#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy n SER 2 N 0.00 -0.51 -3.84 1.61 2.88 -1.26 -5.12 113.62 107.39 1vdy n SER 2 Ca 0.00 -0.91 -0.12 0.00 -1.33 0.00 0.00 58.87 56.51 1vdy n SER 2 Cb 0.00 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.14 1vdy n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vdy s SER 3 N -2.12 -0.03 -0.77 -3.46 1.04 -1.26 -5.11 113.70 101.99 1vdy s SER 3 Ca 0.16 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 1vdy s SER 3 Cb -0.01 0.24 0.20 0.00 0.10 0.00 0.00 66.02 66.54 1vdy s SER 3 CO 0.12 -0.40 0.73 -0.83 0.98 0.00 0.00 173.24 173.83 1vdy s GLY 4 N -1.41 2.51 0.18 7.32 0.00 -1.26 -4.95 107.32 109.71 1vdy s GLY 4 Ca -0.14 -3.13 -0.16 0.00 0.00 0.00 0.00 44.72 41.29 1vdy s GLY 4 CO 0.02 1.28 1.64 0.23 0.00 0.00 0.00 173.10 176.27 1vdy h SER 5 N 8.06 -0.52 -0.09 1.64 0.87 -2.06 0.45 113.55 121.90 1vdy h SER 5 Ca 0.02 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1vdy h SER 5 Cb 1.05 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1vdy h SER 5 CO 0.83 -0.18 0.00 -1.20 -0.53 0.00 0.00 176.83 175.75 1vdy n SER 6 N -5.37 0.58 -0.78 6.23 7.64 -1.26 -4.31 113.62 116.35 1vdy n SER 6 Ca 0.04 -1.80 0.02 0.00 1.01 0.00 0.00 58.87 58.14 1vdy n SER 6 Cb 0.27 -0.06 0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1vdy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 7 N 0.77 1.71 1.93 0.23 0.00 0.15 -4.69 105.19 105.29 1vdy n GLY 7 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1vdy n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdy n GLU 8 N 0.13 1.08 0.29 1.61 1.02 -1.26 -4.62 120.64 118.90 1vdy n GLU 8 Ca 0.06 -0.39 0.14 0.00 -0.02 0.00 0.00 57.16 56.96 1vdy n GLU 8 Cb 0.44 -1.54 0.87 0.00 -0.02 0.00 0.00 31.44 31.20 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1vdy h SER 9 N 3.01 0.00 0.68 1.62 4.64 -1.98 -1.94 113.55 119.57 1vdy h SER 9 Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1vdy h SER 9 Cb 0.90 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1vdy h SER 9 CO 0.17 0.02 -0.33 0.22 -0.87 0.00 0.00 176.83 176.05 1vdy h TYR 10 N 0.00 -0.85 -0.13 4.77 5.03 -1.98 0.17 116.97 123.99 1vdy h TYR 10 Ca -0.00 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.33 1vdy h TYR 10 Cb 0.05 0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 1vdy h TYR 10 CO 0.00 -0.52 -0.10 2.35 -1.32 0.00 0.00 178.16 178.57 1vdy h TRP 11 N -1.23 -0.25 0.09 -3.82 -0.00 -1.89 0.87 115.95 109.73 1vdy h TRP 11 Ca -0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1vdy h TRP 11 Cb 0.71 0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.00 1vdy h TRP 11 CO 0.00 -0.15 -0.05 0.00 -0.00 0.00 0.00 178.44 178.24 1vdy h ARG 12 N -0.11 -0.12 -0.83 2.65 3.08 -1.45 -3.18 114.38 114.42 1vdy h ARG 12 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1vdy h ARG 12 Cb 0.23 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1vdy h ARG 12 CO -0.20 0.32 0.49 1.03 -1.07 0.00 0.00 179.97 180.55 1vdy h SER 13 N -0.62 0.99 -0.79 7.04 0.87 -0.91 -2.87 113.55 117.26 1vdy h SER 13 Ca -0.01 -0.06 0.15 0.00 -1.23 0.00 0.00 61.79 60.64 1vdy h SER 13 Cb 0.50 -0.25 -0.15 0.00 -0.44 0.00 0.00 62.40 62.06 1vdy h SER 13 CO 0.02 0.77 -0.23 0.03 -0.53 0.00 0.00 176.83 176.89 1vdy h ARG 14 N 1.14 -0.02 0.17 2.24 2.47 -0.80 0.27 114.38 119.85 1vdy h ARG 14 Ca 0.30 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1vdy h ARG 14 Cb -0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.24 1vdy h ARG 14 CO -0.06 -0.01 -0.42 0.52 0.56 0.00 0.00 179.97 180.56 1vdy h MET 15 N -0.02 -0.67 -0.32 0.04 2.86 -1.52 -0.51 114.93 114.80 1vdy h MET 15 Ca 0.37 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1vdy h MET 15 Cb 0.59 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1vdy h MET 15 CO -0.82 -0.44 0.14 0.82 1.06 0.00 0.00 176.91 177.66 1vdy h ILE 16 N -0.69 1.18 -0.80 -1.22 1.08 -1.34 -2.88 117.51 112.84 1vdy h ILE 16 Ca 0.01 -0.53 0.15 0.00 -0.39 0.00 0.00 64.86 64.09 1vdy h ILE 16 Cb 0.70 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1vdy h ILE 16 CO -0.21 0.19 0.53 -0.78 -0.69 0.00 0.00 178.15 177.18 1vdy h ASP 17 N 0.38 0.47 0.02 1.72 1.82 -0.19 0.14 116.42 120.77 1vdy h ASP 17 Ca 0.11 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1vdy h ASP 17 Cb 0.17 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1vdy h ASP 17 CO -0.01 0.24 -0.01 0.00 -1.61 0.00 0.00 179.24 177.85 1vdy h ALA 18 N 1.63 -0.02 0.00 -0.78 0.00 -0.87 0.38 119.26 119.59 1vdy h ALA 18 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vdy h ALA 18 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vdy h ALA 18 CO -0.14 -0.31 0.00 -0.39 0.00 0.00 0.00 179.25 178.41 1vdy h VAL 19 N -0.43 0.00 -0.14 0.00 -1.51 -1.40 -3.22 