#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 6.59 0.32 1.61 0.15 -1.26 -4.98 113.70 116.12 1vdy s SER 2 Ca 0.00 2.79 -0.27 0.00 0.70 0.00 0.00 55.95 59.17 1vdy s SER 2 Cb 0.00 -2.64 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 1vdy s SER 2 CO 0.00 -0.72 0.95 -0.44 1.20 0.00 0.00 173.24 174.24 1vdy s SER 3 N 0.03 7.35 0.49 5.45 0.01 -1.26 -5.06 113.70 120.70 1vdy s SER 3 Ca 0.55 1.87 -0.00 0.00 1.31 0.00 0.00 55.95 59.68 1vdy s SER 3 Cb -0.43 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.22 1vdy s SER 3 CO 0.51 -0.06 0.72 -0.83 0.41 0.00 0.00 173.24 173.99 1vdy s GLY 4 N -1.54 1.62 0.00 3.44 0.00 -1.26 -5.09 107.32 104.48 1vdy s GLY 4 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1vdy s GLY 4 CO 0.25 -0.85 0.16 -1.14 0.00 0.00 0.00 173.10 171.52 1vdy n SER 5 N -2.19 0.00 -4.90 1.64 3.41 -1.26 -4.94 113.62 105.37 1vdy n SER 5 Ca 0.03 0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.51 1vdy n SER 5 Cb 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1vdy n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vdy s SER 6 N -1.81 6.11 -0.23 4.04 1.04 -1.26 -4.69 113.70 116.90 1vdy s SER 6 Ca 0.00 1.00 -0.00 0.00 0.48 0.00 0.00 55.95 57.43 1vdy s SER 6 Cb 0.00 -2.19 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 1vdy s SER 6 CO 0.00 -0.76 0.19 0.61 0.98 0.00 0.00 173.24 174.27 1vdy n GLY 7 N -2.45 0.29 0.20 7.32 0.00 -1.26 -4.95 105.19 104.33 1vdy n GLY 7 Ca 0.03 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1vdy n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1vdy h GLU 8 N -0.37 0.00 -0.38 1.61 4.11 -1.93 -2.47 114.58 115.16 1vdy h GLU 8 Ca -0.11 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.36 1vdy h GLU 8 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1vdy h GLU 8 CO 0.10 0.00 0.25 0.66 0.07 0.00 0.00 179.01 180.09 1vdy h SER 9 N 0.00 0.30 -0.97 3.06 4.64 -2.00 -3.25 113.55 115.32 1vdy h SER 9 Ca 0.00 -0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.49 1vdy h SER 9 Cb 0.02 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 61.87 1vdy h SER 9 CO 0.00 0.20 -0.30 0.22 -0.87 0.00 0.00 176.83 176.08 1vdy h TYR 10 N 0.34 -0.75 -0.26 4.77 5.03 -1.84 -0.65 116.97 123.61 1vdy h TYR 10 Ca 0.16 0.09 0.06 0.00 2.58 0.00 0.00 58.73 61.62 1vdy h TYR 10 Cb 0.20 0.48 -0.06 0.00 1.55 0.00 0.00 36.73 38.90 1vdy h TYR 10 CO -0.00 -0.41 -0.15 2.35 -1.32 0.00 0.00 178.16 178.63 1vdy h TRP 11 N -0.01 -0.36 0.03 -3.82 -0.00 -1.83 -0.19 115.95 109.77 1vdy h TRP 11 Ca 0.41 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.33 1vdy h TRP 11 Cb 0.66 0.20 0.00 0.00 -0.00 0.00 0.00 29.16 30.02 1vdy h TRP 11 CO -0.80 -0.22 -0.02 0.00 -0.00 0.00 0.00 178.44 177.41 1vdy h ARG 12 N -0.12 -0.04 -0.62 2.65 3.08 -1.41 -3.25 114.38 114.67 1vdy h ARG 12 Ca 0.14 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.26 1vdy h ARG 12 Cb 0.33 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1vdy h ARG 12 CO -0.34 0.41 0.32 0.66 -1.07 0.00 0.00 179.97 179.94 1vdy h SER 13 N -0.51 0.44 -0.52 7.04 4.64 -1.09 -3.00 113.55 120.54 1vdy h SER 13 Ca -0.00 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1vdy h SER 13 Cb 0.47 -0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 1vdy h SER 13 CO 0.01 0.28 -0.32 0.03 -0.87 0.00 0.00 176.83 175.96 1vdy h ARG 14 N 0.58 -0.18 0.14 4.77 2.47 -1.07 0.13 114.38 121.23 1vdy h ARG 14 Ca 0.29 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1vdy h ARG 14 Cb 0.23 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1vdy h ARG 14 CO -0.21 -0.12 -0.21 0.52 0.56 0.00 0.00 179.97 180.52 1vdy h MET 15 N -0.19 -0.40 -0.09 0.04 2.86 -1.57 -0.90 114.93 114.68 1vdy h MET 15 Ca 0.21 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1vdy h MET 15 Cb 0.54 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1vdy h MET 15 CO -0.63 -0.27 -0.06 0.82 1.06 0.00 0.00 176.91 177.84 1vdy h ILE 16 N -0.41 0.82 -0.61 -1.22 1.08 -1.48 -2.02 117.51 113.67 1vdy h ILE 16 Ca 0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 1vdy h ILE 16 Cb 0.42 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1vdy h ILE 16 CO -0.09 0.00 0.41 -0.78 -0.69 0.00 0.00 178.15 176.99 1vdy h ASP 17 N -0.06 0.53 -0.01 1.72 3.58 -0.78 -1.23 116.42 120.17 1vdy h ASP 17 Ca 0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1vdy h ASP 17 Cb 0.14 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1vdy h ASP 17 CO -0.13 0.35 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 1vdy h ALA 18 N 1.66 0.01 0.00 -0.78 0.00 -0.45 0.73 119.26 120.44 1vdy h ALA 18 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vdy h ALA 18 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vdy h ALA 18 CO -0.08 -0.34 0.00 1.33 0.00 0.00 0.00 179.25 180.17 1vdy n VAL 19 N -4.94 