#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s96 s GLY 4 N 0.00 1.61 -0.06 1.08 0.00 -0.13 -4.85 107.32 104.97 1s96 s GLY 4 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.38 1s96 s GLY 4 CO 0.00 0.08 -0.11 -1.59 0.00 0.00 0.00 173.10 171.48 1s96 s THR 5 N -3.29 3.32 -0.24 0.90 2.01 -1.25 -4.89 115.64 112.20 1s96 s THR 5 Ca 0.61 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.77 1s96 s THR 5 Cb -0.13 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1s96 s THR 5 CO 0.53 0.59 0.66 -0.22 -0.69 0.00 0.00 174.62 175.49 1s96 s LEU 6 N -0.75 4.09 -0.27 4.42 2.96 -1.26 -1.36 118.68 126.51 1s96 s LEU 6 Ca 0.12 0.79 -0.06 0.00 -0.22 0.00 0.00 54.13 54.75 1s96 s LEU 6 Cb -0.11 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 1s96 s LEU 6 CO 0.01 -0.37 0.04 -0.31 -1.32 0.00 0.00 176.35 174.41 1s96 s TYR 7 N 2.39 3.09 -0.18 5.38 1.51 0.60 -0.81 117.35 129.32 1s96 s TYR 7 Ca 0.28 -0.88 -0.20 0.00 -1.01 0.00 0.00 57.07 55.26 1s96 s TYR 7 Cb -0.16 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1s96 s TYR 7 CO 0.09 -0.53 0.58 0.42 -1.11 0.00 0.00 175.55 175.00 1s96 s ILE 8 N 1.51 5.07 -0.11 2.71 1.01 0.22 0.43 121.20 132.04 1s96 s ILE 8 Ca 0.04 1.11 0.03 0.00 0.00 0.00 0.00 60.65 61.82 1s96 s ILE 8 Cb -0.16 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1s96 s ILE 8 CO 0.01 0.16 -0.20 -0.69 0.00 0.00 0.00 174.94 174.23 1s96 s VAL 9 N 1.61 1.81 0.13 2.92 1.01 0.41 -0.37 120.40 127.93 1s96 s VAL 9 Ca 0.28 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1s96 s VAL 9 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1s96 s VAL 9 CO 0.11 0.50 -0.05 -0.44 0.00 0.00 0.00 175.10 175.22 1s96 s SER 10 N 0.69 1.23 0.00 3.32 0.01 -0.69 -1.46 113.70 116.80 1s96 s SER 10 Ca -0.12 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1s96 s SER 10 Cb -0.16 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1s96 s SER 10 CO 0.02 -0.49 0.00 0.00 0.41 0.00 0.00 173.24 173.18 1s96 n ALA 11 N -0.13 0.00 -1.39 1.44 0.00 -1.26 -1.32 120.51 117.85 1s96 n ALA 11 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1s96 n ALA 11 Cb 0.62 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.19 1s96 n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s96 s PRO 12 N -2.00 1.50 0.68 0.00 0.04 -1.26 -4.98 135.00 128.99 1s96 s PRO 12 Ca 0.00 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1s96 s PRO 12 Cb 0.00 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1s96 s PRO 12 CO 0.00 -2.03 1.12 -1.12 0.04 0.00 0.00 177.00 175.01 1s96 s SER 13 N -3.71 4.92 0.00 6.66 0.01 -1.26 -3.05 113.70 117.28 1s96 s SER 13 Ca 0.63 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1s96 s SER 13 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1s96 s SER 13 CO 0.55 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 173.06 1s96 n GLY 14 N -0.52 0.61 0.75 3.44 0.00 -1.26 -4.91 105.19 103.30 1s96 n GLY 14 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1s96 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s96 n ALA 15 N -1.37 2.25 -1.32 4.61 0.00 -1.17 -4.55 120.51 118.95 1s96 n ALA 15 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 53.44 52.22 1s96 n ALA 15 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1s96 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s96 n GLY 16 N 0.75 1.21 0.24 0.00 0.00 -1.26 -4.77 105.19 101.36 1s96 n GLY 16 Ca 0.13 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1s96 n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s96 h LYS 17 N 0.06 -0.31 -1.00 1.61 3.64 -1.93 -1.98 116.57 116.65 1s96 h LYS 17 Ca -0.23 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1s96 h LYS 17 Cb 0.82 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1s96 h LYS 17 CO 0.33 -0.21 0.66 0.77 -2.27 0.00 0.00 179.45 178.74 1s96 h SER 18 N -0.32 1.14 -0.31 4.20 0.02 -1.97 -1.58 113.55 114.72 1s96 h SER 18 Ca 0.06 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1s96 h SER 18 Cb 0.40 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1s96 h SER 18 CO -0.19 0.81 -0.18 0.28 -1.14 0.00 0.00 176.83 176.41 1s96 h SER 19 N 1.33 0.78 -0.12 3.07 0.02 -1.95 -0.37 113.55 116.32 1s96 h SER 19 Ca 0.38 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1s96 h SER 19 Cb -0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1s96 h SER 19 CO -0.09 0.96 0.05 -0.07 -1.14 0.00 0.00 176.83 176.53 1s96 h LEU 20 N 0.69 0.16 -0.60 5.07 3.38 -0.94 0.20 115.31 123.27 1s96 h LEU 20 Ca 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1s96 h LEU 20 Cb 0.68 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1s96 h LEU 20 CO 0.05 0.27 0.29 0.40 0.09 0.00 0.00 178.44 179.54 1s96 h ILE 21 N 0.04 1.21 -0.75 1.22 2.04 -1.16 -1.90 117.51 118.22 1s96 h ILE 21 Ca 0.04 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1s96 h ILE 21 Cb 0.16 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1s96 h ILE 21 CO -0.00 0.24 0.36 1.56 0.00 0.00 0.00 178.15 180.31 1s96 h GLN 22 N 0.82 1.07 -0.52 2.37 1.08 -0.72 -1.34 115.11 117.87 1s96 h GLN 22 Ca 0.21 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1s96 h GLN 22 Cb 0.12 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1s96 h GLN 22 CO -0.03 0.84 0.12 0.00 -0.95 0.00 0.00 178.83 178.81 1s96 h ALA 23 N 1.18 1.23 -0.09 3.87 0.00 -0.38 -2.11 119.26 122.97 1s96 h ALA 23 Ca 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s96 h ALA 23 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s96 h ALA 23 CO -0.03 0.53 0.04 1.25 0.00 0.00 0.00 179.25 181.04 1s96 h LEU 24 N 0.77 0.06 -2.22 0.00 5.85 -0.56 -2.06 115.31 117.16 1s96 h LEU 24 Ca 0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1s96 h LEU 24 Cb 0.29 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1s96 h LEU 24 CO -0.00 0.05 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.03 1s96 h LEU 25 N 0.09 0.00 -0.57 2.25 3.38 -0.76 -2.11 115.31 117.59 1s96 h LEU 25 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s96 h LEU 25 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1s96 h LEU 25 CO -0.03 0.05 0.00 0.11 0.09 0.00 0.00 178.44 178.66 1s96 h LYS 26 N 0.00 0.00 0.00 1.13 1.57 -0.72 -3.30 116.57 115.25 1s96 h LYS 26 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s96 h LYS 26 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1s96 h LYS 26 CO 0.01 0.00 -0.02 0.25 -0.57 0.00 0.00 179.45 179.12 1s96 n THR 27 N -2.64 0.93 -4.85 -0.16 -2.24 -0.81 -5.01 114.28 99.50 1s96 n THR 27 Ca 0.03 -0.99 -0.25 0.00 -2.27 0.00 0.00 64.05 60.57 1s96 n THR 27 Cb 0.36 0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1s96 n THR 27 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1s96 s GLN 28 N -1.09 1.46 0.84 -0.78 -0.21 -1.11 -5.11 119.66 113.65 1s96 s GLN 28 Ca 0.05 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 1s96 s GLN 28 Cb 0.04 -1.40 0.10 0.00 1.00 0.00 0.00 33.01 32.76 1s96 s GLN 28 CO 0.00 0.37 1.15 -2.14 -2.12 0.00 0.00 175.29 172.56 1s96 s PRO 29 N -0.38 1.56 0.45 2.91 0.02 -1.26 -4.77 135.00 133.52 1s96 s PRO 29 Ca 0.06 