#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 3.24 -1.66 0.03 -0.04 -1.26 -4.75 135.00 130.57 1bxr n PRO 2 Ca 0.00 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.98 1bxr n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 1.94 -1.58 0.54 2.85 -1.26 -4.40 118.16 116.24 1bxr n LYS 3 Ca 0.00 0.70 -0.41 0.00 -1.05 0.00 0.00 58.31 57.55 1bxr n LYS 3 Cb 0.00 -2.45 0.02 0.00 -0.65 0.00 0.00 35.03 31.94 1bxr n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1bxr n ARG 4 N 3.61 1.17 -0.10 -1.58 1.74 -0.33 -4.99 116.66 116.19 1bxr n ARG 4 Ca 0.18 0.42 -0.22 0.00 -0.77 0.00 0.00 57.85 57.46 1bxr n ARG 4 Cb 0.27 -1.97 -0.12 0.00 -1.02 0.00 0.00 32.46 29.62 1bxr n ARG 4 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1bxr n THR 5 N -0.70 1.57 0.60 0.55 5.66 -1.26 -4.44 114.28 116.26 1bxr n THR 5 Ca 0.10 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1bxr n THR 5 Cb 0.40 -1.70 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 1bxr n THR 5 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1bxr n ASP 6 N -3.74 0.13 -3.71 1.09 5.75 -1.26 -4.58 116.55 110.23 1bxr n ASP 6 Ca -0.43 -0.72 -0.22 0.00 -0.01 0.00 0.00 54.79 53.40 1bxr n ASP 6 Cb 0.93 -0.06 -0.18 0.00 -1.03 0.00 0.00 41.12 40.78 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 -1.65 0.12 -0.10 2.12 1.01 -1.26 -5.00 121.20 116.44 1bxr s ILE 7 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1bxr s ILE 7 Cb 0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 1bxr s ILE 7 CO 0.00 0.14 -0.10 1.17 0.00 0.00 0.00 174.94 176.15 1bxr n LYS 8 N 5.22 0.22 -4.21 2.79 3.00 -1.26 -4.97 118.16 118.96 1bxr n LYS 8 Ca -0.05 0.07 -0.34 0.00 -0.00 0.00 0.00 58.31 57.98 1bxr n LYS 8 Cb 0.50 -1.03 -0.10 0.00 0.00 0.00 0.00 35.03 34.39 1bxr n LYS 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1bxr s SER 9 N -5.35 5.28 -0.04 3.14 1.04 -1.26 0.13 113.70 116.64 1bxr s SER 9 Ca -0.13 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1bxr s SER 9 Cb 0.04 -1.81 -0.00 0.00 0.10 0.00 0.00 66.02 64.35 1bxr s SER 9 CO 0.20 0.22 -0.16 -0.63 0.98 0.00 0.00 173.24 173.84 1bxr s ILE 10 N 0.10 1.34 -0.23 -1.02 1.09 0.11 -1.52 121.20 121.07 1bxr s ILE 10 Ca 0.03 -0.67 -0.10 0.00 -1.10 0.00 0.00 60.65 58.81 1bxr s ILE 10 Cb -0.13 -1.16 -0.05 0.00 -1.06 0.00 0.00 42.46 40.07 1bxr s ILE 10 CO 0.02 0.39 0.13 -0.22 -0.10 0.00 0.00 174.94 175.16 1bxr s LEU 11 N 0.06 4.04 -0.26 2.97 2.96 0.12 -1.28 118.68 127.29 1bxr s LEU 11 Ca -0.04 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1bxr s LEU 11 Cb -0.11 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.53 1bxr s LEU 11 CO 0.02 0.09 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.49 1bxr s ILE 12 N 0.90 3.29 -0.29 6.68 1.01 -0.07 0.94 121.20 133.65 1bxr s ILE 12 Ca 0.07 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1bxr s ILE 12 Cb -0.13 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1bxr s ILE 12 CO 0.03 0.20 1.09 -0.76 0.00 0.00 0.00 174.94 175.50 1bxr s LEU 13 N 1.40 3.97 0.87 2.97 1.43 -1.09 -2.29 118.68 125.95 1bxr s LEU 13 Ca 0.02 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 1bxr s LEU 13 Cb -0.16 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1bxr s LEU 13 CO -0.02 -0.85 1.16 -0.83 0.23 0.00 0.00 176.35 176.04 1bxr s GLY 14 N 1.66 1.59 0.31 -3.19 0.00 0.23 -3.50 107.32 104.42 1bxr s GLY 14 Ca 0.46 -0.59 0.23 0.00 0.00 0.00 0.00 44.72 44.82 1bxr s GLY 14 CO 0.14 -0.06 1.32 0.00 0.00 0.00 0.00 173.10 174.50 1bxr h ALA 15 N -1.32 0.74 0.00 3.20 0.00 -1.80 -3.38 119.26 116.70 1bxr h ALA 15 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bxr h ALA 15 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1bxr h ALA 15 CO 0.63 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1bxr n GLY 16 N 1.15 -1.89 3.76 0.00 0.00 -1.26 -4.71 105.19 102.24 1bxr n GLY 16 Ca 0.02 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 3.23 0.08 1.61 0.04 -1.26 -4.48 135.00 134.22 1bxr s PRO 17 Ca 0.00 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1bxr s PRO 17 Cb 0.00 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1bxr s PRO 17 CO 0.00 -0.99 1.39 0.42 0.04 0.00 0.00 177.00 177.86 1bxr s ILE 18 N -1.62 3.44 0.17 0.56 -1.09 -1.26 -4.92 121.20 116.47 1bxr s ILE 18 Ca 0.73 0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1bxr s ILE 18 Cb -0.29 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1bxr s ILE 18 CO 0.32 0.06 0.06 0.68 -1.23 0.00 0.00 174.94 174.83 1bxr s VAL 19 N 1.44 0.27 0.11 2.92 -7.23 -0.95 -1.82 120.40 115.15 1bxr s VAL 19 Ca 0.64 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 1bxr s VAL 19 Cb -0.35 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 1bxr s VAL 19 CO 0.29 -0.31 1.54 -0.63 -0.31 0.00 0.00 175.10 175.69 1bxr s ILE 20 N -3.94 2.96 0.00 -0.62 1.01 -1.26 -2.17 121.20 117.18 1bxr s ILE 20 Ca 0.29 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1bxr s ILE 20 Cb 0.07 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1bxr s ILE 20 CO 0.06 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1bxr n GLY 21 N 3.76 3.17 2.47 6.18 0.00 -1.26 -4.91 105.19 114.61 1bxr n GLY 21 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1bxr n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bxr s GLN 22 N -0.42 0.90 0.00 1.61 0.74 -0.92 -4.60 119.66 116.96 1bxr s GLN 22 Ca 0.00 -1.89 0.00 0.00 0.05 0.00 0.00 55.36 53.52 1bxr s GLN 22 Cb 0.00 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.54 1bxr s GLN 22 CO 0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 175.29 173.44 1bxr n ALA 23 N 3.28 0.00 0.30 1.58 0.00 -1.25 -2.24 120.51 122.19 1bxr n ALA 23 Ca 0.21 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1bxr n ALA 23 Cb 0.42 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.67 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 0.12 -0.01 0.00 9.09 -1.94 -1.15 114.58 120.70 1bxr h GLU 25 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1bxr h GLU 25 Cb 0.30 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1bxr h GLU 25 CO 0.00 0.08 -0.06 0.74 0.05 0.00 0.00 179.01 179.82 1bxr h PHE 26 N 0.13 0.01 0.06 2.06 0.04 -1.85 0.37 116.94 117.76 1bxr h PHE 26 Ca 0.33 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 1bxr h PHE 26 Cb 0.54 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1bxr h PHE 26 CO -0.36 0.08 -0.03 0.22 -0.60 0.00 0.00 178.31 177.62 1bxr h ASP 27 N 0.01 -0.06 -0.70 2.17 3.58 -1.41 0.12 116.42 120.13 1bxr h ASP 27 Ca 0.00 -0.44 0.11 0.00 0.42 0.00 0.00 57.03 57.12 1bxr h ASP 27 Cb 0.12 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.11 1bxr h ASP 27 CO 0.01 0.42 0.31 0.22 -2.88 0.00 0.00 179.24 177.32 1bxr h TYR 28 N -0.57 0.54 0.36 0.28 3.20 -0.77 0.19 116.97 120.21 1bxr h TYR 28 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1bxr h TYR 28 Cb 0.50 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1bxr h TYR 28 CO 0.09 0.15 -0.17 0.77 -1.64 0.00 0.00 178.16 177.35 1bxr h SER 29 N 0.51 -0.41 -1.02 -2.11 0.02 -0.29 -1.96 113.55 108.29 1bxr h SER 29 Ca 0.36 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.58 1bxr h SER 29 Cb 0.45 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.98 1bxr h SER 29 CO -0.32 -0.14 0.63 1.23 -1.14 0.00 0.00 176.83 177.09 1bxr h GLY 30 N -0.80 1.66 1.55 -3.77 0.00 -0.68 0.48 103.07 101.52 1bxr h GLY 30 Ca -0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1bxr h GLY 30 CO 0.08 -0.21 -0.28 0.00 0.00 0.00 0.00 176.54 176.13 1bxr h ALA 31 N 1.69 1.03 -0.42 3.60 0.00 -0.64 -0.85 119.26 123.68 1bxr h ALA 31 Ca 0.63 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1bxr h ALA 31 Cb 1.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1bxr h ALA 31 CO -0.41 0.58 -0.11 1.96 0.00 0.00 0.00 179.25 181.27 1bxr h GLN 32 N 0.45 0.75 -0.17 0.00 4.20 0.68 -2.18 115.11 118.85 1bxr h GLN 32 Ca 0.06 -0.25 -0.17 0.00 0.06 0.00 0.00 58.65 58.35 1bxr h GLN 32 Cb 0.72 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1bxr h GLN 32 CO 0.06 0.84 -0.56 0.00 -0.67 0.00 0.00 178.83 178.50 1bxr h ALA 33 N 1.19 0.29 -0.42 3.87 0.00 -0.82 -1.22 119.26 122.15 1bxr h ALA 33 Ca 0.12 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1bxr h ALA 33 Cb 0.58 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1bxr h ALA 33 CO 0.04 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.84 1bxr h LYS 35 N 0.16 0.79 -0.46 0.00 3.64 -1.40 -0.84 116.57 118.47 1bxr h LYS 35 Ca 0.21 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1bxr h LYS 35 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1bxr h LYS 35 CO -0.31 0.75 0.23 0.00 -2.27 0.00 0.00 179.45 177.85 1bxr h ALA 36 N 1.00 0.59 -0.02 5.00 0.00 -0.55 -2.18 119.26 123.11 1bxr h ALA 36 Ca 0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1bxr h ALA 36 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bxr h ALA 36 CO -0.00 0.14 -0.61 -0.07 0.00 0.00 0.00 179.25 178.71 1bxr h LEU 37 N 0.60 0.06 0.41 0.00 3.38 -0.89 -2.83 115.31 116.03 1bxr h LEU 37 Ca 0.16 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1bxr h LEU 37 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bxr h LEU 37 CO -0.02 0.65 -0.20 -0.09 0.09 0.00 0.00 178.44 178.88 1bxr h ARG 38 N 0.04 -0.53 -1.17 1.13 2.43 -0.98 -0.38 114.38 114.92 1bxr h ARG 38 Ca -0.01 0.04 0.33 0.00 -0.81 0.00 0.00 59.98 59.53 1bxr h ARG 38 Cb 1.08 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.69 1bxr h ARG 38 CO 0.08 -0.22 0.81 0.93 -1.51 0.00 0.00 179.97 180.06 1bxr h GLU 39 N -0.89 0.13 -0.00 0.20 5.08 -1.42 1.17 114.58 118.84 1bxr h GLU 39 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1bxr h GLU 39 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1bxr h GLU 39 CO 0.09 0.08 -0.03 0.39 -1.00 0.00 0.00 179.01 178.55 1bxr n GLU 40 N -4.35 0.93 -2.12 2.33 -0.58 -1.07 -4.91 120.64 110.87 1bxr n GLU 40 Ca 0.27 -0.21 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1bxr n GLU 40 Cb 1.16 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 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 1.14 0.41 3.95 0.62 0.00 0.40 -5.06 105.19 106.66 1bxr n GLY 41 Ca 0.19 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.23 3.29 -0.39 1.61 2.02 -0.17 -5.02 117.35 116.47 1bxr s TYR 42 Ca 0.01 0.20 -0.15 0.00 -0.37 0.00 0.00 57.07 56.76 1bxr s TYR 42 Cb -0.00 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1bxr s TYR 42 CO 0.01 -0.16 0.31 0.50 -1.57 0.00 0.00 175.55 174.64 1bxr s ARG 43 N -4.43 3.17 -0.32 -0.62 3.52 0.35 -4.62 118.95 116.00 1bxr s ARG 43 Ca 0.45 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 55.06 1bxr s ARG 43 Cb -0.10 -3.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.35 1bxr s ARG 43 CO 0.36 -0.66 0.35 0.08 -0.81 0.00 0.00 175.30 174.62 1bxr s VAL 44 N 1.77 5.18 -0.17 7.11 1.01 -1.26 0.05 120.40 134.09 1bxr s VAL 44 Ca 0.07 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1bxr s VAL 44 Cb -0.18 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1bxr s VAL 44 CO 0.11 -0.01 -0.07 -0.63 0.00 0.00 0.00 175.10 174.49 1bxr s ILE 45 N 2.01 3.38 0.00 2.22 1.01 -0.41 -0.96 121.20 128.46 1bxr s ILE 45 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1bxr s ILE 45 Cb -0.16 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 1bxr s ILE 45 CO 0.11 0.48 -0.01 -1.48 0.00 0.00 0.00 174.94 174.03 1bxr s LEU 46 N 0.81 2.03 -0.17 2.97 0.05 -0.18 -0.89 118.68 123.31 1bxr s LEU 46 Ca -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.04 1bxr s LEU 46 Cb -0.15 -0.04 -0.02 0.00 -2.05 0.00 0.00 46.19 43.92 1bxr s LEU 46 CO 0.01 -0.02 -0.03 0.54 -0.55 0.00 0.00 176.35 176.30 1bxr s VAL 47 N -0.18 3.84 -0.29 1.48 0.11 -0.97 -0.59 120.40 123.80 1bxr s VAL 47 Ca -0.01 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.60 1bxr s VAL 47 Cb -0.01 -2.70 0.14 0.00 -1.53 0.00 0.00 36.38 32.28 1bxr s VAL 47 CO -0.00 0.47 0.61 0.21 -3.33 0.00 0.00 175.10 173.06 1bxr s ASN 48 N 0.59 -1.09 0.45 3.54 3.84 -0.58 -0.60 114.94 121.09 1bxr s ASN 48 Ca -0.02 1.29 0.31 0.00 0.21 0.00 0.00 52.86 54.65 1bxr s ASN 48 Cb -0.14 2.15 1.41 0.00 -0.55 0.00 0.00 41.25 44.12 1bxr s ASN 48 CO 0.02 -0.23 1.93 0.77 -2.79 0.00 0.00 177.10 176.80 1bxr h SER 49 N 8.02 0.00 -3.52 -4.21 4.64 -1.78 -3.35 113.55 113.36 1bxr h SER 49 Ca -0.19 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.53 1bxr h SER 49 Cb 1.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.11 1bxr h SER 49 CO 0.15 0.00 0.50 0.21 -0.87 0.00 0.00 176.83 176.82 1bxr s ASN 50 N -4.92 6.61 0.42 4.97 3.84 -1.26 -1.82 114.94 122.78 1bxr s ASN 50 Ca 0.01 0.45 0.23 0.00 0.21 0.00 0.00 52.86 53.76 1bxr s ASN 50 Cb 0.09 -2.43 0.73 0.00 -0.55 0.00 0.00 41.25 39.09 1bxr s ASN 50 CO 0.43 -0.82 1.74 1.55 -2.79 0.00 0.00 177.10 177.21 1bxr h PRO 51 N 8.51 0.00 -0.18 0.43 0.13 -1.84 -3.26 132.00 135.79 1bxr h PRO 51 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1bxr h PRO 51 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bxr h PRO 51 CO 0.95 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.95 1bxr n ALA 52 N -2.20 2.51 -2.82 -0.56 0.00 -1.26 -4.55 120.51 111.63 1bxr n ALA 52 Ca 0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1bxr n ALA 52 Cb 0.49 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.82 5.30 0.09 0.00 -4.23 -1.23 -4.48 115.64 109.27 1bxr s THR 53 Ca 0.02 -0.22 0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1bxr s THR 53 Cb 0.01 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 1bxr s THR 53 CO 0.01 0.09 1.52 0.40 -0.54 0.00 0.00 174.62 176.11 1bxr h ILE 54 N 2.05 1.20 0.00 2.99 1.08 -1.90 -2.93 117.51 120.00 1bxr h ILE 54 Ca -0.45 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 61.71 1bxr h ILE 54 Cb 1.16 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 1bxr h ILE 54 CO 0.75 0.60 0.00 1.15 -0.69 0.00 0.00 178.15 179.96 1bxr n MET 55 N -3.45 0.15 -0.23 2.37 0.00 -1.26 -1.22 117.12 113.48 1bxr n MET 55 Ca 0.00 0.38 0.10 0.00 0.00 0.00 0.00 57.70 58.19 1bxr n MET 55 Cb 0.70 -1.79 0.26 0.00 0.00 0.00 0.00 33.22 32.39 1bxr n MET 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1bxr n THR 56 N -2.08 0.60 -2.03 3.17 -2.24 -1.11 -4.82 114.28 105.78 1bxr n THR 56 Ca 0.02 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1bxr n THR 56 Cb 0.22 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.24 6.66 0.29 3.42 1.01 -0.36 -4.88 116.67 121.57 1bxr s ASP 57 Ca 0.38 2.72 0.02 0.00 0.71 0.00 0.00 52.55 56.37 1bxr s ASP 57 Cb 0.20 -2.64 0.57 0.00 1.01 0.00 0.00 42.92 42.06 1bxr s ASP 57 CO 0.28 -0.66 1.84 1.55 0.21 0.00 0.00 175.17 178.40 1bxr h PRO 58 N 4.15 0.96 0.00 8.23 0.13 -1.91 -2.08 132.00 141.48 1bxr h PRO 58 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1bxr h PRO 58 Cb 1.22 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1bxr h PRO 58 CO 0.71 0.63 0.00 -0.85 -0.23 0.00 0.00 178.00 178.27 1bxr n GLU 59 N -4.60 0.11 0.10 0.86 -0.00 -1.26 -3.59 120.64 112.26 1bxr n GLU 59 Ca 0.18 0.14 0.12 0.00 -0.00 0.00 0.00 57.16 57.60 1bxr n GLU 59 Cb 0.35 -1.50 0.15 0.00 -0.00 0.00 0.00 31.44 30.44 1bxr n GLU 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1bxr h MET 60 N 0.00 0.00 -3.93 3.44 2.86 -1.70 -3.48 114.93 112.13 1bxr h MET 60 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1bxr h MET 60 Cb 0.28 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.80 1bxr h MET 60 CO 0.00 0.00 -0.37 0.00 1.06 0.00 0.00 176.91 177.60 1bxr s ALA 61 N -3.22 0.04 -0.00 6.32 0.00 -1.24 -4.66 121.76 119.01 1bxr s ALA 61 Ca 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1bxr s ALA 61 Cb 0.11 0.75 -0.20 0.00 0.00 0.00 0.00 23.12 23.78 1bxr s ALA 61 CO 0.72 -0.59 1.15 -0.44 0.00 0.00 0.00 175.76 176.60 1bxr h ASP 62 N 2.64 0.40 -3.36 0.00 5.19 -1.51 -3.43 116.42 116.37 1bxr h ASP 62 Ca -0.33 -0.68 -0.58 0.00 -0.62 0.00 0.00 57.03 54.82 1bxr h ASP 62 Cb 1.22 -0.12 -0.39 0.00 0.18 0.00 0.00 39.33 40.21 1bxr h ASP 62 CO 0.52 1.02 -0.76 0.00 -3.12 0.00 0.00 179.24 176.90 1bxr s ALA 63 N -3.51 1.61 -0.28 3.45 0.00 -0.13 -4.92 121.76 117.97 1bxr s ALA 63 Ca -0.14 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.34 1bxr s ALA 63 Cb 0.03 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1bxr s ALA 63 CO 0.78 -1.41 0.12 0.99 0.00 0.00 0.00 175.76 176.24 1bxr s THR 64 N 1.57 4.60 -0.41 0.00 2.01 -1.26 -1.01 115.64 121.14 1bxr s THR 64 Ca 0.03 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1bxr s THR 64 Cb -0.18 -3.23 0.11 0.00 0.01 0.00 0.00 72.50 69.21 1bxr s THR 64 CO -0.14 0.22 0.22 -0.31 -0.69 0.00 0.00 174.62 173.93 1bxr s TYR 65 N 1.64 3.52 -1.24 4.92 2.02 0.24 -0.50 117.35 127.96 1bxr s TYR 65 Ca 0.06 -2.22 -0.13 0.00 -0.37 0.00 0.00 57.07 54.41 1bxr s TYR 65 Cb -0.16 -3.19 0.16 0.00 -0.40 0.00 0.00 41.96 38.37 1bxr s TYR 65 CO 0.06 -0.96 1.58 -0.89 -1.57 0.00 0.00 175.55 173.77 1bxr n ILE 66 N 4.68 4.22 -4.25 2.71 5.41 -1.26 -1.53 119.36 129.34 1bxr n ILE 66 Ca -0.05 -4.55 -0.16 0.00 1.00 0.00 0.00 62.75 58.99 1bxr n ILE 66 Cb 0.41 -2.44 -0.10 0.00 -0.71 0.00 0.00 39.64 36.80 1bxr n ILE 66 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1bxr s GLU 67 N 1.67 1.06 -0.17 0.38 0.41 -1.25 -4.66 118.70 116.14 1bxr s GLU 67 Ca 0.44 -1.36 -0.38 0.00 -0.41 0.00 0.00 54.97 53.26 1bxr s GLU 67 Cb 0.01 -0.78 -0.15 0.00 -1.78 0.00 0.00 34.13 31.43 1bxr s GLU 67 CO 0.01 0.13 1.73 -2.30 -0.49 0.00 0.00 175.26 174.33 1bxr n PRO 68 N 0.12 1.46 -1.79 0.39 -0.02 -1.26 -3.04 135.00 130.86 1bxr n PRO 68 Ca -0.12 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 1bxr n PRO 68 Cb 0.59 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1bxr n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1bxr n ILE 69 N 4.46 2.41 -5.11 4.25 5.41 -1.26 -4.72 119.36 124.80 1bxr n ILE 69 Ca 0.24 -2.33 -0.31 0.00 1.00 0.00 0.00 62.75 61.36 1bxr n ILE 69 Cb 0.18 -2.31 -0.17 0.00 -0.71 0.00 0.00 39.64 36.64 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 6.88 2.35 0.35 1.39 2.46 -1.26 -5.02 115.29 122.44 1bxr s HIS 70 Ca 0.60 -0.92 0.27 0.00 0.47 0.00 0.00 55.06 55.47 1bxr s HIS 70 Cb 0.07 -1.58 1.16 0.00 -0.13 0.00 0.00 32.58 32.10 1bxr s HIS 70 CO 0.09 -0.37 1.18 -2.67 -2.47 0.00 0.00 174.74 170.50 1bxr n TRP 71 N 3.50 0.44 0.07 3.88 4.27 -1.26 0.27 117.44 128.61 1bxr n TRP 71 Ca -0.19 0.44 -0.11 0.00 -3.89 0.00 0.00 57.50 53.74 1bxr n TRP 71 Cb 0.53 -0.84 -0.03 0.00 -1.36 0.00 0.00 31.31 29.61 1bxr n TRP 71 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1bxr h GLU 72 N 0.00 0.33 0.01 -2.67 5.08 -1.95 -2.72 114.58 112.65 1bxr h GLU 72 Ca 0.67 -0.35 -0.26 0.00 -1.00 0.00 0.00 59.36 58.42 1bxr h GLU 72 Cb 2.27 0.10 0.02 0.00 0.50 0.00 0.00 28.75 31.63 1bxr h GLU 72 CO -0.29 1.04 -1.03 0.28 -1.00 0.00 0.00 179.01 178.02 1bxr h VAL 73 N 0.18 1.32 -0.12 3.13 2.07 -0.49 -2.88 116.25 119.47 1bxr h VAL 73 Ca -0.06 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.09 1bxr h VAL 73 Cb 1.54 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1bxr h VAL 73 CO 0.15 0.71 -0.13 0.58 0.02 0.00 0.00 177.57 178.90 1bxr h VAL 74 N 0.34 1.16 -0.26 2.57 2.07 -1.17 -1.30 116.25 119.66 1bxr h VAL 74 Ca -0.12 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1bxr h VAL 74 Cb 1.68 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1bxr h VAL 74 CO 0.19 0.22 -0.09 -0.09 0.02 0.00 0.00 177.57 177.83 1bxr h ARG 75 N 0.18 0.52 -0.76 1.57 2.43 -1.47 0.10 114.38 116.95 1bxr h ARG 75 Ca 0.04 -0.21 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1bxr h ARG 75 Cb 0.35 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1bxr h ARG 75 CO 0.02 0.76 0.40 -0.22 -1.51 0.00 0.00 179.97 179.41 1bxr h LYS 76 N 0.26 0.64 -0.51 0.20 1.63 -1.14 0.13 116.57 117.77 1bxr h LYS 76 Ca 0.06 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 1bxr h LYS 76 Cb 0.58 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1bxr h LYS 76 CO 0.03 0.42 -0.02 0.82 -3.45 0.00 0.00 179.45 177.25 1bxr h ILE 77 N 0.66 1.25 -0.49 2.00 2.04 -0.88 -2.00 117.51 120.10 1bxr h ILE 77 Ca 0.38 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1bxr h ILE 77 Cb 0.40 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1bxr h ILE 77 CO -0.28 0.39 -0.06 0.40 0.00 0.00 0.00 178.15 178.60 1bxr h ILE 78 N 0.81 1.27 -0.54 -0.67 2.04 0.59 -1.06 117.51 119.95 1bxr h ILE 78 Ca 0.15 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1bxr h ILE 78 Cb 0.52 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1bxr h ILE 78 CO 0.03 0.41 0.31 -0.08 0.00 0.00 0.00 178.15 178.81 1bxr h GLU 79 N 0.76 0.74 0.00 2.37 4.22 -0.58 0.70 114.58 122.78 1bxr h GLU 79 Ca 0.13 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 1bxr h GLU 79 Cb 0.60 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1bxr h GLU 79 CO 0.04 0.55 -0.53 -0.22 -2.18 0.00 0.00 179.01 176.67 1bxr h LYS 80 N 0.72 0.00 0.00 1.92 3.64 -1.29 -3.36 116.57 118.20 1bxr h LYS 80 Ca 0.19 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1bxr h LYS 80 Cb 0.02 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1bxr h LYS 80 CO -0.03 0.53 -1.64 0.39 -2.27 0.00 0.00 179.45 176.43 1bxr n GLU 81 N -3.29 1.32 -3.56 1.90 -0.58 -0.41 -5.05 120.64 110.97 1bxr n GLU 81 Ca 0.01 -0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.52 1bxr n GLU 81 Cb 0.71 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 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 -2.16 -1.52 -2.88 3.49 3.00 0.24 -4.90 116.66 111.94 1bxr n ARG 82 Ca -0.10 1.02 -0.40 0.00 -0.01 0.00 0.00 57.85 58.36 1bxr n ARG 82 Cb 0.58 -3.29 -0.06 0.00 0.00 0.00 0.00 32.46 29.70 1bxr n ARG 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1bxr s PRO 83 N -4.25 4.67 0.15 5.56 0.05 -1.26 -4.92 135.00 134.99 1bxr s PRO 83 Ca 0.02 1.29 -0.09 0.00 0.05 0.00 0.00 61.00 62.27 1bxr s PRO 83 Cb -0.00 -3.29 -0.01 0.00 0.05 0.00 0.00 34.50 31.24 1bxr s PRO 83 CO 0.85 0.48 1.46 -0.44 0.05 0.00 0.00 177.00 179.40 1bxr h ASP 84 N 4.58 0.88 -5.45 6.66 3.32 -1.60 -3.41 116.42 121.41 1bxr h ASP 84 Ca -0.46 -0.45 -0.18 0.00 0.02 0.00 0.00 57.03 55.97 1bxr h ASP 84 Cb 1.20 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 1bxr h ASP 84 CO 0.68 1.22 -0.50 0.00 -1.72 0.00 0.00 179.24 178.92 1bxr s ALA 85 N -4.18 0.70 -0.06 3.45 0.00 -0.86 -0.81 121.76 120.01 1bxr s ALA 85 Ca -0.10 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1bxr s ALA 85 Cb 0.11 1.15 0.02 0.00 0.00 0.00 0.00 23.12 24.39 1bxr s ALA 85 CO 0.87 -0.62 -0.10 0.54 0.00 0.00 0.00 175.76 176.46 1bxr s VAL 86 N -4.08 0.97 -0.41 0.00 0.11 0.12 0.16 120.40 117.27 1bxr s VAL 86 Ca 0.30 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1bxr s VAL 86 Cb 0.05 -0.91 0.11 0.00 -1.53 0.00 0.00 36.38 34.10 1bxr s VAL 86 CO 0.08 0.32 0.20 -0.22 -3.33 0.00 0.00 175.10 172.15 1bxr s LEU 87 N 0.76 5.24 -0.03 2.54 2.96 0.27 -1.67 118.68 128.76 1bxr s LEU 87 Ca -0.13 -2.01 0.18 0.00 -0.22 0.00 0.00 54.13 51.95 1bxr s LEU 87 Cb -0.15 -1.83 0.56 0.00 0.50 0.00 0.00 46.19 45.26 1bxr s LEU 87 CO 0.02 -0.54 1.46 -0.81 -1.32 0.00 0.00 176.35 175.16 1bxr n PRO 88 N 4.60 2.64 -0.31 0.98 -0.04 -1.26 -2.65 135.00 138.96 1bxr n PRO 88 Ca -0.03 -2.24 0.08 0.00 -0.04 0.00 0.00 63.50 61.27 1bxr n PRO 88 Cb 0.41 -1.56 0.24 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.18 1.22 -0.83 0.52 -2.24 -1.26 -3.54 114.28 109.32 1bxr n THR 89 Ca 0.21 -1.10 0.08 0.00 -2.27 0.00 0.00 64.05 60.97 1bxr n THR 89 Cb 0.58 0.39 0.21 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.83 2.62 -2.72 -0.78 2.81 -1.26 -3.04 117.12 115.58 1bxr n MET 90 Ca 0.18 -2.61 -0.06 0.00 -1.81 0.00 0.00 57.70 53.40 1bxr n MET 90 Cb 0.58 -1.65 0.04 0.00 -0.71 0.00 0.00 33.22 31.48 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 -0.52 1.86 7.00 3.03 0.00 -1.23 -3.96 105.19 111.36 1bxr n GLY 91 Ca 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.31 0.99 0.17 -0.02 0.00 -1.26 -1.72 105.19 103.03 1bxr n GLY 92 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.85 1.61 5.75 -1.96 -2.32 115.11 119.05 1bxr h GLN 93 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1bxr h GLN 93 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1bxr h GLN 93 CO 0.00 0.46 -0.47 1.15 -2.65 0.00 0.00 178.83 177.32 1bxr h THR 94 N 0.00 0.00 -0.40 2.39 2.02 -1.83 0.32 112.91 115.41 1bxr h THR 94 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1bxr h THR 94 Cb 0.88 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 1bxr h THR 94 CO 0.06 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.67 1bxr h ALA 95 N -1.29 -0.08 -0.95 6.16 0.00 -1.25 0.43 119.26 122.27 1bxr h ALA 95 Ca -0.12 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 95 Cb 0.96 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 1bxr h ALA 95 CO 0.15 -0.67 0.59 -0.07 0.00 0.00 0.00 179.25 179.25 1bxr h LEU 96 N -0.21 1.13 -0.33 0.00 3.38 -1.32 -1.39 115.31 116.57 1bxr h LEU 96 Ca 0.18 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1bxr h LEU 96 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1bxr h LEU 96 CO -0.52 0.86 -0.03 0.78 0.09 0.00 0.00 178.44 179.62 1bxr h ASN 97 N 1.31 0.60 -0.41 -0.43 2.35 0.24 -2.69 115.58 116.55 1bxr h ASN 97 Ca 0.34 -0.33 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1bxr h ASN 97 Cb -0.08 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.08 1bxr h ASN 97 CO -0.07 0.79 0.10 0.00 -1.65 0.00 0.00 177.43 176.60 1bxr h ALA 99 N 1.30 -0.50 0.00 0.00 0.00 -1.18 0.35 119.26 119.23 1bxr h ALA 99 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bxr h ALA 99 Cb 0.23 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bxr h ALA 99 CO -0.24 -0.85 0.00 -0.07 0.00 0.00 0.00 179.25 178.09 1bxr h LEU 100 N -0.50 0.00 0.03 0.00 4.07 -1.13 0.58 115.31 118.36 1bxr h LEU 100 Ca 0.05 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 1bxr h LEU 100 Cb 0.56 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.32 1bxr h LEU 100 CO -0.24 0.00 -0.51 -0.08 -1.08 0.00 0.00 178.44 176.53 1bxr h GLU 101 N 0.00 0.29 -0.97 1.13 4.57 0.13 0.18 114.58 119.91 1bxr h GLU 101 Ca 0.00 -0.36 0.08 0.00 -1.18 0.00 0.00 59.36 57.91 1bxr h GLU 101 Cb 0.28 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 1bxr h GLU 101 CO 0.00 1.08 0.61 -0.07 -1.18 0.00 0.00 179.01 179.45 1bxr h LEU 102 N -0.33 0.94 0.25 1.64 3.38 0.43 0.32 115.31 121.95 1bxr h LEU 102 Ca -0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bxr h LEU 102 Cb 1.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1bxr h LEU 102 CO 0.10 0.57 -0.12 -0.08 0.09 0.00 0.00 178.44 178.99 1bxr h GLU 103 N 1.06 -0.33 -0.00 1.13 4.57 0.26 -1.77 114.58 119.50 1bxr h GLU 103 Ca 0.44 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1bxr h GLU 103 Cb 0.29 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1bxr h GLU 103 CO -0.21 -0.13 -0.16 -0.09 -1.18 0.00 0.00 179.01 177.24 1bxr h ARG 104 N -0.47 0.01 -0.01 1.92 2.43 0.22 -2.25 114.38 116.23 1bxr h ARG 104 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bxr h ARG 104 Cb 0.36 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1bxr h ARG 104 CO 0.06 0.17 -0.08 0.94 -1.51 0.00 0.00 179.97 179.54 1bxr n GLN 105 N -4.34 1.11 -1.00 0.20 -0.06 0.11 -4.95 117.38 108.44 1bxr n GLN 105 Ca -0.02 -0.51 -0.00 0.00 -2.00 0.00 0.00 57.00 54.46 1bxr n GLN 105 Cb 0.23 -1.49 -0.00 0.00 -4.06 0.00 0.00 30.24 24.92 1bxr n GLN 105 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bxr n GLY 106 N 1.21 0.47 0.24 1.69 0.00 -0.85 -4.95 105.19 103.01 1bxr n GLY 106 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.23 0.00 1.61 2.07 -1.57 -1.51 116.25 118.08 1bxr h VAL 107 Ca -0.00 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1bxr h VAL 107 Cb 0.03 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1bxr h VAL 107 CO 0.00 0.34 -0.23 -0.07 0.02 0.00 0.00 177.57 177.63 1bxr h LEU 108 N 0.38 0.00 0.11 2.57 3.38 -1.87 -2.70 115.31 117.18 1bxr h LEU 108 Ca 0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 1bxr h LEU 108 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1bxr h LEU 108 CO 0.03 0.23 -1.50 -0.08 0.09 0.00 0.00 178.44 177.21 1bxr h GLU 109 N 0.00 0.23 0.00 1.13 4.57 -1.76 0.15 114.58 118.90 1bxr h GLU 109 Ca -0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1bxr h GLU 109 Cb 0.79 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1bxr h GLU 109 CO 0.03 1.18 -0.11 1.49 -1.18 0.00 0.00 179.01 180.42 1bxr h GLU 110 N -0.30 0.00 -0.16 1.92 4.81 -1.23 -2.50 114.58 117.13 1bxr h GLU 110 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1bxr h GLU 110 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1bxr h GLU 110 CO 0.04 0.11 0.00 1.19 -0.73 0.00 0.00 179.01 179.62 1bxr n PHE 111 N -3.75 0.29 -4.18 0.92 3.01 -1.02 -4.98 117.46 107.75 1bxr n PHE 111 Ca -0.02 -0.62 -0.32 0.00 1.01 0.00 0.00 57.45 57.50 1bxr n PHE 111 Cb 0.22 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 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 -0.27 -0.32 3.67 1.37 0.00 -0.94 -4.84 105.19 103.86 1bxr n GLY 112 Ca 0.09 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.67 4.88 0.02 1.61 1.01 0.51 -4.81 120.40 119.95 1bxr s VAL 113 Ca 0.39 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 1bxr s VAL 113 Cb -0.22 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1bxr s VAL 113 CO 0.93 0.04 0.41 -0.89 0.00 0.00 0.00 175.10 175.59 1bxr s THR 114 N 2.06 5.04 -0.40 3.92 2.01 0.01 -4.69 115.64 123.58 1bxr s THR 114 Ca 0.39 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 1bxr s THR 114 Cb -0.17 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1bxr s THR 114 CO 0.13 0.51 0.73 -0.32 -0.69 0.00 0.00 174.62 174.98 1bxr s MET 115 N -1.29 3.55 0.32 4.92 1.75 -1.26 0.15 119.30 127.45 1bxr s MET 115 Ca 0.26 0.02 0.08 0.00 -1.25 0.00 0.00 55.69 54.80 1bxr s MET 115 Cb -0.16 -3.87 -0.04 0.00 2.84 0.00 0.00 34.83 33.60 1bxr s MET 115 CO 0.14 -0.94 0.20 0.96 -0.65 0.00 0.00 175.02 174.73 1bxr s ILE 116 N 3.05 3.42 0.00 10.11 -4.36 -0.67 -4.73 121.20 128.01 1bxr s ILE 116 Ca 0.28 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1bxr s ILE 116 Cb -0.13 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1bxr s ILE 116 CO 0.19 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1bxr n GLY 117 N -1.23 2.13 3.18 6.27 0.00 -1.26 -4.30 105.19 109.98 1bxr n GLY 117 Ca -0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.88 1.10 0.18 4.61 0.00 -1.26 -4.02 121.76 121.49 1bxr s ALA 118 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1bxr s ALA 118 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 1bxr s ALA 118 CO 0.00 -0.05 0.43 0.95 0.00 0.00 0.00 175.76 177.08 1bxr s THR 119 N -2.54 5.12 0.57 0.00 -4.23 -1.26 -4.92 115.64 108.38 1bxr s THR 119 Ca 0.06 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.88 1bxr s THR 119 Cb -0.02 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.53 1bxr s THR 119 CO -0.00 -0.05 2.07 0.00 -0.54 0.00 0.00 174.62 176.09 1bxr h ALA 120 N 2.52 1.99 0.02 3.99 0.00 -1.99 0.48 119.26 126.28 1bxr h ALA 120 Ca -0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1bxr h ALA 120 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bxr h ALA 120 CO 0.71 -0.38 -0.16 0.22 0.00 0.00 0.00 179.25 179.63 1bxr h ASP 121 N 0.00 0.11 -0.03 0.00 3.58 -1.96 -2.26 116.42 115.86 1bxr h ASP 121 Ca 0.12 -0.91 0.03 0.00 0.42 0.00 0.00 57.03 56.69 1bxr h ASP 121 Cb 0.61 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 1bxr h ASP 121 CO -0.00 1.01 -0.43 0.00 -2.88 0.00 0.00 179.24 176.94 1bxr h ALA 122 N 0.10 -0.68 -0.53 -0.78 0.00 -1.52 1.14 119.26 116.99 1bxr h ALA 122 Ca -0.03 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 122 Cb 1.06 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 1bxr h ALA 122 CO 0.03 -0.97 -0.20 0.82 0.00 0.00 0.00 179.25 178.93 1bxr h ILE 123 N -0.57 0.35 -0.12 0.00 2.04 -1.03 0.40 117.51 118.58 1bxr h ILE 123 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1bxr h ILE 123 Cb 0.66 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1bxr h ILE 123 CO -0.34 0.00 -0.17 -0.78 0.00 0.00 0.00 178.15 176.86 1bxr h ASP 124 N -0.08 0.18 -0.09 1.72 3.58 -0.69 0.25 116.42 121.30 1bxr h ASP 124 Ca 0.25 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 1bxr h ASP 124 Cb 0.46 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1bxr h ASP 124 CO -0.59 0.38 -0.10 0.50 -2.88 0.00 0.00 179.24 176.55 1bxr h LYS 125 N 0.18 0.40 0.08 0.28 3.64 0.57 -2.17 116.57 119.55 1bxr h LYS 125 Ca 0.04 -0.10 -0.33 0.00 -1.27 0.00 0.00 60.65 58.98 1bxr h LYS 125 Cb 0.42 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1bxr h LYS 125 CO 0.03 0.51 -1.85 0.00 -2.27 0.00 0.00 179.45 175.87 1bxr h ALA 126 N 1.52 0.55 0.00 5.00 0.00 -0.87 -2.66 119.26 122.81 1bxr h ALA 126 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1bxr h ALA 126 Cb 0.42 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bxr h ALA 126 CO 0.02 1.41 0.00 0.93 0.00 0.00 0.00 179.25 181.61 1bxr h GLU 127 N 0.04 0.00 -4.19 0.00 4.39 -0.43 -3.41 114.58 110.98 1bxr h GLU 127 Ca -0.36 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.60 1bxr h GLU 127 Cb 2.03 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 30.40 1bxr h GLU 127 CO 0.09 0.00 -0.31 0.34 -1.16 0.00 0.00 179.01 177.97 1bxr s ASP 128 N -4.54 5.91 0.61 1.42 -1.08 -0.82 -1.85 116.67 116.32 1bxr s ASP 128 Ca 0.09 -1.91 0.24 0.00 -0.52 0.00 0.00 52.55 50.45 1bxr s ASP 128 Cb 0.11 -2.09 1.02 0.00 -1.46 0.00 0.00 42.92 40.50 1bxr s ASP 128 CO 0.55 -0.75 1.47 0.03 0.52 0.00 0.00 175.17 177.00 1bxr h ARG 129 N 8.57 0.00 0.03 4.34 3.08 -1.88 0.17 114.38 128.69 1bxr h ARG 129 Ca -0.23 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.59 1bxr h ARG 129 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.15 1bxr h ARG 129 CO 0.92 0.00 -0.89 -0.09 -1.07 0.00 0.00 179.97 178.84 1bxr h ARG 130 N 0.00 0.56 -0.12 0.04 2.43 -1.92 -1.71 114.38 113.66 1bxr h ARG 130 Ca 0.32 -0.64 -0.16 0.00 -0.81 0.00 0.00 59.98 58.69 1bxr h ARG 130 Cb 2.16 0.19 0.01 0.00 -0.42 0.00 0.00 29.97 31.91 1bxr h ARG 130 CO -0.00 1.25 -0.55 0.00 -1.51 0.00 0.00 179.97 179.15 1bxr h ARG 131 N 0.14 0.58 -0.49 0.20 3.08 -0.95 -2.85 114.38 114.10 1bxr h ARG 131 Ca -0.12 -0.47 0.06 0.00 0.07 0.00 0.00 59.98 59.52 1bxr h ARG 131 Cb 1.58 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.68 1bxr h ARG 131 CO 0.17 1.09 0.20 0.35 -1.07 0.00 0.00 179.97 180.72 1bxr h PHE 132 N 0.21 0.36 0.00 3.04 3.57 -0.92 -0.02 116.94 123.19 1bxr h PHE 132 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1bxr h PHE 132 Cb 1.19 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1bxr h PHE 132 CO 0.11 0.14 -0.05 0.22 -2.23 0.00 0.00 178.31 176.50 1bxr h ASP 133 N 0.40 0.00 0.40 0.41 1.82 -1.23 -1.97 116.42 116.24 1bxr h ASP 133 Ca 0.23 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.62 1bxr h ASP 133 Cb 0.20 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.22 1bxr h ASP 133 CO -0.21 0.05 -1.07 0.58 -1.61 0.00 0.00 179.24 176.98 1bxr h VAL 134 N 0.00 1.41 -0.44 2.25 2.07 -0.87 -2.81 116.25 117.86 1bxr h VAL 134 Ca -0.00 -2.63 -0.09 0.00 0.82 0.00 0.00 66.70 64.80 1bxr h VAL 134 Cb 0.10 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1bxr h VAL 134 CO 0.01 0.78 -0.08 0.00 0.02 0.00 0.00 177.57 178.30 1bxr h ALA 135 N 0.63 1.03 -0.45 1.67 0.00 -0.37 0.47 119.26 122.24 1bxr h ALA 135 Ca -0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1bxr h ALA 135 Cb 1.