#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3s n ALA 2 N 0.00 0.00 -0.10 4.61 0.00 -1.26 -1.17 120.51 122.59 3g3s n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3g3s n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3g3s n ALA 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3g3s h GLU 3 N 0.00 0.62 -1.90 0.00 4.57 -2.05 -2.02 114.58 113.80 3g3s h GLU 3 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3g3s h GLU 3 Cb 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3g3s h GLU 3 CO 0.00 0.83 0.00 1.04 -1.18 0.00 0.00 179.01 179.70 3g3s n GLN 4 N -4.42 0.14 0.00 1.92 1.13 -0.32 -1.68 117.38 114.16 3g3s n GLN 4 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3g3s n GLN 4 Cb 0.36 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3g3s n GLN 4 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3g3s n ARG 6 N 1.19 0.00 -0.14 -1.09 1.74 -0.76 -1.48 116.66 116.11 3g3s n ARG 6 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3g3s n ARG 6 Cb 0.07 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.50 3g3s n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3s h ARG 7 N 0.00 0.64 -0.78 5.56 -0.00 -1.61 -2.49 114.38 115.70 3g3s h ARG 7 Ca 0.00 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.98 59.32 3g3s h ARG 7 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 29.97 29.84 3g3s h ARG 7 CO 0.00 0.63 0.38 0.28 0.00 0.00 0.00 179.97 181.26 3g3s h VAL 8 N 0.53 1.25 -0.43 2.04 2.07 -1.54 -2.03 116.25 118.13 3g3s h VAL 8 Ca 0.13 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3g3s h VAL 8 Cb 0.25 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3g3s h VAL 8 CO -0.01 0.29 0.17 0.00 0.02 0.00 0.00 177.57 178.05 3g3s h ALA 9 N 1.20 1.50 0.00 1.67 0.00 -1.78 -2.05 119.26 119.80 3g3s h ALA 9 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3g3s h ALA 9 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g3s h ALA 9 CO -0.03 0.39 -0.18 0.00 0.00 0.00 0.00 179.25 179.42 3g3s h ARG 10 N 0.60 0.00 -0.56 0.00 3.08 -0.91 -2.33 114.38 114.26 3g3s h ARG 10 Ca 0.15 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3g3s h ARG 10 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3g3s h ARG 10 CO -0.02 0.18 0.37 -0.07 -1.07 0.00 0.00 179.97 179.36 3g3s h LEU 11 N 0.00 0.51 -0.14 3.04 3.38 -1.29 -1.99 115.31 118.82 3g3s h LEU 11 Ca -0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3g3s h LEU 11 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3g3s h LEU 11 CO 0.02 0.34 -0.83 -0.26 0.09 0.00 0.00 178.44 177.80 3g3s h PHE 12 N 0.58 0.00 0.00 1.13 0.04 -1.51 -3.34 116.94 113.84 3g3s h PHE 12 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3g3s h PHE 12 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3g3s h PHE 12 CO -0.00 0.83 0.00 0.41 -0.60 0.00 0.00 178.31 178.95 3g3s n GLY 13 N 1.14 2.56 3.42 -1.45 0.00 -0.75 -3.79 105.19 106.31 3g3s n GLY 13 Ca 0.00 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 3g3s n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3s s ASP 14 N -4.00 6.65 -0.33 1.61 -1.08 -1.26 -4.93 116.67 113.33 3g3s s ASP 14 Ca 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 52.55 49.82 3g3s s ASP 14 Cb 0.00 -2.35 0.11 0.00 -1.46 0.00 0.00 42.92 39.23 3g3s s ASP 14 CO 0.00 -0.93 0.14 0.86 0.52 0.00 0.00 175.17 175.76 3g3s s TRP 15 N 2.00 1.40 -0.64 -5.34 -0.11 -1.25 -5.05 118.94 109.95 3g3s s TRP 15 Ca 0.28 -1.69 -0.08 0.00 1.22 0.00 0.00 56.10 55.84 3g3s s TRP 15 Cb -0.07 -1.51 -0.20 0.00 -1.50 0.00 0.00 33.47 30.20 3g3s s TRP 15 CO -0.09 -0.85 3.36 -0.35 -4.62 0.00 0.00 176.95 174.41 3g3s n PRO 16 N 4.61 2.68 -3.73 5.86 -0.04 -1.26 -4.83 135.00 138.28 3g3s n PRO 16 Ca 0.01 -1.48 -0.37 0.00 -0.04 0.00 0.00 63.50 61.62 3g3s n PRO 16 Cb 0.40 -2.32 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 3g3s n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3g3s s GLU 17 N 1.44 3.75 0.53 0.54 0.41 -1.26 -4.99 118.70 119.12 3g3s s GLU 17 Ca 0.68 -0.43 0.29 0.00 -0.41 0.00 0.00 54.97 55.10 3g3s s GLU 17 Cb 0.27 -3.40 1.45 0.00 -1.78 0.00 0.00 34.13 30.66 3g3s s GLU 17 CO -0.02 -0.16 2.05 1.79 -0.49 0.00 0.00 175.26 178.43 3g3s h THR 18 N 5.46 0.43 -0.09 3.63 1.35 -1.98 -0.81 112.91 120.91 3g3s h THR 18 Ca -0.37 -0.58 -0.13 0.00 -0.55 0.00 0.00 66.41 64.78 3g3s h THR 18 Cb 1.18 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3g3s h THR 18 CO 0.58 0.11 -0.51 0.40 -0.25 0.00 0.00 175.52 175.84 3g3s h ILE 19 N 0.00 1.35 -0.38 6.82 2.04 -1.96 0.28 117.51 125.66 3g3s h ILE 19 Ca -0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 3g3s h ILE 19 Cb 0.40 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3g3s h ILE 19 CO 0.01 0.52 0.11 0.40 0.00 0.00 0.00 178.15 179.20 3g3s h ILE 20 N 0.19 1.22 -0.66 -0.67 2.04 -1.52 -0.91 117.51 117.19 3g3s h ILE 20 Ca 0.01 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3g3s h ILE 20 Cb 0.97 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3g3s h ILE 20 CO 0.08 0.25 0.36 -0.50 0.00 0.00 0.00 178.15 178.34 3g3s h TRP 21 N 0.46 0.66 -0.03 1.37 6.55 -1.02 -0.20 115.95 123.73 3g3s h TRP 21 Ca 0.12 0.02 0.04 0.00 0.95 0.00 0.00 58.89 60.02 3g3s h TRP 21 Cb 0.27 -0.20 -0.05 0.00 -0.86 0.00 0.00 29.16 28.32 3g3s h TRP 21 CO 0.01 0.31 -0.27 1.15 -1.05 0.00 0.00 178.44 178.59 3g3s h THR 22 N 0.66 0.39 -0.65 1.49 2.02 -0.24 0.10 112.91 116.68 3g3s h THR 22 Ca 0.30 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.49 3g3s h THR 22 Cb 0.20 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3g3s h THR 22 CO -0.19 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.13 3g3s h LEU 24 N 0.86 0.00 -0.76 0.00 3.38 -0.85 -3.28 115.31 114.66 3g3s h LEU 24 Ca 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 3g3s h LEU 24 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3g3s h LEU 24 CO -0.07 0.27 -0.62 -0.33 0.09 0.00 0.00 178.44 177.79 3g3s h GLU 25 N 0.00 0.00 0.00 1.13 5.08 -0.61 -3.48 114.58 116.69 3g3s h GLU 25 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g3s h GLU 25 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3g3s h GLU 25 CO 0.04 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 3g3s n GLY 26 N 0.26 0.94 0.11 -3.84 0.00 -1.17 -5.11 105.19 96.36 3g3s n GLY 26 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3g3s n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g3s n THR 27 N -0.87 0.00 -1.39 2.61 -1.04 -1.26 -5.08 114.28 107.25 3g3s n THR 27 Ca 0.00 -0.06 0.07 0.00 -2.04 0.00 0.00 64.05 62.02 3g3s n THR 27 Cb 0.00 0.13 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 3g3s n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g3s n GLY 29 N 1.39 -0.80 3.63 3.41 0.00 -1.26 -5.15 105.19 106.41 3g3s n GLY 29 Ca 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3g3s n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3s s ASP 30 N -4.13 -0.19 -0.04 1.61 -1.08 -0.36 -4.92 116.67 107.55 3g3s s ASP 30 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 52.55 51.36 3g3s s ASP 30 Cb 0.00 0.62 0.01 0.00 -1.46 0.00 0.00 42.92 42.09 3g3s s ASP 30 CO 0.00 -1.16 -0.08 -0.63 0.52 0.00 0.00 175.17 173.82 3g3s s ILE 31 N -3.94 0.76 0.07 4.11 -1.09 -1.26 -1.32 121.20 118.53 3g3s s ILE 31 Ca 0.15 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.35 3g3s s ILE 31 Cb -0.02 -0.72 -0.03 0.00 -1.58 0.00 0.00 42.46 40.11 3g3s s ILE 31 CO 0.04 0.26 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.53 3g3s s TYR 32 N 0.63 1.55 0.12 3.97 1.51 -0.48 -4.99 117.35 119.67 3g3s s TYR 32 Ca -0.10 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3g3s s TYR 32 Cb -0.13 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 3g3s s TYR 32 CO 0.01 0.12 0.04 0.14 -1.11 0.00 0.00 175.55 174.75 3g3s s VAL 33 N -1.06 0.14 0.22 0.71 -7.23 -1.26 -0.69 120.40 111.24 3g3s s VAL 33 Ca 0.04 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3g3s s VAL 33 Cb -0.09 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 3g3s s VAL 33 CO 0.03 -0.56 1.55 -2.24 -0.31 0.00 0.00 175.10 173.57 3g3s h ASP 34 N 2.91 0.51 -2.63 4.85 2.03 -1.81 -3.45 116.42 118.83 3g3s h ASP 34 Ca -0.35 -0.26 -0.12 0.00 -0.73 0.00 0.00 57.03 55.57 3g3s h ASP 34 Cb 1.19 -0.15 -0.28 0.00 -0.83 0.00 0.00 39.33 39.26 3g3s h ASP 34 CO 0.60 0.94 -0.40 -0.62 -1.03 0.00 0.00 179.24 178.73 3g3s s ASP 35 N -6.90 -0.14 0.19 4.15 -1.08 -1.26 -5.04 116.67 106.59 3g3s s ASP 35 Ca -0.06 0.90 -0.11 0.00 -0.52 0.00 0.00 52.55 52.75 3g3s s ASP 35 Cb 0.12 1.18 0.19 0.00 -1.46 0.00 0.00 42.92 42.94 3g3s s ASP 35 CO 0.82 -0.23 1.80 0.77 0.52 0.00 0.00 175.17 178.85 3g3s h SER 36 N 8.13 0.46 0.74 -0.34 4.64 -2.00 -1.56 113.55 123.62 3g3s h SER 36 Ca -0.17 0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 60.94 3g3s h SER 36 Cb 1.11 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3g3s h SER 36 CO 0.13 0.31 -1.11 1.56 -0.87 0.00 0.00 176.83 176.85 3g3s h GLN 37 N 0.59 0.18 -2.10 4.77 1.08 -2.00 -3.39 115.11 114.24 3g3s h GLN 37 Ca 0.26 -0.28 -0.54 0.00 -1.45 0.00 0.00 58.65 56.64 3g3s h GLN 37 Cb 0.15 0.10 -0.41 0.00 -0.05 0.00 0.00 27.48 27.28 3g3s h GLN 37 CO -0.17 1.11 -0.95 0.45 -0.95 0.00 0.00 178.83 178.33 3g3s n SER 38 N -3.50 2.06 -4.67 1.46 2.88 -1.15 -5.10 113.62 105.60 3g3s n SER 38 Ca -0.05 -3.18 -0.42 0.00 -1.33 0.00 0.00 58.87 53.89 3g3s n SER 38 Cb 0.96 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 3g3s n SER 38 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3g3s s PRO 39 N -2.42 4.21 -0.00 -1.46 0.04 -0.60 -4.52 135.00 130.25 3g3s s PRO 39 Ca 0.41 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.61 3g3s s PRO 39 Cb 0.26 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 3g3s s PRO 39 CO -0.09 -0.76 0.02 1.04 0.04 0.00 0.00 177.00 177.24 3g3s n GLN 40 N 6.43 3.93 -3.98 4.56 6.02 -1.26 -4.92 117.38 128.16 3g3s n GLN 40 Ca 0.16 -0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 3g3s n GLN 40 Cb 0.42 -0.73 -0.14 0.00 1.02 0.00 0.00 30.24 30.81 3g3s n GLN 40 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3g3s s SER 41 N -1.48 0.25 0.07 1.08 0.01 -1.26 -1.04 113.70 111.33 3g3s s SER 41 Ca 0.00 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 3g3s s SER 41 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 3g3s s SER 41 CO 0.02 0.01 0.13 0.00 0.41 0.00 0.00 173.24 173.81 3g3s s ALA 42 N 0.06 -0.04 -0.08 1.44 0.00 -0.15 -2.17 121.76 120.82 3g3s s ALA 42 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3g3s s ALA 42 Cb -0.02 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.53 3g3s s ALA 42 CO -0.00 -0.45 -0.01 -1.17 0.00 0.00 0.00 175.76 174.12 3g3s s LEU 43 N -2.77 0.71 -0.37 0.00 2.96 0.14 -0.60 118.68 118.74 3g3s s LEU 43 Ca 0.04 -0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.68 3g3s s LEU 43 Cb 0.05 -0.49 -0.00 0.00 0.50 0.00 0.00 46.19 46.25 3g3s s LEU 43 CO -0.10 -0.18 0.38 0.00 -1.32 0.00 0.00 176.35 175.14 3g3s s ALA 44 N 1.88 3.48 -0.18 5.97 0.00 -0.17 -1.38 121.76 131.35 3g3s s ALA 44 Ca 0.04 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 3g3s s ALA 44 Cb -0.12 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3g3s s ALA 44 CO -0.05 -1.24 -0.13 -1.17 0.00 0.00 0.00 175.76 173.17 3g3s s LEU 45 N 2.04 2.53 -0.00 0.00 2.96 -0.43 -0.95 118.68 124.82 3g3s s LEU 45 Ca 0.12 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3g3s s LEU 45 Cb -0.17 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3g3s s LEU 45 CO 0.12 0.03 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.63 3g3s s TYR 46 N 1.17 0.68 0.00 5.38 5.04 -0.53 -1.23 117.35 127.86 3g3s s TYR 46 Ca 0.01 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3g3s s TYR 46 Cb -0.14 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.73 3g3s s TYR 46 CO -0.05 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.56 3g3s n GLY 47 N 2.82 1.75 2.00 8.97 0.00 -1.26 -1.00 105.19 118.46 3g3s n GLY 47 Ca -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3g3s n GLY 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g3s n ARG 48 N -1.91 0.00 -0.10 1.61 0.63 -1.26 -4.96 116.66 110.66 3g3s n ARG 48 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 3g3s n ARG 48 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 3g3s n ARG 48 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3g3s n GLN 49 N -2.54 0.47 -4.34 -0.14 6.02 -1.26 -4.99 117.38 110.60 3g3s n GLN 49 Ca 0.00 0.17 -0.24 0.00 -0.01 0.00 0.00 57.00 56.93 3g3s n GLN 49 Cb 0.00 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 29.88 3g3s n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g3s s SER 50 N -6.61 4.26 0.05 1.08 1.04 -1.26 -4.51 113.70 107.76 3g3s s SER 50 Ca -0.29 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 3g3s s SER 50 Cb 0.10 -0.69 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 3g3s s SER 50 CO 0.40 0.02 0.02 -0.36 0.98 0.00 0.00 173.24 174.30 3g3s s PHE 51 N -2.30 0.42 0.04 5.02 0.40 0.48 -4.29 117.98 117.75 3g3s s PHE 51 Ca 0.30 -0.92 0.08 0.00 -0.60 0.00 0.00 56.93 55.79 3g3s s PHE 51 Cb -0.06 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 3g3s s PHE 51 CO 0.18 -0.40 -0.24 -0.06 0.70 0.00 0.00 175.22 175.40 3g3s s PHE 52 N -3.71 2.09 -0.29 0.36 0.40 -0.17 -0.55 117.98 116.11 3g3s s PHE 52 Ca 0.05 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3g3s s PHE 52 Cb 0.06 -1.25 0.09 0.00 0.51 0.00 0.00 43.02 42.43 3g3s s PHE 52 CO -0.09 0.10 0.06 0.20 0.70 0.00 0.00 175.22 176.19 3g3s s GLY 53 N -1.16 1.14 -0.23 4.36 0.00 0.06 -1.46 107.32 110.04 3g3s s GLY 53 Ca 0.10 -1.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.08 3g3s s GLY 53 CO 0.02 1.42 0.41 -1.36 0.00 0.00 0.00 173.10 173.58 3g3s s PHE 54 N 1.54 3.32 -0.28 1.90 0.40 -0.13 -0.17 117.98 124.57 3g3s s PHE 54 Ca 0.06 0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 56.88 3g3s s PHE 54 Cb -0.18 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.79 3g3s s PHE 54 CO -0.18 -0.12 0.05 -0.51 0.70 0.00 0.00 175.22 175.16 3g3s s LEU 55 N 1.70 3.65 0.26 -0.37 1.43 -0.42 -1.00 118.68 123.93 3g3s s LEU 55 Ca 0.18 -0.65 0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3g3s s LEU 55 Cb -0.15 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3g3s s LEU 55 CO 0.09 -0.15 -0.21 0.00 0.23 0.00 0.00 176.35 176.31 3g3s s ALA 56 N 1.49 2.68 0.00 4.21 0.00 0.24 -1.19 121.76 129.18 3g3s s ALA 56 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3g3s s ALA 56 Cb -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3g3s s ALA 56 CO 0.01 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.49 3g3s n GLY 57 N -0.44 -0.80 3.77 0.00 0.00 -1.26 -0.98 105.19 105.48 3g3s n GLY 57 Ca -0.07 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3g3s n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3s s GLN 58 N 0.00 4.14 0.35 1.61 -1.52 -0.21 -4.90 119.66 119.14 3g3s s GLN 58 Ca 0.00 1.97 -0.29 0.00 -1.95 0.00 0.00 55.36 55.09 3g3s s GLN 58 Cb 0.00 -2.81 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 3g3s s GLN 58 CO 0.00 -0.28 1.45 -2.14 -0.25 0.00 0.00 175.29 174.07 3g3s s PRO 59 N -2.11 4.18 -0.13 2.91 0.02 -1.26 -4.46 135.00 134.14 3g3s s PRO 59 Ca 0.54 2.48 -0.05 0.00 0.02 0.00 0.00 61.00 63.99 3g3s s PRO 59 Cb -0.34 -3.01 0.06 0.00 0.02 0.00 0.00 34.50 31.24 3g3s s PRO 59 CO 0.43 -0.46 0.27 -1.58 -0.33 0.00 0.00 177.00 175.34 3g3s s HIS 60 N -0.93 -0.44 0.23 6.54 2.46 -1.26 -5.05 115.29 116.84 3g3s s HIS 60 Ca 0.53 1.00 0.22 0.00 0.47 0.00 0.00 55.06 57.28 3g3s s HIS 60 Cb -0.45 -0.01 0.96 0.00 -0.13 0.00 0.00 32.58 32.95 3g3s s HIS 60 CO 0.58 -0.36 1.86 0.07 -2.47 0.00 0.00 174.74 174.42 3g3s h ARG 61 N 8.22 0.00 -0.06 2.88 0.11 -1.99 -2.70 114.38 120.84 3g3s h ARG 61 Ca -0.16 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.84 3g3s h ARG 61 Cb 1.