1.53 0.30 0.00 0.02 0.00 0.00 61.00 62.91 1s96 s PRO 29 Cb -0.07 -1.79 1.26 0.00 0.02 0.00 0.00 34.50 33.92 1s96 s PRO 29 CO -0.00 -2.23 1.90 -0.07 -0.33 0.00 0.00 177.00 176.26 1s96 h LEU 30 N -1.31 0.00 -0.60 -5.54 3.38 -1.94 0.37 115.31 109.67 1s96 h LEU 30 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1s96 h LEU 30 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1s96 h LEU 30 CO 0.46 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1s96 n TYR 31 N -2.78 0.03 -0.06 1.13 0.18 -1.26 -4.03 117.16 110.38 1s96 n TYR 31 Ca 0.01 -0.02 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 1s96 n TYR 31 Cb 0.27 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.18 1s96 n TYR 31 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1s96 n ASP 32 N -0.26 2.35 -3.81 9.48 8.00 0.02 -4.49 116.55 127.85 1s96 n ASP 32 Ca 0.20 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.56 1s96 n ASP 32 Cb 0.25 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.96 1s96 n ASP 32 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s96 s THR 33 N -2.22 0.00 0.06 -3.53 2.01 -0.60 0.18 115.64 111.54 1s96 s THR 33 Ca -0.15 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1s96 s THR 33 Cb 0.05 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 1s96 s THR 33 CO 0.24 0.07 0.01 -1.10 -0.69 0.00 0.00 174.62 173.14 1s96 s GLN 34 N 0.70 0.65 0.32 4.92 -0.21 0.01 -4.23 119.66 121.82 1s96 s GLN 34 Ca -0.06 -1.17 -0.03 0.00 0.02 0.00 0.00 55.36 54.12 1s96 s GLN 34 Cb -0.09 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 34.11 1s96 s GLN 34 CO -0.02 -0.14 0.55 0.14 -2.12 0.00 0.00 175.29 173.71 1s96 s VAL 35 N -3.91 5.06 0.59 1.09 -7.23 -1.26 -0.45 120.40 114.30 1s96 s VAL 35 Ca 0.07 -0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.94 1s96 s VAL 35 Cb 0.07 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1s96 s VAL 35 CO -0.10 -0.43 1.03 -0.94 -0.31 0.00 0.00 175.10 174.34 1s96 s SER 36 N -3.54 6.11 -0.21 4.85 1.04 -0.38 -4.78 113.70 116.79 1s96 s SER 36 Ca 0.42 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 1s96 s SER 36 Cb -0.10 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1s96 s SER 36 CO 0.33 -0.94 -0.06 -0.69 0.98 0.00 0.00 173.24 172.85 1s96 s VAL 37 N -2.81 3.21 0.34 5.02 1.01 -1.26 -4.99 120.40 120.92 1s96 s VAL 37 Ca 0.59 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1s96 s VAL 37 Cb -0.12 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1s96 s VAL 37 CO 0.43 0.44 0.78 -0.44 0.00 0.00 0.00 175.10 176.31 1s96 s SER 38 N 1.43 6.83 0.40 3.32 0.01 -1.26 -4.66 113.70 119.76 1s96 s SER 38 Ca 0.05 1.37 -0.19 0.00 1.31 0.00 0.00 55.95 58.50 1s96 s SER 38 Cb -0.14 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 1s96 s SER 38 CO -0.04 -0.22 0.88 -1.00 0.41 0.00 0.00 173.24 173.27 1s96 s HIS 39 N -1.99 3.34 -0.06 2.43 3.76 0.14 -0.81 115.29 122.10 1s96 s HIS 39 Ca 0.55 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.62 1s96 s HIS 39 Cb -0.10 -2.74 0.08 0.00 1.11 0.00 0.00 32.58 30.93 1s96 s HIS 39 CO 0.17 -0.05 0.75 -0.08 -0.85 0.00 0.00 174.74 174.68 1s96 s THR 40 N -2.13 0.00 -0.72 1.30 -1.32 -0.70 -1.10 115.64 110.98 1s96 s THR 40 Ca 0.59 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.29 1s96 s THR 40 Cb -0.09 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.70 1s96 s THR 40 CO 0.15 0.00 0.90 0.35 -2.21 0.00 0.00 174.62 173.82 1s96 n THR 41 N 0.74 0.05 -0.78 5.08 -2.24 -1.07 -1.05 114.28 115.00 1s96 n THR 41 Ca -0.17 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 1s96 n THR 41 Cb 0.58 0.54 0.13 0.00 -2.10 0.00 0.00 70.33 69.48 1s96 n THR 41 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1s96 n ARG 42 N -1.76 -0.45 -3.23 -0.78 0.63 -1.26 -4.86 116.66 104.95 1s96 n ARG 42 Ca 0.02 -0.09 -0.39 0.00 -0.92 0.00 0.00 57.85 56.47 1s96 n ARG 42 Cb 0.40 -1.82 -0.06 0.00 0.45 0.00 0.00 32.46 31.43 1s96 n ARG 42 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1s96 s GLN 43 N -3.59 4.30 0.48 -0.14 -1.52 -1.26 -4.80 119.66 113.14 1s96 s GLN 43 Ca 0.56 0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 54.45 1s96 s GLN 43 Cb -0.20 -3.36 -0.13 0.00 -0.22 0.00 0.00 33.01 29.11 1s96 s GLN 43 CO 0.68 0.33 0.28 -2.30 -0.25 0.00 0.00 175.29 174.03 1s96 n PRO 44 N 2.90 0.30 -2.94 2.91 -0.02 -1.26 -4.97 135.00 131.92 1s96 n PRO 44 Ca -0.07 0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1s96 n PRO 44 Cb 0.51 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.64 1s96 n PRO 44 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s96 n ARG 45 N 0.78 1.27 -1.73 -0.52 1.74 -1.26 -5.02 116.66 111.91 1s96 n ARG 45 Ca 0.10 -1.69 -0.43 0.00 -0.77 0.00 0.00 57.85 55.07 1s96 n ARG 45 Cb 0.44 0.33 -0.03 0.00 -1.02 0.00 0.00 32.46 32.18 1s96 n ARG 45 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1s96 s PRO 46 N -2.96 3.47 0.00 5.56 0.04 -1.26 -2.51 135.00 137.34 1s96 s PRO 46 Ca 0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1s96 s PRO 46 Cb -0.01 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1s96 s PRO 46 CO 0.04 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1s96 n GLY 47 N 5.30 2.66 3.76 0.56 0.00 -1.26 -5.05 105.19 111.16 1s96 n GLY 47 Ca 0.25 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1s96 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s96 s GLU 48 N 0.00 4.15 -0.10 1.61 2.02 -1.04 -5.00 118.70 120.34 1s96 s GLU 48 Ca 0.00 2.52 0.04 0.00 0.02 0.00 0.00 54.97 57.55 1s96 s GLU 48 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1s96 s GLU 48 CO 0.00 -0.56 -0.23 0.08 0.02 0.00 0.00 175.26 174.56 1s96 s VAL 49 N -0.27 1.99 0.77 2.63 1.01 -1.26 -4.75 120.40 120.52 1s96 s VAL 49 Ca 0.60 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1s96 s VAL 49 Cb -0.46 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 1s96 s VAL 49 CO 0.50 0.54 0.02 1.57 0.00 0.00 0.00 175.10 177.74 1s96 n HIS 50 N 3.51 -2.49 -0.34 5.22 -0.00 -1.26 -1.08 115.22 118.77 1s96 n HIS 50 Ca -0.19 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1s96 n HIS 50 Cb 0.53 -1.72 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 1s96 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1s96 n GLY 51 N 2.30 0.40 1.15 1.57 0.00 -0.23 -4.62 105.19 105.77 1s96 n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s96 n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s96 n GLU 52 N -2.00 0.00 0.04 1.61 1.02 -0.24 -4.84 120.64 116.23 1s96 n GLU 52 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1s96 n GLU 52 Cb 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.85 1s96 n GLU 52 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s96 h HIS 53 N 0.00 0.16 -2.38 -0.32 3.86 -1.66 -3.46 115.15 111.35 1s96 h HIS 53 Ca 0.00 -0.12 0.12 0.00 -1.16 0.00 0.00 60.37 59.21 1s96 h HIS 53 Cb 0.19 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.53 1s96 h HIS 53 CO 0.00 1.13 0.46 0.71 0.86 0.00 0.00 177.93 181.09 1s96 s TYR 54 N -2.65 -0.28 -0.51 2.45 1.51 -1.26 -4.57 117.35 112.04 1s96 s TYR 54 Ca -0.04 0.07 -0.18 0.00 -1.01 0.00 0.00 57.07 55.92 1s96 s TYR 54 Cb 0.08 0.58 0.07 0.00 -0.11 0.00 0.00 41.96 42.59 1s96 s TYR 54 CO 0.83 -0.69 0.55 -0.06 -1.11 0.00 0.00 175.55 175.08 1s96 s PHE 55 N -3.25 3.12 0.01 2.71 0.40 0.01 -1.06 117.98 119.92 1s96 s PHE 55 Ca 0.07 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.35 1s96 s PHE 55 Cb -0.01 -3.49 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 1s96 s PHE 55 CO -0.05 -0.99 1.09 -0.06 0.70 0.00 0.00 175.22 175.92 1s96 s PHE 56 N 2.26 3.52 0.21 0.36 0.08 -1.26 -1.71 117.98 121.43 1s96 s PHE 56 Ca 0.10 1.49 -0.05 0.00 0.12 0.00 0.00 56.93 58.58 1s96 s PHE 56 Cb -0.22 -3.28 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 1s96 s PHE 56 CO 0.09 -0.66 0.25 0.14 -0.10 0.00 0.00 175.22 174.94 1s96 s VAL 57 N 1.20 0.01 0.35 -0.44 -7.23 -0.22 -4.93 120.40 109.14 1s96 s VAL 57 Ca 0.55 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1s96 s VAL 57 Cb -0.25 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1s96 s VAL 57 CO 0.27 -0.06 0.46 0.54 -0.31 0.00 0.00 175.10 176.00 1s96 s ASN 58 N -3.09 5.77 0.44 4.85 2.20 -1.26 -3.53 114.94 120.32 1s96 s ASN 58 Ca 0.31 -0.30 0.23 0.00 -0.94 0.00 0.00 52.86 52.15 1s96 s ASN 58 Cb 0.04 -1.06 1.21 0.00 -2.00 0.00 0.00 41.25 39.45 1s96 s ASN 58 CO 0.09 -0.49 1.80 0.45 -2.94 0.00 0.00 177.10 176.01 1s96 h HIS 59 N 0.91 0.47 -0.26 1.54 3.86 -1.95 0.81 115.15 120.53 1s96 h HIS 59 Ca -0.44 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 58.62 1s96 h HIS 59 Cb 1.26 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1s96 h HIS 59 CO 0.44 0.06 -0.49 -0.44 0.86 0.00 0.00 177.93 178.36 1s96 h ASP 60 N 0.29 0.78 0.06 2.45 3.32 -1.98 0.76 116.42 122.10 1s96 h ASP 60 Ca 0.56 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1s96 h ASP 60 Cb 1.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1s96 h ASP 60 CO -0.20 1.13 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.09 1s96 h GLU 61 N 0.56 -0.08 -0.28 3.56 5.08 -1.28 -0.10 114.58 122.04 1s96 h GLU 61 Ca 0.03 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1s96 h GLU 61 Cb 1.05 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 1s96 h GLU 61 CO 0.10 0.29 -0.18 0.35 -1.00 0.00 0.00 179.01 178.57 1s96 h PHE 62 N -0.46 -0.45 -0.73 4.33 3.57 -1.20 -0.44 116.94 121.56 1s96 h PHE 62 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1s96 h PHE 62 Cb 0.40 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1s96 h PHE 62 CO 0.05 -0.26 0.47 0.87 -2.23 0.00 0.00 178.31 177.21 1s96 h LYS 63 N -0.15 0.97 -1.70 1.11 1.57 -0.79 0.51 116.57 118.09 1s96 h LYS 63 Ca 0.15 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1s96 h LYS 63 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1s96 h LYS 63 CO -0.38 0.66 0.00 -1.91 -0.57 0.00 0.00 179.45 177.25 1s96 n GLU 64 N -4.41 0.30 0.00 3.15 0.00 -0.06 -0.57 120.64 119.05 1s96 n GLU 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1s96 n GLU 64 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.14 1s96 n GLU 64 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1s96 n ILE 66 N 0.86 0.00 -0.15 6.31 5.41 0.18 -1.54 119.36 130.43 1s96 n ILE 66 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 1s96 n ILE 66 Cb 0.15 0.00 0.50 0.00 -0.71 0.00 0.00 39.64 39.58 1s96 n ILE 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1s96 h SER 67 N 0.00 0.39 -0.07 4.38 4.64 -1.08 0.91 113.55 122.72 1s96 h SER 67 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1s96 h SER 67 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1s96 h SER 67 CO 0.00 0.21 0.00 0.54 -0.87 0.00 0.00 176.83 176.71 1s96 n ARG 68 N -4.48 1.32 -3.96 4.77 1.74 -0.59 -4.92 116.66 110.55 1s96 n ARG 68 Ca 0.14 -0.48 -0.26 0.00 -0.77 0.00 0.00 57.85 56.47 1s96 n ARG 68 Cb 0.50 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 1s96 n ARG 68 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s96 n ASP 69 N -0.32 -0.96 -0.16 0.55 2.03 0.31 -4.85 116.55 113.16 1s96 n ASP 69 Ca 0.16 -0.98 0.13 0.00 0.52 0.00 0.00 54.79 54.62 1s96 n ASP 69 Cb 0.19 -3.16 0.35 0.00 -0.72 0.00 0.00 41.12 37.77 1s96 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s96 n ALA 70 N -4.40 3.22 -2.83 -1.67 0.00 -1.26 -4.90 120.51 108.66 1s96 n ALA 70 Ca -0.25 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 1s96 n ALA 70 Cb 0.66 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1s96 n ALA 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s96 s PHE 71 N -2.67 3.32 0.03 0.00 0.08 -1.26 -0.39 117.98 117.09 1s96 s PHE 71 Ca 0.20 0.17 -0.00 0.00 0.12 0.00 0.00 56.93 57.42 1s96 s PHE 71 Cb 0.19 -1.70 -0.26 0.00 -0.57 0.00 0.00 43.02 40.68 1s96 s PHE 71 CO 0.58 0.55 0.94 -0.07 -0.10 0.00 0.00 175.22 177.12 1s96 h LEU 72 N 3.42 0.30 -7.14 -0.37 3.38 -1.21 -3.45 115.31 110.23 1s96 h LEU 72 Ca -0.47 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.04 1s96 h LEU 72 Cb 1.17 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 1s96 h LEU 72 CO 0.68 1.32 0.07 -1.83 0.09 0.00 0.00 178.44 178.78 1s96 s GLU 73 N -2.63 1.01 0.15 1.13 4.04 -1.26 -3.24 118.70 117.90 1s96 s GLU 73 Ca -0.06 -0.00 -0.18 0.00 0.04 0.00 0.00 54.97 54.76 1s96 s GLU 73 Cb 0.07 0.47 0.04 0.00 0.02 0.00 0.00 34.13 34.73 1s96 s GLU 73 CO 0.85 -0.34 0.48 -3.38 -1.84 0.00 0.00 175.26 171.03 1s96 s HIS 74 N -1.75 -0.25 0.14 4.83 -3.43 -1.26 -1.37 115.29 112.20 1s96 s HIS 74 Ca -0.09 -0.05 -0.10 0.00 -0.80 0.00 0.00 55.06 54.02 1s96 s HIS 74 Cb -0.01 0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1s96 s HIS 74 CO 0.04 -0.80 0.27 0.00 -2.00 0.00 0.00 174.74 172.26 1s96 s ALA 75 N -3.81 -0.16 -0.18 -1.38 0.00 0.87 -4.98 121.76 112.13 1s96 s ALA 75 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1s96 s ALA 75 Cb 0.00 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1s96 s ALA 75 CO -0.09 -0.61 -0.03 -2.00 0.00 0.00 0.00 175.76 173.02 1s96 s GLU 76 N -3.92 1.28 -0.03 0.00 2.12 -1.26 -1.42 118.70 115.47 1s96 s GLU 76 Ca 0.12 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1s96 s GLU 76 Cb 0.03 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.36 1s96 s GLU 76 CO -0.04 -0.49 -0.04 0.08 -0.54 0.00 0.00 175.26 174.23 1s96 s VAL 77 N 1.65 0.40 -1.45 3.70 1.01 0.92 -4.90 120.40 121.73 1s96 s VAL 77 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1s96 s VAL 77 Cb -0.16 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1s96 s VAL 77 CO -0.07 0.17 0.19 0.49 0.00 0.00 0.00 175.10 175.87 1s96 n PHE 78 N 3.68 -1.29 -0.19 5.22 3.01 -1.26 -0.74 117.46 125.89 1s96 n PHE 78 Ca -0.22 0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1s96 n PHE 78 Cb 0.53 -2.78 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 1s96 n PHE 78 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s96 n GLY 79 N -2.45 1.47 3.22 1.37 0.00 -1.26 -5.02 105.19 102.51 1s96 n GLY 79 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1s96 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s96 s ASN 80 N -3.13 1.97 0.19 1.61 0.02 0.08 -4.96 114.94 110.72 1s96 s ASN 80 Ca 