116.25 109.55 1vdy h VAL 19 Ca -0.00 -0.75 -0.11 0.00 -1.23 0.00 0.00 66.70 64.60 1vdy h VAL 19 Cb 0.42 1.74 -0.10 0.00 -2.13 0.00 0.00 31.29 31.22 1vdy h VAL 19 CO 0.00 0.00 -0.59 0.35 -1.23 0.00 0.00 177.57 176.10 1vdy n THR 20 N -3.02 2.14 -1.18 7.19 -2.24 0.43 -4.24 114.28 113.34 1vdy n THR 20 Ca 0.03 -3.30 -0.34 0.00 -2.27 0.00 0.00 64.05 58.17 1vdy n THR 20 Cb 0.43 -0.31 0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1vdy n THR 20 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vdy n SER 21 N -0.95 0.35 0.00 3.42 3.41 0.12 -4.71 113.62 115.25 1vdy n SER 21 Ca 0.23 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.48 1vdy n SER 21 Cb 0.77 -1.42 0.28 0.00 -0.26 0.00 0.00 64.21 63.57 1vdy n SER 21 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vdy n ASP 22 N -2.24 0.00 -4.89 4.04 5.75 -1.26 -4.50 116.55 113.44 1vdy n ASP 22 Ca 0.12 -1.07 -0.31 0.00 -0.01 0.00 0.00 54.79 53.53 1vdy n ASP 22 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1vdy s GLU 23 N -2.00 3.67 0.28 0.11 -6.30 -1.26 -4.97 118.70 108.23 1vdy s GLU 23 Ca 0.14 0.03 0.21 0.00 -2.50 0.00 0.00 54.97 52.85 1vdy s GLU 23 Cb 0.06 -2.73 1.04 0.00 0.00 0.00 0.00 34.13 32.50 1vdy s GLU 23 CO 0.11 0.35 1.63 -0.25 0.02 0.00 0.00 175.26 177.12 1vdy n ASP 24 N -0.28 0.55 -4.49 -1.70 9.92 -1.26 -4.74 116.55 114.55 1vdy n ASP 24 Ca -0.01 0.71 -0.44 0.00 -0.53 0.00 0.00 54.79 54.52 1vdy n ASP 24 Cb 0.53 -0.80 -0.08 0.00 -0.64 0.00 0.00 41.12 40.13 1vdy n ASP 24 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1vdy n LYS 25 N -2.19 0.82 -1.84 -1.24 0.00 -1.26 -4.90 118.16 107.54 1vdy n LYS 25 Ca -0.00 0.14 -0.40 0.00 0.00 0.00 0.00 58.31 58.04 1vdy n LYS 25 Cb 0.09 -2.53 0.01 0.00 0.00 0.00 0.00 35.03 32.60 1vdy n LYS 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1vdy s VAL 26 N 9.15 2.15 -0.16 3.15 1.01 -1.26 -4.85 120.40 129.59 1vdy s VAL 26 Ca 1.12 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1vdy s VAL 26 Cb -0.75 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1vdy s VAL 26 CO 0.42 0.03 2.13 0.00 0.00 0.00 0.00 175.10 177.68 1vdy n ALA 27 N 0.15 1.59 -1.65 5.51 0.00 -1.26 -4.99 120.51 119.87 1vdy n ALA 27 Ca 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1vdy n ALA 27 Cb 0.41 -2.79 0.10 0.00 0.00 0.00 0.00 19.45 17.17 1vdy n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vdy s PRO 28 N 5.68 1.86 0.08 0.00 0.04 -1.26 -4.99 135.00 136.40 1vdy s PRO 28 Ca 0.98 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1vdy s PRO 28 Cb -0.44 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 31.99 1vdy s PRO 28 CO 0.40 -1.73 1.24 0.28 0.04 0.00 0.00 177.00 177.23 1vdy h VAL 29 N -1.16 1.29 -0.25 -0.36 2.07 -2.01 -3.26 116.25 112.57 1vdy h VAL 29 Ca -0.48 -2.08 0.07 0.00 0.82 0.00 0.00 66.70 65.04 1vdy h VAL 29 Cb 1.30 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1vdy h VAL 29 CO 0.62 0.65 0.31 0.10 0.02 0.00 0.00 177.57 179.26 1vdy h TYR 30 N 0.43 0.00 0.00 1.57 -0.00 -2.00 0.11 116.97 117.08 1vdy h TYR 30 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.54 1vdy h TYR 30 Cb 1.51 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.22 1vdy h TYR 30 CO 0.10 0.00 -1.02 0.87 -0.00 0.00 0.00 178.16 178.10 1vdy h LYS 31 N 0.00 0.00 -0.03 0.10 1.57 -1.96 -3.27 116.57 112.97 1vdy h LYS 31 Ca 0.12 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.67 1vdy h LYS 31 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1vdy h LYS 31 CO -0.00 0.24 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.15 1vdy h LEU 32 N 0.00 0.66 -1.82 2.94 3.38 -0.90 -3.17 115.31 116.40 1vdy h LEU 32 Ca -0.08 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1vdy h LEU 32 Cb 1.36 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1vdy h LEU 32 CO 0.04 1.29 -0.13 1.05 0.09 0.00 0.00 178.44 180.77 1vdy h GLU 33 N 0.31 0.00 0.49 1.13 4.11 -1.46 -1.91 114.58 117.25 1vdy h GLU 33 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1vdy h GLU 33 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1vdy h GLU 33 CO 0.17 0.13 -0.24 0.93 0.07 0.00 0.00 179.01 180.07 1vdy h GLU 34 N 0.00 -0.64 0.22 1.06 5.08 -1.60 -2.60 114.58 116.11 1vdy h GLU 34 Ca -0.00 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1vdy h GLU 34 Cb 0.38 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1vdy h GLU 34 CO 0.02 -0.36 -0.30 0.82 -1.00 0.00 0.00 179.01 178.19 1vdy h ILE 35 N -0.83 0.36 -0.39 3.13 2.04 -1.54 -0.12 117.51 120.17 1vdy h ILE 35 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1vdy h ILE 35 Cb 0.58 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1vdy h ILE 35 CO 0.11 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.52 1vdy h ASP 37 N 0.50 -0.11 -0.05 0.00 