0.03 -2.00 0.00 0.24 -0.94 -2.88 118.33 107.85 1vdy n VAL 19 Ca -0.08 0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.27 1vdy n VAL 19 Cb 0.17 -0.58 0.07 0.00 -1.47 0.00 0.00 33.84 32.02 1vdy n VAL 19 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vdy n THR 20 N -1.05 0.69 -1.69 3.34 -2.24 -0.51 -4.58 114.28 108.23 1vdy n THR 20 Ca 0.19 -1.34 -0.37 0.00 -2.27 0.00 0.00 64.05 60.26 1vdy n THR 20 Cb 0.11 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1vdy n THR 20 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vdy n SER 21 N -0.21 1.62 0.21 3.42 2.88 0.23 -4.69 113.62 117.08 1vdy n SER 21 Ca 0.08 0.83 0.15 0.00 -1.33 0.00 0.00 58.87 58.60 1vdy n SER 21 Cb 0.87 -1.49 0.70 0.00 -0.75 0.00 0.00 64.21 63.53 1vdy n SER 21 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1vdy h ASP 22 N 0.60 0.00 -4.02 -3.46 3.04 -1.93 -3.43 116.42 107.22 1vdy h ASP 22 Ca -0.50 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 52.75 1vdy h ASP 22 Cb 1.35 0.00 0.12 0.00 -1.04 0.00 0.00 39.33 39.76 1vdy h ASP 22 CO 0.53 0.00 0.64 -1.83 -2.04 0.00 0.00 179.24 176.53 1vdy s GLU 23 N -3.61 3.43 0.55 4.15 -1.05 -1.26 -4.81 118.70 116.10 1vdy s GLU 23 Ca -0.00 2.28 0.34 0.00 -0.15 0.00 0.00 54.97 57.43 1vdy s GLU 23 Cb 0.09 -2.45 1.41 0.00 -0.44 0.00 0.00 34.13 32.74 1vdy s GLU 23 CO 0.36 -0.97 2.00 0.22 0.95 0.00 0.00 175.26 177.81 1vdy h ASP 24 N 1.89 0.00 -1.25 0.83 1.82 -2.00 -3.44 116.42 114.27 1vdy h ASP 24 Ca -0.51 0.00 -0.69 0.00 -0.39 0.00 0.00 57.03 55.44 1vdy h ASP 24 Cb 1.28 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1vdy h ASP 24 CO 0.59 0.01 1.23 1.17 -1.61 0.00 0.00 179.24 180.64 1vdy n LYS 25 N -3.11 1.14 -1.76 0.28 0.00 -1.26 -4.88 118.16 108.57 1vdy n LYS 25 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 58.31 58.26 1vdy n LYS 25 Cb 0.30 -2.31 -0.00 0.00 0.00 0.00 0.00 35.03 33.01 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vdy n VAL 26 N 6.19 2.02 -1.76 3.15 3.14 -1.26 -4.90 118.33 124.91 1vdy n VAL 26 Ca 0.36 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.82 1vdy n VAL 26 Cb 0.19 -1.88 -0.03 0.00 -1.06 0.00 0.00 33.84 31.06 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy s ALA 27 N -1.11 3.86 0.57 1.55 0.00 -1.26 -4.95 121.76 120.42 1vdy s ALA 27 Ca 0.54 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.83 1vdy s ALA 27 Cb -0.50 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1vdy s ALA 27 CO 0.63 -0.99 1.12 -1.25 0.00 0.00 0.00 175.76 175.27 1vdy s PRO 28 N 1.63 3.22 0.22 0.00 0.04 -1.26 -4.92 135.00 133.93 1vdy s PRO 28 Ca 0.76 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1vdy s PRO 28 Cb -0.48 -2.00 0.34 0.00 0.04 0.00 0.00 34.50 32.41 1vdy s PRO 28 CO 0.33 -0.94 1.71 0.28 0.04 0.00 0.00 177.00 178.42 1vdy h VAL 29 N 0.86 0.62 -0.61 -0.36 2.07 -2.00 -1.18 116.25 115.66 1vdy h VAL 29 Ca -0.49 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.02 1vdy h VAL 29 Cb 1.25 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1vdy h VAL 29 CO 0.56 0.05 0.41 0.10 0.02 0.00 0.00 177.57 178.71 1vdy h TYR 30 N 0.28 0.50 0.00 1.57 -0.00 -2.00 0.02 116.97 117.34 1vdy h TYR 30 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.08 1vdy h TYR 30 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.09 1vdy h TYR 30 CO -0.24 0.25 0.00 0.87 -0.00 0.00 0.00 178.16 179.04 1vdy h LYS 31 N 0.48 0.00 0.02 0.10 1.57 -1.58 -2.85 116.57 114.30 1vdy h LYS 31 Ca 0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1vdy h LYS 31 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1vdy h LYS 31 CO -0.08 0.00 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.46 1vdy h LEU 32 N 0.00 0.07 -1.12 2.94 3.38 -0.93 -3.36 115.31 116.29 1vdy h LEU 32 Ca 0.00 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.00 1vdy h LEU 32 Cb 0.85 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1vdy h LEU 32 CO 0.00 1.12 0.33 -0.33 0.09 0.00 0.00 178.44 179.64 1vdy h GLU 33 N -0.90 0.94 -0.99 1.13 5.08 -1.31 -2.77 114.58 115.76 1vdy h GLU 33 Ca -0.06 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1vdy h GLU 33 Cb 1.13 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1vdy h GLU 33 CO 0.00 0.72 0.64 1.05 -1.00 0.00 0.00 179.01 180.42 1vdy h GLU 34 N 0.94 1.15 0.46 2.33 4.11 -1.66 -1.60 114.58 120.30 1vdy h GLU 34 Ca 0.23 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.57 1vdy h GLU 34 Cb 0.09 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1vdy h GLU 34 CO -0.03 0.76 -0.22 0.82 0.07 0.00 0.00 179.01 180.40 1vdy h ILE 35 N 1.18 0.55 -0.27 -1.06 2.04 -1.63 -1.51 117.51 116.80 1vdy h ILE 35 Ca 0.42 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.31 1vdy h ILE 35 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1vdy h ILE 35 CO -0.16 