0.00 -0.68 -0.07 0.00 -1.02 0.00 0.00 52.86 51.09 1s96 s ASN 80 Cb 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 41.25 41.13 1s96 s ASN 80 CO 0.00 -0.06 0.46 -0.31 0.02 0.00 0.00 177.10 177.22 1s96 s TYR 81 N -1.43 3.45 -0.11 2.20 1.51 -1.26 -0.06 117.35 121.64 1s96 s TYR 81 Ca 0.03 0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 56.72 1s96 s TYR 81 Cb -0.09 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1s96 s TYR 81 CO 0.03 0.35 0.28 0.71 -1.11 0.00 0.00 175.55 175.81 1s96 s TYR 82 N -1.74 -0.36 0.13 2.71 1.51 -0.51 -2.61 117.35 116.49 1s96 s TYR 82 Ca 0.44 0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 57.09 1s96 s TYR 82 Cb -0.12 0.10 0.07 0.00 -0.11 0.00 0.00 41.96 41.91 1s96 s TYR 82 CO 0.23 -0.21 1.02 0.20 -1.11 0.00 0.00 175.55 175.68 1s96 s GLY 83 N 0.80 -0.21 -0.25 0.71 0.00 -0.26 -0.09 107.32 108.03 1s96 s GLY 83 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 1s96 s GLY 83 CO -0.05 0.37 -0.05 -1.59 0.00 0.00 0.00 173.10 171.78 1s96 s THR 84 N -2.99 3.00 0.20 0.90 2.01 -0.47 0.23 115.64 118.52 1s96 s THR 84 Ca 0.14 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1s96 s THR 84 Cb -0.01 -2.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 1s96 s THR 84 CO 0.02 0.22 1.30 -0.55 -0.69 0.00 0.00 174.62 174.93 1s96 s SER 85 N 1.36 6.90 0.28 3.53 0.15 -1.26 -0.68 113.70 123.97 1s96 s SER 85 Ca 0.01 2.41 0.06 0.00 0.70 0.00 0.00 55.95 59.13 1s96 s SER 85 Cb -0.16 -2.61 0.39 0.00 -1.71 0.00 0.00 66.02 61.92 1s96 s SER 85 CO -0.04 -0.52 1.66 -0.09 1.20 0.00 0.00 173.24 175.45 1s96 h ARG 86 N 5.28 0.24 -0.11 5.44 2.43 -1.04 -2.71 114.38 123.91 1s96 h ARG 86 Ca -0.45 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 58.56 1s96 h ARG 86 Cb 1.21 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1s96 h ARG 86 CO 0.77 0.66 -0.05 1.49 -1.51 0.00 0.00 179.97 181.33 1s96 h GLU 87 N 0.19 0.23 -0.84 0.20 4.81 -1.91 -0.18 114.58 117.09 1s96 h GLU 87 Ca 0.01 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1s96 h GLU 87 Cb 0.91 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1s96 h GLU 87 CO 0.07 0.58 0.55 0.00 -0.73 0.00 0.00 179.01 179.48 1s96 h ALA 88 N 0.64 1.43 0.07 2.92 0.00 -1.91 -1.48 119.26 120.93 1s96 h ALA 88 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s96 h ALA 88 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1s96 h ALA 88 CO 0.02 0.52 -0.03 0.82 0.00 0.00 0.00 179.25 180.57 1s96 h ILE 89 N 1.11 1.20 0.00 0.00 1.08 -1.36 -3.07 117.51 116.46 1s96 h ILE 89 Ca 0.31 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1s96 h ILE 89 Cb -0.09 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1s96 h ILE 89 CO -0.07 0.26 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.19 1s96 h GLU 90 N -0.59 0.00 -0.06 2.37 5.08 -0.76 -0.52 114.58 120.10 1s96 h GLU 90 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1s96 h GLU 90 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s96 h GLU 90 CO 0.02 0.13 0.01 1.96 -1.00 0.00 0.00 179.01 180.13 1s96 h GLN 91 N 0.00 0.10 -0.01 2.33 4.20 -1.28 0.52 115.11 120.96 1s96 h GLN 91 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1s96 h GLN 91 Cb 0.36 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1s96 h GLN 91 CO 0.02 0.31 0.00 0.28 -0.67 0.00 0.00 178.83 178.77 1s96 h VAL 92 N -0.12 1.18 -0.62 -0.54 2.07 -1.34 -2.92 116.25 113.96 1s96 h VAL 92 Ca 0.02 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.12 1s96 h VAL 92 Cb 0.25 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1s96 h VAL 92 CO 0.00 0.14 0.42 -0.07 0.02 0.00 0.00 177.57 178.08 1s96 h LEU 93 N -0.20 0.31 -0.44 2.57 3.38 -1.07 0.60 115.31 120.47 1s96 h LEU 93 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s96 h LEU 93 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1s96 h LEU 93 CO 0.00 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1s96 n ALA 94 N -2.54 1.88 -0.09 1.53 0.00 0.17 -0.95 120.51 120.51 1s96 n ALA 94 Ca 0.11 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1s96 n ALA 94 Cb 0.44 -1.41 0.27 0.00 0.00 0.00 0.00 19.45 18.75 1s96 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s96 n THR 95 N -2.22 1.43 -0.94 0.00 -2.24 0.20 -4.87 114.28 105.65 1s96 n THR 95 Ca 0.03 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1s96 n THR 95 Cb 0.30 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1s96 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s96 n GLY 96 N 0.88 0.57 3.84 3.38 0.00 -0.71 -4.94 105.19 108.22 1s96 n GLY 96 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1s96 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s96 s VAL 97 N -2.17 5.03 0.02 1.61 1.01 -1.21 -4.25 120.40 120.43 1s96 s VAL 97 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 1s96 s VAL 97 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1s96 s VAL 97 CO 0.00 0.48 0.66 -1.81 0.00 0.00 0.00 175.10 174.43 1s96 s ASP 98 N -1.30 7.07 -0.13 3.32 -0.00 0.13 -3.86 116.67 121.90 1s96 s ASP 98 Ca 0.27 1.28 0.01 0.00 -0.00 0.00 0.00 52.55 54.10 1s96 s ASP 98 Cb -0.16 -2.40 -0.01 0.00 -0.00 0.00 0.00 42.92 40.34 1s96 s ASP 98 CO 0.15 0.08 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.56 1s96 s VAL 99 N -0.18 2.88 -0.21 -1.27 1.01 -0.46 -0.81 120.40 121.36 1s96 s VAL 99 Ca 0.34 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1s96 s VAL 99 Cb -0.19 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1s96 s VAL 99 CO 0.19 0.53 0.14 -0.36 0.00 0.00 0.00 175.10 175.61 1s96 s PHE 100 N 0.35 3.38 -0.29 5.22 0.40 0.41 -0.29 117.98 127.15 1s96 s PHE 100 Ca -0.12 0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1s96 s PHE 100 Cb -0.16 -2.20 0.08 0.00 0.51 0.00 0.00 43.02 41.25 1s96 s PHE 100 CO 0.06 0.22 -0.02 -1.17 0.70 0.00 0.00 175.22 175.00 1s96 s LEU 101 N 0.59 3.83 -0.16 -0.37 0.20 0.17 -1.24 118.68 121.70 1s96 s LEU 101 Ca 0.08 -1.71 -0.26 0.00 0.69 0.00 0.00 54.13 52.93 1s96 s LEU 101 Cb -0.12 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 44.13 1s96 s LEU 101 CO 0.00 -0.29 0.88 -0.62 -0.29 0.00 0.00 176.35 176.03 1s96 s ASP 102 N 1.08 7.03 0.06 3.68 -1.08 -1.26 -0.44 116.67 125.74 1s96 s ASP 102 Ca 0.01 1.27 -0.27 0.00 -0.52 0.00 0.00 52.55 53.04 1s96 s ASP 102 Cb -0.19 -2.48 0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1s96 s ASP 102 CO -0.08 -0.42 0.67 -0.51 0.52 0.00 0.00 175.17 175.36 1s96 s ILE 103 N 2.15 0.00 0.96 4.11 1.10 -0.53 -4.93 121.20 124.06 1s96 s ILE 103 Ca 0.41 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 60.41 1s96 s ILE 103 Cb -0.17 -1.00 0.17 0.00 0.15 0.00 0.00 42.46 41.61 1s96 s ILE 103 CO 0.13 0.00 1.15 1.51 -2.11 0.00 0.00 174.94 175.62 1s96 s ASP 104 N -2.11 3.06 0.45 4.50 1.47 -1.26 -4.10 116.67 118.68 1s96 s ASP 104 Ca -0.03 0.87 0.14 0.00 1.18 0.00 0.00 52.55 54.72 1s96 s ASP 104 Cb -0.01 -1.36 1.00 0.00 -0.34 0.00 0.00 42.92 42.21 1s96 s ASP 104 CO -0.04 -2.82 1.99 4.11 0.68 0.00 0.00 175.17 179.09 1s96 h TRP 105 N -1.68 0.01 -0.08 2.11 5.08 -1.95 -0.64 115.95 118.79 1s96 h TRP 105 Ca -0.50 -0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.41 1s96 h TRP 105 Cb 1.32 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1s96 h TRP 105 CO -0.15 0.18 -0.20 1.96 -1.28 0.00 0.00 178.44 178.96 1s96 h GLN 106 N 0.01 0.28 -0.62 0.12 1.08 -2.00 -1.27 115.11 112.71 1s96 h GLN 106 Ca 0.00 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1s96 h GLN 106 Cb 0.31 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1s96 h GLN 106 CO 0.02 0.79 0.33 0.78 -0.95 0.00 0.00 178.83 179.81 1s96 h GLY 107 N -0.19 0.92 0.89 3.46 0.00 -1.84 -2.28 103.07 104.02 1s96 h GLY 107 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1s96 h GLY 107 CO 0.04 0.39 0.36 0.00 0.00 0.00 0.00 176.54 177.34 1s96 h ALA 108 N 1.50 0.76 -0.56 3.60 0.00 -1.00 0.11 119.26 123.67 1s96 h ALA 108 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1s96 h ALA 108 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1s96 h ALA 108 CO -0.03 0.10 0.09 1.96 0.00 0.00 0.00 179.25 181.37 1s96 h GLN 109 N 0.72 0.89 -0.07 0.00 4.20 -0.72 -1.58 115.11 118.55 1s96 h GLN 109 Ca 0.23 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1s96 h GLN 109 Cb 0.01 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1s96 h GLN 109 CO -0.09 0.83 0.03 1.96 -0.67 0.00 0.00 178.83 180.89 1s96 h GLN 110 N 0.84 0.10 -0.43 1.46 4.20 -0.80 -2.71 115.11 117.78 1s96 h GLN 110 Ca 0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1s96 h GLN 110 Cb 0.37 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1s96 h GLN 110 CO 0.01 0.17 0.27 0.82 -0.67 0.00 0.00 178.83 179.43 1s96 h ILE 111 N -0.00 1.13 -0.72 2.54 2.04 -0.83 -3.01 117.51 118.66 1s96 h ILE 111 Ca 0.02 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1s96 h ILE 111 Cb 0.11 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1s96 h ILE 111 CO -0.00 0.13 0.47 0.03 0.00 0.00 0.00 178.15 178.78 1s96 h ARG 112 N 0.57 0.71 -0.38 2.37 3.08 -1.05 -1.15 114.38 118.53 1s96 h ARG 112 Ca 0.15 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1s96 h ARG 112 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1s96 h ARG 112 CO -0.03 0.47 -0.34 -0.56 -1.07 0.00 0.00 179.97 178.44 1s96 h GLN 113 N 0.73 0.86 -1.18 0.04 3.07 -1.41 -2.93 115.11 114.29 1s96 h GLN 113 Ca 0.31 -0.42 -0.16 0.00 0.09 0.00 0.00 58.65 58.47 1s96 h GLN 113 Cb 0.29 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.76 1s96 h GLN 113 CO -0.11 1.07 0.21 1.63 0.09 0.00 0.00 178.83 181.72 1s96 n LYS 114 N -4.07 1.39 0.00 0.06 5.02 -0.43 -5.08 118.16 115.05 1s96 n LYS 114 Ca -0.01 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 1s96 n LYS 114 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1s96 n LYS 114 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s96 n PRO 116 N 0.22 0.00 0.00 1.97 -0.02 -1.11 -5.08 135.00 130.98 1s96 n PRO 116 Ca 0.18 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1s96 n PRO 116 Cb 0.76 -0.04 0.76 0.00 -0.02 0.00 0.00 33.50 34.97 1s96 n PRO 116 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1s96 n HIS 117 N -0.53 0.00 -2.08 6.00 8.25 -1.26 -4.85 115.22 120.74 1s96 n HIS 117 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1s96 n HIS 117 Cb 0.00 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 30.90 1s96 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s96 s ALA 118 N -2.45 2.67 -0.01 -1.41 0.00 -1.26 -4.74 121.76 114.56 1s96 s ALA 118 Ca 0.31 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1s96 s ALA 118 Cb 0.20 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1s96 s ALA 118 CO 0.42 -0.86 -0.08 1.03 0.00 0.00 0.00 175.76 176.27 1s96 s ARG 119 N -3.79 2.55 0.04 0.00 1.81 0.01 -4.99 118.95 114.57 1s96 s ARG 119 Ca 0.67 -0.71 0.07 0.00 -1.72 0.00 0.00 55.73 54.05 1s96 s ARG 119 Cb -0.19 -2.49 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 1s96 s ARG 119 CO 0.34 0.61 -0.21 -1.54 -0.68 0.00 0.00 175.30 173.82 1s96 s SER 120 N -1.27 2.48 -0.08 0.23 1.04 -1.26 -0.61 113.70 114.23 1s96 s SER 120 Ca 0.16 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1s96 s SER 120 Cb -0.11 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.81 1s96 s SER 120 CO 0.06 0.16 -0.16 -0.63 0.98 0.00 0.00 173.24 173.65 1s96 s ILE 121 N -0.80 1.47 -0.07 -1.02 1.01 0.50 -1.56 121.20 120.73 1s96 s ILE 121 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1s96 s ILE 121 Cb -0.09 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1s96 s ILE 121 CO 0.02 0.43 -0.05 0.12 0.00 0.00 0.00 174.94 175.45 1s96 s PHE 122 N 0.56 2.98 -0.09 3.97 5.36 0.17 -1.71 117.98 129.23 1s96 s PHE 122 Ca -0.16 0.05 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 1s96 s PHE 122 Cb -0.17 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1s96 s PHE 122 CO 0.05 0.35 -0.21 0.42 -1.46 0.00 0.00 175.22 174.38 1s96 s ILE 123 N -0.80 2.42 0.18 3.12 1.01 -0.43 -1.09 121.20 125.60 1s96 s ILE 123 Ca 0.12 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1s96 s ILE 123 Cb -0.11 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1s96 s ILE 123 CO 0.02 0.56 -0.15 -0.76 0.00 0.00 0.00 174.94 174.60 1s96 s LEU 124 N 0.06 2.76 0.81 2.97 1.43 0.11 -4.17 118.68 122.64 1s96 s LEU 124 Ca -0.08 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1s96 s LEU 124 Cb -0.15 -1.47 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1s96 s LEU 124 CO 0.05 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.69 1s96 s PRO 125 N -2.73 1.98 0.00 1.29 0.04 -1.26 -0.16 135.00 134.16 1s96 s PRO 125 Ca 0.23 0.59 0.27 0.00 0.04 0.00 0.00 61.00 62.13 1s96 s PRO 125 Cb -0.09 -1.91 0.93 0.00 0.04 0.00 0.00 34.50 33.47 1s96 s PRO 125 CO 0.13 -1.68 1.68 -0.35 0.04 0.00 0.00 177.00 176.82 1s96 n PRO 126 N -3.46 0.80 -3.61 0.56 -0.04 -1.25 -4.67 135.00 123.32 1s96 n PRO 126 Ca 0.07 -0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.10 1s96 n PRO 126 Cb 0.57 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1s96 n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s96 s SER 127 N -2.48 -0.11 0.12 3.54 1.04 -1.26 -4.99 113.70 109.55 1s96 s SER 127 Ca 0.26 -0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 1s96 s SER 127 Cb 0.20 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1s96 s SER 127 CO 0.50 -0.26 1.61 0.50 0.98 0.00 0.00 173.24 176.58 1s96 h LYS 128 N 2.00 0.56 -0.71 4.02 1.63 -1.99 -0.12 116.57 121.97 1s96 h LYS 128 Ca -0.17 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 1s96 h LYS 128 Cb 1.18 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 1s96 h LYS 128 CO 0.25 0.61 0.39 0.82 -3.45 0.00 0.00 179.45 178.07 1s96 h ILE 129 N 0.41 1.22 -0.13 2.00 2.04 -1.99 0.73 117.51 121.80 1s96 h ILE 129 Ca 0.11 -0.54 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 1s96 h ILE 129 Cb 0.30 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1s96 h ILE 129 CO 0.00 0.24 -0.60 -0.08 0.00 0.00 0.00 178.15 177.71 1s96 h GLU 130 N 0.97 0.43 -0.47 2.37 4.57 -1.90 0.24 114.58 120.80 1s96 h GLU 130 Ca 0.25 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1s96 h GLU 130 Cb 0.03 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1s96 h GLU 130 CO -0.04 0.91 0.21 1.25 -1.18 0.00 0.00 179.01 180.15 1s96 h LEU 131 N 0.32 0.64 -0.19 1.64 5.85 -0.41 0.24 115.31 123.40 1s96 h LEU 131 Ca -0.01 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1s96 h LEU 131 Cb 1.