3.58 -1.09 -3.17 116.42 116.07 1vdy h ASP 37 Ca 0.15 -0.41 0.01 0.00 0.42 0.00 0.00 57.03 57.20 1vdy h ASP 37 Cb -0.01 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1vdy h ASP 37 CO -0.03 0.39 0.04 -0.07 -2.88 0.00 0.00 179.24 176.69 1vdy h LEU 38 N -0.66 0.00 -0.17 2.28 3.38 -0.65 -0.78 115.31 118.71 1vdy h LEU 38 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1vdy h LEU 38 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1vdy h LEU 38 CO 0.02 0.00 0.03 -0.07 0.09 0.00 0.00 178.44 178.51 1vdy h LEU 39 N 0.00 0.27 -0.15 1.67 3.38 -0.70 -2.73 115.31 117.05 1vdy h LEU 39 Ca 0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1vdy h LEU 39 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1vdy h LEU 39 CO -0.00 0.45 -0.05 0.03 0.09 0.00 0.00 178.44 178.96 1vdy h ARG 40 N 0.07 0.29 -0.17 1.13 3.08 -1.38 -3.02 114.38 114.38 1vdy h ARG 40 Ca 0.05 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1vdy h ARG 40 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1vdy h ARG 40 CO 0.00 0.59 0.00 0.43 -1.07 0.00 0.00 179.97 179.93 1vdy n SER 41 N -4.68 0.17 -4.48 7.04 7.64 -0.36 -4.77 113.62 114.19 1vdy n SER 41 Ca -0.06 -1.42 -0.24 0.00 1.01 0.00 0.00 58.87 58.17 1vdy n SER 41 Cb 0.27 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vdy s SER 42 N -1.05 2.88 0.51 6.43 0.01 -1.03 -4.99 113.70 116.46 1vdy s SER 42 Ca 0.00 -1.42 -0.19 0.00 1.31 0.00 0.00 55.95 55.65 1vdy s SER 42 Cb 0.00 -0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.09 1vdy s SER 42 CO 0.00 -0.61 1.03 -2.28 0.41 0.00 0.00 173.24 171.79 1vdy s HIS 43 N -3.12 3.06 0.48 2.43 2.46 -1.26 -4.95 115.29 114.39 1vdy s HIS 43 Ca 0.33 1.55 0.22 0.00 0.47 0.00 0.00 55.06 57.64 1vdy s HIS 43 Cb 0.08 -3.01 1.25 0.00 -0.13 0.00 0.00 32.58 30.77 1vdy s HIS 43 CO 0.15 -0.80 1.92 -0.24 -2.47 0.00 0.00 174.74 173.30 1vdy h VAL 44 N 1.24 0.70 -0.47 0.89 3.04 -1.96 0.31 116.25 120.01 1vdy h VAL 44 Ca -0.49 -0.07 0.09 0.00 -1.01 0.00 0.00 66.70 65.22 1vdy h VAL 44 Cb 1.21 0.48 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 1vdy h VAL 44 CO 0.59 0.04 0.32 -1.28 -1.01 0.00 0.00 177.57 176.23 1vdy h SER 45 N 0.21 0.24 0.41 3.17 0.87 -1.99 -0.45 113.55 116.01 1vdy h SER 45 Ca 0.37 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.68 1vdy h SER 45 Cb 1.14 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1vdy h SER 45 CO -0.07 0.15 -1.08 0.40 -0.53 0.00 0.00 176.83 175.70 1vdy h ILE 46 N 0.27 1.42 -0.82 2.23 1.08 -1.30 -2.42 117.51 117.97 1vdy h ILE 46 Ca 0.21 -2.65 -0.03 0.00 -0.39 0.00 0.00 64.86 62.00 1vdy h ILE 46 Cb 0.50 2.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.84 1vdy h ILE 46 CO -0.04 0.79 0.39 0.58 -0.69 0.00 0.00 178.15 179.18 1vdy h VAL 47 N 0.18 1.25 0.16 1.67 2.07 -1.09 -0.06 116.25 120.43 1vdy h VAL 47 Ca -0.11 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1vdy h VAL 47 Cb 1.75 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1vdy h VAL 47 CO 0.19 0.30 -0.08 0.11 0.02 0.00 0.00 177.57 178.11 1vdy h LYS 48 N 1.16 -0.21 -0.41 1.57 1.57 -1.32 -1.94 116.57 117.00 1vdy h LYS 48 Ca 0.28 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1vdy h LYS 48 Cb 0.12 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1vdy h LYS 48 CO -0.04 0.01 0.06 0.93 -0.57 0.00 0.00 179.45 179.84 1vdy h GLU 49 N -0.40 0.17 -0.96 3.15 4.39 -1.13 -1.06 114.58 118.74 1vdy h GLU 49 Ca -0.02 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1vdy h GLU 49 Cb 0.31 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1vdy h GLU 49 CO 0.04 0.12 0.63 0.74 -1.16 0.00 0.00 179.01 179.37 1vdy h PHE 50 N 0.18 1.22 -0.26 4.33 0.04 -0.92 -1.89 116.94 119.65 1vdy h PHE 50 Ca 0.20 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1vdy h PHE 50 Cb 0.26 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1vdy h PHE 50 CO -0.22 0.78 0.05 0.77 -0.60 0.00 0.00 178.31 179.09 1vdy h SER 51 N 1.31 0.02 -0.13 2.17 0.02 -0.41 -0.58 113.55 115.95 1vdy h SER 51 Ca 0.35 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1vdy h SER 51 Cb -0.13 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1vdy h SER 51 CO -0.07 0.04 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.20 1vdy h GLU 52 N 0.15 -0.15 0.00 3.45 4.39 -0.66 -1.16 114.58 120.60 1vdy h GLU 52 Ca 0.12 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1vdy h GLU 52 Cb 0.12 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1vdy h GLU 52 CO -0.16 -0.10 -0.22 0.74 -1.16 0.00 0.00 179.01 178.11 1vdy h PHE 53 N -0.15 0.00 -0.07 4.33 0.04 -1.05 -2.52 116.94 117.53 1vdy h PHE 53 Ca 0.09 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1vdy h PHE 53 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1vdy h PHE 53 CO -0.25 