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.07 1vdy h ASP 37 N 0.20 0.95 -0.22 0.00 3.32 -1.23 -2.34 116.42 117.10 1vdy h ASP 37 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1vdy h ASP 37 Cb 0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1vdy h ASP 37 CO -0.13 0.71 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.95 1vdy h LEU 38 N 1.11 0.44 -1.06 1.55 3.38 -0.95 -2.99 115.31 116.79 1vdy h LEU 38 Ca 0.30 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1vdy h LEU 38 Cb -0.10 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 1vdy h LEU 38 CO -0.06 0.73 0.61 -0.07 0.09 0.00 0.00 178.44 179.75 1vdy h LEU 39 N 0.15 0.75 -0.39 1.67 3.38 -0.45 -0.18 115.31 120.24 1vdy h LEU 39 Ca 0.05 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1vdy h LEU 39 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1vdy h LEU 39 CO 0.03 0.26 -0.10 0.03 0.09 0.00 0.00 178.44 178.75 1vdy h ARG 40 N 0.73 0.75 0.00 1.13 2.47 -1.35 -2.61 114.38 115.49 1vdy h ARG 40 Ca 0.57 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1vdy h ARG 40 Cb 0.94 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1vdy h ARG 40 CO -0.36 0.89 0.00 0.45 0.56 0.00 0.00 179.97 181.51 1vdy n SER 41 N -4.35 0.00 -4.93 7.04 2.88 -0.28 -4.87 113.62 109.10 1vdy n SER 41 Ca -0.01 -0.77 -0.20 0.00 -1.33 0.00 0.00 58.87 56.55 1vdy n SER 41 Cb 0.36 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vdy s SER 42 N -2.06 5.84 0.59 -3.46 0.01 -0.24 -5.06 113.70 109.32 1vdy s SER 42 Ca 0.39 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.28 1vdy s SER 42 Cb 0.19 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 1vdy s SER 42 CO 0.32 -0.28 1.08 -2.28 0.41 0.00 0.00 173.24 172.49 1vdy s HIS 43 N -2.15 2.87 0.41 2.43 2.46 -1.26 -4.91 115.29 115.13 1vdy s HIS 43 Ca 0.40 1.53 0.12 0.00 0.47 0.00 0.00 55.06 57.58 1vdy s HIS 43 Cb -0.08 -3.08 0.95 0.00 -0.13 0.00 0.00 32.58 30.23 1vdy s HIS 43 CO 0.29 -1.27 1.95 -0.24 -2.47 0.00 0.00 174.74 172.99 1vdy h VAL 44 N 0.54 0.89 -0.17 0.89 3.04 -1.98 0.03 116.25 119.49 1vdy h VAL 44 Ca -0.47 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.03 1vdy h VAL 44 Cb 1.23 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1vdy h VAL 44 CO 0.57 0.09 0.07 0.28 -1.01 0.00 0.00 177.57 177.57 1vdy h SER 45 N 0.52 0.20 -0.21 3.17 0.02 -1.99 -1.01 113.55 114.25 1vdy h SER 45 Ca 0.33 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1vdy h SER 45 Cb 0.57 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1vdy h SER 45 CO -0.11 0.19 -0.58 0.40 -1.14 0.00 0.00 176.83 175.59 1vdy h ILE 46 N 0.23 1.29 -0.85 3.27 1.08 -1.35 -0.40 117.51 120.79 1vdy h ILE 46 Ca 0.06 -1.79 -0.02 0.00 -0.39 0.00 0.00 64.86 62.72 1vdy h ILE 46 Cb 0.05 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 1vdy h ILE 46 CO -0.01 0.57 0.44 0.58 -0.69 0.00 0.00 178.15 179.04 1vdy h VAL 47 N 0.51 1.25 0.01 1.67 2.07 -1.10 0.79 116.25 121.46 1vdy h VAL 47 Ca -0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1vdy h VAL 47 Cb 1.20 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1vdy h VAL 47 CO 0.13 0.29 -0.01 0.11 0.02 0.00 0.00 177.57 178.11 1vdy h LYS 48 N 1.19 -0.02 -0.50 1.57 1.57 -1.13 -2.47 116.57 116.78 1vdy h LYS 48 Ca 0.30 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 1vdy h LYS 48 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1vdy h LYS 48 CO -0.04 0.21 0.13 0.93 -0.57 0.00 0.00 179.45 180.11 1vdy h GLU 49 N -0.25 0.27 -0.60 3.15 4.39 -0.65 -1.36 114.58 119.53 1vdy h GLU 49 Ca -0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1vdy h GLU 49 Cb 0.24 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1vdy h GLU 49 CO 0.00 0.18 0.34 0.74 -1.16 0.00 0.00 179.01 179.12 1vdy h PHE 50 N 0.28 0.64 -0.63 4.33 0.04 -0.77 -1.80 116.94 119.03 1vdy h PHE 50 Ca 0.25 0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.13 1vdy h PHE 50 Cb 0.31 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 1vdy h PHE 50 CO -0.20 0.34 0.27 0.77 -0.60 0.00 0.00 178.31 178.89 1vdy h SER 51 N 0.66 0.31 -0.99 2.17 0.02 -0.79 -1.64 113.55 113.29 1vdy h SER 51 Ca 0.25 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1vdy h SER 51 Cb 0.09 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 1vdy h SER 51 CO -0.14 0.18 0.64 -0.33 -1.14 0.00 0.00 176.83 176.04 1vdy h GLU 52 N 0.47 1.12 0.00 3.45 4.39 -0.62 -0.78 114.58 122.61 1vdy h GLU 52 Ca 0.31 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 1vdy h GLU 52 Cb 0.36 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1vdy h GLU 52 CO -0.29 0.74 -0.80 0.74 -1.16 0.00 0.00 179.01 178.25 1vdy h PHE 53 N 1.16 0.00 -0.44 4.33 0.04 -1.13 -2.87 116.94 118.02 1vdy h PHE 53 Ca 0.42 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.07 1vdy h PHE 53 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1vdy h PHE 53 CO -0.00 0.80 -0.20 0.82 -0.60 0.00 0.00 178.31 179.13 1vdy h ILE 54 N 0.00 1.27 -0.49 -0.55 2.04 -0.43 -2.95 117.51 116.40 1vdy h ILE 54 Ca -0.01 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1vdy h ILE 54 Cb 1.49 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1vdy h ILE 54 CO 0.10 0.45 0.18 -0.07 0.00 0.00 0.00 178.15 178.82 1vdy h LEU 55 N 0.77 0.69 -0.86 1.44 3.38 -1.14 -2.36 115.31 117.22 1vdy h LEU 55 Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1vdy h LEU 55 Cb 0.