#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 0.33 0.54 1.61 0.15 -1.26 -5.03 113.70 110.05 1vdy s SER 2 Ca 0.00 -1.01 0.25 0.00 0.70 0.00 0.00 55.95 55.89 1vdy s SER 2 Cb 0.00 1.04 1.51 0.00 -1.71 0.00 0.00 66.02 66.86 1vdy s SER 2 CO 0.00 -0.27 2.14 0.28 1.20 0.00 0.00 173.24 176.59 1vdy h SER 3 N 7.42 0.00 0.00 5.45 0.02 -2.12 -3.44 113.55 120.88 1vdy h SER 3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 3 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1vdy h SER 3 CO 0.20 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1vdy n GLY 4 N -1.09 1.30 2.81 -3.77 0.00 -1.26 -5.15 105.19 98.03 1vdy n GLY 4 Ca -0.03 0.44 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 1vdy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy s SER 5 N 0.00 1.18 0.00 1.61 0.01 -1.26 -5.04 113.70 110.20 1vdy s SER 5 Ca 0.00 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.91 1vdy s SER 5 Cb 0.00 0.68 0.44 0.00 0.21 0.00 0.00 66.02 67.36 1vdy s SER 5 CO 0.00 -0.36 0.85 -1.20 0.41 0.00 0.00 173.24 172.95 1vdy n SER 6 N 5.33 0.00 -0.42 2.44 7.64 -1.26 -4.97 113.62 122.39 1vdy n SER 6 Ca -0.03 -0.49 0.05 0.00 1.01 0.00 0.00 58.87 59.41 1vdy n SER 6 Cb 0.48 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.23 -2.28 2.23 0.23 0.00 -1.26 -4.88 105.19 99.01 1vdy n GLY 7 Ca 0.06 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.95 -2.10 -0.13 1.61 4.71 -1.26 -4.83 120.64 115.68 1vdy n GLU 8 Ca -0.01 0.44 0.11 0.00 -0.01 0.00 0.00 57.16 57.69 1vdy n GLU 8 Cb 0.19 -4.90 0.46 0.00 -1.01 0.00 0.00 31.44 26.19 1vdy n GLU 8 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1vdy h SER 9 N 0.00 0.46 -0.87 1.62 0.87 -1.98 -2.37 113.55 111.28 1vdy h SER 9 Ca -0.20 0.01 0.18 0.00 -1.23 0.00 0.00 61.79 60.56 1vdy h SER 9 Cb 0.98 -0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 62.75 1vdy h SER 9 CO 0.25 0.27 0.42 0.10 -0.53 0.00 0.00 176.83 177.33 1vdy h TYR 10 N 0.51 0.71 0.65 2.24 -0.00 -1.99 -0.69 116.97 118.41 1vdy h TYR 10 Ca 0.31 0.04 -0.03 0.00 0.00 0.00 0.00 58.73 59.05 1vdy h TYR 10 Cb 0.55 -0.18 0.01 0.00 0.00 0.00 0.00 36.73 37.10 1vdy h TYR 10 CO -0.00 0.07 -0.31 2.35 -0.00 0.00 0.00 178.16 180.27 1vdy h TRP 11 N 0.51 -0.81 -0.09 0.10 -0.00 -1.82 -1.28 115.95 112.56 1vdy h TRP 11 Ca 0.51 -0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.42 1vdy h TRP 11 Cb 0.86 0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 30.24 1vdy h TRP 11 CO -0.11 -0.50 -0.19 0.00 -0.00 0.00 0.00 178.44 177.63 1vdy h ARG 12 N -0.99 -0.25 -0.17 2.65 3.08 -1.61 -2.86 114.38 114.23 1vdy h ARG 12 Ca -0.09 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1vdy h ARG 12 Cb 0.67 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1vdy h ARG 12 CO 0.15 -0.17 -0.01 0.66 -1.07 0.00 0.00 179.97 179.53 1vdy h SER 13 N -0.26 -0.09 -1.15 7.04 4.64 -1.19 -2.88 113.55 119.66 1vdy h SER 13 Ca 0.08 0.04 0.32 0.00 -0.47 0.00 0.00 61.79 61.77 1vdy h SER 13 Cb 0.38 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.47 1vdy h SER 13 CO -0.24 -0.02 0.79 0.03 -0.87 0.00 0.00 176.83 176.52 1vdy h ARG 14 N 0.04 0.16 0.54 4.77 2.47 -0.98 0.14 114.38 121.51 1vdy h ARG 14 Ca 0.08 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1vdy h ARG 14 Cb 0.10 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1vdy h ARG 14 CO -0.14 0.11 -0.26 0.52 0.56 0.00 0.00 179.97 180.75 1vdy h MET 15 N 0.17 -0.69 -0.40 0.04 2.86 -1.52 -2.57 114.93 112.81 1vdy h MET 15 Ca 0.61 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.31 1vdy h MET 15 Cb 2.01 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.81 1vdy h MET 15 CO -0.16 -0.39 0.25 0.82 1.06 0.00 0.00 176.91 178.48 1vdy h ILE 16 N -1.06 1.06 -0.98 -1.22 1.08 -1.37 -2.81 117.51 112.22 1vdy h ILE 16 Ca -0.07 -0.17 0.21 0.00 -0.39 0.00 0.00 64.86 64.44 1vdy h ILE 16 Cb 0.62 0.52 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 1vdy h ILE 16 CO 0.12 0.09 0.62 -0.78 -0.69 0.00 0.00 178.15 177.51 1vdy h ASP 17 N 0.50 0.58 1.42 1.72 1.82 -0.81 -0.02 116.42 121.63 1vdy h ASP 17 Ca 0.15 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 1vdy h ASP 17 Cb -0.02 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1vdy h ASP 17 CO -0.06 0.20 -0.14 0.00 -1.61 0.00 0.00 179.24 177.63 1vdy h ALA 18 N 1.63 0.95 -0.01 -0.78 0.00 -1.18 -2.21 119.26 117.66 1vdy h ALA 18 Ca 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1vdy h ALA 18 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1vdy h ALA 18 CO -0.29 0.17 -0.13 1.33 0.00 0.00 0.00 179.25 180.33 1vdy n VAL 19 N -3.19 0.00 -0.26 0.00 0.24 -0.40 -4.49 118.33 110.24 1vdy n VAL 19 Ca 0.02 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.90 1vdy