0.22 -0.11 0.82 -0.60 0.00 0.00 178.31 178.39 1vdy h ILE 54 N 0.00 1.40 -0.83 -0.55 2.04 -0.45 -3.28 117.51 115.84 1vdy h ILE 54 Ca -0.00 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1vdy h ILE 54 Cb 0.40 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1vdy h ILE 54 CO 0.03 0.38 0.50 -0.07 0.00 0.00 0.00 178.15 178.99 1vdy h LEU 55 N -0.28 1.00 -0.96 1.44 3.38 -1.00 -2.69 115.31 116.20 1vdy h LEU 55 Ca 0.01 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.16 1vdy h LEU 55 Cb 0.68 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 1vdy h LEU 55 CO 0.03 0.77 0.51 0.11 0.09 0.00 0.00 178.44 179.94 1vdy h LYS 56 N 1.14 0.48 -0.04 1.13 1.79 -1.51 -0.50 116.57 119.07 1vdy h LYS 56 Ca 0.30 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1vdy h LYS 56 Cb -0.04 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1vdy h LYS 56 CO -0.06 0.32 0.05 0.00 -1.08 0.00 0.00 179.45 178.69 1vdy h ARG 57 N 0.50 0.00 -0.02 3.15 -0.00 -1.60 -2.26 114.38 114.15 1vdy h ARG 57 Ca 0.61 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 60.00 1vdy h ARG 57 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.14 1vdy h ARG 57 CO -0.50 0.00 -0.44 -0.07 0.00 0.00 0.00 179.97 178.96 1vdy h LEU 58 N 0.00 0.05 0.00 3.04 -0.00 -1.25 -3.16 115.31 113.99 1vdy h LEU 58 Ca 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1vdy h LEU 58 Cb 0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1vdy h LEU 58 CO -0.00 0.48 -0.00 -0.78 -0.00 0.00 0.00 178.44 178.14 1vdy h ASP 59 N 0.04 -0.00 -0.43 -0.43 1.82 -1.55 -3.46 116.42 112.41 1vdy h ASP 59 Ca -0.00 -0.38 -0.70 0.00 -0.39 0.00 0.00 57.03 55.56 1vdy h ASP 59 Cb 0.79 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1vdy h ASP 59 CO 0.06 0.38 0.84 -3.20 -1.61 0.00 0.00 179.24 175.71 1vdy n ASN 60 N -4.91 0.83 -0.34 2.28 2.85 -1.19 -4.83 115.26 109.95 1vdy n ASN 60 Ca -0.08 0.79 0.26 0.00 -0.11 0.00 0.00 54.58 55.44 1vdy n ASN 60 Cb 0.20 -0.75 0.55 0.00 1.24 0.00 0.00 39.78 41.02 1vdy n ASN 60 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vdy h LYS 61 N 5.84 0.31 -6.49 1.20 1.79 -1.89 -3.42 116.57 113.91 1vdy h LYS 61 Ca -0.23 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.69 1vdy h LYS 61 Cb 1.17 -0.07 0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1vdy h LYS 61 CO 0.87 0.20 0.92 0.45 -1.08 0.00 0.00 179.45 180.81 1vdy s SER 62 N -5.15 6.66 0.38 0.86 0.15 -1.26 -4.91 113.70 110.43 1vdy s SER 62 Ca -0.08 2.45 0.08 0.00 0.70 0.00 0.00 55.95 59.09 1vdy s SER 62 Cb 0.26 -2.57 0.76 0.00 -1.71 0.00 0.00 66.02 62.75 1vdy s SER 62 CO 0.80 -0.82 1.94 1.55 1.20 0.00 0.00 173.24 177.91 1vdy h PRO 63 N 7.71 0.38 0.23 5.44 0.13 -1.91 -3.03 132.00 140.95 1vdy h PRO 63 Ca -0.42 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1vdy h PRO 63 Cb 1.20 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1vdy h PRO 63 CO 0.91 0.41 -0.46 0.82 -0.23 0.00 0.00 178.00 179.46 1vdy h ILE 64 N 0.37 0.10 -0.79 -3.56 2.04 -1.91 -1.50 117.51 112.26 1vdy h ILE 64 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.08 1vdy h ILE 64 Cb 0.26 0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 1vdy h ILE 64 CO 0.01 0.00 0.37 0.58 0.00 0.00 0.00 178.15 179.10 1vdy h VAL 65 N -0.77 0.71 0.59 1.67 2.07 -1.76 -2.31 116.25 116.45 1vdy h VAL 65 Ca -0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1vdy h VAL 65 Cb 0.75 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1vdy h VAL 65 CO -0.20 0.10 -0.28 0.11 0.02 0.00 0.00 177.57 177.32 1vdy h LYS 66 N 0.54 -0.76 -0.72 1.57 1.57 -1.35 -3.11 116.57 114.30 1vdy h LYS 66 Ca 0.43 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.40 1vdy h LYS 66 Cb 0.61 0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.96 1vdy h LYS 66 CO -0.37 -0.51 -0.17 0.37 -0.57 0.00 0.00 179.45 178.20 1vdy h GLN 67 N -0.95 0.00 -0.58 3.15 -0.00 -1.09 -0.15 115.11 115.48 1vdy h GLN 67 Ca -0.08 -0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.69 1vdy h GLN 67 Cb 0.61 -0.00 -0.10 0.00 0.00 0.00 0.00 27.48 27.99 1vdy h GLN 67 CO 0.13 0.00 -0.01 0.87 0.00 0.00 0.00 178.83 179.83 1vdy h LYS 68 N 0.00 0.10 -0.53 1.69 1.57 -1.49 -1.23 116.57 116.68 1vdy h LYS 68 Ca 0.35 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1vdy h LYS 68 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1vdy h LYS 68 CO -0.73 0.07 0.24 0.00 -0.57 0.00 0.00 179.45 178.45 1vdy h ALA 69 N 1.53 0.69 -0.38 3.86 0.00 -0.98 -3.07 119.26 120.92 1vdy h ALA 69 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1vdy h ALA 69 Cb 0.48 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1vdy h ALA 69 CO -0.51 0.27 -0.18 -0.07 0.00 0.00 0.00 179.25 178.76 1vdy h LEU 70 N 0.72 -0.63 -0.87 0.00 -0.00 -0.52 -1.22 115.31 