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1vdy h LEU 55 CO 0.06 0.68 0.09 0.29 0.09 0.00 0.00 178.44 179.65 1vdy n LYS 56 N -4.54 0.08 0.08 1.13 4.76 -1.09 -1.43 118.16 117.15 1vdy n LYS 56 Ca 0.01 0.56 -0.04 0.00 -2.87 0.00 0.00 58.31 55.98 1vdy n LYS 56 Cb 0.17 -1.87 -0.07 0.00 -1.84 0.00 0.00 35.03 31.42 1vdy n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vdy h ARG 57 N 0.00 0.00 -0.33 1.97 2.47 -1.45 -3.27 114.38 113.77 1vdy h ARG 57 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1vdy h ARG 57 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1vdy h ARG 57 CO 0.00 0.77 -0.23 -0.07 0.56 0.00 0.00 179.97 181.00 1vdy h LEU 58 N 0.00 0.65 -0.77 3.04 -0.00 -1.37 -3.08 115.31 113.78 1vdy h LEU 58 Ca -0.03 -0.23 0.06 0.00 -0.00 0.00 0.00 57.88 57.69 1vdy h LEU 58 Cb 1.65 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 42.07 1vdy h LEU 58 CO 0.10 0.87 0.45 -0.78 -0.00 0.00 0.00 178.44 179.08 1vdy h ASP 59 N 0.56 0.69 -1.56 -0.43 1.82 -1.64 -3.44 116.42 112.42 1vdy h ASP 59 Ca 0.08 0.03 -0.70 0.00 -0.39 0.00 0.00 57.03 56.05 1vdy h ASP 59 Cb 0.70 -0.11 0.06 0.00 0.68 0.00 0.00 39.33 40.66 1vdy h ASP 59 CO 0.05 0.44 0.31 -3.20 -1.61 0.00 0.00 179.24 175.23 1vdy n ASN 60 N -4.71 1.17 0.24 2.28 2.85 -1.16 -4.88 115.26 111.04 1vdy n ASN 60 Ca 0.11 1.13 0.09 0.00 -0.11 0.00 0.00 54.58 55.80 1vdy n ASN 60 Cb 0.18 -1.13 0.58 0.00 1.24 0.00 0.00 39.78 40.66 1vdy n ASN 60 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1vdy h LYS 61 N 3.93 0.00 -6.84 1.20 1.63 -1.90 -3.45 116.57 111.15 1vdy h LYS 61 Ca -0.47 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.84 1vdy h LYS 61 Cb 1.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1vdy h LYS 61 CO 0.73 0.20 0.41 0.45 -3.45 0.00 0.00 179.45 177.79 1vdy s SER 62 N -6.46 7.25 0.17 4.20 0.15 -1.26 -4.96 113.70 112.79 1vdy s SER 62 Ca -0.03 2.08 -0.05 0.00 0.70 0.00 0.00 55.95 58.65 1vdy s SER 62 Cb 0.13 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1vdy s SER 62 CO 0.64 -0.14 1.47 1.55 1.20 0.00 0.00 173.24 177.96 1vdy h PRO 63 N 3.50 0.61 0.37 5.44 0.13 -1.94 -3.20 132.00 136.91 1vdy h PRO 63 Ca -0.47 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.25 1vdy h PRO 63 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1vdy h PRO 63 CO 0.66 1.02 -0.25 0.82 -0.23 0.00 0.00 178.00 180.02 1vdy h ILE 64 N 0.46 0.47 -0.52 -3.56 2.04 -1.93 -0.94 117.51 113.54 1vdy h ILE 64 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.97 1vdy h ILE 64 Cb 1.15 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1vdy h ILE 64 CO 0.11 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.69 1vdy h VAL 65 N -0.61 0.45 0.80 1.67 2.07 -1.84 -1.42 116.25 117.38 1vdy h VAL 65 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1vdy h VAL 65 Cb 0.51 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1vdy h VAL 65 CO 0.02 0.00 -0.38 0.07 0.02 0.00 0.00 177.57 177.30 1vdy h LYS 66 N -0.02 -1.03 -0.86 1.57 2.10 -1.50 -3.09 116.57 113.72 1vdy h LYS 66 Ca 0.25 0.07 0.17 0.00 -2.00 0.00 0.00 60.65 59.14 1vdy h LYS 66 Cb 0.40 0.23 -0.16 0.00 -0.90 0.00 0.00 32.23 31.80 1vdy h LYS 66 CO -0.54 -0.68 -0.23 0.37 -2.00 0.00 0.00 179.45 176.37 1vdy h GLN 67 N -1.15 -0.01 -0.99 0.07 -0.00 -0.68 0.20 115.11 112.55 1vdy h GLN 67 Ca -0.11 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.64 1vdy h GLN 67 Cb 0.83 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.24 1vdy h GLN 67 CO 0.18 -0.00 0.63 0.87 0.00 0.00 0.00 178.83 180.50 1vdy h LYS 68 N -0.01 1.03 -0.44 1.69 1.57 -1.26 -1.16 116.57 117.99 1vdy h LYS 68 Ca 0.41 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1vdy h LYS 68 Cb 0.63 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1vdy h LYS 68 CO -0.89 0.68 -0.14 0.00 -0.57 0.00 0.00 179.45 178.53 1vdy h ALA 69 N 1.50 0.62 -0.54 3.86 0.00 -0.57 -2.63 119.26 121.49 1vdy h ALA 69 Ca 0.46 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1vdy h ALA 69 Cb 0.34 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1vdy h ALA 69 CO -0.22 0.53 -0.00 -0.07 0.00 0.00 0.00 179.25 179.49 1vdy h LEU 70 N 0.71 -0.23 -0.51 0.00 -0.00 -0.32 -0.19 115.31 114.77 1vdy h LEU 70 Ca 0.11 0.13 -0.10 0.00 -0.00 0.00 0.00 57.88 