n VAL 19 Cb 0.48 1.13 0.02 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.08 1.01 -1.51 3.34 -2.24 -0.16 -4.63 114.28 110.01 1vdy n THR 20 Ca 0.04 -1.06 -0.39 0.00 -2.27 0.00 0.00 64.05 60.37 1vdy n THR 20 Cb 0.19 0.45 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1vdy n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vdy n SER 21 N -0.57 -0.32 -3.69 3.42 7.64 -0.83 -4.74 113.62 114.53 1vdy n SER 21 Ca 0.02 0.83 -0.42 0.00 1.01 0.00 0.00 58.87 60.31 1vdy n SER 21 Cb 0.33 -1.23 -0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1vdy n SER 21 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vdy n ASP 22 N 0.41 5.22 -3.75 6.43 -0.08 -1.26 -4.57 116.55 118.94 1vdy n ASP 22 Ca 0.12 -2.90 -0.15 0.00 -1.51 0.00 0.00 54.79 50.35 1vdy n ASP 22 Cb 0.45 -1.57 -0.15 0.00 2.34 0.00 0.00 41.12 42.18 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1vdy s GLU 23 N 1.95 0.01 0.52 -0.67 2.12 -1.26 -5.05 118.70 116.33 1vdy s GLU 23 Ca 0.49 0.29 0.35 0.00 0.36 0.00 0.00 54.97 56.45 1vdy s GLU 23 Cb 0.14 -0.24 1.63 0.00 0.26 0.00 0.00 34.13 35.92 1vdy s GLU 23 CO -0.06 -0.18 2.04 0.38 -0.54 0.00 0.00 175.26 176.89 1vdy h ASP 24 N 7.38 0.00 -1.71 -1.70 3.04 -2.00 -3.43 116.42 118.01 1vdy h ASP 24 Ca -0.42 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 52.78 1vdy h ASP 24 Cb 1.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.41 1vdy h ASP 24 CO 0.43 0.00 1.51 1.17 -2.04 0.00 0.00 179.24 180.30 1vdy n LYS 25 N -2.87 1.62 -1.65 4.15 3.00 -1.26 -4.86 118.16 116.28 1vdy n LYS 25 Ca -0.01 0.40 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 1vdy n LYS 25 Cb 0.19 -3.08 -0.03 0.00 0.00 0.00 0.00 35.03 32.11 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 7.68 0.73 -1.64 3.15 3.14 -1.26 -4.91 118.33 125.22 1vdy n VAL 26 Ca 0.34 -0.18 -0.40 0.00 -2.96 0.00 0.00 64.34 61.14 1vdy n VAL 26 Cb 0.41 -2.36 0.03 0.00 -1.06 0.00 0.00 33.84 30.86 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy n ALA 27 N 8.04 0.51 -1.53 1.55 0.00 -1.26 -5.01 120.51 122.81 1vdy n ALA 27 Ca 0.21 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1vdy n ALA 27 Cb 0.41 -2.15 0.22 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.33 -0.41 -0.15 0.00 0.04 -1.26 -5.02 135.00 125.86 1vdy s PRO 28 Ca 0.67 -0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.20 1vdy s PRO 28 Cb -0.49 -1.71 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 1vdy s PRO 28 CO 0.54 -3.13 0.39 0.28 0.04 0.00 0.00 177.00 175.12 1vdy h VAL 29 N -2.16 1.06 -0.99 -0.36 2.07 -2.02 -3.39 116.25 110.47 1vdy h VAL 29 Ca -0.44 -1.92 0.27 0.00 0.82 0.00 0.00 66.70 65.43 1vdy h VAL 29 Cb 1.25 2.13 -0.13 0.00 -1.52 0.00 0.00 31.29 33.02 1vdy h VAL 29 CO 0.33 0.36 0.56 0.10 0.02 0.00 0.00 177.57 178.94 1vdy h TYR 30 N -1.00 0.95 0.00 1.57 -0.00 -2.00 0.13 116.97 116.62 1vdy h TYR 30 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.68 1vdy h TYR 30 Cb 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 36.73 37.32 1vdy h TYR 30 CO 0.13 -0.04 0.00 0.87 -0.00 0.00 0.00 178.16 179.13 1vdy h LYS 31 N 0.47 0.00 0.16 0.10 1.57 -1.98 -2.50 116.57 114.39 1vdy h LYS 31 Ca 0.67 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.24 1vdy h LYS 31 Cb 1.37 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.70 1vdy h LYS 31 CO -0.53 0.00 -0.94 -0.07 -0.57 0.00 0.00 179.45 177.34 1vdy h LEU 32 N 0.00 0.52 -1.10 2.94 3.38 -0.94 -3.33 115.31 116.78 1vdy h LEU 32 Ca 0.00 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 57.04 1vdy h LEU 32 Cb 0.49 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1vdy h LEU 32 CO 0.00 1.45 0.61 -0.33 0.09 0.00 0.00 178.44 180.26 1vdy h GLU 33 N -0.30 1.19 -0.77 1.13 5.08 -1.30 -2.64 114.58 116.97 1vdy h GLU 33 Ca -0.17 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1vdy h GLU 33 Cb 1.72 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1vdy h GLU 33 CO 0.16 0.79 0.51 1.05 -1.00 0.00 0.00 179.01 180.52 1vdy h GLU 34 N 1.22 1.01 0.08 2.33 4.11 -1.57 -1.44 114.58 120.31 1vdy h GLU 34 Ca 0.34 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.74 1vdy h GLU 34 Cb -0.11 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.87 1vdy h GLU 34 CO -0.08 0.67 -0.35 0.82 0.07 0.00 0.00 179.01 180.13 1vdy h ILE 35 N 1.04 0.26 0.12 -1.06 2.04 -1.57 0.13 117.51 118.46 1vdy h ILE 35 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1vdy h ILE 35 Cb -0.11 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1vdy h ILE 35 CO -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.85 1vdy h ASP 37 N -0.43 0.02 0.10 0.00 3.32 -0.98 -2.07 116.42 116.38 1vdy h ASP 37 Ca 0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1vdy h ASP 