 1.04 0.87 0.08 -2.53 113.55 114.47 1bxr h SER 394 Ca 0.20 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1bxr h SER 394 Cb 0.44 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1bxr h SER 394 CO 0.01 0.41 -0.07 0.25 -0.53 0.00 0.00 176.83 176.91 1bxr h LEU 395 N 0.14 -0.16 -0.98 2.23 5.85 -0.65 -2.00 115.31 119.74 1bxr h LEU 395 Ca 0.06 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1bxr h LEU 395 Cb 0.23 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1bxr h LEU 395 CO -0.00 -0.03 0.64 1.56 -0.34 0.00 0.00 178.44 180.26 1bxr h GLN 396 N -0.28 1.16 -0.57 1.25 4.20 -1.44 -0.16 115.11 119.28 1bxr h GLN 396 Ca -0.02 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1bxr h GLN 396 Cb 0.22 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1bxr h GLN 396 CO 0.03 0.77 0.07 0.87 -0.67 0.00 0.00 178.83 179.90 1bxr h LYS 397 N 1.20 0.92 -0.66 1.46 1.57 -1.32 -2.05 116.57 117.69 1bxr h LYS 397 Ca 0.41 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1bxr h LYS 397 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1bxr h LYS 397 CO -0.15 0.86 0.37 0.00 -0.57 0.00 0.00 179.45 179.96 1bxr h ALA 398 N 1.21 0.84 -0.66 3.86 0.00 -0.33 0.17 119.26 124.36 1bxr h ALA 398 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bxr h ALA 398 Cb 0.41 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1bxr h ALA 398 CO 0.01 0.35 0.38 -0.07 0.00 0.00 0.00 179.25 179.92 1bxr h LEU 399 N 0.90 0.59 0.00 0.00 3.38 -0.81 -0.44 115.31 118.93 1bxr h LEU 399 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1bxr h LEU 399 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1bxr h LEU 399 CO -0.04 0.39 -0.10 -2.11 0.09 0.00 0.00 178.44 176.68 1bxr n ARG 400 N -4.76 0.18 0.00 1.13 1.85 -0.80 -3.05 116.66 111.22 1bxr n ARG 400 Ca 0.08 0.13 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 1bxr n ARG 400 Cb 0.14 -1.69 0.22 0.00 -1.05 0.00 0.00 32.46 30.07 1bxr n ARG 400 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bxr n GLY 401 N 1.37 -1.24 0.26 2.89 0.00 0.01 -4.14 105.19 104.35 1bxr n GLY 401 Ca 0.06 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1bxr n GLY 401 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bxr h LEU 402 N 0.00 0.00 0.09 0.99 5.85 -1.06 -3.40 115.31 117.79 1bxr h LEU 402 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1bxr h LEU 402 Cb 0.51 0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.60 1bxr h LEU 402 CO 0.00 0.08 -0.40 -0.62 -0.34 0.00 0.00 178.44 177.15 1bxr n GLU 403 N -4.05 -3.69 -0.14 1.25 -0.58 -1.26 -4.72 120.64 107.46 1bxr n GLU 403 Ca -0.03 0.57 0.05 0.00 -0.42 0.00 0.00 57.16 57.34 1bxr n GLU 403 Cb 0.16 -4.75 0.13 0.00 -0.57 0.00 0.00 31.44 26.41 1bxr n GLU 403 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1bxr n VAL 404 N -4.08 0.85 -0.32 2.62 0.24 -1.26 -4.96 118.33 111.42 1bxr n VAL 404 Ca -0.05 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 1bxr n VAL 404 Cb 0.57 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1bxr n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 405 N 0.45 0.83 3.87 7.63 0.00 -1.26 -5.08 105.19 111.64 1bxr n GLY 405 Ca 0.10 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1bxr n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 406 N -2.00 3.52 -0.55 4.61 0.00 -1.26 -4.94 121.76 121.14 1bxr s ALA 406 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1bxr s ALA 406 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1bxr s ALA 406 CO 0.00 0.47 0.48 0.25 0.00 0.00 0.00 175.76 176.96 1bxr n THR 407 N -0.13 0.00 0.00 0.00 -2.24 -1.26 -4.48 114.28 106.17 1bxr n THR 407 Ca 0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1bxr n THR 407 Cb 0.52 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1bxr n THR 407 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 408 N 0.77 -0.22 2.37 3.38 0.00 -1.26 -4.31 105.19 105.92 1bxr n GLY 408 Ca 0.02 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1bxr n GLY 408 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxr n PHE 409 N 0.00 2.51 -1.75 1.61 3.72 -1.26 -4.91 117.46 117.39 1bxr n PHE 409 Ca 0.00 -3.04 -0.39 0.00 -0.05 0.00 0.00 57.45 53.97 1bxr n PHE 409 Cb 0.00 -2.37 0.03 0.00 -0.94 0.00 0.00 39.48 36.20 1bxr n PHE 409 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1bxr n ASP 410 N 3.34 2.94 -4.79 4.37 8.00 -1.26 -4.94 116.55 124.20 1bxr n ASP 410 Ca 0.74 1.04 -0.35 0.00 0.71 0.00 0.00 54.79 56.93 1bxr n ASP 410 Cb 0.24 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 39.71 1bxr n ASP 410 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1bxr s PRO 411 N -2.66 4.12 -0.25 -0.24 0.05 -1.26 -4.91 135.00 129.85 1bxr s PRO 411 Ca 0.67 1.38 -0.03 0.00 0.05 0.00 0.00 61.00 63.07 1bxr s PRO 411 Cb -0.44 -2.38 -0.14 0.00 0.05 0.00 0.00 34.50 31.59 1bxr s PRO 411 CO 0.53 -0.16 -0.25 1.17 0.05 0.00 0.00 177.00 178.34 1bxr n LYS 412 N -0.35 0.59 -4.38 4.56 3.00 -1.26 -5.00 118.16 115.31 1bxr n LYS 412 Ca 0.06 0.17 -0.29 0.00 -0.00 0.00 0.00 58.31 58.25 1bxr n LYS 412 Cb 0.51 -1.46 -0.13 0.00 0.00 0.00 0.00 35.03 33.95 1bxr n LYS 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1bxr s VAL 413 N -2.48 2.43 0.50 3.15 -7.23 -1.26 -5.12 120.40 110.39 1bxr s VAL 413 Ca -0.34 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 1bxr s VAL 413 Cb 0.10 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 1bxr s VAL 413 CO 0.52 0.10 1.09 -0.55 -0.31 0.00 0.00 175.10 175.95 1bxr s SER 414 N -2.06 6.09 0.27 4.85 0.15 -1.26 -4.95 113.70 116.78 1bxr s SER 414 Ca 0.15 2.07 0.01 0.00 0.70 0.00 0.00 55.95 58.88 1bxr s SER 414 Cb -0.10 -2.57 0.36 0.00 -1.71 0.00 0.00 66.02 62.00 1bxr s SER 414 CO 0.07 -0.96 1.71 -0.07 1.20 0.00 0.00 173.24 175.19 1bxr h LEU 415 N 1.50 0.56 -0.43 3.45 3.38 -2.00 -2.96 115.31 118.82 1bxr h LEU 415 Ca -0.50 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1bxr h LEU 415 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bxr h LEU 415 CO 0.58 0.79 0.00 -0.90 0.09 0.00 0.00 178.44 179.00 1bxr n ASP 416 N -4.13 0.64 -4.60 -0.43 5.68 -1.26 -4.78 116.55 107.67 1bxr n ASP 416 Ca -0.00 -1.57 -0.43 0.00 -0.50 0.00 0.00 54.79 52.29 1bxr n ASP 416 Cb 0.40 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 1bxr n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1bxr s ASP 417 N -1.53 6.68 0.42 -1.12 2.15 -1.12 -4.89 116.67 117.27 1bxr s ASP 417 Ca 0.28 0.55 0.09 0.00 0.43 0.00 0.00 52.55 53.89 1bxr s ASP 417 Cb 0.14 -2.52 0.91 0.00 -0.30 0.00 0.00 42.92 41.15 1bxr s ASP 417 CO 0.22 -1.08 2.06 1.55 -0.17 0.00 0.00 175.17 177.74 1bxr h PRO 418 N 8.85 0.48 -0.10 4.34 0.14 -1.90 -1.06 132.00 142.75 1bxr h PRO 418 Ca -0.23 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.88 1bxr h PRO 418 Cb 1.07 -0.11 0.00 0.00 0.14 0.00 0.00 31.00 32.10 1bxr h PRO 418 CO 1.07 0.32 0.00 0.39 0.14 0.00 0.00 178.00 179.92 1bxr n GLU 419 N -4.48 1.58 -0.38 0.86 1.02 -1.26 -4.34 120.64 113.65 1bxr n GLU 419 Ca 0.03 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1bxr n GLU 419 Cb 0.10 -1.41 0.14 0.00 -0.02 0.00 0.00 31.44 30.26 1bxr n GLU 419 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr h ALA 420 N 4.06 1.34 -0.08 0.62 0.00 -1.51 -2.43 119.26 121.25 1bxr h ALA 420 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bxr h ALA 420 Cb 0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bxr h ALA 420 CO 0.00 0.55 0.07 -0.07 0.00 0.00 0.00 179.25 179.80 1bxr h LEU 421 N 1.27 0.00 0.01 0.00 3.38 -1.79 -1.02 115.31 117.16 1bxr h LEU 421 Ca 0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 1bxr h LEU 421 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1bxr h LEU 421 CO -0.13 0.00 -0.47 0.74 0.09 0.00 0.00 178.44 178.67 1bxr h THR 422 N 0.00 1.49 -0.22 0.22 2.02 -1.76 -1.27 112.91 113.40 1bxr h THR 422 Ca 0.04 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 1bxr h THR 422 Cb 0.18 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1bxr h THR 422 CO -0.00 0.59 0.13 0.11 0.37 0.00 0.00 175.52 176.72 1bxr h LYS 423 N -0.30 0.29 -0.08 6.66 1.57 -1.32 -2.10 116.57 121.29 1bxr h LYS 423 Ca -0.06 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1bxr h LYS 423 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1bxr h LYS 423 CO 0.09 0.22 -0.06 0.82 -0.57 0.00 0.00 179.45 179.96 1bxr h ILE 424 N 0.27 0.82 -0.83 1.86 2.04 -1.29 -0.74 117.51 119.65 1bxr h ILE 424 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1bxr h ILE 424 Cb 0.01 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1bxr h ILE 424 CO -0.02 0.00 0.54 -0.09 0.00 0.00 0.00 178.15 178.59 1bxr h ARG 425 N -0.07 0.93 -0.24 2.37 2.43 -0.95 -1.88 114.38 116.97 1bxr h ARG 425 Ca 0.05 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1bxr h ARG 425 Cb 0.15 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1bxr h ARG 425 CO -0.12 0.62 -0.31 -0.09 -1.51 0.00 0.00 179.97 178.56 1bxr h ARG 426 N 0.96 0.63 0.00 0.20 1.12 -1.02 -1.24 114.38 115.04 1bxr h ARG 426 Ca 0.34 -0.36 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1bxr h ARG 426 Cb 0.14 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1bxr h ARG 426 CO -0.11 0.97 -0.13 0.93 -3.11 0.00 0.00 179.97 178.51 1bxr h GLU 427 N 0.34 0.00 0.22 0.20 4.39 -0.48 -1.74 114.58 117.50 1bxr h GLU 427 Ca 0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 1bxr h GLU 427 Cb 0.88 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1bxr h GLU 427 CO 0.07 0.13 -1.56 -0.07 -1.16 0.00 0.00 179.01 176.42 1bxr h LEU 428 N 0.00 0.72 -0.50 1.33 4.07 -1.28 -3.29 115.31 116.36 1bxr h LEU 428 Ca -0.00 -0.93 -0.12 0.00 0.08 0.00 0.00 57.88 56.91 1bxr h LEU 428 Cb 0.25 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1bxr h LEU 428 CO 0.02 1.73 -0.15 0.50 -1.08 0.00 0.00 178.44 179.46 1bxr h LYS 429 N 0.08 0.98 -3.54 1.13 3.64 -0.95 -3.36 116.57 114.54 1bxr h LYS 429 Ca -0.29 -0.39 -0.60 0.00 -1.27 0.00 0.00 60.65 58.10 1bxr h LYS 429 Cb 2.10 -0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 33.47 1bxr h LYS 429 CO 0.22 1.06 -0.75 -0.51 -2.27 0.00 0.00 179.45 177.20 1bxr s ASP 430 N -6.63 4.02 0.30 4.20 1.01 -0.68 -4.88 116.67 114.01 1bxr s ASP 430 Ca -0.12 -1.98 -0.29 0.00 0.71 0.00 0.00 52.55 50.87 1bxr s ASP 430 Cb 0.12 -1.01 -0.10 0.00 1.01 0.00 0.00 42.92 42.94 1bxr s ASP 430 CO 0.86 -0.37 1.42 0.00 0.21 0.00 0.00 175.17 177.29 1bxr s ALA 431 N 1.17 3.59 0.00 5.23 0.00 -1.24 -4.50 121.76 126.02 1bxr s ALA 431 Ca 0.12 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1bxr s ALA 431 Cb -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1bxr s ALA 431 CO -0.16 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1bxr n GLY 432 N 1.51 4.74 0.08 0.00 0.00 -1.26 -0.26 105.19 110.00 1bxr n GLY 432 Ca 0.04 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.04 1bxr n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr n ALA 433 N -3.00 1.97 1.02 4.61 0.00 -1.26 -3.54 120.51 120.31 1bxr n ALA 433 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1bxr n ALA 433 Cb 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.10 1bxr n ALA 433 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bxr n ASP 434 N -1.98 2.23 -0.30 0.00 9.92 -1.26 -4.71 116.55 120.45 1bxr n ASP 434 Ca 0.04 -1.62 0.12 0.00 -0.53 0.00 0.00 54.79 52.81 1bxr n ASP 434 Cb 0.30 0.32 0.27 0.00 -0.64 0.00 0.00 41.12 41.37 1bxr n ASP 434 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1bxr h ARG 435 N 2.99 0.13 -0.82 -1.24 2.43 -1.85 0.25 114.38 116.27 1bxr h ARG 435 Ca 0.00 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1bxr h ARG 435 Cb 0.81 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 1bxr h ARG 435 CO 0.00 0.09 0.54 0.97 -1.51 0.00 0.00 179.97 180.06 1bxr h ILE 436 N 0.14 0.92 -0.27 1.20 6.09 -1.89 0.29 117.51 123.98 1bxr h ILE 436 Ca 0.54 -0.25 -0.17 0.00 -1.37 0.00 0.00 64.86 63.61 1bxr h ILE 436 Cb 1.08 0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1bxr h ILE 436 CO -0.72 0.13 -0.50 -0.50 -3.07 0.00 0.00 178.15 173.50 1bxr h TRP 437 N 0.73 1.02 0.00 2.19 6.55 -1.31 -2.71 115.95 122.42 1bxr h TRP 437 Ca 0.39 -0.36 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1bxr h TRP 437 Cb 0.51 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1bxr h TRP 437 CO -0.00 1.18 -0.09 1.88 -1.05 0.00 0.00 178.44 180.35 1bxr h TYR 438 N 0.58 0.00 -0.24 0.49 0.05 -0.50 -1.96 116.97 115.38 1bxr h TYR 438 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1bxr h TYR 438 Cb 1.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 1bxr h TYR 438 CO 0.08 0.09 0.00 0.82 -1.05 0.00 0.00 178.16 178.10 1bxr h ILE 439 N 0.00 1.26 -0.65 -2.88 2.04 -0.22 0.20 117.51 117.25 1bxr h ILE 439 Ca -0.00 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1bxr h ILE 439 Cb 0.29 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1bxr h ILE 439 CO 0.01 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.57 1bxr h ALA 440 N 0.81 0.86 0.00 1.87 0.00 -1.34 -1.22 119.26 120.24 1bxr h ALA 440 Ca 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1bxr h ALA 440 Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bxr h ALA 440 CO 0.01 0.61 -0.06 -0.44 0.00 0.00 0.00 179.25 179.37 1bxr h ASP 441 N 0.98 0.00 -0.44 0.00 3.32 -1.11 -0.51 116.42 118.66 1bxr h ASP 441 Ca 0.20 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1bxr h ASP 441 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1bxr h ASP 441 CO 0.01 0.06 0.02 0.00 -1.72 0.00 0.00 179.24 177.60 1bxr h ALA 442 N 1.94 0.60 -0.18 3.45 0.00 0.27 -1.35 119.26 123.99 1bxr h ALA 442 Ca -0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1bxr h ALA 442 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bxr h ALA 442 CO 0.01 0.37 -0.52 0.74 0.00 0.00 0.00 179.25 179.85 1bxr h PHE 443 N 0.62 0.62 -0.27 0.00 0.04 -0.96 -1.69 116.94 115.30 1bxr h PHE 443 Ca 0.13 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1bxr h PHE 443 Cb 0.47 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1bxr h PHE 443 CO 0.04 0.92 0.07 0.00 -0.60 0.00 0.00 178.31 178.73 1bxr h ARG 444 N 0.39 0.39 -0.23 1.51 3.08 -0.94 -2.70 114.38 115.87 1bxr h ARG 444 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1bxr h ARG 444 Cb 1.04 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1bxr h ARG 444 CO 0.10 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1bxr n ALA 445 N -2.49 2.49 -0.22 0.04 0.00 -0.52 -4.93 120.51 114.88 1bxr n ALA 445 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1bxr n ALA 445 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1bxr n ALA 445 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 446 N 1.05 0.65 3.79 0.00 0.00 -1.02 -5.06 105.19 104.60 1bxr n GLY 446 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1bxr n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 447 N 0.00 3.66 0.61 0.99 1.43 -0.68 -5.03 118.68 119.66 1bxr s LEU 447 Ca 0.00 1.93 -0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1bxr s LEU 447 Cb 0.00 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1bxr s LEU 447 CO 0.00 -1.07 0.89 -0.94 0.23 0.00 0.00 176.35 175.46 1bxr s SER 448 N -2.32 5.28 0.30 2.29 1.04 -1.26 -4.55 113.70 114.47 1bxr s SER 448 Ca 0.67 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 1bxr s SER 448 Cb -0.18 -1.30 0.45 0.00 0.10 0.00 0.00 66.02 65.09 1bxr s SER 448 CO 0.29 -1.23 1.90 0.58 0.98 0.00 0.00 173.24 175.77 1bxr h VAL 449 N -0.21 1.21 -0.74 5.02 2.07 -1.96 -1.96 116.25 119.68 1bxr h VAL 449 Ca -0.44 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1bxr h VAL 449 Cb 1.29 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1bxr h VAL 449 CO 0.58 0.25 0.25 0.44 0.02 0.00 0.00 177.57 179.11 1bxr h ASP 450 N 0.91 1.05 -0.69 0.57 3.32 -1.99 -0.37 116.42 119.22 1bxr h ASP 450 Ca 0.22 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1bxr h ASP 450 Cb 0.10 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1bxr h ASP 450 CO -0.03 0.97 0.20 1.23 -1.72 0.00 0.00 179.24 179.89 1bxr h GLY 451 N 1.12 1.17 1.38 2.75 0.00 -1.81 -0.43 103.07 107.25 1bxr h GLY 451 Ca 0.24 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 1bxr h GLY 451 CO -0.01 0.66 -0.41 -2.08 0.00 0.00 0.00 176.54 174.70 1bxr h VAL 452 N 1.03 1.29 0.36 4.60 2.07 -1.18 -2.96 116.25 121.46 1bxr h VAL 452 Ca 0.22 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1bxr h VAL 452 Cb 0.32 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1bxr h VAL 452 CO -0.00 0.51 -0.17 0.15 0.02 0.00 0.00 177.57 178.07 1bxr h PHE 453 N 0.55 -0.44 -0.88 1.57 3.04 -0.80 -1.22 116.94 118.76 1bxr h PHE 453 Ca 0.04 -0.01 0.23 0.00 3.98 0.00 0.00 57.97 62.21 1bxr h PHE 453 Cb 0.94 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.55 1bxr h PHE 453 CO 0.04 -0.18 0.60 -0.91 -2.02 0.00 0.00 178.31 175.85 1bxr h ASN 454 N -0.64 0.20 0.29 0.41 2.35 -1.03 0.29 115.58 117.46 1bxr h ASN 454 Ca -0.05 0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 1bxr h ASN 454 Cb 0.46 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 38.84 1bxr h ASN 454 CO 0.08 0.08 -1.58 -0.07 -1.65 0.00 0.00 177.43 174.29 1bxr h LEU 455 N 0.20 0.66 0.00 1.61 3.38 -1.34 -3.41 115.31 116.42 1bxr h LEU 455 Ca 0.44 -0.83 -0.37 0.00 0.09 0.00 0.00 57.88 57.20 1bxr h LEU 455 Cb 1.41 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1bxr h LEU 455 CO -0.09 1.68 -2.38 0.35 0.09 0.00 0.00 178.44 178.09 1bxr n THR 456 N -3.62 1.43 -1.18 0.22 -2.24 -0.48 -4.22 114.28 104.19 1bxr n THR 456 Ca -0.19 -0.79 -0.06 0.00 -2.27 0.00 0.00 64.05 60.74 1bxr n THR 456 Cb 1.08 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1bxr n THR 456 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bxr n ASN 457 N -2.89 -4.20 -4.71 3.42 5.03 0.99 -4.68 115.26 108.22 1bxr n ASN 457 Ca -0.35 0.15 -0.42 0.00 0.87 0.00 0.00 54.58 54.83 1bxr n ASN 457 Cb 1.11 -2.24 -0.03 0.00 -1.02 0.00 0.00 39.78 37.60 1bxr n ASN 457 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1bxr s ILE 458 N -2.07 4.90 0.22 2.41 1.01 -1.26 -4.56 121.20 121.84 1bxr s ILE 458 Ca 0.00 1.90 -0.31 0.00 0.00 0.00 0.00 60.65 62.24 1bxr s ILE 458 Cb 0.00 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 38.07 1bxr s ILE 458 CO 0.00 0.15 1.09 -0.67 0.00 0.00 0.00 174.94 175.51 1bxr n ASP 459 N 4.13 1.26 0.30 3.58 -0.08 -1.26 -4.75 116.55 119.72 1bxr n ASP 459 Ca 0.05 1.15 0.16 0.00 -1.51 0.00 0.00 54.79 54.64 1bxr n ASP 459 Cb 0.51 -1.24 0.93 0.00 2.34 0.00 0.00 41.12 43.66 1bxr n ASP 459 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1bxr h ARG 460 N 2.81 0.00 -0.80 -0.67 3.08 -1.95 -0.74 114.38 116.11 1bxr h ARG 460 Ca -0.41 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.80 1bxr h ARG 460 Cb 1.34 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 1bxr h ARG 460 CO 0.66 0.02 0.53 2.35 -1.07 0.00 0.00 179.97 182.47 1bxr h TRP 461 N 0.00 0.52 0.16 3.04 7.01 -2.01 -1.60 115.95 123.07 1bxr h TRP 461 Ca -0.00 0.02 -0.36 0.00 2.11 0.00 0.00 58.89 60.66 1bxr h TRP 461 Cb 0.06 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1bxr h TRP 461 CO 0.00 0.18 -1.84 0.74 -2.79 0.00 0.00 178.44 174.73 1bxr h PHE 462 N 0.44 0.63 -0.31 2.65 0.04 -1.48 -3.37 116.94 115.54 1bxr h PHE 462 Ca 0.40 -0.46 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1bxr h PHE 462 Cb 0.92 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1bxr h PHE 462 CO -0.00 1.72 0.19 -0.07 -0.60 0.00 0.00 178.31 179.55 1bxr h LEU 463 N 0.09 0.37 -2.22 1.54 3.38 -1.30 -1.78 115.31 115.39 1bxr h LEU 463 Ca -0.38 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1bxr h LEU 463 Cb 2.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1bxr h LEU 463 CO 0.14 0.30 0.24 -0.37 0.09 0.00 0.00 178.44 178.85 1bxr h VAL 464 N 0.40 0.36 0.07 1.22 -1.51 -1.50 0.13 116.25 115.43 1bxr h VAL 464 Ca 0.11 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.34 1bxr h VAL 464 Cb -0.00 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1bxr h VAL 464 CO -0.02 0.00 -1.11 1.56 -1.23 0.00 0.00 177.57 176.77 1bxr h GLN 465 N 0.00 0.22 -0.17 5.19 4.20 -1.49 -2.54 115.11 120.53 1bxr h GLN 465 Ca 0.09 -0.34 -0.21 0.00 0.06 0.00 0.00 58.65 58.25 1bxr h GLN 465 Cb 0.57 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.48 1bxr h GLN 465 CO -0.00 1.12 -0.71 0.82 -0.67 0.00 0.00 178.83 179.39 1bxr h ILE 466 N 0.08 1.29 -0.82 2.54 2.04 -0.70 -2.71 117.51 119.23 1bxr h ILE 466 Ca -0.09 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 63.87 1bxr h ILE 466 Cb 1.82 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 39.81 1bxr h ILE 466 CO 0.17 0.61 0.54 -0.08 0.00 0.00 0.00 178.15 179.39 1bxr h GLU 467 N 0.51 1.04 -0.04 2.37 4.81 -0.84 0.12 114.58 122.56 1bxr h GLU 467 Ca -0.04 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1bxr h GLU 467 Cb 1.34 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1bxr h GLU 467 CO 0.15 0.69 -0.37 1.49 -0.73 0.00 0.00 179.01 180.24 1bxr h GLU 468 N 1.07 0.08 -0.12 1.92 4.81 -1.39 -1.73 114.58 119.23 1bxr h GLU 468 Ca 0.31 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1bxr h GLU 468 Cb -0.08 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1bxr h GLU 468 CO -0.07 0.44 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.16 1bxr h LEU 469 N 0.07 0.28 -0.00 1.64 3.38 -0.67 -2.43 115.31 117.58 1bxr h LEU 469 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bxr h LEU 469 Cb 0.69 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1bxr h LEU 469 CO 0.05 0.67 0.00 0.58 0.09 0.00 0.00 178.44 179.83 1bxr h VAL 470 N 0.22 1.22 -0.98 1.22 2.07 -0.53 0.42 116.25 119.89 1bxr h VAL 470 Ca 0.02 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.98 1bxr h VAL 470 Cb 0.84 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1bxr h VAL 470 CO 0.07 0.17 0.62 0.03 0.02 0.00 0.00 177.57 178.47 1bxr h ARG 471 N -0.27 1.05 -0.51 1.57 2.47 -1.33 0.35 114.38 117.70 1bxr h ARG 471 Ca 0.00 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 1bxr h ARG 471 Cb 0.27 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1bxr h ARG 471 CO 0.00 0.69 0.16 -0.07 0.56 0.00 0.00 179.97 181.31 1bxr h LEU 472 N 1.08 0.75 -1.28 3.04 3.38 -1.27 -1.79 115.31 119.22 1bxr h LEU 472 Ca 0.44 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.31 1bxr h LEU 472 Cb 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1bxr h LEU 472 CO -0.20 0.76 0.55 -0.33 0.09 0.00 0.00 178.44 179.30 1bxr h GLU 473 N 0.70 0.77 -0.39 1.13 5.08 0.16 -0.77 114.58 121.26 1bxr h GLU 473 Ca 0.17 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1bxr h GLU 473 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1bxr h GLU 473 CO -0.01 0.51 -0.05 0.93 -1.00 0.00 0.00 179.01 179.40 1bxr h GLU 474 N 0.80 0.65 -0.08 2.33 5.08 0.25 -1.48 114.58 122.13 1bxr h GLU 474 Ca 0.39 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 1bxr h GLU 474 Cb 0.44 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1bxr h GLU 474 CO -0.16 0.70 -0.77 -0.22 -1.00 0.00 0.00 179.01 177.56 1bxr h LYS 475 N 0.60 0.46 -0.80 2.33 3.64 -0.37 -2.47 116.57 119.95 1bxr h LYS 475 Ca 0.12 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1bxr h LYS 475 Cb 0.45 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1bxr h LYS 475 CO 0.02 1.03 0.44 0.28 -2.27 0.00 0.00 179.45 178.95 1bxr h VAL 476 N 0.30 1.24 -0.62 2.00 2.07 -0.91 -0.75 116.25 119.58 1bxr h VAL 476 Ca -0.04 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1bxr h VAL 476 Cb 1.36 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1bxr h VAL 476 CO 0.14 0.26 0.41 0.00 0.02 0.00 0.00 177.57 178.40 1bxr h ALA 477 N 1.23 1.57 0.13 1.67 0.00 -1.15 -1.51 119.26 121.20 1bxr h ALA 477 Ca 0.28 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 477 Cb 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 17.60 1bxr h ALA 477 CO -0.05 0.40 -1.05 1.49 0.00 0.00 0.00 179.25 180.04 1bxr h GLU 478 N 0.83 0.48 0.00 0.00 4.81 -0.87 -3.34 114.58 116.49 1bxr h GLU 478 Ca 0.23 -0.69 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 1bxr h GLU 478 Cb -0.08 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1bxr h GLU 478 CO -0.05 1.31 -0.61 -0.39 -0.73 0.00 0.00 179.01 178.53 1bxr h VAL 479 N -0.01 1.13 -1.36 0.32 -1.51 -1.08 -3.50 116.25 110.24 1bxr h VAL 479 Ca -0.17 -2.37 0.13 0.00 -1.23 0.00 0.00 66.70 63.07 1bxr h VAL 479 Cb 1.78 2.40 -0.03 0.00 -2.13 0.00 0.00 31.29 33.31 1bxr h VAL 479 CO 0.20 0.60 -0.18 0.61 -1.23 0.00 0.00 177.57 177.57 1bxr n GLY 480 N 0.96 -1.94 0.30 5.19 0.00 -0.58 -2.76 105.19 106.37 1bxr n GLY 480 Ca 0.01 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1bxr n GLY 480 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bxr h ILE 481 N -0.45 0.59 -0.20 -0.61 2.10 -1.85 -0.85 117.51 116.24 1bxr h ILE 481 Ca 0.01 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.87 1bxr h ILE 481 Cb 0.45 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1bxr h ILE 481 CO 0.00 0.00 -0.23 0.74 -1.08 0.00 0.00 178.15 177.59 1bxr h THR 482 N 0.00 1.24 -0.15 2.19 2.02 -1.96 -2.23 112.91 114.02 1bxr h THR 482 Ca 0.03 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1bxr h THR 482 Cb 0.16 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1bxr h THR 482 CO -0.00 0.35 0.00 0.61 0.37 0.00 0.00 175.52 176.85 1bxr n GLY 483 N -0.53 0.08 2.58 2.16 0.00 -0.32 -4.58 105.19 104.57 1bxr n GLY 483 Ca -0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1bxr n GLY 483 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxr n LEU 484 N 0.14 7.70 -4.80 0.99 4.77 -0.84 -4.91 117.00 120.05 1bxr n LEU 484 Ca 0.15 -4.75 -0.31 0.00 -0.03 0.00 0.00 56.01 51.07 1bxr n LEU 484 Cb 0.28 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.01 1bxr n LEU 484 CO 0.12 1.85 0.71 0.54 -1.33 0.00 0.00 177.39 179.27 1bxr s ASN 485 N 0.74 5.03 0.43 -1.43 2.20 -1.26 -4.73 114.94 115.92 1bxr s ASN 485 Ca 0.51 1.69 0.23 0.00 -0.94 0.00 0.00 52.86 54.35 1bxr s ASN 485 Cb 0.16 -2.50 1.21 0.00 -2.00 0.00 0.00 41.25 38.12 1bxr s ASN 485 CO -0.06 -1.68 1.77 0.00 -2.94 0.00 0.00 177.10 174.19 1bxr h ALA 486 N -0.88 2.43 -0.18 3.54 0.00 -1.98 -1.27 119.26 120.93 1bxr h ALA 486 Ca -0.44 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1bxr h ALA 486 Cb 1.