58.02 1vdy h LEU 70 Cb 0.69 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.56 1vdy h LEU 70 CO 0.05 -0.09 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.25 1vdy h ARG 71 N 0.12 0.94 -0.70 1.13 2.43 -1.44 -3.08 114.38 113.79 1vdy h ARG 71 Ca 0.28 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1vdy h ARG 71 Cb 0.43 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1vdy h ARG 71 CO -0.46 0.99 0.33 1.25 -1.51 0.00 0.00 179.97 180.58 1vdy h LEU 72 N 0.80 0.91 -0.14 3.80 5.85 -0.85 -1.34 115.31 124.33 1vdy h LEU 72 Ca 0.14 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1vdy h LEU 72 Cb 0.61 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1vdy h LEU 72 CO 0.04 0.79 -0.23 0.40 -0.34 0.00 0.00 178.44 179.10 1vdy h ILE 73 N 0.97 0.44 -0.06 4.05 2.04 -1.00 0.31 117.51 124.26 1vdy h ILE 73 Ca 0.24 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 1vdy h ILE 73 Cb 0.12 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1vdy h ILE 73 CO -0.03 0.00 -0.35 0.07 0.00 0.00 0.00 178.15 177.84 1vdy h LYS 74 N -0.28 0.13 -0.23 2.37 2.10 -1.44 0.11 116.57 119.32 1vdy h LYS 74 Ca 0.11 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 58.51 1vdy h LYS 74 Cb 0.44 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1vdy h LYS 74 CO -0.31 0.47 -0.61 -0.92 -2.00 0.00 0.00 179.45 176.09 1vdy h TYR 75 N 0.11 1.06 -0.01 0.07 5.03 -0.23 -3.32 116.97 119.69 1vdy h TYR 75 Ca 0.01 -0.41 -0.17 0.00 2.58 0.00 0.00 58.73 60.75 1vdy h TYR 75 Cb 0.68 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.79 1vdy h TYR 75 CO 0.01 1.24 -0.64 0.00 -1.32 0.00 0.00 178.16 177.44 1vdy h ALA 76 N 0.62 0.09 -2.56 1.82 0.00 -0.32 -3.44 119.26 115.48 1vdy h ALA 76 Ca -0.01 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.79 1vdy h ALA 76 Cb 1.22 0.03 0.15 0.00 0.00 0.00 0.00 17.79 19.20 1vdy h ALA 76 CO 0.13 0.39 0.36 0.54 0.00 0.00 0.00 179.25 180.67 1vdy s VAL 77 N -3.25 2.53 0.00 0.00 0.11 0.01 -1.35 120.40 118.46 1vdy s VAL 77 Ca -0.13 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1vdy s VAL 77 Cb 0.04 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 1vdy s VAL 77 CO 0.83 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1vdy n GLY 78 N 0.07 2.81 0.00 6.54 0.00 -1.26 -4.61 105.19 108.74 1vdy n GLY 78 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -1.04 2.50 0.20 1.61 2.85 -1.16 -4.75 118.16 118.37 1vdy n LYS 79 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1vdy n LYS 79 Cb 0.00 -0.94 0.42 0.00 -0.65 0.00 0.00 35.03 33.86 1vdy n LYS 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1vdy h SER 80 N 0.00 0.00 -3.98 -5.58 0.02 -1.47 -3.49 113.55 99.05 1vdy h SER 80 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 80 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1vdy h SER 80 CO 0.00 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 1vdy n GLY 81 N -0.70 3.68 0.19 -3.77 0.00 -1.26 -4.05 105.19 99.27 1vdy n GLY 81 Ca -0.02 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1vdy n GLY 81 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 82 N 0.00 0.00 0.20 1.61 0.02 -1.94 -3.21 113.55 110.23 1vdy h SER 82 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1vdy h SER 82 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1vdy h SER 82 CO 0.00 0.35 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.45 1vdy h GLU 83 N 0.00 -0.50 -0.30 3.45 3.07 -2.01 -1.80 114.58 116.49 1vdy h GLU 83 Ca -0.00 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.98 1vdy h GLU 83 Cb 0.64 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1vdy h GLU 83 CO 0.05 -0.33 0.23 0.35 -1.40 0.00 0.00 179.01 177.91 1vdy h PHE 84 N -0.51 0.00 0.42 4.33 3.57 -1.91 -2.18 116.94 120.66 1vdy h PHE 84 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1vdy h PHE 84 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1vdy h PHE 84 CO -0.20 0.00 -0.20 -0.09 -2.23 0.00 0.00 178.31 175.59 1vdy h ARG 85 N 0.00 -0.54 -0.90 1.11 2.43 -1.43 -2.13 114.38 112.91 1vdy h ARG 85 Ca 0.14 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1vdy h ARG 85 Cb 0.60 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1vdy h ARG 85 CO -0.00 -0.28 0.55 0.00 -1.51 0.00 0.00 179.97 178.73 1vdy h ARG 86 N -0.72 1.22 -0.78 0.20 2.47 -1.29 -2.08 114.38 113.39 1vdy h ARG 86 Ca -0.06 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.52 1vdy h ARG 86 Cb 0.51 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1vdy h ARG 86 CO 0.09 0.84 0.32 0.93 0.56 0.00 0.00 179.97 182.72 1vdy h GLU 87 N 1.24 1.17 -0.16 0.04 4.39 -1.43 -1.94 114.58 117.90 1vdy h GLU 87 Ca 0.33 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1vdy h GLU 87 Cb -0.07 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1vdy h GLU 87 CO -0.06 