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1s96 h LEU 131 CO 0.11 0.61 0.00 -0.78 -0.34 0.00 0.00 178.44 178.04 1s96 h ASP 132 N 0.62 -0.07 -0.58 1.25 1.82 -0.67 -0.13 116.42 118.66 1s96 h ASP 132 Ca 0.16 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 1s96 h ASP 132 Cb 0.16 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1s96 h ASP 132 CO -0.02 -0.01 0.33 -0.09 -1.61 0.00 0.00 179.24 177.85 1s96 h ARG 133 N 0.06 0.62 -0.45 0.28 2.43 -0.63 -0.25 114.38 116.45 1s96 h ARG 133 Ca 0.09 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1s96 h ARG 133 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1s96 h ARG 133 CO -0.15 0.41 -0.24 0.00 -1.51 0.00 0.00 179.97 178.49 1s96 h ARG 134 N 0.64 0.93 -0.68 0.20 3.08 -0.47 -2.60 114.38 115.48 1s96 h ARG 134 Ca 0.25 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1s96 h ARG 134 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1s96 h ARG 134 CO -0.14 1.06 0.40 -0.07 -1.07 0.00 0.00 179.97 180.15 1s96 h LEU 135 N 0.80 0.82 -1.72 3.04 3.38 -0.49 -2.14 115.31 119.01 1s96 h LEU 135 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s96 h LEU 135 Cb 0.80 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s96 h LEU 135 CO 0.07 0.64 -0.04 0.03 0.09 0.00 0.00 178.44 179.23 1s96 h ARG 136 N 0.94 0.00 0.00 1.13 3.08 -0.67 -3.47 114.38 115.39 1s96 h ARG 136 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1s96 h ARG 136 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1s96 h ARG 136 CO -0.04 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1s96 n GLY 137 N -0.21 3.70 0.17 0.04 0.00 -0.81 -0.63 105.19 107.45 1s96 n GLY 137 Ca -0.00 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1s96 n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s96 h ARG 138 N 0.00 0.00 0.00 1.61 3.08 -1.91 -3.46 114.38 113.70 1s96 h ARG 138 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s96 h ARG 138 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s96 h ARG 138 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1s96 n GLY 139 N -0.16 0.68 2.33 0.04 0.00 0.19 -4.98 105.19 103.29 1s96 n GLY 139 Ca 0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1s96 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s96 n GLN 140 N -2.21 2.97 -4.28 1.61 10.64 -1.26 -5.00 117.38 119.86 1s96 n GLN 140 Ca 0.00 -3.60 -0.18 0.00 -1.83 0.00 0.00 57.00 51.39 1s96 n GLN 140 Cb 0.09 -2.28 -0.11 0.00 -0.86 0.00 0.00 30.24 27.08 1s96 n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1s96 s ASP 141 N -2.27 2.18 0.65 2.61 1.01 -1.26 -5.14 116.67 114.45 1s96 s ASP 141 Ca 0.59 -0.90 -0.12 0.00 0.71 0.00 0.00 52.55 52.83 1s96 s ASP 141 Cb 0.47 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 44.30 1s96 s ASP 141 CO -0.06 -0.17 1.05 -0.94 0.21 0.00 0.00 175.17 175.27 1s96 s SER 142 N -2.80 5.65 0.53 0.27 1.04 -1.26 -4.88 113.70 112.25 1s96 s SER 142 Ca 0.14 1.64 0.36 0.00 0.48 0.00 0.00 55.95 58.57 1s96 s SER 142 Cb -0.03 -2.50 1.81 0.00 0.10 0.00 0.00 66.02 65.40 1s96 s SER 142 CO 0.04 -1.26 2.08 -0.33 0.98 0.00 0.00 173.24 174.75 1s96 h GLU 143 N -0.30 0.00 -0.00 4.02 4.39 -2.01 -1.90 114.58 118.78 1s96 h GLU 143 Ca -0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 1s96 h GLU 143 Cb 1.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1s96 h GLU 143 CO 0.58 0.00 -0.32 0.93 -1.16 0.00 0.00 179.01 179.03 1s96 h GLU 144 N 0.00 0.23 -0.58 2.33 5.08 -1.98 0.60 114.58 120.25 1s96 h GLU 144 Ca 0.00 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1s96 h GLU 144 Cb 0.14 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1s96 h GLU 144 CO 0.00 0.96 0.00 0.28 -1.00 0.00 0.00 179.01 179.25 1s96 h VAL 145 N -0.41 1.26 -0.16 3.13 2.07 -1.81 -1.27 116.25 119.07 1s96 h VAL 145 Ca -0.04 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1s96 h VAL 145 Cb 1.07 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1s96 h VAL 145 CO 0.06 0.40 -0.03 0.40 0.02 0.00 0.00 177.57 178.43 1s96 h ILE 146 N 0.92 1.28 -0.36 4.57 1.08 -1.39 0.63 117.51 124.23 1s96 h ILE 146 Ca 0.17 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1s96 h ILE 146 Cb 0.53 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1s96 h ILE 146 CO 0.03 0.29 0.24 0.00 -0.69 0.00 0.00 178.15 178.02 1s96 h ALA 147 N 0.73 1.85 -0.27 1.87 0.00 -0.76 -1.36 119.26 121.33 1s96 h ALA 147 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1s96 h ALA 147 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s96 h ALA 147 CO 0.01 0.11 -0.56 -0.22 0.00 0.00 0.00 179.25 178.59 1s96 h LYS 148 N 0.39 0.82 -1.07 0.00 3.64 -0.63 -1.15 116.57 118.57 1s96 h LYS 148 Ca 0.15 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1s96 h LYS 148 Cb 0.10 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1s96 h LYS 148 CO -0.03 1.15 0.00 0.54 -2.27 0.00 0.00 179.45 178.84 1s96 n ARG 149 N -3.99 0.15 0.00 1.90 1.74 0.16 -1.21 116.66 115.41 1s96 n ARG 149 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1s96 n ARG 149 Cb 0.63 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1s96 n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s96 n ALA 151 N 0.70 0.00 -0.05 7.54 0.00 -0.44 -0.84 120.51 127.42 1s96 n ALA 151 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1s96 n ALA 151 Cb 0.06 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.59 1s96 n ALA 151 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1s96 h GLN 152 N 0.00 0.70 -0.44 0.00 4.15 -1.42 -1.20 115.11 116.90 1s96 h GLN 152 Ca 0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 58.65 59.01 1s96 h GLN 152 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1s96 h GLN 152 CO 0.00 0.94 -0.02 0.00 -1.93 0.00 0.00 178.83 177.81 1s96 h ALA 153 N 1.04 0.59 -0.62 3.38 0.00 -1.24 -1.84 119.26 120.57 1s96 h ALA 153 Ca 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1s96 h ALA 153 Cb 0.86 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1s96 h ALA 153 CO 0.07 0.40 0.30 0.28 0.00 0.00 0.00 179.25 180.31 1s96 h VAL 154 N 0.62 1.22 -0.75 0.00 2.07 -1.77 -2.27 116.25 115.36 1s96 h VAL 154 Ca 0.12 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1s96 h VAL 154 Cb 0.53 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1s96 h VAL 154 CO 0.03 0.25 0.45 0.00 0.02 0.00 0.00 177.57 178.31 1s96 h ALA 155 N 1.13 0.96 0.00 1.67 0.00 -1.01 -0.86 119.26 121.15 1s96 h ALA 155 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s96 h ALA 155 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s96 h ALA 155 CO -0.03 0.44 0.00 -1.91 0.00 0.00 0.00 179.25 177.75 1s96 n GLU 156 N -4.49 0.27 0.00 0.00 4.07 -0.71 -4.02 120.64 115.76 1s96 n GLU 156 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1s96 n GLU 156 Cb 0.06 