#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ile s VAL 7 N 0.00 -0.02 0.21 2.52 1.01 -1.18 -4.94 120.40 118.00 3ile s VAL 7 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3ile s VAL 7 Cb 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.62 3ile s VAL 7 CO 0.00 0.02 1.01 -1.61 0.00 0.00 0.00 175.10 174.52 3ile s GLU 8 N 1.16 4.73 0.13 2.72 2.02 -1.26 -1.25 118.70 126.94 3ile s GLU 8 Ca -0.07 1.59 0.01 0.00 0.02 0.00 0.00 54.97 56.52 3ile s GLU 8 Cb -0.07 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3ile s GLU 8 CO -0.11 0.30 -0.01 -0.47 0.02 0.00 0.00 175.26 175.00 3ile s TYR 9 N -0.73 0.98 -0.04 1.61 5.04 -0.52 -4.97 117.35 118.72 3ile s TYR 9 Ca 0.45 -1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 54.03 3ile s TYR 9 Cb -0.27 -0.57 0.03 0.00 0.35 0.00 0.00 41.96 41.50 3ile s TYR 9 CO 0.34 -0.28 -0.00 -2.00 -1.34 0.00 0.00 175.55 172.27 3ile s GLU 10 N -3.92 0.45 0.39 4.97 2.12 -1.26 -2.24 118.70 119.20 3ile s GLU 10 Ca 0.19 0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.64 3ile s GLU 10 Cb 0.06 -0.69 -0.05 0.00 0.26 0.00 0.00 34.13 33.71 3ile s GLU 10 CO -0.00 -0.19 0.05 0.14 -0.54 0.00 0.00 175.26 174.72 3ile s VAL 11 N 1.38 1.26 -0.14 3.70 -7.23 -0.84 -5.02 120.40 113.52 3ile s VAL 11 Ca -0.04 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 3ile s VAL 11 Cb -0.13 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3ile s VAL 11 CO -0.02 0.00 0.11 -0.69 -0.31 0.00 0.00 175.10 174.19 3ile s VAL 12 N -3.08 5.26 -0.28 1.32 1.01 -1.26 -1.34 120.40 122.04 3ile s VAL 12 Ca 0.29 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3ile s VAL 12 Cb 0.07 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.27 3ile s VAL 12 CO 0.14 0.57 0.32 -0.55 0.00 0.00 0.00 175.10 175.58 3ile s SER 13 N -0.61 1.23 -0.20 3.32 0.15 -0.99 0.35 113.70 116.96 3ile s SER 13 Ca 0.12 -0.54 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 3ile s SER 13 Cb -0.12 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 3ile s SER 13 CO 0.02 -0.37 0.53 -1.59 1.20 0.00 0.00 173.24 173.03 3ile s LYS 14 N 2.42 0.60 -0.41 5.44 -2.85 0.56 -3.35 119.74 122.14 3ile s LYS 14 Ca 0.10 0.77 0.01 0.00 -1.00 0.00 0.00 55.97 55.85 3ile s LYS 14 Cb -0.14 0.26 0.14 0.00 -2.06 0.00 0.00 37.83 36.03 3ile s LYS 14 CO -0.29 -0.09 0.23 1.21 0.10 0.00 0.00 175.35 176.51 3ile s ASN 15 N 0.48 3.46 0.45 0.03 2.47 -1.25 -1.26 114.94 119.32 3ile s ASN 15 Ca -0.02 -2.47 0.00 0.00 0.42 0.00 0.00 52.86 50.80 3ile s ASN 15 Cb -0.04 -0.84 0.05 0.00 -1.45 0.00 0.00 41.25 38.96 3ile s ASN 15 CO -0.02 -0.28 0.32 0.18 -3.72 0.00 0.00 177.10 173.58 3ile n LEU 16 N 3.72 0.00 0.16 3.21 4.77 -0.82 -0.21 117.00 127.83 3ile n LEU 16 Ca 0.09 -0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 55.20 3ile n LEU 16 Cb 0.35 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3ile n LEU 16 CO 0.21 -0.65 0.78 0.74 -1.33 0.00 0.00 177.39 177.14 3ile h THR 17 N -0.38 0.76 0.09 -5.08 2.02 -2.02 -3.36 112.91 104.94 3ile h THR 17 Ca -0.11 -0.04 -0.35 0.00 0.77 0.00 0.00 66.41 66.69 3ile h THR 17 Cb 0.41 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3ile h THR 17 CO 0.12 0.01 -1.94 -1.54 0.37 0.00 0.00 175.52 172.54 3ile n SER 18 N -5.23 1.76 -4.32 4.18 3.41 -1.26 -4.90 113.62 107.27 3ile n SER 18 Ca -0.09 0.25 -0.17 0.00 -0.26 0.00 0.00 58.87 58.60 3ile n SER 18 Cb 0.16 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 3ile n SER 18 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3ile s LYS 19 N -2.57 1.41 -0.10 4.33 -2.85 -1.26 -1.20 119.74 117.50 3ile s LYS 19 Ca -0.18 -1.76 -0.04 0.00 -1.00 0.00 0.00 55.97 52.99 3ile s LYS 19 Cb 0.07 -0.29 0.05 0.00 -2.06 0.00 0.00 37.83 35.60 3ile s LYS 19 CO 0.78 -0.28 0.22 1.41 0.10 0.00 0.00 175.35 177.58 3ile s MET 20 N -4.02 0.13 -0.28 1.78 