0.94 0.02 0.52 -1.16 0.00 0.00 179.01 179.26 1vdy h MET 88 N 1.14 0.27 -0.56 2.33 2.86 -0.84 -3.08 114.93 117.05 1vdy h MET 88 Ca 0.26 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.94 1vdy h MET 88 Cb 0.20 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.75 1vdy h MET 88 CO -0.02 0.46 0.03 1.96 1.06 0.00 0.00 176.91 180.40 1vdy h GLN 89 N 0.04 0.14 -0.80 1.72 4.20 -1.07 0.11 115.11 119.45 1vdy h GLN 89 Ca 0.05 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.98 1vdy h GLN 89 Cb 0.33 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1vdy h GLN 89 CO 0.00 0.09 0.60 -0.09 -0.67 0.00 0.00 178.83 178.77 1vdy h ARG 90 N 0.15 0.00 0.00 1.46 2.43 -1.27 -2.00 114.38 115.15 1vdy h ARG 90 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1vdy h ARG 90 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1vdy h ARG 90 CO -0.45 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.10 1vdy n ASN 91 N -4.19 1.41 0.11 -3.80 3.02 -0.57 -4.81 115.26 106.44 1vdy n ASN 91 Ca 0.16 -1.53 0.05 0.00 -0.03 0.00 0.00 54.58 53.23 1vdy n ASN 91 Cb 0.89 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 40.32 1vdy n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1vdy n SER 92 N -0.26 0.24 -0.30 6.41 3.41 0.27 -1.96 113.62 121.43 1vdy n SER 92 Ca 0.00 0.49 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 1vdy n SER 92 Cb 0.18 -0.45 0.41 0.00 -0.26 0.00 0.00 64.21 64.08 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vdy h VAL 93 N 0.00 0.72 -0.38 -3.33 3.04 -1.87 -1.97 116.25 112.46 1vdy h VAL 93 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1vdy h VAL 93 Cb 0.52 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.83 1vdy h VAL 93 CO 0.00 0.11 0.25 0.00 -1.01 0.00 0.00 177.57 176.92 1vdy h ALA 94 N 1.62 0.48 -0.38 3.17 0.00 -1.80 -0.53 119.26 121.82 1vdy h ALA 94 Ca 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 1vdy h ALA 94 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1vdy h ALA 94 CO -0.27 -0.05 0.06 0.28 0.00 0.00 0.00 179.25 179.27 1vdy h VAL 95 N 0.52 1.24 0.00 0.00 2.07 -1.61 -2.67 116.25 115.80 1vdy h VAL 95 Ca 0.14 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1vdy h VAL 95 Cb -0.05 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1vdy h VAL 95 CO -0.03 0.29 -0.13 0.03 0.02 0.00 0.00 177.57 177.75 1vdy h ARG 96 N 0.47 0.00 0.00 1.57 3.08 -1.18 -1.50 114.38 116.82 1vdy h ARG 96 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1vdy h ARG 96 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1vdy h ARG 96 CO 0.01 0.13 0.00 0.09 -1.07 0.00 0.00 179.97 179.13 1vdy n ASN 97 N -4.30 0.00 -0.00 7.04 3.02 -0.23 -2.21 115.26 118.57 1vdy n ASN 97 Ca -0.03 -0.29 0.06 0.00 -0.03 0.00 0.00 54.58 54.30 1vdy n ASN 97 Cb 0.20 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vdy n LEU 98 N -1.09 0.47 0.30 3.41 4.77 -0.57 -4.13 117.00 120.16 1vdy n LEU 98 Ca 0.10 -0.38 0.20 0.00 -0.03 0.00 0.00 56.01 55.90 1vdy n LEU 98 Cb 0.07 0.00 1.07 0.00 -2.33 0.00 0.00 43.42 42.23 1vdy n LEU 98 CO 0.09 0.12 1.11 -0.26 -1.33 0.00 0.00 177.39 177.12 1vdy h PHE 99 N 0.00 0.00 0.00 -1.77 0.04 -1.54 -1.08 116.94 112.59 1vdy h PHE 99 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vdy h PHE 99 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1vdy h PHE 99 CO 0.00 0.00 -0.01 -2.39 -0.60 0.00 0.00 178.31 175.31 1vdy n HIS 100 N -2.92 0.00 -2.46 -0.55 1.44 -1.26 -5.04 115.22 104.43 1vdy n HIS 100 Ca -0.02 -0.50 -0.42 0.00 -2.01 0.00 0.00 57.72 54.77 1vdy n HIS 100 Cb 0.08 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.10 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1vdy s TYR 101 N -1.09 3.50 0.00 -1.40 6.14 -0.41 -4.91 117.35 119.18 1vdy s TYR 101 Ca 0.03 1.44 0.00 0.00 0.64 0.00 0.00 57.07 59.18 1vdy s TYR 101 Cb 0.03 -3.36 0.00 0.00 0.42 0.00 0.00 41.96 39.05 1vdy s TYR 101 CO 0.00 -0.97 0.00 0.36 0.64 0.00 0.00 175.55 175.58 1vdy n LYS 102 N 3.22 1.22 0.00 4.97 2.85 -1.26 -4.88 118.16 124.28 1vdy n LYS 102 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1vdy n LYS 102 Cb 0.46 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.95 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vdy n GLY 103 N 2.12 3.02 3.07 2.58 0.00 -1.26 -4.63 105.19 110.10 1vdy n GLY 103 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1vdy n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vdy s HIS 104 N 0.00 1.71 -0.08 1.61 -3.43 -1.26 -5.10 115.29 108.73 1vdy s HIS 104 Ca 0.00 -0.64 -0.30 0.00 -0.80 0.00 0.00 55.06 53.32 1vdy s HIS 104 Cb 0.00 -1.21 -0.05 0.00 -1.43 0.00 0.00 32.58 29.89 1vdy s HIS 104 CO 0.00 -0.30 1.65 -1.25 -2.00 0.00 0.00 174.74 172.84 1vdy s PRO 105 N 0.56 4.11 0.20 -0.38 0.04 -1.26 -4.78 135.00 133.49 1vdy s PRO 105 Ca -0.15 