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1s96 n GLU 156 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1s96 n SER 158 N 0.74 0.00 -1.23 4.31 3.41 -0.33 -4.16 113.62 116.35 1s96 n SER 158 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1s96 n SER 158 Cb 0.12 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.36 1s96 n SER 158 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s96 n HIS 159 N 0.00 0.96 0.25 7.33 -0.00 -1.26 -4.55 115.22 117.96 1s96 n HIS 159 Ca 0.00 -0.45 0.07 0.00 -0.00 0.00 0.00 57.72 57.35 1s96 n HIS 159 Cb 0.00 -0.06 0.61 0.00 -0.00 0.00 0.00 29.99 30.54 1s96 n HIS 159 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1s96 h TYR 160 N 3.65 0.00 0.00 4.41 -0.00 -1.94 -1.75 116.97 121.34 1s96 h TYR 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1s96 h TYR 160 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.69 1s96 h TYR 160 CO 0.49 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.69 1s96 n ALA 161 N -2.53 1.71 1.78 0.10 0.00 -1.26 -2.04 120.51 118.27 1s96 n ALA 161 Ca -0.03 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1s96 n ALA 161 Cb 0.13 -1.22 0.80 0.00 0.00 0.00 0.00 19.45 19.16 1s96 n ALA 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s96 n GLU 162 N -1.39 1.07 -3.92 0.00 1.02 -0.66 -4.88 120.64 111.88 1s96 n GLU 162 Ca 0.05 -0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 56.74 1s96 n GLU 162 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1s96 n GLU 162 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s96 s TYR 163 N -2.09 3.30 0.10 -0.32 1.51 -0.86 -5.01 117.35 113.97 1s96 s TYR 163 Ca 0.42 -0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1s96 s TYR 163 Cb 0.21 -1.61 -0.21 0.00 -0.11 0.00 0.00 41.96 40.25 1s96 s TYR 163 CO 0.38 0.38 1.21 -0.44 -1.11 0.00 0.00 175.55 175.97 1s96 h ASP 164 N 1.21 0.41 -4.43 2.29 3.32 -1.67 -3.47 116.42 114.08 1s96 h ASP 164 Ca -0.50 -0.40 -0.43 0.00 0.02 0.00 0.00 57.03 55.72 1s96 h ASP 164 Cb 1.24 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 1s96 h ASP 164 CO 0.60 1.27 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.29 1s96 s TYR 165 N -2.86 1.30 -0.08 4.55 1.51 -0.60 -5.00 117.35 116.16 1s96 s TYR 165 Ca -0.04 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1s96 s TYR 165 Cb 0.08 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1s96 s TYR 165 CO 0.87 0.08 -0.16 -1.17 -1.11 0.00 0.00 175.55 174.06 1s96 s LEU 166 N -1.78 1.78 -0.12 -1.29 2.96 -1.26 -0.65 118.68 118.31 1s96 s LEU 166 Ca -0.01 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1s96 s LEU 166 Cb -0.10 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 1s96 s LEU 166 CO 0.03 0.06 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.37 1s96 s ILE 167 N 0.65 3.13 -0.39 6.68 1.01 -0.25 -4.97 121.20 127.06 1s96 s ILE 167 Ca -0.14 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 1s96 s ILE 167 Cb -0.16 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1s96 s ILE 167 CO 0.04 0.53 0.25 -0.69 0.00 0.00 0.00 174.94 175.08 1s96 s VAL 168 N 0.20 4.92 -1.09 2.92 1.01 -1.26 -0.72 120.40 126.38 1s96 s VAL 168 Ca -0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1s96 s VAL 168 Cb -0.15 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1s96 s VAL 168 CO 0.05 -0.28 1.37 0.21 0.00 0.00 0.00 175.10 176.45 1s96 s ASN 169 N 1.62 6.78 0.00 3.32 3.84 0.77 -4.73 114.94 126.53 1s96 s ASN 169 Ca 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 52.86 50.80 1s96 s ASN 169 Cb -0.19 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1s96 s ASN 169 CO 0.08 -1.06 0.00 -0.67 -2.79 0.00 0.00 177.10 172.67 1s96 n ASP 170 N 6.95 0.00 -4.69 -4.21 -0.08 -1.26 -3.97 116.55 109.29 1s96 n ASP 170 Ca 0.33 0.18 -0.39 0.00 -1.51 0.00 0.00 54.79 53.40 1s96 n ASP 170 Cb 0.47 -0.34 -0.06 0.00 2.34 0.00 0.00 41.12 43.54 1s96 n ASP 170 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1s96 s ASP 171 N -2.66 6.74 0.19 1.67 2.15 -1.26 -4.95 116.67 118.55 1s96 s ASP 171 Ca 0.00 0.89 -0.11 0.00 0.43 0.00 0.00 52.55 53.75 1s96 s ASP 171 Cb 0.00 -2.33 0.21 0.00 -0.30 0.00 0.00 42.92 40.49 1s96 s ASP 171 CO 0.00 -0.13 1.77 0.15 -0.17 0.00 0.00 175.17 176.79 1s96 h PHE 172 N 7.05 0.46 -0.64 -5.34 3.57 -1.98 -1.22 116.94 118.84 1s96 h PHE 172 Ca -0.37 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.08 1s96 h PHE 172 Cb 1.17 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1s96 h PHE 172 CO 0.66 0.19 0.11 -0.44 -2.23 0.00 0.00 178.31 176.60 1s96 h ASP 173 N 0.48 1.01 0.01 0.41 3.32 -1.99 0.18 116.42 119.83 1s96 h ASP 173 Ca 0.27 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1s96 h ASP 173 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1s96 h ASP 173 CO -0.22 1.01 -0.05 0.74 -1.72 0.00 0.00 179.24 179.00 1s96 h THR 174 N 0.97 1.10 0.04 0.35 2.02 -1.75 -1.16 112.91 114.47 1s96 h THR 174 Ca 0.19 -0.40 -0.23 0.00 0.77 0.00 0.00 66.41 66.75 1s96 h THR 174 Cb 0.43 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1s96 h THR 174 CO 0.01 0.12 -1.02 0.00 0.37 0.00 0.00 175.52 175.01 1s96 h ALA 175 N 1.83 0.33 -0.35 6.16 0.00 -0.43 -1.72 119.26 125.07 1s96 h ALA 175 Ca 0.03 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1s96 h ALA 175 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s96 h ALA 175 CO 0.01 0.93 -0.12 1.25 0.00 0.00 0.00 179.25 181.32 1s96 h LEU 176 N 0.12 0.60 -0.85 0.00 5.85 -0.27 -1.51 115.31 119.25 1s96 h LEU 176 Ca -0.08 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1s96 h LEU 176 Cb 1.69 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1s96 h LEU 176 CO 0.16 0.75 0.00 0.74 -0.34 0.00 0.00 178.44 179.76 1s96 h THR 177 N 0.56 1.25 -0.41 1.05 2.02 -0.99 -1.11 112.91 115.29 1s96 h THR 177 Ca 0.10 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.26 1s96 h THR 177 Cb 0.54 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1s96 h THR 177 CO 0.03 0.37 0.24 0.44 0.37 0.00 0.00 175.52 176.97 1s96 h ASP 178 N 0.79 0.38 -0.16 4.18 3.32 -0.80 0.38 116.42 124.51 1s96 h ASP 178 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s96 h ASP 178 Cb 0.