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bxr h ALA 486 CO 0.55 -0.84 -0.30 -0.44 0.00 0.00 0.00 179.25 178.21 1bxr h ASP 487 N 0.29 0.58 -0.39 0.00 3.32 -1.98 -2.42 116.42 115.82 1bxr h ASP 487 Ca 0.60 -0.53 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1bxr h ASP 487 Cb 1.72 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 1bxr h ASP 487 CO -0.25 1.00 -0.32 0.15 -1.72 0.00 0.00 179.24 178.10 1bxr h PHE 488 N 0.17 1.07 -0.58 4.55 3.57 -1.83 -0.88 116.94 123.01 1bxr h PHE 488 Ca 0.01 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 61.15 1bxr h PHE 488 Cb 0.89 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1bxr h PHE 488 CO 0.09 1.12 0.14 1.25 -2.23 0.00 0.00 178.31 178.68 1bxr h LEU 489 N 0.72 0.83 -0.47 0.59 5.85 -1.29 -1.21 115.31 120.33 1bxr h LEU 489 Ca 0.07 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1bxr h LEU 489 Cb 0.91 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1bxr h LEU 489 CO 0.08 0.82 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.84 1bxr h ARG 490 N 0.86 0.88 -0.75 1.25 2.43 -1.26 -0.36 114.38 117.43 1bxr h ARG 490 Ca 0.19 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1bxr h ARG 490 Cb 0.31 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1bxr h ARG 490 CO -0.00 0.95 0.38 0.37 -1.51 0.00 0.00 179.97 180.17 1bxr h GLN 491 N 0.73 1.05 -0.21 0.20 4.15 -0.80 0.23 115.11 120.47 1bxr h GLN 491 Ca 0.13 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1bxr h GLN 491 Cb 0.60 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1bxr h GLN 491 CO 0.04 0.79 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.58 1bxr h LEU 492 N 1.06 0.43 -1.10 -2.39 3.38 -0.94 -2.60 115.31 113.14 1bxr h LEU 492 Ca 0.26 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1bxr h LEU 492 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1bxr h LEU 492 CO -0.04 0.73 0.27 0.11 0.09 0.00 0.00 178.44 179.61 1bxr h LYS 493 N 0.13 0.91 0.00 1.13 1.79 -0.85 -0.78 116.57 118.89 1bxr h LYS 493 Ca 0.05 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1bxr h LYS 493 Cb 0.56 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1bxr h LYS 493 CO 0.03 0.73 -0.01 0.00 -1.08 0.00 0.00 179.45 179.11 1bxr h ARG 494 N 0.90 0.00 -0.19 3.15 3.08 -0.37 -2.22 114.38 118.74 1bxr h ARG 494 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1bxr h ARG 494 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1bxr h ARG 494 CO -0.02 0.01 0.00 1.63 -1.07 0.00 0.00 179.97 180.52 1bxr n LYS 495 N -3.12 1.80 -0.36 0.04 4.76 -0.39 -4.57 118.16 116.32 1bxr n LYS 495 Ca -0.00 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.23 1bxr n LYS 495 Cb 0.27 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1bxr n LYS 495 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bxr n GLY 496 N 1.16 0.69 3.74 0.72 0.00 -0.83 -3.35 105.19 107.32 1bxr n GLY 496 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1bxr n GLY 496 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxr n PHE 497 N -2.04 2.78 -2.64 1.61 3.72 -0.65 -4.54 117.46 115.71 1bxr n PHE 497 Ca 0.00 0.28 -0.30 0.00 -0.05 0.00 0.00 57.45 57.39 1bxr n PHE 497 Cb 0.00 -2.58 -0.02 0.00 -0.94 0.00 0.00 39.48 35.94 1bxr n PHE 497 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxr s ALA 498 N -0.06 3.31 0.17 4.37 0.00 -1.26 -4.61 121.76 123.68 1bxr s ALA 498 Ca 0.64 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1bxr s ALA 498 Cb -0.51 -2.75 0.11 0.00 0.00 0.00 0.00 23.12 19.97 1bxr s ALA 498 CO 0.49 -0.21 1.78 -0.44 0.00 0.00 0.00 175.76 177.38 1bxr h ASP 499 N 0.74 0.31 -0.94 0.00 3.32 -1.92 -2.02 116.42 115.90 1bxr h ASP 499 Ca -0.47 0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.68 1bxr h ASP 499 Cb 1.19 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1bxr h ASP 499 CO 0.63 0.22 0.60 0.00 -1.72 0.00 0.00 179.24 178.97 1bxr h ALA 500 N 1.25 1.31 -0.36 3.45 0.00 -1.91 0.42 119.26 123.42 1bxr h ALA 500 Ca 0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1bxr h ALA 500 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1bxr h ALA 500 CO -0.15 0.36 -0.31 -0.09 0.00 0.00 0.00 179.25 179.06 1bxr h ARG 501 N 1.08 0.85 -0.54 0.00 9.65 -1.66 -0.91 114.38 122.85 1bxr h ARG 501 Ca 0.41 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1bxr h ARG 501 Cb 0.19 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1bxr h ARG 501 CO -0.18 1.07 0.25 -0.07 2.80 0.00 0.00 179.97 183.85 1bxr h LEU 502 N 0.65 0.71 -0.98 3.80 3.38 -0.63 -1.61 115.31 120.64 1bxr h LEU 502 Ca 0.06 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.02 1bxr h LEU 502 Cb 0.89 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1bxr h LEU 502 CO 0.08 0.65 0.61 0.00 0.09 0.00 0.00 178.44 179.87 1bxr h ALA 503 N 1.09 1.47 -0.33 1.53 0.00 -0.03 0.30 119.26 123.29 1bxr h ALA 503 Ca 0.19 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1bxr h ALA 503 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bxr h ALA 503 CO -0.02 0.21 -0.06 0.87 0.00 0.00 0.00 179.25 180.24 1bxr h LYS 504 N 0.96 0.63 -0.23 0.00 1.57 -0.40 0.57 116.57 119.66 1bxr h LYS 504 Ca 0.48 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1bxr h LYS 504 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1bxr h LYS 504 CO -0.27 0.79 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.03 1bxr h LEU 505 N 0.41 0.47 -1.02 2.94 3.38 -0.35 -2.80 115.31 118.34 1bxr h LEU 505 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1bxr h LEU 505 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bxr h LEU 505 CO 0.03 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1bxr n ALA 506 N -2.49 2.54 -3.65 1.53 0.00 0.94 -4.30 120.51 115.08 1bxr n ALA 506 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 1bxr n ALA 506 Cb 0.44 -1.12 0.06 0.00 0.00 0.00 0.00 19.45 18.83 1bxr n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 507 N 1.12 -0.46 3.33 0.00 0.00 -0.53 -4.32 105.19 104.34 1bxr n GLY 507 Ca 0.17 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 1bxr n GLY 507 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bxr s VAL 508 N -3.38 0.31 0.52 1.61 -7.23 0.08 -5.04 120.40 107.27 1bxr s VAL 508 Ca 0.38 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 1bxr s VAL 508 Cb -0.18 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1bxr s VAL 508 CO 0.77 0.00 0.99 -0.13 -0.31 0.00 0.00 175.10 176.42 1bxr s ARG 509 N -3.83 3.87 0.49 4.82 0.52 -1.26 -4.28 118.95 119.29 1bxr s ARG 509 Ca 0.36 1.00 0.14 0.00 -0.52 0.00 0.00 55.73 56.72 1bxr s ARG 509 Cb 0.05 -2.12 1.16 0.00 0.52 0.00 0.00 34.95 34.56 1bxr s ARG 509 CO 0.17 -0.34 2.11 1.49 0.02 0.00 0.00 175.30 178.76 1bxr h GLU 510 N 0.91 0.07 0.00 3.54 4.81 -1.90 -2.10 114.58 119.91 1bxr h GLU 510 Ca -0.47 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1bxr h GLU 510 Cb 1.19 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1bxr h GLU 510 CO 0.61 0.08 -0.01 0.00 -0.73 0.00 0.00 179.01 178.96 1bxr h ALA 511 N 1.93 1.04 0.00 2.92 0.00 -1.94 -1.99 119.26 121.23 1bxr h ALA 511 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1bxr h ALA 511 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bxr h ALA 511 CO 0.00 0.02 -0.50 0.93 0.00 0.00 0.00 179.25 179.70 1bxr h GLU 512 N 0.00 0.00 0.19 0.00 4.39 -1.77 -2.54 114.58 114.86 1bxr h GLU 512 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1bxr h GLU 512 Cb 0.22 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1bxr h GLU 512 CO 0.00 0.22 -1.09 0.82 -1.16 0.00 0.00 179.01 177.80 1bxr h ILE 513 N 0.00 1.42 -0.81 3.13 1.08 -1.47 -2.87 117.51 118.00 1bxr h ILE 513 Ca -0.02 -2.60 0.03 0.00 -0.39 0.00 0.00 64.86 61.88 1bxr h ILE 513 Cb 1.21 3.14 -0.05 0.00 -3.07 0.00 0.00 36.82 38.05 1bxr h ILE 513 CO 0.03 0.76 0.51 -0.09 -0.69 0.00 0.00 178.15 178.67 1bxr h ARG 514 N -0.15 0.97 -0.65 2.37 2.43 -1.52 -1.75 114.38 116.08 1bxr h ARG 514 Ca -0.19 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1bxr h ARG 514 Cb 1.86 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 1bxr h ARG 514 CO 0.21 0.64 0.23 0.87 -1.51 0.00 0.00 179.97 180.41 1bxr h LYS 515 N 1.00 0.99 -0.84 0.20 1.57 -1.54 0.48 116.57 118.43 1bxr h LYS 515 Ca 0.33 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1bxr h LYS 515 Cb 0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1bxr h LYS 515 CO -0.12 0.84 0.50 1.25 -0.57 0.00 0.00 179.45 181.36 1bxr h LEU 516 N 0.92 1.01 -0.53 2.94 5.85 -1.16 0.66 115.31 125.00 1bxr h LEU 516 Ca 0.21 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 1bxr h LEU 516 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1bxr h LEU 516 CO -0.01 0.78 -0.66 0.03 -0.34 0.00 0.00 178.44 178.24 1bxr h ARG 517 N 1.15 0.33 -0.58 1.25 3.08 -0.84 -1.94 114.38 116.83 1bxr h ARG 517 Ca 0.30 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1bxr h ARG 517 Cb -0.04 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1bxr h ARG 517 CO -0.06 0.87 0.16 -0.44 -1.07 0.00 0.00 179.97 179.43 1bxr h ASP 518 N 0.23 0.82 -0.35 7.04 5.19 -0.35 0.72 116.42 129.73 1bxr h ASP 518 Ca -0.01 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1bxr h ASP 518 Cb 1.20 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 1bxr h ASP 518 CO 0.11 0.79 0.20 -0.61 -3.12 0.00 0.00 179.24 176.61 1bxr h GLN 519 N 0.85 0.48 -0.00 3.56 4.15 -0.54 -2.77 115.11 120.84 1bxr h GLN 519 Ca 0.19 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1bxr h GLN 519 Cb 0.28 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1bxr h GLN 519 CO -0.00 0.38 -0.06 0.66 -1.93 0.00 0.00 178.83 177.87 1bxr n TYR 520 N -4.79 0.00 -3.41 3.99 4.01 -0.76 -4.92 117.16 111.27 1bxr n TYR 520 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1bxr n TYR 520 Cb 0.06 -0.22 0.08 0.00 -0.31 0.00 0.00 39.34 38.96 1bxr n TYR 520 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1bxr n ASP 521 N -1.10 -3.05 -4.11 7.72 2.03 0.26 -4.95 116.55 113.35 1bxr n ASP 521 Ca 0.15 -0.66 -0.37 0.00 0.52 0.00 0.00 54.79 54.43 1bxr n ASP 521 Cb 0.25 -5.04 -0.08 0.00 -0.72 0.00 0.00 41.12 35.53 1bxr n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bxr s LEU 522 N -6.17 5.40 0.06 -2.67 2.96 0.23 -5.02 118.68 113.47 1bxr s LEU 522 Ca 0.11 -3.05 0.05 0.00 -0.22 0.00 0.00 54.13 51.02 1bxr s LEU 522 Cb -0.02 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1bxr s LEU 522 CO 0.74 -0.34 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.28 1bxr s HIS 523 N -0.35 1.30 0.76 5.38 3.76 -1.26 -4.62 115.29 120.25 1bxr s HIS 523 Ca 0.19 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1bxr s HIS 523 Cb -0.17 -0.74 0.05 0.00 1.11 0.00 0.00 32.58 32.83 1bxr s HIS 523 CO -0.06 0.07 1.08 -1.25 -0.85 0.00 0.00 174.74 173.73 1bxr s PRO 524 N -1.54 2.40 0.30 8.40 0.04 -1.26 -4.84 135.00 138.51 1bxr s PRO 524 Ca 0.00 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.17 1bxr s PRO 524 Cb -0.09 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1bxr s PRO 524 CO 0.02 -1.50 0.04 0.14 0.04 0.00 0.00 177.00 175.74 1bxr s VAL 525 N -2.97 3.13 -0.11 -0.36 -7.23 0.16 -4.91 120.40 108.11 1bxr s VAL 525 Ca 0.60 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1bxr s VAL 525 Cb -0.16 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1bxr s VAL 525 CO 0.56 -0.28 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.63 1bxr s TYR 526 N -2.40 2.80 0.50 2.82 2.02 -1.26 -1.04 117.35 120.79 1bxr s TYR 526 Ca 0.34 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1bxr s TYR 526 Cb -0.04 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1bxr s TYR 526 CO 0.21 -0.12 0.40 0.15 -1.57 0.00 0.00 175.55 174.62 1bxr s LYS 527 N 0.11 2.33 0.16 -0.62 -0.14 -0.04 -1.12 119.74 120.43 1bxr s LYS 527 Ca -0.06 -1.84 0.10 0.00 -1.36 0.00 0.00 55.97 52.81 1bxr s LYS 527 Cb -0.15 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.76 1bxr s LYS 527 CO 0.05 -0.46 -0.21 1.03 -0.76 0.00 0.00 175.35 175.00 1bxr s ARG 528 N -4.22 1.34 -0.02 1.68 0.52 -1.26 -2.44 118.95 114.54 1bxr s ARG 528 Ca 0.41 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 1bxr s ARG 528 Cb -0.02 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.86 1bxr s ARG 528 CO 0.24 0.33 0.57 0.08 0.02 0.00 0.00 175.30 176.54 1bxr s VAL 529 N -1.74 4.95 0.00 3.52 1.01 -0.76 -4.95 120.40 122.43 1bxr s VAL 529 Ca 0.16 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1bxr s VAL 529 Cb -0.07 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1bxr s VAL 529 CO 0.07 0.41 0.14 -0.90 0.00 0.00 0.00 175.10 174.82 1bxr n ASP 530 N 2.81 0.00 0.00 3.32 5.68 -1.26 -4.76 116.55 122.34 1bxr n ASP 530 Ca -0.07 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1bxr n ASP 530 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1bxr n ASP 530 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bxr n THR 531 N 0.00 0.00 -1.38 2.12 -2.24 -1.00 -4.55 114.28 107.22 1bxr n THR 531 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1bxr n THR 531 Cb 0.37 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1bxr n THR 531 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bxr n ALA 533 N -0.56 -0.63 -1.08 0.00 0.00 -0.43 -1.58 120.51 116.24 1bxr n ALA 533 Ca 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 1bxr n ALA 533 Cb 0.62 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 1bxr n ALA 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr n ALA 534 N -1.80 -0.04 0.31 0.00 0.00 -1.26 -4.89 120.51 112.83 1bxr n ALA 534 Ca -0.22 0.05 0.19 0.00 0.00 0.00 0.00 53.44 53.46 1bxr n ALA 534 Cb 0.67 -0.74 0.93 0.00 0.00 0.00 0.00 19.45 20.31 1bxr n ALA 534 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bxr h GLU 535 N 0.40 0.00 -4.21 0.00 4.81 -1.70 -3.42 114.58 110.46 1bxr h GLU 535 Ca -0.06 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1bxr h GLU 535 Cb 0.41 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.61 1bxr h GLU 535 CO 0.08 0.00 -0.70 -0.06 -0.73 0.00 0.00 179.01 177.61 1bxr s PHE 536 N -3.87 0.47 0.65 0.92 0.08 -1.26 -5.15 117.98 109.82 1bxr s PHE 536 Ca -0.02 -0.77 -0.11 0.00 0.12 0.00 0.00 56.93 56.15 1bxr s PHE 536 Cb 0.11 -0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.22 1bxr s PHE 536 CO 0.46 -0.25 1.04 0.00 -0.10 0.00 0.00 175.22 176.38 1bxr s ALA 537 N -2.60 2.86 0.05 5.36 0.00 -1.26 -4.94 121.76 121.23 1bxr s ALA 537 Ca -0.04 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1bxr s ALA 537 Cb -0.02 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1bxr s ALA 537 CO -0.05 -0.95 -0.16 -0.08 0.00 0.00 0.00 175.76 174.53 1bxr s THR 538 N -3.04 1.26 -1.34 0.00 -1.32 -1.26 -4.46 115.64 105.48 1bxr s THR 538 Ca 0.57 -1.15 0.12 0.00 -1.21 0.00 0.00 61.69 60.02 1bxr s THR 538 Cb -0.13 -1.15 0.16 0.00 -1.51 0.00 0.00 72.50 69.88 1bxr s THR 538 CO 0.52 -0.02 1.00 0.47 -2.21 0.00 0.00 174.62 174.38 1bxr n ASP 539 N 1.68 2.29 -4.86 8.08 8.00 -1.22 -4.94 116.55 125.58 1bxr n ASP 539 Ca -0.19 -1.65 -0.36 0.00 0.71 0.00 0.00 54.79 53.30 1bxr n ASP 539 Cb 0.54 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 1bxr n ASP 539 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bxr s THR 540 N -1.00 5.11 -0.90 -3.53 2.01 -1.26 -5.04 115.64 111.04 1bxr s THR 540 Ca 0.17 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 1bxr s THR 540 Cb 0.11 -3.65 0.25 0.00 0.01 0.00 0.00 72.50 69.22 1bxr s THR 540 CO 0.15 0.44 0.98 0.00 -0.69 0.00 0.00 174.62 175.51 1bxr n ALA 541 N 1.37 4.27 -3.65 7.40 0.00 -1.26 -4.94 120.51 123.69 1bxr n ALA 541 Ca -0.12 -4.70 -0.36 0.00 0.00 0.00 0.00 53.44 48.26 1bxr n ALA 541 Cb 0.53 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 1bxr n ALA 541 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1bxr s TYR 542 N -2.04 3.45 0.29 0.00 6.14 -1.26 -0.86 117.35 123.07 1bxr s TYR 542 Ca 0.32 -2.11 0.11 0.00 0.64 0.00 0.00 57.07 56.03 1bxr s TYR 542 Cb 0.01 -2.80 -0.05 0.00 0.42 0.00 0.00 41.96 39.54 1bxr s TYR 542 CO -0.03 -0.89 -0.17 -1.64 0.64 0.00 0.00 175.55 173.46 1bxr s MET 543 N 1.22 1.68 -0.00 4.97 -1.94 0.29 -1.82 119.30 123.68 1bxr s MET 543 Ca 0.03 -1.79 -0.06 0.00 -1.71 0.00 0.00 55.69 52.16 1bxr s MET 543 Cb -0.22 -1.69 -0.00 0.00 2.01 0.00 0.00 34.83 34.94 1bxr s MET 543 CO -0.02 0.27 0.11 1.52 -0.01 0.00 0.00 175.02 176.88 1bxr s TYR 544 N -2.58 0.04 0.31 -0.03 1.13 -1.02 0.08 117.35 115.28 1bxr s TYR 544 Ca 0.30 -0.11 -0.11 0.00 -1.41 0.00 0.00 57.07 55.74 1bxr s TYR 544 Cb -0.03 -0.05 -0.07 0.00 -1.10 0.00 0.00 41.96 40.70 1bxr s TYR 544 CO 0.15 -0.23 0.67 -1.54 -2.51 0.00 0.00 175.55 172.09 1bxr s SER 545 N -1.12 6.64 0.07 -0.18 1.04 -1.26 -0.86 113.70 118.04 1bxr s SER 545 Ca -0.12 1.09 -0.27 0.00 0.48 0.00 0.00 55.95 57.13 1bxr s SER 545 Cb -0.07 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.84 1bxr s SER 545 CO 0.01 -0.21 0.86 0.28 0.98 0.00 0.00 173.24 175.15 1bxr s THR 546 N -2.04 0.00 -1.00 2.02 -1.32 -0.21 -4.79 115.64 108.31 1bxr s THR 546 Ca 0.51 -0.22 -0.10 0.00 -1.21 0.00 0.00 61.69 60.66 1bxr s THR 546 Cb -0.11 -1.31 0.26 0.00 -1.51 0.00 0.00 72.50 69.83 1bxr s THR 546 CO 0.23 0.00 0.98 -0.31 -2.21 0.00 0.00 174.62 173.31 1bxr s TYR 547 N -3.29 4.08 0.00 9.09 1.51 -1.26 0.36 117.35 127.84 1bxr s TYR 547 Ca 0.07 -2.47 0.00 0.00 -1.01 0.00 0.00 57.07 53.66 1bxr s TYR 547 Cb -0.01 -3.81 0.00 0.00 -0.11 0.00 0.00 41.96 38.03 1bxr s TYR 547 CO -0.06 -0.96 0.00 -1.91 -1.11 0.00 0.00 175.55 171.52 1bxr n GLU 548 N 3.13 2.49 -0.03 -0.62 2.13 -1.26 -4.88 120.64 121.60 1bxr n GLU 548 Ca 0.20 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.00 1bxr n GLU 548 Cb 0.42 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 1bxr n GLU 548 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1bxr h GLU 549 N 0.00 0.00 -6.69 5.31 4.39 -1.99 -3.44 114.58 112.17 1bxr h GLU 549 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1bxr h GLU 549 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1bxr h GLU 549 CO 0.00 0.00 0.29 -2.00 -1.16 0.00 0.00 179.01 176.14 1bxr s GLU 550 N -1.57 4.71 -0.06 2.33 2.12 -1.26 -4.97 118.70 120.00 1bxr s GLU 550 Ca -0.07 1.34 0.00 0.00 0.36 0.00 0.00 54.97 56.61 1bxr s GLU 550 Cb 0.01 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1bxr s GLU 550 CO 0.10 0.50 -0.04 0.00 -0.54 0.00 0.00 175.26 175.28 1bxr n GLU 552 N 2.05 2.10 0.05 0.00 1.02 -0.28 -4.79 120.64 120.81 1bxr n GLU 552 Ca -0.18 -1.61 -0.11 0.00 -0.02 0.00 0.00 57.16 55.24 1bxr n GLU 552 Cb 0.53 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.87 1bxr n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr h ALA 553 N 0.00 -0.14 -6.78 0.62 0.00 -1.93 -3.47 119.26 107.55 1bxr h ALA 553 Ca 0.00 0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.36 1bxr h ALA 553 Cb 0.72 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bxr h ALA 553 CO 0.00 -0.62 -0.99 0.09 0.00 0.00 0.00 179.25 177.73 1bxr n ASN 554 N -5.26 -3.79 -4.76 0.00 3.02 -1.26 -4.88 115.26 98.32 1bxr n ASN 554 Ca -0.05 -1.23 -0.39 0.00 -0.03 0.00 0.00 54.58 52.87 1bxr n ASN 554 Cb 0.18 -2.09 0.02 0.00 -0.61 0.00 0.00 39.78 37.28 1bxr n ASN 554 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bxr s PRO 555 N -7.09 3.65 0.38 3.52 0.04 -1.26 -5.00 135.00 129.24 1bxr s PRO 555 Ca 0.43 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.54 1bxr s PRO 555 Cb -0.22 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1bxr s PRO 555 CO 0.95 -0.81 1.11 -1.12 0.04 0.00 0.00 177.00 177.17 1bxr s SER 556 N -0.64 6.74 -0.03 6.66 0.01 -1.26 -4.93 113.70 120.25 1bxr s SER 556 Ca 0.62 2.22 0.14 0.00 1.31 0.00 0.00 55.95 60.23 1bxr s SER 556 Cb -0.42 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.00 1bxr s SER 556 CO 0.53 -0.51 0.27 0.35 0.41 0.00 0.00 173.24 174.29 1bxr n THR 557 N 0.22 0.13 -0.03 1.44 -2.24 -1.26 -4.70 114.28 107.83 1bxr n THR 557 Ca 0.04 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1bxr n THR 557 Cb 0.47 0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 1bxr n THR 557 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bxr h ASP 558 N 0.00 -1.19 -5.45 3.42 3.58 -2.03 -3.47 116.42 111.29 1bxr h ASP 558 Ca -0.05 0.15 -0.42 0.00 0.42 0.00 0.00 57.03 57.13 1bxr h ASP 558 Cb 0.80 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1bxr h ASP 558 CO 0.00 -0.31 -0.17 0.54 -2.88 0.00 0.00 179.24 176.43 1bxr n ARG 559 N -4.48 0.83 -3.31 0.28 1.74 -1.26 -5.09 116.66 105.37 1bxr n ARG 559 Ca -0.04 -2.54 -0.42 0.00 -0.77 0.00 0.00 57.85 54.09 1bxr n ARG 559 Cb 0.25 0.16 -0.08 0.00 -1.02 0.00 0.00 32.46 31.76 1bxr n ARG 559 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bxr s GLU 560 N -3.78 3.35 -0.08 5.56 2.02 -1.26 -4.96 118.70 119.55 1bxr s GLU 560 Ca 0.29 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 1bxr s GLU 560 Cb -0.02 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 1bxr s GLU 560 CO 0.19 -0.74 0.14 0.15 0.02 0.00 0.00 175.26 175.02 1bxr s LYS 561 N 2.22 3.40 -0.18 1.61 1.02 -1.26 -0.53 119.74 126.02 1bxr s LYS 561 Ca 0.14 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 55.93 1bxr s LYS 561 Cb -0.16 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1bxr s LYS 561 CO 0.14 0.74 -0.20 0.42 -0.92 0.00 0.00 175.35 175.53 1bxr s ILE 562 N -1.12 2.08 -0.09 2.17 -1.09 0.53 -0.54 121.20 123.14 1bxr s ILE 562 Ca 0.19 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1bxr s ILE 562 Cb -0.12 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 1bxr s ILE 562 CO 0.09 0.54 0.26 -0.32 -1.23 0.00 0.00 174.94 174.28 1bxr s MET 563 N 1.26 3.81 -0.12 2.79 -2.45 -0.55 -0.66 119.30 123.39 1bxr s MET 563 Ca 0.04 0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.59 1bxr s