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1vdy s PRO 105 Cb -0.16 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 1vdy s PRO 105 CO 0.05 -0.92 0.54 -0.51 0.04 0.00 0.00 177.00 176.19 1vdy s ASP 106 N 3.52 6.67 0.58 6.66 1.01 -0.06 -4.89 116.67 130.16 1vdy s ASP 106 Ca 0.73 0.94 0.31 0.00 0.71 0.00 0.00 52.55 55.24 1vdy s ASP 106 Cb -0.32 -2.23 1.78 0.00 1.01 0.00 0.00 42.92 43.16 1vdy s ASP 106 CO 0.29 -0.02 2.21 1.55 0.21 0.00 0.00 175.17 179.42 1vdy h PRO 107 N 2.84 0.00 0.00 8.23 0.13 -1.94 -0.57 132.00 140.69 1vdy h PRO 107 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1vdy h PRO 107 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vdy h PRO 107 CO 0.68 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 1vdy n LEU 108 N -3.68 0.00 0.14 1.56 4.32 -1.26 -4.71 117.00 113.37 1vdy n LEU 108 Ca -0.03 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.07 1vdy n LEU 108 Cb 0.13 -0.26 0.51 0.00 -1.62 0.00 0.00 43.42 42.19 1vdy n LEU 108 CO 0.27 -0.31 0.82 0.29 -1.22 0.00 0.00 177.39 177.25 1vdy n LYS 109 N -2.09 0.15 0.00 3.23 4.76 -1.26 -4.93 118.16 118.04 1vdy n LYS 109 Ca 0.00 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1vdy n LYS 109 Cb 0.00 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N -0.68 3.99 0.39 0.72 0.00 -0.22 -1.14 105.19 108.25 1vdy n GLY 110 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1vdy n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdy n ASP 111 N 9.05 2.17 -0.06 1.61 9.92 -1.26 -0.88 116.55 137.11 1vdy n ASP 111 Ca 0.00 -1.67 -0.12 0.00 -0.53 0.00 0.00 54.79 52.47 1vdy n ASP 111 Cb 0.00 -0.08 -0.08 0.00 -0.64 0.00 0.00 41.12 40.31 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1vdy h ALA 112 N 1.51 -0.77 -0.95 2.24 0.00 -1.53 -2.09 119.26 117.67 1vdy h ALA 112 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1vdy h ALA 112 Cb 0.50 0.99 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1vdy h ALA 112 CO 0.00 -0.95 0.61 -0.07 0.00 0.00 0.00 179.25 178.83 1vdy h LEU 113 N -0.41 0.82 -1.51 0.00 4.07 -1.88 -1.46 115.31 114.94 1vdy h LEU 113 Ca 0.04 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1vdy h LEU 113 Cb 0.53 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1vdy h LEU 113 CO -0.42 0.43 0.01 0.78 -1.08 0.00 0.00 178.44 178.17 1vdy h ASN 114 N 0.88 0.30 -0.25 -0.43 2.35 -1.72 -1.62 115.58 115.09 1vdy h ASN 114 Ca 0.47 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.18 1vdy h ASN 114 Cb 0.56 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1vdy h ASN 114 CO -0.24 0.34 0.13 0.50 -1.65 0.00 0.00 177.43 176.51 1vdy h LYS 115 N 0.32 0.36 -0.75 0.81 3.11 -0.91 -2.64 116.57 116.87 1vdy h LYS 115 Ca 0.08 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1vdy h LYS 115 Cb 0.20 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.32 1vdy h LYS 115 CO 0.00 0.34 0.49 0.00 -2.81 0.00 0.00 179.45 177.48 1vdy h ALA 116 N 0.99 1.59 0.67 5.00 0.00 -1.25 -0.53 119.26 125.74 1vdy h ALA 116 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1vdy h ALA 116 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1vdy h ALA 116 CO -0.01 0.32 -0.45 0.28 0.00 0.00 0.00 179.25 179.39 1vdy h VAL 117 N 0.88 0.10 -0.70 0.00 2.07 -1.17 -1.96 116.25 115.47 1vdy h VAL 117 Ca 0.30 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.77 1vdy h VAL 117 Cb 0.11 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1vdy h VAL 117 CO -0.09 0.00 0.22 0.08 0.02 0.00 0.00 177.57 177.79 1vdy h ARG 118 N -1.07 1.09 -0.21 1.57 -0.00 -1.33 -0.08 114.38 114.35 1vdy h ARG 118 Ca -0.09 -0.24 0.05 0.00 -0.00 0.00 0.00 59.98 59.71 1vdy h ARG 118 Cb 0.87 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.97 30.64 1vdy h ARG 118 CO 0.06 0.94 -0.09 0.93 -0.00 0.00 0.00 179.97 181.81 1vdy h GLU 119 N 1.02 -0.05 -0.33 0.08 4.39 -1.03 -0.51 114.58 118.15 1vdy h GLU 119 Ca 0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1vdy h GLU 119 Cb 0.30 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1vdy h GLU 119 CO -0.01 -0.04 -0.07 1.15 -1.16 0.00 0.00 179.01 178.89 1vdy h THR 120 N -0.06 1.28 -0.99 1.13 2.02 -1.24 -3.15 112.91 111.90 1vdy h THR 120 Ca 0.11 -1.11 0.13 0.00 0.77 0.00 0.00 66.41 66.32 1vdy h THR 120 Cb 0.22 1.