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1bxr h ALA 135 CO 0.19 0.59 0.10 0.52 0.00 0.00 0.00 179.25 180.65 1bxr h MET 136 N 0.71 0.73 -0.60 0.00 2.07 -1.42 -0.41 114.93 116.01 1bxr h MET 136 Ca 0.13 -0.18 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1bxr h MET 136 Cb 0.55 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.16 1bxr h MET 136 CO 0.03 0.73 0.26 -0.22 1.07 0.00 0.00 176.91 178.78 1bxr h LYS 137 N 0.60 0.88 -0.02 1.72 1.63 -1.22 0.17 116.57 120.34 1bxr h LYS 137 Ca 0.14 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1bxr h LYS 137 Cb 0.34 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1bxr h LYS 137 CO 0.00 0.74 -0.23 -0.22 -3.45 0.00 0.00 179.45 176.29 1bxr h LYS 138 N 0.82 0.03 -0.87 1.90 3.64 -0.14 -2.64 116.57 119.31 1bxr h LYS 138 Ca 0.20 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.35 1bxr h LYS 138 Cb 0.17 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.85 1bxr h LYS 138 CO -0.02 0.26 0.29 0.44 -2.27 0.00 0.00 179.45 178.15 1bxr n ILE 139 N -4.25 2.43 -1.08 2.00 -5.35 -0.23 -4.89 119.36 107.99 1bxr n ILE 139 Ca -0.02 -1.29 -0.03 0.00 -0.27 0.00 0.00 62.75 61.15 1bxr n ILE 139 Cb 0.30 -0.49 -0.01 0.00 -1.74 0.00 0.00 39.64 37.70 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 -0.23 0.43 3.90 3.28 0.00 -1.00 -4.99 105.19 106.58 1bxr n GLY 140 Ca 0.35 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.61 4.33 -0.02 0.99 1.43 0.57 -5.02 118.68 120.36 1bxr s LEU 141 Ca 0.00 0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 1bxr s LEU 141 Cb 0.00 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1bxr s LEU 141 CO 0.00 0.16 0.48 -0.70 0.23 0.00 0.00 176.35 176.52 1bxr s GLU 142 N -2.23 4.14 0.43 1.70 2.12 -1.26 -3.85 118.70 119.76 1bxr s GLU 142 Ca 0.34 0.52 0.04 0.00 0.36 0.00 0.00 54.97 56.22 1bxr s GLU 142 Cb -0.13 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1bxr s GLU 142 CO 0.22 0.49 0.04 0.95 -0.54 0.00 0.00 175.26 176.41 1bxr s THR 143 N -0.48 1.28 0.22 -1.70 -4.23 -1.26 -0.49 115.64 108.98 1bxr s THR 143 Ca 0.26 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 1bxr s THR 143 Cb -0.17 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 1bxr s THR 143 CO 0.14 0.00 0.66 0.00 -0.54 0.00 0.00 174.62 174.88 1bxr s ALA 144 N -2.97 3.45 -0.01 3.99 0.00 -1.26 -4.95 121.76 120.01 1bxr s ALA 144 Ca 0.22 0.02 -0.37 0.00 0.00 0.00 0.00 51.96 51.84 1bxr s ALA 144 Cb 0.05 -2.70 -0.15 0.00 0.00 0.00 0.00 23.12 20.32 1bxr s ALA 144 CO 0.11 0.38 1.54 0.54 0.00 0.00 0.00 175.76 178.33 1bxr n ARG 145 N 0.46 1.43 -0.71 0.00 1.74 -1.26 -4.79 116.66 113.53 1bxr n ARG 145 Ca -0.02 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1bxr n ARG 145 Cb 0.52 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1bxr n ARG 145 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bxr n SER 146 N 3.82 0.00 -3.57 0.55 3.41 -1.26 -0.48 113.62 116.10 1bxr n SER 146 Ca 0.21 -0.52 -0.14 0.00 -0.26 0.00 0.00 58.87 58.16 1bxr n SER 146 Cb 0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 1bxr n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bxr s GLY 147 N -0.52 -0.41 -0.05 5.00 0.00 -0.83 -4.96 107.32 105.56 1bxr s GLY 147 Ca 0.00 1.81 -0.13 0.00 0.00 0.00 0.00 44.72 46.40 1bxr s GLY 147 CO 0.00 1.16 0.35 -0.42 0.00 0.00 0.00 173.10 174.19 1bxr s ILE 148 N -0.85 5.16 -0.05 0.90 -1.09 -1.26 -1.29 121.20 122.72 1bxr s ILE 148 Ca -0.05 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1bxr s ILE 148 Cb -0.01 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1bxr s ILE 148 CO 0.04 0.55 -0.06 0.00 -1.23 0.00 0.00 174.94 174.23 1bxr s ALA 149 N -0.76 0.80 -0.33 9.38 0.00 1.00 -4.81 121.76 127.04 1bxr s ALA 149 Ca 0.21 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1bxr s ALA 149 Cb -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1bxr s ALA 149 CO 0.10 0.03 0.29 0.72 0.00 0.00 0.00 175.76 176.91 1bxr n HIS 150 N 3.94 0.00 -3.96 0.00 8.25 -1.26 0.10 115.22 122.28 1bxr n HIS 150 Ca -0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.12 1bxr n HIS 150 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.39 0.10 0.29 1.59 -4.23 -1.26 -4.91 115.64 105.82 1bxr s THR 151 Ca 0.03 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1bxr s THR 151 Cb 0.04 -0.22 0.28 0.00 1.34 0.00 0.00 72.50 73.93 1bxr s THR 151 CO 0.21 -0.42 1.91 -0.03 -0.54 0.00 0.00 174.62 175.75 1bxr h MET 152 N 4.89 1.07 0.00 3.99 4.05 -1.96 4.33 114.93 131.29 1bxr h MET 152 Ca -0.31 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.01 1bxr h MET 152 Cb 1.21 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1bxr h MET 152 CO 0.43 0.71 -0.20 1.49 0.23 0.00 0.00 176.91 179.57 1bxr h GLU 153 N 1.10 0.00 0.10 0.39 4.81 -1.98 0.29 114.58 119.28 1bxr h GLU 153 Ca 0.40 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.42 1bxr h GLU 153 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1bxr h GLU 153 CO -0.15 0.20 -1.03 0.93 -0.73 0.00 0.00 179.01 178.23 1bxr h GLU 154 N 0.00 0.20 0.86 1.92 5.08 -0.34 -3.21 114.58 119.09 1bxr h GLU 154 Ca -0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1bxr h GLU 154 Cb 0.59 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1bxr h GLU 154 CO 0.03 1.17 -0.44 0.00 -1.00 0.00 0.00 179.01 178.76 1bxr h ALA 155 N -0.05 -1.21 -1.11 3.43 0.00 0.84 -2.30 119.26 118.86 1bxr h ALA 155 Ca -0.22 -0.26 0.32 0.00 0.00 0.00 0.00 54.91 54.75 1bxr h ALA 155 Cb 1.58 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.75 1bxr h ALA 155 CO 0.05 -1.18 0.71 -0.07 0.00 0.00 0.00 179.25 178.76 1bxr h LEU 156 N -1.19 0.40 -0.35 0.00 3.38 -0.60 0.29 115.31 117.24 1bxr h LEU 156 Ca -0.12 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1bxr h LEU 156 Cb 0.93 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1bxr h LEU 156 CO 0.18 -0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.42 1bxr h ALA 157 N 1.64 0.50 0.13 1.53 0.00 -1.48 -2.18 119.26 119.40 1bxr h ALA 157 Ca 0.67 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1bxr h ALA 157 Cb 1.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1bxr h ALA 157 CO -0.36 0.52 -0.06 0.28 0.00 0.00 0.00 179.25 179.62 1bxr h VAL 158 N 0.58 0.98 0.00 0.00 2.07 0.02 -2.22 116.25 117.68 1bxr h VAL 158 Ca 0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1bxr h VAL 158 Cb 0.85 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1bxr h VAL 158 CO 0.07 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1bxr n ALA 159 N -2.29 1.72 0.02 1.67 0.00 0.12 0.33 120.51 122.09 1bxr n ALA 159 Ca -0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 1bxr n ALA 159 Cb 0.18 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 1bxr n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h ALA 160 N 2.53 0.64 -3.00 0.00 0.00 -0.82 -3.34 119.26 115.28 1bxr h ALA 160 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1bxr h ALA 160 Cb 0.06 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bxr h ALA 160 CO 0.00 1.28 0.00 -3.47 0.00 0.00 0.00 179.25 177.06 1bxr n ASP 161 N -3.09 0.00 -0.23 0.00 2.03 0.15 -4.57 116.55 110.84 1bxr n ASP 161 Ca -0.10 0.17 0.14 0.00 0.52 0.00 0.00 54.79 55.52 1bxr n ASP 161 Cb 0.95 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.79 1bxr n ASP 161 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1bxr h VAL 162 N 0.00 0.81 0.00 5.18 -1.51 -1.73 -3.49 116.25 115.50 1bxr h VAL 162 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1bxr h VAL 162 Cb 0.00 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 1bxr h VAL 162 CO 0.00 0.10 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 1bxr n GLY 163 N -1.47 0.53 3.39 5.19 0.00 -1.25 -4.88 105.19 106.68 1bxr n GLY 163 Ca 0.16 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.03 2.61 0.74 1.61 0.08 -1.26 -3.77 117.98 116.96 1bxr s PHE 164 Ca 0.00 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 1bxr s PHE 164 Cb 0.00 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1bxr s PHE 164 CO 0.00 -0.01 1.11 -1.25 -0.10 0.00 0.00 175.22 174.97 1bxr s PRO 165 N -0.40 2.38 0.02 0.24 0.05 -1.26 -5.06 135.00 130.97 1bxr s PRO 165 Ca 0.04 0.18 -0.09 0.00 0.05 0.00 0.00 61.00 61.18 1bxr s PRO 165 Cb -0.12 -2.02 0.00 0.00 0.05 0.00 0.00 34.50 32.41 1bxr s PRO 165 CO 0.02 -1.29 0.19 0.00 0.05 0.00 0.00 177.00 175.97 1bxr s ILE 167 N -2.13 4.69 -0.27 0.00 1.09 0.16 -1.58 121.20 123.16 1bxr s ILE 167 Ca -0.08 -0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.31 1bxr s ILE 167 Cb -0.03 -3.05 -0.00 0.00 -1.06 0.00 0.00 42.46 38.32 1bxr s ILE 167 CO -0.02 0.54 0.07 -0.63 -0.10 0.00 0.00 174.94 174.80 1bxr s ILE 168 N -0.32 4.02 -0.19 2.92 1.09 -0.82 0.67 121.20 128.57 1bxr s ILE 168 Ca 0.08 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 1bxr s ILE 168 Cb -0.12 -2.99 0.04 0.00 -1.06 0.00 0.00 42.46 38.33 1bxr s ILE 168 CO 0.02 0.19 -0.09 -0.13 -0.10 0.00 0.00 174.94 174.83 1bxr s ARG 169 N 1.53 1.90 0.59 2.79 0.52 0.54 -2.79 118.95 124.02 1bxr s ARG 169 Ca 0.04 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.36 1bxr s ARG 169 Cb -0.16 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1bxr s ARG 169 CO 0.02 -0.41 1.05 -2.14 0.02 0.00 0.00 175.30 173.84 1bxr s PRO 170 N 1.47 3.38 0.46 3.54 0.02 -1.26 -1.07 135.00 141.52 1bxr s PRO 170 Ca -0.00 1.18 -0.19 0.00 0.02 0.00 0.00 61.00 62.01 1bxr s PRO 170 Cb -0.16 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 1bxr s PRO 170 CO -0.08 -0.76 0.95 -1.12 -0.33 0.00 0.00 177.00 175.66 1bxr s SER 171 N -2.81 6.81 -1.47 2.53 0.01 -1.03 -4.03 113.70 113.72 1bxr s SER 171 Ca 0.63 1.62 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 1bxr s SER 171 Cb -0.15 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1bxr s SER 171 CO 0.36 -0.44 0.97 0.49 0.41 0.00 0.00 173.24 175.04 1bxr n PHE 172 N -0.99 -2.34 -3.76 2.43 3.72 -0.77 -4.28 117.46 111.47 1bxr n PHE 172 Ca 0.07 0.92 -0.13 0.00 -0.05 0.00 0.00 57.45 58.25 1bxr n PHE 172 Cb 0.54 -4.23 -0.11 0.00 -0.94 0.00 0.00 39.48 34.74 1bxr n PHE 172 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1bxr s THR 173 N -3.36 0.01 0.34 4.37 -4.23 -1.26 -4.41 115.64 107.10 1bxr s THR 173 Ca 0.54 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 1bxr s THR 173 Cb -0.26 -0.48 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1bxr s THR 173 CO 0.81 -0.04 0.08 0.00 -0.54 0.00 0.00 174.62 174.93 1bxr s MET 174 N -0.03 1.69 -0.91 3.99 0.23 -1.26 -4.81 119.30 118.21 1bxr s MET 174 Ca -0.02 -1.96 0.00 0.00 -1.03 0.00 0.00 55.69 52.68 1bxr s MET 174 Cb -0.03 -0.72 0.00 0.00 -1.53 0.00 0.00 34.83 32.55 1bxr s MET 174 CO 0.01 -0.28 0.00 0.41 -2.03 0.00 0.00 175.02 173.13 1bxr n GLY 175 N -0.71 0.79 2.71 3.16 0.00 -1.26 -1.67 105.19 108.20 1bxr n GLY 175 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.65 0.70 3.62 -0.02 0.00 -1.26 -2.02 105.19 104.56 1bxr n GLY 176 Ca -0.09 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.83 3.59 0.00 1.61 7.64 -0.67 -2.52 113.62 122.44 1bxr n SER 177 Ca -0.07 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1bxr n SER 177 Cb 0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 5.27 0.82 0.00 0.23 0.00 -1.26 -4.64 105.19 105.61 1bxr n GLY 178 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.34 5.57 0.00 -0.02 0.00 -1.05 -3.68 105.19 103.66 1bxr n GLY 179 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 4.00 1.01 3.65 -0.02 0.00 -1.12 -4.78 105.19 107.94 1bxr n GLY 180 Ca 0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.02 5.26 -0.85 -0.61 1.01 -1.26 -1.95 121.20 121.78 1bxr s ILE 181 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1bxr s ILE 181 Cb 0.00 -3.45 0.14 0.00 0.01 0.00 0.00 42.46 39.16 1bxr s ILE 181 CO 0.00 0.36 1.01 0.00 0.00 0.00 0.00 174.94 176.30 1bxr s ALA 182 N 1.00 3.46 0.15 9.38 0.00 -0.61 -4.85 121.76 130.29 1bxr s ALA 182 Ca 0.07 -2.71 -0.04 0.00 0.00 0.00 0.00 51.96 49.28 1bxr s ALA 182 Cb -0.13 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.07 1bxr s ALA 182 CO 0.04 -2.78 1.36 1.88 0.00 0.00 0.00 175.76 176.26 1bxr h TYR 183 N 8.77 0.66 -3.91 0.00 0.05 -1.93 -3.09 116.97 117.52 1bxr h TYR 183 Ca 0.06 -0.32 -0.32 0.00 0.05 0.00 0.00 58.73 58.20 1bxr h TYR 183 Cb 1.04 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 38.61 1bxr h TYR 183 CO 1.09 1.11 -0.30 0.27 -1.05 0.00 0.00 178.16 179.28 1bxr n ASN 184 N -3.82 -0.01 -0.13 3.88 0.23 -1.26 -4.49 115.26 109.66 1bxr n ASN 184 Ca -0.06 -2.38 -0.12 0.00 -0.53 0.00 0.00 54.58 51.49 1bxr n ASN 184 Cb 0.76 0.94 -0.02 0.00 -2.08 0.00 0.00 39.78 39.38 1bxr n ASN 184 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1bxr h ARG 185 N 0.00 0.84 -0.41 -3.83 0.11 -2.00 -2.17 114.38 106.91 1bxr h ARG 185 Ca -0.16 -0.38 -0.03 0.00 0.10 0.00 0.00 59.98 59.51 1bxr h ARG 185 Cb 0.76 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 1bxr h ARG 185 CO 0.24 1.02 0.15 1.49 0.10 0.00 0.00 179.97 182.97 1bxr h GLU 186 N 0.64 0.59 -0.11 0.08 4.81 -2.00 -2.56 114.58 116.02 1bxr h GLU 186 Ca 0.08 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1bxr h GLU 186 Cb 0.79 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1bxr h GLU 186 CO 0.06 0.50 -0.05 0.93 -0.73 0.00 0.00 179.01 179.72 1bxr h GLU 187 N 0.59 0.24 -0.23 1.92 5.08 -1.96 -2.92 114.58 117.29 1bxr h GLU 187 Ca 0.14 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1bxr h GLU 187 Cb 0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1bxr h GLU 187 CO -0.01 0.58 -0.01 0.35 -1.00 0.00 0.00 179.01 178.92 1bxr h PHE 188 N -0.11 -0.04 -0.01 4.33 3.57 -1.21 -2.46 116.94 121.00 1bxr h PHE 188 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1bxr h PHE 188 Cb 0.51 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1bxr h PHE 188 CO 0.07 -0.05 -0.06 0.93 -2.23 0.00 0.00 178.31 176.97 1bxr h GLU 189 N 0.06 -0.10 0.00 1.11 5.08 -1.51 0.26 114.58 119.48 1bxr h GLU 189 Ca 0.11 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1bxr h GLU 189 Cb 0.15 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1bxr h GLU 189 CO -0.20 -0.06 -0.07 1.49 -1.00 0.00 0.00 179.01 179.16 1bxr h GLU 190 N -0.10 0.00 0.00 2.33 4.81 -1.39 -1.63 114.58 118.60 1bxr h GLU 190 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1bxr h GLU 190 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1bxr h GLU 190 CO -0.07 0.07 -0.05 0.82 -0.73 0.00 0.00 179.01 179.06 1bxr h ILE 191 N 0.00 0.00 -0.61 2.32 2.04 -1.27 -3.20 117.51 116.78 1bxr h ILE 191 Ca -0.00 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.10 1bxr h ILE 191 Cb 0.14 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.13 1bxr h ILE 191 CO 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.66 1bxr h ALA 193 N 0.05 0.14 -0.97 0.00 0.00 -1.50 0.26 119.26 117.25 1bxr h ALA 193 Ca 0.10 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1bxr h ALA 193 Cb 0.44 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1bxr h ALA 193 CO -0.67 -0.49 0.59 -0.09 0.00 0.00 0.00 179.25 178.59 1bxr h ARG 194 N -0.04 0.91 -0.24 0.00 2.43 -1.38 -3.01 114.38 113.07 1bxr h ARG 194 Ca 0.13 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1bxr h ARG 194 Cb 0.23 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1bxr h ARG 194 CO -0.29 0.60 -0.04 0.78 -1.51 0.00 0.00 179.97 179.52 1bxr h GLY 195 N 0.94 0.48 2.00 2.80 0.00 0.78 -2.63 103.07 107.44 1bxr h GLY 195 Ca 0.48 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1bxr h GLY 195 CO -0.27 0.35 -0.23 1.41 0.00 0.00 0.00 176.54 177.80 1bxr h LEU 196 N 0.19 0.00 0.11 3.11 3.38 -0.43 0.35 115.31 122.02 1bxr h LEU 196 Ca 0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1bxr h LEU 196 Cb 0.48 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.26 1bxr h LEU 196 CO 0.02 0.23 -1.08 -0.78 0.09 0.00 0.00 178.44 176.92 1bxr h ASP 197 N 0.00 0.75 -0.65 -0.43 3.58 -1.57 -3.32 116.42 114.79 1bxr h ASP 197 Ca -0.00 -0.84 -0.04 0.00 0.42 0.00 0.00 57.03 56.56 1bxr h ASP 197 Cb 0.41 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1bxr h ASP 197 CO 0.03 1.52 0.26 0.25 -2.88 0.00 0.00 179.24 178.42 1bxr h LEU 198 N 0.09 0.92 -9.51 2.28 5.85 -1.05 -3.42 115.31 110.47 1bxr h LEU 198 Ca -0.17 -0.14 -0.53 0.00 0.84 0.00 0.00 57.88 57.89 1bxr h LEU 198 Cb 1.79 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 42.61 1bxr h LEU 198 CO 0.21 0.83 0.90 -0.55 -0.34 0.00 0.00 178.44 179.49 1bxr s SER 199 N -6.46 6.65 0.48 1.25 0.15 0.07 -4.86 113.70 110.97 1bxr s SER 199 Ca -0.11 2.48 0.26 0.00 0.70 0.00 0.00 55.95 59.27 1bxr s SER 199 Cb 0.16 -2.58 1.16 0.00 -1.71 0.00 0.00 66.02 63.05 1bxr s SER 199 CO 0.81 -0.82 1.93 -0.65 1.20 0.00 0.00 173.24 175.72 1bxr h PRO 200 N 7.53 0.00 -0.30 5.44 0.11 -1.77 -2.03 132.00 140.98 1bxr h PRO 200 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bxr h PRO 200 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bxr h PRO 200 CO 0.91 0.18 0.00 0.25 -0.21 0.00 0.00 178.00 179.13 1bxr n THR 201 N -3.48 0.46 -4.07 -1.15 -2.24 -1.26 -4.99 114.28 97.54 1bxr n THR 201 Ca -0.01 -0.73 -0.27 0.00 -2.27 0.00 0.00 64.05 60.77 1bxr n THR 201 Cb 0.35 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.21 -2.58 -4.09 -0.78 4.81 -0.76 -4.96 118.16 111.00 1bxr n LYS 202 Ca 0.16 0.31 -0.14 0.00 -0.87 0.00 0.00 58.31 57.77 1bxr n LYS 202 Cb 0.53 -4.27 -0.12 0.00 0.02 0.00 0.00 35.03 31.19 1bxr n LYS 202 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1bxr s GLU 203 N -6.82 0.57 0.05 1.64 2.12 -1.26 -4.65 118.70 110.36 1bxr s GLU 203 Ca 0.03 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.68 1bxr s GLU 203 Cb -0.02 -0.39 -0.02 0.00 0.26 0.00 0.00 34.13 33.95 1bxr s GLU 203 CO 0.92 0.08 -0.16 -0.51 -0.54 0.00 0.00 175.26 175.06 1bxr s LEU 204 N -1.47 2.19 -0.22 2.70 1.43 0.28 -2.45 118.68 121.14 1bxr s LEU 204 Ca -0.08 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1bxr s LEU 204 Cb -0.09 -0.67 0.05 0.00 0.03 0.00 0.00 46.19 45.50 1bxr s LEU 204 CO 0.01 0.04 -0.12 -0.22 0.23 0.00 0.00 176.35 176.29 1bxr s LEU 205 N -1.28 2.73 -0.33 1.79 2.96 -0.24 -0.00 118.68 124.32 1bxr s LEU 205 Ca 0.02 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 1bxr s LEU 205 Cb -0.08 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1bxr s LEU 205 CO 0.02 -0.15 0.23 -0.63 -1.32 0.00 0.00 176.35 174.50 1bxr s ILE 206 N 1.26 5.26 0.16 6.68 1.01 -0.41 -0.34 121.20 134.82 1bxr s ILE 206 Ca -0.04 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1bxr s ILE 206 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1bxr s ILE 206 CO -0.08 0.04 -0.02 -1.81 0.00 0.00 0.00 174.94 173.08 1bxr s ASP 207 N 1.72 4.69 0.72 3.58 1.01 0.21 -1.96 116.67 126.65 1bxr s ASP 207 Ca 0.06 -0.40 -0.13 0.00 0.71 0.00 0.00 52.55 52.79 1bxr s ASP 207 Cb -0.17 -0.97 0.03 0.00 1.01 0.00 0.00 42.92 42.82 1bxr s ASP 207 CO 0.10 0.10 1.12 -1.83 0.21 0.00 0.00 175.17 174.87 1bxr s GLU 208 N -2.82 2.44 0.11 8.23 -1.05 0.37 0.38 118.70 126.36 1bxr s GLU 208 Ca 0.26 1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 56.15 1bxr s GLU 208 Cb -0.10 -1.91 -0.06 0.00 -0.44 0.00 0.00 34.13 31.63 1bxr s GLU 208 CO 0.18 -1.53 0.98 0.45 0.95 0.00 0.00 175.26 176.29 1bxr s SER 209 N -2.80 7.45 -0.07 0.83 0.15 -1.22 -4.61 113.70 113.43 1bxr s SER 209 Ca 0.66 1.82 0.10 0.00 0.70 0.00 0.00 55.95 59.22 1bxr s SER 209 Cb -0.20 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.67 1bxr s SER 209 CO 0.48 -0.11 1.04 0.18 1.20 0.00 0.00 173.24 176.03 1bxr n LEU 210 N 2.88 1.69 -4.64 3.45 4.77 -1.26 -5.07 117.00 118.82 1bxr n LEU 210 Ca 0.03 -2.25 -0.47 0.00 -0.03 0.00 0.00 56.01 53.29 1bxr n LEU 210 Cb 0.49 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1bxr n LEU 210 CO 0.52 0.53 1.00 -0.38 -1.33 0.00 0.00 177.39 177.72 1bxr n ILE 211 N -0.87 0.53 0.00 -0.08 5.41 -1.26 -1.75 119.36 121.34 1bxr n ILE 211 Ca 0.08 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1bxr n ILE 211 Cb 0.55 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 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 2.54 1.60 3.79 7.39 0.00 -0.88 -4.94 105.19 114.69 1bxr n GLY 212 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.40 2.54 0.47 1.61 0.52 -0.72 -4.71 118.94 116.26 1bxr s TRP 213 Ca 0.00 0.86 -0.19 0.00 0.02 0.00 0.00 56.10 56.79 1bxr s TRP 213 Cb 0.00 -3.38 -0.09 0.00 -1.15 0.00 0.00 33.47 28.85 1bxr s TRP 213 CO 0.00 -2.32 0.99 0.15 0.02 0.00 0.00 176.95 175.79 1bxr s LYS 214 N -5.28 4.00 -0.10 4.98 1.02 0.12 -2.08 119.74 122.39 1bxr s LYS 214 Ca 0.64 1.14 0.03 0.00 0.02 0.00 0.00 55.97 57.80 1bxr s LYS 214 Cb -0.15 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1bxr s LYS 214 CO 0.53 -0.24 -0.20 -2.00 -0.92 0.00 0.00 175.35 172.52 1bxr s GLU 215 N -3.46 2.70 0.21 1.68 2.12 -1.26 0.48 118.70 121.17 1bxr s GLU 215 Ca 0.63 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 55.24 1bxr s GLU 215 Cb -0.11 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1bxr s GLU 215 CO 0.21 0.08 -0.02 0.71 -0.54 0.00 0.00 175.26 175.69 1bxr s TYR 216 N 0.59 1.48 0.02 5.30 2.02 0.71 -1.48 117.35 125.99 1bxr s TYR 216 Ca -0.14 -0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 55.62 1bxr s TYR 216 Cb -0.17 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 1bxr s TYR 216 CO 0.04 -0.03 0.08 -1.21 -1.57 0.00 0.00 175.55 172.87 1bxr s GLU 217 N -3.84 0.48 -0.01 -0.62 2.02 -0.99 -0.78 118.70 114.95 1bxr s GLU 217 Ca 0.26 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1bxr s GLU 217 Cb 0.05 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1bxr s GLU 217 CO 0.07 -0.11 -0.05 -1.64 0.02 0.00 0.00 175.26 173.55 1bxr s MET 218 N -1.82 0.49 -0.36 1.61 -1.94 -0.34 -1.51 119.30 115.43 1bxr s MET 218 Ca -0.12 -0.16 -0.13 0.00 -1.71 0.00 0.00 55.69 53.57 1bxr s MET 218 Cb -0.06 -0.49 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 1bxr s MET 218 CO -0.01 0.06 0.25 -1.21 -0.01 0.00 0.00 175.02 174.11 1bxr s GLU 219 N 0.14 3.35 0.04 2.03 0.41 -0.12 -1.18 118.70 123.37 1bxr s GLU 219 Ca -0.01 -0.74 0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1bxr s GLU 219 Cb -0.05 -3.84 -0.04 0.00 -1.78 0.00 0.00 34.13 28.42 1bxr s GLU 219 CO -0.00 -0.52 -0.01 0.08 -0.49 0.00 0.00 175.26 174.32 1bxr s VAL 220 N 1.71 4.05 -0.04 2.63 1.01 -0.60 0.31 120.40 129.46 1bxr s VAL 220 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1bxr s VAL 220 Cb -0.18 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1bxr s VAL 220 CO 0.10 0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.66 1bxr s VAL 221 N -1.18 1.05 -0.02 2.92 1.01 0.78 -1.89 120.40 123.07 1bxr s VAL 221 Ca 0.22 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1bxr s VAL 221 Cb -0.12 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1bxr s VAL 221 CO 0.14 0.32 -0.11 -0.60 0.00 0.00 0.00 175.10 174.85 1bxr s ARG 222 N 0.28 0.98 0.24 2.72 3.52 -0.40 -0.71 118.95 125.57 1bxr s ARG 222 Ca -0.06 -0.37 0.10 0.00 -0.13 0.00 0.00 55.73 55.27 1bxr s ARG 222 Cb -0.11 -0.93 -0.04 0.00 -1.56 0.00 0.00 34.95 32.31 1bxr s ARG 222 CO 0.02 0.19 -0.09 0.16 -0.81 0.00 0.00 175.30 174.76 1bxr s ASP 223 N -0.05 4.18 0.58 -2.12 1.47 -0.28 -0.78 116.67 119.68 1bxr s ASP 223 Ca 0.01 -0.72 0.31 0.00 1.18 0.00 0.00 52.55 53.32 1bxr s ASP 223 Cb -0.07 -0.65 1.39 0.00 -0.34 0.00 0.00 42.92 43.25 1bxr s ASP 223 CO 0.00 0.05 1.74 0.07 0.68 0.00 0.00 175.17 177.71 1bxr h LYS 224 N 2.36 0.00 -0.36 2.11 2.10 -1.72 0.84 116.57 121.90 1bxr h LYS 224 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1bxr h LYS 224 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1bxr h LYS 224 CO 0.58 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 1bxr n ASN 225 N -3.74 1.56 -0.44 7.07 4.13 -1.26 -4.83 115.26 117.75 1bxr n ASN 225 Ca 0.16 -2.06 -0.06 0.00 1.68 0.00 0.00 54.58 54.31 1bxr n ASN 225 Cb 1.02 -0.24 -0.02 0.00 -1.54 0.00 0.00 39.78 39.00 1bxr n ASN 225 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1bxr n ASP 226 N 0.23 -3.91 -4.75 6.41 2.03 0.29 -4.97 116.55 111.87 1bxr n ASP 226 Ca 0.09 0.14 -0.40 0.00 0.52 0.00 0.00 54.79 55.14 1bxr n ASP 226 Cb 0.27 -1.92 -0.05 0.00 -0.72 0.00 0.00 41.12 38.70 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 -2.73 7.43 -0.15 1.67 0.01 -1.21 -4.84 114.94 115.11 1bxr s ASN 227 Ca 0.00 2.13 -0.08 0.00 -0.71 0.00 0.00 52.86 54.21 1bxr s ASN 227 Cb 0.00 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.10 1bxr s ASN 227 CO 0.00 -0.01 0.36 0.00 -1.51 0.00 0.00 177.10 175.94 1bxr s ILE 229 N 1.54 1.23 -0.28 0.00 -4.36 0.11 -4.95 121.20 114.49 1bxr s ILE 229 Ca -0.08 -1.95 -0.12 0.00 -0.26 0.00 0.00 60.65 58.23 1bxr s ILE 229 Cb -0.09 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1bxr s ILE 229 CO -0.12 -0.64 0.26 -0.63 0.24 0.00 0.00 174.94 174.06 1bxr s ILE 230 N -2.92 5.26 0.02 8.37 -1.09 -1.26 -0.16 121.20 129.42 1bxr s ILE 230 Ca 0.14 0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 1bxr s ILE 230 Cb -0.00 -3.60 -0.25 0.00 -1.58 0.00 0.00 42.46 37.03 1bxr s ILE 230 CO 0.02 0.21 0.92 0.58 -1.23 0.00 0.00 174.94 175.43 1bxr h VAL 231 N 5.38 1.22 -1.77 2.92 2.07 -0.49 -3.38 116.25 122.21 1bxr h VAL 231 Ca -0.34 -2.93 0.02 0.00 0.82 0.00 0.00 66.70 64.27 1bxr h VAL 231 Cb 1.18 2.71 -0.22 0.00 -1.52 0.00 0.00 31.29 33.43 1bxr h VAL 231 CO 0.59 0.79 0.35 0.00 0.02 0.00 0.00 177.57 179.32 1bxr s SER 233 N -0.52 4.06 0.01 0.00 1.04 -1.26 -0.94 113.70 116.08 1bxr s SER 233 Ca -0.03 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1bxr s SER 233 Cb -0.02 -0.81 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 1bxr s SER 233 CO 0.02 0.30 -0.12 -0.63 0.98 0.00 0.00 173.24 173.79 1bxr s ILE 234 N -0.84 0.98 -0.14 -1.02 1.01 -0.57 -3.43 121.20 117.19 1bxr s ILE 234 Ca 0.14 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1bxr s ILE 234 Cb -0.11 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1bxr s ILE 234 CO 0.03 0.16 -0.20 -0.70 0.00 0.00 0.00 174.94 174.24 1bxr s GLU 235 N -0.60 2.77 0.30 2.79 2.12 0.96 -2.35 118.70 124.68 1bxr s GLU 235 Ca 0.03 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 1bxr s GLU 235 Cb -0.06 -2.29 -0.10 0.00 0.26 0.00 0.00 34.13 31.94 1bxr s GLU 235 CO 0.00 -0.06 1.12 -0.80 -0.54 0.00 0.00 175.26 174.98 1bxr s ASN 236 N 0.96 7.16 -0.10 -1.70 0.02 -0.55 -0.69 114.94 120.05 1bxr s ASN 236 Ca -0.05 2.30 -0.27 0.00 -1.02 0.00 0.00 52.86 53.82 1bxr s ASN 236 Cb -0.15 -2.63 -0.23 0.00 0.02 0.00 0.00 41.25 38.26 1bxr s ASN 236 CO -0.04 -0.22 0.93 0.15 0.02 0.00 0.00 177.10 177.94 1bxr h PHE 237 N 3.65 -0.01 -3.60 2.20 3.57 -0.96 -3.43 116.94 118.35 1bxr h PHE 237 Ca -0.47 -0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.52 1bxr h PHE 237 Cb 1.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1bxr h PHE 237 CO 0.58 0.79 0.38 -0.51 -2.23 0.00 0.00 178.31 177.31 1bxr s ASP 238 N -6.01 7.49 1.14 0.41 1.01 -1.22 -4.44 116.67 115.05 1bxr s ASP 238 Ca -0.17 1.87 -0.12 0.00 0.71 0.00 0.00 52.55 54.83 1bxr s ASP 238 Cb -0.01 -2.59 0.18 0.00 1.01 0.00 0.00 42.92 41.50 1bxr s ASP 238 CO 0.67 -0.04 0.67 0.00 0.21 0.00 0.00 175.17 176.67 1bxr n ALA 239 N 2.47 -1.95 -1.76 5.23 0.00 -1.26 -4.75 120.51 118.48 1bxr n ALA 239 Ca 0.02 -0.98 -0.39 0.00 0.00 0.00 0.00 53.44 52.08 1bxr n ALA 239 Cb 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.51 3.75 0.00 0.00 -1.94 -0.88 -3.20 119.30 112.52 1bxr s MET 240 Ca 0.43 2.22 0.00 0.00 -1.71 0.00 0.00 55.69 56.62 1bxr s MET 240 Cb -0.04 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.17 1bxr s MET 240 CO 0.32 -0.69 0.00 0.41 -0.01 0.00 0.00 175.02 175.05 1bxr n GLY 241 N 0.63 2.06 2.97 -0.03 0.00 -1.26 -2.08 105.19 107.48 1bxr n GLY 241 Ca 0.05 0.00 -0.29 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 -2.10 1.41 0.27 -0.61 1.01 -1.19 -3.34 121.20 116.65 1bxr s ILE 242 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 1bxr s ILE 242 Cb 0.00 -1.44 -0.16 0.00 0.01 0.00 0.00 42.46 40.87 1bxr s ILE 242 CO 0.00 0.29 0.57 1.57 0.00 0.00 0.00 174.94 177.37 1bxr n HIS 243 N 4.79 -0.33 -0.37 3.97 -0.00 0.79 -4.69 115.22 119.38 1bxr n HIS 243 Ca -0.15 0.83 0.02 0.00 -0.00 0.00 0.00 57.72 58.42 1bxr n HIS 243 Cb 0.48 -2.00 0.17 0.00 -0.00 0.00 0.00 29.99 28.64 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 1.09 1.11 0.00 3.57 1.35 -1.92 -0.40 112.91 117.71 1bxr h THR 244 Ca -0.33 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1bxr h THR 244 Cb 1.42 -0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1bxr h THR 244 CO 0.56 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1bxr n GLY 245 N -1.36 -1.15 0.73 5.82 0.00 -1.26 -1.53 105.19 106.44 1bxr n GLY 245 Ca 0.15 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1bxr n GLY 245 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxr n ASP 246 N -2.13 2.61 -4.85 1.61 9.92 -0.24 -4.75 116.55 118.73 1bxr n ASP 246 Ca 0.02 -1.76 -0.26 0.00 -0.53 0.00 0.00 54.79 52.25 1bxr n ASP 246 Cb 0.18 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.54 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 -1.29 5.82 0.20 -2.24 0.01 -0.58 -4.84 113.70 110.77 1bxr s SER 247 Ca 0.23 -0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 1bxr s SER 247 Cb 0.15 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.68 1bxr s SER 247 CO 0.21 0.07 1.05 -0.63 0.41 0.00 0.00 173.24 174.35 1bxr s ILE 248 N -1.73 3.93 0.10 1.44 1.01 -1.26 -4.42 121.20 120.27 1bxr s ILE 248 Ca 0.32 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.74 1bxr s ILE 248 Cb -0.11 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1bxr s ILE 248 CO 0.25 0.34 -0.05 0.42 0.00 0.00 0.00 174.94 175.90 1bxr s THR 249 N -0.57 0.64 0.07 2.92 -4.23 -0.61 -0.26 115.64 113.61 1bxr s THR 249 Ca 0.46 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1bxr s THR 249 Cb -0.28 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1bxr s THR 249 CO 0.35 -0.85 -0.11 0.68 -0.54 0.00 0.00 174.62 174.15 1bxr s VAL 250 N -3.66 0.87 -0.06 2.29 -7.23 0.14 -0.22 120.40 112.53 1bxr s VAL 250 Ca 0.13 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1bxr s VAL 250 Cb 0.06 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 1bxr s VAL 250 CO -0.04 -0.39 -0.21 0.00 -0.31 0.00 0.00 175.10 174.15 1bxr s ALA 251 N -1.71 1.84 0.65 1.32 0.00 -0.44 -0.03 121.76 123.39 1bxr s ALA 251 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1bxr s ALA 251 Cb -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1bxr s ALA 251 CO 0.01 0.32 0.00 -0.35 0.00 0.00 0.00 175.76 175.74 1bxr n PRO 252 N 3.18 1.59 -2.16 0.00 -0.04 -1.26 -1.77 135.00 134.54 1bxr n PRO 252 Ca -0.18 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 1bxr n PRO 252 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 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 -3.31 2.69 -0.04 0.55 0.00 -1.22 -4.25 121.76 116.18 1bxr s ALA 253 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1bxr s ALA 253 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1bxr s ALA 253 CO 0.00 -0.80 -0.03 1.04 0.00 0.00 0.00 175.76 175.97 1bxr n GLN 254 N -1.63 0.97 -1.12 0.00 1.13 -1.26 -4.85 117.38 110.62 1bxr n GLN 254 Ca 0.10 0.02 -0.17 0.00 -1.94 0.00 0.00 57.00 55.01 1bxr n GLN 254 Cb 0.52 -1.09 0.16 0.00 0.11 0.00 0.00 30.24 29.94 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 -2.50 2.93 -4.44 5.09 -2.24 -1.26 -4.97 114.28 106.88 1bxr n THR 255 Ca -0.08 -2.61 -0.31 0.00 -2.27 0.00 0.00 64.05 58.79 1bxr n THR 255 Cb 0.59 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.37 2.89 0.60 3.22 1.43 -1.26 -5.11 118.68 117.07 1bxr s LEU 256 Ca 0.52 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1bxr s LEU 256 Cb 0.45 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1bxr s LEU 256 CO 0.04 0.23 0.98 0.42 0.23 0.00 0.00 176.35 178.25 1bxr s THR 257 N -1.05 4.48 0.28 5.49 -4.23 -1.26 -4.81 115.64 114.53 1bxr s THR 257 Ca 0.18 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1bxr s THR 257 Cb -0.11 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.23 1bxr s THR 257 CO 0.09 -0.95 1.79 -0.78 -0.54 0.00 0.00 174.62 174.23 1bxr h ASP 258 N -0.25 0.73 -0.92 3.99 3.58 -1.99 0.16 116.42 121.72 1bxr h ASP 258 Ca -0.45 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.13 1bxr h ASP 258 Cb 1.21 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 42.14 1bxr h ASP 258 CO 0.62 0.33 0.59 0.11 -2.88 0.00 0.00 179.24 178.01 1bxr h LYS 259 N 0.78 1.07 -0.21 0.28 1.57 -2.00 -0.19 116.57 117.87 1bxr h LYS 259 Ca 0.50 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 59.05 1bxr h LYS 259 Cb 0.66 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bxr h LYS 259 CO -0.33 0.71 -0.56 0.93 -0.57 0.00 0.00 179.45 179.62 1bxr h GLU 260 N 1.10 0.64 -0.49 3.15 5.08 -1.35 -3.11 114.58 119.59 1bxr h GLU 260 Ca 0.39 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1bxr h GLU 260 Cb 0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1bxr h GLU 260 CO -0.15 1.03 0.21 -0.92 -1.00 0.00 0.00 179.01 178.17 1bxr h TYR 261 N 0.48 0.74 -0.68 4.33 5.03 0.20 -2.55 116.97 124.53 1bxr h TYR 261 Ca 0.01 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.29 1bxr h TYR 261 Cb 1.13 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 39.15 1bxr h TYR 261 CO 0.05 0.61 0.43 1.96 -1.32 0.00 0.00 178.16 179.90 1bxr h GLN 262 N 0.65 0.84 -0.43 1.82 1.08 -1.05 0.65 115.11 118.68 1bxr h GLN 262 Ca 0.17 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1bxr h GLN 262 Cb 0.17 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1bxr h GLN 262 CO -0.02 0.56 0.24 0.82 -0.95 0.00 0.00 178.83 179.48 1bxr h ILE 263 N 0.87 1.15 -0.70 2.54 2.04 -1.50 0.70 117.51 122.60 1bxr h ILE 263 Ca 0.26 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1bxr h ILE 263 Cb -0.03 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1bxr h ILE 263 CO -0.09 0.16 0.21 -0.03 0.00 0.00 0.00 178.15 178.40 1bxr h MET 264 N 0.57 1.10 0.18 2.37 4.05 -0.96 0.44 114.93 122.67 1bxr h MET 264 Ca 0.15 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1bxr h MET 264 Cb 0.04 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1bxr h MET 264 CO -0.03 0.95 -0.09 -0.09 0.23 0.00 0.00 176.91 177.89 1bxr h ARG 265 N 1.04 -0.23 0.15 0.39 2.43 0.91 0.03 114.38 119.08 1bxr h ARG 265 Ca 0.22 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1bxr h ARG 265 Cb 0.32 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1bxr h ARG 265 CO -0.00 -0.12 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.27 1bxr h ASN 266 N -0.28 -0.40 -0.85 -3.80 -0.26 0.78 -2.50 115.58 108.27 1bxr h ASN 266 Ca -0.02 0.04 0.20 0.00 -0.56 0.00 0.00 56.30 55.95 1bxr h ASN 266 Cb 0.22 0.14 -0.12 0.00 -1.06 0.00 0.00 38.32 37.50 1bxr h ASN 266 CO 0.04 -0.23 0.33 0.00 -1.06 0.00 0.00 177.43 176.51 1bxr h ALA 267 N 0.49 1.29 -0.22 -0.83 0.00 -0.02 0.57 119.26 120.53 1bxr h ALA 267 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1bxr h ALA 267 Cb 0.31 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1bxr h ALA 267 CO -0.04 -0.33 0.07 0.77 0.00 0.00 0.00 179.25 179.72 1bxr h SER 268 N 0.37 0.07 -0.49 0.00 0.02 -0.57 -0.34 113.55 112.61 1bxr h SER 268 Ca 0.52 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.37 1bxr h SER 268 Cb 0.95 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1bxr h SER 268 CO -0.52 0.07 -0.17 0.24 -1.14 0.00 0.00 176.83 175.30 1bxr h MET 269 N 0.17 0.98 -0.64 3.45 2.86 -0.57 -2.78 114.93 118.40 1bxr h MET 269 Ca 0.10 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1bxr h MET 269 Cb 0.07 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1bxr h MET 269 CO -0.11 1.08 0.37 0.00 1.06 0.00 0.00 176.91 179.31 1bxr h ALA 270 N 0.88 1.45 -0.10 6.32 0.00 -0.84 -1.90 119.26 125.07 1bxr h ALA 270 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bxr h ALA 270 Cb 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1bxr h ALA 270 CO 0.06 0.47 -0.02 0.28 0.00 0.00 0.00 179.25 180.04 1bxr h VAL 271 N 0.89 0.91 -0.34 0.00 2.07 -0.81 0.90 116.25 119.87 1bxr h VAL 271 Ca 0.23 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 1bxr h VAL 271 Cb -0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1bxr h VAL 271 CO -0.04 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.67 1bxr h LEU 272 N 0.01 0.30 -0.42 2.57 4.07 -1.15 0.33 115.31 121.01 1bxr h LEU 272 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1bxr h LEU 272 Cb 0.07 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1bxr h LEU 272 CO -0.09 0.22 0.28 0.03 -1.08 0.00 0.00 178.44 177.79 1bxr h ARG 273 N 0.39 0.56 -0.34 1.13 3.08 -1.21 0.11 114.38 118.10 1bxr h ARG 273 Ca 0.14 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 1bxr h ARG 273 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1bxr h ARG 273 CO -0.08 0.37 -0.27 1.49 -1.07 0.00 0.00 179.97 180.42 1bxr h GLU 274 N 0.57 0.77 -0.26 0.04 4.57 -0.46 -3.03 114.58 116.79 1bxr h GLU 274 Ca 0.15 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 1bxr h GLU 274 Cb -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1bxr h GLU 274 CO -0.03 1.01 -0.06 0.82 -1.18 0.00 0.00 179.01 179.57 1bxr h ILE 275 N 0.55 1.19 0.00 2.32 5.03 -0.77 -3.47 117.51 122.36 1bxr h ILE 275 Ca 0.06 -0.78 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1bxr h ILE 275 Cb 0.84 1.