112.79 1vdy h LEU 70 Ca 0.18 0.15 0.02 0.00 -0.00 0.00 0.00 57.88 58.23 1vdy h LEU 70 Cb 0.15 0.34 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 1vdy h LEU 70 CO -0.02 -0.22 0.57 -0.09 -0.00 0.00 0.00 178.44 178.68 1vdy h ARG 71 N -0.12 1.10 -0.32 1.13 1.12 -1.44 -2.36 114.38 113.49 1vdy h ARG 71 Ca 0.19 -0.07 -0.10 0.00 -1.11 0.00 0.00 59.98 58.89 1vdy h ARG 71 Cb 0.41 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1vdy h ARG 71 CO -0.45 0.73 -0.22 1.25 -3.11 0.00 0.00 179.97 178.17 1vdy h LEU 72 N 1.14 0.61 0.23 3.80 5.85 -1.20 -1.66 115.31 124.07 1vdy h LEU 72 Ca 0.33 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1vdy h LEU 72 Cb -0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1vdy h LEU 72 CO -0.09 0.83 -0.31 0.40 -0.34 0.00 0.00 178.44 178.93 1vdy h ILE 73 N 0.54 0.00 -0.81 4.05 2.04 -0.71 -0.00 117.51 122.62 1vdy h ILE 73 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1vdy h ILE 73 Cb 0.67 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1vdy h ILE 73 CO 0.05 0.00 0.53 0.07 0.00 0.00 0.00 178.15 178.80 1vdy h LYS 74 N -0.56 0.78 -0.41 2.37 2.10 -1.55 0.31 116.57 119.61 1vdy h LYS 74 Ca -0.03 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.53 1vdy h LYS 74 Cb 0.50 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1vdy h LYS 74 CO -0.08 0.51 0.06 -0.92 -2.00 0.00 0.00 179.45 177.03 1vdy h TYR 75 N 0.80 0.72 0.01 0.07 3.20 -0.89 -3.28 116.97 117.60 1vdy h TYR 75 Ca 0.36 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 1vdy h TYR 75 Cb 0.37 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.45 1vdy h TYR 75 CO -0.00 0.70 -0.57 0.00 -1.64 0.00 0.00 178.16 176.65 1vdy h ALA 76 N 0.93 0.05 -1.70 1.82 0.00 -0.38 -3.42 119.26 116.55 1vdy h ALA 76 Ca 0.12 -0.57 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 1vdy h ALA 76 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1vdy h ALA 76 CO 0.01 0.31 1.42 0.08 0.00 0.00 0.00 179.25 181.07 1vdy s VAL 77 N -3.10 3.26 0.00 0.00 1.01 0.10 -1.57 120.40 120.10 1vdy s VAL 77 Ca -0.14 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1vdy s VAL 77 Cb 0.03 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1vdy s VAL 77 CO 0.81 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1vdy n GLY 78 N 5.70 1.24 0.00 4.51 0.00 -1.26 -4.78 105.19 110.61 1vdy n GLY 78 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.92 0.20 1.61 2.85 -0.96 -4.89 118.16 117.89 1vdy n LYS 79 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1vdy n LYS 79 Cb 0.00 -0.64 0.41 0.00 -0.65 0.00 0.00 35.03 34.15 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 -3.28 -5.58 0.02 -1.53 -3.48 113.55 99.69 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 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1vdy h SER 80 CO 0.00 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1vdy n GLY 81 N -0.37 4.29 0.32 -3.77 0.00 -1.26 -3.92 105.19 100.49 1vdy n GLY 81 Ca -0.02 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 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 1.04 -0.47 1.61 0.02 -1.98 -3.09 113.55 110.68 1vdy h SER 82 Ca 0.00 -0.18 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1vdy h SER 82 Cb 0.00 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.19 1vdy h SER 82 CO 0.00 0.94 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.29 1vdy h GLU 83 N 1.08 0.10 -0.81 3.45 3.07 -2.00 -0.98 114.58 118.48 1vdy h GLU 83 Ca 0.25 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.17 1vdy h GLU 83 Cb 0.24 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.07 1vdy h GLU 83 CO -0.02 0.06 0.49 0.35 -1.40 0.00 0.00 179.01 178.49 1vdy h PHE 84 N 0.10 0.90 -0.69 4.33 3.57 -1.89 -1.35 116.94 121.91 1vdy h PHE 84 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1vdy h PHE 84 Cb 0.35 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1vdy h PHE 84 CO -0.31 0.44 0.35 -0.09 -2.23 0.00 0.00 178.31 176.47 1vdy h ARG 85 N 0.88 0.97 0.18 1.11 2.43 -1.25 -2.00 114.38 116.70 1vdy h ARG 85 Ca 0.36 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1vdy h ARG 85 Cb 0.21 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1vdy h ARG 85 CO -0.19 0.75 -0.15 0.00 -1.51 0.00 0.00 179.97 178.88 1vdy h ARG 86 N 0.95 -0.32 -0.88 0.20 2.47 -0.88 -1.87 114.38 114.04 1vdy h ARG 86 Ca 0.24 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.03 1vdy h ARG 86 Cb 0.08 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1vdy h ARG 86 CO -0.03 -0.22 0.55 0.93 0.56 0.00 0.00 179.97 181.76 1vdy h GLU 87 N -0.34 1.00 -0.78 0.04 4.39 -1.34 -0.64 114.58 116.91 1vdy h GLU 87 Ca -0.01 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.74 1vdy h GLU 87 Cb 0.31 -0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 