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1s96 h ASP 178 CO 0.02 0.27 0.09 0.25 -1.72 0.00 0.00 179.24 178.15 1s96 h LEU 179 N 0.48 0.20 -1.19 1.55 5.85 -1.06 -0.48 115.31 120.66 1s96 h LEU 179 Ca 0.16 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1s96 h LEU 179 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1s96 h LEU 179 CO -0.08 0.22 0.54 0.11 -0.34 0.00 0.00 178.44 178.90 1s96 h LYS 180 N 0.16 1.08 -0.66 1.25 1.57 -0.81 -2.15 116.57 117.02 1s96 h LYS 180 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1s96 h LYS 180 Cb 0.07 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1s96 h LYS 180 CO -0.01 0.72 0.34 1.15 -0.57 0.00 0.00 179.45 181.08 1s96 h THR 181 N 1.12 1.21 -0.33 -0.16 2.02 0.36 -0.50 112.91 116.63 1s96 h THR 181 Ca 0.30 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1s96 h THR 181 Cb -0.13 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1s96 h THR 181 CO -0.06 0.24 0.18 0.40 0.37 0.00 0.00 175.52 176.64 1s96 h ILE 182 N 0.91 1.01 -0.50 3.11 2.04 -0.53 0.55 117.51 124.11 1s96 h ILE 182 Ca 0.23 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 1s96 h ILE 182 Cb 0.07 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1s96 h ILE 182 CO -0.03 0.07 0.01 0.40 0.00 0.00 0.00 178.15 178.59 1s96 h ILE 183 N 0.37 1.26 -0.28 -0.67 2.04 -1.10 -0.66 117.51 118.47 1s96 h ILE 183 Ca 0.13 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1s96 h ILE 183 Cb 0.03 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1s96 h ILE 183 CO -0.08 0.37 0.01 -0.09 0.00 0.00 0.00 178.15 178.36 1s96 h ARG 184 N 0.73 0.49 -0.63 2.37 9.65 -0.83 -2.15 114.38 124.01 1s96 h ARG 184 Ca 0.14 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1s96 h ARG 184 Cb 0.50 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 1s96 h ARG 184 CO 0.02 0.63 0.40 0.00 2.80 0.00 0.00 179.97 183.82 1s96 h ALA 185 N 0.84 0.82 -0.91 2.80 0.00 -0.71 -1.51 119.26 120.59 1s96 h ALA 185 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1s96 h ALA 185 Cb 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1s96 h ALA 185 CO 0.01 0.17 0.51 0.93 0.00 0.00 0.00 179.25 180.88 1s96 h GLU 186 N 0.80 1.25 0.00 0.00 4.39 -1.05 0.36 114.58 120.33 1s96 h GLU 186 Ca 0.25 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1s96 h GLU 186 Cb -0.02 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 1s96 h GLU 186 CO -0.09 0.90 0.00 0.54 -1.16 0.00 0.00 179.01 179.20 1s96 n ARG 187 N -4.34 0.09 0.00 2.33 1.74 -0.64 -2.22 116.66 113.63 1s96 n ARG 187 Ca 0.10 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.69 1s96 n ARG 187 Cb 0.08 -1.70 0.35 0.00 -1.02 0.00 0.00 32.46 30.18 1s96 n ARG 187 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1s96 n LEU 188 N -1.88 1.06 0.00 0.55 4.77 0.10 -4.16 117.00 117.45 1s96 n LEU 188 Ca 0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1s96 n LEU 188 Cb 0.17 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1s96 n LEU 188 CO 0.15 0.20 0.00 0.54 -1.33 0.00 0.00 177.39 176.95 1s96 n ARG 189 N -0.64 2.69 0.00 3.23 1.74 -0.94 -4.72 116.66 118.02 1s96 n ARG 189 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1s96 n ARG 189 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1s96 n ARG 189 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s96 n SER 191 N 0.00 0.00 0.03 0.55 3.41 -1.26 -0.54 113.62 115.82 1s96 n SER 191 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1s96 n SER 191 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1s96 n SER 191 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s96 h ARG 192 N 0.00 0.20 -0.57 4.33 3.08 -1.88 -3.35 114.38 116.20 1s96 h ARG 192 Ca 0.00 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 1s96 h ARG 192 Cb 0.00 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1s96 h ARG 192 CO 0.00 1.01 -0.02 1.96 -1.07 0.00 0.00 179.97 181.85 1s96 h GLN 193 N 0.05 1.01 0.00 0.04 1.08 -0.97 -1.55 115.11 114.77 1s96 h GLN 193 Ca -0.29 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1s96 h GLN 193 Cb 2.02 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1s96 h GLN 193 CO 0.13 1.01 -0.02 -0.22 -0.95 0.00 0.00 178.83 178.79 1s96 h LYS 194 N 0.90 0.00 0.06 1.46 3.64 -1.79 -0.21 116.57 120.62 1s96 h LYS 194 Ca 0.16 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 1s96 h LYS 194 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1s96 h LYS 194 CO 0.03 0.02 -1.16 0.37 -2.27 0.00 0.00 179.45 176.43 1s96 h GLN 195 N 0.00 0.12 -0.73 1.90 -0.00 -1.62 -2.88 115.11 111.90 1s96 h GLN 195 Ca -0.00 -0.20 0.02 0.00 -0.00 0.00 0.00 58.65 58.47 1s96 h GLN 195 Cb 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.69 1s96 h GLN 195 CO 0.00 1.10 0.48 -0.09 0.00 0.00 0.00 178.83 180.32 1s96 h ARG 196 N -0.65 0.91 -0.32 1.69 2.43 -0.90 -2.83 114.38 114.71 1s96 h ARG 196 Ca -0.28 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1s96 h ARG 196 Cb 1.49 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1s96 h ARG 196 CO -0.05 0.60 0.00 0.72 -1.51 0.00 0.00 179.97 179.73 1s96 n HIS 197 N -4.44 1.01 -0.28 2.20 8.25 -0.12 -4.71 115.22 117.13 1s96 n HIS 197 Ca 0.09 -0.81 0.06 0.00 -0.26 0.00 0.00 57.72 56.80 1s96 n HIS 197 Cb 0.08 -0.29 0.17 0.00 1.12 0.00 0.00 29.99 31.07 1s96 n HIS 197 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1s96 h ASP 198 N 2.12 -0.44 -0.19 0.41 1.82 -1.26 0.50 116.42 119.38 1s96 h ASP 198 Ca 0.00 0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1s96 h ASP 198 Cb 1.41 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 41.81 1s96 h ASP 198 CO 0.22 -0.22 -0.07 0.00 -1.61 0.00 0.00 179.24 177.56 1s96 h ALA 199 N 1.77 0.26 0.14 -0.78 0.00 -1.85 0.27 119.26 119.07 1s96 h ALA 199 Ca 0.44 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s96 h ALA 199 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1s96 h ALA 199 CO -0.74 0.06 -0.20 1.25 0.00 0.00 0.00 179.25 179.62 1s96 h LEU 200 N 0.08 -0.55 -0.46 0.00 5.85 -1.66 0.08 115.31 118.65 1s96 h LEU 200 Ca 0.04 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1s96 h LEU 200 Cb 0.53 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1s96 h LEU 200 CO 0.02 -0.29 0.17 0.40 -0.34 0.00 0.00 178.44 178.41 1s96 h ILE 201 N -0.40 0.86 -0.85 4.05 2.04 0.03 0.17 117.51 123.41 1s96 h ILE 201 Ca 0.02 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1s96 h ILE 201 Cb 0.40 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1s96 h ILE 201 CO -0.09 0.06 0.56 -1.28 0.00 0.00 0.00 178.15 177.41 1s96 h SER 202 N 0.35 0.96 -0.34 1.72 0.87 -0.57 -1.64 113.55 114.90 1s96 h SER 202 Ca 0.22 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1s96 h SER 202 Cb 0.21 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1s96 h SER 202 CO -0.21 0.69 -0.28 0.11 -0.53 0.00 0.00 176.83 176.60 1s96 h LYS 203 N 1.13 0.86 -0.63 2.24 1.57 0.43 -2.04 116.57 120.13 1s96 h LYS 203 Ca 0.32 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1s96 h LYS 203 Cb -0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1s96 h LYS 203 CO -0.07 1.03 0.34 -0.07 -0.57 0.00 0.00 179.45 180.11 1s96 h LEU 204 N 0.73 0.77 0.00 2.94 3.38 -0.05 -2.77 115.31 120.31 1s96 h LEU 204 Ca 0.08 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1s96 h LEU 204 Cb 0.84 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1s96 h LEU 204 CO 0.07 0.62 -0.40 -0.07 0.09 0.00 0.00 178.44 178.75 1s96 h LEU 205 N 0.87 0.00-10.16 1.67 3.38 -1.19 -3.46 115.31 106.41 1s96 h LEU 205 Ca 0.22 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.66 1s96 h LEU 205 Cb 0.02 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.92 1s96 h LEU 205 CO -0.04 0.32 0.41 0.00 0.09 0.00 0.00 178.44 179.22 1s96 s ALA 206 N -3.05 2.21 0.00 1.53 0.00 -0.78 -5.12 121.76 116.55 1s96 s ALA 206 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1s96 s ALA 206 Cb 0.07 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1s96 s ALA 206 CO 0.73 -1.73 0.00 -0.25 0.00 0.00 0.00 175.76 174.50