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.68 1bxr h ILE 275 CO 0.07 0.26 0.00 0.61 -0.68 0.00 0.00 178.15 178.41 1bxr n GLY 276 N -0.87 1.12 3.45 5.37 0.00 0.28 -4.23 105.19 110.31 1bxr n GLY 276 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 5.19 -0.03 1.61 1.01 -0.67 -4.62 120.40 120.89 1bxr s VAL 277 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1bxr s VAL 277 Cb 0.00 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 1bxr s VAL 277 CO 0.00 -0.44 0.14 -0.62 0.00 0.00 0.00 175.10 174.19 1bxr n GLU 278 N 5.34 0.84 -2.40 2.72 1.02 -1.26 -4.60 120.64 122.30 1bxr n GLU 278 Ca -0.10 -0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.77 1bxr n GLU 278 Cb 0.46 -1.19 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.90 2.11 -3.99 2.62 -2.24 -1.24 -2.28 114.28 107.35 1bxr n THR 279 Ca -0.04 -4.24 0.00 0.00 -2.27 0.00 0.00 64.05 57.51 1bxr n THR 279 Cb 0.34 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.50 0.38 3.94 3.38 0.00 0.04 -3.41 105.19 109.03 1bxr n GLY 280 Ca 0.33 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.04 1.45 0.18 -0.02 0.00 -1.26 -1.28 107.32 103.34 1bxr s GLY 281 Ca 0.02 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 43.62 1bxr s GLY 281 CO -0.00 -0.84 0.63 -0.56 0.00 0.00 0.00 173.10 172.33 1bxr s SER 282 N -3.80 -0.52 -0.10 1.64 0.01 -0.79 -3.75 113.70 106.39 1bxr s SER 282 Ca 0.40 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1bxr s SER 282 Cb -0.10 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.73 1bxr s SER 282 CO 0.34 -1.02 -0.11 0.21 0.41 0.00 0.00 173.24 173.06 1bxr s ASN 283 N -2.77 4.21 -0.11 2.44 3.84 -1.07 -1.56 114.94 119.91 1bxr s ASN 283 Ca 0.03 -0.22 0.03 0.00 0.21 0.00 0.00 52.86 52.91 1bxr s ASN 283 Cb -0.02 -1.38 0.00 0.00 -0.55 0.00 0.00 41.25 39.30 1bxr s ASN 283 CO -0.10 0.24 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.54 1bxr s VAL 284 N -0.08 2.15 0.06 -5.21 1.01 -0.33 -1.94 120.40 116.06 1bxr s VAL 284 Ca -0.01 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1bxr s VAL 284 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1bxr s VAL 284 CO 0.03 0.55 -0.03 -1.10 0.00 0.00 0.00 175.10 174.55 1bxr s GLN 285 N 0.46 2.50 0.05 2.72 -0.21 -0.21 -1.20 119.66 123.76 1bxr s GLN 285 Ca -0.15 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.42 1bxr s GLN 285 Cb -0.17 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1bxr s GLN 285 CO 0.06 0.56 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.68 1bxr s PHE 286 N -1.19 0.59 -0.06 0.91 0.08 0.04 -0.15 117.98 118.19 1bxr s PHE 286 Ca 0.22 -0.72 0.04 0.00 0.12 0.00 0.00 56.93 56.59 1bxr s PHE 286 Cb -0.11 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.94 1bxr s PHE 286 CO 0.14 -0.19 -0.18 0.00 -0.10 0.00 0.00 175.22 174.89 1bxr s ALA 287 N -2.45 2.48 -0.08 5.36 0.00 -0.14 -0.21 121.76 126.71 1bxr s ALA 287 Ca -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1bxr s ALA 287 Cb -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1bxr s ALA 287 CO -0.03 0.48 -0.21 0.08 0.00 0.00 0.00 175.76 176.07 1bxr s VAL 288 N -0.43 1.80 -0.53 0.00 1.01 0.18 -1.79 120.40 120.64 1bxr s VAL 288 Ca 0.05 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 1bxr s VAL 288 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1bxr s VAL 288 CO 0.02 0.50 1.03 0.21 0.00 0.00 0.00 175.10 176.86 1bxr s ASN 289 N 0.36 6.43 0.62 3.32 3.84 -0.62 0.12 114.94 129.01 1bxr s ASN 289 Ca -0.16 -0.04 0.31 0.00 0.21 0.00 0.00 52.86 53.18 1bxr s ASN 289 Cb -0.17 -2.48 1.69 0.00 -0.55 0.00 0.00 41.25 39.74 1bxr s ASN 289 CO 0.07 -1.26 2.03 1.55 -2.79 0.00 0.00 177.10 176.69 1bxr h PRO 290 N 9.32 0.00 0.05 0.43 0.13 -1.93 1.18 132.00 141.18 1bxr h PRO 290 Ca -0.25 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.65 1bxr h PRO 290 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1bxr h PRO 290 CO 1.11 0.00 -1.07 0.87 -0.23 0.00 0.00 178.00 178.67 1bxr h LYS 291 N 0.00 0.12 0.00 0.86 1.57 -1.99 -3.40 116.57 113.73 1bxr h LYS 291 Ca 0.08 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1bxr h LYS 291 Cb 0.65 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1bxr h LYS 291 CO -0.00 1.07 0.00 0.27 -0.57 0.00 0.00 179.45 180.22 1bxr n ASN 292 N -3.45 0.37 0.00 0.86 0.23 0.19 -4.99 115.26 108.48 1bxr n ASN 292 Ca -0.03 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 1bxr n ASN 292 Cb 0.96 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 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 -0.08 0.50 3.63 4.83 0.00 0.38 -4.93 105.19 109.52 1bxr n GLY 293 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.80 1.63 -4.42 1.61 0.63 -1.21 -4.65 116.66 108.45 1bxr n ARG 294 Ca 0.00 0.59 -0.34 0.00 -0.92 0.00 0.00 57.85 57.18 1bxr n ARG 294 Cb 0.07 -2.25 -0.13 0.00 0.45 0.00 0.00 32.46 30.60 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 0.60 3.06 -0.07 6.15 2.96 -1.26 -1.58 118.68 128.53 1bxr s LEU 295 Ca 0.78 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1bxr s LEU 295 Cb -0.80 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.16 1bxr s LEU 295 CO 0.45 0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.82 1bxr s ILE 296 N 0.54 1.47 -0.02 6.68 1.01 -0.74 -4.44 121.20 125.70 1bxr s ILE 296 Ca -0.04 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 1bxr s ILE 296 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1bxr s ILE 296 CO 0.03 0.43 0.84 -0.69 0.00 0.00 0.00 174.94 175.55 1bxr s VAL 297 N 0.41 4.91 -0.20 2.92 1.01 0.36 -0.97 120.40 128.84 1bxr s VAL 297 Ca -0.13 1.76 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1bxr s VAL 297 Cb -0.15 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 1bxr s VAL 297 CO 0.05 0.23 -0.15 -0.38 0.00 0.00 0.00 175.10 174.84 1bxr n ILE 298 N 3.68 1.50 -3.95 2.22 2.08 0.79 -4.53 119.36 121.14 1bxr n ILE 298 Ca 0.02 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1bxr n ILE 298 Cb 0.51 -2.15 0.02 0.00 -0.75 0.00 0.00 39.64 37.26 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 0.81 -0.09 0.38 -1.05 -1.20 -5.00 118.70 110.06 1bxr s GLU 299 Ca -0.28 -0.52 -0.07 0.00 -0.15 0.00 0.00 54.97 53.94 1bxr s GLU 299 Cb 0.07 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1bxr s GLU 299 CO 0.44 -0.38 0.23 0.00 0.95 0.00 0.00 175.26 176.50 1bxr s MET 300 N -2.06 0.26 -0.26 -4.83 0.23 -1.26 -1.04 119.30 110.33 1bxr s MET 300 Ca 0.26 0.36 -0.03 0.00 -1.03 0.00 0.00 55.69 55.25 1bxr s MET 300 Cb -0.02 0.08 0.02 0.00 -1.53 0.00 0.00 34.83 33.39 1bxr s MET 300 CO 0.02 -0.06 -0.01 -0.80 -2.03 0.00 0.00 175.02 172.14 1bxr s ASN 301 N 0.32 4.58 -1.05 -1.18 0.01 -0.82 -4.76 114.94 112.05 1bxr s ASN 301 Ca -0.02 -0.80 -0.07 0.00 -0.71 0.00 0.00 52.86 51.26 1bxr s ASN 301 Cb -0.03 -1.74 -0.10 0.00 0.41 0.00 0.00 41.25 39.80 1bxr s ASN 301 CO -0.01 -0.14 2.61 -0.81 -1.51 0.00 0.00 177.10 177.23 1bxr n PRO 302 N 4.74 2.66 0.00 -0.60 -0.05 -1.26 -2.59 135.00 137.89 1bxr n PRO 302 Ca -0.16 -1.64 0.00 0.00 -0.05 0.00 0.00 63.50 61.65 1bxr n PRO 302 Cb 0.47 -2.50 0.00 0.00 -0.05 0.00 0.00 33.50 31.43 1bxr n PRO 302 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 1bxr n ARG 303 N 3.67 -1.84 -1.59 0.54 1.85 -1.25 -4.90 116.66 113.15 1bxr n ARG 303 Ca 0.57 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 57.08 1bxr n ARG 303 Cb 0.27 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.76 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 -2.00 2.76 0.15 8.89 -7.23 -1.17 -4.36 120.40 117.44 1bxr s VAL 304 Ca 0.00 0.37 0.03 0.00 -1.81 0.00 0.00 61.98 60.56 1bxr s VAL 304 Cb 0.00 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1bxr s VAL 304 CO 0.00 -0.21 0.11 -1.54 -0.31 0.00 0.00 175.10 173.15 1bxr n SER 305 N -2.57 -0.03 0.18 4.85 3.41 -1.26 -4.73 113.62 113.47 1bxr n SER 305 Ca 0.12 -1.92 0.04 0.00 -0.26 0.00 0.00 58.87 56.85 1bxr n SER 305 Cb 0.51 0.65 0.31 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.00 -0.04 4.33 0.11 -1.96 -2.50 114.38 114.32 1bxr h ARG 306 Ca -0.10 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.74 1bxr h ARG 306 Cb 0.50 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.59 1bxr h ARG 306 CO 0.16 0.43 -0.93 0.77 0.10 0.00 0.00 179.97 180.50 1bxr h SER 307 N 0.00 0.77 -0.15 0.08 0.02 -1.98 -2.47 113.55 109.82 1bxr h SER 307 Ca -0.00 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1bxr h SER 307 Cb 0.90 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1bxr h SER 307 CO 0.06 1.37 0.08 0.77 -1.14 0.00 0.00 176.83 177.97 1bxr h SER 308 N 0.37 0.22 0.21 3.07 4.64 -1.85 0.71 113.55 120.90 1bxr h SER 308 Ca -0.09 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1bxr h SER 308 Cb 1.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1bxr h SER 308 CO 0.18 0.20 -0.10 0.00 -0.87 0.00 0.00 176.83 176.23 1bxr h ALA 309 N 1.84 -0.28 -0.36 5.18 0.00 -1.30 -0.22 119.26 124.11 1bxr h ALA 309 Ca 0.06 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1bxr h ALA 309 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1bxr h ALA 309 CO -0.01 -0.49 0.13 1.25 0.00 0.00 0.00 179.25 180.13 1bxr h LEU 310 N -0.62 0.14 -1.68 0.00 5.85 -0.88 -1.06 115.31 117.05 1bxr h LEU 310 Ca -0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1bxr h LEU 310 Cb 0.45 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1bxr h LEU 310 CO 0.05 0.11 0.19 0.00 -0.34 0.00 0.00 178.44 178.45 1bxr h ALA 311 N 1.23 1.77 -0.35 1.25 0.00 0.44 0.50 119.26 124.10 1bxr h ALA 311 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1bxr h ALA 311 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bxr h ALA 311 CO -0.17 0.21 -0.07 0.77 0.00 0.00 0.00 179.25 179.99 1bxr h SER 312 N 0.41 0.67 0.50 0.00 0.02 0.16 -1.60 113.55 113.70 1bxr h SER 312 Ca 0.11 -0.36 -0.19 0.00 -0.84 0.00 0.00 61.79 60.51 1bxr h SER 312 Cb -0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1bxr h SER 312 CO -0.02 0.87 -0.83 0.11 -1.14 0.00 0.00 176.83 175.81 1bxr h LYS 313 N 0.45 0.24 -0.36 3.45 1.79 -0.47 0.25 116.57 121.91 1bxr h LYS 313 Ca 0.09 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1bxr h LYS 313 Cb 0.57 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1bxr h LYS 313 CO 0.03 0.94 0.06 0.00 -1.08 0.00 0.00 179.45 179.41 1bxr h ALA 314 N 0.98 0.48 0.00 3.86 0.00 0.06 -3.33 119.26 121.31 1bxr h ALA 314 Ca -0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1bxr h ALA 314 Cb 1.44 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1bxr h ALA 314 CO 0.13 0.19 -1.94 0.25 0.00 0.00 0.00 179.25 177.88 1bxr n THR 315 N -4.56 1.22 -0.58 0.00 -2.24 -0.61 -5.00 114.28 102.51 1bxr n THR 315 Ca -0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1bxr n THR 315 Cb 0.23 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.56 0.70 3.43 3.38 0.00 0.86 -3.35 105.19 111.77 1bxr n GLY 316 Ca -0.20 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 3.24 -0.93 1.61 2.19 -1.11 -4.71 117.98 116.26 1bxr s PHE 317 Ca 0.00 -0.73 -0.22 0.00 0.33 0.00 0.00 56.93 56.31 1bxr s PHE 317 Cb 0.00 -2.88 -0.13 0.00 -1.31 0.00 0.00 43.02 38.71 1bxr s PHE 317 CO 0.00 -0.69 1.93 -0.35 1.83 0.00 0.00 175.22 177.93 1bxr n PRO 318 N 5.21 1.61 -0.09 10.12 -0.04 -1.26 -4.35 135.00 146.20 1bxr n PRO 318 Ca -0.11 -2.10 -0.08 0.00 -0.04 0.00 0.00 63.50 61.16 1bxr n PRO 318 Cb 0.45 -3.20 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 1bxr n PRO 318 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1bxr h ILE 319 N 5.04 0.00 -0.96 0.52 2.04 -1.92 0.35 117.51 122.58 1bxr h ILE 319 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1bxr h ILE 319 Cb 0.76 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1bxr h ILE 319 CO 1.71 0.00 0.63 0.00 0.00 0.00 0.00 178.15 180.49 1bxr h ALA 320 N -0.52 1.26 -0.56 1.87 0.00 -1.92 0.45 119.26 119.85 1bxr h ALA 320 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1bxr h ALA 320 Cb 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1bxr h ALA 320 CO -0.37 0.54 0.24 -0.22 0.00 0.00 0.00 179.25 179.44 1bxr h LYS 321 N 1.25 0.43 0.59 0.00 3.64 -1.64 0.35 116.57 121.20 1bxr h LYS 321 Ca 0.37 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1bxr h LYS 321 Cb -0.05 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1bxr h LYS 321 CO -0.11 0.29 -0.28 0.28 -2.27 0.00 0.00 179.45 177.36 1bxr h VAL 322 N 0.45 0.16 -0.76 2.00 2.07 -0.11 -3.11 116.25 116.95 1bxr h VAL 322 Ca 0.27 -0.40 0.22 0.00 0.82 0.00 0.00 66.70 67.61 1bxr h VAL 322 Cb 0.26 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1bxr h VAL 322 CO -0.24 0.03 0.64 0.00 0.02 0.00 0.00 177.57 178.02 1bxr h ALA 323 N -1.00 2.62 0.72 1.67 0.00 0.10 -0.42 119.26 122.94 1bxr h ALA 323 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1bxr h ALA 323 Cb 0.65 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1bxr h ALA 323 CO 0.13 -1.03 -0.34 0.00 0.00 0.00 0.00 179.25 178.01 1bxr h ALA 324 N 1.44 -1.05 -0.97 0.00 0.00 -0.88 -1.64 119.26 116.16 1bxr h ALA 324 Ca 0.36 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.25 1bxr h ALA 324 Cb 1.64 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 19.69 1bxr h ALA 324 CO -0.00 -0.98 0.56 0.87 0.00 0.00 0.00 179.25 179.70 1bxr h LYS 325 N -1.15 0.67 -0.41 0.00 1.57 -1.07 0.38 116.57 116.56 1bxr h LYS 325 Ca -0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1bxr h LYS 325 Cb 0.74 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1bxr h LYS 325 CO 0.16 0.44 0.11 -0.07 -0.57 0.00 0.00 179.45 179.53 1bxr h LEU 326 N 0.69 0.55 -2.47 2.94 4.07 -1.08 -0.63 115.31 119.39 1bxr h LEU 326 Ca 0.56 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.44 1bxr h LEU 326 Cb 0.90 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 1bxr h LEU 326 CO -0.40 0.55 -0.02 0.00 -1.08 0.00 0.00 178.44 177.48 1bxr h ALA 327 N 1.53 1.33 -0.78 1.53 0.00 0.76 -2.41 119.26 121.22 1bxr h ALA 327 Ca 0.14 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.62 1bxr h ALA 327 Cb 0.21 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.75 1bxr h ALA 327 CO -0.01 0.03 0.41 1.33 0.00 0.00 0.00 179.25 181.01 1bxr n VAL 328 N -3.59 3.00 0.00 0.00 0.24 -0.31 -4.40 118.33 113.27 1bxr n VAL 328 Ca -0.03 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.05 1bxr n VAL 328 Cb 0.11 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.14 3.43 3.75 7.63 0.00 -0.91 -1.18 105.19 116.78 1bxr n GLY 329 Ca 0.51 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.93 2.37 0.17 1.61 2.02 -0.81 -4.56 117.35 115.21 1bxr s TYR 330 Ca 0.00 1.51 0.09 0.00 -0.37 0.00 0.00 57.07 58.30 1bxr s TYR 330 Cb 0.00 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.02 1bxr s TYR 330 CO 0.00 -2.27 -0.11 0.95 -1.57 0.00 0.00 175.55 172.56 1bxr s THR 331 N -1.57 3.14 0.30 -0.71 -4.23 -1.26 -4.27 115.64 107.03 1bxr s THR 331 Ca 0.78 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 1bxr s THR 331 Cb -0.31 -2.53 0.29 0.00 1.34 0.00 0.00 72.50 71.29 1bxr s THR 331 CO 0.33 -0.06 1.78 -0.07 -0.54 0.00 0.00 174.62 176.06 1bxr h LEU 332 N 3.09 0.77 -0.97 4.79 3.38 -1.94 -1.49 115.31 122.94 1bxr h LEU 332 Ca -0.47 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1bxr h LEU 332 Cb 1.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1bxr h LEU 332 CO 0.53 0.29 -0.48 -2.24 0.09 0.00 0.00 178.44 176.63 1bxr h ASP 333 N 0.77 0.00 1.54 -0.43 2.03 -1.92 -2.22 116.42 116.18 1bxr h ASP 333 Ca 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1bxr h ASP 333 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1bxr h ASP 333 CO -0.37 0.48 0.00 -0.33 -1.03 0.00 0.00 179.24 177.98 1bxr h GLU 334 N 0.00 0.00 -5.99 4.15 5.08 -1.69 -3.43 114.58 112.70 1bxr h GLU 334 Ca -0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.74 1bxr h GLU 334 Cb 0.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 1bxr h GLU 334 CO 0.06 0.00 -0.31 -0.51 -1.00 0.00 0.00 179.01 177.25 1bxr s LEU 335 N -5.59 4.37 0.19 1.33 1.43 -1.06 -4.97 118.68 114.38 1bxr s LEU 335 Ca 0.06 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1bxr s LEU 335 Cb 0.08 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1bxr s LEU 335 CO 0.60 0.23 0.37 -0.04 0.23 0.00 0.00 176.35 177.74 1bxr s MET 336 N -1.72 3.52 -0.48 1.70 -1.94 -1.26 0.06 119.30 119.17 1bxr s MET 336 Ca 0.29 -0.34 -0.26 0.00 -1.71 0.00 0.00 55.69 53.67 1bxr s MET 336 Cb -0.14 -2.86 0.03 0.00 2.01 0.00 0.00 34.83 33.87 1bxr s MET 336 CO 0.16 0.43 1.00 1.21 -0.01 0.00 0.00 175.02 177.80 1bxr s ASN 337 N -3.06 6.51 0.19 3.03 2.47 0.19 -4.58 114.94 119.69 1bxr s ASN 337 Ca 0.38 0.16 -0.26 0.00 0.42 0.00 0.00 52.86 53.57 1bxr s ASN 337 Cb -0.11 -2.48 0.05 0.00 -1.45 0.00 0.00 41.25 37.26 1bxr s ASN 337 CO 0.28 -1.15 1.54 0.47 -3.72 0.00 0.00 177.10 174.53 1bxr n ASP 338 N 7.45 -0.89 0.16 -4.21 8.00 -1.26 -1.60 116.55 124.20 1bxr n ASP 338 Ca 0.07 1.76 0.13 0.00 0.71 0.00 0.00 54.79 57.46 1bxr n ASP 338 Cb 0.49 -0.30 0.33 0.00 -0.02 0.00 0.00 41.12 41.62 1bxr n ASP 338 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1bxr h ILE 339 N 0.00 0.00 -0.36 0.53 3.07 -1.92 -3.14 117.51 115.69 1bxr h ILE 339 Ca 0.23 -0.67 -0.07 0.00 1.55 0.00 0.00 64.86 65.91 1bxr h ILE 339 Cb 0.48 1.65 -0.04 0.00 -0.27 0.00 0.00 36.82 38.64 1bxr h ILE 339 CO -0.96 0.00 0.09 0.35 -1.05 0.00 0.00 178.15 176.58 1bxr n THR 340 N -2.63 1.63 -3.25 0.16 -2.24 -0.92 -3.60 114.28 103.42 1bxr n THR 340 Ca 0.04 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 1bxr n THR 340 Cb 0.45 -0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.15 -0.23 3.67 3.38 0.00 -1.19 -2.46 105.19 108.51 1bxr n GLY 341 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.62 0.25 0.20 -0.02 0.00 -0.63 -4.84 105.19 98.54 1bxr n GLY 342 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.74 -0.08 -6.12 1.61 3.08 -1.71 -3.42 114.38 108.48 1bxr h ARG 343 Ca 0.00 0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 1bxr h ARG 343 Cb 0.05 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1bxr h ARG 343 CO 0.00 -0.05 -0.52 0.95 -1.07 0.00 0.00 179.97 179.27 1bxr s THR 344 N -6.17 4.87 1.18 2.04 -4.23 -1.26 -4.99 115.64 107.08 1bxr s THR 344 Ca -0.14 -0.87 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1bxr s THR 344 Cb 0.14 -3.48 0.29 0.00 1.34 0.00 0.00 72.50 70.78 1bxr s THR 344 CO 0.70 -0.08 1.11 -0.81 -0.54 0.00 0.00 174.62 175.00 1bxr n PRO 345 N -0.35 -2.89 0.05 3.99 -0.04 -1.26 0.53 135.00 135.03 1bxr n PRO 345 Ca -0.08 -1.77 0.11 0.00 -0.04 0.00 0.00 63.50 61.73 1bxr n PRO 345 Cb 0.54 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.72 2.95 -1.81 0.55 0.00 0.11 -3.79 120.51 113.80 1bxr n ALA 346 Ca -0.20 -0.35 -0.40 0.00 0.00 0.00 0.00 53.44 52.49 1bxr n ALA 346 Cb 0.58 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.28 3.54 -3.46 0.00 3.41 -0.89 -4.83 113.62 109.10 1bxr n SER 347 Ca 0.00 -2.78 -0.11 0.00 -0.26 0.00 0.00 58.87 55.72 1bxr n SER 347 Cb 0.50 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 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 5.55 -0.49 -0.24 7.33 -0.71 -1.26 -4.95 117.98 123.21 1bxr s PHE 348 Ca 0.56 0.27 -0.10 0.00 -1.04 0.00 0.00 56.93 56.63 1bxr s PHE 348 Cb 0.09 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.42 1bxr s PHE 348 CO 0.06 -0.82 0.14 -1.21 -1.34 0.00 0.00 175.22 172.04 1bxr s GLU 349 N -3.66 3.97 0.67 1.99 2.02 -1.26 -4.85 118.70 117.57 1bxr s GLU 349 Ca 0.02 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 54.53 1bxr s GLU 349 Cb -0.01 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1bxr s GLU 349 CO -0.11 -0.00 1.19 -2.14 0.02 0.00 0.00 175.26 174.22 1bxr s PRO 350 N 1.20 2.56 -0.02 0.39 0.02 -1.26 -5.00 135.00 132.89 1bxr s PRO 350 Ca 0.07 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1bxr s PRO 350 Cb -0.14 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1bxr s PRO 350 CO 0.05 -1.50 0.02 0.45 -0.33 0.00 0.00 177.00 175.69 1bxr s SER 351 N -1.96 0.20 0.16 2.53 0.15 -0.09 -4.97 113.70 109.73 1bxr s SER 351 Ca 0.74 0.01 0.10 0.00 0.70 0.00 0.00 55.95 57.51 1bxr s SER 351 Cb -0.28 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1bxr s SER 351 CO 0.40 -0.11 -0.23 0.27 1.20 0.00 0.00 173.24 174.78 1bxr s ILE 352 N 0.98 2.11 -0.55 6.45 -4.36 -1.26 -0.49 121.20 124.07 1bxr s ILE 352 Ca -0.09 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1bxr s ILE 352 Cb -0.12 -1.95 0.42 0.00 1.25 0.00 0.00 42.46 42.05 1bxr s ILE 352 CO -0.02 -0.13 1.53 -0.90 0.24 0.00 0.00 174.94 175.66 1bxr n ASP 353 N 0.49 6.02 -3.34 4.36 5.68 -1.26 -4.88 116.55 123.62 1bxr n ASP 353 Ca -0.15 -3.77 -0.05 0.00 -0.50 0.00 0.00 54.79 50.32 1bxr n ASP 353 Cb 0.55 -0.68 0.01 0.00 -1.14 0.00 0.00 41.12 39.86 1bxr n ASP 353 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1bxr s TYR 354 N -3.75 0.03 -0.17 2.11 -0.85 -1.26 -4.86 117.35 108.60 1bxr s TYR 354 Ca 0.53 -0.50 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1bxr s TYR 354 Cb 0.43 0.73 0.01 0.00 0.38 0.00 0.00 41.96 43.52 1bxr s TYR 354 CO -0.17 -1.14 -0.19 0.08 -1.52 0.00 0.00 175.55 172.62 1bxr s VAL 355 N -2.57 2.19 -0.20 -3.49 1.01 0.94 -4.64 120.40 113.65 1bxr s VAL 355 Ca 0.17 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1bxr s VAL 355 Cb -0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1bxr s VAL 355 CO 0.07 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.16 1bxr s VAL 356 N 1.14 5.40 -0.07 2.92 1.01 -0.73 -1.34 120.40 128.72 1bxr s VAL 356 Ca 0.01 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1bxr s VAL 356 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1bxr s VAL 356 CO -0.08 0.43 -0.24 -0.89 0.00 0.00 0.00 175.10 174.31 1bxr s THR 357 N 0.40 2.08 -0.06 3.92 2.01 -0.59 -1.33 115.64 122.07 1bxr s THR 357 Ca 0.09 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.10 1bxr s THR 357 Cb -0.11 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1bxr s THR 357 CO -0.01 0.57 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.52 1bxr s LYS 358 N 0.03 2.55 -0.08 4.92 2.20 0.70 -1.37 119.74 128.69 1bxr s LYS 358 Ca -0.09 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.70 1bxr s LYS 358 Cb -0.15 -2.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1bxr s LYS 358 CO 0.06 0.45 -0.16 0.42 -0.36 0.00 0.00 175.35 175.76 1bxr s ILE 359 N -0.31 1.40 0.58 5.43 1.01 -0.72 -1.57 121.20 127.03 1bxr s ILE 359 Ca 0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 1bxr s ILE 359 Cb -0.13 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1bxr s ILE 359 CO 0.02 0.41 1.05 -2.16 0.00 0.00 0.00 174.94 174.27 1bxr s PRO 360 N 0.59 3.43 -0.13 2.79 0.04 -1.26 -0.64 135.00 139.82 1bxr s PRO 360 Ca -0.16 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1bxr s PRO 360 Cb -0.16 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1bxr s PRO 360 CO 0.05 -0.72 -0.11 0.50 0.04 0.00 0.00 177.00 176.77 1bxr s ARG 361 N -4.03 3.43 0.53 4.56 6.06 0.22 -4.86 118.95 124.86 1bxr s ARG 361 Ca 0.63 -0.65 0.03 0.00 -2.50 0.00 0.00 55.73 53.24 1bxr s ARG 361 Cb -0.15 -2.69 0.01 0.00 0.06 0.00 0.00 34.95 32.18 1bxr s ARG 361 CO 0.35 0.23 0.18 -0.06 -2.50 0.00 0.00 175.30 173.50 1bxr s PHE 362 N 0.31 1.74 -0.21 5.12 0.40 -1.26 -0.31 117.98 123.77 1bxr s PHE 362 Ca -0.09 -0.92 0.15 0.00 -0.60 0.00 0.00 56.93 55.47 1bxr s PHE 362 Cb -0.15 -1.74 0.36 0.00 0.51 0.00 0.00 43.02 42.00 1bxr s PHE 362 CO 0.05 -0.08 1.28 0.09 0.70 0.00 0.00 175.22 177.25 1bxr n ASN 363 N -1.49 -0.25 0.17 1.36 5.03 -1.26 -4.84 115.26 113.98 1bxr n ASN 363 Ca -0.12 -2.10 0.17 0.00 0.87 0.00 0.00 54.58 53.41 1bxr n ASN 363 Cb 0.66 0.17 0.79 0.00 -1.02 0.00 0.00 39.78 40.38 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 1.23 0.00 0.00 3.10 0.04 -1.93 -1.18 116.94 118.20 1bxr h PHE 364 Ca -0.36 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1bxr h PHE 364 Cb 1.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.54 1bxr h PHE 364 CO 0.09 0.00 -0.04 1.05 -0.60 0.00 0.00 178.31 178.81 1bxr h GLU 365 N 0.00 0.00 0.00 1.51 9.09 -1.98 -0.22 114.58 122.98 1bxr h GLU 365 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 1bxr h GLU 365 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1bxr h GLU 365 CO -0.00 0.04 -0.39 1.63 0.05 0.00 0.00 179.01 180.33 1bxr n LYS 366 N -3.31 0.28 -3.72 1.06 5.02 -0.45 -4.41 118.16 112.63 1bxr n LYS 366 Ca -0.02 0.13 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 1bxr n LYS 366 Cb 0.18 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 33.35 1bxr n LYS 366 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1bxr n PHE 367 N -2.16 2.11 0.43 2.13 3.72 -0.09 -4.98 117.46 118.61 1bxr n PHE 367 Ca 0.04 -4.02 -0.20 0.00 -0.05 0.00 0.00 57.45 53.22 1bxr n PHE 367 Cb 0.44 -0.38 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 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 5.33 -1.22 0.00 4.37 0.00 -1.77 -3.06 119.26 122.92 1bxr h ALA 368 Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bxr h ALA 368 Cb 0.79 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1bxr h ALA 368 CO 0.63 -1.20 -0.00 0.78 0.00 0.00 0.00 179.25 179.46 1bxr h GLY 369 N -1.18 0.00 -3.29 0.00 0.00 -1.92 -3.45 103.07 93.23 1bxr h GLY 369 Ca -0.10 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.71 1bxr h GLY 369 CO 0.12 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.18 1bxr s ALA 370 N -4.19 3.22 -0.03 3.60 0.00 -1.16 -4.64 121.76 118.56 1bxr s ALA 370 Ca -0.05 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1bxr s ALA 370 Cb 0.13 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1bxr s ALA 370 CO 0.44 -0.55 1.74 1.21 0.00 0.00 0.00 175.76 178.60 1bxr s ASN 371 N -1.00 6.60 -0.24 0.00 3.84 -1.26 -4.91 114.94 117.96 1bxr s ASN 371 Ca 0.55 2.34 0.14 0.00 0.21 0.00 0.00 52.86 56.10 1bxr s ASN 371 Cb -0.33 -2.53 0.70 0.00 -0.55 0.00 0.00 41.25 38.54 1bxr s ASN 371 CO 0.41 -0.97 1.65 -0.90 -2.79 0.00 0.00 177.10 174.50 1bxr n ASP 372 N 7.29 4.79 -4.88 -4.21 5.68 -1.26 -4.97 116.55 118.99 1bxr n ASP 372 Ca 0.18 -3.08 -0.32 0.00 -0.50 0.00 0.00 54.79 51.07 1bxr n ASP 372 Cb 0.42 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.70 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 -2.88 3.77 0.19 0.11 1.81 -1.26 -4.17 118.95 116.52 1bxr s ARG 373 Ca 0.51 0.20 -0.27 0.00 -1.72 0.00 0.00 55.73 54.45 1bxr s ARG 373 Cb 0.40 -2.72 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 1bxr s ARG 373 CO 0.12 0.37 0.82 -0.51 -0.68 0.00 0.00 175.30 175.42 1bxr s LEU 374 N -2.71 4.61 0.00 2.53 1.43 0.62 -4.95 118.68 120.21 1bxr s LEU 374 Ca 0.45 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1bxr s LEU 374 Cb -0.12 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1bxr s LEU 374 CO 0.22 0.20 0.00 1.07 0.23 0.00 0.00 176.35 178.06 1bxr n THR 375 N 1.56 0.00 0.85 5.49 5.66 -1.26 -4.84 114.28 121.74 1bxr n THR 375 Ca -0.05 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.07 1bxr n THR 375 Cb 0.48 0.00 0.53 0.00 -1.55 0.00 0.00 70.33 69.79 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 0.31 -3.94 1.09 -2.24 -1.21 -0.15 114.28 108.14 1bxr n THR 376 Ca 0.00 0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1bxr n THR 376 Cb 0.00 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.99 3.78 0.55 -0.78 0.74 -1.26 -4.25 119.66 115.45 1bxr s GLN 377 Ca 0.12 -0.43 -0.21 0.00 0.05 0.00 0.00 55.36 54.89 1bxr s GLN 377 Cb 0.16 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1bxr s GLN 377 CO 0.45 0.04 1.35 -1.64 -0.55 0.00 0.00 175.29 174.93 1bxr s MET 378 N 1.00 3.10 0.00 1.67 -1.94 -0.86 -4.87 119.30 117.40 1bxr s MET 378 Ca 0.04 2.21 0.00 0.00 -1.71 0.00 0.00 55.69 56.22 1bxr s MET 378 Cb -0.14 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.48 1bxr s MET 378 CO 0.03 -1.21 0.03 1.63 -0.01 0.00 0.00 175.02 175.48 1bxr n LYS 379 N -1.10 1.26 -2.12 2.03 5.02 -1.26 -4.88 118.16 117.10 1bxr n LYS 379 Ca 0.11 -0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 56.04 1bxr n LYS 379 Cb 0.45 -0.24 0.01 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.19 5.76 -0.09 4.39 1.04 -1.26 -4.73 113.70 118.62 1bxr s SER 380 Ca 0.00 1.93 0.15 0.00 0.48 0.00 0.00 55.95 58.51 1bxr s SER 380 Cb 0.00 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 63.34 1bxr s SER 380 CO 0.00 -1.18 0.20 1.33 0.98 0.00 0.00 173.24 174.57 1bxr n VAL 381 N -1.77 0.57 -2.74 5.02 0.24 0.58 -4.30 118.33 115.92 1bxr n VAL 381 Ca 0.10 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1bxr n VAL 381 Cb 0.52 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 1.80 3.58 3.56 7.63 0.00 -0.89 -4.60 105.19 116.27 1bxr n GLY 382 Ca -0.15 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 0.04 0.78 0.23 1.61 -1.05 -1.26 -0.61 118.70 118.43 1bxr s GLU 383 Ca 0.00 0.29 0.10 0.00 -0.15 0.00 0.00 54.97 55.21 1bxr s GLU 383 Cb 0.00 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1bxr s GLU 383 CO 0.00 -0.22 -0.11 0.54 0.95 0.00 0.00 175.26 176.42 1bxr s VAL 384 N -0.91 3.00 0.00 1.83 0.11 0.19 -4.31 120.40 120.32 1bxr s VAL 384 Ca -0.05 -1.94 0.03 0.00 -2.93 0.00 0.00 61.98 57.09 1bxr s VAL 384 Cb -0.01 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.29 1bxr s VAL 384 CO 0.04 -0.25 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.16 1bxr s MET 385 N -3.20 0.65 0.08 1.54 0.00 -0.53 -1.75 119.30 116.10 1bxr s MET 385 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 55.69 55.63 1bxr s MET 385 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 34.83 34.11 1bxr s MET 385 CO 0.16 0.16 -0.09 0.00 0.00 0.00 0.00 175.02 175.25 1bxr s ALA 386 N -0.34 0.95 -0.09 4.11 0.00 -0.47 -4.78 121.76 121.13 1bxr s ALA 386 Ca 0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1bxr s ALA 386 Cb -0.04 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1bxr s ALA 386 CO -0.00 -0.08 -0.20 0.42 0.00 0.00 0.00 175.76 175.89 1bxr s ILE 387 N -2.49 1.78 0.15 0.00 1.01 -1.26 -1.54 121.20 118.84 1bxr s ILE 387 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1bxr s ILE 387 Cb -0.02 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1bxr s ILE 387 CO -0.01 0.50 0.07 -0.83 0.00 0.00 0.00 174.94 174.66 1bxr s GLY 388 N 0.45 1.10 0.40 6.18 0.00 -0.45 -4.69 107.32 110.31 1bxr s GLY 388 Ca -0.17 -1.53 0.22 0.00 0.00 0.00 0.00 44.72 43.24 1bxr s GLY 388 CO 0.07 -1.38 1.55 3.21 0.00 0.00 0.00 173.10 176.55 1bxr h ARG 389 N 2.80 0.00 -4.56 2.90 2.47 -1.87 0.27 114.38 116.39 1bxr h ARG 389 Ca -0.35 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.16 1bxr h ARG 389 Cb 1.21 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.38 1bxr h ARG 389 CO 0.58 0.09 -0.67 0.95 0.56 0.00 0.00 179.97 181.47 1bxr s THR 390 N -3.17 0.47 0.20 2.04 -4.23 -1.26 -4.50 115.64 105.18 1bxr s THR 390 Ca 0.06 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1bxr s THR 390 Cb 0.06 -1.84 0.12 0.00 1.34 0.00 0.00 72.50 72.18 1bxr s THR 390 CO 0.69 -0.71 1.83 -0.61 -0.54 0.00 0.00 174.62 175.28 1bxr h GLN 391 N 2.91 0.73 -0.42 3.99 5.75 -1.89 0.31 115.11 126.49 1bxr h GLN 391 Ca -0.35 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 1bxr h GLN 391 Cb 1.18 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 1bxr h GLN 391 CO 0.63 0.49 -0.15 1.96 -2.65 0.00 0.00 178.83 179.11 1bxr h GLN 392 N 0.76 0.78 -0.16 1.69 4.20 -1.95 0.16 115.11 120.59 1bxr h GLN 392 Ca 0.26 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1bxr h GLN 392 Cb 0.03 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1bxr h GLN 392 CO -0.11 0.89 -0.11 1.49 -0.67 0.00 0.00 178.83 180.32 1bxr h GLU 393 N 0.70 0.36 -0.40 1.46 4.81 -1.46 -2.30 114.58 117.75 1bxr h GLU 393 Ca 0.11 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1bxr h GLU 393 Cb 0.65 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1bxr h GLU 393 CO 0.05 0.70 0.16 1.03 -0.73 0.00 0.00 179.01 180.21 1bxr h SER 394 N 0.02 0.19 -0.18 1.04 0.87 -0.13 -2.17 113.55 113.19 1bxr h SER 394 Ca 0.03 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1bxr h SER 394 Cb 0.61 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1bxr h SER 394 CO 0.03 0.15 -0.05 0.25 -0.53 0.00 0.00 176.83 176.68 1bxr h LEU 395 N 0.33 0.36 -1.01 2.23 5.85 -0.70 -1.87 115.31 120.50 1bxr h LEU 395 Ca 0.18 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1bxr h LEU 395 Cb 0.14 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1bxr h LEU 395 CO -0.17 0.64 -0.10 1.56 -0.34 0.00 0.00 178.44 180.04 1bxr h GLN 396 N 0.06 0.60 -0.49 1.25 4.20 -1.40 -0.62 115.11 118.73 1bxr h GLN 396 Ca 0.05 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1bxr h GLN 396 Cb 0.49 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1bxr h GLN 396 CO 0.02 0.70 0.15 0.87 -0.67 0.00 0.00 178.83 179.89 1bxr h LYS 397 N 0.56 0.76 -0.40 1.46 1.57 -1.34 -1.64 116.57 117.53 1bxr h LYS 397 Ca 0.10 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1bxr h LYS 397 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1bxr h LYS 397 CO 0.03 0.72 -0.14 0.00 -0.57 0.00 0.00 179.45 179.49 1bxr h ALA 398 N 1.00 1.00 -0.34 3.86 0.00 -0.87 -1.43 119.26 122.49 1bxr h ALA 398 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bxr h ALA 398 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1bxr h ALA 398 CO -0.00 0.60 0.19 -0.07 0.00 0.00 0.00 179.25 179.96 1bxr h LEU 399 N 0.66 0.30 -0.82 0.00 3.38 -0.80 -1.81 115.31 116.23 1bxr h LEU 399 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1bxr h LEU 399 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1bxr h LEU 399 CO 0.04 0.22 0.00 0.08 0.09 0.00 0.00 178.44 178.87 1bxr h ARG 400 N 0.39 0.00 -0.01 1.13 0.11 -1.14 -2.91 114.38 111.94 1bxr h ARG 400 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1bxr h ARG 400 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1bxr h ARG 400 CO -0.07 0.00 -0.14 0.41 0.10 0.00 0.00 179.97 180.27 1bxr n GLY 401 N 0.39 -0.10 0.29 0.08 0.00 -0.55 -4.09 105.19 101.19 1bxr n GLY 401 Ca 0.02 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 2.22 0.00 -1.26 0.99 5.85 -1.17 -3.40 115.31 118.55 1bxr h LEU 402 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1bxr h LEU 402 Cb 0.59 0.00 0.14 0.00 0.37 0.00 0.00 40.66 41.76 1bxr h LEU 402 CO 0.00 0.00 -0.65 -0.62 -0.34 0.00 0.00 178.44 176.84 1bxr n GLU 403 N -3.10 -6.58 -0.01 1.25 -0.58 -1.26 -4.81 120.64 105.56 1bxr n GLU 403 Ca 0.00 0.75 0.01 0.00 -0.42 0.00 0.00 57.16 57.51 1bxr n GLU 403 Cb 0.28 -5.53 0.02 0.00 -0.57 0.00 0.00 31.44 25.64 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 -4.30 1.03 -0.32 2.62 0.24 -1.26 -4.95 118.33 111.40 1bxr n VAL 404 Ca -0.12 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1bxr n VAL 404 Cb 0.60 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.58 0.67 3.77 7.63 0.00 -1.26 -5.05 105.19 110.38 1bxr n GLY 405 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.65 3.48 -2.33 4.61 0.00 -1.26 -4.94 121.76 118.67 1bxr s ALA 406 Ca 0.00 0.14 0.21 0.00 0.00 0.00 0.00 51.96 52.30 1bxr s ALA 406 Cb 0.00 -2.80 0.29 0.00 0.00 0.00 0.00 23.12 20.61 1bxr s ALA 406 CO 0.00 0.23 1.25 0.25 0.00 0.00 0.00 175.76 177.49 1bxr n THR 407 N 2.28 0.30 0.00 0.00 -2.24 -1.26 -4.14 114.28 109.23 1bxr n THR 407 Ca -0.07 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1bxr n THR 407 Cb 0.50 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.24 0.36 2.53 3.38 0.00 -1.26 -4.37 105.19 107.08 1bxr n GLY 408 Ca 0.15 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 2.73 -2.10 1.61 3.01 -1.26 -4.91 117.46 116.55 1bxr n PHE 409 Ca 0.00 -2.92 -0.41 0.00 1.01 0.00 0.00 57.45 55.12 1bxr n PHE 409 Cb 0.00 -2.16 -0.03 0.00 -0.01 0.00 0.00 39.48 37.28 1bxr n PHE 409 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bxr s ASP 410 N 1.41 6.76 0.48 4.37 1.01 -1.26 -4.95 116.67 124.49 1bxr s ASP 410 Ca 0.55 2.58 -0.22 0.00 0.71 0.00 0.00 52.55 56.17 1bxr s ASP 410 Cb 0.16 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 1bxr s ASP 410 CO -0.06 -0.62 1.17 -2.16 0.21 0.00 0.00 175.17 173.71 1bxr s PRO 411 N -0.46 3.64 -0.17 8.23 0.04 -1.26 -4.89 135.00 140.13 1bxr s PRO 411 Ca 0.57 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.46 1bxr s PRO 411 Cb -0.40 -2.33 -0.15 0.00 0.04 0.00 0.00 34.50 31.66 1bxr s PRO 411 CO 0.43 -0.65 -0.07 1.17 0.04 0.00 0.00 177.00 177.92 1bxr n LYS 412 N -0.66 0.97 -4.54 4.56 3.00 -1.26 -5.01 118.16 115.22 1bxr n LYS 412 Ca 0.08 0.06 -0.22 0.00 -0.00 0.00 0.00 58.31 58.23 1bxr n LYS 412 Cb 0.48 -1.38 -0.14 0.00 0.00 0.00 0.00 35.03 33.99 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 -2.37 1.14 0.48 3.15 -7.23 -1.26 -5.14 120.40 109.17 1bxr s VAL 413 Ca -0.17 -0.77 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 1bxr s VAL 413 Cb 0.06 -0.98 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 1bxr s VAL 413 CO 0.52 0.20 1.21 -0.55 -0.31 0.00 0.00 175.10 176.17 1bxr s SER 414 N -0.66 5.98 0.44 4.85 0.15 -1.26 -4.94 113.70 118.25 1bxr s SER 414 Ca 0.04 2.41 0.10 0.00 0.70 0.00 0.00 55.95 59.21 1bxr s SER 414 Cb -0.06 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.61 1bxr s SER 414 CO 0.00 -1.06 2.05 -0.07 1.20 0.00 0.00 173.24 175.37 1bxr h LEU 415 N 1.93 0.26 -1.41 3.45 3.38 -2.00 -2.51 115.31 118.41 1bxr h LEU 415 Ca -0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1bxr h LEU 415 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1bxr h LEU 415 CO 0.60 0.24 0.00 -0.90 0.09 0.00 0.00 178.44 178.47 1bxr n ASP 416 N -4.45 2.11 -4.67 -0.43 5.68 -1.26 -4.89 116.55 108.64 1bxr n ASP 416 Ca 0.00 -1.80 -0.43 0.00 -0.50 0.00 0.00 54.79 52.07 1bxr n ASP 416 Cb 0.12 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 39.93 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 -1.51 7.02 0.47 -1.12 -1.08 -0.95 -4.92 116.67 114.58 1bxr s ASP 417 Ca 0.33 1.69 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 1bxr s ASP 417 Cb 0.18 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 40.15 1bxr s ASP 417 CO 0.27 -0.67 1.88 1.55 0.52 0.00 0.00 175.17 178.72 1bxr h PRO 418 N 7.78 0.00 -0.23 4.34 0.13 -1.90 -2.58 132.00 139.54 1bxr h PRO 418 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1bxr h PRO 418 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1bxr h PRO 418 CO 0.93 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 179.27 1bxr n GLU 419 N -3.36 2.43 -0.12 0.86 1.02 -1.26 -4.54 120.64 115.66 1bxr n GLU 419 Ca 0.00 -2.14 -0.05 0.00 -0.02 0.00 0.00 57.16 54.95 1bxr n GLU 419 Cb 0.39 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 4.57 0.46 -0.20 0.62 0.00 -1.79 -1.52 119.26 121.41 1bxr h ALA 420 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1bxr h ALA 420 Cb 0.99 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1bxr h ALA 420 CO 0.00 -0.26 0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1bxr h LEU 421 N 0.29 0.00 -0.01 0.00 3.38 -1.80 -1.24 115.31 115.94 1bxr h LEU 421 Ca 0.18 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1bxr h LEU 421 Cb 0.17 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1bxr h LEU 421 CO -0.19 0.00 -0.79 0.74 0.09 0.00 0.00 178.44 178.29 1bxr h THR 422 N 0.00 1.36 -0.68 0.22 2.02 -1.62 -2.45 112.91 111.76 1bxr h THR 422 Ca 0.10 -2.14 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 1bxr h THR 422 Cb 0.38 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 1bxr h THR 422 CO -0.00 0.64 0.29 0.11 0.37 0.00 0.00 175.52 176.94 1bxr h LYS 423 N 0.14 0.98 0.15 6.66 1.57 -0.78 -2.82 116.57 122.48 1bxr h LYS 423 Ca -0.10 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1bxr h LYS 423 Cb 1.48 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1bxr h LYS 423 CO 0.16 0.79 -0.07 0.82 -0.57 0.00 0.00 179.45 180.57 1bxr h ILE 424 N 0.97 0.87 -0.63 1.86 2.04 -1.24 -2.70 117.51 118.69 1bxr h ILE 424 Ca 0.23 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 66.09 1bxr h ILE 424 Cb 0.15 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1bxr h ILE 424 CO -0.02 0.03 0.42 -0.09 0.00 0.00 0.00 178.15 178.48 1bxr h ARG 425 N -0.26 0.40 -0.06 2.37 2.43 -1.19 0.52 114.38 118.59 1bxr h ARG 425 Ca -0.02 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1bxr h ARG 425 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1bxr h ARG 425 CO 0.03 0.27 -0.82 -0.09 -1.51 0.00 0.00 179.97 177.85 1bxr h ARG 426 N 0.41 0.46 0.00 0.20 1.12 -1.35 0.17 114.38 115.40 1bxr h ARG 426 Ca 0.29 -0.42 -0.09 0.00 -1.11 0.00 0.00 59.98 58.66 1bxr h ARG 426 Cb 0.60 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1bxr h ARG 426 CO -0.08 1.06 -0.41 0.93 -3.11 0.00 0.00 179.97 178.35 1bxr h GLU 427 N 0.29 0.00 0.19 0.20 4.39 -0.93 0.13 114.58 118.86 1bxr h GLU 427 Ca -0.05 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.33 1bxr h GLU 427 Cb 1.