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 3g3s h ARG 61 CO 0.15 0.26 -0.32 -0.44 0.10 0.00 0.00 179.97 179.71 3g3s h ASP 62 N 0.00 0.12 -0.12 0.08 3.32 -2.00 -2.12 116.42 115.70 3g3s h ASP 62 Ca -0.00 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 3g3s h ASP 62 Cb 0.69 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3g3s h ASP 62 CO 0.03 0.45 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.52 3g3s h LEU 63 N 0.11 0.70 -1.18 1.55 3.38 -1.87 -2.86 115.31 115.13 3g3s h LEU 63 Ca 0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3g3s h LEU 63 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3g3s h LEU 63 CO 0.05 1.02 0.40 -0.07 0.09 0.00 0.00 178.44 179.93 3g3s h LEU 64 N 0.54 0.86 -1.33 1.67 3.38 -1.50 -2.71 115.31 116.21 3g3s h LEU 64 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g3s h LEU 64 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3g3s h LEU 64 CO 0.08 0.68 0.39 0.11 0.09 0.00 0.00 178.44 179.79 3g3s h LYS 65 N 0.98 0.84 0.00 1.13 1.57 -1.16 -1.15 116.57 118.78 3g3s h LYS 65 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3g3s h LYS 65 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3g3s h LYS 65 CO -0.04 0.58 -0.07 0.82 -0.57 0.00 0.00 179.45 180.16 3g3s h ILE 66 N 0.86 0.95 0.00 1.86 2.04 -1.40 -1.58 117.51 120.25 3g3s h ILE 66 Ca 0.23 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3g3s h ILE 66 Cb -0.06 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3g3s h ILE 66 CO -0.05 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.04 3g3s s GLU 68 N -3.05 3.65 -0.82 0.00 2.02 -0.60 -3.31 118.70 116.60 3g3s s GLU 68 Ca 0.12 1.80 0.00 0.00 0.02 0.00 0.00 54.97 56.91 3g3s s GLU 68 Cb 0.16 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3g3s s GLU 68 CO 0.60 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3g3s n GLY 69 N 0.45 0.92 3.33 -1.39 0.00 -1.26 -5.03 105.19 102.21 3g3s n GLY 69 Ca 0.08 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3g3s n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3s s LYS 70 N -2.77 1.25 -1.20 1.61 1.02 -1.21 -5.05 119.74 113.39 3g3s s LYS 70 Ca 0.00 -1.26 -0.20 0.00 0.02 0.00 0.00 55.97 54.52 3g3s s LYS 70 Cb 0.00 -1.59 0.02 0.00 -0.52 0.00 0.00 37.83 35.74 3g3s s LYS 70 CO 0.00 0.37 1.76 1.21 -0.92 0.00 0.00 175.35 177.77 3g3s s ASN 71 N -2.05 6.21 0.02 2.83 2.47 -1.26 -4.87 114.94 118.30 3g3s s ASN 71 Ca 0.10 -1.98 0.05 0.00 0.42 0.00 0.00 52.86 51.46 3g3s s ASN 71 Cb -0.10 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.11 3g3s s ASN 71 CO 0.05 -1.81 -0.16 -0.51 -3.72 0.00 0.00 177.10 170.95 3g3s s ILE 72 N 6.47 1.28 -0.30 -5.21 2.07 -1.26 -0.39 121.20 123.85 3g3s s ILE 72 Ca 0.57 -0.88 -0.12 0.00 -1.41 0.00 0.00 60.65 58.82 3g3s s ILE 72 Cb 0.01 -1.10 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 3g3s s ILE 72 CO 0.06 0.21 0.21 -0.63 -1.91 0.00 0.00 174.94 172.87 3g3s s ILE 73 N -0.61 5.25 -0.17 2.00 1.01 0.29 -4.30 121.20 124.67 3g3s s ILE 73 Ca 0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 3g3s s ILE 73 Cb -0.07 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3g3s s ILE 73 CO 0.00 0.15 0.43 -0.76 0.00 0.00 0.00 174.94 174.76 3g3s s LEU 74 N 1.74 4.20 -0.31 2.97 2.01 0.89 -0.76 118.68 129.41 3g3s s LEU 74 Ca 0.07 0.63 0.03 0.00 0.01 0.00 0.00 54.13 54.87 3g3s s LEU 74 Cb -0.17 -2.59 0.09 0.00 0.01 0.00 0.00 46.19 43.53 3g3s s LEU 74 CO 0.10 -0.06 0.00 -0.69 1.01 0.00 0.00 176.35 176.72 3g3s s VAL 75 N 1.10 2.28 0.15 -1.59 1.01 0.77 -1.26 120.40 122.86 3g3s s VAL 75 Ca 0.22 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.80 3g3s s VAL 75 Cb -0.15 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 3g3s s VAL 75 CO 0.08 -0.41 1.15 -2.16 0.00 0.00 0.00 175.10 173.77 3g3s s PRO 76 N 0.98 4.52 0.31 2.72 0.04 -1.26 -1.30 135.00 141.01 3g3s s PRO 76 Ca 0.04 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3g3s s PRO 76 Cb -0.19 -3.29 0.52 0.00 0.04 0.00 0.00 34.50 31.58 3g3s s PRO 76 CO -0.07 -0.06 1.81 0.37 0.04 0.00 0.00 177.00 179.10 3g3s h GLN 77 N 5.58 0.52 -4.06 4.56 4.15 -1.55 -3.47 115.11 120.85 3g3s h GLN 77 Ca -0.44 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 58.67 3g3s h GLN 77 Cb 1.21 -0.06 -0.11 0.00 0.21 0.00 0.00 27.48 28.74 3g3s h GLN 77 CO 0.75 0.62 -0.29 0.54 -1.93 0.00 0.00 178.83 178.52 3g3s s ASN 78 N -6.76 0.25 0.50 -0.69 2.20 -1.26 -5.05 114.94 104.14 3g3s s ASN 78 Ca -0.07 -1.21 0.27 0.00 -0.94 0.00 0.00 52.86 50.91 3g3s s ASN 78 Cb 0.15 0.54 1.31 0.00 -2.00 0.00 0.00 41.25 41.25 3g3s s ASN 78 CO 0.78 -1.09 2.00 -0.61 -2.94 0.00 0.00 177.10 175.24 3g3s h GLN 79 N 2.32 0.00 -0.59 3.55 5.75 -1.99 -2.44 115.11 121.70 3g3s h GLN 79 Ca -0.29 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.11 3g3s h GLN 79 Cb 1.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 3g3s h GLN 79 CO 0.41 0.15 -0.01 0.00 -2.65 0.00 0.00 178.83 176.73 3g3s h ALA 80 N 1.85 0.80 -0.36 3.38 0.00 -1.97 -0.79 119.26 122.17 3g3s h ALA 80 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3g3s h ALA 80 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3g3s h ALA 80 CO 0.02 0.65 0.10 -1.49 0.00 0.00 0.00 179.25 178.52 3g3s h TRP 81 N 0.95 0.60 -0.86 0.00 4.06 -1.79 -2.38 115.95 116.52 3g3s h TRP 81 Ca 0.17 -0.07 0.06 0.00 2.06 0.00 0.00 58.89 61.11 3g3s h TRP 81 Cb 0.57 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 3g3s h TRP 81 CO 0.04 0.59 0.54 0.77 -3.56 0.00 0.00 178.44 176.81 3g3s h SER 82 N 0.44 0.85 -0.47 -3.49 0.02 -1.16 -0.58 113.55 109.15 3g3s h SER 82 Ca 0.12 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3g3s h SER 82 Cb 0.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3g3s h SER 82 CO -0.00 0.55 0.07 0.44 -1.14 0.00 0.00 176.83 176.75 3g3s h ASP 83 N 0.99 0.81 -0.20 3.07 3.32 -1.10 -1.12 116.42 122.18 3g3s h ASP 83 Ca 0.37 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3g3s h ASP 83 Cb 0.15 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3g3s h ASP 83 CO -0.17 0.83 -0.20 0.25 -1.72 0.00 0.00 179.24 178.24 3g3s h LEU 84 N 0.81 0.53 -0.32 1.55 5.85 -0.76 -1.33 115.31 121.63 3g3s h LEU 84 Ca 0.17 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3g3s h LEU 84 Cb 0.38 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3g3s h LEU 84 CO 0.01 0.89 0.04 0.40 -0.34 0.00 0.00 178.44 179.44 3g3s h ILE 85 N 0.17 0.81 -0.49 4.05 2.04 -0.91 0.13 117.51 123.30 3g3s h ILE 85 Ca 0.03 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 3g3s h ILE 85 Cb 0.74 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3g3s h ILE 85 CO 0.05 0.03 -0.18 -0.33 0.00 0.00 0.00 178.15 177.72 3g3s h GLU 86 N 0.14 0.99 -0.09 2.37 5.08 -1.18 -1.86 114.58 120.03 3g3s h GLU 86 Ca 0.15 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3g3s h GLU 86 Cb 0.18 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3g3s h GLU 86 CO -0.22 1.08 0.04 1.49 -1.00 0.00 0.00 179.01 180.40 3g3s h GLU 87 N 0.85 0.13 -0.34 2.33 4.81 -0.98 -0.42 114.58 120.97 3g3s h GLU 87 Ca 0.12 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3g3s h GLU 87 Cb 0.75 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3g3s h GLU 87 CO 0.06 0.23 -0.35 0.28 -0.73 0.00 0.00 179.01 178.51 3g3s h VAL 88 N 0.00 1.28 0.00 0.32 2.07 -0.89 -3.37 116.25 115.67 3g3s h VAL 88 Ca 0.03 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3g3s h VAL 88 Cb 0.15 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3g3s h VAL 88 CO -0.00 0.49 -0.66 -1.22 0.02 0.00 0.00 177.57 176.20 3g3s n TYR 89 N -4.06 0.00 0.00 1.57 4.01 -0.71 -5.05 117.16 112.92 3g3s n TYR 89 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3g3s n TYR 89 Cb 0.51 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3g3s n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g3s n GLY 90 N 1.37 3.15 0.00 2.72 0.00 -0.17 0.21 105.19 112.48 3g3s n GLY 90 Ca 0.01 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3g3s n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g3s n ASP 91 N 4.76 0.00 0.00 1.61 8.00 -1.26 -3.18 116.55 126.47 3g3s n ASP 91 Ca 0.00 -0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.48 3g3s n ASP 91 Cb 0.00 -0.23 0.75 0.00 -0.02 0.00 0.00 41.12 41.62 3g3s n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3s n GLY 92 N 0.52 -0.93 3.18 0.44 0.00 0.13 -4.68 105.19 103.85 3g3s n GLY 92 Ca 0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3g3s n GLY 92 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g3s s VAL 93 N -2.17 1.41 -0.22 1.61 -7.23 -1.19 -1.05 120.40 111.56 3g3s s VAL 93 Ca 0.36 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.62 3g3s s VAL 93 Cb 0.18 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 3g3s s VAL 93 CO 0.34 0.36 0.11 -0.60 -0.31 0.00 0.00 175.10 175.00 3g3s s ARG 94 N -0.54 3.98 -0.07 4.82 3.52 0.14 -4.76 118.95 126.04 3g3s s ARG 94 Ca 0.07 -0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 55.20 3g3s s ARG 94 Cb -0.07 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3g3s s ARG 94 CO -0.00 0.09 0.36 0.12 -0.81 0.00 0.00 175.30 175.06 3g3s s PHE 95 N 0.92 3.61 0.30 5.12 5.36 -1.26 -1.64 117.98 130.39 3g3s s PHE 95 Ca 0.06 0.83 -0.17 0.00 -0.96 0.00 0.00 56.93 56.69 3g3s s PHE 95 Cb -0.13 -2.31 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3g3s s