MET 563 Cb -0.13 -3.26 0.01 0.00 1.25 0.00 0.00 34.83 32.70 1bxr s MET 563 CO -0.12 0.61 -0.17 0.08 1.05 0.00 0.00 175.02 176.47 1bxr s VAL 564 N -0.65 1.63 -0.16 10.11 1.01 0.17 -0.81 120.40 131.70 1bxr s VAL 564 Ca 0.18 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1bxr s VAL 564 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1bxr s VAL 564 CO 0.07 0.47 0.45 -0.76 0.00 0.00 0.00 175.10 175.32 1bxr s LEU 565 N 0.95 4.21 0.00 3.92 1.43 -0.99 -1.83 118.68 126.37 1bxr s LEU 565 Ca -0.07 0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1bxr s LEU 565 Cb -0.15 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.47 1bxr s LEU 565 CO -0.02 -0.05 0.16 0.61 0.23 0.00 0.00 176.35 177.28 1bxr n GLY 566 N 3.59 -0.83 0.34 -3.19 0.00 0.40 -3.95 105.19 101.56 1bxr n GLY 566 Ca -0.07 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.34 1bxr n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 567 N 3.91 -0.34 7.00 -0.02 0.00 -1.25 -4.63 105.19 109.86 1bxr n GLY 567 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1bxr n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 568 N 1.41 -0.94 3.74 -0.02 0.00 -1.26 -4.82 105.19 103.29 1bxr n GLY 568 Ca 0.09 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1bxr n GLY 568 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bxr n PRO 569 N 0.00 1.47 -2.09 1.61 -0.04 -1.26 -4.29 135.00 130.41 1bxr n PRO 569 Ca 0.00 0.55 -0.31 0.00 -0.04 0.00 0.00 63.50 63.70 1bxr n PRO 569 Cb 0.00 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 30.89 1bxr n PRO 569 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1bxr s ASN 570 N -1.09 6.37 0.32 3.54 0.02 -1.26 -4.90 114.94 117.94 1bxr s ASN 570 Ca 0.76 1.45 -0.18 0.00 -1.02 0.00 0.00 52.86 53.86 1bxr s ASN 570 Cb -0.40 -2.47 0.05 0.00 0.02 0.00 0.00 41.25 38.44 1bxr s ASN 570 CO 0.46 -0.76 0.80 0.00 0.02 0.00 0.00 177.10 177.62 1bxr s ARG 571 N -4.78 1.95 0.01 -0.60 1.04 0.53 -3.85 118.95 113.26 1bxr s ARG 571 Ca 0.56 -1.20 -0.30 0.00 -1.04 0.00 0.00 55.73 53.75 1bxr s ARG 571 Cb -0.11 0.59 -0.07 0.00 -2.04 0.00 0.00 34.95 33.32 1bxr s ARG 571 CO 0.46 -0.91 1.77 0.42 -0.04 0.00 0.00 175.30 176.99 1bxr s ILE 572 N -2.85 3.23 0.00 4.99 1.01 -1.26 -0.44 121.20 125.87 1bxr s ILE 572 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1bxr s ILE 572 Cb -0.05 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1bxr s ILE 572 CO 0.09 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1bxr n GLY 573 N 4.24 3.03 2.60 6.18 0.00 -1.26 -4.92 105.19 115.06 1bxr n GLY 573 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1bxr n GLY 573 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bxr s GLN 574 N -0.79 1.45 0.00 1.61 -0.21 0.42 -4.76 119.66 117.37 1bxr s GLN 574 Ca 0.00 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 52.90 1bxr s GLN 574 Cb 0.00 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1bxr s GLN 574 CO 0.00 -1.32 0.00 0.41 -2.12 0.00 0.00 175.29 172.26 1bxr n GLY 575 N 2.68 4.56 0.43 3.09 0.00 -1.22 -0.35 105.19 114.37 1bxr n GLY 575 Ca 0.23 -1.94 0.24 0.00 0.00 0.00 0.00 46.02 44.55 1bxr n GLY 575 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bxr h ILE 576 N 0.00 0.43 -0.63 -0.61 2.10 -1.92 -2.00 117.51 114.88 1bxr h ILE 576 Ca 0.00 0.00 0.13 0.00 1.08 0.00 0.00 64.86 66.07 1bxr h ILE 576 Cb 0.00 0.57 -0.10 0.00 -1.09 0.00 0.00 36.82 36.20 1bxr h ILE 576 CO 0.00 0.00 0.08 -0.33 -1.08 0.00 0.00 178.15 176.82 1bxr h GLU 577 N 0.00 0.19 -0.68 2.19 3.07 -1.90 -0.27 114.58 117.18 1bxr h GLU 577 Ca 0.30 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1bxr h GLU 577 Cb 1.44 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 1bxr h GLU 577 CO -0.00 0.13 0.15 0.74 -1.40 0.00 0.00 179.01 178.62 1bxr h PHE 578 N 0.20 1.17 -0.45 4.33 0.04 -1.67 -2.59 116.94 117.96 1bxr h PHE 578 Ca 0.33 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1bxr h PHE 578 Cb 0.53 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1bxr h PHE 578 CO -0.30 0.96 0.18 0.22 -0.60 0.00 0.00 178.31 178.77 1bxr h ASP 579 N 1.03 0.62 -0.66 2.17 3.58 -1.32 -1.34 116.42 120.50 1bxr h ASP 579 Ca 0.21 -0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.58 1bxr h ASP 579 Cb 0.40 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.22 1bxr h ASP 579 CO 0.01 0.62 0.31 0.22 -2.88 0.00 0.00 179.24 177.52 1bxr h TYR 580 N 0.58 0.56 0.25 0.28 5.03 -1.00 0.36 116.97 123.03 1bxr h TYR 580 Ca 0.15 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 1bxr h TYR 580 Cb 0.20 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1bxr h TYR 580 CO 0.00 0.20 -0.12 0.00 -1.32 0.00 0.00 178.16 176.92 1bxr h VAL 583 N 0.40 1.24 -0.48 0.00 2.07 0.22 -1.79 116.25 117.92 1bxr h VAL 583 Ca 0.15 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1bxr h VAL 583 Cb 0.11 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1bxr h VAL 583 CO -0.03 0.31 -0.09 0.45 0.02 0.00 0.00 177.57 178.23 1bxr h HIS 584 N 0.63 1.01 -0.34 1.57 3.86 -0.03 0.72 115.15 122.57 1bxr h HIS 584 Ca 0.14 -0.21 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1bxr h HIS 584 Cb 0.36 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1bxr h HIS 584 CO 0.02 0.97 0.15 0.00 0.86 0.00 0.00 177.93 179.94 1bxr h ALA 585 N 0.89 0.41 -0.04 2.45 0.00 -1.08 0.89 119.26 122.78 1bxr h ALA 585 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bxr h ALA 585 Cb 0.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bxr h ALA 585 CO 0.04 -0.23 0.01 1.03 0.00 0.00 0.00 179.25 180.10 1bxr h SER 586 N 0.31 0.05 -0.36 0.00 0.87 -1.10 -1.32 113.55 112.01 1bxr h SER 586 Ca 0.15 -0.20 0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1bxr h SER 586 Cb 0.08 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.95 1bxr h SER 586 CO -0.12 0.23 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.20 1bxr h LEU 587 N -0.13 -0.50 0.67 2.23 4.07 -0.59 -0.96 115.31 120.10 1bxr h LEU 587 Ca 0.01 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1bxr h LEU 587 Cb 0.20 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1bxr h LEU 587 CO -0.00 -0.18 -0.37 0.00 -1.08 0.00 0.00 178.44 176.81 1bxr h ALA 588 N 1.23 -1.22 0.00 1.53 0.00 0.10 -2.85 119.26 118.05 1bxr h ALA 588 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 588 Cb 0.35 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1bxr h ALA 588 CO -0.41 -1.17 -0.02 -0.07 0.00 0.00 0.00 179.25 177.57 1bxr h LEU 589 N -0.96 0.00 0.56 0.00 3.38 -1.21 -2.35 115.31 114.74 1bxr h LEU 589 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1bxr h LEU 589 Cb 0.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1bxr h LEU 589 CO 0.12 0.02 -0.27 -0.09 0.09 0.00 0.00 178.44 178.31 1bxr h ARG 590 N 0.00 -0.73 -0.92 1.13 2.43 -1.06 0.37 114.38 115.60 1bxr h ARG 590 Ca -0.00 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.49 1bxr h ARG 590 Cb 0.06 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1bxr h ARG 590 CO 0.00 -0.42 0.74 1.49 -1.51 0.00 0.00 179.97 180.28 1bxr h GLU 591 N -1.01 0.00 -0.00 0.20 4.57 -1.24 3.63 114.58 120.72 1bxr h GLU 591 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1bxr h GLU 591 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1bxr h GLU 591 CO 0.13 0.00 -0.04 -0.25 -1.18 0.00 0.00 179.01 177.67 1bxr n ASP 592 N -4.00 0.48 0.00 1.04 9.92 -0.92 -4.92 116.55 118.16 1bxr n ASP 592 Ca 0.19 -0.90 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 1bxr n ASP 592 Cb 1.06 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.50 1bxr n ASP 592 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bxr n GLY 593 N 1.15 0.75 3.82 0.44 0.00 1.20 -5.06 105.19 107.49 1bxr n GLY 593 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1bxr n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 594 N -2.18 2.88 -0.38 1.61 2.02 0.08 -4.86 117.35 116.51 1bxr s TYR 594 Ca 0.00 1.07 -0.16 0.00 -0.37 0.00 0.00 57.07 57.61 1bxr s TYR 594 Cb 0.00 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 1bxr s TYR 594 CO 0.00 -1.75 0.39 -2.00 -1.57 0.00 0.00 175.55 170.62 1bxr s GLU 595 N -5.23 3.34 -0.17 -0.62 2.12 0.31 -4.50 118.70 113.94 1bxr s GLU 595 Ca 0.61 -0.59 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 1bxr s GLU 595 Cb -0.14 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1bxr s GLU 595 CO 0.53 -0.68 0.40 0.95 -0.54 0.00 0.00 175.26 175.93 1bxr s THR 596 N 2.05 5.22 -0.16 -1.70 -4.23 -1.26 -0.35 115.64 115.22 1bxr s THR 596 Ca 0.12 0.75 0.02 0.00 -1.18 0.00 0.00 61.69 61.39 1bxr s THR 596 Cb -0.17 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 69.95 1bxr s THR 596 CO 0.12 0.31 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.68 1bxr s ILE 597 N 0.89 2.02 -0.12 2.99 1.01 0.17 -0.67 121.20 127.48 1bxr s ILE 597 Ca 0.21 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1bxr s ILE 597 Cb -0.14 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1bxr s ILE 597 CO 0.08 0.54 0.02 -0.32 0.00 0.00 0.00 174.94 175.26 1bxr s MET 598 N 1.07 3.37 -0.23 2.79 1.75 -0.31 0.45 119.30 128.19 1bxr s MET 598 Ca -0.01 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.06 1bxr s MET 598 Cb -0.14 -2.95 0.05 0.00 2.84 0.00 0.00 34.83 34.63 1bxr s MET 598 CO -0.07 0.54 -0.10 0.08 -0.65 0.00 0.00 175.02 174.82 1bxr s VAL 599 N -0.41 1.82 0.03 10.11 1.01 -0.76 -1.83 120.40 130.36 1bxr s VAL 599 Ca 0.08 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.50 1bxr s VAL 599 Cb -0.12 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.41 1bxr s VAL 599 CO 0.02 0.05 0.95 0.21 0.00 0.00 0.00 175.10 176.33 1bxr s ASN 600 N 1.28 -0.28 0.00 3.32 2.47 -0.98 -0.46 114.94 120.30 1bxr s ASN 600 Ca -0.05 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.10 1bxr s ASN 600 Cb -0.18 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.01 1bxr s ASN 600 CO -0.07 -0.67 0.82 0.00 -3.72 0.00 0.00 177.10 173.47 1bxr s ASN 602 N -0.68 6.29 0.17 0.00 2.47 -1.26 -1.49 114.94 120.44 1bxr s ASN 602 Ca 0.00 -0.41 -0.13 0.00 0.42 0.00 0.00 52.86 52.74 1bxr s ASN 602 Cb 0.00 -2.29 0.07 0.00 -1.45 0.00 0.00 41.25 37.58 1bxr s ASN 602 CO 0.00 -0.70 1.78 1.55 -3.72 0.00 0.00 177.10 176.01 1bxr h PRO 603 N 8.80 0.79 0.00 0.43 0.14 -1.92 -3.21 132.00 137.03 1bxr h PRO 603 Ca -0.26 -0.09 0.00 0.00 0.14 0.00 0.00 66.00 65.79 1bxr h PRO 603 Cb 1.10 -0.15 0.00 0.00 0.14 0.00 0.00 31.00 32.09 1bxr h PRO 603 CO 0.86 0.61 0.03 0.39 0.14 0.00 0.00 178.00 180.02 1bxr n GLU 604 N -4.60 0.00 -3.99 0.86 1.02 -1.26 -4.79 120.64 107.88 1bxr n GLU 604 Ca 0.03 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 1bxr n GLU 604 Cb 0.09 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1bxr n GLU 604 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bxr s THR 605 N -2.25 4.93 0.17 2.62 -4.23 -1.21 -3.57 115.64 112.11 1bxr s THR 605 Ca 0.00 -0.58 0.22 0.00 -1.18 0.00 0.00 61.69 60.15 1bxr s THR 605 Cb 0.00 -3.39 0.20 0.00 1.34 0.00 0.00 72.50 70.65 1bxr s THR 605 CO 0.00 0.14 1.81 0.58 -0.54 0.00 0.00 174.62 176.61 1bxr h VAL 606 N 2.37 0.69 0.00 2.29 2.07 -1.90 -2.78 116.25 118.98 1bxr h VAL 606 Ca -0.46 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 65.76 1bxr h VAL 606 Cb 1.16 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1bxr h VAL 606 CO 0.70 0.27 -0.30 0.77 0.02 0.00 0.00 177.57 179.03 1bxr h SER 607 N 0.00 0.00 -0.50 0.57 4.64 -1.92 -2.55 113.55 113.79 1bxr h SER 607 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1bxr h SER 607 Cb 0.77 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.79 1bxr h SER 607 CO 0.04 0.30 0.16 0.35 -0.87 0.00 0.00 176.83 176.81 1bxr n THR 608 N -3.82 2.12 -3.56 2.95 -2.24 -1.05 -4.77 114.28 103.90 1bxr n THR 608 Ca -0.01 -1.09 -0.37 0.00 -2.27 0.00 0.00 64.05 60.31 1bxr n THR 608 Cb 0.39 -0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 1bxr n THR 608 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bxr s ASP 609 N -0.54 6.27 0.66 3.42 -1.08 -0.96 -4.97 116.67 119.47 1bxr s ASP 609 Ca 0.38 0.31 0.35 0.00 -0.52 0.00 0.00 52.55 53.07 1bxr s ASP 609 Cb 0.30 -2.16 1.93 0.00 -1.46 0.00 0.00 42.92 41.54 1bxr s ASP 609 CO 0.10 0.03 2.11 0.10 0.52 0.00 0.00 175.17 178.03 1bxr h TYR 610 N 7.28 0.00 0.00 -5.34 -0.00 -1.87 -1.92 116.97 115.12 1bxr h TYR 610 Ca -0.38 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.16 1bxr h TYR 610 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.87 1bxr h TYR 610 CO 0.65 0.00 -0.90 -0.44 -0.00 0.00 0.00 178.16 177.47 1bxr h ASP 611 N 0.00 0.02 -0.97 0.10 3.32 -1.93 -3.36 116.42 113.59 1bxr h ASP 611 Ca 0.01 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.17 1bxr h ASP 611 Cb 0.41 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 1bxr h ASP 611 CO -0.00 0.91 0.60 0.74 -1.72 0.00 0.00 179.24 179.77 1bxr h THR 612 N 0.01 0.89 -3.32 0.35 2.02 -1.61 -3.45 112.91 107.79 1bxr h THR 612 Ca -0.01 -0.32 -0.42 0.00 0.77 0.00 0.00 66.41 66.43 1bxr h THR 612 Cb 1.59 -0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 67.74 1bxr h THR 612 CO 0.12 0.17 -0.60 -0.94 0.37 0.00 0.00 175.52 174.64 1bxr s SER 613 N -5.64 1.82 0.00 4.18 1.04 -1.26 -4.39 113.70 109.45 1bxr s SER 613 Ca -0.12 -1.42 -0.19 0.00 0.48 0.00 0.00 55.95 54.70 1bxr s SER 613 Cb 0.22 0.11 -0.27 0.00 0.10 0.00 0.00 66.02 66.18 1bxr s SER 613 CO 0.80 -0.71 1.05 0.44 0.98 0.00 0.00 173.24 175.80 1bxr h ASP 614 N 2.21 0.62 -3.44 7.02 3.32 -1.46 -3.45 116.42 121.24 1bxr h ASP 614 Ca -0.39 -0.83 -0.45 0.00 0.02 0.00 0.00 57.03 55.39 1bxr h ASP 614 Cb 1.25 -0.19 -0.34 0.00 0.22 0.00 0.00 39.33 40.27 1bxr h ASP 614 CO 0.63 1.38 -0.79 -0.13 -1.72 0.00 0.00 179.24 178.62 1bxr s ARG 615 N -2.94 1.12 -0.17 3.56 0.52 0.15 -4.53 118.95 116.67 1bxr s ARG 615 Ca -0.12 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 1bxr s ARG 615 Cb 0.03 -1.03 0.02 0.00 0.52 0.00 0.00 34.95 34.49 1bxr s ARG 615 CO 0.86 -0.05 -0.19 -1.17 0.02 0.00 0.00 175.30 174.77 1bxr s LEU 616 N 0.84 2.04 -0.43 2.53 2.96 -0.04 -1.16 118.68 125.42 1bxr s LEU 616 Ca -0.12 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1bxr s LEU 616 Cb -0.15 -1.42 0.09 0.00 0.50 0.00 0.00 46.19 45.21 1bxr s LEU 616 CO 0.01 -0.01 0.27 -0.31 -1.32 0.00 0.00 176.35 175.00 1bxr s TYR 617 N 1.29 3.37 -1.38 5.38 1.51 -0.76 0.10 117.35 126.86 1bxr s TYR 617 Ca 0.04 -1.66 -0.16 0.00 -1.01 0.00 0.00 57.07 54.29 1bxr s TYR 617 Cb -0.13 -3.07 0.04 0.00 -0.11 0.00 0.00 41.96 38.69 1bxr s TYR 617 CO -0.12 -0.88 2.04 0.34 -1.11 0.00 0.00 175.55 175.81 1bxr n PHE 618 N 4.89 3.90 -4.39 2.71 -0.00 0.11 -2.31 117.46 122.37 1bxr n PHE 618 Ca -0.09 -2.87 -0.20 0.00 -0.00 0.00 0.00 57.45 54.28 1bxr n PHE 618 Cb 0.42 -2.57 -0.10 0.00 -0.00 0.00 0.00 39.48 37.24 1bxr n PHE 618 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1bxr s GLU 619 N 3.68 1.46 0.31 -4.13 0.41 -1.00 -4.68 118.70 114.75 1bxr s GLU 619 Ca 0.50 -1.65 -0.29 0.00 -0.41 0.00 0.00 54.97 53.11 1bxr s GLU 619 Cb 0.10 -1.36 -0.11 0.00 -1.78 0.00 0.00 34.13 30.98 1bxr s GLU 619 CO -0.02 0.24 1.51 -2.14 -0.49 0.00 0.00 175.26 174.36 1bxr s PRO 620 N -3.59 4.17 -1.38 0.39 0.02 -1.26 -3.82 135.00 129.53 1bxr s PRO 620 Ca 0.25 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 1bxr s PRO 620 Cb -0.02 -3.03 0.08 0.00 0.02 0.00 0.00 34.50 31.54 1bxr s PRO 620 CO 0.10 -0.52 2.04 0.28 -0.33 0.00 0.00 177.00 178.57 1bxr n VAL 621 N 1.69 3.78 -4.64 3.83 0.31 -1.26 -4.61 118.33 117.44 1bxr n VAL 621 Ca 0.05 -3.58 -0.29 0.00 -0.01 0.00 0.00 64.34 60.52 1bxr n VAL 621 Cb 0.39 -2.51 -0.10 0.00 -0.91 0.00 0.00 33.84 30.71 1bxr n VAL 621 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1bxr s THR 622 N 2.53 1.64 0.03 2.52 -4.23 -1.26 -4.89 115.64 111.98 1bxr s THR 622 Ca 0.46 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1bxr s THR 622 Cb 0.11 -2.73 -0.16 0.00 1.34 0.00 0.00 72.50 71.06 1bxr s THR 622 CO -0.04 0.00 1.44 0.25 -0.54 0.00 0.00 174.62 175.73 1bxr h LEU 623 N 1.70 0.13 0.31 4.79 5.85 -1.97 0.21 115.31 126.32 1bxr h LEU 623 Ca -0.43 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 1bxr h LEU 623 Cb 1.26 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1bxr h LEU 623 CO 0.77 0.43 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.94 1bxr h GLU 624 N -0.18 -0.59 -0.51 1.25 4.81 -1.97 0.26 114.58 117.65 1bxr h GLU 624 Ca 0.02 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1bxr h GLU 624 Cb 0.37 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1bxr h GLU 624 CO 0.00 -0.39 0.34 -0.44 -0.73 0.00 0.00 179.01 177.79 1bxr h ASP 625 N -0.61 0.57 0.86 1.04 3.32 -1.82 -1.79 116.42 117.99 1bxr h ASP 625 Ca -0.02 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1bxr h ASP 625 Cb 0.55 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1bxr h ASP 625 CO -0.05 0.41 -0.97 0.58 -1.72 0.00 0.00 179.24 177.49 1bxr h VAL 626 N 0.67 1.64 -0.14 -1.35 2.07 -0.43 -3.22 116.25 115.48 1bxr h VAL 626 Ca 0.19 -3.14 -0.19 0.00 0.82 0.00 0.00 66.70 64.39 1bxr h VAL 626 Cb -0.04 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1bxr h VAL 626 CO -0.04 0.90 -0.68 -0.07 0.02 0.00 0.00 177.57 177.70 1bxr h LEU 627 N 0.02 0.66 -1.42 2.57 3.38 -0.46 -1.70 115.31 118.36 1bxr h LEU 627 Ca -0.03 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1bxr h LEU 627 Cb 1.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1bxr h LEU 627 CO 0.13 1.15 -0.16 -0.33 0.09 0.00 0.00 178.44 179.32 1bxr h GLU 628 N 0.40 0.19 -0.08 1.13 4.39 -1.38 -0.78 114.58 118.44 1bxr h GLU 628 Ca -0.02 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1bxr h GLU 628 Cb 1.26 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1bxr h GLU 628 CO 0.13 0.35 -0.58 0.82 -1.16 0.00 0.00 179.01 178.57 1bxr h ILE 629 N 0.18 1.36 -0.91 3.13 2.04 -1.52 -3.12 117.51 118.67 1bxr h ILE 629 Ca 0.03 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 1bxr h ILE 629 Cb 0.39 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1bxr h ILE 629 CO 0.02 0.58 0.54 0.58 0.00 0.00 0.00 178.15 179.87 1bxr h VAL 630 N 0.14 1.25 -0.96 1.67 2.07 -1.06 0.20 116.25 119.56 1bxr h VAL 630 Ca -0.05 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.03 1bxr h VAL 630 Cb 1.24 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1bxr h VAL 630 CO 0.12 0.27 0.61 -0.09 0.02 0.00 0.00 177.57 178.50 1bxr h ARG 631 N 1.26 0.85 0.01 1.57 2.43 -1.12 0.62 114.38 120.00 1bxr h ARG 631 Ca 0.33 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 59.11 1bxr h ARG 631 Cb -0.03 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.27 1bxr h ARG 631 CO -0.06 0.56 -2.06 0.44 -1.51 0.00 0.00 179.97 177.34 1bxr n ILE 632 N -4.60 1.52 0.12 1.20 -5.35 -0.68 -4.34 119.36 107.22 1bxr n ILE 632 Ca 0.19 -0.80 -0.21 0.00 -0.27 0.00 0.00 62.75 61.65 1bxr n ILE 632 Cb 0.41 -0.84 -0.15 0.00 -1.74 0.00 0.00 39.64 37.31 1bxr n ILE 632 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1bxr h GLU 633 N 0.00 0.40 -5.99 6.28 4.39 -0.42 -3.46 114.58 115.78 1bxr h GLU 633 Ca -0.42 -0.69 -0.36 0.00 0.34 0.00 0.00 59.36 58.23 1bxr h GLU 633 Cb 2.11 0.26 0.11 0.00 -0.10 0.00 0.00 28.75 31.13 1bxr h GLU 633 CO 0.05 1.32 -0.86 1.63 -1.16 0.00 0.00 179.01 179.99 1bxr n LYS 634 N -3.61 -1.49 -1.35 2.33 5.02 0.22 -4.92 118.16 114.35 1bxr n LYS 634 Ca -0.14 0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 56.46 1bxr n LYS 634 Cb 1.07 -4.58 0.10 0.00 -0.02 0.00 0.00 35.03 31.59 1bxr n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bxr s PRO 635 N -5.34 2.08 0.05 1.97 0.04 -1.26 -4.91 135.00 127.63 1bxr s PRO 635 Ca 0.42 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 1bxr s PRO 635 Cb -0.13 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1bxr s PRO 635 CO 0.83 -1.84 1.33 -0.22 0.04 0.00 0.00 177.00 177.13 1bxr h LYS 636 N -0.59 0.42 -3.28 4.56 3.64 -1.18 -3.46 116.57 116.68 1bxr h LYS 636 Ca -0.46 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 58.60 1bxr h LYS 636 Cb 1.27 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 1bxr h LYS 636 CO 0.49 0.83 -0.14 0.20 -2.27 0.00 0.00 179.45 178.56 1bxr s GLY 637 N -3.55 -0.21 -0.05 5.01 0.00 -1.14 -4.80 107.32 102.57 1bxr s GLY 637 Ca -0.14 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1bxr s GLY 637 CO 0.77 -0.21 -0.15 0.14 0.00 0.00 0.00 173.10 173.66 1bxr s VAL 638 N -3.09 1.32 -0.24 1.40 1.01 0.59 -1.49 120.40 119.90 1bxr s VAL 638 Ca -0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1bxr s VAL 638 Cb 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1bxr s VAL 638 CO -0.07 0.39 0.31 -0.63 0.00 0.00 0.00 175.10 175.10 1bxr s ILE 639 N 0.30 5.25 -0.55 2.22 1.01 0.01 0.21 121.20 129.66 1bxr s ILE 639 Ca -0.09 0.47 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1bxr s ILE 639 Cb -0.13 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1bxr s ILE 639 CO 0.03 0.25 0.46 1.33 0.00 0.00 0.00 174.94 177.01 1bxr n VAL 640 N 4.62 0.00 0.99 2.92 0.24 -1.26 -2.34 118.33 123.49 1bxr n VAL 640 Ca -0.11 -0.41 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1bxr n VAL 640 Cb 0.51 1.06 0.43 0.00 -1.47 0.00 0.00 33.84 34.37 1bxr n VAL 640 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bxr n GLN 641 N -0.51 0.01 -0.36 7.34 3.00 -1.26 -3.69 117.38 121.91 1bxr n GLN 641 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.09 1bxr n GLN 641 Cb 0.13 -1.51 0.22 0.00 0.00 0.00 0.00 30.24 29.09 1bxr n GLN 641 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1bxr n TYR 642 N -1.52 0.79 -1.36 1.08 4.02 -1.26 -2.16 117.16 116.75 1bxr n TYR 642 Ca 0.06 -0.75 0.06 0.00 -0.01 0.00 0.00 57.90 57.26 1bxr n TYR 642 Cb 0.34 -0.22 0.08 0.00 -0.02 0.00 0.00 39.34 39.52 1bxr n TYR 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bxr n GLY 643 N -0.17 3.06 5.65 2.72 0.00 -1.25 -4.21 105.19 110.99 1bxr n GLY 643 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1bxr n GLY 643 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 644 N -0.85 -1.10 0.23 -0.02 0.00 -1.26 -3.82 105.19 98.36 1bxr n GLY 644 Ca 0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 1bxr n GLY 644 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bxr h GLN 645 N 0.00 0.36 0.44 1.61 5.75 -1.95 -3.22 115.11 118.09 1bxr h GLN 645 Ca 0.00 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1bxr h GLN 645 Cb 0.00 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1bxr h GLN 645 CO 0.00 0.58 -0.51 1.79 -2.65 0.00 0.00 178.83 178.04 1bxr h THR 646 N 0.32 0.02 0.00 2.39 1.35 -1.90 0.36 112.91 115.44 1bxr h THR 646 Ca 0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.85 1bxr h THR 646 Cb 0.60 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1bxr h THR 646 CO 0.04 0.00 -0.30 1.55 -0.25 0.00 0.00 175.52 176.56 1bxr h PRO 647 N -0.97 0.00 0.45 4.72 0.13 -1.79 -2.99 132.00 131.55 1bxr h PRO 647 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1bxr h PRO 647 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1bxr h PRO 647 CO -0.10 0.30 -0.21 1.25 -0.23 0.00 0.00 178.00 179.01 1bxr h LEU 648 N 0.00 -0.51 -1.85 1.56 5.85 -1.49 -1.59 115.31 117.28 1bxr h LEU 648 Ca -0.00 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1bxr h LEU 648 Cb 0.70 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1bxr h LEU 648 CO 0.04 -0.36 0.29 0.11 -0.34 0.00 0.00 178.44 178.17 1bxr h LYS 649 N -0.60 0.17 0.00 1.25 1.57 -0.81 -2.20 116.57 115.95 1bxr h LYS 649 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1bxr h LYS 649 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bxr h LYS 649 CO 0.10 0.11 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.72 1bxr h LEU 650 N 0.18 0.00 -0.98 2.94 3.38 -1.29 -3.39 115.31 116.16 1bxr h LEU 650 Ca 0.19 -0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.41 1bxr h LEU 650 Cb 0.53 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.15 1bxr h LEU 650 CO -0.03 0.01 0.52 0.00 0.09 0.00 0.00 178.44 179.03 1bxr h ALA 651 N 2.13 1.76 -0.23 1.53 0.00 -0.64 -1.22 119.26 122.59 1bxr h ALA 651 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1bxr h ALA 651 Cb 0.94 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bxr h ALA 651 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1bxr h ARG 652 N 0.42 0.40 0.00 0.00 3.08 -1.77 -2.62 114.38 113.88 1bxr h ARG 652 Ca 0.66 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.49 1bxr h ARG 652 Cb 1.