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.09 1bxr h GLU 427 CO 0.15 0.41 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.81 1bxr h LEU 428 N 0.00 0.64 -0.13 1.33 4.07 -0.76 -3.24 115.31 117.21 1bxr h LEU 428 Ca -0.00 -0.92 -0.18 0.00 0.08 0.00 0.00 57.88 56.85 1bxr h LEU 428 Cb 1.03 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.57 1bxr h LEU 428 CO 0.05 1.71 -0.63 0.50 -1.08 0.00 0.00 178.44 178.99 1bxr h LYS 429 N 0.01 0.65 -2.99 1.13 3.64 -0.60 -3.36 116.57 115.05 1bxr h LYS 429 Ca -0.30 -0.53 -0.62 0.00 -1.27 0.00 0.00 60.65 57.94 1bxr h LYS 429 Cb 2.02 0.11 -0.42 0.00 -0.41 0.00 0.00 32.23 33.54 1bxr h LYS 429 CO 0.19 1.15 -0.62 -0.25 -2.27 0.00 0.00 179.45 177.65 1bxr n ASP 430 N -4.10 2.67 -4.61 4.20 8.00 0.44 -4.90 116.55 118.26 1bxr n ASP 430 Ca -0.08 -3.13 -0.46 0.00 0.71 0.00 0.00 54.79 51.84 1bxr n ASP 430 Cb 0.67 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1bxr n ASP 430 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxr n ALA 431 N 2.03 0.00 -4.26 2.24 0.00 -1.22 -4.50 120.51 114.80 1bxr n ALA 431 Ca 0.21 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.90 1bxr n ALA 431 Cb 0.37 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1bxr n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 432 N 1.56 3.81 0.26 0.00 0.00 -1.26 -0.27 105.19 109.28 1bxr n GLY 432 Ca 0.11 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1bxr n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr h ALA 433 N 1.20 1.30 -0.01 4.61 0.00 -1.95 -2.90 119.26 121.51 1bxr h ALA 433 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bxr h ALA 433 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bxr h ALA 433 CO 0.33 0.15 -0.05 -0.25 0.00 0.00 0.00 179.25 179.43 1bxr n ASP 434 N -3.67 0.95 -0.35 0.00 9.92 -1.26 -4.51 116.55 117.63 1bxr n ASP 434 Ca -0.02 -1.16 0.31 0.00 -0.53 0.00 0.00 54.79 53.39 1bxr n ASP 434 Cb 0.24 0.00 0.64 0.00 -0.64 0.00 0.00 41.12 41.36 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 1.42 0.17 -0.55 -1.24 2.43 -1.78 -1.09 114.38 113.73 1bxr h ARG 435 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1bxr h ARG 435 Cb 0.37 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1bxr h ARG 435 CO 0.00 0.11 0.19 0.97 -1.51 0.00 0.00 179.97 179.73 1bxr h ILE 436 N 0.18 1.21 -0.15 1.20 6.09 -1.87 -0.94 117.51 123.23 1bxr h ILE 436 Ca 0.62 -0.70 -0.15 0.00 -1.37 0.00 0.00 64.86 63.26 1bxr h ILE 436 Cb 2.04 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 1bxr h ILE 436 CO -0.18 0.27 -0.54 -0.50 -3.07 0.00 0.00 178.15 174.12 1bxr h TRP 437 N 0.80 0.56 0.00 2.19 6.55 -1.54 -2.51 115.95 121.99 1bxr h TRP 437 Ca 0.18 -0.19 -0.03 0.00 0.95 0.00 0.00 58.89 59.80 1bxr h TRP 437 Cb 0.21 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1bxr h TRP 437 CO 0.01 0.89 -0.12 1.88 -1.05 0.00 0.00 178.44 180.05 1bxr h TYR 438 N 0.34 0.00 -0.18 0.49 0.05 -1.29 -0.71 116.97 115.67 1bxr h TYR 438 Ca 0.01 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1bxr h TYR 438 Cb 1.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 1bxr h TYR 438 CO 0.04 0.12 -0.14 0.82 -1.05 0.00 0.00 178.16 177.95 1bxr h ILE 439 N 0.00 1.33 -0.57 -2.88 2.04 -0.73 0.18 117.51 116.87 1bxr h ILE 439 Ca -0.00 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 1bxr h ILE 439 Cb 0.60 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1bxr h ILE 439 CO 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.53 1bxr h ALA 440 N 0.65 0.89 -0.81 1.87 0.00 -1.42 -2.18 119.26 118.26 1bxr h ALA 440 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1bxr h ALA 440 Cb 0.66 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1bxr h ALA 440 CO 0.04 0.65 0.54 -0.44 0.00 0.00 0.00 179.25 180.04 1bxr h ASP 441 N 0.92 0.89 -0.76 0.00 3.32 -0.87 -0.22 116.42 119.69 1bxr h ASP 441 Ca 0.16 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1bxr h ASP 441 Cb 0.56 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1bxr h ASP 441 CO 0.03 0.62 0.45 0.00 -1.72 0.00 0.00 179.24 178.62 1bxr h ALA 442 N 1.52 0.97 -0.50 3.45 0.00 -0.03 -1.68 119.26 122.98 1bxr h ALA 442 Ca 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1bxr h ALA 442 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1bxr h ALA 442 CO -0.09 0.44 0.16 0.74 0.00 0.00 0.00 179.25 180.51 1bxr h PHE 443 N 1.04 0.80 -0.01 0.00 0.04 -0.68 -1.77 116.94 116.36 1bxr h PHE 443 Ca 0.27 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1bxr h PHE 443 Cb -0.03 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1bxr h PHE 443 CO -0.01 0.69 -0.02 0.00 -0.60 0.00 0.00 178.31 178.37 1bxr h ARG 444 N 0.68 0.02 -0.01 1.51 3.08 -0.84 -2.77 114.38 116.06 1bxr h ARG 444 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1bxr h ARG 444 Cb 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1bxr h ARG 444 CO -0.01 0.04 -0.35 0.00 -1.07 0.00 0.00 179.97 178.59 1bxr n ALA 445 N -2.53 3.26 0.00 0.04 0.00 -0.66 -4.97 120.51 115.66 1bxr n ALA 445 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1bxr n ALA 445 Cb 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.39 0.84 3.86 0.00 0.00 -0.85 -5.05 105.19 105.38 1bxr n GLY 446 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 3.62 0.31 0.99 1.43 -0.73 -5.03 118.68 119.28 1bxr s LEU 447 Ca 0.00 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.53 1bxr s LEU 447 Cb 0.00 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 1bxr s LEU 447 CO 0.00 -0.57 0.46 -0.94 0.23 0.00 0.00 176.35 175.52 1bxr s SER 448 N -3.32 6.13 0.22 2.29 1.04 -1.26 -4.59 113.70 114.22 1bxr s SER 448 Ca 0.55 0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.94 1bxr s SER 448 Cb -0.10 -1.60 0.34 0.00 0.10 0.00 0.00 66.02 64.76 1bxr s SER 448 CO 0.35 -0.30 1.68 0.58 0.98 0.00 0.00 173.24 176.53 1bxr h VAL 449 N 0.93 0.52 -0.58 5.02 2.07 -1.96 0.55 116.25 122.80 1bxr h VAL 449 Ca -0.49 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1bxr h VAL 449 Cb 1.24 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1bxr h VAL 449 CO 0.57 0.03 0.21 0.44 0.02 0.00 0.00 177.57 178.85 1bxr h ASP 450 N 0.18 0.83 -0.50 0.57 3.32 -1.98 0.45 116.42 119.29 1bxr h ASP 450 Ca 0.35 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1bxr h ASP 450 Cb 0.57 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1bxr h ASP 450 CO -0.50 0.80 0.21 1.23 -1.72 0.00 0.00 179.24 179.26 1bxr h GLY 451 N 0.82 0.85 1.34 2.75 0.00 -0.97 -0.39 103.07 107.46 1bxr h GLY 451 Ca 0.19 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1bxr h GLY 451 CO -0.01 0.40 -0.58 -2.08 0.00 0.00 0.00 176.54 174.27 1bxr h VAL 452 N 0.78 1.30 -0.72 4.60 2.07 0.89 -2.92 116.25 122.25 1bxr h VAL 452 Ca 0.19 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 1bxr h VAL 452 Cb 0.16 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1bxr h VAL 452 CO -0.02 0.57 0.19 0.15 0.02 0.00 0.00 177.57 178.48 1bxr h PHE 453 N 0.52 1.19 -0.77 1.57 3.57 0.35 -1.02 116.94 122.35 1bxr h PHE 453 Ca 0.00 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.40 1bxr h PHE 453 Cb 1.16 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1bxr h PHE 453 CO 0.06 0.96 0.49 -0.91 -2.23 0.00 0.00 178.31 176.68 1bxr h ASN 454 N 1.08 0.82 -0.19 0.41 2.35 -0.94 0.51 115.58 119.63 1bxr h ASN 454 Ca 0.23 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1bxr h ASN 454 Cb 0.36 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1bxr h ASN 454 CO -0.00 0.56 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.89 1bxr h LEU 455 N 0.96 0.66 0.00 1.61 3.38 -1.32 -3.38 115.31 117.23 1bxr h LEU 455 Ca 0.31 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1bxr h LEU 455 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1bxr h LEU 455 CO -0.11 1.09 -1.82 0.35 0.09 0.00 0.00 178.44 178.04 1bxr n THR 456 N -4.27 0.00 -0.98 0.22 -2.24 -0.41 -4.26 114.28 102.33 1bxr n THR 456 Ca -0.06 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1bxr n THR 456 Cb 0.53 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.13 -5.42 -4.71 3.42 5.03 0.18 -4.64 115.26 106.99 1bxr n ASN 457 Ca -0.03 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.00 1bxr n ASN 457 Cb 0.51 -3.09 -0.03 0.00 -1.02 0.00 0.00 39.78 36.15 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 -1.13 4.43 0.15 2.41 1.01 -1.26 -4.59 121.20 122.21 1bxr s ILE 458 Ca 0.00 1.74 -0.34 0.00 0.00 0.00 0.00 60.65 62.05 1bxr s ILE 458 Cb 0.00 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.20 1bxr s ILE 458 CO 0.00 0.12 1.30 -0.67 0.00 0.00 0.00 174.94 175.68 1bxr n ASP 459 N 4.06 1.79 0.07 3.58 -0.08 -1.26 -4.72 116.55 119.99 1bxr n ASP 459 Ca 0.08 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.68 1bxr n ASP 459 Cb 0.48 -1.25 0.73 0.00 2.34 0.00 0.00 41.12 43.42 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 4.14 0.00 -0.91 -0.67 3.08 -1.95 -0.72 114.38 117.34 1bxr h ARG 460 Ca -0.45 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.72 1bxr h ARG 460 Cb 1.32 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.30 1bxr h ARG 460 CO 0.75 0.00 0.58 2.35 -1.07 0.00 0.00 179.97 182.59 1bxr h TRP 461 N 0.00 0.93 0.02 3.04 7.01 -2.02 -1.93 115.95 123.01 1bxr h TRP 461 Ca 0.20 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.11 1bxr h TRP 461 Cb 0.89 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1bxr h TRP 461 CO 0.00 0.38 -0.47 0.74 -2.79 0.00 0.00 178.44 176.31 1bxr h PHE 462 N 0.82 0.42 -0.44 2.65 0.04 -1.49 -3.35 116.94 115.60 1bxr h PHE 462 Ca 0.44 -0.25 0.06 0.00 2.80 0.00 0.00 57.97 61.03 1bxr h PHE 462 Cb 0.55 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 1bxr h PHE 462 CO -0.00 1.09 0.13 -0.07 -0.60 0.00 0.00 178.31 178.86 1bxr h LEU 463 N -0.36 0.12 -1.10 1.54 3.38 -1.24 -2.43 115.31 115.21 1bxr h LEU 463 Ca -0.07 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1bxr h LEU 463 Cb 1.23 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1bxr h LEU 463 CO 0.09 0.10 0.61 -0.37 0.09 0.00 0.00 178.44 178.96 1bxr h VAL 464 N 0.29 0.99 -0.64 1.22 -1.51 -1.53 0.12 116.25 115.20 1bxr h VAL 464 Ca 0.21 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 65.27 1bxr h VAL 464 Cb 0.22 -0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 29.26 1bxr h VAL 464 CO -0.23 0.18 0.13 1.56 -1.23 0.00 0.00 177.57 177.98 1bxr h GLN 465 N 0.99 1.04 -0.15 5.19 4.20 -1.57 0.27 115.11 125.07 1bxr h GLN 465 Ca 0.44 -0.26 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 1bxr h GLN 465 Cb 0.37 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1bxr h GLN 465 CO -0.20 0.95 -0.53 0.82 -0.67 0.00 0.00 178.83 179.20 1bxr h ILE 466 N 0.95 1.33 -0.54 2.54 2.04 -1.20 -2.14 117.51 120.50 1bxr h ILE 466 Ca 0.20 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1bxr h ILE 466 Cb 0.40 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1bxr h ILE 466 CO 0.01 0.55 0.09 -0.08 0.00 0.00 0.00 178.15 178.71 1bxr h GLU 467 N 0.34 0.89 -0.66 2.37 4.81 -0.03 -1.85 114.58 120.45 1bxr h GLU 467 Ca 0.01 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1bxr h GLU 467 Cb 1.04 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1bxr h GLU 467 CO 0.09 0.86 0.34 1.49 -0.73 0.00 0.00 179.01 181.07 1bxr h GLU 468 N 0.77 0.61 -0.71 1.92 4.81 -0.16 -1.77 114.58 120.05 1bxr h GLU 468 Ca 0.16 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1bxr h GLU 468 Cb 0.41 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1bxr h GLU 468 CO 0.01 0.40 0.42 -0.07 -0.73 0.00 0.00 179.01 179.04 1bxr h LEU 469 N 0.62 0.65 -0.23 1.64 3.38 -1.05 -1.12 115.31 119.21 1bxr h LEU 469 Ca 0.30 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1bxr h LEU 469 Cb 0.24 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1bxr h LEU 469 CO -0.21 0.43 -0.05 0.58 0.09 0.00 0.00 178.44 179.27 1bxr h VAL 470 N 0.79 0.77 -0.94 1.22 2.07 -0.50 0.19 116.25 119.85 1bxr h VAL 470 Ca 0.31 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 1bxr h VAL 470 Cb 0.14 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1bxr h VAL 470 CO -0.16 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.08 1bxr h ARG 471 N 0.00 1.17 -0.38 1.57 2.47 -0.88 0.26 114.38 118.58 1bxr h ARG 471 Ca 0.11 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 1bxr h ARG 471 Cb 0.17 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1bxr h ARG 471 CO -0.23 0.77 -0.16 -0.07 0.56 0.00 0.00 179.97 180.84 1bxr h LEU 472 N 1.20 0.69 -0.98 3.04 3.38 -0.57 -1.75 115.31 120.34 1bxr h LEU 472 Ca 0.37 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1bxr h LEU 472 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1bxr h LEU 472 CO -0.10 0.87 0.20 -0.33 0.09 0.00 0.00 178.44 179.16 1bxr h GLU 473 N 0.63 0.94 -0.82 1.13 5.08 0.14 -2.53 114.58 119.15 1bxr h GLU 473 Ca 0.10 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1bxr h GLU 473 Cb 0.63 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1bxr h GLU 473 CO 0.04 0.81 0.46 0.93 -1.00 0.00 0.00 179.01 180.24 1bxr h GLU 474 N 0.91 1.13 -0.65 2.33 5.08 0.29 -2.65 114.58 121.03 1bxr h GLU 474 Ca 0.21 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1bxr h GLU 474 Cb 0.25 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1bxr h GLU 474 CO -0.01 0.83 0.19 -0.22 -1.00 0.00 0.00 179.01 178.80 1bxr h LYS 475 N 1.13 1.01 -0.16 2.33 3.64 -1.17 -2.28 116.57 121.07 1bxr h LYS 475 Ca 0.29 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1bxr h LYS 475 Cb 0.02 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1bxr h LYS 475 CO -0.05 0.89 -0.08 0.28 -2.27 0.00 0.00 179.45 178.23 1bxr h VAL 476 N 0.94 0.75 0.00 2.00 2.07 -1.28 0.43 116.25 121.16 1bxr h VAL 476 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1bxr h VAL 476 Cb 0.31 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1bxr h VAL 476 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1bxr n ALA 477 N -2.42 1.48 -0.10 1.67 0.00 -1.02 -0.11 120.51 120.01 1bxr n ALA 477 Ca -0.03 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 1bxr n ALA 477 Cb 0.14 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 1bxr n ALA 477 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bxr n GLU 478 N -2.14 0.59 0.12 0.00 2.13 -0.07 -4.41 120.64 116.86 1bxr n GLU 478 Ca 0.01 0.50 -0.01 0.00 0.66 0.00 0.00 57.16 58.32 1bxr n GLU 478 Cb 0.17 -1.70 0.07 0.00 0.27 0.00 0.00 31.44 30.24 1bxr n GLU 478 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1bxr h VAL 479 N -0.89 1.29 -1.16 6.31 -1.51 -0.04 -3.50 116.25 116.75 1bxr h VAL 479 Ca -0.41 -2.47 0.12 0.00 -1.23 0.00 0.00 66.70 62.70 1bxr h VAL 479 Cb 1.43 2.41 -0.03 0.00 -2.13 0.00 0.00 31.29 32.97 1bxr h VAL 479 CO -0.22 0.66 -0.16 0.61 -1.23 0.00 0.00 177.57 177.23 1bxr n GLY 480 N 0.85 -2.02 0.37 5.19 0.00 0.84 -2.83 105.19 107.59 1bxr n GLY 480 Ca 0.00 -1.36 0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.41 0.34 0.00 -0.61 2.10 -1.84 0.59 117.51 117.67 1bxr h ILE 481 Ca 0.01 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.88 1bxr h ILE 481 Cb 0.40 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1bxr h ILE 481 CO 0.00 0.00 -0.33 0.00 -1.08 0.00 0.00 178.15 176.74 1bxr h THR 482 N 0.00 0.69 -0.00 2.19 1.03 -1.95 -2.59 112.91 112.27 1bxr h THR 482 Ca 0.14 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1bxr h THR 482 Cb 0.88 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1bxr h THR 482 CO -0.00 0.33 -0.07 0.61 -0.01 0.00 0.00 175.52 176.37 1bxr n GLY 483 N 0.59 -1.31 3.19 2.99 0.00 0.20 -4.55 105.19 106.31 1bxr n GLY 483 Ca 0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.34 5.88 -4.91 0.99 4.77 -0.98 -4.88 117.00 116.53 1bxr n LEU 484 Ca 0.10 -4.46 -0.28 0.00 -0.03 0.00 0.00 56.01 51.34 1bxr n LEU 484 Cb 0.30 -1.58 0.08 0.00 -2.33 0.00 0.00 43.42 39.89 1bxr n LEU 484 CO 0.26 0.96 0.74 0.54 -1.33 0.00 0.00 177.39 178.56 1bxr s ASN 485 N 2.21 4.62 0.38 -1.43 2.20 -1.26 -4.74 114.94 116.92 1bxr s ASN 485 Ca 0.43 0.71 0.10 0.00 -0.94 0.00 0.00 52.86 53.16 1bxr s ASN 485 Cb 0.04 -1.25 0.87 0.00 -2.00 0.00 0.00 41.25 38.90 1bxr s ASN 485 CO 0.00 -1.81 1.93 0.00 -2.94 0.00 0.00 177.10 174.28 1bxr h ALA 486 N -0.92 1.87 -0.11 3.54 0.00 -1.97 0.32 119.26 121.99 1bxr h ALA 486 Ca -0.46 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1bxr h ALA 486 Cb 1.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bxr h ALA 486 CO 0.64 -0.05 -0.69 -0.44 0.00 0.00 0.00 179.25 178.72 1bxr h ASP 487 N 0.62 0.57 0.23 0.00 5.19 -1.97 -2.55 116.42 118.51 1bxr h ASP 487 Ca 0.36 -0.36 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1bxr h ASP 487 Cb 0.56 -0.17 0.03 0.00 0.18 0.00 0.00 39.33 39.93 1bxr h ASP 487 CO -0.13 1.10 -1.48 0.15 -3.12 0.00 0.00 179.24 175.76 1bxr h PHE 488 N 0.34 0.87 -0.90 4.55 3.57 -1.76 -3.00 116.94 120.62 1bxr h PHE 488 Ca -0.02 -0.64 0.01 0.00 3.53 0.00 0.00 57.97 60.85 1bxr h PHE 488 Cb 1.27 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 1bxr h PHE 488 CO 0.05 1.57 0.60 1.25 -2.23 0.00 0.00 178.31 179.54 1bxr h LEU 489 N 0.07 1.03 -0.94 0.59 5.85 -0.41 -1.71 115.31 119.78 1bxr h LEU 489 Ca -0.27 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1bxr h LEU 489 Cb 2.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 1bxr h LEU 489 CO 0.24 0.74 0.11 -0.09 -0.34 0.00 0.00 178.44 179.10 1bxr h ARG 490 N 1.22 0.88 0.41 1.25 2.43 -1.53 -0.40 114.38 118.64 1bxr h ARG 490 Ca 0.33 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1bxr h ARG 490 Cb -0.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1bxr h ARG 490 CO -0.08 0.81 -0.20 0.37 -1.51 0.00 0.00 179.97 179.37 1bxr h GLN 491 N 0.84 -0.53 -0.80 0.20 4.15 -1.31 0.17 115.11 117.83 1bxr h GLN 491 Ca 0.18 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.73 1bxr h GLN 491 Cb 0.35 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 1bxr h GLN 491 CO 0.00 -0.29 0.52 -0.07 -1.93 0.00 0.00 178.83 177.06 1bxr h LEU 492 N -0.66 0.69 -0.63 -2.39 3.38 -1.12 0.17 115.31 114.75 1bxr h LEU 492 Ca -0.06 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1bxr h LEU 492 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1bxr h LEU 492 CO 0.09 0.42 -0.55 0.11 0.09 0.00 0.00 178.44 178.60 1bxr h LYS 493 N 0.77 0.00 0.00 1.13 1.79 -0.82 -1.75 116.57 117.69 1bxr h LYS 493 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1bxr h LYS 493 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1bxr h LYS 493 CO -0.14 0.55 0.00 0.00 -1.08 0.00 0.00 179.45 178.78 1bxr h ARG 494 N 0.00 0.00 -0.14 3.15 3.08 0.14 -2.69 114.38 117.92 1bxr h ARG 494 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bxr h ARG 494 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1bxr h ARG 494 CO 0.07 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.60 1bxr n LYS 495 N -2.75 1.96 -0.07 0.04 4.76 -0.84 -4.61 118.16 116.64 1bxr n LYS 495 Ca 0.02 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 1bxr n LYS 495 Cb 0.35 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.25 0.49 3.74 0.72 0.00 -1.01 -3.53 105.19 106.84 1bxr n GLY 496 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.76 -3.44 1.61 3.72 -0.67 -4.54 117.46 114.89 1bxr n PHE 497 Ca 0.00 0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 57.40 1bxr n PHE 497 Cb 0.00 -2.55 -0.06 0.00 -0.94 0.00 0.00 39.48 35.93 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 -0.34 3.62 0.21 4.37 0.00 -1.26 -4.63 121.76 123.73 1bxr s ALA 498 Ca 0.61 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1bxr s ALA 498 Cb -0.52 -2.42 0.28 0.00 0.00 0.00 0.00 23.12 20.47 1bxr s ALA 498 CO 0.53 0.50 1.69 -0.44 0.00 0.00 0.00 175.76 178.04 1bxr h ASP 499 N 3.37 -0.13 -0.57 0.00 3.32 -1.93 0.13 116.42 120.62 1bxr h ASP 499 Ca -0.48 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1bxr h ASP 499 Cb 1.19 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 1bxr h ASP 499 CO 0.67 -0.05 0.35 0.00 -1.72 0.00 0.00 179.24 178.49 1bxr h ALA 500 N 1.50 1.53 -0.17 3.45 0.00 -1.92 0.27 119.26 123.94 1bxr h ALA 500 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1bxr h ALA 500 Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bxr h ALA 500 CO -0.45 0.41 -0.36 -0.09 0.00 0.00 0.00 179.25 178.76 1bxr h ARG 501 N 0.79 0.54 -0.89 0.00 9.65 -1.03 -2.37 114.38 121.07 1bxr h ARG 501 Ca 0.21 -0.35 0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1bxr h ARG 501 Cb -0.04 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1bxr h ARG 501 CO -0.04 0.97 0.59 -0.07 2.80 0.00 0.00 179.97 184.21 1bxr h LEU 502 N 0.19 1.02 -0.55 3.80 3.38 -0.64 -2.37 115.31 120.12 1bxr h LEU 502 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1bxr h LEU 502 Cb 0.96 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1bxr h LEU 502 CO 0.08 0.74 0.19 0.00 0.09 0.00 0.00 178.44 179.54 1bxr h ALA 503 N 1.45 0.72 -0.12 1.53 0.00 -0.34 0.43 119.26 122.93 1bxr h ALA 503 Ca 0.32 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1bxr h ALA 503 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1bxr h ALA 503 CO -0.07 0.37 -0.30 0.87 0.00 0.00 0.00 179.25 180.12 1bxr h LYS 504 N 0.77 0.22 -0.20 0.00 1.57 -0.98 -0.14 116.57 117.81 1bxr h LYS 504 Ca 0.18 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1bxr h LYS 504 Cb 0.25 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1bxr h LYS 504 CO -0.01 0.51 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.61 1bxr h LEU 505 N 0.19 0.95 -0.32 2.94 3.38 -0.98 -3.17 115.31 118.30 1bxr h LEU 505 Ca 0.03 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1bxr h LEU 505 Cb 0.64 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bxr h LEU 505 CO 0.05 1.38 -0.12 0.00 0.09 0.00 0.00 178.44 179.84 1bxr n ALA 506 N -2.59 2.79 -3.26 1.53 0.00 0.10 -4.21 120.51 114.87 1bxr n ALA 506 Ca -0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1bxr n ALA 506 Cb 0.70 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 1.26 -0.19 0.00 0.00 0.00 -0.15 -4.12 105.19 101.99 1bxr n GLY 507 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1bxr n GLY 507 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bxr n VAL 508 N -4.07 0.00 -4.52 1.61 0.24 -0.66 -5.04 118.33 105.88 1bxr n VAL 508 Ca -0.07 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 1bxr n VAL 508 Cb 0.57 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 1bxr n VAL 508 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxr s ARG 509 N 1.19 2.83 0.51 7.34 0.52 -1.26 -4.60 118.95 125.47 1bxr s ARG 509 Ca 0.00 -0.50 0.36 0.00 -0.52 0.00 0.00 55.73 55.07 1bxr s ARG 509 Cb 0.00 -2.66 1.51 0.00 0.52 0.00 0.00 34.95 34.31 1bxr s ARG 509 CO 0.00 0.68 1.72 1.49 0.02 0.00 0.00 175.30 179.21 1bxr h GLU 510 N 5.18 0.07 -0.56 3.54 4.81 -1.90 0.81 114.58 126.52 1bxr h GLU 510 Ca -0.50 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1bxr h GLU 510 Cb 1.18 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1bxr h GLU 510 CO 0.53 0.05 -0.07 0.00 -0.73 0.00 0.00 179.01 178.78 1bxr h ALA 511 N 1.38 0.80 -0.32 2.92 0.00 -1.93 -2.19 119.26 119.92 1bxr h ALA 511 Ca 0.69 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1bxr h ALA 511 Cb 2.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 1bxr h ALA 511 CO -0.12 0.67 0.08 0.93 0.00 0.00 0.00 179.25 180.81 1bxr h GLU 512 N 0.93 0.45 -0.05 0.00 5.08 0.24 0.13 114.58 121.37 1bxr h GLU 512 Ca 0.15 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 1bxr h GLU 512 Cb 0.64 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1bxr h GLU 512 CO 0.04 0.42 -0.89 0.82 -1.00 0.00 0.00 179.01 178.40 1bxr h ILE 513 N 0.45 1.34 -0.15 3.13 1.08 -1.33 -2.31 117.51 119.72 1bxr h ILE 513 Ca 0.11 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1bxr h ILE 513 Cb 0.18 2.26 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1bxr h ILE 513 CO -0.00 0.68 0.09 -0.09 -0.69 0.00 0.00 178.15 178.14 1bxr h ARG 514 N 0.34 0.19 -0.12 2.37 2.43 -0.71 -1.98 114.38 116.89 1bxr h ARG 514 Ca -0.08 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1bxr h ARG 514 Cb 1.52 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.99 1bxr h ARG 514 CO 0.17 0.12 -0.09 0.87 -1.51 0.00 0.00 179.97 179.53 1bxr h LYS 515 N 0.19 -0.10 -1.00 0.20 1.57 -0.76 -0.71 116.57 115.96 1bxr h LYS 515 Ca 0.06 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.07 1bxr h LYS 515 Cb -0.01 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 1bxr h LYS 515 CO -0.02 -0.07 0.63 1.25 -0.57 0.00 0.00 179.45 180.67 1bxr h LEU 516 N -0.10 0.59 -0.20 2.94 5.85 -1.13 0.22 115.31 123.49 1bxr h LEU 516 Ca 0.08 0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.67 1bxr h LEU 516 Cb 0.22 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.25 1bxr h LEU 516 CO -0.19 0.17 -0.80 0.03 -0.34 0.00 0.00 178.44 177.31 1bxr h ARG 517 N 0.55 0.71 -0.96 1.25 3.08 -0.52 -2.33 114.38 116.15 1bxr h ARG 517 Ca 0.58 -0.59 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1bxr h ARG 517 Cb 1.20 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.34 1bxr h ARG 517 CO -0.33 1.20 0.62 -0.44 -1.07 0.00 0.00 179.97 179.95 1bxr h ASP 518 N 0.47 1.11 -0.70 7.04 3.32 0.54 0.48 116.42 128.69 1bxr h ASP 518 Ca -0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1bxr h ASP 518 Cb 1.42 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1bxr h ASP 518 CO 0.16 0.82 0.26 -0.61 -1.72 0.00 0.00 179.24 178.15 1bxr h GLN 519 N 1.30 1.06 -0.00 3.56 4.15 -0.61 -2.38 115.11 122.18 1bxr h GLN 519 Ca 0.35 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1bxr h GLN 519 Cb -0.13 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.40 1bxr h GLN 519 CO -0.07 0.88 -0.28 0.66 -1.93 0.00 0.00 178.83 178.10 1bxr n TYR 520 N -4.35 0.00 -3.02 3.99 4.01 -0.74 -4.92 117.16 112.13 1bxr n TYR 520 Ca 0.05 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.63 1bxr n TYR 520 Cb 0.19 -0.34 0.04 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.46 -4.99 -4.37 7.72 2.03 0.12 -4.94 116.55 110.65 1bxr n ASP 521 Ca 0.07 -0.29 -0.46 0.00 0.52 0.00 0.00 54.79 54.63 1bxr n ASP 521 Cb 0.33 -3.73 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 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 -5.20 6.03 0.14 -2.67 2.96 0.13 -5.00 118.68 115.07 1bxr s LEU 522 Ca 0.31 -2.30 0.05 0.00 -0.22 0.00 0.00 54.13 51.97 1bxr s LEU 522 Cb -0.14 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1bxr s LEU 522 CO 0.38 -0.81 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.49 1bxr s HIS 523 N 1.32 1.34 1.00 5.38 3.76 -1.26 -4.63 115.29 122.20 1bxr s HIS 523 Ca 0.21 -0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 1bxr s HIS 523 Cb -0.11 -0.69 0.19 0.00 1.11 0.00 0.00 32.58 33.09 1bxr s HIS 523 CO -0.07 0.13 1.19 -1.25 -0.85 0.00 0.00 174.74 173.90 1bxr s PRO 524 N -3.19 0.41 0.26 8.40 0.04 -1.26 -4.83 135.00 134.81 1bxr s PRO 524 Ca 0.13 -0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.20 1bxr s PRO 524 Cb -0.01 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1bxr s PRO 524 CO 0.02 -2.63 -0.11 0.14 0.04 0.00 0.00 177.00 174.46 1bxr s VAL 525 N -3.43 1.85 -0.17 -0.36 -7.23 0.22 -4.94 120.40 106.34 1bxr s VAL 525 Ca 0.69 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1bxr s VAL 525 Cb -0.10 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1bxr s VAL 525 CO 0.54 -0.42 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.44 1bxr s TYR 526 N -2.89 2.44 0.70 2.82 2.02 -1.26 -1.68 117.35 119.49 1bxr s TYR 526 Ca 0.27 -1.43 0.02 0.00 -0.37 0.00 0.00 57.07 55.56 1bxr s TYR 526 Cb 0.01 -1.73 0.12 0.00 -0.40 0.00 0.00 41.96 39.96 1bxr s TYR 526 CO 0.11 -0.73 0.96 0.15 -1.57 0.00 0.00 175.55 174.47 1bxr s LYS 527 N 1.40 1.76 0.23 -0.62 -0.14 -0.95 -0.65 119.74 120.77 1bxr s LYS 527 Ca 0.04 -1.28 0.09 0.00 -1.36 0.00 0.00 55.97 53.47 1bxr s LYS 527 Cb -0.13 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.57 1bxr s LYS 527 CO -0.11 -1.36 -0.17 1.03 -0.76 0.00 0.00 175.35 173.98 1bxr s ARG 528 N -5.05 1.46 0.00 1.68 0.52 -1.26 -2.33 118.95 113.97 1bxr s ARG 528 Ca 0.66 -1.64 -0.23 0.00 -0.52 0.00 0.00 55.73 54.00 1bxr s ARG 528 Cb -0.05 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1bxr s ARG 528 CO 0.43 0.25 0.69 0.08 0.02 0.00 0.00 175.30 176.78 1bxr s VAL 529 N -2.70 4.86 0.00 3.52 1.01 0.13 -4.95 120.40 122.27 1bxr s VAL 529 Ca 0.25 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1bxr s VAL 529 Cb -0.03 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1bxr s VAL 529 CO 0.10 0.36 0.00 -0.90 0.00 0.00 0.00 175.10 174.66 1bxr n ASP 530 N 2.98 0.00 0.00 3.32 5.68 -1.26 -4.71 116.55 122.56 1bxr n ASP 530 Ca -0.04 -0.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 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 -1.84 2.12 -2.24 -1.21 -4.65 114.28 106.46 1bxr n THR 531 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1bxr n THR 531 Cb 0.07 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.49 -0.86 -0.99 0.00 0.00 0.36 -1.67 120.51 116.85 1bxr n ALA 533 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bxr n ALA 533 Cb 0.82 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.78 0.00 0.25 0.00 0.00 -1.26 -4.88 120.51 111.84 1bxr n ALA 534 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1bxr n ALA 534 Cb 0.61 -0.03 0.67 0.00 0.00 0.00 0.00 19.45 20.70 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 1.91 0.00 -5.45 0.00 4.81 -1.73 -3.43 114.58 110.69 1bxr h GLU 535 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 1bxr h GLU 535 Cb 0.01 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.17 1bxr h GLU 535 CO 0.00 0.15 -0.79 -0.06 -0.73 0.00 0.00 179.01 177.58 1bxr s PHE 536 N -4.13 1.30 0.24 0.92 0.08 -1.26 -5.14 117.98 109.99 1bxr s PHE 536 Ca -0.02 -0.43 -0.23 0.00 0.12 0.00 0.00 56.93 56.37 1bxr s PHE 536 Cb 0.13 -0.74 -0.09 0.00 -0.57 0.00 0.00 43.02 41.75 1bxr s PHE 536 CO 0.60 0.07 0.80 0.00 -0.10 0.00 0.00 175.22 176.60 1bxr s ALA 537 N -1.15 3.36 0.06 5.36 0.00 -1.26 -4.92 121.76 123.21 1bxr s ALA 537 Ca -0.00 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.35 1bxr s ALA 537 Cb -0.09 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1bxr s ALA 537 CO 0.02 0.27 -0.14 -0.08 0.00 0.00 0.00 175.76 175.84 1bxr s THR 538 N -1.44 3.09 -1.15 0.00 -1.32 -1.26 -4.58 115.64 108.98 1bxr s THR 538 Ca 0.43 -1.19 0.21 0.00 -1.21 0.00 0.00 61.69 59.94 1bxr s THR 538 Cb -0.19 -2.36 -0.20 0.00 -1.51 0.00 0.00 72.50 68.24 1bxr s THR 538 CO 0.23 0.25 0.93 0.47 -2.21 0.00 0.00 174.62 174.29 1bxr n ASP 539 N 1.22 1.15 -4.79 8.08 8.00 -1.24 -4.94 116.55 124.03 1bxr n ASP 539 Ca -0.15 -1.07 -0.39 0.00 0.71 0.00 0.00 54.79 53.89 1bxr n ASP 539 Cb 0.52 0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 42.49 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 -2.92 4.48 -0.91 -3.53 2.01 -1.26 -5.04 115.64 108.47 1bxr s THR 540 Ca 0.09 1.