PHE 95 CO 0.03 0.47 0.67 -0.59 -1.46 0.00 0.00 175.22 174.34 3g3s s PHE 96 N -0.39 0.09 -0.12 10.12 -0.71 -0.15 -5.00 117.98 121.82 3g3s s PHE 96 Ca 0.21 -0.57 0.01 0.00 -1.04 0.00 0.00 56.93 55.55 3g3s s PHE 96 Cb -0.15 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 3g3s s PHE 96 CO 0.09 -1.27 -0.16 0.99 -1.34 0.00 0.00 175.22 173.53 3g3s s THR 97 N -3.47 2.77 0.35 -4.49 2.01 -1.26 -0.98 115.64 110.57 3g3s s THR 97 Ca 0.16 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.47 3g3s s THR 97 Cb -0.04 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3g3s s THR 97 CO 0.09 0.54 0.13 -0.13 -0.69 0.00 0.00 174.62 174.56 3g3s s ARG 98 N 0.28 2.32 -0.18 4.92 0.52 -0.48 -4.65 118.95 121.68 3g3s s ARG 98 Ca -0.12 -1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 53.49 3g3s s ARG 98 Cb -0.16 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.23 3g3s s ARG 98 CO 0.06 0.09 -0.06 0.71 0.02 0.00 0.00 175.30 176.12 3g3s s TYR 99 N -2.46 1.90 0.45 -0.53 1.51 -0.14 0.05 117.35 118.13 3g3s s TYR 99 Ca 0.38 -1.26 -0.20 0.00 -1.01 0.00 0.00 57.07 54.99 3g3s s TYR 99 Cb -0.02 -1.40 -0.10 0.00 -0.11 0.00 0.00 41.96 40.33 3g3s s TYR 99 CO 0.22 -0.66 0.96 0.00 -1.11 0.00 0.00 175.55 174.96 3g3s s ALA 100 N 1.57 3.05 0.25 3.71 0.00 -0.21 -0.67 121.76 129.46 3g3s s ALA 100 Ca -0.00 0.33 0.11 0.00 0.00 0.00 0.00 51.96 52.40 3g3s s ALA 100 Cb -0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 3g3s s ALA 100 CO -0.08 0.02 -0.17 0.95 0.00 0.00 0.00 175.76 176.49 3g3s s THR 101 N -2.31 2.66 0.43 0.00 -4.23 -1.25 -0.65 115.64 110.29 3g3s s THR 101 Ca 0.61 -2.20 -0.25 0.00 -1.18 0.00 0.00 61.69 58.67 3g3s s THR 101 Cb -0.09 -2.37 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 3g3s s THR 101 CO 0.19 -0.32 1.23 -0.54 -0.54 0.00 0.00 174.62 174.64 3g3s s LYS 102 N -3.32 3.89 0.00 3.99 1.02 0.38 -4.62 119.74 121.07 3g3s s LYS 102 Ca 0.28 1.98 0.15 0.00 0.02 0.00 0.00 55.97 58.40 3g3s s LYS 102 Cb -0.06 -2.62 0.44 0.00 -0.52 0.00 0.00 37.83 35.07 3g3s s LYS 102 CO 0.15 -0.50 1.37 1.63 -0.92 0.00 0.00 175.35 177.07 3g3s n LYS 103 N -0.10 2.09 -1.21 1.68 4.76 -1.26 -4.28 118.16 119.84 3g3s n LYS 103 Ca 0.05 -1.69 -0.18 0.00 -2.87 0.00 0.00 58.31 53.62 3g3s n LYS 103 Cb 0.46 -1.38 0.14 0.00 -1.84 0.00 0.00 35.03 32.41 3g3s n LYS 103 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3g3s n ASP 104 N 0.88 4.17 -4.68 4.39 5.68 -1.26 -5.06 116.55 120.68 3g3s n ASP 104 Ca 0.16 -3.76 -0.45 0.00 -0.50 0.00 0.00 54.79 50.24 3g3s n ASP 104 Cb 0.40 -0.69 -0.03 0.00 -1.14 0.00 0.00 41.12 39.66 3g3s n ASP 104 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3g3s n THR 105 N -1.02 0.56 -3.56 2.12 -1.04 -1.26 -4.98 114.28 105.10 3g3s n THR 105 Ca 0.46 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.92 3g3s n THR 105 Cb 1.06 -1.54 -0.11 0.00 -1.82 0.00 0.00 70.33 67.92 3g3s n THR 105 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3g3s s GLU 106 N 0.14 2.87 0.17 -2.82 2.02 -1.26 -5.08 118.70 114.74 3g3s s GLU 106 Ca 0.72 -1.06 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 3g3s s GLU 106 Cb -0.65 -3.80 -0.07 0.00 0.10 0.00 0.00 34.13 29.71 3g3s s GLU 106 CO 0.45 -0.71 0.57 -0.06 0.02 0.00 0.00 175.26 175.52 3g3s s PHE 107 N 1.59 3.58 -0.63 1.61 0.08 -1.26 -4.91 117.98 118.04 3g3s s PHE 107 Ca 0.03 1.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.99 3g3s s PHE 107 Cb -0.19 -2.38 0.15 0.00 -0.57 0.00 0.00 43.02 40.03 3g3s s PHE 107 CO 0.08 0.39 0.61 0.34 -0.10 0.00 0.00 175.22 176.54 3g3s s ASP 108 N -1.81 6.36 0.43 1.36 -1.08 -1.26 -4.92 116.67 115.73 3g3s s ASP 108 Ca 0.40 -2.00 0.10 0.00 -0.52 0.00 0.00 52.55 50.52 3g3s s ASP 108 Cb -0.14 -2.22 0.95 0.00 -1.46 0.00 0.00 42.92 40.04 3g3s s ASP 108 CO 0.19 -0.81 2.05 -0.07 0.52 0.00 0.00 175.17 177.05 3g3s h LEU 109 N 8.74 0.40 -0.21 -1.34 3.38 -1.99 -1.38 115.31 122.91 3g3s h LEU 109 Ca -0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3g3s h LEU 109 Cb 1.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3g3s h LEU 109 CO 0.97 0.28 0.04 1.23 0.09 0.00 0.00 178.44 181.05 3g3s h GLY 110 N 0.46 0.36 0.95 0.83 0.00 -1.99 -1.55 103.07 102.13 3g3s h GLY 110 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3g3s h GLY 110 CO -0.04 0.22 0.31 0.84 0.00 0.00 0.00 176.54 177.87 3g3s h HIS 111 N 0.14 0.58 -0.46 5.60 -0.00 -1.89 -1.59 115.15 117.54 3g3s h HIS 111 Ca 0.06 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 3g3s h HIS 111 Cb 0.30 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 3g3s h HIS 111 CO 0.02 0.35 0.10 -0.07 -0.00 0.00 0.00 177.93 178.33 3g3s h LEU 112 N 0.62 0.70 -0.94 0.26 3.38 -1.16 -2.42 115.31 115.76 3g3s h LEU 112 Ca 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3g3s h LEU 112 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3g3s h LEU 112 CO -0.06 0.76 0.27 -0.61 0.09 0.00 0.00 178.44 178.89 3g3s h GLN 113 N 0.61 1.04 -0.83 1.13 5.75 -1.11 -2.08 115.11 119.61 3g3s h GLN 113 Ca 0.14 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3g3s h GLN 113 Cb 0.34 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 3g3s h GLN 113 CO 0.00 0.85 0.53 -0.22 -2.65 0.00 0.00 178.83 177.35 3g3s h LYS 114 N 1.02 1.02 -0.81 1.69 1.63 -0.90 0.79 116.57 121.01 3g3s h LYS 114 Ca 0.24 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 3g3s h LYS 114 Cb 0.21 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 3g3s h LYS 114 CO -0.02 0.67 0.46 -0.07 -3.45 0.00 0.00 179.45 177.04 3g3s h LEU 115 N 1.05 0.99 -0.13 5.20 3.38 -1.00 0.10 115.31 124.90 3g3s h LEU 115 Ca 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3g3s h LEU 115 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3g3s h LEU 115 CO -0.11 0.79 0.04 0.58 0.09 0.00 0.00 178.44 179.83 3g3s h VAL 116 N 1.12 1.18 -0.57 1.22 2.07 -0.76 -3.03 116.25 117.47 3g3s h VAL 116 Ca 0.29 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3g3s h VAL 116 Cb 0.00 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3g3s h VAL 116 CO -0.05 0.16 0.38 0.44 0.02 0.00 0.00 177.57 178.52 3g3s h ASP 117 N 0.02 0.58 0.00 0.57 3.32 -0.46 -2.35 116.42 118.10 3g3s h ASP 117 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3g3s h ASP 117 Cb 0.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3g3s h ASP 117 CO -0.00 0.41 0.00 0.47 -1.72 0.00 0.00 179.24 178.39 3g3s n ASP 118 N -4.46 0.00 -4.68 6.45 8.00 0.31 -4.76 116.55 117.41 3g3s n ASP 118 Ca 0.07 -0.57 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 3g3s n ASP 118 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3g3s n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3g3s s LEU 119 N -1.99 4.33 0.63 0.64 2.96 -0.89 -4.96 118.68 119.40 3g3s s LEU 119 Ca 0.27 2.29 -0.18 0.00 -0.22 0.00 0.00 54.13 56.29 3g3s s LEU 119 Cb 0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 3g3s s LEU 119 CO 0.21 -0.85 1.11 -2.65 -1.32 0.00 0.00 176.35 172.85 3g3s n PRO 120 N 6.06 0.98 0.26 0.98 -0.02 -1.26 -4.89 135.00 137.10 3g3s n PRO 120 Ca 0.16 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3g3s n PRO 120 Cb 0.42 -2.34 0.86 0.00 -0.02 0.00 0.00 33.50 32.42 3g3s n PRO 120 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g3s h GLU 121 N 0.46 0.00 0.00 -0.52 9.09 -1.95 -1.04 114.58 120.62 3g3s h GLU 121 Ca -0.50 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.89 3g3s h GLU 121 Cb 1.