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.86 1vdy h THR 120 CO -0.25 0.36 0.62 0.00 0.37 0.00 0.00 175.52 176.62 1vdy h ALA 121 N 0.81 1.52 -0.21 6.16 0.00 0.02 -0.35 119.26 127.22 1vdy h ALA 121 Ca 0.09 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vdy h ALA 121 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1vdy h ALA 121 CO 0.03 0.16 0.10 0.45 0.00 0.00 0.00 179.25 179.99 1vdy h HIS 122 N 0.93 0.18 -0.81 0.00 -0.00 -1.09 -2.46 115.15 111.91 1vdy h HIS 122 Ca 0.51 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.84 1vdy h HIS 122 Cb 0.57 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 1vdy h HIS 122 CO -0.01 0.10 0.32 0.93 -0.00 0.00 0.00 177.93 179.28 1vdy h GLU 123 N 0.21 1.20 -0.36 2.45 5.08 -1.30 -3.15 114.58 118.72 1vdy h GLU 123 Ca 0.08 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1vdy h GLU 123 Cb 0.02 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.01 1vdy h GLU 123 CO -0.06 0.97 -0.07 1.15 -1.00 0.00 0.00 179.01 180.00 1vdy h THR 124 N 1.17 0.66 -0.32 1.13 2.02 -0.65 -2.19 112.91 114.73 1vdy h THR 124 Ca 0.27 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1vdy h THR 124 Cb 0.21 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1vdy h THR 124 CO -0.02 0.00 0.20 0.40 0.37 0.00 0.00 175.52 176.47 1vdy h ILE 125 N 0.02 1.06 -0.00 3.11 1.08 -1.45 -2.30 117.51 119.03 1vdy h ILE 125 Ca 0.17 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1vdy h ILE 125 Cb 0.26 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1vdy h ILE 125 CO -0.35 0.07 0.05 0.28 -0.69 0.00 0.00 178.15 177.51 1vdy h SER 126 N 0.41 0.00 0.05 1.72 0.02 -1.41 -0.83 113.55 113.51 1vdy h SER 126 Ca 0.12 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.80 1vdy h SER 126 Cb -0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1vdy h SER 126 CO -0.04 0.00 -1.48 0.00 -1.14 0.00 0.00 176.83 174.17 1vdy h ALA 127 N 1.90 0.30 -0.55 3.77 0.00 -1.00 -2.88 119.26 120.80 1vdy h ALA 127 Ca 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 54.91 53.65 1vdy h ALA 127 Cb 0.10 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1vdy h ALA 127 CO -0.00 0.89 0.23 0.82 0.00 0.00 0.00 179.25 181.19 1vdy h ILE 128 N -0.58 1.22 -0.54 0.00 2.04 -0.95 -2.68 117.51 116.02 1vdy h ILE 128 Ca -0.36 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1vdy h ILE 128 Cb 1.58 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1vdy h ILE 128 CO -0.08 0.26 0.00 0.49 0.00 0.00 0.00 178.15 178.82 1vdy n PHE 129 N -4.52 1.93 -0.82 1.37 3.72 -0.36 -4.93 117.46 113.86 1vdy n PHE 129 Ca 0.03 -0.67 -0.29 0.00 -0.05 0.00 0.00 57.45 56.47 1vdy n PHE 129 Cb 0.15 -0.48 0.21 0.00 -0.94 0.00 0.00 39.48 38.42 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy s SER 130 N -0.73 1.95 -1.44 4.37 0.15 -1.01 -3.78 113.70 113.20 1vdy s SER 130 Ca 0.51 1.50 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 1vdy s SER 130 Cb 0.39 -2.20 0.05 0.00 -1.71 0.00 0.00 66.02 62.54 1vdy s SER 130 CO 0.15 -3.59 1.07 -0.62 1.20 0.00 0.00 173.24 171.45 1vdy n GLU 131 N -4.51 -6.66 -1.33 5.44 1.02 -1.26 -4.96 120.64 108.38 1vdy n GLU 131 Ca 0.05 0.71 -0.33 0.00 -0.02 0.00 0.00 57.16 57.57 1vdy n GLU 131 Cb 0.55 -5.67 0.10 0.00 -0.02 0.00 0.00 31.44 26.39 1vdy n GLU 131 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1vdy s GLU 132 N -6.44 2.09 0.00 3.49 2.12 -1.25 -4.99 118.70 113.71 1vdy s GLU 132 Ca 0.60 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.46 1vdy s GLU 132 Cb -0.28 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.25 1vdy s GLU 132 CO 0.78 -1.83 0.00 0.27 -0.54 0.00 0.00 175.26 173.95 1vdy n ASN 133 N -3.09 4.78 0.00 -1.70 0.23 -1.26 -5.14 115.26 109.08 1vdy n ASN 133 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1vdy n ASN 133 Cb 0.51 0.86 0.00 0.00 -2.08 0.00 0.00 39.78 39.07 1vdy n ASN 133 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vdy n GLY 134 N 2.49 3.29 0.00 4.83 0.00 -1.26 -5.07 105.19 109.47 1vdy n GLY 134 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vdy n SER 135 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.17 113.62 111.68 1vdy n SER 135 Ca 0.00 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1vdy n SER 135 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vdy n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdy n GLY 136 N 0.00 -1.05 3.46 0.46 0.00 -1.26 -4.75 105.19 102.06 1vdy n GLY 136 Ca 0.00 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1vdy n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vdy n PRO 137 N -0.92 3.17 -2.28 1.61 -0.04 -1.26 -4.98 135.00 130.29 1vdy n PRO 137 Ca 0.00 -3.23 -0.41 0.00 -0.04 0.00 0.00 63.50 59.82 1vdy n PRO 137 Cb 0.00 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 29.98 1vdy n PRO 137 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1vdy s SER 138 N 4.00 6.99 -1.23 3.54 1.04 -1.26 -3.21 113.70 123.58 1vdy s SER 138 Ca 0.52 2.43 -0.03 0.00 0.48 0.00 0.00 55.95 59.35 1vdy s SER 138 Cb 0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1vdy s SER 138 CO 0.05 -0.40 1.04 -1.20 0.98 0.00 0.00 173.24 173.72 1vdy n SER 139 N 1.65 -3.65 0.00 7.02 7.64 -1.26 -5.26 113.62 119.76 1vdy n SER 139 Ca 0.02 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1vdy n SER 139 Cb 0.43 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64