1vdy h GLU 87 CO -0.02 0.66 0.42 0.52 -1.16 0.00 0.00 179.01 179.43 1vdy h MET 88 N 1.03 0.66 0.08 2.33 2.86 -0.83 -1.94 114.93 119.12 1vdy h MET 88 Ca 0.37 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1vdy h MET 88 Cb 0.12 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1vdy h MET 88 CO -0.16 0.44 -0.04 1.96 1.06 0.00 0.00 176.91 180.18 1vdy h GLN 89 N 0.68 -0.10 -0.75 1.72 4.20 -0.37 -1.48 115.11 119.01 1vdy h GLN 89 Ca 0.39 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.25 1vdy h GLN 89 Cb 0.42 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1vdy h GLN 89 CO -0.28 0.30 0.50 0.00 -0.67 0.00 0.00 178.83 178.68 1vdy h ARG 90 N -0.52 0.42 -0.41 1.46 3.08 -0.90 -1.98 114.38 115.54 1vdy h ARG 90 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vdy h ARG 90 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1vdy h ARG 90 CO 0.02 0.27 0.00 0.09 -1.07 0.00 0.00 179.97 179.28 1vdy n ASN 91 N -4.48 3.16 0.00 7.04 3.02 -0.76 -4.65 115.26 118.58 1vdy n ASN 91 Ca 0.14 -2.05 0.01 0.00 -0.03 0.00 0.00 54.58 52.65 1vdy n ASN 91 Cb 0.52 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1vdy n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vdy n SER 92 N 0.64 0.00 0.07 6.41 2.88 -0.56 -2.67 113.62 120.39 1vdy n SER 92 Ca 0.14 0.14 0.14 0.00 -1.33 0.00 0.00 58.87 57.97 1vdy n SER 92 Cb 0.48 -0.19 0.63 0.00 -0.75 0.00 0.00 64.21 64.39 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1vdy h VAL 93 N 0.00 0.86 0.18 2.46 3.04 -1.82 -0.10 116.25 120.87 1vdy h VAL 93 Ca 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1vdy h VAL 93 Cb 0.01 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1vdy h VAL 93 CO 0.00 0.02 -0.09 0.00 -1.01 0.00 0.00 177.57 176.49 1vdy h ALA 94 N 1.81 -0.24 -0.53 3.17 0.00 -1.91 -1.59 119.26 119.97 1vdy h ALA 94 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1vdy h ALA 94 Cb 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1vdy h ALA 94 CO -0.02 -0.53 -0.05 0.28 0.00 0.00 0.00 179.25 178.93 1vdy h VAL 95 N -0.45 1.26 -0.74 0.00 2.07 -1.60 -2.85 116.25 113.94 1vdy h VAL 95 Ca -0.02 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.40 1vdy h VAL 95 Cb 0.35 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1vdy h VAL 95 CO 0.04 0.41 0.48 0.03 0.02 0.00 0.00 177.57 178.56 1vdy h ARG 96 N 0.85 0.74 -0.00 1.57 3.08 -0.92 -0.89 114.38 118.81 1vdy h ARG 96 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1vdy h ARG 96 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1vdy h ARG 96 CO 0.03 0.49 -0.06 0.27 -1.07 0.00 0.00 179.97 179.63 1vdy n ASN 97 N -4.48 0.15 0.17 7.04 0.23 -0.61 -3.48 115.26 114.28 1vdy n ASN 97 Ca 0.11 -0.08 0.10 0.00 -0.53 0.00 0.00 54.58 54.17 1vdy n ASN 97 Cb 0.23 -0.25 0.09 0.00 -2.08 0.00 0.00 39.78 37.78 1vdy n ASN 97 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1vdy h LEU 98 N 0.13 0.00 -1.78 -4.53 3.38 -1.09 -3.30 115.31 108.13 1vdy h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vdy h LEU 98 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1vdy h LEU 98 CO 0.00 0.12 0.31 -0.26 0.09 0.00 0.00 178.44 178.70 1vdy h PHE 99 N 0.00 0.00 0.00 1.13 0.04 -1.62 0.48 116.94 116.97 1vdy h PHE 99 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1vdy h PHE 99 Cb 1.10 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.17 1vdy h PHE 99 CO 0.00 0.00 -0.48 -2.39 -0.60 0.00 0.00 178.31 174.84 1vdy n HIS 100 N -2.71 0.00 -2.01 -0.55 1.44 -1.25 -5.00 115.22 105.14 1vdy n HIS 100 Ca -0.02 -0.60 -0.26 0.00 -2.01 0.00 0.00 57.72 54.83 1vdy n HIS 100 Cb 0.35 -0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.26 1.82 0.13 -1.40 5.04 0.16 -4.75 117.35 117.08 1vdy s TYR 101 Ca 0.22 0.70 0.29 0.00 -2.44 0.00 0.00 57.07 55.84 1vdy s TYR 101 Cb 0.21 -3.96 1.17 0.00 0.35 0.00 0.00 41.96 39.73 1vdy s TYR 101 CO -0.04 -1.42 1.92 1.57 -1.34 0.00 0.00 175.55 176.24 1vdy h LYS 102 N 10.61 0.00 0.00 4.97 2.10 -1.93 -3.46 116.57 128.86 1vdy h LYS 102 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1vdy h LYS 102 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1vdy h LYS 102 CO 1.20 0.11 0.00 0.41 -2.00 0.00 0.00 179.45 179.16 1vdy n GLY 103 N 0.05 2.18 3.18 0.07 0.00 -1.26 -4.70 105.19 104.71 1vdy n GLY 103 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 0.05 1.61 -3.43 -1.26 -5.13 115.29 106.76 1vdy s HIS 104 Ca 0.00 0.88 -0.30 0.00 -0.80 0.00 0.00 55.06 54.83 1vdy s HIS 104 Cb 0.00 0.12 -0.08 0.00 -1.43 0.00 0.00 32.58 31.19 1vdy s HIS 104 CO 0.00 -0.20 1.70 -1.25 -2.00 0.00 0.00 174.74 173.00 1vdy s PRO 105 N 0.49 4.18 0.41 -0.38 0.04 -1.26 -4.86 135.00 133.61 1vdy s PRO 105 Ca -0.03 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 