37 Cb 0.45 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1vdy h ASP 37 CO -0.13 0.02 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.29 1vdy h LEU 38 N 0.03 -0.11 -0.71 1.55 -0.00 -0.17 -3.09 115.31 112.80 1vdy h LEU 38 Ca 0.04 -0.46 0.08 0.00 -0.00 0.00 0.00 57.88 57.54 1vdy h LEU 38 Cb 0.12 0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 40.71 1vdy h LEU 38 CO -0.00 0.52 -0.54 -0.07 -0.00 0.00 0.00 178.44 178.34 1vdy h LEU 39 N -0.88 -1.92 -1.69 1.67 3.38 -0.43 0.33 115.31 115.78 1vdy h LEU 39 Ca -0.01 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1vdy h LEU 39 Cb 0.56 0.83 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1vdy h LEU 39 CO 0.02 -0.32 0.00 0.08 0.09 0.00 0.00 178.44 178.32 1vdy h ARG 40 N -0.19 0.00 -0.03 1.13 0.11 -1.52 -2.33 114.38 111.56 1vdy h ARG 40 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1vdy h ARG 40 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1vdy h ARG 40 CO -0.77 0.00 -0.02 0.43 0.10 0.00 0.00 179.97 179.70 1vdy n SER 41 N -2.87 2.84 0.00 0.08 7.64 -0.14 -4.89 113.62 116.28 1vdy n SER 41 Ca -0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1vdy n SER 41 Cb 0.21 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1vdy n SER 41 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vdy n SER 42 N 1.21 0.00 -3.66 6.43 7.64 -0.08 -5.04 113.62 120.12 1vdy n SER 42 Ca 0.13 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.89 1vdy n SER 42 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1vdy n SER 42 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1vdy s HIS 43 N 2.18 -0.24 0.30 1.43 2.46 -1.26 -5.05 115.29 115.11 1vdy s HIS 43 Ca 0.00 0.10 0.06 0.00 0.47 0.00 0.00 55.06 55.70 1vdy s HIS 43 Cb 0.00 0.23 0.81 0.00 -0.13 0.00 0.00 32.58 33.49 1vdy s HIS 43 CO 0.00 -0.62 1.70 -0.24 -2.47 0.00 0.00 174.74 173.12 1vdy h VAL 44 N 2.79 0.48 -0.26 0.89 3.04 -1.99 0.99 116.25 122.19 1vdy h VAL 44 Ca -0.32 -0.15 0.06 0.00 -1.01 0.00 0.00 66.70 65.27 1vdy h VAL 44 Cb 1.22 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 30.43 1vdy h VAL 44 CO 0.45 0.08 -0.15 -1.28 -1.01 0.00 0.00 177.57 175.66 1vdy h SER 45 N 0.45 -0.48 -0.31 3.17 0.87 -1.99 -0.74 113.55 114.51 1vdy h SER 45 Ca 0.60 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1vdy h SER 45 Cb 1.16 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1vdy h SER 45 CO -0.52 -0.18 0.19 0.40 -0.53 0.00 0.00 176.83 176.19 1vdy h ILE 46 N -0.12 1.10 -0.74 2.23 1.08 -1.24 0.11 117.51 119.94 1vdy h ILE 46 Ca 0.14 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1vdy h ILE 46 Cb 0.33 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 1vdy h ILE 46 CO -0.33 0.10 0.49 0.58 -0.69 0.00 0.00 178.15 178.30 1vdy h VAL 47 N 0.40 1.09 -0.01 1.67 2.07 -0.58 0.37 116.25 121.27 1vdy h VAL 47 Ca 0.11 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1vdy h VAL 47 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1vdy h VAL 47 CO -0.02 0.16 -0.13 0.11 0.02 0.00 0.00 177.57 177.71 1vdy h LYS 48 N 0.87 0.11 -0.96 1.57 1.57 -0.69 -3.31 116.57 115.73 1vdy h LYS 48 Ca 0.30 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1vdy h LYS 48 Cb 0.11 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1vdy h LYS 48 CO -0.09 0.80 0.62 0.93 -0.57 0.00 0.00 179.45 181.14 1vdy h GLU 49 N -0.54 0.98 -0.79 3.15 5.08 -0.25 -2.24 114.58 119.98 1vdy h GLU 49 Ca -0.01 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1vdy h GLU 49 Cb 0.84 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1vdy h GLU 49 CO 0.03 0.65 0.48 0.74 -1.00 0.00 0.00 179.01 179.90 1vdy h PHE 50 N 1.01 0.89 -0.92 4.33 -1.00 -1.03 -2.17 116.94 118.05 1vdy h PHE 50 Ca 0.44 0.03 0.10 0.00 2.81 0.00 0.00 57.97 61.35 1vdy h PHE 50 Cb 0.36 -0.28 -0.08 0.00 3.61 0.00 0.00 35.95 39.56 1vdy h PHE 50 CO -0.00 0.46 0.56 0.66 -1.61 0.00 0.00 178.31 178.37 1vdy h SER 51 N 0.89 0.82 0.07 2.17 4.64 -1.49 -2.10 113.55 118.55 1vdy h SER 51 Ca 0.34 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1vdy h SER 51 Cb 0.15 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1vdy h SER 51 CO -0.16 0.46 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.80 1vdy h GLU 52 N 0.91 -0.23 -0.69 4.77 4.39 -1.44 -1.79 114.58 120.50 1vdy h GLU 52 Ca 0.45 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 1vdy h GLU 52 Cb 0.40 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1vdy h GLU 52 CO -0.25 -0.15 0.22 0.74 -1.16 0.00 0.00 179.01 178.41 1vdy h PHE 53 N -0.24 1.09 -0.31 4.33 0.04 -1.37 -2.37 116.94 118.11 1vdy h PHE 53 Ca 0.02 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1vdy h PHE 53 Cb 0.25 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1vdy