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1bxr h ARG 652 CO -0.55 0.58 -0.44 0.00 -1.07 0.00 0.00 179.97 178.48 1bxr h ALA 653 N 0.81 1.00 0.77 0.04 0.00 -1.68 -1.93 119.26 118.27 1bxr h ALA 653 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1bxr h ALA 653 Cb 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bxr h ALA 653 CO 0.01 0.55 -0.37 -0.07 0.00 0.00 0.00 179.25 179.37 1bxr h LEU 654 N 0.00 -0.88 -0.43 0.00 3.38 -1.14 0.11 115.31 116.35 1bxr h LEU 654 Ca -0.00 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1bxr h LEU 654 Cb 0.95 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 1bxr h LEU 654 CO 0.06 -0.53 -0.18 -0.08 0.09 0.00 0.00 178.44 177.80 1bxr h GLU 655 N -1.23 -0.08 0.00 1.13 4.81 -1.50 0.58 114.58 118.28 1bxr h GLU 655 Ca -0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1bxr h GLU 655 Cb 0.79 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1bxr h GLU 655 CO 0.17 -0.06 0.00 0.00 -0.73 0.00 0.00 179.01 178.40 1bxr h ALA 656 N 1.25 1.00 -0.11 2.92 0.00 -1.33 -0.33 119.26 122.65 1bxr h ALA 656 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1bxr h ALA 656 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bxr h ALA 656 CO -0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1bxr n ALA 657 N -2.05 2.51 0.00 0.00 0.00 0.20 -4.92 120.51 116.25 1bxr n ALA 657 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1bxr n ALA 657 Cb 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1bxr n ALA 657 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 658 N 1.25 2.12 3.70 0.00 0.00 -0.14 -5.04 105.19 107.08 1bxr n GLY 658 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1bxr n GLY 658 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 659 N -1.95 2.49 -0.93 1.61 1.01 -0.65 -4.89 120.40 117.09 1bxr s VAL 659 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1bxr s VAL 659 Cb 0.00 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 1bxr s VAL 659 CO 0.00 0.00 1.97 -0.81 0.00 0.00 0.00 175.10 176.26 1bxr n PRO 660 N 5.16 1.78 -2.24 2.72 -0.04 -1.26 -3.93 135.00 137.18 1bxr n PRO 660 Ca 0.17 -2.06 -0.42 0.00 -0.04 0.00 0.00 63.50 61.15 1bxr n PRO 660 Cb 0.38 -3.06 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 1bxr n PRO 660 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bxr s VAL 661 N 5.20 3.79 0.34 0.52 1.01 -1.26 -0.30 120.40 129.70 1bxr s VAL 661 Ca 0.57 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1bxr s VAL 661 Cb 0.13 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1bxr s VAL 661 CO 0.08 -0.02 0.45 0.27 0.00 0.00 0.00 175.10 175.89 1bxr s ILE 662 N 2.59 3.90 0.00 2.22 -4.36 0.13 -4.80 121.20 120.88 1bxr s ILE 662 Ca 0.63 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 1bxr s ILE 662 Cb -0.30 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.07 1bxr s ILE 662 CO 0.25 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.90 1bxr n GLY 663 N -1.62 -1.15 3.68 6.27 0.00 -1.26 -4.54 105.19 106.57 1bxr n GLY 663 Ca 0.00 -1.33 -0.51 0.00 0.00 0.00 0.00 46.02 44.19 1bxr n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bxr n THR 664 N 0.00 0.33 -0.75 2.61 -1.04 0.71 -4.77 114.28 111.36 1bxr n THR 664 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 1bxr n THR 664 Cb 0.00 -1.51 0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1bxr n THR 664 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1bxr s SER 665 N 2.87 2.74 0.09 8.00 0.15 -1.26 -4.81 113.70 121.48 1bxr s SER 665 Ca 0.90 1.99 -0.25 0.00 0.70 0.00 0.00 55.95 59.29 1bxr s SER 665 Cb -0.82 -2.49 -0.15 0.00 -1.71 0.00 0.00 66.02 60.84 1bxr s SER 665 CO 0.52 -3.18 1.71 -0.65 1.20 0.00 0.00 173.24 172.84 1bxr h PRO 666 N -1.92 -0.19 -0.86 5.44 0.11 -1.90 0.36 132.00 133.03 1bxr h PRO 666 Ca -0.47 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1bxr h PRO 666 Cb 1.28 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1bxr h PRO 666 CO 0.45 -0.13 0.49 0.22 -0.21 0.00 0.00 178.00 178.81 1bxr h ASP 667 N -0.20 0.67 0.26 -2.05 3.58 -1.95 0.56 116.42 117.28 1bxr h ASP 667 Ca -0.02 0.06 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 1bxr h ASP 667 Cb 0.16 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1bxr h ASP 667 CO 0.02 0.35 -0.57 0.00 -2.88 0.00 0.00 179.24 176.17 1bxr h ALA 668 N 1.50 0.84 -0.54 -0.78 0.00 -1.77 0.29 119.26 118.79 1bxr h ALA 668 Ca 0.43 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bxr h ALA 668 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1bxr h ALA 668 CO -0.28 0.70 0.08 0.82 0.00 0.00 0.00 179.25 180.57 1bxr h ILE 669 N 0.24 1.25 -0.09 0.00 2.04 0.83 -1.46 117.51 120.33 1bxr h ILE 669 Ca 0.00 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1bxr h ILE 669 Cb 1.07 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1bxr h ILE 669 CO 0.09 0.35 -0.26 -0.78 0.00 0.00 0.00 178.15 177.55 1bxr h ASP 670 N 0.79 0.16 -0.59 1.72 3.58 0.31 0.35 116.42 122.73 1bxr h ASP 670 Ca 0.16 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1bxr h ASP 670 Cb 0.41 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1bxr h ASP 670 CO 0.01 0.42 0.35 0.03 -2.88 0.00 0.00 179.24 177.17 1bxr h ARG 671 N 0.14 0.82 0.01 0.28 3.08 0.08 -1.74 114.38 117.05 1bxr h ARG 671 Ca 0.02 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1bxr h ARG 671 Cb 0.54 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1bxr h ARG 671 CO 0.04 0.59 -0.76 0.00 -1.07 0.00 0.00 179.97 178.77 1bxr h ALA 672 N 1.55 0.15 0.00 0.04 0.00 -0.56 -2.26 119.26 118.18 1bxr h ALA 672 Ca 0.22 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1bxr h ALA 672 Cb -0.01 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bxr h ALA 672 CO -0.04 0.43 -0.07 0.93 0.00 0.00 0.00 179.25 180.50 1bxr h GLU 673 N -0.97 0.00 -5.43 0.00 4.39 -0.37 -3.40 114.58 108.80 1bxr h GLU 673 Ca -0.21 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.87 1bxr h GLU 673 Cb 1.20 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.72 1bxr h GLU 673 CO -0.11 0.07 0.09 0.34 -1.16 0.00 0.00 179.01 178.24 1bxr s ASP 674 N -6.56 6.44 0.36 1.42 -1.08 -0.66 -2.54 116.67 114.07 1bxr s ASP 674 Ca -0.04 0.31 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 1bxr s ASP 674 Cb 0.15 -2.31 0.70 0.00 -1.46 0.00 0.00 42.92 40.00 1bxr s ASP 674 CO 0.62 -0.47 1.93 0.03 0.52 0.00 0.00 175.17 177.80 1bxr h ARG 675 N 8.26 0.49 -0.09 4.34 3.08 -1.77 -1.18 114.38 127.50 1bxr h ARG 675 Ca -0.27 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1bxr h ARG 675 Cb 1.12 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1bxr h ARG 675 CO 0.79 0.47 -0.49 1.49 -1.07 0.00 0.00 179.97 181.17 1bxr h GLU 676 N 0.48 0.24 -0.00 0.04 4.81 -1.93 -2.37 114.58 115.85 1bxr h GLU 676 Ca 0.11 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1bxr h GLU 676 Cb 0.23 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1bxr h GLU 676 CO 0.00 0.68 -0.30 0.00 -0.73 0.00 0.00 179.01 178.65 1bxr h ARG 677 N 0.19 0.21 -0.14 1.92 3.08 -1.74 -2.83 114.38 115.07 1bxr h ARG 677 Ca 0.01 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1bxr h ARG 677 Cb 0.93 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1bxr h ARG 677 CO 0.08 0.95 -0.09 0.35 -1.07 0.00 0.00 179.97 180.19 1bxr h PHE 678 N -0.43 -0.21 -0.57 3.04 3.57 -0.59 0.57 116.94 122.32 1bxr h PHE 678 Ca -0.04 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1bxr h PHE 678 Cb 1.05 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1bxr h PHE 678 CO 0.17 -0.13 0.17 0.37 -2.23 0.00 0.00 178.31 176.66 1bxr h GLN 679 N -0.08 0.32 -0.10 1.11 4.15 -1.54 0.20 115.11 119.17 1bxr h GLN 679 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.52 1bxr h GLN 679 Cb 0.21 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1bxr h GLN 679 CO -0.20 0.21 -0.16 0.45 -1.93 0.00 0.00 178.83 177.21 1bxr h HIS 680 N 0.32 -0.40 -0.17 3.99 3.86 -1.13 -1.09 115.15 120.53 1bxr h HIS 680 Ca 0.29 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.54 1bxr h HIS 680 Cb 0.38 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1bxr h HIS 680 CO -0.20 -0.23 0.04 0.00 0.86 0.00 0.00 177.93 178.40 1bxr h ALA 681 N 0.81 0.17 -0.86 2.45 0.00 0.65 -1.62 119.26 120.86 1bxr h ALA 681 Ca 0.08 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1bxr h ALA 681 Cb 0.33 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1bxr h ALA 681 CO -0.22 -0.40 0.47 0.28 0.00 0.00 0.00 179.25 179.37 1bxr h VAL 682 N 0.11 0.78 0.47 0.00 2.07 -0.33 -1.08 116.25 118.27 1bxr h VAL 682 Ca 0.08 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1bxr h VAL 682 Cb 0.07 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1bxr h VAL 682 CO -0.10 0.13 -0.40 -0.08 0.02 0.00 0.00 177.57 177.14 1bxr h GLU 683 N 0.69 -0.84 -0.85 1.57 4.57 -0.29 -0.20 114.58 119.22 1bxr h GLU 683 Ca 0.46 0.06 0.19 0.00 -1.18 0.00 0.00 59.36 58.89 1bxr h GLU 683 Cb 0.60 0.19 -0.16 0.00 -0.16 0.00 0.00 28.75 29.22 1bxr h GLU 683 CO -0.33 -0.56 -0.07 -0.09 -1.18 0.00 0.00 179.01 176.77 1bxr h ARG 684 N -0.87 0.04 0.00 1.92 2.43 -0.58 1.23 114.38 118.55 1bxr h ARG 684 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1bxr h ARG 684 Cb 0.75 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1bxr h ARG 684 CO -0.02 0.03 0.00 -0.07 -1.51 0.00 0.00 179.97 178.39 1bxr h LEU 685 N 0.04 0.00 -1.80 3.80 3.38 -0.98 -3.47 115.31 116.28 1bxr h LEU 685 Ca 0.46 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.30 1bxr h LEU 685 Cb 0.81 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.62 1bxr h LEU 685 CO -0.81 0.00 -0.30 0.29 0.09 0.00 0.00 178.44 177.71 1bxr n LYS 686 N -2.87 -2.61 -2.31 1.13 4.01 0.42 -5.06 118.16 110.88 1bxr n LYS 686 Ca 0.02 0.33 -0.11 0.00 -0.51 0.00 0.00 58.31 58.03 1bxr n LYS 686 Cb 0.34 -3.81 0.02 0.00 -0.51 0.00 0.00 35.03 31.08 1bxr n LYS 686 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1bxr n LEU 687 N -2.22 0.00 -4.56 -0.35 4.77 -0.22 -5.01 117.00 109.41 1bxr n LEU 687 Ca -0.10 -1.35 -0.40 0.00 -0.03 0.00 0.00 56.01 54.12 1bxr n LEU 687 Cb 0.56 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1bxr n LEU 687 CO 0.24 -0.52 0.05 -0.75 -1.33 0.00 0.00 177.39 175.08 1bxr s LYS 688 N -3.24 3.67 0.17 3.23 2.20 -1.26 -4.79 119.74 119.71 1bxr s LYS 688 Ca 0.24 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.63 1bxr s LYS 688 Cb -0.02 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1bxr s LYS 688 CO 0.15 -0.48 -0.17 -1.14 -0.36 0.00 0.00 175.35 173.35 1bxr s GLN 689 N 2.06 1.26 0.74 4.03 0.74 -1.26 -0.42 119.66 126.81 1bxr s GLN 689 Ca 0.13 -1.41 -0.11 0.00 0.05 0.00 0.00 55.36 54.02 1bxr s GLN 689 Cb -0.16 -1.27 0.04 0.00 1.10 0.00 0.00 33.01 32.71 1bxr s GLN 689 CO 0.11 0.25 1.08 -2.14 -0.55 0.00 0.00 175.29 174.05 1bxr s PRO 690 N -2.87 2.50 -0.41 1.67 0.02 -1.26 -4.89 135.00 129.76 1bxr s PRO 690 Ca 0.16 1.10 -0.27 0.00 0.02 0.00 0.00 61.00 62.01 1bxr s PRO 690 Cb -0.05 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1bxr s PRO 690 CO 0.06 -1.45 2.31 0.00 -0.33 0.00 0.00 177.00 177.59 1bxr s ALA 691 N -2.95 2.03 0.14 -1.55 0.00 -1.26 -4.72 121.76 113.45 1bxr s ALA 691 Ca 0.60 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1bxr s ALA 691 Cb -0.16 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.70 1bxr s ALA 691 CO 0.55 -3.87 0.08 0.27 0.00 0.00 0.00 175.76 172.79 1bxr n ASN 692 N 14.30 0.49 -3.60 0.00 0.23 -1.26 -1.86 115.26 123.55 1bxr n ASN 692 Ca 0.33 -1.82 -0.12 0.00 -0.53 0.00 0.00 54.58 52.44 1bxr n ASN 692 Cb 0.51 0.49 -0.06 0.00 -2.08 0.00 0.00 39.78 38.64 1bxr n ASN 692 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bxr s ALA 693 N -2.46 -1.89 -0.35 -2.53 0.00 -0.31 -4.93 121.76 109.29 1bxr s ALA 693 Ca 0.11 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.75 1bxr s ALA 693 Cb 0.01 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.21 1bxr s ALA 693 CO 0.08 -0.30 0.13 0.99 0.00 0.00 0.00 175.76 176.66 1bxr s THR 694 N -0.30 3.79 0.22 0.00 2.01 -1.26 -0.18 115.64 119.91 1bxr s THR 694 Ca -0.01 -1.24 0.10 0.00 0.31 0.00 0.00 61.69 60.85 1bxr s THR 694 Cb -0.03 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1bxr s THR 694 CO -0.00 -0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.88 1bxr s VAL 695 N 1.38 3.07 0.00 3.82 1.01 -0.80 -4.94 120.40 123.94 1bxr s VAL 695 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1bxr s VAL 695 Cb -0.20 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1bxr s VAL 695 CO 0.02 -0.21 0.00 1.07 0.00 0.00 0.00 175.10 175.98 1bxr n THR 696 N -0.25 0.00 -4.18 3.92 5.66 -1.26 -1.89 114.28 116.28 1bxr n THR 696 Ca -0.09 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.75 1bxr n THR 696 Cb 0.57 -0.03 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 1bxr n THR 696 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bxr s ALA 697 N -1.91 0.54 0.00 1.79 0.00 -1.26 -5.04 121.76 115.88 1bxr s ALA 697 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1bxr s ALA 697 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1bxr s ALA 697 CO 0.00 0.10 0.97 -0.89 0.00 0.00 0.00 175.76 175.93 1bxr n ILE 698 N 2.58 0.00 -0.26 0.00 -0.00 -1.26 -1.73 119.36 118.69 1bxr n ILE 698 Ca -0.15 1.46 0.24 0.00 -0.00 0.00 0.00 62.75 64.30 1bxr n ILE 698 Cb 0.57 -1.95 0.45 0.00 -0.00 0.00 0.00 39.64 38.71 1bxr n ILE 698 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1bxr n GLU 699 N -2.91 -0.05 0.00 0.38 4.71 -1.26 0.19 120.64 121.71 1bxr n GLU 699 Ca 0.00 1.11 -0.12 0.00 -0.01 0.00 0.00 57.16 58.14 1bxr n GLU 699 Cb 0.00 -1.98 -0.10 0.00 -1.01 0.00 0.00 31.44 28.35 1bxr n GLU 699 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1bxr h MET 700 N 0.00 -0.07 -0.76 3.49 4.05 -1.86 -2.55 114.93 117.23 1bxr h MET 700 Ca 0.66 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 60.13 1bxr h MET 700 Cb 1.72 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.50 1bxr h MET 700 CO -0.63 0.48 0.50 0.00 0.23 0.00 0.00 176.91 177.49 1bxr h ALA 701 N 0.16 1.57 0.14 0.39 0.00 0.29 1.15 119.26 122.96 1bxr h ALA 701 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 701 Cb 0.59 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1bxr h ALA 701 CO 0.01 0.35 -0.50 0.28 0.00 0.00 0.00 179.25 179.39 1bxr h VAL 702 N 0.91 0.04 0.14 0.00 2.07 0.15 0.56 116.25 120.11 1bxr h VAL 702 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1bxr h VAL 702 Cb 0.08 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1bxr h VAL 702 CO -0.09 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.30 1bxr h GLU 703 N -0.74 -0.27 -0.67 1.57 4.57 -0.94 -2.62 114.58 115.49 1bxr h GLU 703 Ca -0.00 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1bxr h GLU 703 Cb 0.75 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.36 1bxr h GLU 703 CO -0.27 -0.18 0.44 -0.22 -1.18 0.00 0.00 179.01 177.60 1bxr h LYS 704 N -0.28 0.59 -0.18 1.92 1.63 0.16 -2.98 116.57 117.44 1bxr h LYS 704 Ca 0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1bxr h LYS 704 Cb 0.26 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1bxr h LYS 704 CO -0.02 0.39 0.05 0.00 -3.45 0.00 0.00 179.45 176.42 1bxr h ALA 705 N 1.65 0.23 -1.11 5.00 0.00 0.49 -2.95 119.26 122.58 1bxr h ALA 705 Ca 0.30 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.38 1bxr h ALA 705 Cb 0.38 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1bxr h ALA 705 CO -0.10 -0.14 0.75 0.87 0.00 0.00 0.00 179.25 180.63 1bxr h LYS 706 N 0.11 0.22 0.00 0.00 1.57 -1.35 -2.82 116.57 114.30 1bxr h LYS 706 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1bxr h LYS 706 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bxr h LYS 706 CO -0.00 0.14 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 1bxr n GLU 707 N -4.47 0.00 -0.13 3.15 1.02 -1.12 -4.33 120.64 114.76 1bxr n GLU 707 Ca 0.26 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.38 1bxr n GLU 707 Cb 1.05 -0.52 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 1bxr n GLU 707 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bxr n ILE 708 N -0.09 -0.20 0.00 -3.67 5.41 -1.17 -4.91 119.36 114.73 1bxr n ILE 708 Ca 0.00 0.76 0.00 0.00 1.00 0.00 0.00 62.75 64.51 1bxr n ILE 708 Cb 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1bxr n ILE 708 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxr n GLY 709 N -1.10 2.28 3.76 7.39 0.00 -1.07 -4.89 105.19 111.56 1bxr n GLY 709 Ca 0.01 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1bxr n GLY 709 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 710 N 0.00 2.46 0.51 1.61 2.02 -1.26 -4.42 117.35 118.27 1bxr s TYR 710 Ca 0.00 1.52 -0.09 0.00 -0.37 0.00 0.00 57.07 58.12 1bxr s TYR 710 Cb 0.00 -3.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.06 1bxr s TYR 710 CO 0.00 -2.08 0.88 -1.25 -1.57 0.00 0.00 175.55 171.53 1bxr s PRO 711 N -3.29 3.66 0.05 -1.71 0.04 -1.26 -4.94 135.00 127.55 1bxr s PRO 711 Ca 0.76 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.38 1bxr s PRO 711 Cb -0.29 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1bxr s PRO 711 CO 0.32 -0.28 -0.19 -1.17 0.04 0.00 0.00 177.00 175.72 1bxr s LEU 712 N -4.57 2.18 -0.39 -3.56 0.20 0.24 -0.90 118.68 111.88 1bxr s LEU 712 Ca 0.52 -0.52 -0.12 0.00 0.69 0.00 0.00 54.13 54.69 1bxr s LEU 712 Cb -0.10 -0.89 0.03 0.00 -0.43 0.00 0.00 46.19 44.80 1bxr s LEU 712 CO 0.43 0.12 0.24 -0.69 -0.29 0.00 0.00 176.35 176.16 1bxr s VAL 713 N -0.84 4.77 -0.75 1.68 1.01 -0.02 0.22 120.40 126.47 1bxr s VAL 713 Ca 0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1bxr s VAL 713 Cb -0.09 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1bxr s VAL 713 CO 0.02 -0.29 1.10 -0.69 0.00 0.00 0.00 175.10 175.24 1bxr s VAL 714 N 1.58 4.22 -0.34 2.92 1.01 -1.03 -0.99 120.40 127.78 1bxr s VAL 714 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1bxr s VAL 714 Cb -0.20 -4.78 0.05 0.00 0.00 0.00 0.00 36.38 31.45 1bxr s VAL 714 CO 0.07 -1.59 0.09 -0.13 0.00 0.00 0.00 175.10 173.54 1bxr s ARG 715 N 4.30 2.53 1.17 2.72 0.52 -0.67 -3.64 118.95 125.88 1bxr s ARG 715 Ca 0.28 -1.26 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 1bxr s ARG 715 Cb -0.12 -3.41 0.21 0.00 0.52 0.00 0.00 34.95 32.15 1bxr s ARG 715 CO 0.07 -0.70 0.52 -2.30 0.02 0.00 0.00 175.30 172.90 1bxr n PRO 716 N 4.75 -2.18 -4.21 3.54 -0.02 -1.26 -0.76 135.00 134.86 1bxr n PRO 716 Ca -0.12 -0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 60.41 1bxr n PRO 716 Cb 0.44 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1bxr n PRO 716 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1bxr s SER 717 N -2.12 5.42 -0.94 2.55 0.01 -1.24 -4.67 113.70 112.71 1bxr s SER 717 Ca 0.63 0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.95 1bxr s SER 717 Cb -0.19 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1bxr s SER 717 CO 0.66 0.30 0.56 -1.22 0.41 0.00 0.00 173.24 173.95 1bxr n TYR 718 N 1.47 -1.53 -4.29 2.43 4.02 -1.05 -4.00 117.16 114.21 1bxr n TYR 718 Ca -0.15 0.48 -0.15 0.00 -0.01 0.00 0.00 57.90 58.06 1bxr n TYR 718 Cb 0.53 -3.40 -0.10 0.00 -0.02 0.00 0.00 39.34 36.35 1bxr n TYR 718 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1bxr s VAL 719 N -3.06 0.85 0.04 -0.72 -7.23 -1.26 -4.90 120.40 104.12 1bxr s VAL 719 Ca 0.28 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1bxr s VAL 719 Cb -0.12 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1bxr s VAL 719 CO 0.34 -0.37 0.12 -1.48 -0.31 0.00 0.00 175.10 173.40 1bxr s LEU 720 N -3.25 1.70 0.00 1.32 0.05 -1.26 -4.83 118.68 112.41 1bxr s LEU 720 Ca 0.27 -0.48 0.00 0.00 0.05 0.00 0.00 54.13 53.96 1bxr s LEU 720 Cb 0.06 0.68 0.00 0.00 -2.05 0.00 0.00 46.19 44.88 1bxr s LEU 720 CO 0.07 -0.51 0.00 0.61 -0.55 0.00 0.00 176.35 175.96 1bxr n GLY 721 N 0.78 0.46 3.51 -3.48 0.00 -1.26 -3.70 105.19 101.48 1bxr n GLY 721 Ca -0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1bxr n GLY 721 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 722 N -2.93 -0.46 3.65 -0.02 0.00 -1.26 -1.97 105.19 102.21 1bxr n GLY 722 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1bxr n GLY 722 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 723 N -5.90 4.05 0.00 1.61 6.06 -1.24 -2.36 118.95 121.17 1bxr s ARG 723 Ca 0.34 2.24 0.00 0.00 -2.50 0.00 0.00 55.73 55.80 1bxr s ARG 723 Cb -0.15 -4.07 0.00 0.00 0.06 0.00 0.00 34.95 30.79 1bxr s ARG 723 CO 0.72 -1.02 0.00 0.00 -2.50 0.00 0.00 175.30 172.51 1bxr n ALA 724 N 7.71 0.00 -2.01 6.12 0.00 -1.26 -4.54 120.51 126.53 1bxr n ALA 724 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1bxr n ALA 724 Cb 0.43 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 1bxr n ALA 724 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1bxr s MET 725 N -0.09 4.70 0.01 0.00 -1.94 -0.99 -4.35 119.30 116.64 1bxr s MET 725 Ca 0.00 1.59 -0.22 0.00 -1.71 0.00 0.00 55.69 55.35 1bxr s MET 725 Cb 0.00 -3.30 0.05 0.00 2.01 0.00 0.00 34.83 33.59 1bxr s MET 725 CO 0.00 0.24 0.50 -2.00 -0.01 0.00 0.00 175.02 173.75 1bxr s GLU 726 N -0.59 0.95 -0.25 2.03 2.56 -1.24 -4.44 118.70 117.72 1bxr s GLU 726 Ca 0.46 -0.13 -0.18 0.00 0.00 0.00 0.00 54.97 55.12 1bxr s GLU 726 Cb -0.27 0.44 -0.03 0.00 2.00 0.00 0.00 34.13 36.27 1bxr s GLU 726 CO 0.33 -0.32 0.52 0.42 -0.56 0.00 0.00 175.26 175.66 1bxr s ILE 727 N -1.95 5.07 -0.07 -3.70 1.01 -1.26 -2.46 121.20 117.84 1bxr s ILE 727 Ca -0.08 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 61.36 1bxr s ILE 727 Cb -0.01 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1bxr s ILE 727 CO 0.02 0.10 0.29 0.68 0.00 0.00 0.00 174.94 176.03 1bxr s VAL 728 N 2.18 5.25 -0.01 2.92 -7.23 0.59 -4.90 120.40 119.19 1bxr s VAL 728 Ca 0.22 0.56 0.06 0.00 -1.81 0.00 0.00 61.98 61.01 1bxr s VAL 728 Cb -0.16 -3.