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.45 3g3s h GLU 121 CO 0.52 0.00 -0.11 0.66 0.05 0.00 0.00 179.01 180.13 3g3s h SER 122 N 0.00 0.00 -3.13 3.06 4.64 -1.97 -3.43 113.55 112.73 3g3s h SER 122 Ca 0.04 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.78 3g3s h SER 122 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 3g3s h SER 122 CO -0.00 0.11 -0.32 -0.36 -0.87 0.00 0.00 176.83 175.39 3g3s s PHE 123 N -4.65 3.48 0.30 4.77 0.08 -0.39 -4.61 117.98 116.95 3g3s s PHE 123 Ca -0.04 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.55 3g3s s PHE 123 Cb 0.15 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3g3s s PHE 123 CO 0.65 0.43 0.06 -0.25 -0.10 0.00 0.00 175.22 176.01 3g3s n ASP 124 N 0.00 1.82 0.00 1.36 8.00 -0.81 -4.87 116.55 122.06 3g3s n ASP 124 Ca -0.03 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.02 3g3s n ASP 124 Cb 0.52 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 3g3s n ASP 124 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g3s n LYS 126 N -0.70 0.00 -2.37 -1.24 5.02 0.07 0.18 118.16 119.12 3g3s n LYS 126 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 3g3s n LYS 126 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.40 3g3s n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g3s s LEU 127 N 0.00 3.99 -0.04 -0.35 1.43 -1.26 -0.54 118.68 121.91 3g3s s LEU 127 Ca 0.00 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 3g3s s LEU 127 Cb 0.00 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3g3s s LEU 127 CO 0.00 -0.83 1.33 -0.63 0.23 0.00 0.00 176.35 176.45 3g3s s ILE 128 N -1.66 3.97 0.01 -0.59 1.01 0.56 -4.82 121.20 119.68 3g3s s ILE 128 Ca 0.64 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.59 3g3s s ILE 128 Cb -0.25 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3g3s s ILE 128 CO 0.30 -0.02 0.00 -0.90 0.00 0.00 0.00 174.94 174.32 3g3s n ASP 129 N 5.57 1.77 -0.31 3.58 5.68 -1.26 -4.79 116.55 126.79 3g3s n ASP 129 Ca 0.13 -1.06 0.02 0.00 -0.50 0.00 0.00 54.79 53.37 3g3s n ASP 129 Cb 0.45 0.01 0.15 0.00 -1.14 0.00 0.00 41.12 40.59 3g3s n ASP 129 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3g3s h ARG 130 N 0.00 0.91 0.28 0.11 2.43 -1.95 -0.17 114.38 115.99 3g3s h ARG 130 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3g3s h ARG 130 Cb 0.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3g3s h ARG 130 CO 0.02 0.60 -0.14 -0.97 -1.51 0.00 0.00 179.97 177.97 3g3s h ASN 131 N 0.93 -0.32 0.00 -3.80 -0.73 -2.00 -3.16 115.58 106.51 3g3s h ASN 131 Ca 0.39 -0.13 -0.08 0.00 1.87 0.00 0.00 56.30 58.35 3g3s h ASN 131 Cb 0.23 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3g3s h ASN 131 CO -0.20 -0.06 -0.23 -0.07 -0.37 0.00 0.00 177.43 176.51 3g3s h LEU 132 N -0.59 0.37 -0.37 0.34 3.38 -1.90 -2.06 115.31 114.49 3g3s h LEU 132 Ca -0.04 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3g3s h LEU 132 Cb 0.43 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3g3s h LEU 132 CO 0.06 0.61 -0.28 0.22 0.09 0.00 0.00 178.44 179.14 3g3s h TYR 133 N 0.34 -0.76 -0.69 1.13 5.03 -1.04 0.56 116.97 121.54 3g3s h TYR 133 Ca 0.06 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 3g3s h TYR 133 Cb 0.59 0.39 -0.03 0.00 1.55 0.00 0.00 36.73 39.23 3g3s h TYR 133 CO 0.01 -0.35 0.27 0.93 -1.32 0.00 0.00 178.16 177.70 3g3s h GLU 134 N -0.23 1.02 -0.75 1.82 4.39 -1.35 -2.22 114.58 117.27 3g3s h GLU 134 Ca 0.17 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3g3s h GLU 134 Cb 0.51 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3g3s h GLU 134 CO -0.50 0.84 0.24 1.15 -1.16 0.00 0.00 179.01 179.58 3g3s h THR 135 N 1.00 1.26 -0.54 1.13 2.02 -0.95 -2.66 112.91 114.17 3g3s h THR 135 Ca 0.23 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3g3s h THR 135 Cb 0.21 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3g3s h THR 135 CO -0.02 0.36 0.14 0.00 0.37 0.00 0.00 175.52 176.37 3g3s h LEU 137 N 0.80 0.00 -0.66 0.00 3.38 -1.08 -2.65 115.31 115.09 3g3s h LEU 137 Ca 0.18 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3g3s h LEU 137 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3g3s h LEU 137 CO -0.00 0.18 -0.42 -0.37 0.09 0.00 0.00 178.44 177.92 3g3s h VAL 138 N 0.00 1.30 -2.75 1.22 -1.51 -1.39 -3.44 116.25 109.68 3g3s h VAL 138 Ca -0.00 -1.59 -0.66 0.00 -1.23 0.00 0.00 66.70 63.22 3g3s h VAL 138 Cb 0.48 1.57 -0.07 0.00 -2.13 0.00 0.00 31.29 31.14 3g3s h VAL 138 CO 0.02 0.50 -0.50 -1.61 -1.23 0.00 0.00 177.57 174.76 3g3s s GLU 139 N -4.22 3.39 0.37 5.19 0.41 -1.24 -4.99 118.70 117.61 3g3s s GLU 139 Ca -0.07 -0.21 0.06 0.00 -0.41 0.00 0.00 54.97 54.34 3g3s s GLU 139 Cb 0.12 -3.13 0.73 0.00 -1.78 0.00 0.00 34.13 30.07 3g3s s GLU 139 CO 0.82 0.74 1.95 1.49 -0.49 0.00 0.00 175.26 179.78 3g3s h GLU 140 N 4.69 0.49 -0.17 1.61 4.22 -1.88 -2.28 114.58 121.26 3g3s h GLU 140 Ca -0.53 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 58.78 3g3s h GLU 140 Cb 1.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3g3s h GLU 140 CO 0.60 0.45 -0.13 0.11 -2.18 0.00 0.00 179.01 177.87 3g3s h TRP 141 N 0.48 0.29 -0.01 0.92 5.08 -1.94 -3.17 115.95 117.60 3g3s h TRP 141 Ca 0.11 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.05 3g3s h TRP 141 Cb 0.19 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 3g3s h TRP 141 CO 0.01 0.41 -0.52 -1.13 -1.28 0.00 0.00 178.44 175.93 3g3s n SER 142 N -4.26 1.39 0.11 0.11 3.41 -1.03 -4.69 113.62 108.66 3g3s n SER 142 Ca -0.00 -1.20 0.04 0.00 -0.26 0.00 0.00 58.87 57.45 3g3s n SER 142 Cb 0.28 0.66 0.44 0.00 -0.26 0.00 0.00 64.21 65.33 3g3s n SER 142 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3g3s h ARG 143 N 1.25 0.27 0.00 4.33 0.11 -1.04 -1.00 114.38 118.31 3g3s h ARG 143 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3g3s h ARG 143 Cb 0.53 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3g3s h ARG 143 CO 0.00 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.13 3g3s n ASP 144 N -4.37 0.05 0.05 0.08 8.00 -1.26 0.37 116.55 119.48 3g3s n ASP 144 Ca -0.00 0.51 0.03 0.00 0.71 0.00 0.00 54.79 56.04 3g3s n ASP 144 Cb 0.19 -0.52 0.41 0.00 -0.02 0.00 0.00 41.12 41.18 3g3s n ASP 144 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3g3s h LEU 145 N 0.00 0.37 0.00 0.64 3.38 -1.52 -3.38 115.31 114.80 3g3s h LEU 145 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g3s h LEU 145 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3g3s h LEU 145 CO 0.00 0.37 -0.09 1.33 0.09 0.00 0.00 178.44 180.14 3g3s n VAL 146 N -4.39 0.00 0.31 1.22 0.24 -1.01 -4.05 118.33 110.64 3g3s n VAL 146 Ca 0.01 -0.07 0.08 0.00 -2.04 0.00 0.00 64.34 62.31 3g3s n VAL 146 Cb 0.15 0.67 0.34 0.00 -1.47 0.00 0.00 33.84 33.53 3g3s n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g3s n GLY 147 N 0.37 -0.95 0.07 7.63 0.00 0.16 -2.46 105.19 110.01 3g3s n GLY 147 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3g3s n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g3s n ASN 148 N -1.83 0.61 -4.84 1.61 3.02 -1.26 -4.36 115.26 108.22 3g3s n ASN 148 Ca 0.02 0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 54.67 3g3s n ASN 148 Cb 0.13 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.72 3g3s n ASN 148 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3g3s s TYR 149 N -3.09 3.37 0.34 3.10 1.51 -1.03 -4.66 117.35 116.90 3g3s s TYR 149 Ca 0.11 1.36 0.03 0.00 -1.01 0.00 0.00 57.07 57.56 3g3s s TYR 149 Cb 0.14 -2.65 0.62 0.00 -0.11 0.00 0.00 41.96 39.96 3g3s s TYR 149 CO 0.61 0.04 1.93 0.82 -1.11 0.00 0.00 175.55 177.84 3g3s h ILE 150 N 1.99 1.18 -2.70 2.71 1.08 -1.89 -3.47 117.51 116.42 3g3s h ILE 150 Ca -0.48 -0.58 0.10 0.00 -0.39 0.00 0.00 64.86 63.51 3g3s h ILE 150 Cb 1.18 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 3g3s h ILE 150 CO 0.64 0.22 0.45 1.51 -0.69 0.00 0.00 178.15 180.28 3g3s s ASP 151 N -6.64 -0.03 0.39 1.72 1.47 -1.26 -5.02 116.67 107.30 3g3s s ASP 151 Ca -0.09 -0.81 0.09 0.00 1.18 0.00 0.00 52.55 52.93 3g3s s ASP 151 Cb 0.16 0.63 0.86 0.00 -0.34 0.00 0.00 42.92 44.23 3g3s s ASP 151 CO 0.77 -1.24 1.95 1.62 0.68 0.00 0.00 175.17 178.94 3g3s h VAL 152 N 2.00 0.95 -0.04 2.11 3.04 -1.95 -1.15 116.25 121.20 3g3s h VAL 152 Ca -0.28 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3g3s h VAL 152 Cb 1.23 0.27 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3g3s h VAL 152 CO 0.36 0.11 0.01 -0.33 -1.01 0.00 0.00 177.57 176.71 3g3s h GLU 153 N 0.62 0.06 -0.52 4.17 4.39 -1.98 0.19 114.58 121.51 3g3s h GLU 153 Ca 0.32 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 3g3s h GLU 153 Cb 0.43 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3g3s h GLU 153 CO -0.11 0.26 0.21 0.37 -1.16 0.00 0.00 179.01 178.58 3g3s h GLN 154 N -0.14 0.79 -0.24 2.33 4.15 -1.85 -0.53 115.11 119.60 3g3s h GLN 154 Ca 0.01 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.30 3g3s h GLN 154 Cb 0.22 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3g3s h GLN 154 CO -0.00 0.69 0.15 0.35 -1.93 0.00 0.00 178.83 178.09 3g3s h PHE 155 N 0.71 0.28 -0.16 3.99 3.57 -0.95 0.18 116.94 124.56 3g3s h PHE 155 Ca 0.17 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3g3s h PHE 155 Cb 0.20 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3g3s h PHE 155 CO 0.01 0.17 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.96 3g3s h LEU 156 N 0.30 