h PHE 53 CO -0.14 0.86 0.20 0.82 -0.60 0.00 0.00 178.31 179.45 1vdy h ILE 54 N 1.02 1.07 -0.94 -0.55 2.04 -1.10 -2.71 117.51 116.33 1vdy h ILE 54 Ca 0.23 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1vdy h ILE 54 Cb 0.28 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1vdy h ILE 54 CO -0.01 0.07 0.61 -0.07 0.00 0.00 0.00 178.15 178.76 1vdy h LEU 55 N 0.41 0.99 -2.02 1.44 3.38 -0.94 -1.63 115.31 116.95 1vdy h LEU 55 Ca 0.12 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.22 1vdy h LEU 55 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1vdy h LEU 55 CO -0.03 0.67 0.36 0.11 0.09 0.00 0.00 178.44 179.63 1vdy h LYS 56 N 1.14 0.00 0.00 1.13 1.79 -1.10 -0.41 116.57 119.12 1vdy h LYS 56 Ca 0.38 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.79 1vdy h LYS 56 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1vdy h LYS 56 CO -0.13 0.00 -0.30 0.00 -1.08 0.00 0.00 179.45 177.94 1vdy h ARG 57 N 0.00 0.00 0.00 3.15 2.47 -1.32 -3.13 114.38 115.55 1vdy h ARG 57 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1vdy h ARG 57 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1vdy h ARG 57 CO -0.00 0.30 0.00 1.28 0.56 0.00 0.00 179.97 182.11 1vdy n LEU 58 N -3.59 0.52 0.06 3.04 7.99 -0.16 -3.04 117.00 121.81 1vdy n LEU 58 Ca -0.01 0.61 -0.05 0.00 -0.01 0.00 0.00 56.01 56.56 1vdy n LEU 58 Cb 0.43 -0.53 -0.09 0.00 -0.11 0.00 0.00 43.42 43.12 1vdy n LEU 58 CO 0.35 -0.43 0.04 -0.78 -1.51 0.00 0.00 177.39 175.06 1vdy h ASP 59 N 0.00 0.00 -3.27 -1.43 3.58 -1.66 -3.47 116.42 110.17 1vdy h ASP 59 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1vdy h ASP 59 Cb 0.39 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.56 1vdy h ASP 59 CO 0.00 0.87 0.41 -3.20 -2.88 0.00 0.00 179.24 174.45 1vdy n ASN 60 N -3.23 2.34 -0.14 2.28 2.85 -1.17 -4.94 115.26 113.24 1vdy n ASN 60 Ca -0.04 1.15 -0.09 0.00 -0.11 0.00 0.00 54.58 55.49 1vdy n ASN 60 Cb 0.92 -1.45 0.06 0.00 1.24 0.00 0.00 39.78 40.54 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 2.20 0.92 -6.28 1.20 1.63 -1.91 -3.45 116.57 110.88 1vdy h LYS 61 Ca -0.46 -0.34 -0.64 0.00 -0.85 0.00 0.00 60.65 58.36 1vdy h LYS 61 Cb 1.30 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.90 1vdy h LYS 61 CO 0.61 1.00 0.99 0.43 -3.45 0.00 0.00 179.45 179.02 1vdy n SER 62 N -4.14 3.09 0.09 4.20 7.64 -1.26 -4.90 113.62 118.34 1vdy n SER 62 Ca 0.01 1.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 1vdy n SER 62 Cb 0.41 -1.32 0.28 0.00 -1.01 0.00 0.00 64.21 62.56 1vdy n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vdy h PRO 63 N 8.15 0.29 0.18 1.43 0.13 -1.91 -2.89 132.00 137.38 1vdy h PRO 63 Ca -0.48 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1vdy h PRO 63 Cb 1.28 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1vdy h PRO 63 CO 0.94 0.55 -0.37 0.82 -0.23 0.00 0.00 178.00 179.70 1vdy h ILE 64 N 0.26 0.00 -0.65 -3.56 2.04 -1.91 -1.58 117.51 112.11 1vdy h ILE 64 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1vdy h ILE 64 Cb 0.63 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 1vdy h ILE 64 CO 0.05 0.00 -0.19 0.58 0.00 0.00 0.00 178.15 178.59 1vdy h VAL 65 N -0.60 0.31 0.01 1.67 2.07 -1.79 -1.53 116.25 116.39 1vdy h VAL 65 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1vdy h VAL 65 Cb 0.57 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1vdy h VAL 65 CO -0.15 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.39 1vdy h LYS 66 N -0.03 -0.20 -0.98 1.57 1.57 -1.24 -2.59 116.57 114.68 1vdy h LYS 66 Ca 0.30 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.29 1vdy h LYS 66 Cb 0.49 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1vdy h LYS 66 CO -0.68 -0.13 0.61 0.37 -0.57 0.00 0.00 179.45 179.05 1vdy h GLN 67 N -0.21 0.64 -0.49 3.15 -0.00 -0.71 -0.89 115.11 116.60 1vdy h GLN 67 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.64 1vdy h GLN 67 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.52 1vdy h GLN 67 CO -0.11 0.42 0.29 0.87 0.00 0.00 0.00 178.83 180.30 1vdy h LYS 68 N 0.66 0.55 -0.33 1.69 1.57 -0.92 -1.84 116.57 117.95 1vdy h LYS 68 Ca 0.54 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.25 1vdy h LYS 68 Cb 0.98 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1vdy h LYS 68 CO -0.31 0.37 0.04 0.00 -0.57 0.00 0.00 179.45 178.98 1vdy h ALA 69 N 1.23 0.43 -0.54 3.86 0.00 -0.89 -2.65 119.26 120.70 1vdy h ALA 69 Ca 0.20 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1vdy h ALA 69 Cb 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 1vdy h ALA 69 CO -0.10 0.14 -0.10 -0.07 0.00 0.00 0.00 179.25 179.12 1vdy h LEU 70 N 0.37 -0.43 -0.03 0.00 -0.00 -0.65 -0.08 115.31 114.48 1vdy h LEU 70 