1vdy s PRO 105 Cb -0.04 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.68 1vdy s PRO 105 CO -0.03 -0.79 1.20 -0.51 0.04 0.00 0.00 177.00 176.91 1vdy s ASP 106 N 2.84 6.45 0.53 6.66 1.11 -0.84 -4.81 116.67 128.60 1vdy s ASP 106 Ca 0.76 2.41 0.28 0.00 0.18 0.00 0.00 52.55 56.18 1vdy s ASP 106 Cb -0.39 -2.62 1.47 0.00 1.07 0.00 0.00 42.92 42.45 1vdy s ASP 106 CO 0.33 -0.73 2.08 1.55 1.18 0.00 0.00 175.17 179.58 1vdy h PRO 107 N 2.60 0.00 0.00 8.23 0.13 -1.93 0.17 132.00 141.21 1vdy h PRO 107 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vdy h PRO 107 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1vdy h PRO 107 CO 0.62 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.78 1vdy n LEU 108 N -3.64 0.24 0.26 1.56 4.32 -1.26 -4.65 117.00 113.82 1vdy n LEU 108 Ca -0.02 0.22 0.15 0.00 -0.02 0.00 0.00 56.01 56.35 1vdy n LEU 108 Cb 0.23 -0.42 0.50 0.00 -1.62 0.00 0.00 43.42 42.11 1vdy n LEU 108 CO 0.30 -0.42 0.93 0.11 -1.22 0.00 0.00 177.39 177.08 1vdy h LYS 109 N 0.00 0.00 0.00 3.23 1.79 -1.97 -3.50 116.57 116.12 1vdy h LYS 109 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vdy h LYS 109 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vdy h LYS 109 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1vdy n GLY 110 N 0.42 -0.47 2.79 3.86 0.00 0.61 -3.83 105.19 108.57 1vdy n GLY 110 Ca 0.02 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.65 4.25 0.04 1.61 8.00 -1.26 -1.99 116.55 126.55 1vdy n ASP 111 Ca 0.00 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.58 1vdy n ASP 111 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdy n ALA 112 N 5.50 3.00 -0.07 2.24 0.00 -1.25 -4.49 120.51 125.44 1vdy n ALA 112 Ca 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 1vdy n ALA 112 Cb 0.38 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N 0.00 0.01 -1.38 0.00 3.38 -1.84 -2.43 115.31 113.05 1vdy h LEU 113 Ca 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1vdy h LEU 113 Cb 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vdy h LEU 113 CO 0.00 0.04 -0.30 -0.55 0.09 0.00 0.00 178.44 177.72 1vdy h ASN 114 N 0.15 0.01 -0.26 -0.43 7.08 -1.88 -2.92 115.58 117.33 1vdy h ASN 114 Ca 0.13 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.32 1vdy h ASN 114 Cb 0.13 -0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.36 1vdy h ASN 114 CO -0.17 0.31 0.07 0.50 -2.08 0.00 0.00 177.43 176.06 1vdy h LYS 115 N 0.01 0.42 -0.08 4.14 3.11 -1.67 -2.86 116.57 119.63 1vdy h LYS 115 Ca -0.00 -0.10 0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1vdy h LYS 115 Cb 0.54 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1vdy h LYS 115 CO 0.04 0.51 0.06 0.00 -2.81 0.00 0.00 179.45 177.25 1vdy h ALA 116 N 0.89 2.00 0.39 5.00 0.00 -1.30 -2.86 119.26 123.39 1vdy h ALA 116 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1vdy h ALA 116 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1vdy h ALA 116 CO 0.00 -0.11 -0.27 0.28 0.00 0.00 0.00 179.25 179.15 1vdy h VAL 117 N 0.00 0.00 0.00 0.00 2.07 -1.52 -2.38 116.25 114.42 1vdy h VAL 117 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1vdy h VAL 117 Cb 0.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1vdy h VAL 117 CO -0.00 0.00 -0.17 0.08 0.02 0.00 0.00 177.57 177.50 1vdy h ARG 118 N -0.63 0.00 0.52 1.57 -0.00 -1.64 -0.39 114.38 113.80 1vdy h ARG 118 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.90 1vdy h ARG 118 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.49 1vdy h ARG 118 CO 0.03 0.17 -0.25 0.93 -0.00 0.00 0.00 179.97 180.85 1vdy h GLU 119 N 0.00 -0.67 -0.35 0.08 5.08 -1.38 -2.30 114.58 115.04 1vdy h GLU 119 Ca -0.00 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1vdy h GLU 119 Cb 0.43 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1vdy h GLU 119 CO 0.02 -0.40 0.24 1.15 -1.00 0.00 0.00 179.01 179.01 1vdy h THR 120 N -0.79 1.00 -0.49 1.13 2.02 -1.17 -2.10 112.91 112.51 1vdy h THR 120 Ca -0.07 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 67.13 1vdy h THR 120 Cb 0.57 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1vdy h THR 120 CO 0.12 0.06 0.35 0.00 0.37 0.00 0.00 175.52 176.41 1vdy h ALA 121 N 1.80 2.38 0.26 6.16 0.00 -0.47 -1.44 119.26 127.96 1vdy h ALA 121 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vdy h ALA 121 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vdy h ALA 121 CO -0.03 -0.52 -0.13 0.45 0.00 0.00 0.00 179.25 179.02 1vdy h HIS 122 N 0.06 -0.33 -1.01 0.00 3.86 -1.33 -2.02 115.15 114.38 1vdy h HIS 122 Ca 0.23 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.56 1vdy h HIS 122 Cb 0.85 0.11 -0.09 0.00 1.06 0.00 0.00 27.41 29.34 1vdy h HIS 122 CO -0.00 0.04 0.63 0.93 0.86 0.00 0.00 177.93 180.39 1vdy