0.27 0.00 0.59 3.38 -0.52 0.55 115.31 119.89 3g3s h LEU 156 Ca 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g3s h LEU 156 Cb -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3g3s h LEU 156 CO -0.04 0.51 -0.00 -0.78 0.09 0.00 0.00 178.44 178.22 3g3s h ASP 157 N 0.26 -0.00 0.00 -0.43 3.58 -0.47 -3.40 116.42 115.95 3g3s h ASP 157 Ca 0.04 -0.65 -0.00 0.00 0.42 0.00 0.00 57.03 56.84 3g3s h ASP 157 Cb 0.55 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 3g3s h ASP 157 CO 0.04 0.65 -1.67 0.18 -2.88 0.00 0.00 179.24 175.56 3g3s n LEU 158 N -4.78 0.00 -5.03 2.28 4.77 0.59 -5.03 117.00 109.81 3g3s n LEU 158 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.70 3g3s n LEU 158 Cb 0.32 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3g3s n LEU 158 CO 0.34 0.00 0.32 -0.83 -1.33 0.00 0.00 177.39 175.89 3g3s s GLY 159 N -3.68 1.77 -0.27 -0.72 0.00 0.19 -4.76 107.32 99.85 3g3s s GLY 159 Ca -0.05 -2.02 -0.22 0.00 0.00 0.00 0.00 44.72 42.42 3g3s s GLY 159 CO 0.60 -1.61 0.73 -2.27 0.00 0.00 0.00 173.10 170.56 3g3s s LEU 160 N -4.64 -0.79 0.05 0.66 2.96 -1.26 -4.68 118.68 110.98 3g3s s LEU 160 Ca 0.61 1.43 -0.28 0.00 -0.22 0.00 0.00 54.13 55.67 3g3s s LEU 160 Cb -0.07 2.40 0.09 0.00 0.50 0.00 0.00 46.19 49.11 3g3s s LEU 160 CO 0.38 -0.24 0.99 -0.83 -1.32 0.00 0.00 176.35 175.34 3g3s s GLY 161 N 0.79 -0.34 0.04 7.98 0.00 -1.26 -0.44 107.32 114.08 3g3s s GLY 161 Ca -0.03 0.63 -0.07 0.00 0.00 0.00 0.00 44.72 45.25 3g3s s GLY 161 CO -0.06 0.18 0.13 0.00 0.00 0.00 0.00 173.10 173.35 3g3s s VAL 163 N -2.60 1.13 -0.14 0.00 -7.23 0.30 -0.66 120.40 111.20 3g3s s VAL 163 Ca -0.05 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3g3s s VAL 163 Cb -0.01 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3g3s s VAL 163 CO -0.04 -0.60 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.44 3g3s s ILE 164 N -2.71 3.53 0.09 -0.62 1.01 0.60 -0.75 121.20 122.34 3g3s s ILE 164 Ca 0.11 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.32 3g3s s ILE 164 Cb -0.01 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3g3s s ILE 164 CO 0.01 0.51 -0.05 -0.76 0.00 0.00 0.00 174.94 174.65 3g3s s LEU 165 N 0.27 3.25 -0.12 2.97 1.02 0.13 -0.99 118.68 125.21 3g3s s LEU 165 Ca -0.06 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 53.77 3g3s s LEU 165 Cb -0.15 -2.00 0.05 0.00 0.02 0.00 0.00 46.19 44.12 3g3s s LEU 165 CO 0.04 0.19 0.28 -2.28 0.02 0.00 0.00 176.35 174.60 3g3s s HIS 166 N -1.23 -0.39 -1.38 0.29 2.46 0.68 -1.93 115.29 113.79 3g3s s HIS 166 Ca 0.23 0.90 -0.07 0.00 0.47 0.00 0.00 55.06 56.59 3g3s s HIS 166 Cb -0.11 0.08 0.04 0.00 -0.13 0.00 0.00 32.58 32.46 3g3s s HIS 166 CO 0.15 -0.27 0.49 1.63 -2.47 0.00 0.00 174.74 174.27 3g3s n LYS 167 N 4.37 -3.86 -0.96 2.88 4.76 -1.26 -1.26 118.16 122.84 3g3s n LYS 167 Ca -0.23 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 3g3s n LYS 167 Cb 0.53 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.30 3g3s n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g3s n GLY 168 N -1.28 0.60 3.56 0.72 0.00 -1.26 -5.03 105.19 102.51 3g3s n GLY 168 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3g3s n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3s s GLN 169 N -0.29 2.31 -0.11 1.61 -0.21 -0.39 -5.08 119.66 117.52 3g3s s GLN 169 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.21 3g3s s GLN 169 Cb 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 3g3s s GLN 169 CO 0.00 0.56 1.29 0.08 -2.12 0.00 0.00 175.29 175.10 3g3s s VAL 170 N -1.06 4.15 -0.07 1.09 1.01 -1.26 -0.23 120.40 124.03 3g3s s VAL 170 Ca 0.18 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.61 3g3s s VAL 170 Cb -0.11 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3g3s s VAL 170 CO 0.09 -0.08 0.07 1.33 0.00 0.00 0.00 175.10 176.52 3g3s n VAL 171 N 5.08 0.00 -3.47 2.92 0.24 -0.16 -4.93 118.33 118.02 3g3s n VAL 171 Ca 0.13 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 3g3s n VAL 171 Cb 0.45 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3g3s n VAL 171 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g3s s SER 172 N -1.34 -0.47 -0.13 -1.34 0.15 -1.19 -0.56 113.70 108.82 3g3s s SER 172 Ca 0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 3g3s s SER 172 Cb 0.01 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.96 3g3s s SER 172 CO 0.07 -0.83 1.01 -0.83 1.20 0.00 0.00 173.24 173.86 3g3s s GLY 173 N -2.64 -0.30 -0.09 9.45 0.00 -0.04 -0.29 107.32 113.41 3g3s s GLY 173 Ca 0.03 1.81 -0.01 0.00 0.00 0.00 0.00 44.72 46.55 3g3s s GLY 173 CO -0.11 0.84 -0.04 0.00 0.00 0.00 0.00 173.10 173.79 3g3s s ALA 174 N -1.66 1.00 0.28 3.20 0.00 0.17 -0.94 121.76 123.81 3g3s s ALA 174 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 3g3s s ALA 174 Cb -0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3g3s s ALA 174 CO -0.02 -0.38 0.47 0.45 0.00 0.00 0.00 175.76 176.29 3g3s s SER 175 N 1.71 0.25 -0.46 0.00 0.15 0.48 -0.84 113.70 114.99 3g3s s SER 175 Ca 0.03 -1.15 -0.28 0.00 0.70 0.00 0.00 55.95 55.24 3g3s s SER 175 Cb -0.13 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3g3s s SER 175 CO -0.06 -1.21 1.08 -0.94 1.20 0.00 0.00 173.24 173.31 3g3s s SER 176 N -3.10 6.62 0.28 5.45 1.04 0.42 -0.72 113.70 123.69 3g3s s SER 176 Ca 0.26 0.42 0.05 0.00 0.48 0.00 0.00 55.95 57.15 3g3s s SER 176 Cb -0.00 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 64.00 3g3s s SER 176 CO 0.13 -1.17 1.68 0.22 0.98 0.00 0.00 173.24 175.08 3g3s h TYR 177 N 9.10 0.37 -3.40 5.02 3.20 -0.86 -3.43 116.97 126.97 3g3s h TYR 177 Ca -0.23 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 3g3s h TYR 177 Cb 1.06 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 3g3s h TYR 177 CO 0.94 0.67 -0.02 0.00 -1.64 0.00 0.00 178.16 178.11 3g3s s ALA 178 N -4.18 -0.75 0.02 1.82 0.00 -1.21 -4.68 121.76 112.77 3g3s s ALA 178 Ca -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3g3s s ALA 178 Cb 0.13 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 3g3s s ALA 178 CO 0.78 -0.81 -0.10 -1.12 0.00 0.00 0.00 175.76 174.52 3g3s s SER 179 N -2.91 1.10 0.38 0.00 0.01 -1.26 -0.58 113.70 110.44 3g3s s SER 179 Ca 0.12 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.07 3g3s s SER 179 Cb -0.01 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3g3s s SER 179 CO -0.00 -0.01 0.17 -0.72 0.41 0.00 0.00 173.24 173.08 3g3s s TYR 180 N -0.74 1.75 0.37 2.43 1.13 0.21 -4.68 117.35 117.82 3g3s s TYR 180 Ca -0.01 -1.39 0.15 0.00 -1.41 0.00 0.00 57.07 54.41 3g3s s TYR 180 Cb -0.06 -1.01 1.04 0.00 -1.10 0.00 0.00 41.96 40.82 3g3s s TYR 180 CO 0.00 -0.47 1.74 0.66 -2.51 0.00 0.00 175.55 174.97 3g3s h SER 181 N 1.92 0.53 -0.07 -0.18 4.64 -1.97 -2.53 113.55 115.89 3g3s h SER 181 Ca -0.32 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3g3s h SER 181 Cb 1.26 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3g3s h SER 181 CO 0.51 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 3g3s n ALA 182 N -2.40 2.12 0.00 5.18 0.00 -1.26 -5.08 120.51 119.06 3g3s n ALA 182 Ca 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3g3s n ALA 182 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3g3s n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3s n GLY 183 N -0.49 -0.91 3.18 0.00 0.00 -0.95 -0.39 105.19 105.63 3g3s n GLY 183 Ca 0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3g3s n GLY 183 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g3s s ILE 184 N -3.00 0.41 -0.23 -0.61 -4.36 -0.57 -0.62 121.20 112.23 3g3s s ILE 184 Ca 0.00 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.41 3g3s s ILE 184 Cb 0.00 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 3g3s s ILE 184 CO 0.00 -0.57 0.00 -0.70 0.24 0.00 0.00 174.94 173.91 3g3s s GLU 185 N -3.96 3.50 0.25 0.37 2.56 0.25 -0.74 118.70 120.94 3g3s s GLU 185 Ca 0.21 -0.56 -0.27 0.00 0.00 0.00 0.00 54.97 54.35 3g3s s GLU 185 Cb 0.07 -3.13 -0.09 0.00 2.00 0.00 0.00 34.13 32.98 3g3s s GLU 185 CO 0.01 -0.17 0.89 0.42 -0.56 0.00 0.00 175.26 175.84 3g3s s ILE 186 N 1.48 4.22 -0.10 -3.70 1.01 -0.09 -0.25 121.20 123.76 3g3s s ILE 186 Ca 0.06 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.59 3g3s s ILE 186 Cb -0.15 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.19 3g3s s ILE 186 CO -0.00 0.36 -0.17 -0.70 0.00 0.00 0.00 174.94 174.43 3g3s s GLU 187 N -1.52 2.37 -0.04 2.79 2.56 0.10 -4.73 118.70 120.22 3g3s s GLU 187 Ca 0.43 -0.63 0.05 0.00 0.00 0.00 0.00 54.97 54.83 3g3s s GLU 187 Cb -0.22 -1.93 -0.01 0.00 2.00 0.00 0.00 34.13 33.97 3g3s s GLU 187 CO 0.27 0.01 -0.20 0.08 -0.56 0.00 0.00 175.26 174.86 3g3s s VAL 188 N 0.78 1.68 -0.04 3.70 1.01 -1.26 -0.39 120.40 125.88 3g3s s VAL 188 Ca -0.11 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3g3s s VAL 188 Cb -0.16 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3g3s s VAL 188 CO 0.02 0.48 0.14 -1.81 0.00 0.00 0.00 175.10 173.93 3g3s s ASP 189 N -0.11 -0.10 -0.02 3.32 1.01 -0.11 -5.02 116.67 115.64 3g3s s ASP 189 Ca -0.02 0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.42 3g3s s ASP 189 Cb -0.12 0.28 -0.00 0.00 1.01 0.00 0.00 42.92 44.09 3g3s s ASP 189 CO 0.02 -0.14 -0.10 -0.89 0.21 0.00 0.00 175.17 174.27 3g3s s THR 190 N -0.35 0.85 0.34 -1.27 2.01 -1.26 -0.87 115.64 115.09 3g3s s THR 190 Ca -0.04 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 3g3s s THR 190 Cb -0.03 -0.73 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 3g3s s THR 190 CO 0.01 0.25 1.33 -0.60 -0.69 0.00 0.00 174.62 174.92 3g3s s ARG 191 N -0.01 4.30 0.26 4.92 3.52 0.28 -4.81 118.95 127.41 3g3s s ARG 191 Ca -0.00 2.26 -0.03 0.00 -0.13 0.00 0.00 55.73 57.83 3g3s s ARG 191 Cb -0.07 -3.04 0.54 0.00 -1.56 0.00 0.00 34.95 30.82 3g3s s ARG 191 CO 0.00 -0.25 1.66 1.05 -0.81 0.00 0.00 175.30 176.95 3g3s h GLU 192 N 3.29 0.20 0.00 5.12 4.11 -1.99 0.14 114.58 125.44 3g3s h GLU 192 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3g3s h GLU 192 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3g3s h GLU 192 CO 0.65 0.13 0.00 -0.40 0.07 0.00 0.00 179.01 179.46 3g3s n ASP 193 N -5.23 0.15 -0.44 3.06 5.75 -1.26 -2.39 116.55 116.18 3g3s n ASP 193 Ca 0.16 0.54 0.04 0.00 -0.01 0.00 0.00 54.79 55.52 3g3s n ASP 193 Cb 0.54 -0.57 0.10 0.00 -1.03 0.00 0.00 41.12 40.16 3g3s n ASP 193 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3g3s n TYR 194 N -1.66 0.31 -1.41 2.11 4.02 0.45 -5.04 117.16 115.93 3g3s n TYR 194 Ca 0.03 -0.47 -0.31 0.00 -0.01 0.00 0.00 57.90 57.13 3g3s n TYR 194 Cb 0.17 -0.03 0.07 0.00 -0.02 0.00 0.00 39.34 39.53 3g3s n TYR 194 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3g3s s ARG 195 N -0.98 2.52 -0.70 -0.72 0.52 -1.01 -3.81 118.95 114.78 3g3s s ARG 195 Ca 0.16 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 3g3s s ARG 195 Cb 0.08 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3g3s s ARG 195 CO 0.11 -1.43 0.00 0.41 0.02 0.00 0.00 175.30 174.41 3g3s n GLY 196 N -1.35 0.83 0.18 -3.53 0.00 -1.26 -4.92 105.19 95.14 3g3s n GLY 196 Ca 0.09 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.38 3g3s n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3s n LEU 197 N -0.77 1.93 -0.24 0.99 4.77 -1.25 -4.99 117.00 117.44 3g3s n LEU 197 Ca -0.07 -1.64 -0.03 0.00 -0.03 0.00 0.00 56.01 54.24 3g3s n LEU 197 Cb 0.24 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3g3s n LEU 197 CO 0.10 0.47 -0.03 0.61 -1.33 0.00 0.00 177.39 177.21 3g3s n GLY 198 N -0.05 0.63 0.20 -0.72 0.00 -1.26 -4.94 105.19 99.06 3g3s n GLY 198 Ca 0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3g3s n GLY 198 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3s h LEU 199 N 0.00 0.71 -0.69 0.99 3.38 -1.94 -2.91 115.31 114.85 3g3s h LEU 199 Ca -0.06 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.55 3g3s h LEU 199 Cb 0.26 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3g3s h LEU 199 CO 0.09 1.02 0.31 0.00 0.09 0.00 0.00 178.44 179.95 3g3s h ALA 200 N 0.71 0.94 -0.71 1.53 0.00 -1.92 -1.51 119.26 118.30 3g3s h ALA 200 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3g3s h ALA 200 Cb 0.81 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3g3s h ALA 200 CO 0.06 -0.12 0.30 -0.22 0.00 0.00 0.00 179.25 179.27 3g3s h LYS 201 N 0.51 1.05 -0.23 0.00 3.64 -1.98 0.11 116.57 119.68 3g3s h LYS 201 Ca 0.35 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3g3s h LYS 201 Cb 0.43 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3g3s h LYS 201 CO -0.31 0.86 -0.07 0.00 -2.27 0.00 0.00 179.45 177.66 3g3s h ALA 202 N 1.14 0.31 -0.31 5.00 0.00 -1.21 -0.11 119.26 124.09 3g3s h ALA 202 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3g3s h ALA 202 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g3s h ALA 202 CO -0.02 0.12 0.12 0.00 0.00 0.00 0.00 179.25 179.47 3g3s h ALA 204 N 0.96 0.59 -0.33 0.00 0.00 -0.77 0.72 119.26 120.43 3g3s h ALA 204 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3g3s h ALA 204 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3g3s h ALA 204 CO -0.01 0.10 0.17 0.00 0.00 0.00 0.00 179.25 179.51 3g3s h ALA 205 N 1.12 0.41 -0.39 0.00 0.00 -0.90 -0.83 119.26 118.66 3g3s h ALA 205 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g3s h ALA 205 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3g3s h ALA 205 CO -0.03 -0.21 0.25 0.37 0.00 0.00 0.00 179.25 179.63 3g3s h GLN 206 N 0.35 0.52 -0.31 0.00 5.75 -0.75 -1.34 115.11 119.33 3g3s h GLN 206 Ca 0.14 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 3g3s h GLN 206 Cb 0.04 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3g3s h GLN 206 CO -0.09 0.37 0.19 1.25 -2.65 0.00 0.00 178.83 177.89 3g3s h LEU 207 N 0.52 0.31 -0.08 -2.39 5.85 -0.50 0.47 115.31 119.50 3g3s h LEU 207 Ca 0.14 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3g3s h LEU 207 Cb -0.03 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3g3s h LEU 207 CO -0.03 0.23 -0.14 0.40 -0.34 0.00 0.00 178.44 178.56 3g3s h ILE 208 N 0.38 0.63 -0.93 4.05 2.04 -0.94 0.13 117.51 122.88 3g3s h ILE 208 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 3g3s h ILE 208 Cb -0.01 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 3g3s h ILE 208 CO -0.05 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.62 3g3s h LEU 209 N -0.20 0.94 -0.74 1.44 3.38 -0.99 0.52 115.31 119.66 3g3s h LEU 209 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3g3s h LEU 209 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3g3s h LEU 209 CO -0.19 0.60 0.38 0.00 0.09 0.00 0.00 178.44 179.31 3g3s h ALA 210 N 1.43 0.96 0.38 1.53 0.00 -0.10 -1.01 119.26 122.45 3g3s h ALA 210 Ca 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3g3s h ALA 210 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3g3s h ALA 210 CO -0.17 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 3g3s h LEU 212 N -0.69 0.69 -1.70 0.00 3.38 -0.89 0.18 115.31 116.28 3g3s h LEU 212 Ca -0.05 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3g3s h LEU 212 Cb 0.49 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3g3s h LEU 212 CO 0.09 0.39 0.30 -0.78 0.09 0.00 0.00 178.44 178.52 3g3s h ASP 213 N 0.80 0.32 -0.40 -0.43 3.58 -1.12 -1.40 116.42 117.77 3g3s h ASP 213 Ca 0.40 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3g3s h ASP 213 Cb 0.37 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3g3s h ASP 213 CO -0.25 0.21 0.00 0.54 -2.88 0.00 0.00 179.24 176.86 3g3s n ARG 214 N -4.48 2.32 -1.14 0.28 1.74 -0.12 -4.95 116.66 110.32 3g3s n ARG 214 Ca 0.06 -2.01 -0.05 0.00 -0.77 0.00 0.00 57.85 55.08 3g3s n ARG 214 Cb 0.24 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 3g3s n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3s n GLY 215 N 1.42 0.74 3.87 -0.13 0.00 -0.53 -5.03 105.19 105.52 3g3s n GLY 215 Ca 0.19 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3g3s n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3s s LEU 216 N -1.07 4.40 -0.20 0.99 1.43 -0.19 -4.89 118.68 119.15 3g3s s LEU 216 Ca 0.00 0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 3g3s s LEU 216 Cb 0.00 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 3g3s s LEU 216 CO 0.00 0.28 0.75 -0.47 0.23 0.00 0.00 176.35 177.14 3g3s s TYR 217 N -1.22 3.38 -0.62 0.29 5.04 0.48 -3.65 117.35 121.05 3g3s s TYR 217 Ca 0.26 1.09 -0.23 0.00 -2.44 0.00 0.00 57.07 55.75 3g3s s TYR 217 Cb -0.14 -2.93 0.06 0.00 0.35 0.00 0.00 41.96 39.30 3g3s s TYR 217 CO 0.14 -0.25 0.94 -1.25 -1.34 0.00 0.00 175.55 173.79 3g3s s PRO 218 N 2.21 3.18 0.31 4.97 0.04 -1.26 -1.52 135.00 142.93 3g3s s PRO 218 Ca 0.33 -0.64 -0.21 0.00 0.04 0.00 0.00 61.00 60.52 3g3s s PRO 218 Cb -0.16 -4.16 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 3g3s s PRO 218 CO 0.10 -1.68 