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 1bxr s VAL 728 CO 0.09 0.57 0.13 -1.22 -0.31 0.00 0.00 175.10 174.36 1bxr n TYR 729 N 2.12 0.00 -2.45 2.82 4.01 -1.26 0.83 117.16 123.22 1bxr n TYR 729 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1bxr n TYR 729 Cb 0.53 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1bxr n TYR 729 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1bxr n ASP 730 N -1.75 0.00 0.00 7.72 5.75 -1.26 -4.80 116.55 122.21 1bxr n ASP 730 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1bxr n ASP 730 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1bxr n ASP 730 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1bxr n GLU 731 N 0.00 0.00 0.00 0.11 -0.00 -1.26 -3.65 120.64 115.84 1bxr n GLU 731 Ca 0.00 0.40 0.11 0.00 -0.00 0.00 0.00 57.16 57.68 1bxr n GLU 731 Cb 0.00 -1.33 0.65 0.00 -0.00 0.00 0.00 31.44 30.76 1bxr n GLU 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bxr n ALA 732 N -1.60 2.30 0.82 -1.84 0.00 -1.26 -1.80 120.51 117.12 1bxr n ALA 732 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1bxr n ALA 732 Cb 0.00 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.46 1bxr n ALA 732 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bxr n ASP 733 N -1.09 0.46 -0.09 0.00 8.00 -1.24 -3.05 116.55 119.54 1bxr n ASP 733 Ca 0.15 0.27 -0.21 0.00 0.71 0.00 0.00 54.79 55.72 1bxr n ASP 733 Cb 0.11 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.83 1bxr n ASP 733 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1bxr n LEU 734 N -1.82 2.69 -0.15 0.64 7.94 -0.75 -3.78 117.00 121.78 1bxr n LEU 734 Ca 0.06 0.05 -0.01 0.00 -1.11 0.00 0.00 56.01 54.99 1bxr n LEU 734 Cb 0.38 -0.96 0.22 0.00 0.53 0.00 0.00 43.42 43.59 1bxr n LEU 734 CO 0.32 0.83 1.06 0.03 -1.11 0.00 0.00 177.39 178.52 1bxr h ARG 735 N -0.17 0.86 -0.37 1.96 3.08 -1.64 -2.26 114.38 115.84 1bxr h ARG 735 Ca -0.54 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.35 1bxr h ARG 735 Cb 1.87 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 1bxr h ARG 735 CO -0.09 0.70 0.11 -0.09 -1.07 0.00 0.00 179.97 179.53 1bxr h ARG 736 N 0.85 0.58 -0.15 0.04 2.43 -1.72 -3.33 114.38 113.07 1bxr h ARG 736 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1bxr h ARG 736 Cb 0.16 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1bxr h ARG 736 CO -0.02 0.60 0.00 0.66 -1.51 0.00 0.00 179.97 179.70 1bxr n TYR 737 N -4.62 0.17 -0.03 2.20 4.01 -1.18 -4.74 117.16 112.97 1bxr n TYR 737 Ca -0.01 -0.10 -0.12 0.00 -0.16 0.00 0.00 57.90 57.52 1bxr n TYR 737 Cb 0.18 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 1bxr n TYR 737 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1bxr h PHE 738 N 4.17 -0.05 -0.17 -0.72 3.57 -1.52 -3.15 116.94 119.08 1bxr h PHE 738 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1bxr h PHE 738 Cb 0.91 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1bxr h PHE 738 CO 0.09 0.62 0.13 0.37 -2.23 0.00 0.00 178.31 177.29 1bxr h GLN 739 N -0.85 0.00 -0.01 1.11 5.75 -1.85 -1.65 115.11 117.60 1bxr h GLN 739 Ca -0.01 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 1bxr h GLN 739 Cb 0.69 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1bxr h GLN 739 CO 0.01 0.00 -0.90 1.15 -2.65 0.00 0.00 178.83 176.44 1bxr h THR 740 N 0.00 1.40 0.00 2.39 2.02 -1.88 0.62 112.91 117.46 1bxr h THR 740 Ca 0.08 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.73 1bxr h THR 740 Cb 0.33 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1bxr h THR 740 CO -0.00 0.72 -0.57 0.00 0.37 0.00 0.00 175.52 176.04 1bxr h ALA 741 N 0.78 1.03 0.14 6.16 0.00 -1.28 -2.98 119.26 123.12 1bxr h ALA 741 Ca -0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 1bxr h ALA 741 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1bxr h ALA 741 CO 0.15 0.71 -1.42 0.28 0.00 0.00 0.00 179.25 178.97 1bxr h VAL 742 N 0.00 1.29 -0.79 0.00 2.07 -1.30 -1.75 116.25 115.78 1bxr h VAL 742 Ca -0.01 -2.88 0.01 0.00 0.82 0.00 0.00 66.70 64.65 1bxr h VAL 742 Cb 1.02 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 1bxr h VAL 742 CO 0.07 0.85 0.53 0.77 0.02 0.00 0.00 177.57 179.81 1bxr h SER 743 N 0.08 0.91 1.12 0.57 4.64 -0.82 -1.83 113.55 118.22 1bxr h SER 743 Ca -0.21 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1bxr h SER 743 Cb 2.02 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1bxr h SER 743 CO 0.19 0.66 -0.33 1.33 -0.87 0.00 0.00 176.83 177.81 1bxr n VAL 744 N -4.41 0.43 0.28 0.95 0.24 -1.13 -4.34 118.33 110.35 1bxr n VAL 744 Ca 0.09 -0.26 0.18 0.00 -2.04 0.00 0.00 64.34 62.31 1bxr n VAL 744 Cb 0.03 -0.32 0.96 0.00 -1.47 0.00 0.00 33.84 33.04 1bxr n VAL 744 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1bxr h SER 745 N 0.00 0.00 -3.52 -1.34 0.87 -0.41 -3.43 113.55 105.72 1bxr h SER 745 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1bxr h SER 745 Cb 0.72 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.76 1bxr h SER 745 CO 0.00 0.00 -0.35 -3.20 -0.53 0.00 0.00 176.83 172.75 1bxr n ASN 746 N -3.46 -4.01 -0.81 6.23 4.05 -1.26 -3.16 115.26 112.86 1bxr n ASN 746 Ca -0.01 -0.28 -0.11 0.00 0.45 0.00 0.00 54.58 54.63 1bxr n ASN 746 Cb 0.22 -2.82 -0.05 0.00 1.23 0.00 0.00 39.78 38.36 1bxr n ASN 746 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1bxr n ASP 747 N -0.95 -5.33 -4.80 1.20 9.92 -1.26 -4.97 116.55 110.36 1bxr n ASP 747 Ca -0.01 0.26 -0.23 0.00 -0.53 0.00 0.00 54.79 54.28 1bxr n ASP 747 Cb 0.54 -3.76 -0.05 0.00 -0.64 0.00 0.00 41.12 37.21 1bxr n ASP 747 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bxr s ALA 748 N -2.04 3.80 0.20 2.24 0.00 -1.19 -5.13 121.76 119.65 1bxr s ALA 748 Ca 0.00 -2.01 -0.20 0.00 0.00 0.00 0.00 51.96 49.76 1bxr s ALA 748 Cb 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1bxr s ALA 748 CO 0.00 -0.19 0.71 -1.25 0.00 0.00 0.00 175.76 175.03 1bxr s PRO 749 N -4.01 4.26 -0.19 0.00 0.04 -1.26 -4.79 135.00 129.05 1bxr s PRO 749 Ca 0.44 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 62.14 1bxr s PRO 749 Cb 0.01 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1bxr s PRO 749 CO 0.25 0.43 0.63 0.08 0.04 0.00 0.00 177.00 178.43 1bxr s VAL 750 N -1.46 5.03 0.50 -0.36 1.01 -0.80 -3.73 120.40 120.59 1bxr s VAL 750 Ca 0.41 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.40 1bxr s VAL 750 Cb -0.17 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1bxr s VAL 750 CO 0.21 0.12 0.98 -0.22 0.00 0.00 0.00 175.10 176.20 1bxr s LEU 751 N 1.84 3.67 -0.32 3.92 2.96 0.06 -1.90 118.68 128.91 1bxr s LEU 751 Ca 0.29 1.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.80 1bxr s LEU 751 Cb -0.16 -4.51 0.10 0.00 0.50 0.00 0.00 46.19 42.12 1bxr s LEU 751 CO 0.11 -0.56 0.09 -0.76 -1.32 0.00 0.00 176.35 173.90 1bxr s LEU 752 N -3.94 3.05 0.23 -0.68 1.02 0.75 -1.67 118.68 117.43 1bxr s LEU 752 Ca 0.59 -1.83 0.06 0.00 0.02 0.00 0.00 54.13 52.98 1bxr s LEU 752 Cb -0.10 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 44.97 1bxr s LEU 752 CO 0.29 -0.40 0.22 -0.62 0.02 0.00 0.00 176.35 175.85 1bxr s ASP 753 N 1.36 5.71 -0.14 2.29 2.15 -0.16 -1.16 116.67 126.72 1bxr s ASP 753 Ca 0.10 -0.15 -0.21 0.00 0.43 0.00 0.00 52.55 52.73 1bxr s ASP 753 Cb -0.18 -1.52 -0.03 0.00 -0.30 0.00 0.00 42.92 40.89 1bxr s ASP 753 CO -0.19 -0.02 0.59 -2.28 -0.17 0.00 0.00 175.17 173.10 1bxr s HIS 754 N -2.01 3.48 0.01 -5.34 5.65 -0.78 -0.84 115.29 115.46 1bxr s HIS 754 Ca 0.33 1.00 -0.30 0.00 0.25 0.00 0.00 55.06 56.33 1bxr s HIS 754 Cb -0.09 -2.71 -0.07 0.00 -1.18 0.00 0.00 32.58 28.53 1bxr s HIS 754 CO 0.26 0.01 1.61 0.12 -0.65 0.00 0.00 174.74 176.09 1bxr s PHE 755 N 1.17 2.32 -0.71 3.88 5.36 -0.08 -4.75 117.98 125.17 1bxr s PHE 755 Ca 0.30 0.35 -0.18 0.00 -0.96 0.00 0.00 56.93 56.44 1bxr s PHE 755 Cb -0.16 -3.89 0.13 0.00 -0.34 0.00 0.00 43.02 38.76 1bxr s PHE 755 CO 0.12 -3.63 0.81 -0.51 -1.46 0.00 0.00 175.22 170.55 1bxr s LEU 756 N 3.15 5.60 0.71 6.12 1.43 -1.26 -4.80 118.68 129.63 1bxr s LEU 756 Ca 0.72 -1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1bxr s LEU 756 Cb -0.36 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1bxr s LEU 756 CO 0.30 -0.99 1.14 -0.62 0.23 0.00 0.00 176.35 176.41 1bxr s ASP 757 N 3.33 4.64 -1.53 2.29 2.15 -1.26 -3.65 116.67 122.64 1bxr s ASP 757 Ca 0.17 2.10 -0.16 0.00 0.43 0.00 0.00 52.55 55.09 1bxr s ASP 757 Cb -0.17 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.03 1bxr s ASP 757 CO -0.00 -1.95 0.64 0.47 -0.17 0.00 0.00 175.17 174.15 1bxr n ASP 758 N -2.72 -3.01 -4.84 -0.34 8.00 -1.26 -4.93 116.55 107.45 1bxr n ASP 758 Ca 0.11 -0.81 -0.27 0.00 0.71 0.00 0.00 54.79 54.53 1bxr n ASP 758 Cb 0.52 -2.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.07 1bxr n ASP 758 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxr s ALA 759 N -3.10 3.69 -0.18 2.24 0.00 -1.24 -4.82 121.76 118.36 1bxr s ALA 759 Ca 0.64 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 1bxr s ALA 759 Cb -0.35 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1bxr s ALA 759 CO 0.78 0.57 0.13 0.08 0.00 0.00 0.00 175.76 177.32 1bxr s VAL 760 N -1.68 5.40 -0.05 0.00 1.01 -1.16 -1.68 120.40 122.25 1bxr s VAL 760 Ca 0.32 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1bxr s VAL 760 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1bxr s VAL 760 CO 0.25 0.49 0.16 -0.70 0.00 0.00 0.00 175.10 175.30 1bxr s GLU 761 N -0.05 3.40 0.01 2.72 2.12 -1.26 0.17 118.70 125.81 1bxr s GLU 761 Ca 0.10 -0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1bxr s GLU 761 Cb -0.11 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1bxr s GLU 761 CO -0.00 0.71 -0.07 0.08 -0.54 0.00 0.00 175.26 175.43 1bxr s VAL 762 N -1.21 0.55 -0.10 3.70 1.01 0.34 -1.99 120.40 122.69 1bxr s VAL 762 Ca 0.23 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1bxr s VAL 762 Cb -0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 1bxr s VAL 762 CO 0.13 0.05 -0.23 -1.81 0.00 0.00 0.00 175.10 173.24 1bxr s ASP 763 N -0.44 3.15 -0.11 3.32 1.01 -0.71 -1.12 116.67 121.76 1bxr s ASP 763 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.72 1bxr s ASP 763 Cb -0.04 -1.42 0.02 0.00 1.01 0.00 0.00 42.92 42.49 1bxr s ASP 763 CO -0.00 0.16 -0.11 -0.69 0.21 0.00 0.00 175.17 174.74 1bxr s VAL 764 N 0.36 1.20 -0.10 -1.27 1.01 0.72 -0.23 120.40 122.07 1bxr s VAL 764 Ca -0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1bxr s VAL 764 Cb -0.18 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1bxr s VAL 764 CO 0.08 0.39 0.07 -1.81 0.00 0.00 0.00 175.10 173.83 1bxr s ASP 765 N 1.37 5.77 0.10 3.32 1.01 0.53 -0.70 116.67 128.08 1bxr s ASP 765 Ca -0.00 0.29 -0.26 0.00 0.71 0.00 0.00 52.55 53.28 1bxr s ASP 765 Cb -0.14 -1.76 0.08 0.00 1.01 0.00 0.00 42.92 42.11 1bxr s ASP 765 CO -0.05 0.38 0.94 0.00 0.21 0.00 0.00 175.17 176.65 1bxr s ALA 766 N -0.90 -1.72 0.02 5.23 0.00 -0.91 1.00 121.76 124.48 1bxr s ALA 766 Ca 0.14 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.57 1bxr s ALA 766 Cb -0.12 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1bxr s ALA 766 CO 0.03 -0.94 -0.22 0.42 0.00 0.00 0.00 175.76 175.05 1bxr s ILE 767 N -3.22 1.77 -0.06 0.00 1.01 -0.81 -1.19 121.20 118.70 1bxr s ILE 767 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1bxr s ILE 767 Cb -0.01 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1bxr s ILE 767 CO -0.01 0.35 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 1bxr n ASP 769 N 4.44 3.95 0.00 0.00 5.68 -0.13 -2.03 116.55 128.47 1bxr n ASP 769 Ca -0.19 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 1bxr n ASP 769 Cb 0.50 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1bxr n ASP 769 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bxr n GLY 770 N 1.08 2.77 0.13 6.12 0.00 -1.26 -4.62 105.19 109.41 1bxr n GLY 770 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1bxr n GLY 770 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bxr n GLU 771 N -0.08 0.67 -4.25 1.61 1.02 -1.26 -5.04 120.64 113.31 1bxr n GLU 771 Ca 0.00 0.29 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 1bxr n GLU 771 Cb 0.00 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 1bxr n GLU 771 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr s MET 772 N -2.50 1.61 -0.16 3.49 0.23 -1.26 -5.13 119.30 115.57 1bxr s MET 772 Ca -0.30 -1.90 -0.02 0.00 -1.03 0.00 0.00 55.69 52.44 1bxr s MET 772 Cb 0.08 0.31 0.05 0.00 -1.53 0.00 0.00 34.83 33.75 1bxr s MET 772 CO 0.65 -0.58 0.03 0.08 -2.03 0.00 0.00 175.02 173.16 1bxr s VAL 773 N -3.63 0.47 -0.12 5.16 1.01 -1.26 -0.96 120.40 121.07 1bxr s VAL 773 Ca 0.40 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1bxr s VAL 773 Cb 0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1bxr s VAL 773 CO 0.23 -0.06 0.33 -0.22 0.00 0.00 0.00 175.10 175.38 1bxr s LEU 774 N 1.90 4.30 -0.16 3.92 2.96 0.26 -4.96 118.68 126.90 1bxr s LEU 774 Ca 0.01 0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 54.33 1bxr s LEU 774 Cb -0.16 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1bxr s LEU 774 CO -0.07 0.15 0.74 -0.63 -1.32 0.00 0.00 176.35 175.21 1bxr s ILE 775 N 0.09 4.96 -0.14 6.68 -1.09 -1.26 -1.93 121.20 128.51 1bxr s ILE 775 Ca 0.19 1.44 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 1bxr s ILE 775 Cb -0.14 -4.05 -0.24 0.00 -1.58 0.00 0.00 42.46 36.45 1bxr s ILE 775 CO 0.07 0.10 0.39 1.23 -1.23 0.00 0.00 174.94 175.49 1bxr h GLY 776 N 7.95 0.20 -6.06 6.18 0.00 0.29 -3.40 103.07 108.24 1bxr h GLY 776 Ca -0.32 -0.51 0.20 0.00 0.00 0.00 0.00 47.33 46.70 1bxr h GLY 776 CO 0.80 0.45 0.89 -0.32 0.00 0.00 0.00 176.54 178.36 1bxr s GLY 777 N -5.14 0.42 -0.28 4.60 0.00 -0.31 -4.82 107.32 101.79 1bxr s GLY 777 Ca -0.24 3.61 -0.01 0.00 0.00 0.00 0.00 44.72 48.08 1bxr s GLY 777 CO 0.71 2.04 -0.03 -0.42 0.00 0.00 0.00 173.10 175.40 1bxr s ILE 778 N 0.12 2.87 -0.09 0.90 1.01 -1.26 -0.34 121.20 124.41 1bxr s ILE 778 Ca 0.06 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1bxr s ILE 778 Cb -0.05 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1bxr s ILE 778 CO -0.16 0.01 -0.10 -0.04 0.00 0.00 0.00 174.94 174.66 1bxr s MET 779 N 1.27 2.92 -0.29 2.79 -1.94 0.67 -4.04 119.30 120.69 1bxr s MET 779 Ca -0.04 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.24 1bxr s MET 779 Cb -0.19 -2.58 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 1bxr s MET 779 CO -0.03 0.51 0.15 -2.00 -0.01 0.00 0.00 175.02 173.65 1bxr s GLU 780 N -0.41 3.60 0.45 2.03 2.12 0.59 -1.74 118.70 125.33 1bxr s GLU 780 Ca 0.05 -0.54 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 1bxr s GLU 780 Cb -0.12 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.64 1bxr s GLU 780 CO 0.02 -0.30 1.15 -1.01 -0.54 0.00 0.00 175.26 174.58 1bxr s HIS 781 N 1.66 2.92 -0.11 5.30 3.76 -0.84 0.06 115.29 128.05 1bxr s HIS 781 Ca 0.06 1.55 -0.09 0.00 -0.15 0.00 0.00 55.06 56.43 1bxr s HIS 781 Cb -0.16 -3.35 -0.08 0.00 1.11 0.00 0.00 32.58 30.10 1bxr s HIS 781 CO 0.07 -1.40 0.25 0.82 -0.85 0.00 0.00 174.74 173.64 1bxr h ILE 782 N 1.90 0.50 -3.91 0.60 5.03 -0.77 -3.43 117.51 117.42 1bxr h ILE 782 Ca -0.49 -1.34 -0.52 0.00 -0.12 0.00 0.00 64.86 62.39 1bxr h ILE 782 Cb 1.24 0.93 0.06 0.00 -3.03 0.00 0.00 36.82 36.02 1bxr h ILE 782 CO 0.60 0.17 0.57 -1.61 -0.68 0.00 0.00 178.15 177.20 1bxr s GLU 783 N -1.86 4.21 1.03 2.37 8.01 -1.26 -4.71 118.70 126.49 1bxr s GLU 783 Ca -0.06 2.04 -0.12 0.00 0.01 0.00 0.00 54.97 56.84 1bxr s GLU 783 Cb -0.01 -2.89 0.21 0.00 -4.31 0.00 0.00 34.13 27.13 1bxr s GLU 783 CO 0.20 -0.25 1.08 1.14 0.01 0.00 0.00 175.26 177.44 1bxr s GLN 784 N -2.01 0.17 0.39 1.61 0.00 -1.26 -4.51 119.66 114.05 1bxr s GLN 784 Ca 0.53 0.65 -0.27 0.00 -0.00 0.00 0.00 55.36 56.27 1bxr s GLN 784 Cb -0.36 -1.70 -0.11 0.00 0.00 0.00 0.00 33.01 30.85 1bxr s GLN 784 CO 0.46 -2.94 1.37 0.00 0.00 0.00 0.00 175.29 174.18 1bxr n ALA 785 N -4.34 1.76 0.00 2.60 0.00 -0.67 -2.53 120.51 117.32 1bxr n ALA 785 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1bxr n ALA 785 Cb 0.56 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1bxr n ALA 785 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 786 N 0.64 2.32 3.23 0.00 0.00 -1.26 -4.79 105.19 105.33 1bxr n GLY 786 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1bxr n GLY 786 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 787 N -2.28 3.64 0.02 1.61 1.01 -1.05 -1.87 120.40 121.48 1bxr s VAL 787 Ca 0.00 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 1bxr s VAL 787 Cb 0.00 -3.18 -0.14 0.00 0.00 0.00 0.00 36.38 33.06 1bxr s VAL 787 CO 0.00 -0.32 0.71 1.57 0.00 0.00 0.00 175.10 177.05 1bxr n HIS 788 N 4.76 0.36 -0.27 5.22 -0.00 0.12 -4.64 115.22 120.76 1bxr n HIS 788 Ca -0.10 0.74 0.27 0.00 0.46 0.00 0.00 57.72 59.08 1bxr n HIS 788 Cb 0.43 -1.46 0.62 0.00 -0.12 0.00 0.00 29.99 29.47 1bxr n HIS 788 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bxr h SER 789 N 1.94 0.22 0.49 0.26 4.64 -1.91 0.17 113.55 119.36 1bxr h SER 789 Ca -0.34 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1bxr h SER 789 Cb 1.01 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1bxr h SER 789 CO 0.45 0.06 -0.03 1.23 -0.87 0.00 0.00 176.83 177.66 1bxr h GLY 790 N 0.20 0.00 -0.86 -0.77 0.00 -1.98 -2.43 103.07 97.23 1bxr h GLY 790 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1bxr h GLY 790 CO -0.13 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.63 1bxr n ASP 791 N -3.23 1.94 -4.87 0.19 8.00 0.55 -4.72 116.55 114.42 1bxr n ASP 791 Ca -0.01 -1.47 -0.33 0.00 0.71 0.00 0.00 54.79 53.68 1bxr n ASP 791 Cb 0.20 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1bxr n ASP 791 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1bxr s SER 792 N -0.87 6.67 0.50 -2.24 0.01 -0.87 -4.76 113.70 112.13 1bxr s SER 792 Ca 0.13 0.89 -0.14 0.00 1.31 0.00 0.00 55.95 58.14 1bxr s SER 792 Cb 0.09 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 1bxr s SER 792 CO 0.13 0.05 0.92 0.00 0.41 0.00 0.00 173.24 174.75 1bxr s ALA 793 N -1.60 3.16 0.03 1.44 0.00 -1.26 -4.65 121.76 118.88 1bxr s ALA 793 Ca 0.40 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1bxr s ALA 793 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1bxr s ALA 793 CO 0.20 -0.24 0.27 0.00 0.00 0.00 0.00 175.76 175.99 1bxr s SER 795 N -1.86 3.95 -0.19 0.00 0.15 0.11 -1.28 113.70 114.59 1bxr s SER 795 Ca -0.08 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 1bxr s SER 795 Cb -0.02 -0.76 0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1bxr s SER 795 CO -0.01 0.31 0.09 -0.22 1.20 0.00 0.00 173.24 174.60 1bxr s LEU 796 N -1.02 0.50 0.89 3.45 0.20 -0.38 -0.30 118.68 122.02 1bxr s LEU 796 Ca 0.13 -0.74 -0.14 0.00 0.69 0.00 0.00 54.13 54.07 1bxr s LEU 796 Cb -0.11 -0.31 0.15 0.00 -0.43 0.00 0.00 46.19 45.49 1bxr s LEU 796 CO 0.03 -0.36 1.26 -2.16 -0.29 0.00 0.00 176.35 174.82 1bxr s PRO 797 N 2.09 1.20 0.58 0.98 0.04 -1.26 -0.70 135.00 137.93 1bxr s PRO 797 Ca 0.03 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 1bxr s PRO 797 Cb -0.16 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1bxr s PRO 797 CO -0.13 -2.06 0.75 0.00 0.04 0.00 0.00 177.00 175.60 1bxr n ALA 798 N -3.56 -0.49 0.52 8.56 0.00 -1.25 -4.77 120.51 119.52 1bxr n ALA 798 Ca 0.12 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1bxr n ALA 798 Cb 0.60 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 1bxr n ALA 798 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1bxr n TYR 799 N -1.68 0.00 0.00 0.00 4.11 -1.26 -4.72 117.16 113.61 1bxr n TYR 799 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1bxr n TYR 799 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 1bxr n TYR 799 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1bxr n THR 800 N -0.48 0.00 -1.99 -3.48 -2.24 -1.26 -5.10 114.28 99.73 1bxr n THR 800 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1bxr n THR 800 Cb 0.23 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1bxr n THR 800 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxr s LEU 801 N -0.30 4.38 0.34 3.22 1.43 -1.26 -4.95 118.68 121.54 1bxr s LEU 801 Ca 0.00 2.75 -0.27 0.00 -1.03 0.00 0.00 54.13 55.58 1bxr s LEU 801 Cb 0.00 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 1bxr s LEU 801 CO 0.00 -0.70 1.11 -0.94 0.23 0.00 0.00 176.35 176.05 1bxr s SER 802 N 0.10 6.93 0.20 2.29 1.04 -1.26 -4.89 113.70 118.11 1bxr s SER 802 Ca 0.56 2.25 -0.11 0.00 0.48 0.00 0.00 55.95 59.14 1bxr s SER 802 Cb -0.42 -2.61 0.24 0.00 0.10 0.00 0.00 66.02 63.32 1bxr s SER 802 CO 0.49 -0.38 1.75 -0.61 0.98 0.00 0.00 173.24 175.46 1bxr h GLN 803 N 3.17 0.39 -0.75 4.02 5.75 -1.99 0.11 115.11 125.82 1bxr h GLN 803 Ca -0.48 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.16 1bxr h GLN 803 Cb 1.22 -0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.57 1bxr h GLN 803 CO 0.65 0.26 0.20 1.49 -2.65 0.00 0.00 178.83 178.77 1bxr h GLU 804 N 0.40 0.28 -0.03 1.69 4.81 -1.99 0.35 114.58 120.09 1bxr h GLU 804 Ca 0.28 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 1bxr h GLU 804 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1bxr h GLU 804 CO -0.28 0.19 -0.78 0.97 -0.73 0.00 0.00 179.01 178.37 1bxr h ILE 805 N 0.29 1.45 -0.61 2.32 -0.00 -1.50 -2.84 117.51 116.61 1bxr h ILE 805 Ca 0.42 -2.38 -0.01 0.00 -0.00 0.00 0.00 64.86 62.90 1bxr h ILE 805 Cb 0.72 2.29 -0.03 0.00 -0.00 0.00 0.00 36.82 39.81 1bxr h ILE 805 CO -0.50 0.70 0.35 1.56 -0.00 0.00 0.00 178.15 180.25 1bxr h GLN 806 N 0.15 0.85 -0.29 2.19 4.20 0.85 -2.30 115.11 120.75 1bxr h GLN 806 Ca -0.03 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.62 1bxr h GLN 806 Cb 1.37 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1bxr h GLN 806 CO 0.12 0.63 0.20 -0.44 -0.67 0.00 0.00 178.83 178.67 1bxr h ASP 807 N 0.83 0.21 -0.21 1.46 3.32 -0.21 0.12 116.42 121.94 1bxr h ASP 807 Ca 0.22 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1bxr h ASP 807 Cb 0.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1bxr h ASP 807 CO -0.04 0.14 -0.00 0.58 -1.72 0.00 0.00 179.24 178.20 1bxr h VAL 808 N 0.24 1.26 -0.66 -1.35 2.07 -1.19 -1.76 116.25 114.85 1bxr h VAL 808 Ca 0.12 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1bxr h VAL 808 Cb 0.19 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1bxr h VAL 808 CO -0.02 0.27 0.19 0.24 0.02 0.00 0.00 177.57 178.27 1bxr h MET 809 N 0.14 1.04 -0.86 1.57 2.86 -0.89 0.14 114.93 118.94 1bxr h MET 809 Ca 0.06 -0.24 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1bxr h MET 809 Cb 0.41 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1bxr h MET 809 CO 0.01 0.92 0.55 0.00 1.06 0.00 0.00 176.91 179.46 1bxr h ARG 810 N 0.98 0.77 -0.07 1.72 3.08 -0.61 0.20 114.38 120.44 1bxr h ARG 810 Ca 0.21 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.98 1bxr h ARG 810 Cb 0.32 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.21 1bxr h ARG 810 CO -0.00 0.51 -0.87 1.96 -1.07 0.00 0.00 179.97 180.50 1bxr h GLN 811 N 0.80 0.72 -0.11 0.04 4.20 -0.35 -2.75 115.11 117.66 1bxr h GLN 811 Ca 0.40 -0.68 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1bxr h GLN 811 Cb 0.47 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1bxr h GLN 811 CO -0.17 1.27 -0.15 0.37 -0.67 0.00 0.00 178.83 179.49 1bxr h GLN 812 N 0.42 0.17 0.00 1.46 4.15 0.11 -1.66 115.11 119.76 1bxr h GLN 812 Ca -0.09 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1bxr h GLN 812 Cb 1.52 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1bxr h GLN 812 CO 0.18 0.32 -0.00 0.28 -1.93 0.00 0.00 178.83 177.68 1bxr h VAL 813 N 0.16 1.13 -0.73 2.39 2.07 -0.52 -1.86 116.25 118.90 1bxr h VAL 813 Ca 0.03 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1bxr h VAL 813 Cb 0.36 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1bxr h VAL 813 CO 0.02 0.10 0.48 -0.61 0.02 0.00 0.00 177.57 177.58 1bxr h GLN 814 N -0.17 0.94 -0.51 1.57 4.15 -1.19 0.15 115.11 120.05 1bxr h GLN 814 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1bxr h GLN 814 Cb 0.17 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1bxr h GLN 814 CO 0.00 0.62 0.33 0.87 -1.93 0.00 0.00 178.83 178.72 1bxr h LYS 815 N 0.96 0.67 -0.28 1.69 6.56 -1.21 -2.76 116.57 122.20 1bxr h LYS 815 Ca 0.28 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.81 1bxr h LYS 815 Cb -0.08 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.42 1bxr h LYS 815 CO -0.07 0.45 0.12 -0.07 -2.06 0.00 0.00 179.45 177.81 1bxr h LEU 816 N 0.69 0.39 0.00 2.94 3.38 -0.76 -0.24 115.31 121.71 1bxr h LEU 816 Ca 0.19 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1bxr h LEU 816 Cb -0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1bxr h LEU 816 CO -0.04 0.44 -0.51 0.00 0.09 0.00 0.00 178.44 178.42 1bxr h ALA 817 N 0.96 -0.93 -0.29 1.53 0.00 -0.47 0.73 119.26 120.79 1bxr h ALA 817 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bxr h ALA 817 Cb 0.17 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bxr h ALA 817 CO -0.01 -1.09 0.16 0.74 0.00 0.00 0.00 179.25 179.06 1bxr h PHE 818 N -0.65 0.38 -0.34 0.00 0.04 -1.54 0.40 116.94 115.24 1bxr h PHE 818 Ca 0.01 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1bxr h PHE 818 Cb 0.69 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1bxr h PHE 818 CO -0.51 0.31 0.08 1.49 -0.60 0.00 0.00 178.31 179.08 1bxr h GLU 819 N 0.35 0.50 0.00 1.51 4.57 -0.61 -2.22 114.58 118.68 1bxr h GLU 819 Ca 0.10 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1bxr h GLU 819 Cb 0.04 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1bxr h GLU 819 CO -0.02 0.46 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.01 1bxr h LEU 820 N 0.49 0.00 -1.49 1.64 3.38 0.93 -3.47 115.31 116.80 1bxr h LEU 820 