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 1bxr s THR 540 Cb 0.16 -4.05 0.26 0.00 0.01 0.00 0.00 72.50 68.89 1bxr s THR 540 CO 0.83 0.48 1.01 0.00 -0.69 0.00 0.00 174.62 176.25 1bxr n ALA 541 N 1.49 4.32 -3.67 7.40 0.00 -1.26 -4.92 120.51 123.86 1bxr n ALA 541 Ca -0.06 -4.71 -0.38 0.00 0.00 0.00 0.00 53.44 48.29 1bxr n ALA 541 Cb 0.49 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.08 3.50 0.35 0.00 6.14 -1.26 -1.38 117.35 122.62 1bxr s TYR 542 Ca 0.32 -2.37 0.09 0.00 0.64 0.00 0.00 57.07 55.74 1bxr s TYR 542 Cb 0.02 -3.32 -0.06 0.00 0.42 0.00 0.00 41.96 39.02 1bxr s TYR 542 CO -0.03 -0.93 0.03 -1.64 0.64 0.00 0.00 175.55 173.62 1bxr s MET 543 N 0.69 2.08 -0.07 4.97 -1.94 -0.11 0.18 119.30 125.10 1bxr s MET 543 Ca 0.11 -1.78 -0.13 0.00 -1.71 0.00 0.00 55.69 52.19 1bxr s MET 543 Cb -0.22 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 34.73 1bxr s MET 543 CO -0.03 0.10 0.31 1.52 -0.01 0.00 0.00 175.02 176.91 1bxr s TYR 544 N -2.54 -0.26 0.30 -0.03 -0.85 -0.98 -0.14 117.35 112.85 1bxr s TYR 544 Ca 0.35 0.56 -0.24 0.00 -0.52 0.00 0.00 57.07 57.22 1bxr s TYR 544 Cb 0.01 0.10 -0.09 0.00 0.38 0.00 0.00 41.96 42.36 1bxr s TYR 544 CO 0.19 -0.27 0.88 -1.54 -1.52 0.00 0.00 175.55 173.29 1bxr s SER 545 N -0.56 7.22 0.11 -0.18 1.04 -1.26 -2.23 113.70 117.83 1bxr s SER 545 Ca -0.07 1.70 -0.19 0.00 0.48 0.00 0.00 55.95 57.87 1bxr s SER 545 Cb -0.04 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1bxr s SER 545 CO 0.02 -0.07 0.46 0.28 0.98 0.00 0.00 173.24 174.92 1bxr s THR 546 N -1.65 0.05 -1.12 2.02 -1.32 -0.68 -4.81 115.64 108.13 1bxr s THR 546 Ca 0.49 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 60.51 1bxr s THR 546 Cb -0.17 -1.07 0.28 0.00 -1.51 0.00 0.00 72.50 70.02 1bxr s THR 546 CO 0.22 -0.21 1.25 -1.22 -2.21 0.00 0.00 174.62 172.44 1bxr n TYR 547 N -0.05 4.47 -0.09 9.09 4.02 -1.26 0.70 117.16 134.04 1bxr n TYR 547 Ca -0.17 -3.53 0.00 0.00 -0.01 0.00 0.00 57.90 54.20 1bxr n TYR 547 Cb 0.63 -1.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.32 1bxr n TYR 547 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1bxr n GLU 548 N 2.54 3.05 -0.04 -0.72 1.02 -1.26 -4.88 120.64 120.35 1bxr n GLU 548 Ca 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1bxr n GLU 548 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.78 1bxr n GLU 548 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bxr n GLU 549 N 0.00 0.33 -3.17 3.49 -0.58 -1.26 -4.87 120.64 114.57 1bxr n GLU 549 Ca 0.00 0.13 -0.40 0.00 -0.42 0.00 0.00 57.16 56.47 1bxr n GLU 549 Cb 0.00 -1.06 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 1bxr n GLU 549 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1bxr s GLU 550 N -2.47 4.21 0.02 3.49 2.12 -1.26 -5.03 118.70 119.79 1bxr s GLU 550 Ca -0.18 0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 1bxr s GLU 550 Cb 0.02 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1bxr s GLU 550 CO 0.27 -0.19 0.36 0.00 -0.54 0.00 0.00 175.26 175.16 1bxr n GLU 552 N 1.39 2.85 -0.10 0.00 1.02 0.17 -4.80 120.64 121.16 1bxr n GLU 552 Ca -0.12 -1.65 -0.05 0.00 -0.02 0.00 0.00 57.16 55.32 1bxr n GLU 552 Cb 0.53 -1.09 0.02 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.66 0.33 -6.36 0.62 0.00 -1.92 -3.48 119.26 109.11 1bxr h ALA 553 Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.64 1bxr h ALA 553 Cb 0.56 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1bxr h ALA 553 CO 0.00 -0.39 -0.78 0.09 0.00 0.00 0.00 179.25 178.17 1bxr n ASN 554 N -5.17 -3.33 -4.76 0.00 3.02 -1.26 -4.90 115.26 98.86 1bxr n ASN 554 Ca 0.01 -0.73 -0.33 0.00 -0.03 0.00 0.00 54.58 53.50 1bxr n ASN 554 Cb 0.18 -1.12 0.05 0.00 -0.61 0.00 0.00 39.78 38.28 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 -4.42 2.75 0.10 3.52 0.04 -1.26 -5.02 135.00 130.71 1bxr s PRO 555 Ca 0.04 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 1bxr s PRO 555 Cb -0.02 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1bxr s PRO 555 CO 0.64 -1.30 0.61 -1.12 0.04 0.00 0.00 177.00 175.88 1bxr s SER 556 N -2.45 7.13 -0.07 6.66 0.01 -1.26 -4.96 113.70 118.76 1bxr s SER 556 Ca 0.68 1.34 0.16 0.00 1.31 0.00 0.00 55.95 59.44 1bxr s SER 556 Cb -0.22 -2.39 -0.22 0.00 0.21 0.00 0.00 66.02 63.40 1bxr s SER 556 CO 0.41 0.26 0.51 0.35 0.41 0.00 0.00 173.24 175.18 1bxr n THR 557 N 1.66 1.38 0.00 1.44 -2.24 -1.26 -4.65 114.28 110.61 1bxr n THR 557 Ca -0.09 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1bxr n THR 557 Cb 0.50 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1bxr n THR 557 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bxr n ASP 558 N -2.89 0.00 -4.26 3.42 2.03 -1.26 -4.84 116.55 108.75 1bxr n ASP 558 Ca -0.19 0.39 -0.21 0.00 0.52 0.00 0.00 54.79 55.30 1bxr n ASP 558 Cb 1.02 -0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.53 1bxr n ASP 558 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bxr n ARG 559 N -0.90 -0.12 -3.36 -0.67 1.74 -1.26 -5.08 116.66 107.00 1bxr n ARG 559 Ca 0.00 -2.42 -0.39 0.00 -0.77 0.00 0.00 57.85 54.27 1bxr n ARG 559 Cb 0.00 -0.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 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 -4.90 4.11 -0.07 5.56 2.02 -1.26 -4.95 118.70 119.21 1bxr s GLU 560 Ca 0.60 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.79 1bxr s GLU 560 Cb -0.03 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1bxr s GLU 560 CO 0.40 -0.16 -0.09 0.15 0.02 0.00 0.00 175.26 175.59 1bxr s LYS 561 N 1.70 2.74 -0.18 1.61 1.02 -1.26 0.93 119.74 126.31 1bxr s LYS 561 Ca 0.18 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1bxr s LYS 561 Cb -0.15 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1bxr s LYS 561 CO 0.09 0.63 -0.20 0.42 -0.92 0.00 0.00 175.35 175.37 1bxr s ILE 562 N -0.73 2.08 -0.09 2.17 -1.09 -0.50 0.28 121.20 123.33 1bxr s ILE 562 Ca 0.11 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1bxr s ILE 562 Cb -0.11 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 1bxr s ILE 562 CO 0.01 0.54 0.29 -0.32 -1.23 0.00 0.00 174.94 174.24 1bxr s MET 563 N 1.23 3.90 -0.20 2.79 1.75 0.55 -2.17 119.30 127.15 1bxr s MET 563 Ca 0.04 0.15 -0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1bxr s MET 563 Cb -0.13 -3.28 0.01 0.00 2.84 0.00 0.00 34.83 34.27 1bxr s MET 563 CO -0.11 0.56 -0.13 0.08 -0.65 0.00 0.00 175.02 174.76 1bxr s VAL 564 N -0.54 2.57 -0.16 10.11 1.01 -0.85 -0.05 120.40 132.50 1bxr s VAL 564 Ca 0.19 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1bxr s VAL 564 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1bxr s VAL 564 CO 0.08 0.47 0.56 -0.76 0.00 0.00 0.00 175.10 175.44 1bxr s LEU 565 N 1.36 4.20 0.87 3.92 1.43 -1.01 -1.76 118.68 127.69 1bxr s LEU 565 Ca 0.05 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1bxr s LEU 565 Cb -0.14 -2.80 0.17 0.00 0.03 0.00 0.00 46.19 43.45 1bxr s LEU 565 CO -0.09 -0.15 1.19 -0.83 0.23 0.00 0.00 176.35 176.71 1bxr s GLY 566 N 0.97 1.77 0.00 -3.19 0.00 0.34 -3.92 107.32 103.29 1bxr s GLY 566 Ca 0.27 -1.40 0.18 0.00 0.00 0.00 0.00 44.72 43.78 1bxr s GLY 566 CO 0.11 -0.71 1.43 0.61 0.00 0.00 0.00 173.10 174.54 1bxr n GLY 567 N -3.40 1.66 7.00 0.20 0.00 -1.24 -4.64 105.19 104.77 1bxr n GLY 567 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.17 3.71 -0.02 0.00 -1.26 -4.81 105.19 104.40 1bxr n GLY 568 Ca 0.19 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 1.61 -2.67 1.61 -0.04 -1.26 -4.42 135.00 129.82 1bxr n PRO 569 Ca 0.00 0.59 -0.39 0.00 -0.04 0.00 0.00 63.50 63.65 1bxr n PRO 569 Cb 0.00 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 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 -0.89 7.46 0.27 3.54 0.02 -1.26 -4.90 114.94 119.18 1bxr s ASN 570 Ca 0.70 2.02 -0.08 0.00 -1.02 0.00 0.00 52.86 54.49 1bxr s ASN 570 Cb -0.44 -2.61 -0.01 0.00 0.02 0.00 0.00 41.25 38.22 1bxr s ASN 570 CO 0.51 0.02 0.41 0.00 0.02 0.00 0.00 177.10 178.06 1bxr s ARG 571 N -1.44 1.59 0.11 -0.60 1.04 -1.00 -2.71 118.95 115.95 1bxr s ARG 571 Ca 0.44 -1.47 -0.31 0.00 -1.04 0.00 0.00 55.73 53.35 1bxr s ARG 571 Cb -0.26 0.43 -0.09 0.00 -2.04 0.00 0.00 34.95 32.98 1bxr s ARG 571 CO 0.33 -0.64 1.66 0.42 -0.04 0.00 0.00 175.30 177.02 1bxr s ILE 572 N -3.75 2.80 0.00 4.99 1.01 -1.26 -1.43 121.20 123.56 1bxr s ILE 572 Ca 0.28 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1bxr s ILE 572 Cb 0.01 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1bxr s ILE 572 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1bxr n GLY 573 N 3.96 0.79 2.52 6.18 0.00 -1.26 -4.91 105.19 112.47 1bxr n GLY 573 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1bxr n GLY 573 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bxr n GLN 574 N -2.15 0.62 0.00 1.61 6.02 -0.52 -4.56 117.38 118.40 1bxr n GLN 574 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 1bxr n GLN 574 Cb 0.00 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1bxr n GLN 574 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bxr n GLY 575 N 2.00 2.85 0.26 1.08 0.00 -1.24 -2.36 105.19 107.78 1bxr n GLY 575 Ca 0.18 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.73 -0.98 -0.61 2.10 -1.94 -2.81 117.51 114.00 1bxr h ILE 576 Ca 0.00 -0.33 0.20 0.00 1.08 0.00 0.00 64.86 65.81 1bxr h ILE 576 Cb 0.00 1.20 -0.11 0.00 -1.09 0.00 0.00 36.82 36.82 1bxr h ILE 576 CO 0.00 0.08 0.58 -0.33 -1.08 0.00 0.00 178.15 177.40 1bxr h GLU 577 N 0.00 0.66 -0.00 2.19 3.07 -1.90 0.15 114.58 118.75 1bxr h GLU 577 Ca -0.00 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 1bxr h GLU 577 Cb 0.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1bxr h GLU 577 CO 0.01 0.44 -0.80 0.74 -1.40 0.00 0.00 179.01 178.00 1bxr h PHE 578 N 0.68 0.10 -0.08 4.33 0.04 -1.80 -3.12 116.94 117.09 1bxr h PHE 578 Ca 0.59 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 61.13 1bxr h PHE 578 Cb 0.98 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1bxr h PHE 578 CO -0.02 0.84 -0.68 0.22 -0.60 0.00 0.00 178.31 178.06 1bxr h ASP 579 N 0.04 0.41 -0.69 2.17 3.58 -0.92 -2.71 116.42 118.30 1bxr h ASP 579 Ca -0.02 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.18 1bxr h ASP 579 Cb 1.40 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1bxr h ASP 579 CO 0.11 0.97 0.46 0.22 -2.88 0.00 0.00 179.24 178.12 1bxr h TYR 580 N 0.24 0.87 0.80 0.28 5.03 -0.96 -1.25 116.97 121.97 1bxr h TYR 580 Ca -0.02 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1bxr h TYR 580 Cb 1.24 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 39.22 1bxr h TYR 580 CO 0.04 0.54 -0.47 0.00 -1.32 0.00 0.00 178.16 176.95 1bxr h VAL 583 N 0.52 1.26 -0.32 0.00 2.07 -0.98 0.34 116.25 119.14 1bxr h VAL 583 Ca 0.54 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1bxr h VAL 583 Cb 0.95 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1bxr h VAL 583 CO -0.46 0.30 -0.16 0.45 0.02 0.00 0.00 177.57 177.72 1bxr h HIS 584 N 1.24 0.78 -0.44 1.57 -0.00 0.88 0.31 115.15 119.48 1bxr h HIS 584 Ca 0.31 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1bxr h HIS 584 Cb 0.06 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1bxr h HIS 584 CO 0.01 0.90 0.06 0.00 -0.00 0.00 0.00 177.93 178.89 1bxr h ALA 585 N 0.77 1.27 0.35 2.45 0.00 0.20 -0.79 119.26 123.51 1bxr h ALA 585 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1bxr h ALA 585 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1bxr h ALA 585 CO 0.05 0.50 -0.17 1.03 0.00 0.00 0.00 179.25 180.66 1bxr h SER 586 N 0.66 -0.40 -0.72 0.00 0.87 -0.04 -3.03 113.55 110.89 1bxr h SER 586 Ca 0.14 -0.15 0.16 0.00 -1.23 0.00 0.00 61.79 60.71 1bxr h SER 586 Cb 0.33 0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 1bxr h SER 586 CO 0.01 0.01 0.15 -0.07 -0.53 0.00 0.00 176.83 176.39 1bxr h LEU 587 N -0.91 -0.04 0.36 2.23 4.07 -0.14 -2.95 115.31 117.94 1bxr h LEU 587 Ca -0.05 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1bxr h LEU 587 Cb 0.53 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1bxr h LEU 587 CO 0.08 -0.06 -0.18 0.00 -1.08 0.00 0.00 178.44 177.21 1bxr h ALA 588 N 1.61 -0.49 0.00 1.53 0.00 -1.23 -2.98 119.26 117.70 1bxr h ALA 588 Ca 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1bxr h ALA 588 Cb 0.69 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1bxr h ALA 588 CO -0.52 -0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 177.92 1bxr h LEU 589 N -0.70 0.00 0.06 0.00 3.38 -1.49 -1.87 115.31 114.70 1bxr h LEU 589 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1bxr h LEU 589 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1bxr h LEU 589 CO 0.08 0.07 -0.03 -0.09 0.09 0.00 0.00 178.44 178.56 1bxr h ARG 590 N 0.00 -0.08 -0.82 1.13 2.43 -1.56 0.61 114.38 116.08 1bxr h ARG 590 Ca -0.00 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1bxr h ARG 590 Cb 0.27 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1bxr h ARG 590 CO 0.01 0.51 0.57 1.49 -1.51 0.00 0.00 179.97 181.04 1bxr h GLU 591 N -0.81 0.14 0.00 0.20 4.57 -1.31 2.22 114.58 119.59 1bxr h GLU 591 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1bxr h GLU 591 Cb 0.63 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1bxr h GLU 591 CO 0.01 0.10 0.00 -0.25 -1.18 0.00 0.00 179.01 177.69 1bxr n ASP 592 N -4.38 0.73 0.00 1.04 9.92 -0.74 -4.94 116.55 118.18 1bxr n ASP 592 Ca 0.17 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 1bxr n ASP 592 Cb 0.79 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 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 1.25 0.84 3.84 0.44 0.00 0.75 -5.06 105.19 107.25 1bxr n GLY 593 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.40 -0.34 1.61 2.02 0.21 -4.89 117.35 117.36 1bxr s TYR 594 Ca 0.00 1.37 -0.23 0.00 -0.37 0.00 0.00 57.07 57.84 1bxr s TYR 594 Cb 0.00 -2.69 0.01 0.00 -0.40 0.00 0.00 41.96 38.88 1bxr s TYR 594 CO 0.00 -0.15 0.79 -2.00 -1.57 0.00 0.00 175.55 172.62 1bxr s GLU 595 N -3.55 3.85 -0.11 -0.62 2.12 0.27 -4.33 118.70 116.33 1bxr s GLU 595 Ca 0.57 0.44 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 1bxr s GLU 595 Cb -0.10 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.47 1bxr s GLU 595 CO 0.23 -0.78 0.26 0.95 -0.54 0.00 0.00 175.26 175.39 1bxr s THR 596 N 3.05 5.30 -0.24 -1.70 -4.23 -1.26 -1.40 115.64 115.16 1bxr s THR 596 Ca 0.32 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1bxr s THR 596 Cb -0.14 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1bxr s THR 596 CO 0.15 0.52 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.08 1bxr s ILE 597 N -0.45 1.50 0.04 2.99 1.01 -0.92 -1.16 121.20 124.21 1bxr s ILE 597 Ca 0.17 -1.24 -0.19 0.00 0.00 0.00 0.00 60.65 59.40 1bxr s ILE 597 Cb -0.13 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1bxr s ILE 597 CO 0.06 -0.14 0.55 -0.32 0.00 0.00 0.00 174.94 175.09 1bxr s MET 598 N 1.40 4.19 -0.25 2.79 -2.45 0.16 -2.01 119.30 123.12 1bxr s MET 598 Ca -0.05 0.68 0.02 0.00 -1.25 0.00 0.00 55.69 55.10 1bxr s MET 598 Cb -0.19 -3.26 0.06 0.00 1.25 0.00 0.00 34.83 32.70 1bxr s MET 598 CO -0.07 0.59 -0.08 0.08 1.05 0.00 0.00 175.02 176.59 1bxr s VAL 599 N -0.90 1.90 0.02 10.11 1.01 -0.72 -1.08 120.40 130.75 1bxr s VAL 599 Ca 0.28 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.49 1bxr s VAL 599 Cb -0.19 -2.09 0.10 0.00 0.00 0.00 0.00 36.38 34.20 1bxr s VAL 599 CO 0.18 -0.08 0.84 0.21 0.00 0.00 0.00 175.10 176.24 1bxr s ASN 600 N 1.22 -0.40 -0.02 3.32 2.47 -1.11 -0.50 114.94 119.92 1bxr s ASN 600 Ca -0.07 -0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.23 1bxr s ASN 600 Cb -0.19 0.42 0.04 0.00 -1.45 0.00 0.00 41.25 40.07 1bxr s ASN 600 CO -0.06 -0.68 0.86 0.00 -3.72 0.00 0.00 177.10 173.50 1bxr s ASN 602 N -0.95 6.82 0.36 0.00 3.84 -1.26 -1.45 114.94 122.30 1bxr s ASN 602 Ca 0.05 1.01 0.22 0.00 0.21 0.00 0.00 52.86 54.34 1bxr s ASN 602 Cb 0.04 -2.42 0.22 0.00 -0.55 0.00 0.00 41.25 38.54 1bxr s ASN 602 CO 0.00 -0.44 1.44 1.55 -2.79 0.00 0.00 177.10 176.87 1bxr h PRO 603 N 7.58 0.00 0.00 0.43 0.13 -1.92 -3.31 132.00 134.92 1bxr h PRO 603 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1bxr h PRO 603 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1bxr h PRO 603 CO 0.84 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 1bxr n GLU 604 N -3.02 0.89 -4.13 0.86 1.02 -1.26 -4.68 120.64 110.32 1bxr n GLU 604 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1bxr n GLU 604 Cb 0.57 -1.12 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 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 -2.00 4.25 0.20 2.62 -4.23 -1.25 -3.85 115.64 111.38 1bxr s THR 605 Ca 0.10 -1.24 0.14 0.00 -1.18 0.00 0.00 61.69 59.51 1bxr s THR 605 Cb 0.05 -3.18 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1bxr s THR 605 CO 0.08 -0.15 1.62 0.58 -0.54 0.00 0.00 174.62 176.21 1bxr h VAL 606 N 2.07 1.22 -0.34 2.29 2.07 -1.92 -2.74 116.25 118.91 1bxr h VAL 606 Ca -0.47 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.01 1bxr h VAL 606 Cb 1.21 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1bxr h VAL 606 CO 0.61 0.54 0.09 0.77 0.02 0.00 0.00 177.57 179.61 1bxr h SER 607 N 0.00 0.44 -0.30 0.57 4.64 -1.94 -1.84 113.55 115.12 1bxr h SER 607 Ca -0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1bxr h SER 607 Cb 1.09 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1bxr h SER 607 CO 0.07 0.44 0.00 0.35 -0.87 0.00 0.00 176.83 176.82 1bxr n THR 608 N -4.36 0.60 -3.00 2.95 -2.24 -1.03 -4.79 114.28 102.40 1bxr n THR 608 Ca 0.02 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 1bxr n THR 608 Cb 0.17 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.85 7.21 0.36 3.42 -1.08 -0.69 -4.94 116.67 120.10 1bxr s ASP 609 Ca 0.22 1.44 0.27 0.00 -0.52 0.00 0.00 52.55 53.96 1bxr s ASP 609 Cb 0.13 -2.46 1.15 0.00 -1.46 0.00 0.00 42.92 40.27 1bxr s ASP 609 CO 0.13 0.04 1.81 0.10 0.52 0.00 0.00 175.17 177.77 1bxr h TYR 610 N 5.54 0.00 -0.19 -5.34 -0.00 -1.86 -3.10 116.97 112.02 1bxr h TYR 610 Ca -0.44 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.08 1bxr h TYR 610 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.94 1bxr h TYR 610 CO 0.65 0.00 -0.68 -0.44 -0.00 0.00 0.00 178.16 177.69 1bxr h ASP 611 N 0.00 0.93 -0.88 0.10 3.32 -1.92 -3.31 116.42 114.66 1bxr h ASP 611 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 57.03 56.48 1bxr h ASP 611 Cb 0.38 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1bxr h ASP 611 CO 0.00 1.37 0.58 0.74 -1.72 0.00 0.00 179.24 180.21 1bxr h THR 612 N 0.54 1.16 -3.21 0.35 2.02 -1.80 -3.45 112.91 108.51 1bxr h THR 612 Ca -0.03 -0.38 -0.38 0.00 0.77 0.00 0.00 66.41 66.39 1bxr h THR 612 Cb 1.31 -0.05 -0.14 0.00 -1.74 0.00 0.00 68.15 67.52 1bxr h THR 612 CO 0.14 0.20 -0.69 -0.94 0.37 0.00 0.00 175.52 174.61 1bxr s SER 613 N -6.16 2.01 0.01 4.18 1.04 -1.25 -4.46 113.70 109.08 1bxr s SER 613 Ca -0.12 -1.11 -0.25 0.00 0.48 0.00 0.00 55.95 54.95 1bxr s SER 613 Cb 0.19 -0.03 -0.17 0.00 0.10 0.00 0.00 66.02 66.10 1bxr s SER 613 CO 0.80 -0.38 1.33 0.44 0.98 0.00 0.00 173.24 176.40 1bxr h ASP 614 N 2.58 -0.21 -3.32 7.02 3.32 -1.63 -3.43 116.42 120.74 1bxr h ASP 614 Ca -0.38 -0.23 -0.62 0.00 0.02 0.00 0.00 57.03 55.82 1bxr h ASP 614 Cb 1.21 0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.48 1bxr h ASP 614 CO 0.64 0.13 -0.86 -0.13 -1.72 0.00 0.00 179.24 177.31 1bxr s ARG 615 N -4.81 2.59 -0.17 3.56 0.52 -0.31 -4.39 118.95 115.94 1bxr s ARG 615 Ca -0.15 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1bxr s ARG 615 Cb 0.03 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.47 1bxr s ARG 615 CO 0.60 0.07 -0.19 -1.17 0.02 0.00 0.00 175.30 174.63 1bxr s LEU 616 N 0.60 2.22 -0.39 2.53 2.96 -0.48 0.39 118.68 126.52 1bxr s LEU 616 Ca -0.14 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 1bxr s LEU 616 Cb -0.17 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1bxr s LEU 616 CO 0.04 0.03 0.22 -0.31 -1.32 0.00 0.00 176.35 175.01 1bxr s TYR 617 N 1.10 3.27 -1.19 5.38 2.02 -0.24 -0.94 117.35 126.76 1bxr s TYR 617 Ca 0.00 -1.19 -0.17 0.00 -0.37 0.00 0.00 57.07 55.34 1bxr s TYR 617 Cb -0.14 -2.60 0.12 0.00 -0.40 0.00 0.00 41.96 38.93 1bxr s TYR 617 CO -0.07 -0.73 1.52 0.12 -1.57 0.00 0.00 175.55 174.82 1bxr s PHE 618 N 1.50 3.09 0.09 2.71 2.19 0.80 -2.74 117.98 125.61 1bxr s PHE 618 Ca 0.02 -1.73 -0.01 0.00 0.33 0.00 0.00 56.93 55.53 1bxr s PHE 618 Cb -0.21 -4.52 -0.04 0.00 -1.31 0.00 0.00 43.02 36.95 1bxr s PHE 618 CO 0.05 -1.62 0.02 -1.21 1.83 0.00 0.00 175.22 174.29 1bxr s GLU 619 N 3.05 0.77 0.13 10.12 0.41 -1.12 -4.59 118.70 127.47 1bxr s GLU 619 Ca 0.46 -1.32 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 1bxr s GLU 619 Cb -0.00 0.23 -0.09 0.00 -1.78 0.00 0.00 34.13 32.49 1bxr s GLU 619 CO 0.01 -0.18 1.46 -2.14 -0.49 0.00 0.00 175.26 173.92 1bxr s PRO 620 N -3.98 4.28 -1.22 0.39 0.02 -1.26 -3.22 135.00 130.00 1bxr s PRO 620 Ca 0.15 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.16 1bxr s PRO 620 Cb 0.08 -3.24 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1bxr s PRO 620 CO -0.04 -0.51 1.90 0.28 -0.33 0.00 0.00 177.00 178.29 1bxr n VAL 621 N 4.02 2.99 -4.43 3.83 0.31 -1.26 -4.62 118.33 119.16 1bxr n VAL 621 Ca 0.13 -2.97 -0.21 0.00 -0.01 0.00 0.00 64.34 61.27 1bxr n VAL 621 Cb 0.41 -2.33 -0.10 0.00 -0.91 0.00 0.00 33.84 30.90 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 6.21 1.51 0.13 2.52 -4.23 -1.26 -4.93 115.64 115.59 1bxr s THR 622 Ca 0.58 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 1bxr s THR 622 Cb 0.06 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1bxr s THR 622 CO 0.07 -0.24 1.77 0.25 -0.54 0.00 0.00 174.62 175.93 1bxr h LEU 623 N 2.25 0.38 0.57 4.79 5.85 -1.97 0.36 115.31 127.54 1bxr h LEU 623 Ca -0.40 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1bxr h LEU 623 Cb 1.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1bxr h LEU 623 CO 0.68 0.32 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.66 1bxr h GLU 624 N 0.41 -0.85 -0.69 1.25 4.81 -1.96 -0.35 114.58 117.20 1bxr h GLU 624 Ca 0.11 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1bxr h GLU 624 Cb 0.00 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1bxr h GLU 624 CO -0.02 -0.57 0.46 -0.44 -0.73 0.00 0.00 179.01 177.71 1bxr h ASP 625 N -0.88 0.58 -0.05 1.04 3.32 -1.78 -1.83 116.42 116.81 1bxr h ASP 625 Ca -0.07 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 1bxr h ASP 625 Cb 0.72 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1bxr h ASP 625 CO 0.06 0.36 -0.75 0.58 -1.72 0.00 0.00 179.24 177.78 1bxr h VAL 626 N 0.65 1.34 -0.91 -1.35 2.07 -0.75 -3.19 116.25 114.11 1bxr h VAL 626 Ca 0.31 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1bxr h VAL 626 Cb 0.35 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1bxr h VAL 626 CO -0.10 0.62 0.60 -0.07 0.02 0.00 0.00 177.57 178.64 1bxr h LEU 627 N 0.22 1.01 -1.24 2.57 3.38 -0.51 0.15 115.31 120.89 1bxr h LEU 627 Ca -0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1bxr h LEU 627 Cb 1.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1bxr h LEU 627 CO 0.15 0.71 0.24 -0.33 0.09 0.00 0.00 178.44 179.30 1bxr h GLU 628 N 1.19 0.76 -0.10 1.13 4.39 -1.37 0.31 114.58 120.89 1bxr h GLU 628 Ca 0.35 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 1bxr h GLU 628 Cb -0.06 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1bxr h GLU 628 CO -0.09 0.61 -0.33 0.82 -1.16 0.00 0.00 179.01 178.86 1bxr h ILE 629 N 0.76 1.39 -0.87 3.13 2.04 -1.29 -3.12 117.51 119.55 1bxr h ILE 629 Ca 0.19 -1.67 0.05 0.00 1.00 0.00 0.00 64.86 64.42 1bxr h ILE 629 Cb 0.12 2.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1bxr h ILE 629 CO -0.02 0.49 0.55 0.58 0.00 0.00 0.00 178.15 179.75 1bxr h VAL 630 N -0.03 1.10 -0.90 1.67 2.07 -0.32 0.20 116.25 120.03 1bxr h VAL 630 Ca -0.01 -0.36 0.18 0.00 0.82 0.00 0.00 66.70 67.32 1bxr h VAL 630 Cb 0.96 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1bxr h VAL 630 CO 0.07 0.19 0.59 -0.09 0.02 0.00 0.00 177.57 178.35 1bxr h ARG 631 N 1.05 0.54 0.00 1.57 2.43 -0.90 0.38 114.38 119.46 1bxr h ARG 631 Ca 0.36 -0.03 -0.37 0.00 -0.81 0.00 0.00 59.98 59.13 1bxr h ARG 631 Cb 0.08 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 1bxr h ARG 631 CO -0.14 0.36 -2.39 0.44 -1.51 0.00 0.00 179.97 176.72 1bxr n ILE 632 N -4.56 1.40 0.11 1.20 -5.35 -0.65 -4.49 119.36 107.01 1bxr n ILE 632 Ca 0.19 -0.81 -0.20 0.00 -0.27 0.00 0.00 62.75 61.66 1bxr n ILE 632 Cb 0.59 -0.61 -0.13 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.48 -6.66 6.28 4.39 -0.37 -3.46 114.58 115.23 1bxr h GLU 633 Ca -0.55 -0.71 -0.50 0.00 0.34 0.00 0.00 59.36 57.95 1bxr h GLU 633 Cb 2.19 0.25 0.01 0.00 -0.10 0.00 0.00 28.75 31.09 1bxr h GLU 633 CO 0.01 1.32 -0.97 0.36 -1.16 0.00 0.00 179.01 178.57 1bxr n LYS 634 N -3.69 -0.91 -1.13 2.33 2.85 0.13 -4.93 118.16 112.81 1bxr n LYS 634 Ca -0.12 0.45 -0.31 0.00 -1.05 0.00 0.00 58.31 57.29 1bxr n LYS 634 Cb 1.01 -2.91 0.12 0.00 -0.65 0.00 0.00 35.03 32.60 1bxr n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1bxr s PRO 635 N -6.08 1.74 0.09 -1.58 0.04 -1.26 -4.88 135.00 123.07 1bxr s PRO 635 Ca 0.30 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 1bxr s PRO 635 Cb -0.15 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1bxr s PRO 635 CO 0.92 -2.00 1.36 -0.22 0.04 0.00 0.00 177.00 177.10 1bxr h LYS 636 N -1.39 0.72 -3.37 4.56 3.64 0.37 -3.47 116.57 117.64 1bxr h LYS 636 Ca -0.45 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 58.47 1bxr h LYS 636 Cb 1.25 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1bxr h LYS 636 CO 0.50 1.08 0.03 0.20 -2.27 0.00 0.00 179.45 179.00 1bxr s GLY 637 N -3.84 0.26 -0.11 5.01 0.00 -0.85 -4.89 107.32 102.90 1bxr s GLY 637 Ca -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1bxr s GLY 637 CO 0.85 -0.39 0.03 0.14 0.00 0.00 0.00 173.10 173.73 1bxr s VAL 638 N -3.98 0.29 -0.25 1.40 1.01 0.14 -0.33 120.40 118.70 1bxr s VAL 638 Ca 0.17 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1bxr s VAL 638 Cb -0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1bxr s VAL 638 CO 0.08 0.07 0.73 -0.63 0.00 0.00 0.00 175.10 175.36 1bxr s ILE 639 N 1.99 4.91 -0.49 2.22 1.01 0.93 -1.92 121.20 129.85 1bxr s ILE 639 Ca 0.03 1.36 0.05 0.00 0.00 0.00 0.00 60.65 62.09 1bxr s ILE 639 Cb -0.14 -4.03 0.12 0.00 0.01 0.00 0.00 42.46 38.42 1bxr s ILE 639 CO -0.06 -0.02 1.00 1.33 0.00 0.00 0.00 174.94 177.18 1bxr n VAL 640 N 5.21 0.73 1.02 2.92 0.24 -1.26 -2.40 118.33 124.79 1bxr n VAL 640 Ca 0.03 -0.86 0.11 0.00 -2.04 0.00 0.00 64.34 61.58 1bxr n VAL 640 Cb 0.48 0.67 0.05 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.06 1.48 -0.30 7.34 3.00 -1.26 -3.11 117.38 124.60 1bxr n GLN 641 Ca 0.05 -1.21 0.08 0.00 -0.01 0.00 0.00 57.00 55.90 1bxr n GLN 641 Cb 0.28 -1.47 0.23 0.00 0.00 0.00 0.00 30.24 29.27 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 0.30 0.74 -1.59 1.08 4.02 -1.26 -2.74 117.16 117.70 1bxr n TYR 642 Ca 0.11 -0.55 0.06 0.00 -0.01 0.00 0.00 57.90 57.51 1bxr n TYR 642 Cb 0.49 -0.07 0.11 0.00 -0.02 0.00 0.00 39.34 39.85 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 0.74 3.52 7.00 2.72 0.00 -1.25 -4.23 105.19 113.69 1bxr n GLY 643 Ca 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.80 -1.29 0.32 -0.02 0.00 -1.26 -3.70 105.19 98.45 1bxr n GLY 644 Ca 0.12 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.93 1bxr n GLY 644 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bxr h GLN 645 N 0.00 0.51 0.73 1.61 1.08 -1.95 -3.17 115.11 113.92 1bxr h GLN 645 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1bxr h GLN 645 Cb 0.00 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1bxr h GLN 645 CO 0.00 0.34 -0.46 1.79 -0.95 0.00 0.00 178.83 179.55 1bxr h THR 646 N 0.53 0.07 -0.34 -0.54 1.35 -1.90 -1.52 112.91 110.56 1bxr h THR 646 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.04 1bxr h THR 646 Cb 0.10 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.58 1bxr h THR 646 CO -0.05 0.00 0.19 -0.65 -0.25 0.00 0.00 175.52 174.76 1bxr h PRO 647 N -1.12 0.47 -0.43 4.72 0.10 -1.79 -2.78 132.00 131.16 1bxr h PRO 647 Ca -0.09 -0.05 0.05 0.00 0.10 0.00 0.00 66.00 66.00 1bxr h PRO 647 Cb 0.91 -0.09 -0.07 0.00 0.10 0.00 0.00 31.00 31.84 1bxr h PRO 647 CO 0.09 0.38 -0.45 1.25 0.10 0.00 0.00 178.00 179.37 1bxr h LEU 648 N 0.43 -1.53 -2.07 2.35 5.85 -1.48 0.24 115.31 119.11 1bxr h LEU 648 Ca 0.12 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1bxr h LEU 648 Cb 0.05 0.64 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1bxr h LEU 648 CO -0.02 -0.29 0.20 0.11 -0.34 0.00 0.00 178.44 178.10 1bxr h LYS 649 N -0.24 0.00 0.00 1.25 1.57 -1.24 -1.05 116.57 116.87 1bxr h LYS 649 Ca 0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1bxr h LYS 649 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1bxr h LYS 649 CO -0.53 0.00 -0.82 -0.07 -0.57 0.00 0.00 179.45 177.45 1bxr h LEU 650 N 0.00 0.00 -0.46 2.94 3.38 -0.51 -3.40 115.31 117.26 1bxr h LEU 650 Ca 0.12 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1bxr h LEU 650 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1bxr h LEU 650 CO -0.00 0.82 -0.27 0.00 0.09 0.00 0.00 178.44 179.08 1bxr n ALA 651 N -2.32 -0.29 -0.02 1.53 0.00 0.59 -1.15 120.51 118.83 1bxr n ALA 651 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1bxr n ALA 651 Cb 0.84 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.26 1bxr n ALA 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h ARG 652 N 0.00 -0.20 -0.18 0.00 3.08 -1.77 -1.52 114.38 113.79 1bxr h ARG 652 Ca 0.07 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1bxr h ARG 652 Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1bxr h ARG 652 CO -0.43 -0.13 0.14 0.00 -1.07 0.00 0.00 179.97 178.48 1bxr h ALA 653 N -0.91 2.06 -0.14 0.04 0.00 -1.73 -1.15 119.26 117.43 1bxr h ALA 653 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 653 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bxr h ALA 653 CO -0.20 -0.24 -0.08 -0.07 0.00 0.00 0.00 179.25 178.66 1bxr h LEU 654 N 0.00 0.30 -0.87 0.00 3.38 -0.18 -2.11 115.31 115.84 1bxr h LEU 654 Ca 0.09 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1bxr h LEU 654 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1bxr h LEU 654 CO -0.00 0.67 -0.52 -0.08 0.09 0.00 0.00 178.44 178.60 1bxr h GLU 655 N -0.06 0.12 0.00 1.13 4.81 -0.73 0.23 114.58 120.08 1bxr h GLU 655 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1bxr h GLU 655 Cb 0.56 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1bxr h GLU 655 CO 0.02 0.61 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1bxr h ALA 656 N 1.38 1.00 -0.63 2.92 0.00 -1.14 0.13 119.26 122.93 1bxr h ALA 656 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 656 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1bxr h ALA 656 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1bxr n ALA 657 N -1.80 2.40 -0.16 0.00 0.00 -0.33 -4.90 120.51 115.71 1bxr n ALA 657 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1bxr n ALA 657 Cb 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.58 0.66 3.71 0.00 0.00 0.47 -5.03 105.19 106.58 1bxr n GLY 658 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.41 2.94 -1.44 1.61 1.01 0.66 -4.87 120.40 117.89 1bxr s VAL 659 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 1bxr s VAL 659 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 33.05 1bxr s VAL 659 CO 0.00 0.03 2.19 -0.81 0.00 0.00 0.00 175.10 176.51 1bxr n PRO 660 N 4.49 2.91 -2.01 2.72 -0.04 -1.26 -3.96 135.00 137.86 1bxr n PRO 660 Ca 0.14 -2.68 -0.42 0.00 -0.04 0.00 0.00 63.50 60.49 1bxr n PRO 660 Cb 0.40 -3.27 -0.03 0.00 -0.04 0.00 0.00 33.50 30.56 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 3.03 3.47 0.64 0.52 1.01 -1.26 0.29 120.40 128.10 1bxr s VAL 661 Ca 0.47 0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1bxr s VAL 661 Cb 0.13 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1bxr s VAL 661 CO -0.08 -0.47 0.91 0.27 0.00 0.00 0.00 175.10 175.74 1bxr s ILE 662 N 7.11 2.49 0.16 2.22 -4.36 -0.81 -4.84 121.20 123.18 1bxr s ILE 662 Ca 0.78 -0.42 0.00 0.00 -0.26 0.00 0.00 60.65 60.75 1bxr s ILE 662 Cb -0.21 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1bxr s ILE 662 CO 0.32 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 176.09 1bxr n GLY 663 N -2.67 -1.62 2.49 6.27 0.00 -1.25 -4.65 105.19 103.76 1bxr n GLY 663 Ca 0.08 -1.36 -0.45 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.57 0.00 -0.90 2.61 -1.04 -0.66 -4.84 114.28 106.89 1bxr n THR 664 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1bxr n THR 664 Cb 0.30 -0.34 0.12 0.00 -1.82 0.00 0.00 70.33 68.59 1bxr n THR 664 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1bxr n SER 665 N 3.35 -1.00 -0.18 8.00 3.41 -1.26 -4.75 113.62 121.19 1bxr n SER 665 Ca 0.25 0.43 -0.07 0.00 -0.26 0.00 0.00 58.87 59.23 1bxr n SER 665 Cb -0.04 -1.31 0.09 0.00 -0.26 0.00 0.00 64.21 62.69 1bxr n SER 665 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1bxr h PRO 666 N -1.33 0.97 -0.29 4.33 0.11 -1.91 0.39 132.00 134.27 1bxr h PRO 666 Ca -0.44 -0.27 -0.08 0.00 0.11 0.00 0.00 66.00 65.31 1bxr h PRO 666 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1bxr h PRO 666 CO 0.39 0.94 -0.14 0.22 -0.21 0.00 0.00 178.00 179.20 1bxr h ASP 667 N 0.90 0.62 -0.58 -2.05 3.58 -1.97 0.48 116.42 117.41 1bxr h ASP 667 Ca 0.17 -0.41 0.07 0.00 0.42 0.00 0.00 57.03 57.29 1bxr h ASP 667 Cb 0.48 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 1bxr h ASP 667 CO 0.02 0.89 0.26 0.00 -2.88 0.00 0.00 179.24 177.53 1bxr h ALA 668 N 0.75 0.75 -0.51 -0.78 0.00 -1.78 0.51 119.26 118.20 1bxr h ALA 668 Ca 0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1bxr h ALA 668 Cb 0.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1bxr h ALA 668 CO 0.04 -0.12 0.27 0.82 0.00 0.00 0.00 179.25 180.26 1bxr h ILE 669 N 0.48 0.98 -0.78 0.00 2.04 0.17 -0.87 117.51 119.54 1bxr h ILE 669 Ca 0.27 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1bxr h ILE 669 Cb 0.26 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1bxr h ILE 669 CO -0.23 0.10 0.51 -0.78 0.00 0.00 0.00 178.15 177.74 1bxr h ASP 670 N 0.53 0.71 -0.45 1.72 3.58 0.35 0.27 116.42 123.13 1bxr h ASP 670 Ca 0.22 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1bxr h ASP 670 Cb 0.11 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1bxr h ASP 670 CO -0.14 0.45 0.30 0.03 -2.88 0.00 0.00 179.24 177.00 1bxr h ARG 671 N 0.81 0.60 0.00 0.28 2.47 0.13 -0.16 114.38 118.51 1bxr h ARG 671 Ca 0.34 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.76 1bxr h ARG 671 Cb 0.28 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 1bxr h ARG 671 CO -0.12 0.40 -2.06 0.00 0.56 0.00 0.00 179.97 178.75 1bxr n ALA 672 N -2.47 1.80 0.13 0.04 0.00 -0.34 -0.86 120.51 118.81 1bxr n ALA 672 Ca 0.04 -0.98 0.07 0.00 0.00 0.00 0.00 53.44 52.56 1bxr n ALA 672 Cb 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 19.45 19.04 1bxr n ALA 672 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bxr h GLU 673 N 0.00 0.00 -5.44 0.00 4.39 -0.41 -3.42 114.58 109.70 1bxr h GLU 673 Ca -0.35 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.70 1bxr h GLU 673 Cb 1.88 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.38 1bxr h GLU 673 CO 0.03 0.20 0.14 0.34 -1.16 0.00 0.00 179.01 178.57 1bxr s ASP 674 N -5.99 6.33 0.56 1.42 -1.08 -0.08 -2.72 116.67 115.11 1bxr s ASP 674 Ca 0.02 -0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.01 1bxr s ASP 674 Cb 0.08 -2.32 1.61 0.00 -1.46 0.00 0.00 42.92 40.82 1bxr s ASP 674 CO 0.75 -0.78 2.20 0.03 0.52 0.00 0.00 175.17 177.89 1bxr h ARG 675 N 8.86 0.00 0.00 4.34 3.08 -1.81 0.40 114.38 129.26 1bxr h ARG 675 Ca -0.25 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.61 1bxr h ARG 675 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1bxr h ARG 675 CO 0.89 0.02 -0.86 1.49 -1.07 0.00 0.00 179.97 180.45 1bxr h GLU 676 N 0.00 0.10 -0.09 0.04 4.81 -1.91 -2.54 114.58 114.98 1bxr h GLU 676 Ca -0.00 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 1bxr h GLU 676 Cb 0.05 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1bxr h GLU 676 CO 0.00 0.89 -0.46 0.00 -0.73 0.00 0.00 179.01 178.71 1bxr h ARG 677 N 0.05 0.48 0.04 1.92 2.47 -1.12 -3.22 114.38 115.00 1bxr h ARG 677 Ca -0.03 -0.39 0.01 0.00 -1.26 0.00 0.00 59.98 58.31 1bxr h ARG 677 Cb 1.49 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.88 1bxr h ARG 677 CO 0.12 1.02 -0.08 0.35 0.56 0.00 0.00 179.97 181.94 1bxr h PHE 678 N 0.05 -0.21 -0.26 3.04 3.57 0.17 -2.56 116.94 120.74 1bxr h PHE 678 Ca -0.03 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1bxr h PHE 678 Cb 1.11 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1bxr h PHE 678 CO 0.12 -0.13 0.34 0.37 -2.23 0.00 0.00 178.31 176.78 1bxr h GLN 679 N -0.16 0.00 0.13 1.11 4.15 -1.51 0.02 115.11 118.85 1bxr h GLN 679 Ca 0.02 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.13 1bxr h GLN 679 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1bxr h GLN 679 CO -0.06 0.00 -1.56 0.45 -1.93 0.00 0.00 178.83 175.73 1bxr h HIS 680 N 0.00 0.49 -0.04 3.99 3.86 -1.50 -2.94 115.15 119.01 1bxr h HIS 680 Ca 0.12 -0.36 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1bxr h HIS 680 Cb 0.80 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 1bxr h HIS 680 CO 0.00 1.42 -0.01 0.00 0.86 0.00 0.00 177.93 180.20 1bxr h ALA 681 N 0.44 0.05 -0.41 2.45 0.00 -0.62 -0.42 119.26 120.75 1bxr h ALA 681 Ca -0.26 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1bxr h ALA 681 Cb 2.