0.84 0.45 0.04 0.00 0.00 177.00 176.75 3g3s s SER 219 N 3.35 7.07 -0.08 6.66 0.15 0.08 -4.94 113.70 125.99 3g3s s SER 219 Ca 0.25 1.57 0.02 0.00 0.70 0.00 0.00 55.95 58.49 3g3s s SER 219 Cb -0.15 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 3g3s s SER 219 CO 0.13 -0.12 -0.15 0.86 1.20 0.00 0.00 173.24 175.17 3g3s s TRP 220 N -1.76 1.72 -0.22 3.44 -0.11 -1.26 -0.92 118.94 119.83 3g3s s TRP 220 Ca 0.51 -0.68 -0.01 0.00 1.22 0.00 0.00 56.10 57.13 3g3s s TRP 220 Cb -0.15 -1.23 0.06 0.00 -1.50 0.00 0.00 33.47 30.66 3g3s s TRP 220 CO 0.20 -0.33 0.01 0.34 -4.62 0.00 0.00 176.95 172.55 3g3s s ASP 221 N 0.68 3.33 -0.11 5.86 2.15 -1.26 -3.74 116.67 123.58 3g3s s ASP 221 Ca -0.14 -1.03 -0.30 0.00 0.43 0.00 0.00 52.55 51.52 3g3s s ASP 221 Cb -0.16 -0.81 -0.02 0.00 -0.30 0.00 0.00 42.92 41.63 3g3s s ASP 221 CO 0.04 -0.30 1.17 0.00 -0.17 0.00 0.00 175.17 175.91 3g3s s ALA 222 N 1.68 3.55 0.04 3.66 0.00 0.16 -4.92 121.76 125.93 3g3s s ALA 222 Ca -0.01 0.50 0.21 0.00 0.00 0.00 0.00 51.96 52.65 3g3s s ALA 222 Cb -0.18 -3.54 0.64 0.00 0.00 0.00 0.00 23.12 20.04 3g3s s ALA 222 CO -0.09 -0.88 1.70 1.25 0.00 0.00 0.00 175.76 177.74 3g3s h HIS 223 N 7.61 0.00 -3.99 0.00 2.76 -1.92 -0.36 115.15 119.25 3g3s h HIS 223 Ca -0.30 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.75 3g3s h HIS 223 Cb 1.13 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.96 3g3s h HIS 223 CO 0.75 0.31 -0.37 0.95 -1.30 0.00 0.00 177.93 178.27 3g3s s THR 224 N -3.45 0.06 0.31 6.26 -4.23 -1.26 -4.61 115.64 108.72 3g3s s THR 224 Ca 0.02 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3g3s s THR 224 Cb 0.09 -1.92 0.28 0.00 1.34 0.00 0.00 72.50 72.29 3g3s s THR 224 CO 0.67 -0.29 1.93 -0.07 -0.54 0.00 0.00 174.62 176.32 3g3s h LEU 225 N 2.58 0.88 -0.73 4.79 3.38 -1.89 -0.52 115.31 123.81 3g3s h LEU 225 Ca -0.32 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3g3s h LEU 225 Cb 1.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3g3s h LEU 225 CO 0.49 0.59 0.48 0.74 0.09 0.00 0.00 178.44 180.83 3g3s h THR 226 N 1.01 1.19 -0.33 0.22 2.02 -1.99 0.77 112.91 115.80 3g3s h THR 226 Ca 0.36 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3g3s h THR 226 Cb 0.12 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3g3s h THR 226 CO -0.12 0.18 -0.13 -1.28 0.37 0.00 0.00 175.52 174.54 3g3s h SER 227 N 0.99 0.56 -0.23 4.18 0.87 -1.69 -2.28 113.55 115.95 3g3s h SER 227 Ca 0.27 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3g3s h SER 227 Cb -0.11 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3g3s h SER 227 CO -0.06 0.72 0.05 0.25 -0.53 0.00 0.00 176.83 177.26 3g3s h LEU 228 N 0.53 0.35 -1.45 2.23 5.85 -0.10 -1.41 115.31 121.30 3g3s h LEU 228 Ca 0.09 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3g3s h LEU 228 Cb 0.54 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3g3s h LEU 228 CO 0.03 0.50 0.36 0.11 -0.34 0.00 0.00 178.44 179.10 3g3s h LYS 229 N 0.18 0.72 0.08 1.25 6.56 -0.67 0.91 116.57 125.60 3g3s h LYS 229 Ca 0.07 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3g3s h LYS 229 Cb 0.29 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3g3s h LYS 229 CO 0.00 0.48 -0.04 1.25 -2.06 0.00 0.00 179.45 179.09 3g3s h LEU 230 N 0.74 -0.09 -0.96 2.94 5.85 -1.23 -2.44 115.31 120.13 3g3s h LEU 230 Ca 0.20 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3g3s h LEU 230 Cb -0.08 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3g3s h LEU 230 CO -0.04 0.13 0.59 0.00 -0.34 0.00 0.00 178.44 178.77 3g3s h ALA 231 N 0.60 1.44 -0.66 1.25 0.00 -0.22 -0.39 119.26 121.28 3g3s h ALA 231 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3g3s h ALA 231 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3g3s h ALA 231 CO 0.02 0.17 0.27 0.93 0.00 0.00 0.00 179.25 180.64 3g3s h GLU 232 N 0.92 0.96 -0.17 0.00 5.08 -0.71 -0.52 114.58 120.13 3g3s h GLU 232 Ca 0.48 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3g3s h GLU 232 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3g3s h GLU 232 CO -0.27 0.77 -0.15 0.87 -1.00 0.00 0.00 179.01 179.23 3g3s h LYS 233 N 0.94 0.27 -0.00 2.33 6.56 -0.62 -2.39 116.57 123.66 3g3s h LYS 233 Ca 0.22 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 3g3s h LYS 233 Cb 0.16 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3g3s h LYS 233 CO -0.02 0.43 -0.14 1.28 -2.06 0.00 0.00 179.45 178.93 3g3s n LEU 234 N -4.24 0.32 0.00 2.94 4.77 -0.39 -4.92 117.00 115.47 3g3s n LEU 234 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3g3s n LEU 234 Cb 0.29 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g3s n LEU 234 CO 0.38 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3g3s n GLY 235 N 1.38 1.16 3.80 -0.72 0.00 -0.59 -4.77 105.19 105.45 3g3s n GLY 235 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3g3s n GLY 235 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3s s TYR 236 N -2.00 2.90 -0.06 1.61 2.02 -0.34 -4.61 117.35 116.86 3g3s s TYR 236 Ca 0.00 1.51 0.06 0.00 -0.37 0.00 0.00 57.07 58.26 3g3s s TYR 236 Cb 0.00 -3.03 -0.01 0.00 -0.40 0.00 0.00 41.96 38.53 3g3s s TYR 236 CO 0.00 -1.31 -0.23 -1.21 -1.57 0.00 0.00 175.55 171.23 3g3s s GLU 237 N -4.29 2.44 0.32 -0.62 2.02 -1.26 -4.01 118.70 113.30 3g3s s GLU 237 Ca 0.63 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 3g3s s GLU 237 Cb -0.17 -2.05 -0.12 0.00 0.10 0.00 0.00 34.13 31.90 3g3s s GLU 237 CO 0.42 0.33 1.56 -0.11 0.02 0.00 0.00 175.26 177.48 3g3s n LEU 238 N 3.05 4.44 0.00 1.80 7.94 -1.26 -0.47 117.00 132.50 3g3s n LEU 238 Ca -0.18 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3g3s n LEU 238 Cb 0.52 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.88 3g3s n LEU 238 CO 0.26 0.13 0.00 -0.67 -1.11 0.00 0.00 177.39 176.00 3g3s n ASP 239 N 1.68 0.00 -3.48 1.96 2.03 0.18 -4.55 116.55 114.36 3g3s n ASP 239 Ca 0.07 0.09 -0.13 0.00 0.52 0.00 0.00 54.79 55.34 3g3s n ASP 239 Cb 0.37 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 3g3s n ASP 239 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3g3s s LYS 240 N -0.88 1.04 0.38 -0.67 -2.85 -1.18 -5.00 119.74 110.58 3g3s s LYS 240 Ca 0.00 -0.16 -0.25 0.00 -1.00 0.00 0.00 55.97 54.56 3g3s s LYS 240 Cb 0.00 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 3g3s s LYS 240 CO 0.00 -0.41 1.06 0.00 0.10 0.00 0.00 175.35 176.10 3g3s s ALA 241 N -2.60 3.14 0.05 0.59 0.00 -1.26 -1.05 121.76 120.62 3g3s s ALA 241 Ca -0.02 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3g3s s ALA 241 Cb -0.01 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3g3s s ALA 241 CO -0.04 -0.22 0.05 1.52 0.00 0.00 0.00 175.76 177.07 3g3s s TYR 242 N -1.56 0.32 0.22 0.00 -0.85 0.11 -4.91 117.35 110.67 3g3s s TYR 242 Ca 0.55 -0.72 -0.30 0.00 -0.52 0.00 0.00 57.07 56.09 3g3s s TYR 242 Cb -0.24 -0.23 -0.08 0.00 0.38 0.00 0.00 41.96 41.79 3g3s s TYR 242 CO 0.30 -0.37 1.07 -0.65 -1.52 0.00 0.00 175.55 174.38 3g3s s GLN 243 N -3.07 4.66 0.06 -3.49 -0.21 -1.26 -1.38 119.66 114.96 3g3s s GLN 243 Ca -0.01 1.70 -0.05 0.00 0.02 0.00 0.00 55.36 57.01 3g3s s GLN 243 Cb 0.02 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 3g3s s GLN 243 CO -0.07 0.21 0.09 0.00 -2.12 0.00 0.00 175.29 173.39 3g3s s ALA 244 N -0.71 0.05 0.04 6.09 0.00 -0.16 -4.24 121.76 122.84 3g3s s ALA 244 Ca 0.46 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3g3s s ALA 244 Cb -0.29 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3g3s s ALA 244 CO 0.36 -0.39 -0.06 0.71 0.00 0.00 0.00 175.76 176.38 3g3s s TYR 245 N -3.35 0.56 0.14 0.00 1.51 -0.39 -0.98 117.35 114.84 3g3s s TYR 245 Ca 0.01 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3g3s s TYR 245 Cb 0.03 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 3g3s s TYR 245 CO -0.08 -0.11 -0.10 -1.21 -1.11 0.00 0.00 175.55 172.94 3g3s s GLU 246 N -1.51 1.04 0.34 -0.62 2.02 -0.65 -0.07 118.70 119.25 3g3s s GLU 246 Ca -0.11 -1.44 -0.27 0.00 0.02 0.00 0.00 54.97 53.17 3g3s s GLU 246 Cb -0.10 -0.59 -0.09 0.00 0.10 0.00 0.00 34.13 33.45 3g3s s GLU 246 CO 0.00 0.07 1.08 -1.58 0.02 0.00 0.00 175.26 174.84 3g3s s TRP 247 N -3.35 3.41 -1.45 1.61 0.23 -1.26 0.28 118.94 118.41 3g3s s TRP 247 Ca 0.16 1.67 0.12 0.00 -2.03 0.00 0.00 56.10 56.02 3g3s s TRP 247 Cb 0.03 -3.21 0.09 0.00 0.03 0.00 0.00 33.47 30.41 3g3s s TRP 247 CO 0.00 -0.61 0.87 0.54 0.96 0.00 0.00 176.95 178.71