h GLU 123 N -0.85 0.94 0.80 2.45 3.07 -1.54 -0.98 114.58 118.46 1vdy h GLU 123 Ca -0.04 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 1vdy h GLU 123 Cb 0.51 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1vdy h GLU 123 CO 0.06 0.62 -0.38 1.15 -1.40 0.00 0.00 179.01 179.06 1vdy h THR 124 N 0.97 0.17 -0.96 1.13 2.02 -1.29 -2.82 112.91 112.13 1vdy h THR 124 Ca 0.51 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.74 1vdy h THR 124 Cb 0.55 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1vdy h THR 124 CO -0.28 0.01 0.61 0.40 0.37 0.00 0.00 175.52 176.63 1vdy h ILE 125 N -1.13 0.88 -0.59 3.11 1.08 -0.64 -1.22 117.51 118.99 1vdy h ILE 125 Ca -0.11 -0.30 0.09 0.00 -0.39 0.00 0.00 64.86 64.15 1vdy h ILE 125 Cb 0.83 -0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1vdy h ILE 125 CO 0.18 0.16 0.20 -1.28 -0.69 0.00 0.00 178.15 176.72 1vdy h SER 126 N 0.87 0.17 1.22 1.72 0.87 -1.08 -1.66 113.55 115.68 1vdy h SER 126 Ca 0.48 0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.97 1vdy h SER 126 Cb 0.59 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1vdy h SER 126 CO -0.25 0.11 -0.75 0.00 -0.53 0.00 0.00 176.83 175.41 1vdy h ALA 127 N 1.42 0.52 0.18 6.23 0.00 -1.02 -3.05 119.26 123.54 1vdy h ALA 127 Ca 0.30 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1vdy h ALA 127 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vdy h ALA 127 CO -0.32 0.94 -0.09 0.82 0.00 0.00 0.00 179.25 180.61 1vdy h ILE 128 N 0.00 0.89 -1.07 0.00 2.04 -0.57 -3.09 117.51 115.71 1vdy h ILE 128 Ca -0.01 -0.33 -0.57 0.00 1.00 0.00 0.00 64.86 64.95 1vdy h ILE 128 Cb 1.56 1.10 -0.23 0.00 -0.74 0.00 0.00 36.82 38.52 1vdy h ILE 128 CO 0.10 0.08 0.71 0.49 0.00 0.00 0.00 178.15 179.52 1vdy n PHE 129 N -5.12 2.44 -3.83 1.37 3.72 -0.69 -4.87 117.46 110.48 1vdy n PHE 129 Ca -0.09 -2.41 -0.35 0.00 -0.05 0.00 0.00 57.45 54.55 1vdy n PHE 129 Cb 0.17 -1.26 -0.10 0.00 -0.94 0.00 0.00 39.48 37.36 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 -0.75 5.83 -0.42 4.37 0.15 -1.15 -4.95 113.70 116.78 1vdy s SER 130 Ca 0.52 0.09 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1vdy s SER 130 Cb 0.40 -2.02 0.15 0.00 -1.71 0.00 0.00 66.02 62.84 1vdy s SER 130 CO -0.13 0.12 0.27 -1.61 1.20 0.00 0.00 173.24 173.10 1vdy s GLU 131 N 0.69 1.04 0.29 5.44 2.02 -1.26 -5.01 118.70 121.91 1vdy s GLU 131 Ca 0.05 -1.91 0.04 0.00 0.02 0.00 0.00 54.97 53.17 1vdy s GLU 131 Cb -0.13 -1.86 0.71 0.00 0.10 0.00 0.00 34.13 32.95 1vdy s GLU 131 CO 0.01 -1.24 1.73 1.49 0.02 0.00 0.00 175.26 177.28 1vdy h GLU 132 N 6.46 0.54 -2.86 1.61 4.57 -2.01 -3.38 114.58 119.52 1vdy h GLU 132 Ca 0.09 -0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.98 1vdy h GLU 132 Cb 0.92 -0.12 -0.34 0.00 -0.16 0.00 0.00 28.75 29.05 1vdy h GLU 132 CO 0.40 0.36 -0.58 1.21 -1.18 0.00 0.00 179.01 179.22 1vdy s ASN 133 N -5.29 0.68 0.98 1.04 2.47 -1.26 -5.16 114.94 108.40 1vdy s ASN 133 Ca -0.11 0.35 -0.12 0.00 0.42 0.00 0.00 52.86 53.40 1vdy s ASN 133 Cb 0.25 0.51 0.18 0.00 -1.45 0.00 0.00 41.25 40.73 1vdy s ASN 133 CO 0.79 -0.26 1.08 -0.83 -3.72 0.00 0.00 177.10 174.16 1vdy s GLY 134 N 2.36 1.61 0.51 1.21 0.00 -1.26 -5.08 107.32 106.67 1vdy s GLY 134 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1vdy s GLY 134 CO -0.08 0.57 0.02 -0.56 0.00 0.00 0.00 173.10 173.05 1vdy s SER 135 N -3.03 3.99 0.65 1.64 0.01 -1.26 -5.13 113.70 110.56 1vdy s SER 135 Ca 0.65 -1.70 -0.17 0.00 1.31 0.00 0.00 55.95 56.04 1vdy s SER 135 Cb -0.21 0.66 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 1vdy s SER 135 CO 0.59 -0.93 1.23 -0.83 0.41 0.00 0.00 173.24 173.72 1vdy s GLY 136 N -3.86 2.66 0.00 3.44 0.00 -1.26 -4.89 107.32 103.41 1vdy s GLY 136 Ca 0.04 1.03 0.16 0.00 0.00 0.00 0.00 44.72 45.95 1vdy s GLY 136 CO 0.03 1.44 1.37 -1.55 0.00 0.00 0.00 173.10 174.38 1vdy n PRO 137 N -1.99 0.47 -2.00 2.90 -0.04 -1.26 -4.65 135.00 128.43 1vdy n PRO 137 Ca 0.14 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 1vdy n PRO 137 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1vdy n PRO 137 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1vdy s SER 138 N -2.05 5.19 -0.23 3.54 0.01 -1.26 -4.91 113.70 113.98 1vdy s SER 138 Ca 0.23 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.84 1vdy s SER 138 Cb 0.11 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.85 1vdy s SER 138 CO 0.19 -2.45 -0.12 -0.44 0.41 0.00 0.00 173.24 170.83 1vdy s SER 139 N 8.44 3.99 0.00 2.44 0.01 -1.26 -5.18 113.70 122.14 1vdy s SER 139 Ca 0.70 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1vdy s SER 139 Cb -0.13 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1vdy s SER 139 CO 0.20 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.35