Ca 0.10 0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1vdy h LEU 70 Cb 0.36 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1vdy h LEU 70 CO 0.01 -0.16 0.01 -0.09 -0.00 0.00 0.00 178.44 178.22 1vdy h ARG 71 N 0.03 0.05 -0.54 1.13 2.43 -1.33 -3.06 114.38 113.09 1vdy h ARG 71 Ca 0.26 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1vdy h ARG 71 Cb 0.41 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1vdy h ARG 71 CO -0.53 0.18 0.26 1.25 -1.51 0.00 0.00 179.97 179.62 1vdy h LEU 72 N -0.09 0.37 -0.27 3.80 5.85 -0.95 -0.80 115.31 123.21 1vdy h LEU 72 Ca 0.01 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1vdy h LEU 72 Cb 0.15 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1vdy h LEU 72 CO -0.00 0.25 -0.24 0.40 -0.34 0.00 0.00 178.44 178.51 1vdy h ILE 73 N 0.51 0.39 0.00 4.05 2.04 -0.98 0.23 117.51 123.74 1vdy h ILE 73 Ca 0.24 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 1vdy h ILE 73 Cb 0.17 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1vdy h ILE 73 CO -0.18 0.00 -0.49 0.07 0.00 0.00 0.00 178.15 177.55 1vdy h LYS 74 N -0.23 0.00 -0.27 2.37 2.10 -1.38 0.71 116.57 119.87 1vdy h LYS 74 Ca 0.15 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.62 1vdy h LYS 74 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1vdy h LYS 74 CO -0.41 0.49 -0.51 -0.92 -2.00 0.00 0.00 179.45 176.11 1vdy h TYR 75 N 0.00 1.03 0.24 0.07 5.03 -0.18 -3.34 116.97 119.83 1vdy h TYR 75 Ca -0.00 -0.37 -0.32 0.00 2.58 0.00 0.00 58.73 60.62 1vdy h TYR 75 Cb 1.01 -0.19 0.04 0.00 1.55 0.00 0.00 36.73 39.14 1vdy h TYR 75 CO 0.00 1.18 -1.39 0.00 -1.32 0.00 0.00 178.16 176.63 1vdy h ALA 76 N 0.66 -0.16 -2.45 1.82 0.00 -0.52 -3.45 119.26 115.17 1vdy h ALA 76 Ca 0.01 -0.84 -0.52 0.00 0.00 0.00 0.00 54.91 53.57 1vdy h ALA 76 Cb 1.11 0.17 0.14 0.00 0.00 0.00 0.00 17.79 19.21 1vdy h ALA 76 CO 0.11 0.65 0.34 0.54 0.00 0.00 0.00 179.25 180.89 1vdy s VAL 77 N -2.58 2.82 0.00 0.00 0.11 0.23 -1.63 120.40 119.36 1vdy s VAL 77 Ca -0.10 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1vdy s VAL 77 Cb 0.04 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1vdy s VAL 77 CO 0.93 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 173.03 1vdy n GLY 78 N -0.33 2.53 0.00 6.54 0.00 -1.26 -4.67 105.19 107.99 1vdy n GLY 78 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.77 0.28 1.61 2.85 -1.19 -4.60 118.16 115.88 1vdy n LYS 79 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1vdy n LYS 79 Cb 0.00 -0.64 0.80 0.00 -0.65 0.00 0.00 35.03 34.54 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 -4.33 -5.58 0.02 -1.58 -3.48 113.55 98.60 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 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1vdy h SER 80 CO 0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1vdy n GLY 81 N -1.06 3.80 0.32 -3.77 0.00 -1.26 -4.22 105.19 99.00 1vdy n GLY 81 Ca -0.02 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.33 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 0.55 0.18 1.61 0.02 -1.97 -2.91 113.55 111.03 1vdy h SER 82 Ca 0.00 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1vdy h SER 82 Cb 0.00 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1vdy h SER 82 CO 0.00 0.40 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.27 1vdy h GLU 83 N 0.65 -0.72 -1.01 3.45 3.07 -1.98 -0.25 114.58 117.79 1vdy h GLU 83 Ca 0.18 0.05 0.13 0.00 -0.50 0.00 0.00 59.36 59.22 1vdy h GLU 83 Cb -0.05 0.16 -0.09 0.00 -0.84 0.00 0.00 28.75 27.93 1vdy h GLU 83 CO -0.04 -0.48 0.63 0.35 -1.40 0.00 0.00 179.01 178.07 1vdy h PHE 84 N -0.75 1.14 0.01 4.33 3.57 -1.78 -0.75 116.94 122.71 1vdy h PHE 84 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1vdy h PHE 84 Cb 0.72 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1vdy h PHE 84 CO -0.40 0.42 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.00 1vdy h ARG 85 N 0.96 -0.02 -0.33 1.11 2.43 -1.23 -0.99 114.38 116.32 1vdy h ARG 85 Ca 0.51 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.75 1vdy h ARG 85 Cb 0.55 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 1vdy h ARG 85 CO -0.28 0.10 -0.10 0.00 -1.51 0.00 0.00 179.97 178.18 1vdy h ARG 86 N -0.13 -0.03 -0.73 0.20 2.47 0.37 0.27 114.38 116.79 1vdy h ARG 86 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1vdy h ARG 86 Cb 0.13 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1vdy h ARG 86 CO 0.00 -0.02 0.42 0.93 0.56 0.00 0.00 179.97 181.86 1vdy h GLU 87 N -0.03 1.01 -0.50 0.04 4.39 -1.30 -1.06 114.58 117.13 1vdy h GLU 87 Ca 0.16 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1vdy h GLU 87 Cb 0.28 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1vdy h GLU 