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1bxr h ALA 681 CO 0.17 -0.25 0.04 0.28 0.00 0.00 0.00 179.25 179.48 1bxr h VAL 682 N -0.28 0.73 -0.46 0.00 2.07 -1.45 0.25 116.25 117.11 1bxr h VAL 682 Ca 0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1bxr h VAL 682 Cb 0.38 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1bxr h VAL 682 CO 0.00 0.03 0.26 -0.08 0.02 0.00 0.00 177.57 177.81 1bxr h GLU 683 N 0.15 0.51 -0.88 1.57 4.57 -1.45 -0.78 114.58 118.28 1bxr h GLU 683 Ca 0.20 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1bxr h GLU 683 Cb 0.27 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 1bxr h GLU 683 CO -0.31 0.34 0.57 -0.09 -1.18 0.00 0.00 179.01 178.35 1bxr h ARG 684 N 0.53 0.96 -0.28 1.92 2.43 0.40 -0.62 114.38 119.72 1bxr h ARG 684 Ca 0.19 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1bxr h ARG 684 Cb 0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1bxr h ARG 684 CO -0.10 0.64 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 1bxr n LEU 685 N -4.49 2.00 -3.90 3.80 4.77 0.74 -4.95 117.00 114.98 1bxr n LEU 685 Ca 0.13 -0.92 -0.28 0.00 -0.03 0.00 0.00 56.01 54.91 1bxr n LEU 685 Cb 0.20 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1bxr n LEU 685 CO 0.33 0.46 -0.19 0.29 -1.33 0.00 0.00 177.39 176.94 1bxr n LYS 686 N 0.56 -2.57 -3.53 3.23 5.02 -0.24 -5.01 118.16 115.62 1bxr n LYS 686 Ca 0.15 0.39 -0.21 0.00 -2.02 0.00 0.00 58.31 56.63 1bxr n LYS 686 Cb 0.35 -4.30 -0.03 0.00 -0.02 0.00 0.00 35.03 31.04 1bxr n LYS 686 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bxr s LEU 687 N -6.88 3.40 -0.11 -0.35 1.43 -0.74 -5.04 118.68 110.38 1bxr s LEU 687 Ca 0.15 -0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1bxr s LEU 687 Cb -0.06 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1bxr s LEU 687 CO 0.89 -0.67 0.61 -0.75 0.23 0.00 0.00 176.35 176.66 1bxr s LYS 688 N -4.15 4.36 -0.13 1.70 2.47 -1.26 -4.73 119.74 118.00 1bxr s LYS 688 Ca 0.48 0.69 -0.07 0.00 -1.56 0.00 0.00 55.97 55.51 1bxr s LYS 688 Cb -0.04 -3.47 0.05 0.00 -1.46 0.00 0.00 37.83 32.91 1bxr s LYS 688 CO 0.28 0.03 0.30 -1.14 0.16 0.00 0.00 175.35 174.99 1bxr s GLN 689 N 0.98 0.28 1.10 4.03 0.74 -1.26 0.05 119.66 125.58 1bxr s GLN 689 Ca 0.32 0.60 -0.16 0.00 0.05 0.00 0.00 55.36 56.17 1bxr s GLN 689 Cb -0.16 -0.05 0.14 0.00 1.10 0.00 0.00 33.01 34.03 1bxr s GLN 689 CO 0.14 -0.15 0.36 -2.30 -0.55 0.00 0.00 175.29 172.80 1bxr n PRO 690 N 4.08 -1.56 -1.86 1.67 -0.02 -1.26 -4.83 135.00 131.22 1bxr n PRO 690 Ca -0.23 -0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 60.39 1bxr n PRO 690 Cb 0.54 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1bxr n PRO 690 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxr s ALA 691 N -2.32 3.43 0.35 3.55 0.00 -1.26 -4.83 121.76 120.68 1bxr s ALA 691 Ca 0.60 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 53.50 1bxr s ALA 691 Cb -0.17 -3.84 0.01 0.00 0.00 0.00 0.00 23.12 19.11 1bxr s ALA 691 CO 0.66 -1.74 0.50 0.54 0.00 0.00 0.00 175.76 175.72 1bxr s ASN 692 N 4.52 0.86 -0.19 0.00 2.20 -1.26 -0.50 114.94 120.57 1bxr s ASN 692 Ca 0.82 -1.46 -0.28 0.00 -0.94 0.00 0.00 52.86 51.00 1bxr s ASN 692 Cb -0.35 0.68 0.09 0.00 -2.00 0.00 0.00 41.25 39.67 1bxr s ASN 692 CO 0.34 -1.33 0.83 0.00 -2.94 0.00 0.00 177.10 174.01 1bxr s ALA 693 N -3.00 -1.85 -0.24 3.54 0.00 -1.01 -4.97 121.76 114.23 1bxr s ALA 693 Ca 0.29 1.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.84 1bxr s ALA 693 Cb -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1bxr s ALA 693 CO 0.20 -0.32 0.24 0.99 0.00 0.00 0.00 175.76 176.87 1bxr s THR 694 N -0.39 5.29 -0.01 0.00 2.01 -1.26 -0.03 115.64 121.26 1bxr s THR 694 Ca -0.03 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.36 1bxr s THR 694 Cb -0.03 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1bxr s THR 694 CO 0.02 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.38 1bxr s VAL 695 N 1.37 1.33 -0.17 3.82 1.01 -0.54 -4.96 120.40 122.26 1bxr s VAL 695 Ca 0.11 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1bxr s VAL 695 Cb -0.14 -1.12 -0.15 0.00 0.00 0.00 0.00 36.38 34.97 1bxr s VAL 695 CO 0.07 0.35 -0.08 0.41 0.00 0.00 0.00 175.10 175.85 1bxr n THR 696 N 2.58 1.06 -4.42 3.92 -1.04 -1.26 -1.06 114.28 114.06 1bxr n THR 696 Ca -0.15 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.09 1bxr n THR 696 Cb 0.54 -0.95 -0.11 0.00 -1.82 0.00 0.00 70.33 67.99 1bxr n THR 696 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bxr s ALA 697 N -2.37 2.58 0.04 2.41 0.00 -1.26 -4.97 121.76 118.19 1bxr s ALA 697 Ca -0.18 -1.66 -0.22 0.00 0.00 0.00 0.00 51.96 49.90 1bxr s ALA 697 Cb 0.06 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.72 1bxr s ALA 697 CO 0.51 0.41 1.33 0.82 0.00 0.00 0.00 175.76 178.83 1bxr h ILE 698 N 3.07 0.00 -0.96 0.00 2.04 -1.96 0.63 117.51 120.33 1bxr h ILE 698 Ca -0.46 0.00 0.29 0.00 1.00 0.00 0.00 64.86 65.70 1bxr h ILE 698 Cb 1.21 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.13 1bxr h ILE 698 CO 0.50 0.00 0.22 -0.33 0.00 0.00 0.00 178.15 178.54 1bxr h GLU 699 N -0.74 0.08 0.03 2.37 3.07 -1.98 4.33 114.58 121.73 1bxr h GLU 699 Ca -0.07 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.56 1bxr h GLU 699 Cb 0.59 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1bxr h GLU 699 CO 0.08 0.05 -0.92 1.98 -1.40 0.00 0.00 179.01 178.80 1bxr h MET 700 N 0.08 0.57 -0.57 2.33 4.05 -1.97 -2.71 114.93 116.71 1bxr h MET 700 Ca 0.65 -0.65 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 1bxr h MET 700 Cb 1.44 0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 32.36 1bxr h MET 700 CO -0.80 1.26 0.20 0.00 0.23 0.00 0.00 176.91 177.80 1bxr h ALA 701 N 0.33 0.72 -0.45 0.39 0.00 0.70 0.23 119.26 121.18 1bxr h ALA 701 Ca -0.12 0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1bxr h ALA 701 Cb 1.60 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1bxr h ALA 701 CO 0.18 -0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.38 1bxr h VAL 702 N 0.37 0.55 -0.08 0.00 2.07 0.79 0.09 116.25 120.03 1bxr h VAL 702 Ca 0.29 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1bxr h VAL 702 Cb 0.35 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1bxr h VAL 702 CO -0.30 0.00 -0.11 -0.08 0.02 0.00 0.00 177.57 177.10 1bxr h GLU 703 N 0.00 0.22 -0.97 1.57 4.81 -1.08 -3.23 114.58 115.90 1bxr h GLU 703 Ca 0.22 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1bxr h GLU 703 Cb 0.33 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 1bxr h GLU 703 CO -0.47 0.68 0.62 -0.22 -0.73 0.00 0.00 179.01 178.89 1bxr h LYS 704 N -0.23 0.96 -0.36 1.92 1.63 -0.25 -2.60 116.57 117.64 1bxr h LYS 704 Ca 0.01 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1bxr h LYS 704 Cb 0.65 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1bxr h LYS 704 CO 0.03 0.64 0.21 0.00 -3.45 0.00 0.00 179.45 176.87 1bxr h ALA 705 N 1.53 0.45 -0.91 5.00 0.00 -1.00 -2.75 119.26 121.58 1bxr h ALA 705 Ca 0.46 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.62 1bxr h ALA 705 Cb 0.41 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.94 1bxr h ALA 705 CO -0.22 -0.13 0.21 0.87 0.00 0.00 0.00 179.25 179.98 1bxr h LYS 706 N 0.43 0.14 0.00 0.00 1.57 -1.49 -2.21 116.57 115.02 1bxr h LYS 706 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1bxr h LYS 706 Cb -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1bxr h LYS 706 CO -0.06 0.09 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 1bxr n GLU 707 N -5.29 0.00 -0.34 3.15 1.02 -1.06 -4.16 120.64 113.96 1bxr n GLU 707 Ca 0.23 0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.44 1bxr n GLU 707 Cb 0.75 -1.02 0.04 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.63 -0.47 0.00 -3.67 5.41 -1.07 -4.97 119.36 113.97 1bxr n ILE 708 Ca 0.00 2.08 0.00 0.00 1.00 0.00 0.00 62.75 65.83 1bxr n ILE 708 Cb 0.00 -2.74 0.00 0.00 -0.71 0.00 0.00 39.64 36.19 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 -1.42 2.92 3.81 7.39 0.00 -0.85 -4.88 105.19 112.16 1bxr n GLY 709 Ca 0.09 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.39 3.14 0.87 1.61 2.02 -1.26 -4.24 117.35 117.09 1bxr s TYR 710 Ca 0.00 -0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 56.52 1bxr s TYR 710 Cb 0.00 -1.47 0.11 0.00 -0.40 0.00 0.00 41.96 40.20 1bxr s TYR 710 CO 0.00 0.52 1.13 -1.25 -1.57 0.00 0.00 175.55 174.38 1bxr s PRO 711 N -3.43 1.52 0.09 -1.71 0.04 -1.26 -4.93 135.00 125.32 1bxr s PRO 711 Ca 0.32 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.75 1bxr s PRO 711 Cb -0.09 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1bxr s PRO 711 CO 0.24 -1.95 -0.07 -1.17 0.04 0.00 0.00 177.00 174.09 1bxr s LEU 712 N -5.90 2.47 -0.25 -3.56 0.20 0.48 -1.63 118.68 110.49 1bxr s LEU 712 Ca 0.63 -0.94 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 1bxr s LEU 712 Cb -0.14 -0.12 0.03 0.00 -0.43 0.00 0.00 46.19 45.53 1bxr s LEU 712 CO 0.53 -0.41 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.42 1bxr s VAL 713 N -3.25 2.80 -0.44 1.68 1.01 -0.19 0.04 120.40 122.05 1bxr s VAL 713 Ca 0.09 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1bxr s VAL 713 Cb 0.03 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1bxr s VAL 713 CO -0.03 0.19 1.03 -0.69 0.00 0.00 0.00 175.10 175.59 1bxr s VAL 714 N 1.31 4.39 -0.21 2.92 1.01 -0.80 -1.82 120.40 127.20 1bxr s VAL 714 Ca -0.00 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1bxr s VAL 714 Cb -0.17 -4.48 0.04 0.00 0.00 0.00 0.00 36.38 31.76 1bxr s VAL 714 CO -0.05 -0.82 -0.15 -0.13 0.00 0.00 0.00 175.10 173.95 1bxr s ARG 715 N 3.98 2.58 0.71 2.72 0.52 -0.21 -3.37 118.95 125.89 1bxr s ARG 715 Ca 0.42 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 1bxr s ARG 715 Cb -0.09 -2.63 0.02 0.00 0.52 0.00 0.00 34.95 32.77 1bxr s ARG 715 CO 0.26 -0.36 1.08 -2.14 0.02 0.00 0.00 175.30 174.17 1bxr s PRO 716 N 1.25 2.80 0.54 3.54 0.02 -1.26 0.44 135.00 142.33 1bxr s PRO 716 Ca -0.00 0.60 -0.06 0.00 0.02 0.00 0.00 61.00 61.56 1bxr s PRO 716 Cb -0.16 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 1bxr s PRO 716 CO -0.10 -1.11 0.85 -1.12 -0.33 0.00 0.00 177.00 175.20 1bxr s SER 717 N -4.16 5.95 -1.44 2.53 0.01 -1.23 -4.45 113.70 110.90 1bxr s SER 717 Ca 0.58 0.85 -0.12 0.00 1.31 0.00 0.00 55.95 58.58 1bxr s SER 717 Cb -0.12 -2.00 0.08 0.00 0.21 0.00 0.00 66.02 64.19 1bxr s SER 717 CO 0.53 -0.82 0.69 -1.22 0.41 0.00 0.00 173.24 172.83 1bxr n TYR 718 N -2.44 -1.95 -4.13 2.43 4.01 -1.10 -4.06 117.16 109.91 1bxr n TYR 718 Ca 0.03 0.65 -0.16 0.00 -0.16 0.00 0.00 57.90 58.25 1bxr n TYR 718 Cb 0.56 -3.39 -0.12 0.00 -0.31 0.00 0.00 39.34 36.08 1bxr n TYR 718 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1bxr s VAL 719 N -3.11 0.91 0.24 -0.72 -7.23 -1.26 -4.93 120.40 104.30 1bxr s VAL 719 Ca 0.52 -1.23 0.11 0.00 -1.81 0.00 0.00 61.98 59.57 1bxr s VAL 719 Cb -0.27 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 1bxr s VAL 719 CO 0.64 -0.28 -0.21 -1.48 -0.31 0.00 0.00 175.10 173.45 1bxr s LEU 720 N -1.69 2.52 -0.68 1.32 0.05 -1.26 -4.68 118.68 114.25 1bxr s LEU 720 Ca -0.05 -0.96 0.00 0.00 0.05 0.00 0.00 54.13 53.17 1bxr s LEU 720 Cb -0.10 -1.10 0.00 0.00 -2.05 0.00 0.00 46.19 42.94 1bxr s LEU 720 CO 0.02 0.06 0.00 0.61 -0.55 0.00 0.00 176.35 176.49 1bxr n GLY 721 N -0.25 0.86 3.94 -3.48 0.00 -1.26 -3.83 105.19 101.17 1bxr n GLY 721 Ca -0.08 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.16 -0.69 3.63 -0.02 0.00 -1.26 -2.27 105.19 102.41 1bxr n GLY 722 Ca -0.07 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.75 3.89 0.00 1.61 6.06 -1.25 -2.89 118.95 119.63 1bxr s ARG 723 Ca 0.34 1.07 0.00 0.00 -2.50 0.00 0.00 55.73 54.64 1bxr s ARG 723 Cb -0.15 -3.86 0.00 0.00 0.06 0.00 0.00 34.95 31.00 1bxr s ARG 723 CO 0.92 -1.14 0.00 0.00 -2.50 0.00 0.00 175.30 172.58 1bxr n ALA 724 N 7.57 0.00 -2.00 6.12 0.00 -1.26 -4.73 120.51 126.21 1bxr n ALA 724 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1bxr n ALA 724 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.41 4.65 -0.18 0.00 -1.94 -1.14 -4.58 119.30 115.69 1bxr s MET 725 Ca 0.00 1.67 -0.19 0.00 -1.71 0.00 0.00 55.69 55.46 1bxr s MET 725 Cb 0.00 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.62 1bxr s MET 725 CO 0.00 0.17 0.53 -1.21 -0.01 0.00 0.00 175.02 174.50 1bxr s GLU 726 N -0.59 0.65 -0.36 2.03 0.41 -1.22 -4.36 118.70 115.26 1bxr s GLU 726 Ca 0.47 0.66 -0.19 0.00 -0.41 0.00 0.00 54.97 55.51 1bxr s GLU 726 Cb -0.29 0.32 0.00 0.00 -1.78 0.00 0.00 34.13 32.38 1bxr s GLU 726 CO 0.35 -0.10 0.53 0.42 -0.49 0.00 0.00 175.26 175.98 1bxr s ILE 727 N 0.10 4.99 0.14 -1.63 1.01 -1.26 -1.91 121.20 122.64 1bxr s ILE 727 Ca -0.01 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 1bxr s ILE 727 Cb -0.04 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 1bxr s ILE 727 CO 0.02 -0.27 0.53 0.68 0.00 0.00 0.00 174.94 175.90 1bxr s VAL 728 N 2.45 4.90 0.00 2.92 -7.23 0.11 -4.92 120.40 118.62 1bxr s VAL 728 Ca 0.19 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1bxr s VAL 728 Cb -0.15 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1bxr s VAL 728 CO 0.14 0.22 0.00 -1.22 -0.31 0.00 0.00 175.10 173.93 1bxr n TYR 729 N 0.73 0.00 -3.86 2.82 4.01 -1.26 -0.39 117.16 119.22 1bxr n TYR 729 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 1bxr n TYR 729 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.56 1bxr n TYR 729 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1bxr s ASP 730 N -1.71 0.08 0.06 7.72 -4.77 -1.26 -4.77 116.67 112.02 1bxr s ASP 730 Ca 0.00 -1.11 -0.12 0.00 -3.30 0.00 0.00 52.55 48.02 1bxr s ASP 730 Cb 0.00 0.80 -0.03 0.00 -1.09 0.00 0.00 42.92 42.61 1bxr s ASP 730 CO 0.00 -1.58 0.93 -1.84 0.70 0.00 0.00 175.17 173.39 1bxr n GLU 731 N -0.52 -0.17 0.02 2.11 -0.00 -1.26 -2.57 120.64 118.25 1bxr n GLU 731 Ca -0.06 0.92 -0.11 0.00 -0.00 0.00 0.00 57.16 57.91 1bxr n GLU 731 Cb 0.60 -1.37 -0.04 0.00 -0.00 0.00 0.00 31.44 30.63 1bxr n GLU 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bxr h ALA 732 N -0.15 -0.40 -1.20 -1.84 0.00 -2.01 -2.35 119.26 111.31 1bxr h ALA 732 Ca 0.06 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.33 1bxr h ALA 732 Cb 0.16 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1bxr h ALA 732 CO -0.36 -0.81 0.85 -0.44 0.00 0.00 0.00 179.25 178.49 1bxr h ASP 733 N -0.42 0.07 0.25 0.00 5.19 -1.92 -1.71 116.42 117.88 1bxr h ASP 733 Ca 0.08 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1bxr h ASP 733 Cb 0.55 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1bxr h ASP 733 CO -0.32 0.01 -0.12 0.25 -3.12 0.00 0.00 179.24 175.93 1bxr h LEU 734 N 0.06 -0.29 -1.22 1.55 5.85 -1.28 -2.93 115.31 117.05 1bxr h LEU 734 Ca 0.59 0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.62 1bxr h LEU 734 Cb 2.24 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 43.22 1bxr h LEU 734 CO -0.06 0.02 0.66 0.03 -0.34 0.00 0.00 178.44 178.75 1bxr h ARG 735 N -0.78 0.36 0.48 1.25 3.08 -1.38 -0.44 114.38 116.96 1bxr h ARG 735 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1bxr h ARG 735 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1bxr h ARG 735 CO 0.06 0.24 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.88 1bxr h ARG 736 N 0.37 -0.62 -0.64 0.04 2.43 -1.44 -3.33 114.38 111.19 1bxr h ARG 736 Ca 0.67 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1bxr h ARG 736 Cb 1.64 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1bxr h ARG 736 CO -0.41 -0.36 0.00 0.66 -1.51 0.00 0.00 179.97 178.34 1bxr n TYR 737 N -5.32 1.31 0.00 2.20 4.01 -0.57 -4.61 117.16 114.18 1bxr n TYR 737 Ca -0.11 -0.52 -0.21 0.00 -0.16 0.00 0.00 57.90 56.89 1bxr n TYR 737 Cb 0.29 -0.22 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 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 3.61 0.41 -0.05 -0.72 3.57 -1.24 -3.26 116.94 119.26 1bxr h PHE 738 Ca 0.00 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.24 1bxr h PHE 738 Cb 1.30 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 1bxr h PHE 738 CO 0.68 1.48 -0.21 0.37 -2.23 0.00 0.00 178.31 178.40 1bxr h GLN 739 N -0.40 -0.30 -0.61 1.11 5.75 -1.81 -2.11 115.11 116.74 1bxr h GLN 739 Ca -0.27 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.38 1bxr h GLN 739 Cb 1.67 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 30.19 1bxr h GLN 739 CO 0.05 -0.20 0.04 1.15 -2.65 0.00 0.00 178.83 177.23 1bxr h THR 740 N -0.31 0.54 -0.97 2.39 2.02 -1.87 0.17 112.91 114.88 1bxr h THR 740 Ca 0.08 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1bxr h THR 740 Cb 0.41 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1bxr h THR 740 CO -0.23 0.03 0.60 0.00 0.37 0.00 0.00 175.52 176.29 1bxr h ALA 741 N 1.54 1.45 -0.30 6.16 0.00 -1.46 -2.27 119.26 124.37 1bxr h ALA 741 Ca 0.32 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1bxr h ALA 741 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bxr h ALA 741 CO -0.49 0.21 -0.33 0.28 0.00 0.00 0.00 179.25 178.92 1bxr h VAL 742 N 0.96 1.30 -0.72 0.00 2.07 -0.12 -2.45 116.25 117.29 1bxr h VAL 742 Ca 0.48 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1bxr h VAL 742 Cb 0.46 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1bxr h VAL 742 CO -0.26 0.48 0.48 0.77 0.02 0.00 0.00 177.57 179.06 1bxr h SER 743 N 0.50 0.54 0.49 0.57 4.64 -0.39 -1.92 113.55 117.98 1bxr h SER 743 Ca 0.04 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1bxr h SER 743 Cb 0.91 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1bxr h SER 743 CO 0.08 0.32 -1.56 1.33 -0.87 0.00 0.00 176.83 176.13 1bxr n VAL 744 N -4.49 0.52 -0.30 0.95 0.24 -1.13 -4.55 118.33 109.56 1bxr n VAL 744 Ca 0.12 -0.57 0.35 0.00 -2.04 0.00 0.00 64.34 62.19 1bxr n VAL 744 Cb 0.35 -0.27 0.66 0.00 -1.47 0.00 0.00 33.84 33.11 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 -3.87 -1.34 0.87 -0.83 -3.45 113.55 104.92 1bxr h SER 745 Ca -0.06 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1bxr h SER 745 Cb 1.18 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.22 1bxr h SER 745 CO 0.01 0.00 -0.39 -3.20 -0.53 0.00 0.00 176.83 172.71 1bxr n ASN 746 N -3.72 -2.12 -0.08 6.23 4.05 -1.26 -3.42 115.26 114.95 1bxr n ASN 746 Ca 0.26 -0.32 -0.01 0.00 0.45 0.00 0.00 54.58 54.96 1bxr n ASN 746 Cb 1.42 -2.86 -0.00 0.00 1.23 0.00 0.00 39.78 39.56 1bxr n ASN 746 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1bxr n ASP 747 N -2.10 -4.33 -4.93 1.20 2.03 -1.26 -4.93 116.55 102.23 1bxr n ASP 747 Ca -0.14 0.02 -0.21 0.00 0.52 0.00 0.00 54.79 54.98 1bxr n ASP 747 Cb 0.59 -2.74 -0.03 0.00 -0.72 0.00 0.00 41.12 38.22 1bxr n ASP 747 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bxr s ALA 748 N -0.82 3.83 0.37 -1.67 0.00 -1.22 -5.12 121.76 117.13 1bxr s ALA 748 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 1bxr s ALA 748 Cb 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1bxr s ALA 748 CO 0.00 0.25 0.83 -1.25 0.00 0.00 0.00 175.76 175.59 1bxr s PRO 749 N -3.93 4.10 -0.35 0.00 0.04 -1.26 -4.69 135.00 128.92 1bxr s PRO 749 Ca 0.34 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 1bxr s PRO 749 Cb -0.09 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1bxr s PRO 749 CO 0.28 0.08 0.75 0.08 0.04 0.00 0.00 177.00 178.23 1bxr s VAL 750 N -2.07 4.78 0.15 -0.36 1.01 -0.22 -3.55 120.40 120.15 1bxr s VAL 750 Ca 0.57 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1bxr s VAL 750 Cb -0.10 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1bxr s VAL 750 CO 0.16 -0.36 0.92 -0.22 0.00 0.00 0.00 175.10 175.59 1bxr s LEU 751 N 2.98 4.55 -0.70 3.92 2.96 0.17 -1.46 118.68 131.10 1bxr s LEU 751 Ca 0.30 1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 55.93 1bxr s LEU 751 Cb -0.14 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.20 1bxr s LEU 751 CO 0.15 0.04 0.57 -0.76 -1.32 0.00 0.00 176.35 175.03 1bxr s LEU 752 N -0.49 5.88 0.42 -0.68 1.02 0.96 -1.04 118.68 124.74 1bxr s LEU 752 Ca 0.43 -2.72 -0.02 0.00 0.02 0.00 0.00 54.13 51.84 1bxr s LEU 752 Cb -0.24 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 1bxr s LEU 752 CO 0.30 -0.47 0.67 -0.62 0.02 0.00 0.00 176.35 176.24 1bxr s ASP 753 N 1.42 6.23 -0.20 2.29 -1.08 -0.75 -2.40 116.67 122.18 1bxr s ASP 753 Ca 0.16 0.66 -0.13 0.00 -0.52 0.00 0.00 52.55 52.72 1bxr s ASP 753 Cb -0.17 -2.08 -0.05 0.00 -1.46 0.00 0.00 42.92 39.16 1bxr s ASP 753 CO -0.05 -0.47 0.27 -2.28 0.52 0.00 0.00 175.17 173.16 1bxr s HIS 754 N -2.54 3.38 -0.29 -5.34 5.65 0.34 -1.03 115.29 115.47 1bxr s HIS 754 Ca 0.44 0.46 -0.28 0.00 0.25 0.00 0.00 55.06 55.93 1bxr s HIS 754 Cb -0.10 -2.36 -0.03 0.00 -1.18 0.00 0.00 32.58 28.91 1bxr s HIS 754 CO 0.40 0.11 1.97 0.12 -0.65 0.00 0.00 174.74 176.69 1bxr s PHE 755 N 0.92 1.55 -0.49 3.88 5.36 -0.65 -4.73 117.98 123.82 1bxr s PHE 755 Ca 0.14 0.59 -0.25 0.00 -0.96 0.00 0.00 56.93 56.45 1bxr s PHE 755 Cb -0.13 -4.05 0.03 0.00 -0.34 0.00 0.00 43.02 38.53 1bxr s PHE 755 CO 0.05 -3.40 0.93 -0.51 -1.46 0.00 0.00 175.22 170.83 1bxr s LEU 756 N 7.48 4.02 0.83 6.12 1.43 -1.26 -4.81 118.68 132.48 1bxr s LEU 756 Ca 0.88 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 1bxr s LEU 756 Cb -0.27 -3.08 0.09 0.00 0.03 0.00 0.00 46.19 42.96 1bxr s LEU 756 CO 0.34 -1.11 1.10 -0.62 0.23 0.00 0.00 176.35 176.29 1bxr s ASP 757 N 2.45 4.18 -1.31 2.29 2.15 -1.26 -4.09 116.67 121.08 1bxr s ASP 757 Ca 0.35 1.34 -0.07 0.00 0.43 0.00 0.00 52.55 54.60 1bxr s ASP 757 Cb -0.11 -2.05 0.07 0.00 -0.30 0.00 0.00 42.92 40.53 1bxr s ASP 757 CO 0.24 -2.17 0.17 0.47 -0.17 0.00 0.00 175.17 173.71 1bxr n ASP 758 N -3.56 -0.02 -4.57 -0.34 8.00 -1.26 -4.92 116.55 109.88 1bxr n ASP 758 Ca 0.07 -1.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 1bxr n ASP 758 Cb 0.56 -1.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.30 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 -3.62 2.94 -0.04 2.24 0.00 -1.26 -4.81 121.76 117.20 1bxr s ALA 759 Ca 0.23 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 1bxr s ALA 759 Cb -0.14 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1bxr s ALA 759 CO 0.79 0.59 0.54 0.08 0.00 0.00 0.00 175.76 177.76 1bxr s VAL 760 N -0.91 5.01 0.07 0.00 1.01 -1.17 -0.73 120.40 123.69 1bxr s VAL 760 Ca 0.15 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 1bxr s VAL 760 Cb -0.11 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1bxr s VAL 760 CO 0.05 0.41 0.31 -0.70 0.00 0.00 0.00 175.10 175.17 1bxr s GLU 761 N -0.05 3.60 -0.03 2.72 2.12 -1.26 -1.40 118.70 124.40 1bxr s GLU 761 Ca 0.29 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1bxr s GLU 761 Cb -0.17 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.24 1bxr s GLU 761 CO 0.15 0.57 0.08 0.08 -0.54 0.00 0.00 175.26 175.60 1bxr s VAL 762 N -1.46 -0.01 -0.11 3.70 1.01 -0.69 0.08 120.40 122.93 1bxr s VAL 762 Ca 0.34 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1bxr s VAL 762 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1bxr s VAL 762 CO 0.21 0.01 -0.13 -1.81 0.00 0.00 0.00 175.10 173.38 1bxr s ASP 763 N 0.19 4.06 -0.09 3.32 1.01 -0.40 -0.94 116.67 123.81 1bxr s ASP 763 Ca -0.01 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 52.98 1bxr s ASP 763 Cb -0.02 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.53 1bxr s ASP 763 CO -0.01 0.22 -0.10 -0.69 0.21 0.00 0.00 175.17 174.80 1bxr s VAL 764 N 0.02 1.12 -0.19 -1.27 1.01 0.18 -1.80 120.40 119.47 1bxr s VAL 764 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1bxr s VAL 764 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1bxr s VAL 764 CO 0.04 0.37 0.05 -1.81 0.00 0.00 0.00 175.10 173.74 1bxr s ASP 765 N 1.15 5.34 0.16 3.32 1.01 -0.96 0.17 116.67 126.87 1bxr s ASP 765 Ca -0.05 -0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.13 1bxr s ASP 765 Cb -0.14 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1bxr s ASP 765 CO -0.02 0.12 0.16 0.00 0.21 0.00 0.00 175.17 175.64 1bxr s ALA 766 N 0.69 0.58 -0.14 5.23 0.00 0.12 -0.86 121.76 127.39 1bxr s ALA 766 Ca 0.02 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1bxr s ALA 766 Cb -0.13 0.95 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1bxr s ALA 766 CO 0.02 -0.57 -0.19 0.42 0.00 0.00 0.00 175.76 175.44 1bxr s ILE 767 N -4.04 1.83 -0.02 0.00 1.01 0.12 -0.49 121.20 119.61 1bxr s ILE 767 Ca 0.24 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1bxr s ILE 767 Cb 0.06 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1bxr s ILE 767 CO 0.03 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.37 1bxr n ASP 769 N 1.92 2.40 0.00 0.00 5.68 0.11 -2.21 116.55 124.44 1bxr n ASP 769 Ca -0.17 -2.59 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 1bxr n ASP 769 Cb 0.52 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.85 2.77 0.54 6.12 0.00 -1.25 -4.65 105.19 107.87 1bxr n GLY 770 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1bxr n GLY 770 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bxr n GLU 771 N -2.00 0.29 -4.46 1.61 2.13 -1.26 -5.07 120.64 111.88 1bxr n GLU 771 Ca 0.00 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 57.71 1bxr n GLU 771 Cb 0.00 -1.00 -0.09 0.00 0.27 0.00 0.00 31.44 30.62 1bxr n GLU 771 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bxr s MET 772 N -2.42 1.76 -0.05 5.31 0.23 -1.26 -5.14 119.30 117.73 1bxr s MET 772 Ca -0.17 -2.03 0.01 0.00 -1.03 0.00 0.00 55.69 52.47 1bxr s MET 772 Cb 0.04 -0.64 0.02 0.00 -1.53 0.00 0.00 34.83 32.72 1bxr s MET 772 CO 0.24 -0.36 -0.05 0.08 -2.03 0.00 0.00 175.02 172.90 1bxr s VAL 773 N -3.32 0.61 -0.16 5.16 1.01 -1.26 0.04 120.40 122.49 1bxr s VAL 773 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1bxr s VAL 773 Cb 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1bxr s VAL 773 CO 0.15 0.25 -0.09 -0.22 0.00 0.00 0.00 175.10 175.19 1bxr s LEU 774 N 1.05 2.88 -0.42 3.92 2.96 0.30 -4.95 118.68 124.43 1bxr s LEU 774 Ca -0.09 -0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 53.30 1bxr s LEU 774 Cb -0.14 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1bxr s LEU 774 CO -0.01 0.13 0.77 -0.63 -1.32 0.00 0.00 176.35 175.29 1bxr s ILE 775 N 0.59 4.70 0.00 6.68 -1.09 -1.26 -0.70 121.20 130.12 1bxr s ILE 775 Ca -0.06 0.56 -0.24 0.00 -2.23 0.00 0.00 60.65 58.69 1bxr s ILE 775 Cb -0.15 -4.26 -0.13 0.00 -1.58 0.00 0.00 42.46 36.33 1bxr s ILE 775 CO 0.03 -0.60 1.00 1.23 -1.23 0.00 0.00 174.94 175.37 1bxr h GLY 776 N 9.94 -0.89 -5.05 6.18 0.00 -1.35 -3.40 103.07 108.49 1bxr h GLY 776 Ca -0.25 0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.50 1bxr h GLY 776 CO 0.93 -0.32 0.55 -0.32 0.00 0.00 0.00 176.54 177.38 1bxr s GLY 777 N -2.52 -0.14 -0.25 4.60 0.00 -1.16 -4.71 107.32 103.13 1bxr s GLY 777 Ca -0.12 2.50 -0.06 0.00 0.00 0.00 0.00 44.72 47.04 1bxr s GLY 777 CO 0.37 1.50 0.03 -0.42 0.00 0.00 0.00 173.10 174.58 1bxr s ILE 778 N -0.37 3.79 -0.17 0.90 1.01 -1.26 -2.26 121.20 122.85 1bxr s ILE 778 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1bxr s ILE 778 Cb -0.03 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 1bxr s ILE 778 CO -0.04 0.27 -0.13 -0.04 0.00 0.00 0.00 174.94 175.00 1bxr s MET 779 N 1.51 3.25 -0.24 2.79 -1.94 -0.75 -3.91 119.30 120.01 1bxr s MET 779 Ca 0.05 -0.72 -0.14 0.00 -1.71 0.00 0.00 55.69 53.16 1bxr s MET 779 Cb -0.16 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1bxr s MET 779 CO 0.00 -0.02 0.31 -2.00 -0.01 0.00 0.00 175.02 173.30 1bxr s GLU 780 N 0.92 4.07 0.57 2.03 2.12 -0.47 -1.28 118.70 126.67 1bxr s GLU 780 Ca -0.03 -0.03 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 1bxr s GLU 780 Cb -0.15 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 1bxr s GLU 780 CO -0.01 -0.11 1.08 -1.01 -0.54 0.00 0.00 175.26 174.66 1bxr s HIS 781 N 1.55 2.86 -0.11 5.30 3.76 0.11 -1.07 115.29 127.69 1bxr s HIS 781 Ca 0.13 1.54 -0.15 0.00 -0.15 0.00 0.00 55.06 56.44 1bxr s HIS 781 Cb -0.15 -3.11 -0.13 0.00 1.11 0.00 0.00 32.58 30.31 1bxr s HIS 781 CO 0.08 -1.24 0.44 0.82 -0.85 0.00 0.00 174.74 173.98 1bxr h ILE 782 N 0.80 0.83 -3.97 0.60 5.03 -1.28 -3.42 117.51 116.10 1bxr h ILE 782 Ca -0.48 -1.54 -0.51 0.00 -0.12 0.00 0.00 64.86 62.20 1bxr h ILE 782 Cb 1.23 1.54 0.06 0.00 -3.03 0.00 0.00 36.82 36.63 1bxr h ILE 782 CO 0.57 0.27 0.51 -1.61 -0.68 0.00 0.00 178.15 177.21 1bxr s GLU 783 N -2.10 3.87 0.93 2.37 8.01 -1.26 -4.60 118.70 125.92 1bxr s GLU 783 Ca -0.09 1.86 -0.12 0.00 0.01 0.00 0.00 54.97 56.63 1bxr s GLU 783 Cb -0.01 -2.55 0.15 0.00 -4.31 0.00 0.00 34.13 27.41 1bxr s GLU 783 CO 0.34 -0.48 1.09 1.14 0.01 0.00 0.00 175.26 177.36 1bxr s GLN 784 N -2.49 0.96 0.26 1.61 0.00 -1.26 -4.33 119.66 114.40 1bxr s GLN 784 Ca 0.61 0.71 -0.30 0.00 -0.00 0.00 0.00 55.36 56.37 1bxr s GLN 784 Cb -0.31 -1.78 -0.11 0.00 0.00 0.00 0.00 33.01 30.81 1bxr s GLN 784 CO 0.38 -2.42 1.55 0.00 0.00 0.00 0.00 175.29 174.81 1bxr s ALA 785 N -2.95 3.73 0.00 2.60 0.00 0.09 -2.39 121.76 122.84 1bxr s ALA 785 Ca 0.64 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1bxr s ALA 785 Cb -0.18 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1bxr s ALA 785 CO 0.57 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1bxr n GLY 786 N 2.46 1.40 3.49 0.00 0.00 -1.26 -4.75 105.19 106.53 1bxr n GLY 786 Ca 0.09 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.41 4.99 0.31 1.61 1.01 -1.01 -1.14 120.40 125.75 1bxr s VAL 787 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1bxr s VAL 787 Cb 0.00 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1bxr s VAL 787 CO 0.00 0.03 0.46 1.57 0.00 0.00 0.00 175.10 177.16 1bxr n HIS 788 N 5.05 -0.74 0.08 5.22 -0.00 0.39 -4.72 115.22 120.50 1bxr n HIS 788 Ca -0.13 0.78 0.09 0.00 0.46 0.00 0.00 57.72 58.92 1bxr n HIS 788 Cb 0.49 -1.95 0.55 0.00 -0.12 0.00 0.00 29.99 28.97 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 0.89 0.23 0.68 0.26 4.64 -1.93 0.06 113.55 118.36 1bxr h SER 789 Ca -0.34 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1bxr h SER 789 Cb 1.42 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1bxr h SER 789 CO 0.54 0.15 -0.13 1.23 -0.87 0.00 0.00 176.83 177.75 1bxr h GLY 790 N 0.26 0.00 -1.41 -0.77 0.00 -1.97 -2.33 103.07 96.84 1bxr h GLY 790 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1bxr h GLY 790 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 1bxr n ASP 791 N -3.40 2.87 -4.87 0.19 8.00 -0.07 -4.75 116.55 114.52 1bxr n ASP 791 Ca -0.01 -1.89 -0.32 0.00 0.71 0.00 0.00 54.79 53.28 1bxr n ASP 791 Cb 0.31 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.03 6.63 0.33 -2.24 0.01 -0.73 -4.82 113.70 111.87 1bxr s SER 792 Ca 0.25 0.99 -0.10 0.00 1.31 0.00 0.00 55.95 58.40 1bxr s SER 792 Cb 0.14 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 1bxr s SER 792 CO 0.18 -0.13 0.67 0.00 0.41 0.00 0.00 173.24 174.37 1bxr s ALA 793 N -1.91 3.45 0.06 1.44 0.00 -1.26 -4.59 121.76 118.95 1bxr s ALA 793 Ca 0.49 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1bxr s ALA 793 Cb -0.11 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1bxr s ALA 793 CO 0.22 0.20 0.14 0.00 0.00 0.00 0.00 175.76 176.32 1bxr s SER 795 N -2.51 2.86 -0.15 0.00 0.15 -0.24 -1.26 113.70 112.56 1bxr s SER 795 Ca 0.00 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 1bxr s SER 795 Cb 0.02 -0.89 0.05 0.00 -1.71 0.00 0.00 66.02 63.49 1bxr s SER 795 CO -0.08 0.21 0.00 -0.22 1.20 0.00 0.00 173.24 174.35 1bxr s LEU 796 N -0.02 1.12 0.89 3.45 0.20 0.41 -1.37 118.68 123.37 1bxr s LEU 796 Ca -0.07 -0.57 -0.13 0.00 0.69 0.00 0.00 54.13 54.06 1bxr s LEU 796 Cb -0.14 -0.63 0.16 0.00 -0.43 0.00 0.00 46.19 45.14 1bxr s LEU 796 CO 0.04 -0.24 1.24 -2.16 -0.29 0.00 0.00 176.35 174.94 1bxr s PRO 797 N 1.83 1.11 0.57 0.98 0.04 -1.26 -1.24 135.00 137.03 1bxr s PRO 797 Ca 0.01 -0.36 -0.18 0.00 0.04 0.00 0.00 61.00 60.52 1bxr s PRO 797 Cb -0.15 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1bxr s PRO 797 CO -0.07 -2.08 0.47 0.00 0.04 0.00 0.00 177.00 175.36 1bxr n ALA 798 N -3.53 -1.33 0.31 8.56 0.00 -1.23 -4.81 120.51 118.47 1bxr n ALA 798 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1bxr n ALA 798 Cb 0.60 -1.79 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.70 0.00 -0.02 0.00 4.11 -1.26 -4.77 117.16 113.51 1bxr n TYR 799 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1bxr n TYR 799 Cb 0.48 -0.01 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 -1.20 0.00 -2.28 -3.48 -2.24 -1.26 -5.09 114.28 98.73 1bxr n THR 800 Ca 0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1bxr n THR 800 Cb 0.11 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 4.38 0.37 3.22 1.43 -1.26 -4.98 118.68 121.84 1bxr s LEU 801 Ca 0.00 2.22 -0.27 0.00 -1.03 0.00 0.00 54.13 55.05 1bxr s LEU 801 Cb 0.00 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 1bxr s LEU 801 CO 0.00 -0.55 1.22 -0.94 0.23 0.00 0.00 176.35 176.31 1bxr s SER 802 N 0.90 6.63 0.22 2.29 1.04 -1.26 -4.86 113.70 118.66 1bxr s SER 802 Ca 0.60 2.47 -0.07 0.00 0.48 0.00 0.00 55.95 59.43 1bxr s SER 802 Cb -0.34 -2.63 0.35 0.00 0.10 0.00 0.00 66.02 63.50 1bxr s SER 802 CO 0.31 -0.61 1.75 -0.61 0.98 0.00 0.00 173.24 175.06 1bxr h GLN 803 N 2.95 0.46 -0.88 4.02 5.75 -1.99 0.19 115.11 125.61 1bxr h GLN 803 Ca -0.49 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1bxr h GLN 803 Cb 1.23 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.60 1bxr h GLN 803 CO 0.64 0.30 0.51 1.49 -2.65 0.00 0.00 178.83 179.12 1bxr h GLU 804 N 0.47 0.78 -0.16 1.69 4.81 -1.99 0.21 114.58 120.40 1bxr h GLU 804 Ca 0.35 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.35 1bxr h GLU 804 Cb 0.45 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1bxr h GLU 804 CO -0.32 0.52 -0.64 0.97 -0.73 0.00 0.00 179.01 178.80 1bxr h ILE 805 N 0.81 1.32 -0.28 2.32 2.10 -1.26 -2.57 117.51 119.95 1bxr h ILE 805 Ca 0.44 -1.92 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 1bxr h ILE 805 Cb 0.47 1.89 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 1bxr h ILE 805 CO -0.28 0.60 0.10 1.56 -1.08 0.00 0.00 178.15 179.05 1bxr h GLN 806 N 0.43 0.43 -0.93 2.19 4.20 0.41 -0.94 115.11 120.90 1bxr h GLN 806 Ca -0.01 -0.08 0.18 0.00 0.06 0.00 0.00 58.65 58.80 1bxr h GLN 806 Cb 1.22 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.85 1bxr h GLN 806 CO 0.12 0.47 0.60 -0.44 -0.67 0.00 0.00 178.83 178.90 1bxr h ASP 807 N 0.30 0.57 -0.56 1.46 3.32 -0.54 0.91 116.42 121.87 1bxr h ASP 807 Ca 0.09 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1bxr h ASP 807 Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1bxr h ASP 807 CO -0.01 0.24 0.00 0.58 -1.72 0.00 0.00 179.24 178.34 1bxr h VAL 808 N 0.58 1.26 -0.39 -1.35 2.07 -0.92 -1.63 116.25 115.87 1bxr h VAL 808 Ca 0.49 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1bxr h VAL 808 Cb 0.98 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1bxr h VAL 808 CO -0.23 0.40 -0.06 0.24 0.02 0.00 0.00 177.57 177.94 1bxr h MET 809 N 0.87 0.74 -0.88 1.57 2.86 0.17 -2.02 114.93 118.24 1bxr h MET 809 Ca 0.16 -0.27 0.17 0.00 -2.06 0.00 0.00 59.70 57.71 1bxr h MET 809 Cb 0.54 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1bxr h MET 809 CO 0.03 0.86 0.57 0.00 1.06 0.00 0.00 176.91 179.43 1bxr h ARG 810 N 0.55 0.50 -0.11 1.72 3.08 0.89 -1.57 114.38 119.44 1bxr h ARG 810 Ca 0.10 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1bxr h ARG 810 Cb 0.57 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1bxr h ARG 810 CO 0.03 0.33 -0.19 0.37 -1.07 0.00 0.00 179.97 179.45 1bxr h GLN 811 N 0.52 0.32 -0.82 0.04 4.15 -0.92 -2.98 115.11 115.41 1bxr h GLN 811 Ca 0.45 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.75 1bxr h GLN 811 Cb 0.96 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 1bxr h GLN 811 CO -0.19 0.78 0.49 1.96 -1.93 0.00 0.00 178.83 179.94 1bxr h GLN 812 N -0.12 0.84 -0.12 1.69 4.20 -0.58 -0.32 115.11 120.71 1bxr h GLN 812 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1bxr h GLN 812 Cb 0.76 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1bxr h GLN 812 CO 0.04 0.56 0.08 0.28 -0.67 0.00 0.00 178.83 179.12 1bxr h VAL 813 N 0.87 1.03 0.03 -0.54 2.07 -1.48 0.17 116.25 118.40 1bxr h VAL 813 Ca 0.37 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.86 1bxr h VAL 813 Cb 0.23 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1bxr h VAL 813 CO -0.20 0.03 -0.33 -0.61 0.02 0.00 0.00 177.57 176.49 1bxr h GLN 814 N 0.16 -0.48 -0.77 1.57 4.15 -1.22 0.37 115.11 118.89 1bxr h GLN 814 Ca 0.04 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.67 1bxr h GLN 814 Cb -0.02 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 27.65 1bxr h GLN 814 CO -0.01 -0.32 -0.02 0.87 -1.93 0.00 0.00 178.83 177.42 1bxr h LYS 815 N -0.50 0.08 0.29 1.69 1.57 -0.68 -1.60 116.57 117.42 1bxr h LYS 815 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1bxr h LYS 815 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1bxr h LYS 815 CO -0.25 0.05 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.47 1bxr h LEU 816 N 0.08 -0.33 -0.71 2.94 3.38 0.76 -1.84 115.31 119.59 1bxr h LEU 816 Ca 0.42 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.37 1bxr h LEU 816 Cb 0.73 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 1bxr h LEU 816 CO -0.70 -0.11 -0.56 0.00 0.09 0.00 0.00 178.44 177.16 1bxr h ALA 817 N 0.12 -0.63 0.29 1.53 0.00 0.66 0.75 119.26 121.98 1bxr h ALA 817 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bxr h ALA 817 Cb 0.40 1.