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bxr h LEU 820 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1bxr h LEU 820 CO -0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1bxr n GLN 821 N -2.83 0.00 -2.45 1.13 3.00 0.07 -4.73 117.38 111.57 1bxr n GLN 821 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 1bxr n GLN 821 Cb 0.51 -2.32 -0.04 0.00 0.00 0.00 0.00 30.24 28.39 1bxr n GLN 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1bxr s VAL 822 N -2.89 3.80 -0.27 5.09 1.01 0.12 -4.63 120.40 122.63 1bxr s VAL 822 Ca 0.00 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 1bxr s VAL 822 Cb 0.00 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1bxr s VAL 822 CO 0.00 0.22 0.06 -0.13 0.00 0.00 0.00 175.10 175.26 1bxr s ARG 823 N -0.07 0.82 0.00 2.72 1.81 -1.25 -4.15 118.95 118.82 1bxr s ARG 823 Ca 0.52 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1bxr s ARG 823 Cb -0.30 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 1bxr s ARG 823 CO 0.35 -0.85 0.00 0.41 -0.68 0.00 0.00 175.30 174.53 1bxr n GLY 824 N 4.87 0.32 3.87 -3.53 0.00 -0.86 -0.21 105.19 109.65 1bxr n GLY 824 Ca -0.05 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1bxr n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 825 N 0.00 3.66 0.15 0.99 1.43 -1.26 -2.15 118.68 121.49 1bxr s LEU 825 Ca 0.00 1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 54.16 1bxr s LEU 825 Cb 0.00 -4.20 0.06 0.00 0.03 0.00 0.00 46.19 42.08 1bxr s LEU 825 CO 0.00 -0.54 0.53 0.00 0.23 0.00 0.00 176.35 176.56 1bxr s MET 826 N -4.22 1.21 -0.02 1.70 0.23 -0.34 -2.59 119.30 115.26 1bxr s MET 826 Ca 0.53 -0.56 0.01 0.00 -1.03 0.00 0.00 55.69 54.65 1bxr s MET 826 Cb -0.10 0.55 0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1bxr s MET 826 CO 0.36 -0.51 -0.03 1.21 -2.03 0.00 0.00 175.02 174.02 1bxr s ASN 827 N -2.77 0.58 -0.04 -1.18 3.84 0.93 -2.15 114.94 114.15 1bxr s ASN 827 Ca 0.02 -0.07 0.04 0.00 0.21 0.00 0.00 52.86 53.06 1bxr s ASN 827 Cb 0.00 -0.20 -0.00 0.00 -0.55 0.00 0.00 41.25 40.50 1bxr s ASN 827 CO -0.13 -0.02 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.31 1bxr s VAL 828 N 0.48 1.38 -0.18 -5.21 1.01 0.12 0.11 120.40 118.11 1bxr s VAL 828 Ca -0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1bxr s VAL 828 Cb -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1bxr s VAL 828 CO -0.01 0.40 -0.15 -1.10 0.00 0.00 0.00 175.10 174.25 1bxr s GLN 829 N 0.01 3.17 0.22 2.72 -0.21 0.12 -0.20 119.66 125.49 1bxr s GLN 829 Ca -0.03 -0.75 0.09 0.00 0.02 0.00 0.00 55.36 54.69 1bxr s GLN 829 Cb -0.11 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1bxr s GLN 829 CO 0.02 -0.10 -0.16 -0.06 -2.12 0.00 0.00 175.29 172.86 1bxr s PHE 830 N 1.11 1.89 -0.01 0.91 0.08 -0.28 0.13 117.98 121.81 1bxr s PHE 830 Ca 0.00 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.63 1bxr s PHE 830 Cb -0.14 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1bxr s PHE 830 CO -0.05 0.46 -0.24 0.00 -0.10 0.00 0.00 175.22 175.29 1bxr s ALA 831 N -2.74 1.97 -0.35 5.36 0.00 -0.63 0.13 121.76 125.49 1bxr s ALA 831 Ca 0.24 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1bxr s ALA 831 Cb -0.02 -0.49 0.11 0.00 0.00 0.00 0.00 23.12 22.71 1bxr s ALA 831 CO 0.09 0.48 0.10 0.08 0.00 0.00 0.00 175.76 176.51 1bxr s VAL 832 N -0.57 1.74 -0.14 0.00 1.01 0.13 0.23 120.40 122.79 1bxr s VAL 832 Ca 0.09 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 59.93 1bxr s VAL 832 Cb -0.09 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1bxr s VAL 832 CO -0.01 -0.67 -0.03 -0.75 0.00 0.00 0.00 175.10 173.64 1bxr s LYS 833 N 1.01 3.51 -0.77 2.72 2.20 -0.22 -3.00 119.74 125.20 1bxr s LYS 833 Ca 0.12 -0.50 -0.17 0.00 -0.36 0.00 0.00 55.97 55.05 1bxr s LYS 833 Cb -0.19 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1bxr s LYS 833 CO -0.13 0.34 0.46 0.09 -0.36 0.00 0.00 175.35 175.75 1bxr n ASN 834 N 3.23 -3.01 -1.70 1.43 4.13 -1.26 0.69 115.26 118.76 1bxr n ASN 834 Ca -0.18 -0.85 -0.17 0.00 1.68 0.00 0.00 54.58 55.07 1bxr n ASN 834 Cb 0.53 -1.11 -0.06 0.00 -1.54 0.00 0.00 39.78 37.60 1bxr n ASN 834 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bxr n ASN 835 N -1.36 -4.57 -4.27 6.41 2.85 -1.26 -4.95 115.26 108.11 1bxr n ASN 835 Ca -0.13 0.34 -0.29 0.00 -0.11 0.00 0.00 54.58 54.39 1bxr n ASN 835 Cb 0.42 -4.06 -0.16 0.00 1.24 0.00 0.00 39.78 37.23 1bxr n ASN 835 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1bxr s GLU 836 N -3.80 1.92 -0.25 1.20 2.02 0.22 -5.09 118.70 114.92 1bxr s GLU 836 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 1bxr s GLU 836 Cb 0.00 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 1bxr s GLU 836 CO 0.00 0.51 0.21 0.08 0.02 0.00 0.00 175.26 176.07 1bxr s VAL 837 N -0.55 5.32 0.09 2.63 1.01 -1.26 -1.05 120.40 126.58 1bxr s VAL 837 Ca 0.09 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1bxr s VAL 837 Cb -0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1bxr s VAL 837 CO -0.01 0.29 -0.02 -0.31 0.00 0.00 0.00 175.10 175.06 1bxr s TYR 838 N 1.37 2.95 -0.25 5.22 1.51 0.13 -4.60 117.35 123.68 1bxr s TYR 838 Ca 0.09 -0.04 -0.13 0.00 -1.01 0.00 0.00 57.07 55.98 1bxr s TYR 838 Cb -0.15 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1bxr s TYR 838 CO 0.07 0.47 0.25 -1.17 -1.11 0.00 0.00 175.55 174.06 1bxr s LEU 839 N -2.23 4.08 -0.22 -1.29 2.96 0.44 -1.60 118.68 120.82 1bxr s LEU 839 Ca 0.25 0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.19 1bxr s LEU 839 Cb -0.12 -2.25 -0.11 0.00 0.50 0.00 0.00 46.19 44.21 1bxr s LEU 839 CO 0.17 -0.04 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.61 1bxr n ILE 840 N 4.64 1.51 -3.62 6.68 5.41 0.12 -4.49 119.36 129.61 1bxr n ILE 840 Ca -0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 62.75 63.52 1bxr n ILE 840 Cb 0.52 -2.10 -0.01 0.00 -0.71 0.00 0.00 39.64 37.34 1bxr n ILE 840 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bxr s GLU 841 N -2.51 0.50 -0.02 0.38 -1.05 -0.93 -5.00 118.70 110.08 1bxr s GLU 841 Ca -0.31 -0.25 0.05 0.00 -0.15 0.00 0.00 54.97 54.31 1bxr s GLU 841 Cb 0.08 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1bxr s GLU 841 CO 0.46 -0.23 -0.16 0.08 0.95 0.00 0.00 175.26 176.37 1bxr s VAL 842 N -2.57 1.30 -0.28 1.83 1.01 -1.26 0.15 120.40 120.58 1bxr s VAL 842 Ca 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1bxr s VAL 842 Cb 0.02 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.36 1bxr s VAL 842 CO -0.04 0.37 -0.06 0.20 0.00 0.00 0.00 175.10 175.57 1bxr s ASN 843 N -0.26 4.64 0.00 3.32 0.01 0.29 -4.71 114.94 118.22 1bxr s ASN 843 Ca 0.04 -1.35 -0.02 0.00 -0.71 0.00 0.00 52.86 50.82 1bxr s ASN 843 Cb -0.08 -1.62 -0.08 0.00 0.41 0.00 0.00 41.25 39.88 1bxr s ASN 843 CO 0.00 -0.22 1.49 -0.81 -1.51 0.00 0.00 177.10 176.05 1bxr n PRO 844 N 4.51 0.66 -3.38 -0.60 -0.04 -1.26 -0.05 135.00 134.84 1bxr n PRO 844 Ca -0.14 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 62.99 1bxr n PRO 844 Cb 0.43 -1.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1bxr n PRO 844 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bxr n ARG 845 N 2.70 0.55 -2.04 0.54 1.85 -1.07 -4.84 116.66 114.35 1bxr n ARG 845 Ca 0.13 -1.23 -0.42 0.00 -1.00 0.00 0.00 57.85 55.34 1bxr n ARG 845 Cb 0.30 1.65 -0.03 0.00 -1.05 0.00 0.00 32.46 33.34 1bxr n ARG 845 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxr s ALA 846 N -1.84 3.69 0.42 2.89 0.00 -0.92 -3.36 121.76 122.65 1bxr s ALA 846 Ca 0.18 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.48 1bxr s ALA 846 Cb -0.02 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1bxr s ALA 846 CO 0.05 -0.71 0.50 0.00 0.00 0.00 0.00 175.76 175.60 1bxr s ALA 847 N 1.07 4.36 -0.39 0.00 0.00 -1.26 -4.88 121.76 120.66 1bxr s ALA 847 Ca 0.67 -1.74 0.24 0.00 0.00 0.00 0.00 51.96 51.13 1bxr s ALA 847 Cb -0.41 -1.42 1.05 0.00 0.00 0.00 0.00 23.12 22.35 1bxr s ALA 847 CO 0.31 -0.26 1.73 0.07 0.00 0.00 0.00 175.76 177.62 1bxr h ARG 848 N 0.78 0.00 -0.00 0.00 0.11 -1.94 -2.63 114.38 110.69 1bxr h ARG 848 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1bxr h ARG 848 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1bxr h ARG 848 CO 0.49 0.00 -0.31 0.25 0.10 0.00 0.00 179.97 180.51 1bxr n THR 849 N -2.31 0.00 -0.05 0.08 -2.24 -1.26 -4.37 114.28 104.13 1bxr n THR 849 Ca 0.01 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 1bxr n THR 849 Cb 0.20 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1bxr n THR 849 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bxr h VAL 850 N 0.57 0.77 -0.76 2.28 2.07 -1.86 0.57 116.25 119.89 1bxr h VAL 850 Ca 0.00 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1bxr h VAL 850 Cb 0.48 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1bxr h VAL 850 CO 0.00 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.44 1bxr h PRO 851 N 0.01 0.95 0.09 1.57 0.11 -1.82 -0.58 132.00 132.32 1bxr h PRO 851 Ca 0.11 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1bxr h PRO 851 Cb 0.17 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1bxr h PRO 851 CO -0.23 0.63 -0.04 0.35 -0.21 0.00 0.00 178.00 178.49 1bxr h PHE 852 N 0.97 -0.11 -0.85 0.65 3.57 -1.68 -1.75 116.94 117.75 1bxr h PHE 852 Ca 0.29 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.88 1bxr h PHE 852 Cb -0.02 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1bxr h PHE 852 CO -0.00 0.20 0.55 0.28 -2.23 0.00 0.00 178.31 177.11 1bxr h VAL 853 N -0.42 0.98 -0.29 1.41 2.07 -0.43 -1.09 116.25 118.48 1bxr h VAL 853 Ca -0.01 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1bxr h VAL 853 Cb 0.36 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1bxr h VAL 853 CO 0.02 0.15 -0.13 0.28 0.02 0.00 0.00 177.57 177.91 1bxr h SER 854 N 0.85 0.62 -0.35 0.57 0.02 -0.99 -0.47 113.55 113.81 1bxr h SER 854 Ca 0.39 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1bxr h SER 854 Cb 0.38 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1bxr h SER 854 CO -0.16 0.89 -0.03 0.11 -1.14 0.00 0.00 176.83 176.51 1bxr h LYS 855 N 0.36 0.74 0.07 3.45 6.56 -0.76 0.29 116.57 127.28 1bxr h LYS 855 Ca 0.07 -0.20 -0.23 0.00 -1.06 0.00 0.00 60.65 59.22 1bxr h LYS 855 Cb 0.65 -0.08 0.02 0.00 -0.57 0.00 0.00 32.23 32.25 1bxr h LYS 855 CO 0.04 0.77 -0.96 0.00 -2.06 0.00 0.00 179.45 177.24 1bxr h ALA 856 N 1.28 0.02 0.00 3.86 0.00 -1.07 -3.34 119.26 120.02 1bxr h ALA 856 Ca 0.13 -0.69 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 1bxr h ALA 856 Cb 0.46 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bxr h ALA 856 CO 0.02 0.54 -1.02 1.79 0.00 0.00 0.00 179.25 180.58 1bxr h THR 857 N 0.08 0.69 0.00 0.00 1.35 -1.10 -3.45 112.91 110.48 1bxr h THR 857 Ca -0.14 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1bxr h THR 857 Cb 1.67 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1bxr h THR 857 CO 0.19 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1bxr n GLY 858 N 1.32 0.71 3.70 5.82 0.00 0.10 -4.95 105.19 111.89 1bxr n GLY 858 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1bxr n GLY 858 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 859 N -2.83 5.01 -1.26 1.61 1.01 -1.19 -5.00 120.40 117.75 1bxr s VAL 859 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1bxr s VAL 859 Cb 0.00 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 33.30 1bxr s VAL 859 CO 0.00 0.49 1.71 -0.81 0.00 0.00 0.00 175.10 176.49 1bxr n PRO 860 N 3.17 3.47 -0.34 2.72 -0.04 -1.26 -4.13 135.00 138.58 1bxr n PRO 860 Ca -0.17 -3.61 0.22 0.00 -0.04 0.00 0.00 63.50 59.90 1bxr n PRO 860 Cb 0.53 -3.01 0.45 0.00 -0.04 0.00 0.00 33.50 31.43 1bxr n PRO 860 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxr h LEU 861 N 8.92 0.56 -1.18 1.53 3.38 -1.93 0.22 115.31 126.80 1bxr h LEU 861 Ca 0.37 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.43 1bxr h LEU 861 Cb 0.74 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1bxr h LEU 861 CO 1.47 -0.02 -0.34 0.00 0.09 0.00 0.00 178.44 179.64 1bxr h ALA 862 N 1.77 1.14 0.34 1.53 0.00 -1.93 0.42 119.26 122.53 1bxr h ALA 862 Ca 0.69 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1bxr h ALA 862 Cb 1.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bxr h ALA 862 CO -0.51 0.43 -0.16 0.87 0.00 0.00 0.00 179.25 179.87 1bxr h LYS 863 N 0.00 -0.44 -0.11 0.00 1.57 -0.87 -2.07 116.57 114.64 1bxr h LYS 863 Ca -0.00 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1bxr h LYS 863 Cb 0.75 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1bxr h LYS 863 CO 0.04 -0.16 -0.44 0.28 -0.57 0.00 0.00 179.45 178.61 1bxr h VAL 864 N -1.01 0.12 -0.02 0.50 2.07 -1.19 0.62 116.25 117.32 1bxr h VAL 864 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1bxr h VAL 864 Cb 0.49 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1bxr h VAL 864 CO 0.08 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.69 1bxr h ALA 865 N 0.02 1.67 -0.16 1.67 0.00 -0.26 0.55 119.26 122.76 1bxr h ALA 865 Ca 0.07 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1bxr h ALA 865 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1bxr h ALA 865 CO -0.40 -0.03 -0.76 0.00 0.00 0.00 0.00 179.25 178.06 1bxr h ALA 866 N 1.98 0.30 -0.56 0.00 0.00 -0.27 -1.59 119.26 119.12 1bxr h ALA 866 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1bxr h ALA 866 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1bxr h ALA 866 CO -0.00 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.16 1bxr h ARG 867 N 0.53 0.82 -0.17 0.00 3.08 0.81 -1.52 114.38 117.93 1bxr h ARG 867 Ca -0.05 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.91 1bxr h ARG 867 Cb 1.40 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 1bxr h ARG 867 CO 0.16 0.69 -0.15 0.28 -1.07 0.00 0.00 179.97 179.87 1bxr h VAL 868 N 0.76 0.58 -0.55 2.04 2.07 -0.93 -0.43 116.25 119.78 1bxr h VAL 868 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1bxr h VAL 868 Cb 0.16 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1bxr h VAL 868 CO -0.02 0.00 0.38 0.24 0.02 0.00 0.00 177.57 178.19 1bxr h MET 869 N -0.17 0.26 0.00 1.57 2.86 -0.45 -1.40 114.93 117.60 1bxr h MET 869 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1bxr h MET 869 Cb 0.33 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1bxr h MET 869 CO -0.27 0.17 -0.02 0.00 1.06 0.00 0.00 176.91 177.85 1bxr n ALA 870 N -2.55 2.34 0.00 6.32 0.00 -0.26 -4.23 120.51 122.13 1bxr n ALA 870 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1bxr n ALA 870 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1bxr n ALA 870 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 871 N 1.41 1.03 3.05 0.00 0.00 -0.53 -5.08 105.19 105.07 1bxr n GLY 871 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1bxr n GLY 871 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bxr s LYS 872 N 0.00 2.42 0.71 1.61 2.20 -0.84 -5.00 119.74 120.84 1bxr s LYS 872 Ca 0.00 -2.61 -0.17 0.00 -0.36 0.00 0.00 55.97 52.83 1bxr s LYS 872 Cb 0.00 -3.61 -0.15 0.00 -1.51 0.00 0.00 37.83 32.56 1bxr s LYS 872 CO 0.00 -1.16 -0.42 -1.13 -0.36 0.00 0.00 175.35 172.28 1bxr n SER 873 N 3.29 -4.62 -0.05 1.43 3.41 -1.26 -3.88 113.62 111.94 1bxr n SER 873 Ca 0.08 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1bxr n SER 873 Cb 0.36 -0.79 0.45 0.00 -0.26 0.00 0.00 64.21 63.97 1bxr n SER 873 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bxr h LEU 874 N -0.44 0.45 0.60 1.04 3.38 -1.94 0.22 115.31 118.61 1bxr h LEU 874 Ca -0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1bxr h LEU 874 Cb 1.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1bxr h LEU 874 CO 0.33 0.30 -0.36 0.00 0.09 0.00 0.00 178.44 178.80 1bxr h ALA 875 N 1.71 -0.92 -0.87 1.53 0.00 -1.87 1.38 119.26 120.22 1bxr h ALA 875 Ca 0.21 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1bxr h ALA 875 Cb 0.20 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1bxr h ALA 875 CO -0.06 -1.03 0.56 0.93 0.00 0.00 0.00 179.25 179.65 1bxr h GLU 876 N -0.91 0.69 -0.15 0.00 5.08 -1.60 -0.32 114.58 117.37 1bxr h GLU 876 Ca -0.07 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 1bxr h GLU 876 Cb 0.73 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1bxr h GLU 876 CO 0.08 0.45 -0.67 1.96 -1.00 0.00 0.00 179.01 179.83 1bxr h GLN 877 N 0.71 0.71 -0.07 2.33 4.20 -0.01 -3.48 115.11 119.50 1bxr h GLN 877 Ca 0.43 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1bxr h GLN 877 Cb 0.65 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1bxr h GLN 877 CO -0.19 1.19 0.00 0.41 -0.67 0.00 0.00 178.83 179.57 1bxr n GLY 878 N 0.68 1.26 2.81 3.46 0.00 0.46 -5.02 105.19 108.85 1bxr n GLY 878 Ca -0.07 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1bxr n GLY 878 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 879 N -2.07 2.18 -0.02 1.61 1.01 -0.66 -4.88 120.40 117.57 1bxr s VAL 879 Ca 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 61.98 58.57 1bxr s VAL 879 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1bxr s VAL 879 CO 0.00 -0.95 0.04 0.35 0.00 0.00 0.00 175.10 174.54 1bxr n THR 880 N 2.74 0.11 -4.04 3.92 -2.24 -1.26 -4.64 114.28 108.87 1bxr n THR 880 Ca 0.14 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 1bxr n THR 880 Cb 0.35 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1bxr n THR 880 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bxr s LYS 881 N -2.14 3.48 0.26 -0.78 -0.14 -1.26 -4.81 119.74 114.35 1bxr s LYS 881 Ca -0.01 -0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 1bxr s LYS 881 Cb 0.01 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 32.96 1bxr s LYS 881 CO 0.13 0.61 1.48 -2.00 -0.76 0.00 0.00 175.35 174.81 1bxr s GLU 882 N -0.58 4.23 -0.19 1.68 2.12 -1.26 -4.92 118.70 119.77 1bxr s GLU 882 Ca 0.11 2.38 -0.08 0.00 0.36 0.00 0.00 54.97 57.74 1bxr s GLU 882 Cb -0.12 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1bxr s GLU 882 CO 0.02 -0.47 0.08 0.08 -0.54 0.00 0.00 175.26 174.43 1bxr s VAL 883 N -0.05 4.94 -0.24 3.70 1.01 -1.26 -5.04 120.40 123.46 1bxr s VAL 883 Ca 0.60 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1bxr s VAL 883 Cb -0.43 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1bxr s VAL 883 CO 0.45 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 175.24 1bxr s ILE 884 N 0.46 2.24 0.66 2.22 -1.09 -1.26 -4.96 121.20 119.46 1bxr s ILE 884 Ca 0.04 -1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 56.94 1bxr s ILE 884 Cb -0.12 -2.20 -0.00 0.00 -1.58 0.00 0.00 42.46 38.55 1bxr s ILE 884 CO 0.00 0.14 1.08 -2.84 -1.23 0.00 0.00 174.94 172.09 1bxr s PRO 885 N 1.18 2.93 0.26 2.79 0.02 -1.26 -4.93 135.00 135.98 1bxr s PRO 885 Ca -0.04 1.20 0.26 0.00 0.02 0.00 0.00 61.00 62.43 1bxr s PRO 885 Cb -0.18 -1.98 0.73 0.00 0.02 0.00 0.00 34.50 33.10 1bxr s PRO 885 CO -0.07 -1.13 1.75 -1.00 -0.33 0.00 0.00 177.00 176.22 1bxr h PRO 886 N -0.16 0.00 -5.73 5.54 0.13 -1.94 -3.46 132.00 126.38 1bxr h PRO 886 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1bxr h PRO 886 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1bxr h PRO 886 CO 0.55 0.00 -0.53 1.52 -0.23 0.00 0.00 178.00 179.31 1bxr s TYR 887 N -3.13 2.46 -0.19 1.56 -0.85 -1.26 -5.00 117.35 110.93 1bxr s TYR 887 Ca 0.10 -0.67 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 1bxr s TYR 887 Cb 0.11 -1.85 -0.05 0.00 0.38 0.00 0.00 41.96 40.55 1bxr s TYR 887 CO 0.60 0.28 0.12 0.71 -1.52 0.00 0.00 175.55 175.74 1bxr s TYR 888 N -2.68 3.41 -0.13 -3.49 2.02 0.43 -4.49 117.35 112.42 1bxr s TYR 888 Ca 0.35 0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.39 1bxr s TYR 888 Cb 0.06 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1bxr s TYR 888 CO 0.19 0.32 -0.21 -1.12 -1.57 0.00 0.00 175.55 173.15 1bxr s SER 889 N 0.22 3.00 -0.06 2.29 0.01 0.12 -0.09 113.70 119.19 1bxr s SER 889 Ca 0.08 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1bxr s SER 889 Cb -0.11 -1.38 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 1bxr s SER 889 CO -0.01 0.08 -0.24 -0.69 0.41 0.00 0.00 173.24 172.79 1bxr s VAL 890 N 0.77 2.18 -0.13 3.43 1.01 0.12 -1.25 120.40 126.53 1bxr s VAL 890 Ca -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1bxr s VAL 890 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1bxr s VAL 890 CO -0.00 0.57 -0.07 -0.75 0.00 0.00 0.00 175.10 174.85 1bxr s LYS 891 N -0.17 3.39 0.19 2.72 2.20 -0.40 0.46 119.74 128.13 1bxr s LYS 891 Ca -0.03 -0.57 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 1bxr s LYS 891 Cb -0.14 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1bxr s LYS 891 CO 0.04 0.33 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.22 1bxr s GLU 892 N 0.11 1.27 0.47 4.03 2.56 -1.03 -0.26 118.70 125.84 1bxr s GLU 892 Ca -0.03 -1.56 0.06 0.00 0.00 0.00 0.00 54.97 53.45 1bxr s GLU 892 Cb -0.14 -1.00 -0.00 0.00 2.00 0.00 0.00 34.13 34.99 1bxr s GLU 892 CO 0.03 0.16 0.31 0.14 -0.56 0.00 0.00 175.26 175.34 1bxr s VAL 893 N -3.06 2.05 -0.08 3.70 -7.23 -1.26 -1.96 120.40 112.57 1bxr s VAL 893 Ca 0.21 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1bxr s VAL 893 Cb 0.00 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1bxr s VAL 893 CO 0.05 0.00 -0.11 0.68 -0.31 0.00 0.00 175.10 175.42 1bxr s VAL 894 N -2.66 1.08 0.05 1.32 -7.23 -0.69 -4.88 120.40 107.40 1bxr s VAL 894 Ca 0.38 -0.42 0.06 0.00 -1.81 0.00 0.00 61.98 60.19 1bxr s VAL 894 Cb -0.00 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1bxr s VAL 894 CO 0.22 0.35 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.49 1bxr s LEU 895 N 0.92 2.96 -0.03 1.32 1.43 -1.26 -0.96 118.68 123.06 1bxr s LEU 895 Ca -0.10 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1bxr s LEU 895 Cb -0.15 -1.74 0.30 0.00 0.03 0.00 0.00 46.19 44.63 1bxr s LEU 895 CO 0.01 0.23 1.17 -0.81 0.23 0.00 0.00 176.35 177.18 1bxr n PRO 896 N 1.22 2.00 -0.31 1.29 -0.04 -1.26 -4.55 135.00 133.36 1bxr n PRO 896 Ca -0.15 -1.18 0.23 0.00 -0.04 0.00 0.00 63.50 62.35 1bxr n PRO 896 Cb 0.52 -1.42 0.52 0.00 -0.04 0.00 0.00 33.50 33.09 1bxr n PRO 896 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bxr h PHE 897 N 1.78 0.60 0.00 0.54 0.04 -1.93 0.17 116.94 118.14 1bxr h PHE 897 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bxr h PHE 897 Cb 0.63 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1bxr h PHE 897 CO 0.29 0.08 0.00 -2.95 -0.60 0.00 0.00 178.31 175.12 1bxr h ASN 898 N 0.38 0.00 1.35 2.17 -1.07 -1.97 -0.63 115.58 115.80 1bxr h ASN 898 Ca 0.57 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.85 1bxr h ASN 898 Cb 1.48 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.71 1bxr h ASN 898 CO -0.25 0.00 -0.67 0.11 0.07 0.00 0.00 177.43 176.68 1bxr h LYS 899 N 0.00 0.00 -2.54 4.14 1.79 -1.01 -3.39 116.57 115.56 1bxr h LYS 899 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1bxr h LYS 899 Cb 0.28 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.53 1bxr h LYS 899 CO 0.00 0.31 -0.82 1.19 -1.08 0.00 0.00 179.45 179.06 1bxr n PHE 900 N -3.07 1.02 -0.34 -1.35 3.72 -0.25 -4.96 117.46 112.24 1bxr n PHE 900 Ca -0.00 -3.77 0.20 0.00 -0.05 0.00 0.00 57.45 53.83 1bxr n PHE 900 Cb 0.70 -0.20 0.43 0.00 -0.94 0.00 0.00 39.48 39.48 1bxr n PHE 900 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1bxr h PRO 901 N 5.19 0.50 0.00 -1.08 0.11 -1.75 0.04 132.00 135.01 1bxr h PRO 901 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1bxr h PRO 901 Cb 0.83 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1bxr h PRO 901 CO 0.55 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1bxr n GLY 902 N -1.38 -0.48 3.89 -0.55 0.00 -1.26 -4.72 105.19 100.69 1bxr n GLY 902 Ca 0.26 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1bxr n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 903 N -2.41 5.25 -0.43 1.61 1.01 -0.00 -4.52 120.40 120.92 1bxr s VAL 903 Ca 0.09 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1bxr s VAL 903 Cb 0.06 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1bxr