87 CO -0.36 0.74 0.26 1.98 -1.16 0.00 0.00 179.01 180.47 1vdy h MET 88 N 1.01 0.70 -0.85 2.33 4.05 0.10 -1.66 114.93 120.61 1vdy h MET 88 Ca 0.26 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1vdy h MET 88 Cb 0.01 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.63 1vdy h MET 88 CO -0.04 0.57 0.56 1.96 0.23 0.00 0.00 176.91 180.19 1vdy h GLN 89 N 0.66 1.13 0.00 0.39 4.20 -0.53 0.71 115.11 121.66 1vdy h GLN 89 Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1vdy h GLN 89 Cb 0.09 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1vdy h GLN 89 CO -0.02 0.75 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.78 1vdy h ARG 90 N 1.16 0.00 0.00 1.46 9.65 -0.30 -3.15 114.38 123.20 1vdy h ARG 90 Ca 0.31 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.17 1vdy h ARG 90 Cb -0.13 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.40 1vdy h ARG 90 CO -0.07 0.02 -0.42 0.09 2.80 0.00 0.00 179.97 182.39 1vdy n ASN 91 N -3.14 1.04 0.24 -3.80 3.02 -0.84 -4.81 115.26 106.97 1vdy n ASN 91 Ca -0.01 -2.53 0.16 0.00 -0.03 0.00 0.00 54.58 52.18 1vdy n ASN 91 Cb 0.23 -0.32 0.84 0.00 -0.61 0.00 0.00 39.78 39.92 1vdy n ASN 91 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vdy h SER 92 N 0.25 0.00 -0.99 6.41 4.64 -0.84 -2.62 113.55 120.40 1vdy h SER 92 Ca -0.03 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1vdy h SER 92 Cb 1.31 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 1vdy h SER 92 CO 0.01 0.00 0.61 1.62 -0.87 0.00 0.00 176.83 178.21 1vdy h VAL 93 N 0.00 0.74 -0.92 0.95 3.04 -1.86 -0.53 116.25 117.66 1vdy h VAL 93 Ca 0.00 -0.25 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1vdy h VAL 93 Cb 0.05 -0.07 -0.06 0.00 -2.01 0.00 0.00 31.29 29.20 1vdy h VAL 93 CO 0.00 0.14 0.59 0.00 -1.01 0.00 0.00 177.57 177.29 1vdy h ALA 94 N 1.62 1.24 0.04 3.17 0.00 -1.87 -0.35 119.26 123.11 1vdy h ALA 94 Ca 0.55 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.26 1vdy h ALA 94 Cb 0.88 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1vdy h ALA 94 CO -0.33 0.42 -0.67 0.28 0.00 0.00 0.00 179.25 178.95 1vdy h VAL 95 N 1.12 1.45 -0.41 0.00 2.07 -1.37 -3.32 116.25 115.79 1vdy h VAL 95 Ca 0.38 -2.21 0.06 0.00 0.82 0.00 0.00 66.70 65.75 1vdy h VAL 95 Cb 0.07 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1vdy h VAL 95 CO -0.14 0.64 0.28 0.03 0.02 0.00 0.00 177.57 178.39 1vdy h ARG 96 N -0.16 0.30 0.00 1.57 3.08 -0.71 -1.04 114.38 117.41 1vdy h ARG 96 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1vdy h ARG 96 Cb 1.41 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1vdy h ARG 96 CO 0.13 0.20 0.00 0.27 -1.07 0.00 0.00 179.97 179.50 1vdy n ASN 97 N -4.48 0.38 0.05 7.04 0.23 -0.19 -3.15 115.26 115.15 1vdy n ASN 97 Ca 0.05 0.55 0.13 0.00 -0.53 0.00 0.00 54.58 54.78 1vdy n ASN 97 Cb 0.26 -0.65 0.30 0.00 -2.08 0.00 0.00 39.78 37.61 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vdy n LEU 98 N -1.87 0.60 -0.03 -4.53 4.77 -0.40 -3.55 117.00 111.99 1vdy n LEU 98 Ca 0.05 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.43 1vdy n LEU 98 Cb 0.32 -0.27 0.48 0.00 -2.33 0.00 0.00 43.42 41.62 1vdy n LEU 98 CO 0.24 -0.05 1.17 -0.26 -1.33 0.00 0.00 177.39 177.17 1vdy h PHE 99 N 0.00 0.43 -0.71 -1.77 0.04 -1.63 -0.71 116.94 112.60 1vdy h PHE 99 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1vdy h PHE 99 Cb 0.67 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1vdy h PHE 99 CO 0.00 0.24 0.00 -2.39 -0.60 0.00 0.00 178.31 175.56 1vdy n HIS 100 N -4.47 1.00 -2.74 -0.55 1.44 -1.23 -4.96 115.22 103.70 1vdy n HIS 100 Ca 0.06 -0.51 -0.39 0.00 -2.01 0.00 0.00 57.72 54.87 1vdy n HIS 100 Cb 0.24 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.08 3.85 0.00 -1.40 6.14 -0.27 -4.91 117.35 119.68 1vdy s TYR 101 Ca 0.48 1.86 0.00 0.00 0.64 0.00 0.00 57.07 60.05 1vdy s TYR 101 Cb 0.26 -2.98 0.00 0.00 0.42 0.00 0.00 41.96 39.66 1vdy s TYR 101 CO 0.32 0.30 0.00 0.36 0.64 0.00 0.00 175.55 177.17 1vdy n LYS 102 N 1.13 0.00 0.00 4.97 2.85 -1.26 -4.82 118.16 121.02 1vdy n LYS 102 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vdy n LYS 102 Cb 0.48 -0.12 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 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 0.00 1.86 3.38 2.58 0.00 -1.26 -4.64 105.19 107.11 1vdy n GLY 103 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.42 1.00 1.61 -3.43 -1.26 -5.18 115.29 107.62 1vdy s HIS 104 Ca 0.00 0.71 -0.12 0.00 -0.80 0.00 0.00 55.06 54.85 1vdy s HIS 104 Cb 0.00 0.24 0.19 0.00 -1.43 0.00 0.00 32.58 31.58 1vdy s HIS 104 CO 0.00 -0.49 1.09 -1.25 -2.00 0.00 0.00 174.74 172.09 1vdy s PRO 105 N -1.20 0.42 0.18 -0.38 0.04 -1.26 -4.88 135.00 127.92 1vdy s PRO 105 Ca -0.12 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.57 1vdy s PRO 105 Cb -0.03 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1vdy s PRO 105 CO 0.07 -2.76 0.06 -0.51 0.04 0.00 0.00 177.00 173.91 1vdy s ASP 106 N -3.38 5.09 0.41 6.66 1.01 0.33 -4.95 116.67 121.83 1vdy s ASP 106 Ca 0.65 -0.30 0.14 0.00 0.71 0.00 0.00 52.55 53.75 1vdy s ASP 106 Cb -0.19 -1.19 0.86 0.00 1.01 0.00 0.00 42.92 43.41 1vdy s ASP 106 CO 0.58 0.07 1.90 1.55 0.21 0.00 0.00 175.17 179.48 1vdy h PRO 107 N 2.45 0.00 0.00 8.23 0.13 -1.98 -2.10 132.00 138.73 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vdy h PRO 107 CO 0.60 0.28 -0.06 1.28 -0.23 0.00 0.00 178.00 179.87 1vdy n LEU 108 N -4.17 0.16 0.01 1.56 4.32 -1.26 -4.59 117.00 113.03 1vdy n LEU 108 Ca -0.02 0.18 0.09 0.00 -0.02 0.00 0.00 56.01 56.23 1vdy n LEU 108 Cb 0.33 -0.53 0.39 0.00 -1.62 0.00 0.00 43.42 42.00 1vdy n LEU 108 CO 0.37 -0.49 0.79 0.29 -1.22 0.00 0.00 177.39 177.14 1vdy n LYS 109 N -2.55 0.02 0.00 3.23 4.76 -1.26 -4.97 118.16 117.39 1vdy n LYS 109 Ca -0.01 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1vdy n LYS 109 Cb 0.03 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.35 3.01 1.02 0.72 0.00 -0.79 -2.64 105.19 106.85 1vdy n GLY 110 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1vdy n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vdy n ASP 111 N 9.55 3.19 0.11 1.61 5.75 -1.26 -0.52 116.55 134.98 1vdy n ASP 111 Ca 0.00 -1.95 -0.13 0.00 -0.01 0.00 0.00 54.79 52.70 1vdy n ASP 111 Cb 0.00 -0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdy h ALA 112 N 4.23 -0.24 -0.50 2.12 0.00 -1.92 -1.87 119.26 121.08 1vdy h ALA 112 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vdy h ALA 112 Cb 0.94 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1vdy h ALA 112 CO 0.00 -0.65 0.33 -0.07 0.00 0.00 0.00 179.25 178.86 1vdy h LEU 113 N -0.27 0.57 -2.30 0.00 4.07 -1.84 -0.98 115.31 114.57 1vdy h LEU 113 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1vdy h LEU 113 Cb 0.25 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1vdy h LEU 113 CO -0.02 0.41 -0.04 0.78 -1.08 0.00 0.00 178.44 178.49 1vdy h ASN 114 N 0.68 0.00 0.11 -0.43 2.35 -1.83 -2.66 115.58 113.79 1vdy h ASN 114 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1vdy h ASN 114 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1vdy h ASN 114 CO -0.04 0.04 -0.05 0.50 -1.65 0.00 0.00 177.43 176.23 1vdy h LYS 115 N 0.00 -0.14 -0.78 0.81 1.63 -0.36 -3.34 116.57 114.39 1vdy h LYS 115 Ca -0.00 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.10 1vdy h LYS 115 Cb 0.13 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 31.65 1vdy h LYS 115 CO 0.01 -0.09 0.28 0.00 -3.45 0.00 0.00 179.45 176.20 1vdy n ALA 116 N -2.14 0.67 -0.22 5.00 0.00 -0.72 -1.22 120.51 121.88 1vdy n ALA 116 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1vdy n ALA 116 Cb 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1vdy n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vdy n VAL 117 N -4.89 0.00 0.25 0.00 0.31 -1.02 -1.60 118.33 111.38 1vdy n VAL 117 Ca 0.26 1.39 0.14 0.00 -0.01 0.00 0.00 64.34 66.12 1vdy n VAL 117 Cb 0.87 -2.21 0.82 0.00 -0.91 0.00 0.00 33.84 32.42 1vdy n VAL 117 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1vdy h ARG 118 N 0.00 0.00 0.25 5.55 -0.00 -1.30 -1.62 114.38 117.26 1vdy h ARG 118 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1vdy h ARG 118 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1vdy h ARG 118 CO 0.00 0.00 -0.12 0.93 -0.00 0.00 0.00 179.97 180.78 1vdy h GLU 119 N 0.00 -0.33 -0.53 0.08 5.08 -1.29 -3.08 114.58 114.51 1vdy h GLU 119 Ca 0.04 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1vdy h GLU 119 Cb 0.18 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1vdy h GLU 119 CO -0.00 0.02 0.29 1.15 -1.00 0.00 0.00 179.01 179.47 1vdy h THR 120 N -0.73 1.16 -0.82 1.13 2.02 -0.77 -2.26 112.91 112.64 1vdy h THR 120 Ca -0.03 -0.41 0.21 0.00 0.77 0.00 0.00 66.41 66.94 1vdy h THR 120 Cb 0.49 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1vdy h THR 120 CO 0.06 0.18 0.56 0.00 0.37 0.00 0.00 175.52 176.69 1vdy h ALA 121 N 1.59 2.45 0.37 6.16 0.00 -1.22 0.12 119.26 128.72 1vdy h ALA 121 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1vdy h ALA 121 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vdy h ALA 121 CO -0.03 -0.69 -0.18 0.45 0.00 0.00 0.00 179.25 178.80 1vdy h HIS 122 N 0.21 -0.45 -0.82 0.00 3.86 -1.44 -1.19 115.15 115.31 1vdy h HIS 122 Ca 0.41 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1vdy h HIS 122 Cb 1.28 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.86 1vdy h HIS 122 CO -0.00 -0.15 0.38 0.93 0.86 