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1bxr h ALA 817 CO 0.07 -0.99 -0.16 0.74 0.00 0.00 0.00 179.25 178.90 1bxr h PHE 818 N -0.19 -0.41 -0.88 0.00 0.04 -1.50 0.13 116.94 114.12 1bxr h PHE 818 Ca 0.13 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.97 1bxr h PHE 818 Cb 0.51 0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.74 1bxr h PHE 818 CO -0.87 -0.25 0.57 1.49 -0.60 0.00 0.00 178.31 178.64 1bxr h GLU 819 N -0.42 0.89 0.00 1.51 4.57 -0.67 -1.32 114.58 119.15 1bxr h GLU 819 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1bxr h GLU 819 Cb 0.34 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1bxr h GLU 819 CO 0.05 0.59 0.00 -0.07 -1.18 0.00 0.00 179.01 178.40 1bxr h LEU 820 N 0.92 0.00 -1.48 1.64 3.38 0.11 -3.47 115.31 116.41 1bxr h LEU 820 Ca 0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.20 1bxr h LEU 820 Cb 0.33 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.15 1bxr h LEU 820 CO -0.16 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.03 1bxr n GLN 821 N -2.98 -3.29 -2.67 1.13 3.00 0.23 -4.78 117.38 108.03 1bxr n GLN 821 Ca 0.02 0.39 -0.40 0.00 -0.01 0.00 0.00 57.00 57.00 1bxr n GLN 821 Cb 0.40 -4.05 -0.06 0.00 0.00 0.00 0.00 30.24 26.54 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 -3.16 3.91 -0.32 5.09 1.01 0.06 -4.56 120.40 122.43 1bxr s VAL 822 Ca 0.11 1.91 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 1bxr s VAL 822 Cb -0.05 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.26 1bxr s VAL 822 CO 0.33 0.44 0.25 -0.13 0.00 0.00 0.00 175.10 176.00 1bxr s ARG 823 N -1.30 0.41 0.00 2.72 1.81 -1.26 -3.93 118.95 117.41 1bxr s ARG 823 Ca 0.42 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1bxr s ARG 823 Cb -0.27 -0.96 0.00 0.00 -0.45 0.00 0.00 34.95 33.27 1bxr s ARG 823 CO 0.34 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.26 1bxr n GLY 824 N 4.74 0.22 3.91 -3.53 0.00 -0.94 -1.65 105.19 107.94 1bxr n GLY 824 Ca 0.03 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 4.32 0.01 0.99 1.43 -1.26 -2.11 118.68 122.05 1bxr s LEU 825 Ca 0.00 0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 1bxr s LEU 825 Cb 0.00 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.16 1bxr s LEU 825 CO 0.00 0.13 0.31 0.00 0.23 0.00 0.00 176.35 177.02 1bxr s MET 826 N -2.51 0.73 -0.07 1.70 0.23 0.35 -2.68 119.30 117.06 1bxr s MET 826 Ca 0.37 -0.30 0.01 0.00 -1.03 0.00 0.00 55.69 54.74 1bxr s MET 826 Cb -0.13 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1bxr s MET 826 CO 0.26 -0.21 -0.08 1.21 -2.03 0.00 0.00 175.02 174.16 1bxr s ASN 827 N -1.60 1.53 -0.07 -1.18 3.84 0.34 0.16 114.94 117.96 1bxr s ASN 827 Ca -0.10 -0.22 0.04 0.00 0.21 0.00 0.00 52.86 52.78 1bxr s ASN 827 Cb -0.04 -0.67 -0.02 0.00 -0.55 0.00 0.00 41.25 39.98 1bxr s ASN 827 CO 0.02 -0.04 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.43 1bxr s VAL 828 N 1.00 2.78 -0.17 -5.21 1.01 0.46 -1.20 120.40 119.06 1bxr s VAL 828 Ca -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1bxr s VAL 828 Cb -0.15 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1bxr s VAL 828 CO 0.00 0.57 -0.09 -1.10 0.00 0.00 0.00 175.10 174.48 1bxr s GLN 829 N -0.37 3.39 0.48 2.72 -0.21 -0.04 0.52 119.66 126.16 1bxr s GLN 829 Ca 0.03 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1bxr s GLN 829 Cb -0.12 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 1bxr s GLN 829 CO 0.02 0.03 0.04 -0.06 -2.12 0.00 0.00 175.29 173.20 1bxr s PHE 830 N 0.85 1.85 -0.11 0.91 0.08 -0.12 -0.65 117.98 120.79 1bxr s PHE 830 Ca -0.03 -1.04 -0.06 0.00 0.12 0.00 0.00 56.93 55.93 1bxr s PHE 830 Cb -0.15 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1bxr s PHE 830 CO 0.01 0.09 0.27 0.00 -0.10 0.00 0.00 175.22 175.49 1bxr s ALA 831 N -2.96 -0.61 -0.44 5.36 0.00 -0.70 -1.70 121.76 120.71 1bxr s ALA 831 Ca 0.11 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.04 1bxr s ALA 831 Cb 0.02 -0.71 0.11 0.00 0.00 0.00 0.00 23.12 22.54 1bxr s ALA 831 CO 0.06 -0.26 0.29 0.08 0.00 0.00 0.00 175.76 175.93 1bxr s VAL 832 N 1.41 3.92 -0.15 0.00 1.01 -0.49 0.23 120.40 126.33 1bxr s VAL 832 Ca -0.08 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.09 1bxr s VAL 832 Cb -0.10 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1bxr s VAL 832 CO -0.09 -0.70 -0.14 -0.75 0.00 0.00 0.00 175.10 173.42 1bxr s LYS 833 N 1.30 3.29 -1.21 2.72 2.20 -0.15 -3.03 119.74 124.86 1bxr s LYS 833 Ca 0.06 -0.72 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 1bxr s LYS 833 Cb -0.25 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1bxr s LYS 833 CO -0.01 0.10 0.68 0.09 -0.36 0.00 0.00 175.35 175.84 1bxr n ASN 834 N 3.85 -4.09 -0.25 1.43 4.13 -1.26 -0.01 115.26 119.06 1bxr n ASN 834 Ca -0.19 -1.15 -0.03 0.00 1.68 0.00 0.00 54.58 54.89 1bxr n ASN 834 Cb 0.52 -2.52 -0.01 0.00 -1.54 0.00 0.00 39.78 36.23 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 -2.48 -4.74 -4.70 6.41 4.05 -1.26 -4.94 115.26 107.60 1bxr n ASN 835 Ca -0.13 0.07 -0.35 0.00 0.45 0.00 0.00 54.58 54.62 1bxr n ASN 835 Cb 0.59 -3.08 -0.09 0.00 1.23 0.00 0.00 39.78 38.43 1bxr n ASN 835 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1bxr s GLU 836 N -1.90 3.05 -0.37 1.20 2.02 0.99 -5.04 118.70 118.65 1bxr s GLU 836 Ca 0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 1bxr s GLU 836 Cb 0.00 -2.84 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 1bxr s GLU 836 CO 0.00 0.69 0.41 0.08 0.02 0.00 0.00 175.26 176.47 1bxr s VAL 837 N -0.85 5.11 0.07 2.63 1.01 -1.26 -0.97 120.40 126.14 1bxr s VAL 837 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1bxr s VAL 837 Cb -0.11 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1bxr s VAL 837 CO 0.02 -0.22 0.12 -0.31 0.00 0.00 0.00 175.10 174.72 1bxr s TYR 838 N 2.12 3.30 -0.28 5.22 1.51 0.14 -4.45 117.35 124.91 1bxr s TYR 838 Ca 0.13 0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 56.18 1bxr s TYR 838 Cb -0.16 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1bxr s TYR 838 CO 0.13 0.54 0.34 -1.17 -1.11 0.00 0.00 175.55 174.29 1bxr s LEU 839 N -2.42 4.09 -0.17 -1.29 2.96 0.11 -1.71 118.68 120.25 1bxr s LEU 839 Ca 0.31 0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 54.20 1bxr s LEU 839 Cb -0.12 -2.37 -0.16 0.00 0.50 0.00 0.00 46.19 44.04 1bxr s LEU 839 CO 0.24 -0.19 0.25 0.40 -1.32 0.00 0.00 176.35 175.73 1bxr h ILE 840 N 5.41 0.85 -1.74 6.68 2.04 -1.20 -3.41 117.51 126.15 1bxr h ILE 840 Ca -0.32 -1.86 0.40 0.00 1.00 0.00 0.00 64.86 64.08 1bxr h ILE 840 Cb 1.16 1.83 -0.10 0.00 -0.74 0.00 0.00 36.82 38.98 1bxr h ILE 840 CO 0.64 0.29 1.00 -1.83 0.00 0.00 0.00 178.15 178.24 1bxr s GLU 841 N -2.21 0.07 -0.06 2.37 -1.05 -1.06 -5.01 118.70 111.75 1bxr s GLU 841 Ca -0.20 -0.04 -0.03 0.00 -0.15 0.00 0.00 54.97 54.55 1bxr s GLU 841 Cb 0.02 0.02 0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1bxr s GLU 841 CO 0.48 -0.03 0.13 0.08 0.95 0.00 0.00 175.26 176.87 1bxr s VAL 842 N -2.02 -0.08 -0.37 1.83 1.01 -1.26 -0.86 120.40 118.65 1bxr s VAL 842 Ca 0.27 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 1bxr s VAL 842 Cb 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.21 1bxr s VAL 842 CO -0.04 0.09 0.18 0.20 0.00 0.00 0.00 175.10 175.53 1bxr s ASN 843 N 1.33 5.61 0.00 3.32 0.01 -0.34 -4.62 114.94 120.25 1bxr s ASN 843 Ca -0.07 -1.09 -0.05 0.00 -0.71 0.00 0.00 52.86 50.93 1bxr s ASN 843 Cb -0.12 -1.98 -0.23 0.00 0.41 0.00 0.00 41.25 39.34 1bxr s ASN 843 CO -0.06 -0.39 3.20 -0.81 -1.51 0.00 0.00 177.10 177.54 1bxr n PRO 844 N 4.94 1.73 -2.78 -0.60 -0.04 -1.26 -0.50 135.00 136.48 1bxr n PRO 844 Ca -0.12 -0.85 -0.02 0.00 -0.04 0.00 0.00 63.50 62.47 1bxr n PRO 844 Cb 0.45 -1.91 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.53 0.43 -2.30 0.54 1.85 -1.09 -4.88 116.66 113.74 1bxr n ARG 845 Ca 0.37 -0.94 -0.42 0.00 -1.00 0.00 0.00 57.85 55.85 1bxr n ARG 845 Cb 0.80 1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 33.43 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 -1.60 3.60 0.40 2.89 0.00 -1.11 -3.67 121.76 122.27 1bxr s ALA 846 Ca 0.12 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1bxr s ALA 846 Cb -0.02 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1bxr s ALA 846 CO 0.04 -1.05 0.58 0.00 0.00 0.00 0.00 175.76 175.33 1bxr s ALA 847 N 2.99 3.93 -1.02 0.00 0.00 -1.26 -4.80 121.76 121.60 1bxr s ALA 847 Ca 0.61 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1bxr s ALA 847 Cb -0.27 -1.96 0.11 0.00 0.00 0.00 0.00 23.12 21.00 1bxr s ALA 847 CO 0.22 -0.22 1.07 2.89 0.00 0.00 0.00 175.76 179.72 1bxr n ARG 848 N -1.89 0.00 0.15 0.00 1.85 -1.26 -2.48 116.66 113.03 1bxr n ARG 848 Ca 0.00 0.45 0.06 0.00 -1.00 0.00 0.00 57.85 57.36 1bxr n ARG 848 Cb 0.58 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.54 1bxr n ARG 848 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1bxr h THR 849 N 0.00 0.50 -0.70 8.89 1.35 -1.96 -3.40 112.91 117.60 1bxr h THR 849 Ca 0.00 -1.74 0.14 0.00 -0.55 0.00 0.00 66.41 64.25 1bxr h THR 849 Cb 0.04 2.18 -0.13 0.00 -1.73 0.00 0.00 68.15 68.51 1bxr h THR 849 CO 0.00 0.29 -0.21 0.58 -0.25 0.00 0.00 175.52 175.93 1bxr h VAL 850 N 0.00 0.26 -0.52 6.82 2.07 -1.87 0.11 116.25 123.12 1bxr h VAL 850 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1bxr h VAL 850 Cb 1.27 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1bxr h VAL 850 CO 0.04 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 177.25 1bxr h PRO 851 N -0.03 0.74 -0.65 1.57 0.11 -1.83 0.50 132.00 132.41 1bxr h PRO 851 Ca 0.33 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1bxr h PRO 851 Cb 0.53 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1bxr h PRO 851 CO -0.73 0.59 0.38 0.35 -0.21 0.00 0.00 178.00 178.38 1bxr h PHE 852 N 0.70 0.88 -0.09 0.65 3.57 -1.33 -0.10 116.94 121.22 1bxr h PHE 852 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1bxr h PHE 852 Cb 0.08 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1bxr h PHE 852 CO -0.01 0.61 0.01 0.28 -2.23 0.00 0.00 178.31 176.97 1bxr h VAL 853 N 0.89 1.22 -0.72 1.41 2.07 -0.48 -0.48 116.25 120.16 1bxr h VAL 853 Ca 0.23 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1bxr h VAL 853 Cb 0.01 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1bxr h VAL 853 CO -0.04 0.20 0.35 0.28 0.02 0.00 0.00 177.57 178.38 1bxr h SER 854 N -0.10 0.45 -0.17 0.57 0.02 0.23 0.27 113.55 114.82 1bxr h SER 854 Ca 0.03 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1bxr h SER 854 Cb 0.30 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1bxr h SER 854 CO 0.00 0.25 -0.32 0.50 -1.14 0.00 0.00 176.83 176.12 1bxr h LYS 855 N 0.59 0.67 -0.02 3.45 1.63 -0.86 0.19 116.57 122.22 1bxr h LYS 855 Ca 0.36 -0.31 -0.20 0.00 -0.85 0.00 0.00 60.65 59.65 1bxr h LYS 855 Cb 0.40 -0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1bxr h LYS 855 CO -0.28 0.90 -0.79 0.00 -3.45 0.00 0.00 179.45 175.83 1bxr h ALA 856 N 1.08 0.12 0.00 5.00 0.00 0.06 -3.35 119.26 122.16 1bxr h ALA 856 Ca 0.06 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 1bxr h ALA 856 Cb 0.83 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1bxr h ALA 856 CO 0.07 0.51 -1.08 1.79 0.00 0.00 0.00 179.25 180.54 1bxr h THR 857 N 0.15 1.56 0.00 0.00 1.35 -0.51 -3.47 112.91 112.00 1bxr h THR 857 Ca -0.09 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 1bxr h THR 857 Cb 1.47 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 1bxr h THR 857 CO 0.16 0.89 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 1bxr n GLY 858 N 1.37 0.74 3.29 5.82 0.00 0.65 -4.99 105.19 112.08 1bxr n GLY 858 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 4.84 0.00 1.61 1.01 -1.19 -4.99 120.40 119.11 1bxr s VAL 859 Ca 0.00 -1.51 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 1bxr s VAL 859 Cb 0.00 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 32.08 1bxr s VAL 859 CO 0.00 -0.77 1.21 -0.81 0.00 0.00 0.00 175.10 174.73 1bxr n PRO 860 N 5.11 0.00 -0.36 2.72 -0.04 -1.26 -4.32 135.00 136.85 1bxr n PRO 860 Ca -0.12 -0.68 0.28 0.00 -0.04 0.00 0.00 63.50 62.94 1bxr n PRO 860 Cb 0.41 -2.08 0.55 0.00 -0.04 0.00 0.00 33.50 32.35 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 13.86 0.38 -0.76 1.53 3.38 -1.91 -0.59 115.31 131.21 1bxr h LEU 861 Ca 0.15 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1bxr h LEU 861 Cb 0.48 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1bxr h LEU 861 CO 1.47 -0.02 -0.05 0.00 0.09 0.00 0.00 178.44 179.93 1bxr h ALA 862 N 1.63 0.95 0.59 1.53 0.00 -1.91 -2.09 119.26 119.97 1bxr h ALA 862 Ca 0.68 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1bxr h ALA 862 Cb 1.88 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1bxr h ALA 862 CO -0.36 0.62 -0.28 0.87 0.00 0.00 0.00 179.25 180.10 1bxr h LYS 863 N 0.81 -0.76 0.05 0.00 1.57 -1.34 -0.19 116.57 116.71 1bxr h LYS 863 Ca 0.14 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1bxr h LYS 863 Cb 0.56 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1bxr h LYS 863 CO 0.03 -0.48 -0.41 0.28 -0.57 0.00 0.00 179.45 178.31 1bxr h VAL 864 N -0.89 0.17 -0.06 0.50 2.07 -1.54 0.63 116.25 117.14 1bxr h VAL 864 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1bxr h VAL 864 Cb 0.64 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1bxr h VAL 864 CO 0.13 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.78 1bxr h ALA 865 N -0.06 1.77 -0.16 1.67 0.00 -1.36 0.54 119.26 121.66 1bxr h ALA 865 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bxr h ALA 865 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bxr h ALA 865 CO -0.28 -0.08 -0.20 0.00 0.00 0.00 0.00 179.25 178.69 1bxr h ALA 866 N 1.95 0.24 -0.42 0.00 0.00 0.12 -0.93 119.26 120.21 1bxr h ALA 866 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1bxr h ALA 866 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bxr h ALA 866 CO -0.00 0.17 0.23 0.00 0.00 0.00 0.00 179.25 179.65 1bxr h ARG 867 N 0.04 0.46 -0.56 0.00 3.08 0.31 -2.00 114.38 115.71 1bxr h ARG 867 Ca 0.02 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1bxr h ARG 867 Cb 0.75 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1bxr h ARG 867 CO 0.05 0.30 0.24 0.28 -1.07 0.00 0.00 179.97 179.77 1bxr h VAL 868 N 0.47 0.86 -0.35 2.04 2.07 0.00 -0.59 116.25 120.76 1bxr h VAL 868 Ca 0.17 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1bxr h VAL 868 Cb 0.04 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1bxr h VAL 868 CO -0.09 0.08 0.25 0.24 0.02 0.00 0.00 177.57 178.07 1bxr h MET 869 N 0.46 0.01 0.00 1.57 2.86 -0.43 -1.89 114.93 117.50 1bxr h MET 869 Ca 0.27 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1bxr h MET 869 Cb 0.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1bxr h MET 869 CO -0.23 0.01 -0.31 0.00 1.06 0.00 0.00 176.91 177.43 1bxr h ALA 870 N 1.82 0.84 0.00 6.32 0.00 -0.72 -3.30 119.26 124.22 1bxr h ALA 870 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bxr h ALA 870 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1bxr h ALA 870 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1bxr n GLY 871 N 1.16 0.94 3.38 0.00 0.00 -0.71 -5.10 105.19 104.86 1bxr n GLY 871 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 3.55 0.91 1.61 2.20 -1.09 -5.00 119.74 121.92 1bxr s LYS 872 Ca 0.00 -2.09 -0.16 0.00 -0.36 0.00 0.00 55.97 53.36 1bxr s LYS 872 Cb 0.00 -4.60 -0.14 0.00 -1.51 0.00 0.00 37.83 31.58 1bxr s LYS 872 CO 0.00 -1.50 -0.73 -1.13 -0.36 0.00 0.00 175.35 171.63 1bxr n SER 873 N 5.17 -5.51 -0.06 1.43 3.41 -1.26 -3.74 113.62 113.06 1bxr n SER 873 Ca 0.15 0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 1bxr n SER 873 Cb 0.47 -0.69 0.17 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.90 0.66 0.02 1.04 3.38 -1.94 -0.73 115.31 116.84 1bxr h LEU 874 Ca -0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 1bxr h LEU 874 Cb 1.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1bxr h LEU 874 CO 0.21 0.81 -0.01 0.00 0.09 0.00 0.00 178.44 179.54 1bxr h ALA 875 N 1.26 -0.03 0.00 1.53 0.00 -1.89 0.25 119.26 120.37 1bxr h ALA 875 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1bxr h ALA 875 Cb 0.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1bxr h ALA 875 CO 0.04 -0.50 -0.03 0.93 0.00 0.00 0.00 179.25 179.69 1bxr h GLU 876 N -0.07 0.00 0.00 0.00 5.08 -1.78 -0.36 114.58 117.45 1bxr h GLU 876 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1bxr h GLU 876 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1bxr h GLU 876 CO 0.00 0.03 -1.35 1.96 -1.00 0.00 0.00 179.01 178.66 1bxr h GLN 877 N 0.00 0.00 -0.01 2.33 4.20 -0.13 -3.48 115.11 118.01 1bxr h GLN 877 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bxr h GLN 877 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1bxr h GLN 877 CO 0.00 0.66 0.00 0.41 -0.67 0.00 0.00 178.83 179.24 1bxr n GLY 878 N 1.45 0.87 2.83 3.46 0.00 0.75 -5.04 105.19 109.50 1bxr n GLY 878 Ca -0.09 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.01 1.11 0.00 1.61 1.01 -0.48 -4.93 120.40 116.70 1bxr s VAL 879 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1bxr s VAL 879 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1bxr s VAL 879 CO 0.00 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.12 1bxr n THR 880 N 4.80 0.00 -4.28 3.92 -2.24 -1.26 -4.18 114.28 111.04 1bxr n THR 880 Ca -0.07 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1bxr n THR 880 Cb 0.44 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.10 3.69 0.24 -0.78 -0.14 -1.26 -4.87 119.74 116.52 1bxr s LYS 881 Ca 0.00 -0.50 -0.31 0.00 -1.36 0.00 0.00 55.97 53.80 1bxr s LYS 881 Cb 0.00 -2.99 -0.12 0.00 -1.68 0.00 0.00 37.83 33.04 1bxr s LYS 881 CO 0.00 0.19 1.68 -2.00 -0.76 0.00 0.00 175.35 174.46 1bxr s GLU 882 N 0.52 4.12 -0.16 1.68 2.12 -1.26 -4.96 118.70 120.76 1bxr s GLU 882 Ca -0.02 2.60 -0.18 0.00 0.36 0.00 0.00 54.97 57.73 1bxr s GLU 882 Cb -0.14 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1bxr s GLU 882 CO 0.02 -0.71 0.48 0.08 -0.54 0.00 0.00 175.26 174.59 1bxr s VAL 883 N 0.76 5.16 -0.24 3.70 1.01 -1.26 -5.05 120.40 124.48 1bxr s VAL 883 Ca 0.71 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1bxr s VAL 883 Cb -0.49 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1bxr s VAL 883 CO 0.38 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1bxr s ILE 884 N 1.08 2.37 0.51 2.22 -1.09 -1.26 -4.95 121.20 120.08 1bxr s ILE 884 Ca 0.24 -1.27 -0.17 0.00 -2.23 0.00 0.00 60.65 57.22 1bxr s ILE 884 Cb -0.15 -2.23 -0.08 0.00 -1.58 0.00 0.00 42.46 38.42 1bxr s ILE 884 CO 0.10 0.18 0.99 -2.84 -1.23 0.00 0.00 174.94 172.14 1bxr s PRO 885 N 1.22 3.91 0.15 2.79 0.02 -1.26 -4.90 135.00 136.92 1bxr s PRO 885 Ca -0.03 1.01 -0.13 0.00 0.02 0.00 0.00 61.00 61.88 1bxr s PRO 885 Cb -0.17 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.25 1bxr s PRO 885 CO -0.07 -0.31 1.66 -1.35 -0.33 0.00 0.00 177.00 176.60 1bxr h PRO 886 N 0.99 0.82 -6.41 5.54 0.10 -1.94 -3.46 132.00 127.64 1bxr h PRO 886 Ca -0.47 -0.20 -0.47 0.00 0.10 0.00 0.00 66.00 64.96 1bxr h PRO 886 Cb 1.19 -0.11 0.01 0.00 0.10 0.00 0.00 31.00 32.19 1bxr h PRO 886 CO 0.61 0.79 -0.23 1.52 0.10 0.00 0.00 178.00 180.79 1bxr s TYR 887 N -5.29 2.19 -0.16 0.65 -0.85 -1.26 -5.02 117.35 107.61 1bxr s TYR 887 Ca -0.13 -0.57 -0.09 0.00 -0.52 0.00 0.00 57.07 55.76 1bxr s TYR 887 Cb 0.12 -2.24 -0.05 0.00 0.38 0.00 0.00 41.96 40.17 1bxr s TYR 887 CO 0.80 -0.63 0.15 0.71 -1.52 0.00 0.00 175.55 175.06 1bxr s TYR 888 N -2.52 3.49 -0.18 -3.49 2.02 0.20 -4.61 117.35 112.26 1bxr s TYR 888 Ca 0.54 0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1bxr s TYR 888 Cb -0.07 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1bxr s TYR 888 CO 0.33 0.46 -0.14 -1.12 -1.57 0.00 0.00 175.55 173.50 1bxr s SER 889 N -0.16 3.66 -0.08 2.29 0.01 -0.37 0.87 113.70 119.91 1bxr s SER 889 Ca 0.11 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1bxr s SER 889 Cb -0.12 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1bxr s SER 889 CO 0.01 0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 172.85 1bxr s VAL 890 N 1.09 1.43 -0.12 3.43 1.01 0.17 -0.45 120.40 126.97 1bxr s VAL 890 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1bxr s VAL 890 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1bxr s VAL 890 CO -0.04 0.42 0.08 -0.75 0.00 0.00 0.00 175.10 174.81 1bxr s LYS 891 N 0.66 3.40 0.08 2.72 2.20 -0.39 0.16 119.74 128.56 1bxr s LYS 891 Ca -0.14 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1bxr s LYS 891 Cb -0.16 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1bxr s LYS 891 CO 0.04 0.66 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.55 1bxr s GLU 892 N -0.71 0.83 0.40 4.03 2.56 -0.78 -1.16 118.70 123.88 1bxr s GLU 892 Ca 0.12 -1.00 0.08 0.00 0.00 0.00 0.00 54.97 54.17 1bxr s GLU 892 Cb -0.12 -0.78 -0.01 0.00 2.00 0.00 0.00 34.13 35.22 1bxr s GLU 892 CO 0.03 0.17 0.45 0.14 -0.56 0.00 0.00 175.26 175.48 1bxr s VAL 893 N -1.49 2.97 -0.12 3.70 -7.23 -1.26 -0.47 120.40 116.50 1bxr s VAL 893 Ca -0.00 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1bxr s VAL 893 Cb -0.09 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1bxr s VAL 893 CO 0.02 -0.03 -0.19 0.68 -0.31 0.00 0.00 175.10 175.27 1bxr s VAL 894 N -2.39 1.81 0.00 1.32 -7.23 -0.61 -4.89 120.40 108.42 1bxr s VAL 894 Ca 0.50 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1bxr s VAL 894 Cb -0.07 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1bxr s VAL 894 CO 0.30 0.50 0.04 -0.76 -0.31 0.00 0.00 175.10 174.87 1bxr s LEU 895 N 0.79 3.70 -0.05 1.32 1.43 -1.26 -1.72 118.68 122.89 1bxr s LEU 895 Ca -0.09 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1bxr s LEU 895 Cb -0.16 -2.16 0.21 0.00 0.03 0.00 0.00 46.19 44.11 1bxr s LEU 895 CO 0.00 0.27 0.92 -0.81 0.23 0.00 0.00 176.35 176.96 1bxr n PRO 896 N 1.22 1.88 -0.31 1.29 -0.04 -1.26 -4.40 135.00 133.37 1bxr n PRO 896 Ca -0.13 -0.80 0.10 0.00 -0.04 0.00 0.00 63.50 62.62 1bxr n PRO 896 Cb 0.53 -1.55 0.31 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.09 0.98 0.00 0.54 0.04 -1.92 -0.16 116.94 117.52 1bxr h PHE 897 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1bxr h PHE 897 Cb 0.72 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1bxr h PHE 897 CO 0.25 0.37 0.00 0.27 -0.60 0.00 0.00 178.31 178.60 1bxr n ASN 898 N -4.59 0.25 0.02 2.17 6.94 -1.26 -1.05 115.26 117.72 1bxr n ASN 898 Ca 0.18 0.60 -0.04 0.00 -0.02 0.00 0.00 54.58 55.30 1bxr n ASN 898 Cb 0.41 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.10 1bxr n ASN 898 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1bxr h LYS 899 N 0.00 0.00 -2.64 -3.83 1.79 -1.37 -3.40 116.57 107.13 1bxr h LYS 899 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1bxr h LYS 899 Cb 0.09 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.33 1bxr h LYS 899 CO 0.00 0.42 -0.55 1.19 -1.08 0.00 0.00 179.45 179.43 1bxr n PHE 900 N -2.99 3.49 -0.35 -1.35 3.72 -0.22 -4.95 117.46 114.81 1bxr n PHE 900 Ca -0.12 -4.21 0.25 0.00 -0.05 0.00 0.00 57.45 53.32 1bxr n PHE 900 Cb 0.93 -0.62 0.51 0.00 -0.94 0.00 0.00 39.48 39.36 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 4.78 0.35 -0.16 -1.08 0.11 -1.77 -0.64 132.00 133.59 1bxr h PRO 901 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1bxr h PRO 901 Cb 0.70 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1bxr h PRO 901 CO 0.79 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 1bxr n GLY 902 N -1.44 -0.36 3.60 -0.55 0.00 -1.26 -4.78 105.19 100.39 1bxr n GLY 902 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.79 3.75 -0.45 1.61 1.01 -0.25 -4.05 120.40 120.24 1bxr s VAL 903 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1bxr s VAL 903 Cb 0.00 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1bxr s VAL 903 CO 0.00 0.54 1.57 -0.62 0.00 0.00 0.00 175.10 176.58 1bxr s ASP 904 N -1.01 6.04 0.00 3.32 2.15 -1.26 -4.87 116.67 121.04 1bxr s ASP 904 Ca 0.14 0.76 -0.01 0.00 0.43 0.00 0.00 52.55 53.88 1bxr s ASP 904 Cb -0.11 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1bxr s ASP 904 CO 0.03 -1.69 1.05 -0.81 -0.17 0.00 0.00 175.17 173.58 1bxr n PRO 905 N 8.44 0.50 -4.08 4.34 -0.04 -1.26 -4.81 135.00 138.09 1bxr n PRO 905 Ca 0.18 -0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 1bxr n PRO 905 Cb 0.48 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1bxr n PRO 905 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1bxr s LEU 906 N 0.00 4.05 0.56 1.53 2.34 -1.26 -5.04 118.68 120.86 1bxr s LEU 906 Ca 0.08 0.30 -0.06 0.00 0.06 0.00 0.00 54.13 54.52 1bxr s LEU 906 Cb 0.04 -2.05 -0.00 0.00 -0.56 0.00 0.00 46.19 43.61 1bxr s LEU 906 CO 0.00 0.37 0.87 -0.76 -1.06 0.00 0.00 176.35 175.77 1bxr s LEU 907 N -1.15 3.34 0.00 1.48 1.43 -1.26 -5.08 118.68 117.44 1bxr s LEU 907 Ca 0.16 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1bxr s LEU 907 Cb -0.12 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1bxr s LEU 907 CO 0.06 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.32 1bxr n GLY 908 N -2.50 1.13 0.00 -3.19 0.00 -1.26 -4.95 105.19 94.42 1bxr n GLY 908 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.36 1bxr n GLY 908 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bxr n PRO 909 N 0.00 0.06 -4.57 1.61 -0.04 -0.30 -0.46 135.00 131.29 1bxr n PRO 909 Ca 0.00 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 1bxr n PRO 909 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1bxr n PRO 909 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1bxr s GLU 910 N -2.83 2.62 -0.15 0.54 2.12 -1.26 -4.55 118.70 115.19 1bxr s GLU 910 Ca 0.07 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.50 1bxr s GLU 910 Cb 0.07 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 1bxr s GLU 910 CO 0.17 0.63 0.77 1.41 -0.54 0.00 0.00 175.26 177.69 1bxr s MET 911 N -1.10 4.32 0.00 4.30 -2.45 -0.96 -4.72 119.30 118.69 1bxr s MET 911 Ca 0.15 0.92 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 1bxr s MET 911 Cb -0.11 -3.54 0.00 0.00 1.25 0.00 0.00 34.83 32.43 1bxr s MET 911 CO 0.04 -0.22 0.12 0.54 1.05 0.00 0.00 175.02 176.56 1bxr n ARG 912 N 4.84 3.96 -2.26 4.11 3.00 -1.26 -4.79 116.66 124.25 1bxr n ARG 912 Ca 0.02 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.85 57.41 1bxr n ARG 912 Cb 0.50 -0.57 -0.01 0.00 0.00 0.00 0.00 32.46 32.38 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 -0.60 6.09 -0.21 0.55 1.04 -1.26 -4.27 113.70 115.04 1bxr s SER 913 Ca 0.00 1.82 0.14 0.00 0.48 0.00 0.00 55.95 58.39 1bxr s SER 913 Cb 0.00 -2.54 -0.23 0.00 0.10 0.00 0.00 66.02 63.35 1bxr s SER 913 CO 0.00 -0.96 0.03 0.35 0.98 0.00 0.00 173.24 173.65 1bxr n THR 914 N -1.61 1.42 -3.69 2.02 -2.24 -0.70 -4.43 114.28 105.06 1bxr n THR 914 Ca 0.09 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 61.05 1bxr n THR 914 Cb 0.53 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.85 3.06 3.31 3.38 0.00 -0.75 -4.64 105.19 111.41 1bxr n GLY 915 Ca -0.35 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.14 1.06 0.24 1.61 -1.05 -1.26 -1.57 118.70 115.58 1bxr s GLU 916 Ca 0.05 -0.78 0.04 0.00 -0.15 0.00 0.00 54.97 54.13 1bxr s GLU 916 Cb -0.00 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1bxr s GLU 916 CO 0.03 -0.41 -0.02 0.14 0.95 0.00 0.00 175.26 175.96 1bxr s VAL 917 N -3.83 1.15 -0.02 1.83 -7.23 0.38 -4.34 120.40 108.35 1bxr s VAL 917 Ca 0.04 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1bxr s VAL 917 Cb 0.02 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1bxr s VAL 917 CO -0.11 -0.34 -0.07 -0.32 -0.31 0.00 0.00 175.10 173.95 1bxr s MET 918 N -3.83 0.74 -0.05 4.82 0.00 -0.75 -1.87 119.30 118.36 1bxr s MET 918 Ca 0.28 -0.25 0.06 0.00 0.00 0.00 0.00 55.69 55.78 1bxr s MET 918 Cb 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 34.83 34.16 1bxr s MET 918 CO 0.09 0.11 -0.23 0.20 0.00 0.00 0.00 175.02 175.18 1bxr s GLY 919 N 0.11 1.20 -0.16 2.11 0.00 0.41 -4.56 107.32 106.44 1bxr s GLY 919 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1bxr s GLY 919 CO 0.00 -0.59 -0.14 0.14 0.00 0.00 0.00 173.10 172.51 1bxr s VAL 920 N -0.14 2.80 0.16 1.40 1.01 -1.26 0.46 120.40 124.84 1bxr s VAL 920 Ca -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1bxr s VAL 920 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1bxr s VAL 920 CO 0.03 0.51 0.22 -0.83 0.00 0.00 0.00 175.10 175.03 1bxr s GLY 921 N 0.81 0.70 0.30 4.51 0.00 0.25 -4.48 107.32 109.41 1bxr s GLY 921 Ca -0.05 -1.11 0.11 0.00 0.00 0.00 0.00 44.72 43.67 1bxr s GLY 921 CO 0.00 -1.01 1.66 3.21 0.00 0.00 0.00 173.10 176.96 1bxr h ARG 922 N 2.62 0.01 -5.53 2.90 3.08 -1.91 0.56 114.38 116.11 1bxr h ARG 922 Ca -0.33 -0.01 -0.44 0.00 0.07 0.00 0.00 59.98 59.28 1bxr h ARG 922 Cb 1.22 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.12 1bxr h ARG 922 CO 0.51 0.57 -0.74 0.95 -1.07 0.00 0.00 179.97 180.18 1bxr s THR 923 N -3.76 1.61 0.16 2.04 -4.23 -1.26 -4.58 115.64 105.63 1bxr s THR 923 Ca -0.02 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 1bxr s THR 923 Cb 0.13 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 72.10 1bxr s THR 923 CO 0.76 -0.54 1.75 0.15 -0.54 0.00 0.00 174.62 176.19 1bxr h PHE 924 N 2.84 0.21 -0.39 3.99 3.57 -1.93 0.55 116.94 125.79 1bxr h PHE 924 Ca -0.39 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.19 1bxr h PHE 924 Cb 1.21 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1bxr h PHE 924 CO 0.69 0.08 0.26 0.00 -2.23 0.00 0.00 178.31 177.11 1bxr h ALA 925 N 1.26 2.03 -0.02 2.41 0.00 -1.95 0.32 119.26 123.30 1bxr h ALA 925 Ca 0.18 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 925 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bxr h ALA 925 CO -0.19 -0.10 -0.66 1.49 0.00 0.00 0.00 179.25 179.79 1bxr h GLU 926 N 0.26 0.49 -0.31 0.00 4.81 -0.96 -1.64 114.58 117.23 1bxr h GLU 926 Ca 0.17 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1bxr h GLU 926 Cb 0.34 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1bxr h GLU 926 CO -0.03 1.13 0.10 0.00 -0.73 0.00 0.00 179.01 179.48 1bxr h ALA 927 N 0.37 0.40 -0.55 2.92 0.00 0.87 -2.73 119.26 120.54 1bxr h ALA 927 Ca -0.08 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1bxr h ALA 927 Cb 1.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1bxr h ALA 927 CO 0.13 0.03 0.27 0.35 0.00 0.00 0.00 179.25 180.04 1bxr h PHE 928 N 0.34 0.49 -0.18 0.00 3.57 -0.45 -0.51 116.94 120.19 1bxr h PHE 928 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1bxr h PHE 928 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1bxr h PHE 928 CO 0.01 0.23 -0.07 0.00 -2.23 0.00 0.00 178.31 176.24 1bxr h ALA 929 N 1.30 1.54 0.07 2.41 0.00 -1.16 -0.65 119.26 122.78 1bxr h ALA 929 Ca 0.25 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1bxr h ALA 929 Cb 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bxr h ALA 929 CO -0.18 0.33 -1.04 0.87 0.00 0.00 0.00 179.25 179.23 1bxr h LYS 930 N 0.27 0.57 -0.71 0.00 1.57 -1.03 -2.18 116.57 115.06 1bxr h LYS 930 Ca 0.06 -0.72 -0.05 0.00 -1.87 0.00 0.00 60.65 58.07 1bxr h LYS 930 Cb 0.31 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1bxr h LYS 930 CO 0.01 1.31 0.25 0.00 -0.57 0.00 0.00 179.45 180.45 1bxr h ALA 931 N 0.30 1.10 -0.19 3.86 0.00 -0.86 0.89 119.26 124.36 1bxr h ALA 931 Ca -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1bxr h ALA 931 Cb 1.73 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1bxr h ALA 931 CO 0.20 0.63 0.00 0.37 0.00 0.00 0.00 179.25 180.45 1bxr h GLN 932 N 1.04 0.34 -0.58 0.00 4.15 -1.15 0.04 115.11 118.95 1bxr h GLN 932 Ca 0.23 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 1bxr h GLN 932 Cb 0.25 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1bxr h GLN 932 CO -0.01 0.54 0.09 1.25 -1.93 0.00 0.00 178.83 178.77 1bxr h LEU 933 N 0.10 0.89 -1.47 -2.39 5.85 -1.18 -2.42 115.31 114.69 1bxr h LEU 933 Ca 0.05 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1bxr h LEU 933 Cb 0.