s VAL 903 CO 0.12 0.20 0.90 -0.62 0.00 0.00 0.00 175.10 175.69 1bxr s ASP 904 N -2.13 6.54 0.00 3.32 2.15 -1.26 -4.90 116.67 120.39 1bxr s ASP 904 Ca 0.34 0.24 -0.02 0.00 0.43 0.00 0.00 52.55 53.54 1bxr s ASP 904 Cb -0.13 -2.44 -0.11 0.00 -0.30 0.00 0.00 42.92 39.94 1bxr s ASP 904 CO 0.22 -0.96 2.09 -0.81 -0.17 0.00 0.00 175.17 175.54 1bxr n PRO 905 N 6.95 1.07 -3.72 4.34 -0.05 -1.26 -4.84 135.00 137.50 1bxr n PRO 905 Ca 0.06 -0.41 -0.25 0.00 -0.05 0.00 0.00 63.50 62.85 1bxr n PRO 905 Cb 0.48 -1.57 -0.03 0.00 -0.05 0.00 0.00 33.50 32.33 1bxr n PRO 905 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 1bxr s LEU 906 N 0.00 4.22 0.04 1.53 2.96 -1.26 -5.02 118.68 121.14 1bxr s LEU 906 Ca 0.27 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1bxr s LEU 906 Cb 0.13 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 1bxr s LEU 906 CO 0.00 -0.09 0.15 -0.76 -1.32 0.00 0.00 176.35 174.33 1bxr s LEU 907 N -3.63 4.16 0.00 -0.68 1.43 -1.26 -5.10 118.68 113.59 1bxr s LEU 907 Ca 0.37 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1bxr s LEU 907 Cb -0.10 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1bxr s LEU 907 CO 0.30 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.70 1bxr n GLY 908 N 0.63 2.48 0.27 -3.19 0.00 -1.26 -4.94 105.19 99.17 1bxr n GLY 908 Ca -0.09 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1bxr n GLY 908 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bxr h PRO 909 N 0.00 0.00 -5.67 1.61 0.13 -1.70 0.33 132.00 126.70 1bxr h PRO 909 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1bxr h PRO 909 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1bxr h PRO 909 CO 0.00 0.10 -0.55 -2.00 -0.23 0.00 0.00 178.00 175.32 1bxr s GLU 910 N -4.19 3.41 0.23 0.86 2.12 -1.26 -4.20 118.70 115.68 1bxr s GLU 910 Ca -0.03 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1bxr s GLU 910 Cb 0.13 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 1bxr s GLU 910 CO 0.57 0.62 1.00 1.41 -0.54 0.00 0.00 175.26 178.33 1bxr s MET 911 N -0.61 4.76 0.00 4.30 -2.45 -0.83 -4.73 119.30 119.73 1bxr s MET 911 Ca 0.11 1.60 0.00 0.00 -1.25 0.00 0.00 55.69 56.15 1bxr s MET 911 Cb -0.12 -3.27 0.00 0.00 1.25 0.00 0.00 34.83 32.70 1bxr s MET 911 CO 0.02 0.36 0.00 0.54 1.05 0.00 0.00 175.02 176.99 1bxr n ARG 912 N 1.64 3.16 -1.44 4.11 3.00 -1.26 -4.88 116.66 120.99 1bxr n ARG 912 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1bxr n ARG 912 Cb 0.47 -0.29 0.09 0.00 0.00 0.00 0.00 32.46 32.72 1bxr n ARG 912 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bxr s SER 913 N -0.51 4.31 -0.16 0.55 1.04 -1.26 -4.36 113.70 113.31 1bxr s SER 913 Ca 0.00 2.24 0.11 0.00 0.48 0.00 0.00 55.95 58.77 1bxr s SER 913 Cb 0.00 -2.58 -0.17 0.00 0.10 0.00 0.00 66.02 63.37 1bxr s SER 913 CO 0.00 -2.18 -0.00 0.35 0.98 0.00 0.00 173.24 172.39 1bxr n THR 914 N -2.81 1.05 -3.42 2.02 -2.24 -0.14 -4.48 114.28 104.28 1bxr n THR 914 Ca 0.12 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1bxr n THR 914 Cb 0.51 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1bxr n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 915 N 2.19 3.47 3.43 3.38 0.00 -0.88 -4.64 105.19 112.14 1bxr n GLY 915 Ca -0.27 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1bxr n GLY 915 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bxr s GLU 916 N -1.40 1.26 0.16 1.61 -1.05 -1.26 -1.70 118.70 116.32 1bxr s GLU 916 Ca 0.00 -0.67 0.06 0.00 -0.15 0.00 0.00 54.97 54.21 1bxr s GLU 916 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1bxr s GLU 916 CO 0.00 -0.53 -0.13 0.14 0.95 0.00 0.00 175.26 175.69 1bxr s VAL 917 N -3.81 1.46 -0.04 1.83 -7.23 -0.83 -4.32 120.40 107.47 1bxr s VAL 917 Ca 0.04 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1bxr s VAL 917 Cb -0.00 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 1bxr s VAL 917 CO -0.09 -0.58 -0.16 -0.32 -0.31 0.00 0.00 175.10 173.63 1bxr s MET 918 N -3.38 1.69 -0.09 4.82 0.00 -0.42 -2.48 119.30 119.45 1bxr s MET 918 Ca 0.17 -0.57 0.03 0.00 0.00 0.00 0.00 55.69 55.31 1bxr s MET 918 Cb -0.01 -1.48 -0.02 0.00 0.00 0.00 0.00 34.83 33.33 1bxr s MET 918 CO 0.04 0.23 -0.18 0.20 0.00 0.00 0.00 175.02 175.31 1bxr s GLY 919 N 0.06 1.45 -0.18 2.11 0.00 0.17 -4.61 107.32 106.32 1bxr s GLY 919 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1bxr s GLY 919 CO 0.02 -0.48 -0.09 0.14 0.00 0.00 0.00 173.10 172.69 1bxr s VAL 920 N -0.08 3.20 0.06 1.40 1.01 -1.26 0.15 120.40 124.88 1bxr s VAL 920 Ca -0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1bxr s VAL 920 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1bxr s VAL 920 CO 0.04 0.47 0.06 -0.83 0.00 0.00 0.00 175.10 174.84 1bxr s GLY 921 N 0.96 0.30 0.29 4.51 0.00 0.87 -4.45 107.32 109.80 1bxr s GLY 921 Ca -0.01 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 43.91 1bxr s GLY 921 CO -0.00 -1.04 1.66 3.21 0.00 0.00 0.00 173.10 176.92 1bxr h ARG 922 N 3.15 0.00 -5.19 2.90 3.08 -1.92 0.12 114.38 116.53 1bxr h ARG 922 Ca -0.34 -0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.33 1bxr h ARG 922 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.07 1bxr h ARG 922 CO 0.60 0.57 -0.69 0.95 -1.07 0.00 0.00 179.97 180.33 1bxr s THR 923 N -3.74 1.24 0.20 2.04 -4.23 -1.26 -4.70 115.64 105.20 1bxr s THR 923 Ca -0.02 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.33 1bxr s THR 923 Cb 0.13 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.94 1bxr s THR 923 CO 0.75 -0.49 1.76 0.15 -0.54 0.00 0.00 174.62 176.25 1bxr h PHE 924 N 2.55 1.16 -0.96 3.99 3.57 -1.93 0.29 116.94 125.61 1bxr h PHE 924 Ca -0.38 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.07 1bxr h PHE 924 Cb 1.21 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1bxr h PHE 924 CO 0.63 0.90 0.62 0.00 -2.23 0.00 0.00 178.31 178.23 1bxr h ALA 925 N 1.14 1.29 -0.04 2.41 0.00 -1.94 1.24 119.26 123.35 1bxr h ALA 925 Ca 0.25 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 925 Cb 0.25 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bxr h ALA 925 CO -0.02 0.46 -0.95 1.49 0.00 0.00 0.00 179.25 180.23 1bxr h GLU 926 N 1.17 0.66 0.34 0.00 4.81 -1.75 -0.66 114.58 119.15 1bxr h GLU 926 Ca 0.39 -0.66 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1bxr h GLU 926 Cb 0.07 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1bxr h GLU 926 CO -0.14 1.26 -0.17 0.00 -0.73 0.00 0.00 179.01 179.22 1bxr h ALA 927 N 0.53 -0.47 -0.99 2.92 0.00 0.33 -1.91 119.26 119.66 1bxr h ALA 927 Ca -0.10 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1bxr h ALA 927 Cb 1.59 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1bxr h ALA 927 CO 0.18 -0.77 0.64 0.35 0.00 0.00 0.00 179.25 179.65 1bxr h PHE 928 N -0.47 1.17 -0.24 0.00 3.57 0.15 -1.07 116.94 120.04 1bxr h PHE 928 Ca -0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1bxr h PHE 928 Cb 0.37 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1bxr h PHE 928 CO -0.06 0.57 -0.24 0.00 -2.23 0.00 0.00 178.31 176.34 1bxr h ALA 929 N 1.47 1.13 -0.13 2.41 0.00 -0.95 -0.25 119.26 122.94 1bxr h ALA 929 Ca 0.45 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1bxr h ALA 929 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bxr h ALA 929 CO -0.20 0.55 -0.21 0.87 0.00 0.00 0.00 179.25 180.26 1bxr h LYS 930 N 0.41 0.38 -0.82 0.00 1.57 -0.46 -1.98 116.57 115.67 1bxr h LYS 930 Ca 0.06 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1bxr h LYS 930 Cb 0.65 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1bxr h LYS 930 CO 0.05 0.82 0.49 0.00 -0.57 0.00 0.00 179.45 180.23 1bxr h ALA 931 N 0.56 1.05 -0.32 3.86 0.00 -1.13 0.28 119.26 123.55 1bxr h ALA 931 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bxr h ALA 931 Cb 0.79 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bxr h ALA 931 CO 0.05 0.51 0.11 0.37 0.00 0.00 0.00 179.25 180.30 1bxr h GLN 932 N 1.13 0.49 -0.67 0.00 4.15 -0.98 0.28 115.11 119.50 1bxr h GLN 932 Ca 0.29 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1bxr h GLN 932 Cb -0.04 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1bxr h GLN 932 CO -0.05 0.51 0.21 1.25 -1.93 0.00 0.00 178.83 178.82 1bxr h LEU 933 N 0.36 0.98 -0.56 -2.39 5.85 -1.22 -2.11 115.31 116.22 1bxr h LEU 933 Ca 0.10 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1bxr h LEU 933 Cb 0.22 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1bxr h LEU 933 CO -0.01 0.92 0.26 1.23 -0.34 0.00 0.00 178.44 180.51 1bxr h GLY 934 N 0.98 0.78 0.95 3.75 0.00 -0.62 0.93 103.07 109.84 1bxr h GLY 934 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1bxr h GLY 934 CO -0.01 0.08 0.00 -1.14 0.00 0.00 0.00 176.54 175.47 1bxr n SER 935 N -4.91 0.00 -1.11 0.19 3.41 0.96 -4.77 113.62 107.39 1bxr n SER 935 Ca 0.06 -0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 1bxr n SER 935 Cb 0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1bxr n SER 935 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bxr n ASN 936 N -0.97 -3.72 -4.77 4.04 4.05 0.32 -4.94 115.26 109.27 1bxr n ASN 936 Ca 0.05 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.81 1bxr n ASN 936 Cb 0.02 -2.75 0.06 0.00 1.23 0.00 0.00 39.78 38.34 1bxr n ASN 936 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1bxr s SER 937 N -2.62 4.91 0.00 1.20 0.15 -1.07 -4.95 113.70 111.33 1bxr s SER 937 Ca 0.00 1.98 0.24 0.00 0.70 0.00 0.00 55.95 58.87 1bxr s SER 937 Cb 0.00 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.04 1bxr s SER 937 CO 0.00 -1.76 1.29 0.35 1.20 0.00 0.00 173.24 174.32 1bxr n THR 938 N -2.68 0.00 -1.50 6.45 -2.24 -1.26 -4.88 114.28 108.17 1bxr n THR 938 Ca 0.10 -0.36 -0.54 0.00 -2.27 0.00 0.00 64.05 60.99 1bxr n THR 938 Cb 0.52 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1bxr n THR 938 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1bxr n MET 939 N 0.58 0.31 -4.16 -0.78 0.00 -1.26 -4.65 117.12 107.16 1bxr n MET 939 Ca 0.13 0.11 -0.23 0.00 0.00 0.00 0.00 57.70 57.71 1bxr n MET 939 Cb 0.51 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 32.17 1bxr n MET 939 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1bxr s LYS 940 N -0.29 2.37 0.00 2.12 -0.14 -1.26 -5.03 119.74 117.51 1bxr s LYS 940 Ca 0.80 -1.50 0.16 0.00 -1.36 0.00 0.00 55.97 54.08 1bxr s LYS 940 Cb -1.08 -2.18 0.56 0.00 -1.68 0.00 0.00 37.83 33.44 1bxr s LYS 940 CO 0.55 0.19 1.42 1.63 -0.76 0.00 0.00 175.35 178.38 1bxr n LYS 941 N -1.08 1.75 -2.32 1.68 5.02 -1.26 -4.93 118.16 117.02 1bxr n LYS 941 Ca -0.04 -1.15 -0.05 0.00 -2.02 0.00 0.00 58.31 55.05 1bxr n LYS 941 Cb 0.61 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 34.28 1bxr n LYS 941 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1bxr n HIS 942 N 0.39 -1.42 0.00 2.13 1.44 -1.26 -4.88 115.22 111.62 1bxr n HIS 942 Ca 0.14 -0.88 0.00 0.00 -2.01 0.00 0.00 57.72 54.98 1bxr n HIS 942 Cb 0.31 0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.79 1bxr n HIS 942 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bxr n GLY 943 N -0.24 0.01 3.42 -1.39 0.00 -1.26 -4.74 105.19 100.99 1bxr n GLY 943 Ca -0.03 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1bxr n GLY 943 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 944 N 0.00 3.51 -0.11 1.61 3.52 -1.26 -0.82 118.95 125.41 1bxr s ARG 944 Ca 0.00 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1bxr s ARG 944 Cb 0.00 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 1bxr s ARG 944 CO 0.00 0.19 0.01 0.00 -0.81 0.00 0.00 175.30 174.69 1bxr s ALA 945 N 0.45 3.28 -0.15 6.12 0.00 0.06 -0.66 121.76 130.87 1bxr s ALA 945 Ca -0.06 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1bxr s ALA 945 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1bxr s ALA 945 CO 0.04 0.49 0.01 -1.17 0.00 0.00 0.00 175.76 175.12 1bxr s LEU 946 N -0.56 3.53 -0.08 0.00 2.96 -0.23 -0.54 118.68 123.76 1bxr s LEU 946 Ca 0.10 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1bxr s LEU 946 Cb -0.12 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1bxr s LEU 946 CO 0.02 0.22 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.31 1bxr s LEU 947 N 0.06 1.94 -0.41 -0.68 1.02 -0.45 -0.88 118.68 119.28 1bxr s LEU 947 Ca 0.02 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.79 1bxr s LEU 947 Cb -0.13 -1.19 0.18 0.00 0.02 0.00 0.00 46.19 45.07 1bxr s LEU 947 CO 0.02 0.13 0.61 -0.55 0.02 0.00 0.00 176.35 176.58 1bxr s SER 948 N 0.35 -1.26 0.45 2.29 0.15 -0.70 -2.93 113.70 112.04 1bxr s SER 948 Ca -0.15 -0.91 0.07 0.00 0.70 0.00 0.00 55.95 55.66 1bxr s SER 948 Cb -0.16 1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 65.96 1bxr s SER 948 CO 0.06 -0.17 0.37 0.68 1.20 0.00 0.00 173.24 175.38 1bxr s VAL 949 N 1.76 2.34 0.43 4.45 -7.23 -1.26 -1.89 120.40 119.00 1bxr s VAL 949 Ca 0.17 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1bxr s VAL 949 Cb -0.05 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1bxr s VAL 949 CO -0.06 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.39 1bxr s ARG 950 N -4.15 3.27 0.12 4.82 1.04 -0.71 -4.78 118.95 118.56 1bxr s ARG 950 Ca 0.44 -0.28 -0.23 0.00 -1.04 0.00 0.00 55.73 54.62 1bxr s ARG 950 Cb -0.02 -2.54 -0.05 0.00 -2.04 0.00 0.00 34.95 30.30 1bxr s ARG 950 CO 0.26 -0.15 1.19 0.39 -0.04 0.00 0.00 175.30 176.95 1bxr n GLU 951 N -2.05 -0.32 -0.12 3.89 -0.58 -1.26 -1.60 120.64 118.60 1bxr n GLU 951 Ca -0.01 1.17 0.07 0.00 -0.42 0.00 0.00 57.16 57.97 1bxr n GLU 951 Cb 0.57 -1.73 0.39 0.00 -0.57 0.00 0.00 31.44 30.10 1bxr n GLU 951 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1bxr h GLY 952 N 0.00 0.79 1.04 0.62 0.00 -2.00 -0.58 103.07 102.94 1bxr h GLY 952 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1bxr h GLY 952 CO -0.68 0.21 0.00 1.22 0.00 0.00 0.00 176.54 177.28 1bxr n ASP 953 N -4.47 0.00 0.29 0.19 8.00 -0.63 -3.58 116.55 116.35 1bxr n ASP 953 Ca 0.08 -0.78 0.13 0.00 0.71 0.00 0.00 54.79 54.93 1bxr n ASP 953 Cb 0.20 -0.02 0.83 0.00 -0.02 0.00 0.00 41.12 42.11 1bxr n ASP 953 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bxr h LYS 954 N 0.00 0.00 0.04 -1.24 1.57 -0.98 0.13 116.57 116.10 1bxr h LYS 954 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bxr h LYS 954 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1bxr h LYS 954 CO 0.00 0.00 -0.02 1.49 -0.57 0.00 0.00 179.45 180.35 1bxr h GLU 955 N 0.00 -0.06 0.00 3.15 4.81 -1.78 -3.37 114.58 117.34 1bxr h GLU 955 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1bxr h GLU 955 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1bxr h GLU 955 CO 0.00 0.51 -0.36 0.00 -0.73 0.00 0.00 179.01 178.43 1bxr h ARG 956 N -0.95 0.00 -0.03 1.92 3.08 -1.75 -3.13 114.38 113.53 1bxr h ARG 956 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1bxr h ARG 956 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1bxr h ARG 956 CO 0.01 0.36 0.08 -0.24 -1.07 0.00 0.00 179.97 179.11 1bxr h VAL 957 N 0.00 0.20 0.44 2.04 3.04 -0.89 -2.34 116.25 118.73 1bxr h VAL 957 Ca -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1bxr h VAL 957 Cb 0.83 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1bxr h VAL 957 CO 0.05 0.00 -0.21 0.58 -1.01 0.00 0.00 177.57 176.98 1bxr h VAL 958 N 0.00 0.54 -0.99 1.51 2.07 -1.74 0.26 116.25 117.89 1bxr h VAL 958 Ca 0.01 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.30 1bxr h VAL 958 Cb 0.17 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1bxr h VAL 958 CO -0.00 0.06 0.63 -0.78 0.02 0.00 0.00 177.57 177.50 1bxr h ASP 959 N -0.79 0.94 -0.78 0.57 3.58 -1.65 0.36 116.42 118.65 1bxr h ASP 959 Ca -0.06 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1bxr h ASP 959 Cb 0.54 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1bxr h ASP 959 CO 0.10 0.54 0.31 0.25 -2.88 0.00 0.00 179.24 177.55 1bxr h LEU 960 N 1.03 1.09 -0.99 2.28 5.85 -1.22 -0.50 115.31 122.84 1bxr h LEU 960 Ca 0.47 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1bxr h LEU 960 Cb 0.38 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1bxr h LEU 960 CO -0.22 0.97 0.58 0.00 -0.34 0.00 0.00 178.44 179.43 1bxr h ALA 961 N 1.16 1.25 -0.40 1.25 0.00 0.32 -1.95 119.26 120.89 1bxr h ALA 961 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bxr h ALA 961 Cb 0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1bxr h ALA 961 CO -0.02 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.07 1bxr h ALA 962 N 1.34 0.52 -0.60 0.00 0.00 -0.40 -1.28 119.26 118.85 1bxr h ALA 962 Ca 0.34 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1bxr h ALA 962 Cb -0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1bxr h ALA 962 CO -0.07 0.10 0.29 0.87 0.00 0.00 0.00 179.25 180.44 1bxr h LYS 963 N 0.51 0.51 -0.45 0.00 1.57 -0.65 0.33 116.57 118.40 1bxr h LYS 963 Ca 0.14 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1bxr h LYS 963 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1bxr h LYS 963 CO -0.01 0.34 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.12 1bxr h LEU 964 N 0.53 0.70 0.06 2.94 3.38 -0.93 0.67 115.31 122.65 1bxr h LEU 964 Ca 0.28 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bxr h LEU 964 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1bxr h LEU 964 CO -0.22 0.78 -0.03 -0.07 0.09 0.00 0.00 178.44 178.99 1bxr h LEU 965 N 0.69 -0.07 -1.05 1.67 3.38 -0.54 0.10 115.31 119.49 1bxr h LEU 965 Ca 0.13 -0.40 0.26 0.00 0.09 0.00 0.00 57.88 57.97 1bxr h LEU 965 Cb 0.44 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1bxr h LEU 965 CO 0.02 0.37 0.61 0.50 0.09 0.00 0.00 178.44 180.03 1bxr h LYS 966 N -0.53 0.49 0.00 1.13 3.64 -0.17 0.64 116.57 121.77 1bxr h LYS 966 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1bxr h LYS 966 Cb 0.46 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1bxr h LYS 966 CO 0.01 0.33 0.00 0.94 -2.27 0.00 0.00 179.45 178.46 1bxr n GLN 967 N -4.88 0.18 0.00 1.90 -0.06 0.21 -4.86 117.38 109.87 1bxr n GLN 967 Ca 0.28 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 1bxr n GLN 967 Cb 0.81 -1.89 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1bxr n GLN 967 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bxr n GLY 968 N -0.32 0.90 3.88 1.69 0.00 0.22 -4.87 105.19 106.69 1bxr n GLY 968 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1bxr n GLY 968 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 969 N -2.00 3.54 -0.02 1.61 0.40 0.31 -4.44 117.98 117.38 1bxr s PHE 969 Ca 0.00 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 1bxr s PHE 969 Cb 0.00 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 1bxr s PHE 969 CO 0.00 -0.38 0.01 -1.21 0.70 0.00 0.00 175.22 174.34 1bxr s GLU 970 N -4.54 2.87 0.08 0.44 2.02 0.00 -4.35 118.70 115.22 1bxr s GLU 970 Ca 0.53 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.06 1bxr s GLU 970 Cb -0.10 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1bxr s GLU 970 CO 0.42 0.65 -0.22 -0.51 0.02 0.00 0.00 175.26 175.62 1bxr s LEU 971 N -1.39 2.48 0.18 1.80 1.43 -1.26 -0.76 118.68 121.17 1bxr s LEU 971 Ca 0.18 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1bxr s LEU 971 Cb -0.11 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1bxr s LEU 971 CO 0.08 0.22 -0.17 -1.81 0.23 0.00 0.00 176.35 174.91 1bxr s ASP 972 N -1.70 2.67 0.01 2.29 1.11 0.30 0.18 116.67 121.53 1bxr s ASP 972 Ca 0.15 -0.92 -0.28 0.00 0.18 0.00 0.00 52.55 51.68 1bxr s ASP 972 Cb -0.10 -0.16 0.09 0.00 1.07 0.00 0.00 42.92 43.82 1bxr s ASP 972 CO 0.06 -0.08 0.77 0.00 1.18 0.00 0.00 175.17 177.09 1bxr s ALA 973 N -2.39 -1.76 0.51 5.23 0.00 -0.41 -1.34 121.76 121.60 1bxr s ALA 973 Ca 0.19 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1bxr s ALA 973 Cb -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1bxr s ALA 973 CO 0.07 -0.57 0.79 0.95 0.00 0.00 0.00 175.76 177.00 1bxr s THR 974 N -2.47 4.05 0.00 0.00 -4.23 -1.15 -0.71 115.64 111.13 1bxr s THR 974 Ca -0.02 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1bxr s THR 974 Cb -0.01 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1bxr s THR 974 CO -0.03 -0.50 0.23 1.57 -0.54 0.00 0.00 174.62 175.35 1bxr n HIS 975 N -2.33 0.00 -0.28 3.99 -0.00 -1.26 -1.00 115.22 114.34 1bxr n HIS 975 Ca 0.02 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.30 1bxr n HIS 975 Cb 0.57 -0.02 0.25 0.00 -0.12 0.00 0.00 29.99 30.67 1bxr n HIS 975 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1bxr h GLY 976 N 0.00 1.27 0.87 1.57 0.00 -1.96 0.33 103.07 105.16 1bxr h GLY 976 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1bxr h GLY 976 CO 0.00 -0.26 0.06 -0.84 0.00 0.00 0.00 176.54 175.50 1bxr h THR 977 N 0.30 1.16 -0.69 4.70 2.02 -1.77 -2.58 112.91 116.05 1bxr h THR 977 Ca 0.49 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1bxr h THR 977 Cb 0.91 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 1bxr h THR 977 CO -0.55 0.15 0.33 0.00 0.37 0.00 0.00 175.52 175.82 1bxr h ALA 978 N 0.89 0.95 0.01 6.16 0.00 0.11 -0.22 119.26 127.16 1bxr h ALA 978 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1bxr h ALA 978 Cb 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1bxr h ALA 978 CO -0.00 -0.08 -0.33 0.82 0.00 0.00 0.00 179.25 179.66 1bxr h ILE 979 N 0.56 0.30 -1.01 0.00 1.08 -0.21 0.36 117.51 118.59 1bxr h ILE 979 Ca 0.34 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.83 1bxr h ILE 979 Cb 0.38 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 1bxr h ILE 979 CO -0.28 0.00 0.67 0.58 -0.69 0.00 0.00 178.15 178.43 1bxr h VAL 980 N -0.48 1.24 -0.28 1.67 2.07 -1.02 0.14 116.25 119.59 1bxr h VAL 980 Ca 0.06 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1bxr h VAL 980 Cb 0.57 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1bxr h VAL 980 CO -0.27 0.25 -0.04 -0.07 0.02 0.00 0.00 177.57 177.46 1bxr h LEU 981 N 1.35 0.52 -0.47 2.57 3.38 -0.55 -2.32 115.31 119.80 1bxr h LEU 981 Ca 0.37 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1bxr h LEU 981 Cb -0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1bxr h LEU 981 CO -0.09 0.75 0.10 1.23 0.09 0.00 0.00 178.44 180.52 1bxr h GLY 982 N 0.29 0.57 2.00 0.83 0.00 0.13 0.58 103.07 107.47 1bxr h GLY 982 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1bxr h GLY 982 CO 0.02 -0.05 0.00 0.83 0.00 0.00 0.00 176.54 177.34 1bxr h GLU 983 N 0.24 0.00 -0.00 4.80 5.08 -0.85 -1.39 114.58 122.45 1bxr h GLU 983 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bxr h GLU 983 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1bxr h GLU 983 CO -0.30 0.00 -0.48 0.00 -1.00 0.00 0.00 179.01 177.23 1bxr n ALA 984 N -2.01 3.54 0.00 3.43 0.00 0.55 -4.91 120.51 121.11 1bxr n ALA 984 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1bxr n ALA 984 Cb 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1bxr n ALA 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 985 N 1.45 0.93 3.35 0.00 0.00 -0.35 -5.07 105.19 105.50 1bxr n GLY 985 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1bxr n GLY 985 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 986 N -2.00 3.58 -0.65 -0.61 1.01 0.17 -4.97 121.20 117.74 1bxr s ILE 986 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1bxr s ILE 986 Cb 0.00 -2.63 0.17 0.00 0.01 0.00 0.00 42.46 40.01 1bxr s ILE 986 CO 0.00 0.42 0.51 0.20 0.00 0.00 0.00 174.94 176.06 1bxr s ASN 987 N 1.38 5.69 0.98 3.58 0.02 -1.26 -1.13 114.94 124.19 1bxr s ASN 987 Ca 0.05 -2.68 -0.12 0.00 -1.02 0.00 0.00 52.86 49.09 1bxr s ASN 987 Cb -0.14 -1.96 0.18 0.00 0.02 0.00 0.00 41.25 39.34 1bxr s ASN 987 CO -0.01 -0.46 1.08 -2.16 0.02 0.00 0.00 177.10 175.57 1bxr s PRO 988 N 0.19 0.59 -0.18 -0.60 0.04 -1.26 -4.97 135.00 128.82 1bxr s PRO 988 Ca 0.16 0.79 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 1bxr s PRO 988 Cb -0.18 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1bxr s PRO 988 CO -0.05 -2.69 0.73 0.50 0.04 0.00 0.00 177.00 175.53 1bxr s ARG 989 N -4.83 4.26 0.22 4.56 3.52 0.13 -4.88 118.95 121.92 1bxr s ARG 989 Ca 