0.00 0.00 177.93 179.96 1vdy h GLU 123 N -0.76 1.20 -0.01 2.45 5.08 -1.47 -1.43 114.58 119.63 1vdy h GLU 123 Ca -0.05 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1vdy h GLU 123 Cb 0.51 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1vdy h GLU 123 CO 0.08 0.93 0.00 1.15 -1.00 0.00 0.00 179.01 180.18 1vdy h THR 124 N 1.18 1.07 -0.43 1.13 2.02 -0.78 -1.34 112.91 115.76 1vdy h THR 124 Ca 0.28 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1vdy h THR 124 Cb 0.14 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1vdy h THR 124 CO -0.03 0.06 0.27 0.40 0.37 0.00 0.00 175.52 176.58 1vdy h ILE 125 N -0.08 1.08 -0.88 3.11 1.08 -0.91 -1.72 117.51 119.19 1vdy h ILE 125 Ca 0.00 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 1vdy h ILE 125 Cb 0.09 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 1vdy h ILE 125 CO -0.00 0.10 0.57 -1.28 -0.69 0.00 0.00 178.15 176.85 1vdy h SER 126 N 0.54 0.83 -0.23 1.72 0.87 -1.07 -1.96 113.55 114.26 1vdy h SER 126 Ca 0.16 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1vdy h SER 126 Cb -0.03 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1vdy h SER 126 CO -0.05 0.52 -0.18 0.00 -0.53 0.00 0.00 176.83 176.59 1vdy h ALA 127 N 1.54 0.34 -0.63 6.23 0.00 -0.55 -0.14 119.26 126.04 1vdy h ALA 127 Ca 0.39 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1vdy h ALA 127 Cb 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1vdy h ALA 127 CO -0.15 0.25 0.39 0.82 0.00 0.00 0.00 179.25 180.56 1vdy h ILE 128 N 0.24 1.08 -0.62 0.00 2.04 -0.90 -2.91 117.51 116.44 1vdy h ILE 128 Ca 0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1vdy h ILE 128 Cb 0.71 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1vdy h ILE 128 CO 0.05 0.14 0.00 0.49 0.00 0.00 0.00 178.15 178.83 1vdy n PHE 129 N -4.71 1.37 -1.74 1.37 3.72 -0.78 -4.85 117.46 111.84 1vdy n PHE 129 Ca 0.06 -0.61 -0.42 0.00 -0.05 0.00 0.00 57.45 56.43 1vdy n PHE 129 Cb 0.08 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.39 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy n SER 130 N 1.04 3.57 -3.58 4.37 2.88 -0.07 -4.89 113.62 116.94 1vdy n SER 130 Ca 0.25 1.17 -0.41 0.00 -1.33 0.00 0.00 58.87 58.56 1vdy n SER 130 Cb 0.85 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1vdy n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vdy n GLU 131 N 1.51 4.55 -2.29 -1.46 1.02 -1.26 -4.65 120.64 118.05 1vdy n GLU 131 Ca 0.07 -3.66 -0.16 0.00 -0.02 0.00 0.00 57.16 53.39 1vdy n GLU 131 Cb 0.36 -2.65 -0.02 0.00 -0.02 0.00 0.00 31.44 29.12 1vdy n GLU 131 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1vdy n GLU 132 N 1.83 -1.88 -2.84 3.49 4.07 -1.26 -4.93 120.64 119.11 1vdy n GLU 132 Ca 0.56 0.82 -0.43 0.00 -0.06 0.00 0.00 57.16 58.05 1vdy n GLU 132 Cb 0.27 -5.40 -0.03 0.00 -0.06 0.00 0.00 31.44 26.21 1vdy n GLU 132 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1vdy s ASN 133 N -2.09 6.27 -0.09 4.31 2.47 -1.26 -4.65 114.94 119.91 1vdy s ASN 133 Ca 0.00 -1.19 -0.02 0.00 0.42 0.00 0.00 52.86 52.08 1vdy s ASN 133 Cb 0.00 -2.43 0.01 0.00 -1.45 0.00 0.00 41.25 37.38 1vdy s ASN 133 CO 0.00 -1.39 0.03 0.61 -3.72 0.00 0.00 177.10 172.63 1vdy n GLY 134 N 5.43 -3.49 2.96 1.21 0.00 -1.26 -5.06 105.19 104.98 1vdy n GLY 134 Ca 0.03 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 135 N -0.41 -0.10 0.00 1.61 1.04 -1.26 -5.11 113.70 109.46 1vdy s SER 135 Ca -0.04 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1vdy s SER 135 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1vdy s SER 135 CO 0.26 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1vdy n GLY 136 N 3.42 3.37 3.76 7.32 0.00 -1.26 -5.16 105.19 116.64 1vdy n GLY 136 Ca -0.17 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1vdy n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vdy s PRO 137 N -2.24 0.54 -0.01 1.61 0.04 -1.26 -5.02 135.00 128.66 1vdy s PRO 137 Ca 0.00 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.11 1vdy s PRO 137 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1vdy s PRO 137 CO 0.00 -2.57 0.12 -1.12 0.04 0.00 0.00 177.00 173.47 1vdy s SER 138 N -4.09 -0.00 0.00 6.66 0.01 -1.26 -4.93 113.70 110.09 1vdy s SER 138 Ca 0.67 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1vdy s SER 138 Cb -0.12 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1vdy s SER 138 CO 0.54 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.69 1vdy n SER 139 N 1.94 0.00 0.00 2.44 2.88 -1.26 -5.23 113.62 114.39 1vdy n SER 139 Ca -0.20 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1vdy n SER 139 Cb 0.57 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.63 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42