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1bxr h LEU 933 CO 0.01 0.90 -0.26 1.23 -0.34 0.00 0.00 178.44 179.98 1bxr h GLY 934 N 1.02 0.00 0.54 3.75 0.00 -0.48 -1.50 103.07 106.39 1bxr h GLY 934 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1bxr h GLY 934 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1bxr n SER 935 N -3.85 0.00 -0.77 0.19 3.41 -0.03 -4.73 113.62 107.84 1bxr n SER 935 Ca -0.02 -1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 57.39 1bxr n SER 935 Cb 0.35 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1bxr n SER 935 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bxr n ASN 936 N -0.77 -2.53 -4.79 4.04 4.13 -0.57 -4.89 115.26 109.89 1bxr n ASN 936 Ca 0.10 -0.02 -0.33 0.00 1.68 0.00 0.00 54.58 56.01 1bxr n ASN 936 Cb 0.05 -1.80 0.02 0.00 -1.54 0.00 0.00 39.78 36.51 1bxr n ASN 936 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1bxr s SER 937 N -2.76 5.50 0.00 6.41 0.15 -1.01 -4.96 113.70 117.03 1bxr s SER 937 Ca 0.02 1.94 0.18 0.00 0.70 0.00 0.00 55.95 58.79 1bxr s SER 937 Cb -0.01 -2.55 0.36 0.00 -1.71 0.00 0.00 66.02 62.11 1bxr s SER 937 CO 0.02 -1.36 1.28 0.35 1.20 0.00 0.00 173.24 174.73 1bxr n THR 938 N -2.09 0.56 -1.66 6.45 -2.24 -1.26 -4.88 114.28 109.15 1bxr n THR 938 Ca 0.10 -0.78 -0.45 0.00 -2.27 0.00 0.00 64.05 60.65 1bxr n THR 938 Cb 0.52 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.15 1.91 -3.95 -0.78 0.00 -1.26 -4.48 117.12 109.70 1bxr n MET 939 Ca 0.16 0.68 -0.22 0.00 0.00 0.00 0.00 57.70 58.32 1bxr n MET 939 Cb 0.51 -2.28 -0.05 0.00 0.00 0.00 0.00 33.22 31.41 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 -0.80 2.64 0.00 2.12 -0.14 -1.26 -5.05 119.74 117.25 1bxr s LYS 940 Ca 0.65 -1.33 0.21 0.00 -1.36 0.00 0.00 55.97 54.14 1bxr s LYS 940 Cb -0.66 -2.40 0.46 0.00 -1.68 0.00 0.00 37.83 33.56 1bxr s LYS 940 CO 0.53 0.16 1.40 1.63 -0.76 0.00 0.00 175.35 178.31 1bxr n LYS 941 N -1.26 2.52 -3.78 1.68 5.02 -1.26 -4.97 118.16 116.12 1bxr n LYS 941 Ca -0.03 -2.33 -0.13 0.00 -2.02 0.00 0.00 58.31 53.79 1bxr n LYS 941 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.42 -1.47 0.00 2.13 1.44 -1.26 -4.85 115.22 112.63 1bxr n HIS 942 Ca 0.20 -2.13 0.00 0.00 -2.01 0.00 0.00 57.72 53.77 1bxr n HIS 942 Cb 0.58 0.55 0.00 0.00 0.12 0.00 0.00 29.99 31.24 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 -0.53 0.01 3.54 -1.39 0.00 -1.26 -4.78 105.19 100.77 1bxr n GLY 943 Ca -0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 2.66 0.09 1.61 3.52 -1.26 -0.09 118.95 125.49 1bxr s ARG 944 Ca 0.00 -0.61 0.09 0.00 -0.13 0.00 0.00 55.73 55.08 1bxr s ARG 944 Cb 0.00 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1bxr s ARG 944 CO 0.00 0.64 -0.23 0.00 -0.81 0.00 0.00 175.30 174.89 1bxr s ALA 945 N -0.75 2.45 -0.13 6.12 0.00 -0.19 -1.46 121.76 127.81 1bxr s ALA 945 Ca 0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1bxr s ALA 945 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1bxr s ALA 945 CO 0.01 0.56 -0.10 -1.17 0.00 0.00 0.00 175.76 175.05 1bxr s LEU 946 N -1.76 2.88 -0.25 0.00 2.96 -0.46 -2.15 118.68 119.90 1bxr s LEU 946 Ca 0.14 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1bxr s LEU 946 Cb -0.10 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 44.98 1bxr s LEU 946 CO 0.06 0.18 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.39 1bxr s LEU 947 N 0.26 3.23 -0.50 -0.68 1.02 -0.16 -0.72 118.68 121.12 1bxr s LEU 947 Ca -0.07 -1.26 0.04 0.00 0.02 0.00 0.00 54.13 52.85 1bxr s LEU 947 Cb -0.15 -1.54 0.16 0.00 0.02 0.00 0.00 46.19 44.68 1bxr s LEU 947 CO 0.05 -0.16 0.35 -0.55 0.02 0.00 0.00 176.35 176.06 1bxr s SER 948 N 1.14 3.10 0.21 2.29 0.15 0.12 -3.77 113.70 116.94 1bxr s SER 948 Ca -0.06 -3.14 0.05 0.00 0.70 0.00 0.00 55.95 53.49 1bxr s SER 948 Cb -0.19 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1bxr s SER 948 CO -0.06 -0.18 0.29 0.68 1.20 0.00 0.00 173.24 175.17 1bxr s VAL 949 N -0.26 5.07 0.54 4.45 -7.23 -1.26 -1.62 120.40 120.08 1bxr s VAL 949 Ca 0.26 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 1bxr s VAL 949 Cb -0.07 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 1bxr s VAL 949 CO -0.13 -0.25 0.94 0.00 -0.31 0.00 0.00 175.10 175.36 1bxr s ARG 950 N -3.68 3.72 0.19 4.82 1.04 -1.07 -4.68 118.95 119.29 1bxr s ARG 950 Ca 0.34 0.68 -0.20 0.00 -1.04 0.00 0.00 55.73 55.51 1bxr s ARG 950 Cb -0.09 -2.19 0.14 0.00 -2.04 0.00 0.00 34.95 30.76 1bxr s ARG 950 CO 0.28 -0.35 1.41 0.39 -0.04 0.00 0.00 175.30 176.99 1bxr n GLU 951 N -2.12 -0.27 -0.36 3.89 -0.58 -1.26 -1.34 120.64 118.60 1bxr n GLU 951 Ca 0.05 1.39 0.01 0.00 -0.42 0.00 0.00 57.16 58.19 1bxr n GLU 951 Cb 0.54 -2.06 0.15 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.45 1.77 0.62 0.00 -1.99 -1.47 103.07 103.46 1bxr h GLY 952 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1bxr h GLY 952 CO -0.89 0.37 0.00 1.22 0.00 0.00 0.00 176.54 177.24 1bxr n ASP 953 N -4.49 0.00 -0.05 0.19 8.00 -0.45 -4.00 116.55 115.75 1bxr n ASP 953 Ca 0.14 0.22 0.24 0.00 0.71 0.00 0.00 54.79 56.10 1bxr n ASP 953 Cb 0.14 -0.39 0.66 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.99 -2.16 116.57 113.78 1bxr h LYS 954 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1bxr h LYS 954 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1bxr h LYS 954 CO 0.00 0.00 -0.25 1.49 -0.57 0.00 0.00 179.45 180.12 1bxr h GLU 955 N 0.00 0.10 0.00 3.15 4.81 -1.80 -3.38 114.58 117.46 1bxr h GLU 955 Ca 0.33 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1bxr h GLU 955 Cb 1.78 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.21 1bxr h GLU 955 CO -0.00 1.04 -0.19 0.00 -0.73 0.00 0.00 179.01 179.12 1bxr h ARG 956 N -0.75 0.00 -0.99 1.92 3.08 -1.71 -3.30 114.38 112.63 1bxr h ARG 956 Ca -0.04 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.28 1bxr h ARG 956 Cb 1.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 1bxr h ARG 956 CO 0.05 0.02 0.69 -0.24 -1.07 0.00 0.00 179.97 179.41 1bxr h VAL 957 N 0.00 0.53 -0.51 2.04 3.04 -1.60 0.16 116.25 119.91 1bxr h VAL 957 Ca -0.00 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1bxr h VAL 957 Cb 1.01 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 1bxr h VAL 957 CO 0.00 0.03 0.24 0.58 -1.01 0.00 0.00 177.57 177.41 1bxr h VAL 958 N 0.15 1.20 -0.05 1.51 2.07 -1.78 0.20 116.25 119.54 1bxr h VAL 958 Ca 0.50 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1bxr h VAL 958 Cb 1.71 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1bxr h VAL 958 CO -0.09 0.22 -0.72 -0.78 0.02 0.00 0.00 177.57 176.23 1bxr h ASP 959 N 0.69 0.32 -0.16 0.57 3.58 -0.93 -2.30 116.42 118.20 1bxr h ASP 959 Ca 0.18 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 1bxr h ASP 959 Cb 0.13 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1bxr h ASP 959 CO -0.02 0.93 -0.31 0.25 -2.88 0.00 0.00 179.24 177.21 1bxr h LEU 960 N 0.18 0.67 -0.54 2.28 5.85 -1.09 -2.41 115.31 120.25 1bxr h LEU 960 Ca -0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1bxr h LEU 960 Cb 1.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1bxr h LEU 960 CO 0.11 0.94 0.29 0.00 -0.34 0.00 0.00 178.44 179.45 1bxr h ALA 961 N 1.10 0.70 -0.62 1.25 0.00 -0.84 -1.26 119.26 119.59 1bxr h ALA 961 Ca 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1bxr h ALA 961 Cb 0.81 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1bxr h ALA 961 CO 0.07 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.79 1bxr h ALA 962 N 1.13 0.81 -0.57 0.00 0.00 -1.19 0.28 119.26 119.72 1bxr h ALA 962 Ca 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1bxr h ALA 962 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bxr h ALA 962 CO -0.03 -0.15 0.24 0.87 0.00 0.00 0.00 179.25 180.18 1bxr h LYS 963 N 0.45 0.85 -0.68 0.00 1.57 -0.92 0.27 116.57 118.11 1bxr h LYS 963 Ca 0.31 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1bxr h LYS 963 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1bxr h LYS 963 CO -0.29 0.72 0.31 -0.07 -0.57 0.00 0.00 179.45 179.56 1bxr h LEU 964 N 0.78 0.88 -0.38 2.94 3.38 -0.07 -1.15 115.31 121.69 1bxr h LEU 964 Ca 0.19 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1bxr h LEU 964 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1bxr h LEU 964 CO -0.02 0.76 -0.18 -0.07 0.09 0.00 0.00 178.44 179.03 1bxr h LEU 965 N 0.97 0.81 -2.02 1.67 3.38 0.13 -1.12 115.31 119.13 1bxr h LEU 965 Ca 0.24 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.89 1bxr h LEU 965 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1bxr h LEU 965 CO -0.03 1.03 0.21 0.50 0.09 0.00 0.00 178.44 180.25 1bxr h LYS 966 N 0.59 0.00 -0.00 1.13 3.64 0.09 -1.01 116.57 121.01 1bxr h LYS 966 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1bxr h LYS 966 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1bxr h LYS 966 CO 0.05 0.00 -0.09 0.94 -2.27 0.00 0.00 179.45 178.09 1bxr n GLN 967 N -4.39 0.12 -0.12 1.90 -0.06 -0.49 -4.92 117.38 109.43 1bxr n GLN 967 Ca 0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1bxr n GLN 967 Cb 0.37 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 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 1.45 0.93 3.87 1.69 0.00 -0.38 -4.80 105.19 107.94 1bxr n GLY 968 Ca 0.08 -0.07 -0.31 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 3.47 0.05 1.61 0.40 -0.47 -4.26 117.98 116.77 1bxr s PHE 969 Ca 0.00 1.10 0.01 0.00 -0.60 0.00 0.00 56.93 57.44 1bxr s PHE 969 Cb 0.00 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1bxr s PHE 969 CO 0.00 -0.14 0.15 -1.21 0.70 0.00 0.00 175.22 174.73 1bxr s GLU 970 N -3.85 3.22 0.18 0.44 2.02 0.88 -4.51 118.70 117.07 1bxr s GLU 970 Ca 0.52 -0.51 0.11 0.00 0.02 0.00 0.00 54.97 55.10 1bxr s GLU 970 Cb -0.10 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1bxr s GLU 970 CO 0.31 0.61 -0.23 -0.51 0.02 0.00 0.00 175.26 175.46 1bxr s LEU 971 N -2.34 2.42 0.00 1.80 1.43 -1.26 -1.02 118.68 119.72 1bxr s LEU 971 Ca 0.31 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1bxr s LEU 971 Cb -0.13 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 1bxr s LEU 971 CO 0.24 0.08 -0.11 -1.81 0.23 0.00 0.00 176.35 174.98 1bxr s ASP 972 N -2.61 1.29 -0.13 2.29 1.11 -0.91 -0.36 116.67 117.35 1bxr s ASP 972 Ca 0.19 -0.26 -0.06 0.00 0.18 0.00 0.00 52.55 52.60 1bxr s ASP 972 Cb -0.08 -0.12 0.06 0.00 1.07 0.00 0.00 42.92 43.85 1bxr s ASP 972 CO 0.09 0.09 0.28 0.00 1.18 0.00 0.00 175.17 176.81 1bxr s ALA 973 N -0.43 -0.66 0.75 5.23 0.00 0.14 -0.99 121.76 125.81 1bxr s ALA 973 Ca 0.03 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1bxr s ALA 973 Cb -0.05 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.29 1bxr s ALA 973 CO -0.00 -0.37 1.21 0.95 0.00 0.00 0.00 175.76 177.55 1bxr s THR 974 N 1.70 2.24 0.00 0.00 -4.23 -1.25 -3.13 115.64 110.97 1bxr s THR 974 Ca -0.06 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1bxr s THR 974 Cb -0.11 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1bxr s THR 974 CO -0.09 -0.07 0.01 1.57 -0.54 0.00 0.00 174.62 175.50 1bxr n HIS 975 N -2.88 0.00 -0.34 3.99 -0.00 -1.26 -1.24 115.22 113.48 1bxr n HIS 975 Ca 0.13 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.50 1bxr n HIS 975 Cb 0.50 0.00 0.40 0.00 -0.12 0.00 0.00 29.99 30.77 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 1.85 1.96 1.57 0.00 -1.96 -0.05 103.07 106.43 1bxr h GLY 976 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1bxr h GLY 976 CO 0.00 -0.24 -0.58 -0.84 0.00 0.00 0.00 176.54 174.88 1bxr h THR 977 N 0.56 1.41 -0.41 4.70 2.02 -1.57 -3.13 112.91 116.49 1bxr h THR 977 Ca 0.64 -1.98 -0.11 0.00 0.77 0.00 0.00 66.41 65.74 1bxr h THR 977 Cb 1.26 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1bxr h THR 977 CO -0.46 0.57 -0.17 0.00 0.37 0.00 0.00 175.52 175.83 1bxr h ALA 978 N 1.38 0.57 -1.01 6.16 0.00 0.40 -2.69 119.26 124.08 1bxr h ALA 978 Ca -0.01 -0.36 0.24 0.00 0.00 0.00 0.00 54.91 54.79 1bxr h ALA 978 Cb 1.04 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 1bxr h ALA 978 CO 0.08 0.50 0.60 0.82 0.00 0.00 0.00 179.25 181.25 1bxr h ILE 979 N 0.65 0.57 0.09 0.00 1.08 -1.37 0.20 117.51 118.73 1bxr h ILE 979 Ca 0.09 -0.21 -0.29 0.00 -0.39 0.00 0.00 64.86 64.07 1bxr h ILE 979 Cb 0.72 -0.09 0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1bxr h ILE 979 CO 0.05 0.11 -1.19 0.58 -0.69 0.00 0.00 178.15 177.01 1bxr h VAL 980 N 0.61 1.28 0.11 1.67 2.07 -1.56 -1.98 116.25 118.46 1bxr h VAL 980 Ca 0.63 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1bxr h VAL 980 Cb 1.18 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1bxr h VAL 980 CO -0.45 0.73 -0.06 -0.07 0.02 0.00 0.00 177.57 177.75 1bxr h LEU 981 N 0.29 -0.13 -0.32 2.57 3.38 -1.00 -2.96 115.31 117.15 1bxr h LEU 981 Ca -0.18 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.70 1bxr h LEU 981 Cb 1.86 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.57 1bxr h LEU 981 CO 0.23 0.09 -0.16 1.23 0.09 0.00 0.00 178.44 179.92 1bxr h GLY 982 N -0.35 0.08 1.38 0.83 0.00 0.16 0.33 103.07 105.50 1bxr h GLY 982 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1bxr h GLY 982 CO 0.03 -0.17 0.02 1.18 0.00 0.00 0.00 176.54 177.59 1bxr n GLU 983 N -5.34 0.00 0.00 4.80 1.02 -0.74 0.66 120.64 121.04 1bxr n GLU 983 Ca 0.01 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.42 1bxr n GLU 983 Cb 0.25 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1bxr n GLU 983 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr n ALA 984 N -1.21 2.66 0.00 0.62 0.00 0.10 -4.97 120.51 117.70 1bxr n ALA 984 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1bxr n ALA 984 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.72 0.83 3.21 0.00 0.00 0.21 -5.07 105.19 105.09 1bxr n GLY 985 Ca 0.04 0.00 -0.33 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 2.26 -0.34 -0.61 1.01 -0.39 -4.96 121.20 116.16 1bxr s ILE 986 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1bxr s ILE 986 Cb 0.00 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.62 1bxr s ILE 986 CO 0.00 0.54 0.10 0.20 0.00 0.00 0.00 174.94 175.78 1bxr s ASN 987 N 0.69 5.21 0.97 3.58 0.02 -1.26 -0.04 114.94 124.11 1bxr s ASN 987 Ca -0.09 -1.32 -0.16 0.00 -1.02 0.00 0.00 52.86 50.27 1bxr s ASN 987 Cb -0.16 -1.83 0.22 0.00 0.02 0.00 0.00 41.25 39.50 1bxr s ASN 987 CO 0.01 -0.35 1.33 -2.16 0.02 0.00 0.00 177.10 175.95 1bxr s PRO 988 N 1.33 0.47 -0.05 -0.60 0.04 -1.26 -4.94 135.00 129.98 1bxr s PRO 988 Ca -0.01 -0.56 -0.14 0.00 0.04 0.00 0.00 61.00 60.32 1bxr s PRO 988 Cb -0.20 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1bxr s PRO 988 CO 0.01 -2.50 0.38 0.50 0.04 0.00 0.00 177.00 175.42 1bxr s ARG 989 N -5.90 3.99 0.26 4.56 3.52 0.51 -4.82 118.95 121.08 1bxr s ARG 989 Ca 0.76 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 56.38 1bxr s ARG 989 Cb -0.03 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 29.99 1bxr s ARG 989 CO 0.53 0.55 1.03 -1.17 -0.81 0.00 0.00 175.30 175.42 1bxr s LEU 990 N -0.57 4.60 0.06 -0.88 2.96 -1.26 0.28 118.68 123.87 1bxr s LEU 990 Ca 0.22 2.12 0.06 0.00 -0.22 0.00 0.00 54.13 56.31 1bxr s LEU 990 Cb -0.15 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1bxr s LEU 990 CO 0.11 -0.00 -0.16 0.54 -1.32 0.00 0.00 176.35 175.51 1bxr s VAL 991 N -1.16 1.27 -0.13 1.68 0.11 -1.18 -4.86 120.40 116.12 1bxr s VAL 991 Ca 0.43 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.17 1bxr s VAL 991 Cb -0.29 -1.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.35 1bxr s VAL 991 CO 0.37 -0.05 0.24 0.20 -3.33 0.00 0.00 175.10 172.54 1bxr s ASN 992 N -1.43 6.45 1.13 3.54 0.02 -1.26 -4.11 114.94 119.28 1bxr s ASN 992 Ca 0.02 0.53 -0.08 0.00 -1.02 0.00 0.00 52.86 52.31 1bxr s ASN 992 Cb -0.09 -2.15 0.12 0.00 0.02 0.00 0.00 41.25 39.15 1bxr s ASN 992 CO 0.02 0.24 0.31 0.29 0.02 0.00 0.00 177.10 177.97 1bxr n LYS 993 N 2.83 -2.55 0.01 -0.60 5.02 -1.26 -1.47 118.16 120.13 1bxr n LYS 993 Ca -0.15 -0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 55.45 1bxr n LYS 993 Cb 0.53 -0.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.34 1.29 -0.20 -0.18 2.07 -1.96 -3.09 116.25 111.84 1bxr h VAL 994 Ca -0.13 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1bxr h VAL 994 Cb 0.43 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1bxr h VAL 994 CO 0.08 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.33 1bxr n HIS 995 N -3.89 0.31 -0.08 1.57 1.44 -1.26 -4.32 115.22 108.99 1bxr n HIS 995 Ca -0.09 -0.14 -0.15 0.00 -2.01 0.00 0.00 57.72 55.33 1bxr n HIS 995 Cb 0.80 -0.02 -0.05 0.00 0.12 0.00 0.00 29.99 30.84 1bxr n HIS 995 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1bxr n GLU 996 N 0.11 0.39 -0.12 -1.40 1.02 -1.17 -5.11 120.64 114.36 1bxr n GLU 996 Ca 0.07 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1bxr n GLU 996 Cb 0.21 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 1.91 3.77 3.32 0.62 0.00 -1.25 -4.97 105.19 108.60 1bxr n GLY 997 Ca -0.28 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.75 0.39 0.77 1.61 0.52 -1.26 -3.87 118.95 117.86 1bxr s ARG 998 Ca 0.00 1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 56.10 1bxr s ARG 998 Cb 0.00 0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.77 1bxr s ARG 998 CO 0.00 -0.21 1.09 -1.25 0.02 0.00 0.00 175.30 174.95 1bxr s PRO 999 N 2.19 2.29 0.21 3.54 0.05 -1.26 -5.14 135.00 136.88 1bxr s PRO 999 Ca -0.05 0.64 0.08 0.00 0.05 0.00 0.00 61.00 61.72 1bxr s PRO 999 Cb -0.10 -1.94 -0.05 0.00 0.05 0.00 0.00 34.50 32.46 1bxr s PRO 999 CO -0.14 -1.48 -0.15 -3.38 0.05 0.00 0.00 177.00 171.91 1bxr s HIS 1000N -3.18 1.75 0.06 0.56 -3.43 -1.25 -4.31 115.29 105.49 1bxr s HIS 1000Ca 0.60 -0.55 -0.05 0.00 -0.80 0.00 0.00 55.06 54.26 1bxr s HIS 1000Cb -0.14 -0.81 0.05 0.00 -1.43 0.00 0.00 32.58 30.26 1bxr s HIS 1000CO 0.54 0.39 0.38 0.44 -2.00 0.00 0.00 174.74 174.49 1bxr n ILE 1001N -0.39 -0.13 -0.25 -5.38 -6.64 -0.54 0.14 119.36 106.16 1bxr n ILE 1001Ca -0.08 0.58 0.02 0.00 -1.77 0.00 0.00 62.75 61.50 1bxr n ILE 1001Cb 0.60 -0.76 0.14 0.00 -1.44 0.00 0.00 39.64 38.19 1bxr n ILE 1001CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1bxr h GLN 1002N 0.00 0.62 -0.37 6.28 -0.00 -1.93 4.36 115.11 124.08 1bxr h GLN 1002Ca 0.08 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 1bxr h GLN 1002Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1bxr h GLN 1002CO -0.24 0.41 -0.06 -0.44 0.00 0.00 0.00 178.83 178.50 1bxr h ASP 1003N 0.64 0.69 -0.46 -0.69 3.32 0.80 -0.16 116.42 120.56 1bxr h ASP 1003Ca 0.36 -0.35 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1bxr h ASP 1003Cb 0.37 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1bxr h ASP 1003CO -0.26 0.88 -0.20 0.03 -1.72 0.00 0.00 179.24 177.97 1bxr h ARG 1004N 0.50 0.95 -0.23 3.56 3.08 0.11 0.32 114.38 122.67 1bxr h ARG 1004Ca 0.10 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 1bxr h ARG 1004Cb 0.56 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1bxr h ARG 1004CO 0.03 1.07 0.02 0.82 -1.07 0.00 0.00 179.97 180.85 1bxr h ILE 1005N 0.80 1.24 -0.29 2.04 2.04 0.83 -1.56 117.51 122.60 1bxr h ILE 1005Ca 0.11 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1bxr h ILE 1005Cb 0.77 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1bxr h ILE 1005CO 0.06 0.25 0.14 0.50 0.00 0.00 0.00 178.15 179.11 1bxr h LYS 1006N 0.18 0.40 0.00 2.37 3.64 -0.80 -1.52 116.57 120.84 1bxr h LYS 1006Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1bxr h LYS 1006Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1bxr h LYS 1006CO 0.01 0.31 0.00 0.09 -2.27 0.00 0.00 179.45 177.59 1bxr n ASN 1007N -4.44 0.00 -3.41 4.20 5.03 0.11 -4.81 115.26 111.93 1bxr n ASN 1007Ca 0.01 -1.70 -0.20 0.00 0.87 0.00 0.00 54.58 53.56 1bxr n ASN 1007Cb 0.11 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1bxr n ASN 1007CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bxr n GLY 1008N 0.38 -1.03 0.01 7.41 0.00 -0.57 -4.93 105.19 106.46 1bxr n GLY 1008Ca 0.01 0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.58 1bxr n GLY 1008CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bxr n GLU 1009N -3.61 0.66 -4.32 1.61 1.02 -0.62 -4.98 120.64 110.39 1bxr n GLU 1009Ca -0.10 -0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 56.69 1bxr n GLU 1009Cb 0.62 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 1bxr n GLU 1009CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1bxr s TYR 1010N -2.77 2.59 0.00 -0.32 2.02 -1.26 -4.46 117.35 113.14 1bxr s TYR 1010Ca -0.05 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1bxr s TYR 1010Cb 0.07 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1bxr s TYR 1010CO 0.51 0.56 0.00 0.25 -1.57 0.00 0.00 175.55 175.31 1bxr n THR 1011N -0.27 0.00 -3.83 -0.71 -2.24 -0.53 -4.94 114.28 101.76 1bxr n THR 1011Ca -0.09 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1bxr n THR 1011Cb 0.57 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.56 -0.07 -0.09 4.78 5.04 -1.16 -3.97 117.35 120.31 1bxr s TYR 1012Ca 0.00 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 54.69 1bxr s TYR 1012Cb 0.00 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1bxr s TYR 1012CO 0.00 -0.27 0.22 0.42 -1.34 0.00 0.00 175.55 174.58 1bxr s ILE 1013N -1.03 -0.02 -0.17 3.14 1.01 -0.76 -1.36 121.20 122.01 1bxr s ILE 1013Ca -0.11 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1bxr s ILE 1013Cb -0.06 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.11 1bxr s ILE 1013CO 0.02 0.03 -0.16 -0.51 0.00 0.00 0.00 174.94 174.32 1bxr s ILE 1014N 0.67 1.76 -0.21 2.92 1.10 0.10 -1.44 121.20 126.10 1bxr s ILE 1014Ca -0.05 -0.80 -0.05 0.00 -0.51 0.00 0.00 60.65 59.25 1bxr s ILE 1014Cb -0.06 -1.65 0.08 0.00 0.15 0.00 0.00 42.46 40.98 1bxr s ILE 1014CO -0.04 0.45 0.12 0.21 -2.11 0.00 0.00 174.94 173.57 1bxr s ASN 1015N 1.40 2.51 -0.02 4.50 3.04 -0.60 -0.71 114.94 125.07 1bxr s ASN 1015Ca 0.04 -0.74 -0.01 0.00 0.04 0.00 0.00 52.86 52.19 1bxr s ASN 1015Cb -0.13 -0.18 -0.04 0.00 -1.54 0.00 0.00 41.25 39.36 1bxr s ASN 1015CO -0.11 -0.37 0.06 0.42 -3.04 0.00 0.00 177.10 174.06 1bxr s THR 1016N 2.16 4.63 0.28 -5.21 -4.23 -0.64 -4.36 115.64 108.27 1bxr s THR 1016Ca 0.04 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1bxr s THR 1016Cb -0.16 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 1bxr s THR 1016CO -0.17 0.41 0.10 -0.89 -0.54 0.00 0.00 174.62 173.53 1bxr s THR 1017N -1.12 0.63 -0.30 3.99 2.01 -1.26 -2.61 115.64 116.98 1bxr s THR 1017Ca 0.20 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.11 1bxr s THR 1017Cb -0.12 -2.63 0.19 0.00 0.01 0.00 0.00 72.50 69.94 1bxr s THR 1017CO 0.11 0.00 0.97 -0.55 -0.69 0.00 0.00 174.62 174.46 1bxr s SER 1018N -3.36 -0.63 0.00 3.53 0.15 -1.26 -4.90 113.70 107.22 1bxr s SER 1018Ca 0.37 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1bxr s SER 1018Cb 0.07 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 1bxr s SER 1018CO 0.15 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1bxr n GLY 1019N 5.26 3.77 0.24 9.45 0.00 -1.26 -4.72 105.19 117.93 1bxr n GLY 1019Ca 0.04 -1.24 0.24 0.00 0.00 0.00 0.00 46.02 45.06 1bxr n GLY 1019CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bxr n ARG 1020N 0.02 -0.04 0.02 1.61 5.12 -1.26 -0.80 116.66 121.33 1bxr n ARG 1020Ca 0.00 0.99 -0.22 0.00 -1.93 0.00 0.00 57.85 56.70 1bxr n ARG 1020Cb 0.00 -1.80 -0.14 0.00 -1.16 0.00 0.00 32.46 29.36 1bxr n ARG 1020CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1bxr h ARG 1021N 0.00 0.28 -0.23 5.56 2.43 -1.98 -3.04 114.38 117.40 1bxr h ARG 1021Ca 0.62 -0.48 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1bxr h ARG 1021Cb 1.67 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 1bxr h ARG 1021CO -0.54 1.23 0.21 0.00 -1.51 0.00 0.00 179.97 179.36 1bxr h ALA 1022N -0.00 1.97 0.10 2.80 0.00 -1.25 0.15 119.26 123.03 1bxr h ALA 1022Ca -0.33 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 1bxr h ALA 1022Cb 1.87 0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.71 1bxr h ALA 1022CO 0.09 -0.33 -1.16 0.82 0.00 0.00 0.00 179.25 178.67 1bxr h ILE 1023N 0.00 1.30 0.00 0.00 2.04 -1.16 -2.82 117.51 116.87 1bxr h ILE 1023Ca 0.11 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1bxr h ILE 1023Cb 0.52 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1bxr h ILE 1023CO -0.00 0.73 0.00 -0.62 0.00 0.00 0.00 178.15 178.26 1bxr n GLU 1024N -3.85 0.30 0.06 2.37 1.02 0.19 -1.99 120.64 118.73 1bxr n GLU 1024Ca -0.13 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1bxr n GLU 1024Cb 0.95 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 1bxr n GLU 1024CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bxr n ASP 1025N -1.35 0.61 -0.24 1.62 9.92 0.27 -4.11 116.55 123.27 1bxr n ASP 1025Ca 0.12 0.09 0.03 0.00 -0.53 0.00 0.00 54.79 54.49 1bxr n ASP 1025Cb 0.26 0.81 0.03 0.00 -0.64 0.00 0.00 41.12 41.59 1bxr n ASP 1025CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1bxr n SER 1026N -2.34 1.67 -0.13 -2.24 3.41 -1.04 -4.69 113.62 108.27 1bxr n SER 1026Ca 0.00 -1.39 0.18 0.00 -0.26 0.00 0.00 58.87 57.40 1bxr n SER 1026Cb 0.51 -0.02 0.58 0.00 -0.26 0.00 0.00 64.21 65.01 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 1.07 0.25 -0.50 4.33 2.43 -1.55 -2.94 114.38 117.48 1bxr h ARG 1027Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1bxr h ARG 1027Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1bxr h ARG 1027CO 0.00 0.17 0.26 -0.24 -1.51 0.00 0.00 179.97 178.65 1bxr h VAL 1028N 0.26 1.18 -0.20 0.20 3.04 -1.87 -1.40 116.25 117.47 1bxr h VAL 1028Ca 0.35 -0.50 0.02 0.00 -1.01 0.00 0.00 66.70 65.56 1bxr h VAL 1028Cb 1.00 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1bxr h VAL 1028CO -0.08 0.20 0.08 0.40 -1.01 0.00 0.00 177.57 177.16 1bxr h ILE 1029N 0.67 0.96 -0.09 3.17 5.03 -1.89 0.67 117.51 126.04 1bxr h ILE 1029Ca 0.18 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1bxr h ILE 1029Cb 0.09 0.77 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 1bxr h ILE 1029CO -0.03 0.03 0.05 0.03 -0.68 0.00 0.00 178.15 177.55 1bxr h ARG 1030N 0.18 0.10 -0.92 2.37 3.08 -1.62 0.83 114.38 118.40 1bxr h ARG 1030Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1bxr h ARG 1030Cb 0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1bxr h ARG 1030CO -0.08 0.07 0.58 0.00 -1.07 0.00 0.00 179.97 179.46 1bxr h ARG 1031N 0.10 1.23 -0.09 0.04 3.08 -0.92 -0.06 114.38 117.77 1bxr h ARG 1031Ca 0.04 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1bxr h ARG 1031Cb 0.00 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 1bxr h ARG 1031CO -0.02 0.84 -0.08 0.77 -1.07 0.00 0.00 179.97 180.41 1bxr h SER 1032N 1.25 0.22 -0.60 7.04 0.02 -0.40 0.23 113.55 121.32 1bxr h SER 1032Ca 0.33 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1bxr h SER 1032Cb -0.09 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1bxr h SER 1032CO -0.07 0.65 0.31 0.00 -1.14 0.00 0.00 176.83 176.58 1bxr h ALA 1033N 0.58 0.79 -0.22 3.77 0.00 0.83 0.51 119.26 125.52 1bxr h ALA 1033Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bxr h ALA 1033Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1bxr h ALA 1033CO 0.02 -0.05 0.09 1.25 0.00 0.00 0.00 179.25 180.56 1bxr h LEU 1034N 0.57 0.30 -2.02 0.00 5.85 -0.93 -0.22 115.31 118.86 1bxr h LEU 1034Ca 0.27 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1bxr h LEU 1034Cb 0.20 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1bxr h LEU 1034CO -0.19 0.38 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.62 1bxr h GLN 1035N 0.20 0.00 -0.51 1.25 4.15 0.36 -2.86 115.11 117.71 1bxr h GLN 1035Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1bxr h GLN 1035Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1bxr h GLN 1035CO -0.01 0.06 0.00 0.66 -1.93 0.00 0.00 178.83 177.61 1bxr n TYR 1036N -4.22 1.07 -2.84 3.99 4.01 0.17 -4.95 117.16 114.39 1bxr n TYR 1036Ca -0.03 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.90 1bxr n TYR 1036Cb 0.14 -0.17 0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.73 -3.90 -3.42 -0.72 4.76 -0.91 -4.99 118.16 109.71 1bxr n LYS 1037Ca 0.21 0.81 -0.38 0.00 -2.87 0.00 0.00 58.31 56.09 1bxr n LYS 1037Cb 0.74 -5.42 -0.07 0.00 -1.84 0.00 0.00 35.03 28.44 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 -3.07 5.23 0.16 -0.18 1.01 -0.14 -4.76 120.40 118.64 1bxr s VAL 1038Ca 0.23 0.66 -0.32 0.00 0.00 0.00 0.00 61.98 62.55 1bxr s VAL 1038Cb -0.10 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1bxr s VAL 1038CO 0.28 0.28 1.63 -2.28 0.00 0.00 0.00 175.10 175.01 1bxr s HIS 1039N 1.13 2.90 0.01 5.22 2.46 -1.25 -4.53 115.29 121.23 1bxr s HIS 1039Ca 0.18 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1bxr s HIS 1039Cb -0.14 -4.00 -0.01 0.00 -0.13 0.00 0.00 32.58 28.30 1bxr s HIS 1039CO 0.07 -3.78 -0.01 1.52 -2.47 0.00 0.00 174.74 170.07 1bxr s TYR 1040N 1.40 0.12 0.11 3.88 -0.85 -1.26 -1.83 117.35 118.92 1bxr s TYR 1040Ca 0.72 -0.22 0.08 0.00 -0.52 0.00 0.00 57.07 57.13 1bxr s TYR 1040Cb -0.45 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 1bxr s TYR 1040CO 0.32 -0.08 -0.14 -0.51 -1.52 0.00 0.00 175.55 173.62 1bxr s ASP 1041N -0.60 4.15 0.00 -0.18 1.01 -0.52 -4.99 116.67 115.54 1bxr s ASP 1041Ca -0.06 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.75 1bxr s ASP 1041Cb -0.04 -0.70 0.02 0.00 1.01 0.00 0.00 42.92 43.21 1bxr s ASP 1041CO -0.00 0.18 0.79 0.35 0.21 0.00 0.00 175.17 176.70 1bxr n THR 1042N 0.78 0.53 -4.34 -1.27 -2.24 -1.26 -1.55 114.28 104.93 1bxr n THR 1042Ca -0.14 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.68 1bxr n THR 1042Cb 0.52 0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.57 0.87 0.16 4.28 -4.23 -1.26 -4.54 115.64 110.35 1bxr s THR 1043Ca 0.02 -0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 1bxr s THR 1043Cb 0.01 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1bxr s THR 1043CO 0.02 0.06 1.61 0.25 -0.54 0.00 0.00 174.62 176.02 1bxr h LEU 1044N 5.37 0.94 -1.34 4.79 5.85 -1.96 -0.55 115.31 128.40 1bxr h LEU 1044Ca -0.34 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.09 1bxr h LEU 1044Cb 1.18 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1bxr h LEU 1044CO 0.46 1.02 0.46 0.78 -0.34 0.00 0.00 178.44 180.82 1bxr h ASN 1045N 0.83 0.75 -0.57 1.25 2.35 -1.96 0.32 115.58 118.54 1bxr h ASN 1045Ca 0.15 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1bxr h ASN 1045Cb 0.55 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1bxr h ASN 1045CO 0.03 0.53 0.17 1.23 -1.65 0.00 0.00 177.43 177.74 1bxr h GLY 1046N 0.88 1.01 1.34 2.83 0.00 -1.61 -1.70 103.07 105.82 1bxr h GLY 1046Ca 0.26 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1bxr h GLY 1046CO -0.07 0.55 -0.44 -1.33 0.00 0.00 0.00 176.54 175.25 1bxr h GLY 1047N 1.02 0.78 0.97 4.60 0.00 0.57 -1.27 103.07 109.75 1bxr h GLY 1047Ca 0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1bxr h GLY 1047CO -0.00 0.74 0.22 0.74 0.00 0.00 0.00 176.54 178.24 1bxr h PHE 1048N 0.58 0.75 -0.66 5.60 0.04 -0.12 0.21 116.94 123.34 1bxr h PHE 1048Ca 0.04 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1bxr h PHE 1048Cb 0.99 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 1bxr h PHE 1048CO 0.05 0.61 0.09 0.00 -0.60 0.00 0.00 178.31 178.46 1bxr h ALA 1049N 1.07 0.92 -0.77 2.45 0.00 -1.26 0.12 119.26 121.78 1bxr h ALA 1049Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bxr h ALA 1049Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1bxr h ALA 1049CO -0.02 0.67 0.48 1.15 0.00 0.00 0.00 179.25 181.52 1bxr h THR 1050N 1.02 1.21 -0.17 0.00 2.02 -0.68 -1.01 112.91 115.30 1bxr h THR 1050Ca 0.20 -0.44 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 1bxr h THR 1050Cb 0.46 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1bxr h THR 1050CO 0.02 0.22 -0.52 0.00 0.37 0.00 0.00 175.52 175.60 1bxr h ALA 1051N 1.47 0.29 -0.86 6.16 0.00 -0.40 -3.06 119.26 122.86 1bxr h ALA 1051Ca 0.28 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1bxr h ALA 1051Cb -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1bxr h ALA 1051CO -0.05 0.49 0.57 0.52 0.00 0.00 0.00 179.25 180.77 1bxr h MET 1052N 0.34 1.07 0.00 0.00 2.86 -0.39 -0.07 114.93 118.74 1bxr h MET 1052Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1bxr h MET 1052Cb 1.14 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1bxr h MET 1052CO 0.11 0.71 0.00 0.00 1.06 0.00 0.00 176.91 178.79 1bxr n ALA 1053N -2.40 1.97 0.23 6.32 0.00 -0.42 -2.46 120.51 123.75 1bxr n ALA 1053Ca 0.11 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1bxr n ALA 1053Cb 0.07 -1.29 0.53 0.00 0.00 0.00 0.00 19.45 18.76 1bxr n ALA 1053CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bxr h LEU 1054N 0.00 0.00 -1.64 0.00 3.38 -0.97 -1.80 115.31 114.28 1bxr h LEU 1054Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bxr h LEU 1054Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1bxr h LEU 1054CO 0.00 0.22 0.02 0.59 0.09 0.00 0.00 178.44 179.37 1bxr n ASN 1055N -3.57 2.11 -4.23 -0.43 4.13 -1.03 -4.87 115.26 107.37 1bxr n ASN 1055Ca -0.01 -2.20 -0.13 0.00 1.68 0.00 0.00 54.58 53.92 1bxr n ASN 1055Cb 0.37 -0.54 -0.10 0.00 -1.54 0.00 0.00 39.78 37.97 1bxr n ASN 1055CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bxr s ALA 1056N -1.21 1.33 -0.52 5.41 0.00 -0.68 -4.98 121.76 121.11 1bxr s ALA 1056Ca 0.10 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1bxr s ALA 1056Cb 0.08 0.14 0.14 0.00 0.00 0.00 0.00 23.12 23.49 1bxr s ALA 1056CO 0.03 -0.16 0.31 0.34 0.00 0.00 0.00 175.76 176.28 1bxr s ASP 1057N -3.14 3.96 0.55 0.00 2.15 -1.26 -4.98 116.67 113.94 1bxr s ASP 1057Ca 0.17 -3.06 0.12 0.00 0.43 0.00 0.00 52.55 50.20 1bxr s ASP 1057Cb 0.04 -1.32 0.67 0.00 -0.30 0.00 0.00 42.92 42.01 1bxr s ASP 1057CO -0.00 -0.21 1.32 0.00 -0.17 0.00 0.00 175.17 176.11 1bxr h ALA 1058N 6.27 1.55 -0.46 3.66 0.00 -1.90 0.95 119.26 129.33 1bxr h ALA 1058Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bxr h ALA 1058Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bxr h ALA 1058CO 0.59 -0.55 0.00 0.25 0.00 0.00 0.00 179.25 179.55 1bxr n THR 1059N -2.42 1.10 0.18 0.00 -2.24 -1.26 -4.70 114.28 104.94 1bxr n THR 1059Ca -0.01 -1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 60.62 1bxr n THR 1059Cb 0.63 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 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 2.68 -0.51 -5.11 -0.78 4.81 0.54 -3.47 114.58 112.74 1bxr h GLU 1060Ca 0.00 0.03 -0.43 0.00 -0.13 0.00 0.00 59.36 58.84 1bxr h GLU 1060Cb 0.86 0.12 -0.26 0.00 0.63 0.00 0.00 28.75 30.10 1bxr h GLU 1060CO 0.02 -0.27 -0.79 -1.59 -0.73 0.00 0.00 179.01 175.65 1bxr s LYS 1061N -3.57 0.89 -0.07 1.92 -2.85 -1.26 -5.15 119.74 109.65 1bxr s LYS 1061Ca -0.10 -0.60 0.04 0.00 -1.00 0.00 0.00 55.97 54.32 1bxr s LYS 1061Cb 0.01 -0.86 -0.00 0.00 -2.06 0.00 0.00 37.83 34.91 1bxr s LYS 1061CO 0.32 0.22 -0.20 0.14 0.10 0.00 0.00 175.35 175.93 1bxr s VAL 1062N -0.62 1.71 0.12 1.79 -7.23 -1.26 -5.03 120.40 109.87 1bxr s VAL 1062Ca 0.02 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.41 1bxr s VAL 1062Cb -0.06 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1bxr s VAL 1062CO 0.00 0.48 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.61 1bxr s ILE 1063N 0.18 1.40 0.04 -0.62 2.07 -1.26 -5.08 121.20 117.92 1bxr s ILE 1063Ca -0.10 -1.67 0.01 0.00 -1.41 0.00 0.00 60.65 57.48 1bxr s ILE 1063Cb -0.15 -1.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.90 1bxr s ILE 1063CO 0.05 -0.34 0.13 -0.94 -1.91 0.00 0.00 174.94 171.92 1bxr s SER 1064N -2.33 5.90 0.32 4.50 1.04 -1.26 -4.52 113.70 117.35 1bxr s SER 1064Ca 0.08 0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.76 1bxr s SER 1064Cb -0.06 -1.71 0.96 0.00 0.10 0.00 0.00 66.02 65.30 1bxr s SER 1064CO 0.03 0.21 1.67 0.58 0.98 0.00 0.00 173.24 176.71 1bxr h VAL 1065N 2.63 0.34 0.19 5.02 2.07 -1.19 0.65 116.25 125.95 1bxr h VAL 1065Ca -0.47 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1bxr h VAL 1065Cb 1.17 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1bxr h VAL 1065CO 0.68 0.06 -0.18 1.56 0.02 0.00 0.00 177.57 179.71 1bxr h GLN 1066N 0.33 -0.38 -0.77 1.57 7.50 -1.91 -0.21 115.11 121.23 1bxr h GLN 1066Ca 0.67 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.81 1bxr h GLN 1066Cb 1.46 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 29.05 1bxr h GLN 1066CO -0.60 -0.25 0.33 0.93 -1.50 0.00 0.00 178.83 177.74 1bxr h GLU 1067N -0.39 1.14 0.19 1.46 5.08 -0.58 -2.18 114.58 119.31 1bxr h GLU 1067Ca -0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1bxr h GLU 1067Cb 0.37 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1bxr h GLU 1067CO -0.04 0.91 -0.46 0.52 -1.00 0.00 0.00 179.01 178.94 1bxr h MET 1068N 1.11 -0.72 0.00 2.33 2.86 0.43 -0.60 114.93 120.34 1bxr h MET 1068Ca 0.26 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1bxr h MET 1068Cb 0.18 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1bxr h MET 1068CO -0.03 -0.48 0.00 0.45 1.06 0.00 0.00 176.91 177.92 1bxr h HIS 1069N -0.74 0.00 0.00 -0.22 3.86 -0.90 -1.02 115.15 116.13 1bxr h HIS 1069Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1bxr h HIS 1069Cb 0.73 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1bxr h HIS 1069CO -0.36 0.00 -0.63 0.00 0.86 0.00 0.00 177.93 177.79 1bxr h ALA 1070N 2.05 0.67 0.00 2.45 0.00 -0.46 -3.19 119.26 120.77 1bxr h ALA 1070Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bxr h ALA 1070Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bxr h ALA 1070CO 0.00 0.65 0.00 1.04 0.00 0.00 0.00 179.25 180.94 1bxr n GLN 1071N -3.16 0.23 -2.38 0.00 6.02 -0.39 -4.77 117.38 112.93 1bxr n GLN 1071Ca 0.00 0.22 -0.43 0.00 -0.01 0.00 0.00 57.00 56.79 1bxr n GLN 1071Cb 0.74 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 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 -3.12 4.10 -2.84 5.09 1.01 -1.21 -4.80 121.20 119.43 1bxr s ILE 1072Ca 0.10 1.26 0.25 0.00 0.00 0.00 0.00 60.65 62.26 1bxr s ILE 1072Cb 0.13 -4.06 0.30 0.00 0.01 0.00 0.00 42.46 38.84 1bxr s ILE 1072CO 0.56 -0.38 1.41 0.29 0.00 0.00 0.00 174.94 176.82