0.65 0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 56.76 1bxr s ARG 989 Cb -0.20 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.53 1bxr s ARG 989 CO 0.59 -0.28 1.31 -1.17 -0.81 0.00 0.00 175.30 174.94 1bxr s LEU 990 N 2.01 4.42 0.08 -0.88 2.96 -1.26 -1.28 118.68 124.73 1bxr s LEU 990 Ca 0.33 2.45 0.07 0.00 -0.22 0.00 0.00 54.13 56.76 1bxr s LEU 990 Cb -0.16 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1bxr s LEU 990 CO 0.11 -0.52 -0.19 0.54 -1.32 0.00 0.00 176.35 174.98 1bxr s VAL 991 N -0.10 1.51 -0.15 1.68 0.11 0.11 -4.87 120.40 118.68 1bxr s VAL 991 Ca 0.55 -1.39 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 1bxr s VAL 991 Cb -0.37 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.06 1bxr s VAL 991 CO 0.40 -0.06 0.33 0.20 -3.33 0.00 0.00 175.10 172.65 1bxr s ASN 992 N -1.70 6.49 1.35 3.54 0.02 -1.26 -4.20 114.94 119.18 1bxr s ASN 992 Ca 0.04 0.57 -0.20 0.00 -1.02 0.00 0.00 52.86 52.25 1bxr s ASN 992 Cb -0.10 -2.20 0.33 0.00 0.02 0.00 0.00 41.25 39.30 1bxr s ASN 992 CO 0.03 0.08 0.83 0.29 0.02 0.00 0.00 177.10 178.34 1bxr n LYS 993 N 3.61 -3.91 -0.02 -0.60 5.02 -1.26 -1.41 118.16 119.60 1bxr n LYS 993 Ca -0.11 -1.15 -0.13 0.00 -2.02 0.00 0.00 58.31 54.91 1bxr n LYS 993 Cb 0.52 -1.94 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 1bxr n LYS 993 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bxr h VAL 994 N -3.26 1.30 -0.12 -0.18 2.07 -1.96 -3.18 116.25 110.92 1bxr h VAL 994 Ca -0.46 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.17 1bxr h VAL 994 Cb 1.29 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 1bxr h VAL 994 CO 0.31 0.26 -0.25 1.12 0.02 0.00 0.00 177.57 179.03 1bxr h HIS 995 N -0.26 -0.68 -0.89 1.57 -0.00 -2.00 -3.26 115.15 109.63 1bxr h HIS 995 Ca 0.01 0.03 0.37 0.00 -0.00 0.00 0.00 60.37 60.78 1bxr h HIS 995 Cb 0.42 0.32 -0.16 0.00 -0.00 0.00 0.00 27.41 27.98 1bxr h HIS 995 CO 0.06 -0.34 0.45 0.39 -0.00 0.00 0.00 177.93 178.50 1bxr n GLU 996 N -5.37 -0.05 -1.55 5.12 1.02 -1.20 -4.95 120.64 113.65 1bxr n GLU 996 Ca -0.03 1.24 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 1bxr n GLU 996 Cb 0.29 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1bxr n GLU 996 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bxr n GLY 997 N -1.25 -0.52 3.53 0.62 0.00 -1.22 -4.91 105.19 101.44 1bxr n GLY 997 Ca 0.33 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1bxr n GLY 997 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bxr s ARG 998 N -1.74 0.70 0.71 1.61 0.52 -1.26 -4.05 118.95 115.45 1bxr s ARG 998 Ca 0.00 0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 55.99 1bxr s ARG 998 Cb 0.00 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.79 1bxr s ARG 998 CO 0.00 -0.10 1.15 -2.14 0.02 0.00 0.00 175.30 174.23 1bxr s PRO 999 N 0.64 2.36 0.43 3.54 0.01 -1.26 -5.12 135.00 135.59 1bxr s PRO 999 Ca -0.02 1.54 0.05 0.00 0.01 0.00 0.00 61.00 62.58 1bxr s PRO 999 Cb -0.05 -1.88 -0.06 0.00 0.01 0.00 0.00 34.50 32.53 1bxr s PRO 999 CO -0.04 -1.62 0.02 -3.38 0.01 0.00 0.00 177.00 171.99 1bxr s HIS 1000N -2.25 2.24 0.24 6.54 -3.43 -1.26 -4.27 115.29 113.10 1bxr s HIS 1000Ca 0.70 -0.81 -0.12 0.00 -0.80 0.00 0.00 55.06 54.02 1bxr s HIS 1000Cb -0.24 -1.65 0.32 0.00 -1.43 0.00 0.00 32.58 29.57 1bxr s HIS 1000CO 0.45 0.31 1.59 -0.84 -2.00 0.00 0.00 174.74 174.25 1bxr h ILE 1001N 1.68 0.20 -0.40 -5.38 -0.00 -1.48 0.88 117.51 113.01 1bxr h ILE 1001Ca -0.43 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 64.47 1bxr h ILE 1001Cb 1.26 0.20 -0.04 0.00 -0.00 0.00 0.00 36.82 38.24 1bxr h ILE 1001CO 0.77 0.00 0.17 -0.61 -0.00 0.00 0.00 178.15 178.47 1bxr h GLN 1002N -0.01 0.33 -0.73 0.16 -0.00 -1.93 0.40 115.11 113.33 1bxr h GLN 1002Ca 0.37 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 59.02 1bxr h GLN 1002Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.94 1bxr h GLN 1002CO -0.81 0.22 0.47 -0.44 0.00 0.00 0.00 178.83 178.27 1bxr h ASP 1003N 0.34 0.78 -0.21 -0.69 3.32 -1.40 0.66 116.42 119.23 1bxr h ASP 1003Ca 0.18 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1bxr h ASP 1003Cb 0.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1bxr h ASP 1003CO -0.16 0.55 -0.19 0.03 -1.72 0.00 0.00 179.24 177.75 1bxr h ARG 1004N 0.93 0.51 0.12 3.56 3.08 -0.00 0.36 114.38 122.93 1bxr h ARG 1004Ca 0.29 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1bxr h ARG 1004Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1bxr h ARG 1004CO -0.10 0.84 -0.19 0.82 -1.07 0.00 0.00 179.97 180.27 1bxr h ILE 1005N 0.19 0.57 -0.94 2.04 2.04 -0.03 -0.65 117.51 120.73 1bxr h ILE 1005Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1bxr h ILE 1005Cb 0.73 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1bxr h ILE 1005CO 0.05 0.00 0.60 0.50 0.00 0.00 0.00 178.15 179.30 1bxr h LYS 1006N -0.37 0.92 0.00 2.37 3.64 -0.83 0.47 116.57 122.76 1bxr h LYS 1006Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bxr h LYS 1006Cb 0.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1bxr h LYS 1006CO -0.09 0.61 0.00 0.09 -2.27 0.00 0.00 179.45 177.78 1bxr n ASN 1007N -4.55 0.06 -0.27 4.20 3.02 0.11 -4.84 115.26 112.99 1bxr n ASN 1007Ca 0.16 0.51 -0.02 0.00 -0.03 0.00 0.00 54.58 55.20 1bxr n ASN 1007Cb 0.32 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1bxr n ASN 1007CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bxr n GLY 1008N 0.02 0.31 0.24 7.41 0.00 0.17 -4.95 105.19 108.38 1bxr n GLY 1008Ca 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1bxr n GLY 1008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bxr h GLU 1009N 0.00 0.39 -6.28 1.61 4.39 -1.42 -3.45 114.58 109.83 1bxr h GLU 1009Ca -0.06 -0.11 -0.65 0.00 0.34 0.00 0.00 59.36 58.88 1bxr h GLU 1009Cb 0.92 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.42 1bxr h GLU 1009CO 0.07 0.55 -0.64 0.71 -1.16 0.00 0.00 179.01 178.55 1bxr s TYR 1010N -4.66 3.08 -0.16 4.33 2.02 -1.26 -4.33 117.35 116.37 1bxr s TYR 1010Ca -0.06 0.02 0.09 0.00 -0.37 0.00 0.00 57.07 56.75 1bxr s TYR 1010Cb 0.15 -1.57 -0.13 0.00 -0.40 0.00 0.00 41.96 40.00 1bxr s TYR 1010CO 0.76 0.50 0.27 0.25 -1.57 0.00 0.00 175.55 175.76 1bxr n THR 1011N 0.52 0.00 -3.82 -0.71 -2.24 0.16 -4.92 114.28 103.27 1bxr n THR 1011Ca -0.10 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1bxr n THR 1011Cb 0.52 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.16 1bxr n THR 1011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bxr s TYR 1012N -2.38 -0.15 -0.04 4.78 5.04 -1.19 -4.05 117.35 119.36 1bxr s TYR 1012Ca -0.01 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1bxr s TYR 1012Cb 0.06 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1bxr s TYR 1012CO 0.39 -0.15 -0.01 0.42 -1.34 0.00 0.00 175.55 174.86 1bxr s ILE 1013N -0.27 0.31 -0.25 3.14 1.01 -0.45 -1.07 121.20 123.62 1bxr s ILE 1013Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1bxr s ILE 1013Cb -0.03 -0.39 0.05 0.00 0.01 0.00 0.00 42.46 42.11 1bxr s ILE 1013CO 0.01 0.18 -0.11 -0.51 0.00 0.00 0.00 174.94 174.50 1bxr s ILE 1014N 1.06 2.23 -0.24 2.92 1.10 -0.06 -0.30 121.20 127.91 1bxr s ILE 1014Ca -0.09 -1.52 -0.02 0.00 -0.51 0.00 0.00 60.65 58.51 1bxr s ILE 1014Cb -0.14 -2.26 0.07 0.00 0.15 0.00 0.00 42.46 40.28 1bxr s ILE 1014CO -0.01 0.04 0.04 0.21 -2.11 0.00 0.00 174.94 173.11 1bxr s ASN 1015N 1.14 3.45 -0.07 4.50 3.04 -0.86 -1.72 114.94 124.41 1bxr s ASN 1015Ca -0.07 -1.16 0.02 0.00 0.04 0.00 0.00 52.86 51.69 1bxr s ASN 1015Cb -0.19 -0.78 -0.03 0.00 -1.54 0.00 0.00 41.25 38.72 1bxr s ASN 1015CO -0.06 -0.33 -0.11 0.42 -3.04 0.00 0.00 177.10 173.98 1bxr s THR 1016N 1.71 3.36 0.30 -5.21 -4.23 -0.79 -4.38 115.64 106.40 1bxr s THR 1016Ca 0.02 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 60.00 1bxr s THR 1016Cb -0.17 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 1bxr s THR 1016CO -0.14 0.58 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.57 1bxr s THR 1017N -0.54 1.80 -0.23 3.99 2.01 -1.26 -1.75 115.64 119.66 1bxr s THR 1017Ca 0.08 -2.14 -0.10 0.00 0.31 0.00 0.00 61.69 59.84 1bxr s THR 1017Cb -0.12 -2.53 0.09 0.00 0.01 0.00 0.00 72.50 69.95 1bxr s THR 1017CO 0.02 -0.25 0.52 -0.55 -0.69 0.00 0.00 174.62 173.67 1bxr s SER 1018N -3.50 -0.66 0.00 3.53 0.15 -1.26 -4.94 113.70 107.02 1bxr s SER 1018Ca 0.31 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1bxr s SER 1018Cb 0.04 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1bxr s SER 1018CO 0.13 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1bxr n GLY 1019N 4.85 1.80 0.31 9.45 0.00 -1.26 -4.48 105.19 115.86 1bxr n GLY 1019Ca -0.16 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1bxr n GLY 1019CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bxr h ARG 1020N 0.00 0.07 0.01 1.61 2.47 -1.99 -0.43 114.38 116.11 1bxr h ARG 1020Ca 0.00 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1bxr h ARG 1020Cb 0.00 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1bxr h ARG 1020CO 0.00 0.05 -0.51 -0.09 0.56 0.00 0.00 179.97 179.98 1bxr h ARG 1021N 0.08 0.33 -0.78 0.04 2.43 -1.99 -3.06 114.38 111.43 1bxr h ARG 1021Ca 0.50 -0.37 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1bxr h ARG 1021Cb 0.96 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1bxr h ARG 1021CO -0.78 1.06 0.51 0.00 -1.51 0.00 0.00 179.97 179.25 1bxr h ALA 1022N 0.28 1.95 0.05 2.80 0.00 -1.67 0.28 119.26 122.95 1bxr h ALA 1022Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bxr h ALA 1022Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bxr h ALA 1022CO 0.10 -0.14 -0.02 0.82 0.00 0.00 0.00 179.25 180.00 1bxr h ILE 1023N 0.55 1.23 0.00 0.00 2.04 -1.17 -2.50 117.51 117.66 1bxr h ILE 1023Ca 0.38 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1bxr h ILE 1023Cb 0.68 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1bxr h ILE 1023CO -0.14 0.23 -0.15 -0.33 0.00 0.00 0.00 178.15 177.77 1bxr h GLU 1024N -0.47 0.00 -0.03 2.37 5.08 -1.10 -0.50 114.58 119.93 1bxr h GLU 1024Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1bxr h GLU 1024Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1bxr h GLU 1024CO 0.01 0.15 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.05 1bxr h ASP 1025N 0.00 0.15 -0.16 1.42 3.32 -0.44 -3.23 116.42 117.49 1bxr h ASP 1025Ca -0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bxr h ASP 1025Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bxr h ASP 1025CO 0.02 0.79 0.00 -1.54 -1.72 0.00 0.00 179.24 176.79 1bxr n SER 1026N -3.78 2.68 -0.05 6.45 3.41 -0.28 -4.56 113.62 117.50 1bxr n SER 1026Ca -0.02 -1.87 0.24 0.00 -0.26 0.00 0.00 58.87 56.97 1bxr n SER 1026Cb 0.67 -0.09 0.72 0.00 -0.26 0.00 0.00 64.21 65.25 1bxr n SER 1026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bxr h ARG 1027N 3.86 0.00 -0.11 4.33 2.43 -1.37 -2.08 114.38 121.45 1bxr h ARG 1027Ca 0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1bxr h ARG 1027Cb 0.83 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1bxr h ARG 1027CO 0.00 0.00 -0.65 -0.24 -1.51 0.00 0.00 179.97 177.57 1bxr h VAL 1028N 0.00 1.36 0.03 0.20 3.04 -1.85 -1.31 116.25 117.71 1bxr h VAL 1028Ca 0.32 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 1bxr h VAL 1028Cb 1.48 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.74 1bxr h VAL 1028CO -0.00 0.61 -0.04 0.40 -1.01 0.00 0.00 177.57 177.53 1bxr h ILE 1029N 0.31 0.91 -0.24 3.17 2.04 -1.73 0.30 117.51 122.27 1bxr h ILE 1029Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1bxr h ILE 1029Cb 1.20 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1bxr h ILE 1029CO 0.11 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.38 1bxr h ARG 1030N -0.08 0.37 -0.27 2.37 3.08 -1.60 0.20 114.38 118.45 1bxr h ARG 1030Ca 0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1bxr h ARG 1030Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1bxr h ARG 1030CO -0.02 0.42 0.09 0.00 -1.07 0.00 0.00 179.97 179.40 1bxr h ARG 1031N 0.23 0.41 -0.68 0.04 3.08 -1.11 -1.91 114.38 114.45 1bxr h ARG 1031Ca 0.08 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1bxr h ARG 1031Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1bxr h ARG 1031CO -0.00 0.47 0.34 0.77 -1.07 0.00 0.00 179.97 180.48 1bxr h SER 1032N 0.27 0.87 -0.60 7.04 0.02 -0.29 -1.36 113.55 119.50 1bxr h SER 1032Ca 0.09 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1bxr h SER 1032Cb 0.22 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1bxr h SER 1032CO -0.00 0.75 0.36 0.00 -1.14 0.00 0.00 176.83 176.79 1bxr h ALA 1033N 1.16 0.78 -0.22 3.77 0.00 -0.40 -0.98 119.26 123.38 1bxr h ALA 1033Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1bxr h ALA 1033Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bxr h ALA 1033CO -0.03 0.07 0.05 1.25 0.00 0.00 0.00 179.25 180.60 1bxr h LEU 1034N 0.69 0.34 -1.31 0.00 5.85 -1.05 -0.03 115.31 119.79 1bxr h LEU 1034Ca 0.25 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1bxr h LEU 1034Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1bxr h LEU 1034CO -0.12 0.48 0.38 -0.61 -0.34 0.00 0.00 178.44 178.23 1bxr h GLN 1035N 0.18 0.85 -0.17 1.25 4.15 -0.98 -2.87 115.11 117.51 1bxr h GLN 1035Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bxr h GLN 1035Cb 0.28 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1bxr h GLN 1035CO 0.00 0.59 0.00 0.66 -1.93 0.00 0.00 178.83 178.15 1bxr n TYR 1036N -4.41 0.20 -2.21 3.99 4.01 -0.39 -4.96 117.16 113.39 1bxr n TYR 1036Ca 0.06 -0.10 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 1bxr n TYR 1036Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1bxr n TYR 1036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bxr n LYS 1037N 0.84 -0.84 -3.31 -0.72 4.76 -0.82 -5.01 118.16 113.05 1bxr n LYS 1037Ca 0.17 0.45 -0.39 0.00 -2.87 0.00 0.00 58.31 55.67 1bxr n LYS 1037Cb 0.47 -4.44 -0.08 0.00 -1.84 0.00 0.00 35.03 29.14 1bxr n LYS 1037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bxr s VAL 1038N -2.49 5.14 0.26 -0.18 1.01 -0.09 -4.72 120.40 119.32 1bxr s VAL 1038Ca 0.01 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 1bxr s VAL 1038Cb -0.00 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1bxr s VAL 1038CO 0.01 0.16 1.64 1.57 0.00 0.00 0.00 175.10 178.49 1bxr n HIS 1039N 5.06 2.80 -3.95 5.22 -0.00 -1.26 -4.60 115.22 118.49 1bxr n HIS 1039Ca -0.06 0.18 -0.10 0.00 0.46 0.00 0.00 57.72 58.20 1bxr n HIS 1039Cb 0.50 -2.62 -0.11 0.00 -0.12 0.00 0.00 29.99 27.64 1bxr n HIS 1039CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1bxr s TYR 1040N 0.44 0.20 0.10 1.57 1.13 -1.26 -1.34 117.35 118.20 1bxr s TYR 1040Ca 0.68 -0.42 0.07 0.00 -1.41 0.00 0.00 57.07 55.99 1bxr s TYR 1040Cb -0.51 -0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 1bxr s TYR 1040CO 0.42 -0.18 -0.12 -0.51 -2.51 0.00 0.00 175.55 172.65 1bxr s ASP 1041N -1.30 4.28 0.00 -0.18 1.01 0.58 -4.97 116.67 116.10 1bxr s ASP 1041Ca -0.14 -0.40 0.06 0.00 0.71 0.00 0.00 52.55 52.78 1bxr s ASP 1041Cb -0.09 -0.78 0.09 0.00 1.01 0.00 0.00 42.92 43.15 1bxr s ASP 1041CO -0.01 0.19 0.85 0.35 0.21 0.00 0.00 175.17 176.76 1bxr n THR 1042N 0.84 0.33 -4.23 -1.27 -2.24 -1.26 -2.04 114.28 104.40 1bxr n THR 1042Ca -0.14 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.81 1bxr n THR 1042Cb 0.52 0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 69.54 1bxr n THR 1042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bxr s THR 1043N -0.68 0.69 0.16 4.28 -4.23 -1.26 -4.51 115.64 110.07 1bxr s THR 1043Ca 0.09 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1bxr s THR 1043Cb 0.06 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.29 1bxr s THR 1043CO 0.08 -0.01 1.80 0.25 -0.54 0.00 0.00 174.62 176.20 1bxr h LEU 1044N 5.36 0.52 -1.35 4.79 5.85 -1.95 0.99 115.31 129.52 1bxr h LEU 1044Ca -0.33 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.53 1bxr h LEU 1044Cb 1.19 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1bxr h LEU 1044CO 0.46 0.40 0.59 0.78 -0.34 0.00 0.00 178.44 180.34 1bxr h ASN 1045N 0.59 0.55 -0.13 1.25 2.35 -1.96 0.21 115.58 118.45 1bxr h ASN 1045Ca 0.16 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1bxr h ASN 1045Cb -0.03 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1bxr h ASN 1045CO -0.03 0.24 -0.13 1.23 -1.65 0.00 0.00 177.43 177.09 1bxr h GLY 1046N 0.56 0.34 1.17 2.83 0.00 -1.54 -2.63 103.07 103.80 1bxr h GLY 1046Ca 0.48 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1bxr h GLY 1046CO -0.22 0.31 0.50 -1.33 0.00 0.00 0.00 176.54 175.79 1bxr h GLY 1047N -0.08 1.05 1.34 4.60 0.00 0.14 -0.86 103.07 109.26 1bxr h GLY 1047Ca 0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1bxr h GLY 1047CO 0.03 0.33 0.09 0.74 0.00 0.00 0.00 176.54 177.73 1bxr h PHE 1048N 0.94 0.86 -0.08 5.60 0.04 -0.61 0.14 116.94 123.83 1bxr h PHE 1048Ca 0.29 -0.09 -0.19 0.00 2.80 0.00 0.00 57.97 60.78 1bxr h PHE 1048Cb 0.02 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 1bxr h PHE 1048CO -0.00 0.74 -0.77 0.00 -0.60 0.00 0.00 178.31 177.69 1bxr h ALA 1049N 1.31 0.53 -0.37 2.45 0.00 -1.08 -1.80 119.26 120.30 1bxr h ALA 1049Ca 0.17 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1bxr h ALA 1049Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bxr h ALA 1049CO 0.01 0.76 -0.05 1.15 0.00 0.00 0.00 179.25 181.12 1bxr h THR 1050N 0.30 1.27 -0.82 0.00 2.02 -0.88 -1.43 112.91 113.37 1bxr h THR 1050Ca -0.04 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1bxr h THR 1050Cb 1.36 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1bxr h THR 1050CO 0.13 0.36 0.51 0.00 0.37 0.00 0.00 175.52 176.90 1bxr h ALA 1051N 0.84 1.05 -0.77 6.16 0.00 -0.67 -2.55 119.26 123.33 1bxr h ALA 1051Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 1051Cb 0.54 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1bxr h ALA 1051CO 0.03 0.50 0.30 0.52 0.00 0.00 0.00 179.25 180.59 1bxr h MET 1052N 1.13 1.16 0.00 0.00 2.86 -1.10 -2.55 114.93 116.42 1bxr h MET 1052Ca 0.30 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1bxr h MET 1052Cb -0.07 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1bxr h MET 1052CO -0.06 0.95 0.00 0.00 1.06 0.00 0.00 176.91 178.86 1bxr h ALA 1053N 1.15 1.00 0.00 6.32 0.00 -0.85 -2.27 119.26 124.62 1bxr h ALA 1053Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1bxr h ALA 1053Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bxr h ALA 1053CO -0.02 0.00 -0.28 -0.07 0.00 0.00 0.00 179.25 178.88 1bxr h LEU 1054N 0.00 0.00 -0.05 0.00 3.38 -1.25 -2.70 115.31 114.69 1bxr h LEU 1054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bxr h LEU 1054Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1bxr h LEU 1054CO 0.00 0.28 0.00 0.59 0.09 0.00 0.00 178.44 179.40 1bxr n ASN 1055N -3.75 0.36 -4.85 -0.43 5.03 -0.85 -4.89 115.26 105.88 1bxr n ASN 1055Ca -0.01 0.54 -0.21 0.00 0.87 0.00 0.00 54.58 55.76 1bxr n ASN 1055Cb 0.38 -0.63 -0.04 0.00 -1.02 0.00 0.00 39.78 38.47 1bxr n ASN 1055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bxr s ALA 1056N -3.06 3.90 -0.26 5.41 0.00 -1.02 -5.06 121.76 121.67 1bxr s ALA 1056Ca 0.12 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1bxr s ALA 1056Cb 0.15 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1bxr s ALA 1056CO 0.53 -0.10 -0.02 0.34 0.00 0.00 0.00 175.76 176.51 1bxr s ASP 1057N -4.04 4.01 0.38 0.00 2.15 -1.26 -5.00 116.67 112.91 1bxr s ASP 1057Ca 0.44 -1.37 0.09 0.00 0.43 0.00 0.00 52.55 52.13 1bxr s ASP 1057Cb -0.04 -1.21 0.76 0.00 -0.30 0.00 0.00 42.92 42.13 1bxr s ASP 1057CO 0.27 -0.28 1.91 0.00 -0.17 0.00 0.00 175.17 176.90 1bxr h ALA 1058N 7.92 1.49 -0.02 3.66 0.00 -1.89 -2.54 119.26 127.87 1bxr h ALA 1058Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bxr h ALA 1058Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bxr h ALA 1058CO 0.43 0.36 0.00 0.25 0.00 0.00 0.00 179.25 180.30 1bxr n THR 1059N -4.28 0.02 0.34 0.00 -2.24 -1.26 -4.38 114.28 102.48 1bxr n THR 1059Ca -0.00 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1bxr n THR 1059Cb 0.26 0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 1bxr n THR 1059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bxr h GLU 1060N 1.68 -0.83 -4.25 -0.78 4.81 -1.88 -3.46 114.58 109.87 1bxr h GLU 1060Ca 0.00 0.06 -0.37 0.00 -0.13 0.00 0.00 59.36 58.92 1bxr h GLU 1060Cb 0.36 0.19 -0.31 0.00 0.63 0.00 0.00 28.75 29.62 1bxr h GLU 1060CO 0.00 -0.51 -0.76 0.21 -0.73 0.00 0.00 179.01 177.21 1bxr s LYS 1061N -5.24 0.61 0.00 1.92 2.20 -1.26 -5.14 119.74 112.83 1bxr s LYS 1061Ca -0.16 -0.17 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1bxr s LYS 1061Cb 0.02 -0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 35.70 1bxr s LYS 1061CO 0.53 0.05 -0.23 0.14 -0.36 0.00 0.00 175.35 175.47 1bxr s VAL 1062N 0.29 2.31 -0.04 4.02 -7.23 -1.26 -5.02 120.40 113.47 1bxr s VAL 1062Ca -0.03 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1bxr s VAL 1062Cb -0.07 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1bxr s VAL 1062CO -0.00 0.50 0.13 -0.51 -0.31 0.00 0.00 175.10 174.91 1bxr s ILE 1063N -0.72 0.02 0.64 -0.62 2.07 -1.26 -5.08 121.20 116.25 1bxr s ILE 1063Ca 0.11 -0.18 -0.08 0.00 -1.41 0.00 0.00 60.65 59.09 1bxr s ILE 1063Cb -0.10 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.25 1bxr s ILE 1063CO 0.01 -0.10 0.98 -0.94 -1.91 0.00 0.00 174.94 172.98 1bxr s SER 1064N -0.29 5.46 0.26 4.50 1.04 -1.26 -4.45 113.70 118.95 1bxr s SER 1064Ca -0.04 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.27 1bxr s SER 1064Cb -0.03 -1.73 0.33 0.00 0.10 0.00 0.00 66.02 64.69 1bxr s SER 1064CO 0.00 -1.22 1.63 0.58 0.98 0.00 0.00 173.24 175.22 1bxr h VAL 1065N -0.39 1.32 -0.81 5.02 2.07 -0.47 -1.47 116.25 121.52 1bxr h VAL 1065Ca -0.45 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 1bxr h VAL 1065Cb 1.26 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1bxr h VAL 1065CO 0.62 0.49 0.35 1.56 0.02 0.00 0.00 177.57 180.61 1bxr h GLN 1066N 0.30 1.20 -0.17 1.57 7.50 -1.89 -1.67 115.11 121.94 1bxr h GLN 1066Ca 0.02 -0.20 -0.04 0.00 0.50 0.00 0.00 58.65 58.93 1bxr h GLN 1066Cb 0.90 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 1bxr h GLN 1066CO 0.07 0.95 -0.04 0.93 -1.50 0.00 0.00 178.83 179.25 1bxr h GLU 1067N 1.17 0.33 -0.14 1.46 5.08 -1.89 -2.08 114.58 118.51 1bxr h GLU 1067Ca 0.27 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1bxr h GLU 1067Cb 0.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1bxr h GLU 1067CO -0.03 0.59 -0.12 0.52 -1.00 0.00 0.00 179.01 178.97 1bxr h MET 1068N 0.04 -0.13 0.00 2.33 2.86 -1.21 -2.21 114.93 116.61 1bxr h MET 1068Ca 0.04 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1bxr h MET 1068Cb 0.47 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1bxr h MET 1068CO 0.02 -0.09 -0.09 0.45 1.06 0.00 0.00 176.91 178.26 1bxr h HIS 1069N -0.13 0.00 0.00 -0.22 3.86 -1.25 -2.18 115.15 115.23 1bxr h HIS 1069Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1bxr h HIS 1069Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1bxr h HIS 1069CO -0.24 0.09 -0.05 0.00 0.86 0.00 0.00 177.93 178.58 1bxr h ALA 1070N 1.91 0.97 0.00 2.45 0.00 -0.77 -3.23 119.26 120.59 1bxr h ALA 1070Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 1070Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bxr h ALA 1070CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1bxr n GLN 1071N -2.84 0.26 -2.81 0.00 6.02 -0.82 -4.80 117.38 112.39 1bxr n GLN 1071Ca 0.04 0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 1bxr n GLN 1071Cb 0.50 -1.83 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1bxr n GLN 1071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bxr s ILE 1072N -3.16 4.67 -2.86 5.09 1.01 -1.22 -4.82 121.20 119.91 1bxr s ILE 1072Ca 0.09 1.43 0.25 0.00 0.00 0.00 0.00 60.65 62.42 1bxr s ILE 1072Cb 0.11 -4.27 0.29 0.00 0.01 0.00 0.00 42.46 38.61 1bxr s ILE 1072CO 0.55 -0.35 1.40 0.29 0.00 0.00 0.00 174.94 176.82