1.75 0.53 -1.95 119.30 117.24 3ile s MET 20 Ca 0.37 0.59 -0.04 0.00 -1.25 0.00 0.00 55.69 55.37 3ile s MET 20 Cb 0.08 -0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.64 3ile s MET 20 CO 0.13 -0.24 0.00 -1.12 -0.65 0.00 0.00 175.02 173.15 3ile s SER 21 N 1.87 4.71 -0.31 1.11 0.01 -0.39 -0.02 113.70 120.68 3ile s SER 21 Ca -0.03 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.36 3ile s SER 21 Cb -0.11 -1.75 0.09 0.00 0.21 0.00 0.00 66.02 64.45 3ile s SER 21 CO -0.08 -0.18 0.02 -2.28 0.41 0.00 0.00 173.24 171.13 3ile s HIS 22 N 1.37 3.12 -0.11 2.43 2.46 0.30 -0.32 115.29 124.54 3ile s HIS 22 Ca 0.00 -2.48 0.03 0.00 0.47 0.00 0.00 55.06 53.08 3ile s HIS 22 Cb -0.17 -2.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 3ile s HIS 22 CO -0.01 -0.90 -0.23 -1.21 -2.47 0.00 0.00 174.74 169.92 3ile s GLU 23 N 1.13 3.01 0.10 2.88 2.02 0.15 -0.67 118.70 127.32 3ile s GLU 23 Ca 0.05 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.26 3ile s GLU 23 Cb -0.19 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 3ile s GLU 23 CO -0.10 0.11 -0.20 -0.51 0.02 0.00 0.00 175.26 174.57 3ile s LEU 24 N 0.52 2.29 -0.07 1.80 1.43 -0.47 -4.60 118.68 119.58 3ile s LEU 24 Ca -0.15 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3ile s LEU 24 Cb -0.17 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 3ile s LEU 24 CO 0.05 0.05 -0.19 -0.22 0.23 0.00 0.00 176.35 176.26 3ile s LEU 25 N -1.86 2.40 -0.02 1.79 0.20 -1.26 0.43 118.68 120.35 3ile s LEU 25 Ca 0.05 -0.38 -0.00 0.00 0.69 0.00 0.00 54.13 54.49 3ile s LEU 25 Cb -0.10 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 3ile s LEU 25 CO 0.04 0.26 0.05 0.12 -0.29 0.00 0.00 176.35 176.53 3ile s PHE 26 N -0.26 3.22 -0.26 5.38 5.36 0.20 -0.93 117.98 130.69 3ile s PHE 26 Ca 0.00 0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 56.01 3ile s PHE 26 Cb -0.13 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 3ile s PHE 26 CO 0.03 0.52 0.39 0.45 -1.46 0.00 0.00 175.22 175.15 3ile s SER 27 N -1.53 6.29 0.14 6.13 0.15 -0.03 -2.36 113.70 122.50 3ile s SER 27 Ca 0.20 0.34 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 3ile s SER 27 Cb -0.12 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3ile s SER 27 CO 0.11 -0.17 1.63 0.58 1.20 0.00 0.00 173.24 176.58 3ile h VAL 28 N 5.33 1.25 0.62 4.45 2.07 -1.79 0.32 116.25 128.50 3ile h VAL 28 Ca -0.32 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3ile h VAL 28 Cb 1.16 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3ile h VAL 28 CO 0.66 0.32 -0.30 0.50 0.02 0.00 0.00 177.57 178.77 3ile h LYS 29 N 0.64 -0.80 0.00 1.57 3.64 -1.93 -3.15 116.57 116.54 3ile h LYS 29 Ca 0.14 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ile h LYS 29 Cb 0.38 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ile h LYS 29 CO 0.01 -0.49 0.00 1.63 -2.27 0.00 0.00 179.45 178.33 3ile n LYS 30 N -5.36 0.13 -3.02 1.90 5.02 -1.14 -4.87 118.16 110.82 3ile n LYS 30 Ca -0.12 0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 56.40 3ile n LYS 30 Cb 0.35 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3ile n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ile n ARG 31 N -2.03 -3.67 -3.83 1.97 1.74 0.11 -4.76 116.66 106.19 3ile n ARG 31 Ca 0.01 0.70 -0.06 0.00 -0.77 0.00 0.00 57.85 57.73 3ile n ARG 31 Cb 0.16 -5.45 0.01 0.00 -1.02 0.00 0.00 32.46 26.16 3ile n ARG 31 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ile s TRP 32 N -2.98 -0.01 0.69 -1.55 -0.00 -1.22 -2.92 118.94 110.96 3ile s TRP 32 Ca 0.27 -0.48 -0.15 0.00 -0.00 0.00 0.00 56.10 55.75 3ile s TRP 32 Cb -0.13 0.74 0.02 0.00 -0.00 0.00 0.00 33.47 34.09 3ile s TRP 32 CO 0.34 -1.18 1.17 -0.06 -0.00 0.00 0.00 176.95 177.21 3ile s PHE 33 N -2.81 2.30 -0.10 5.86 0.08 -1.26 -0.85 117.98 121.19 3ile s PHE 33 Ca 0.15 1.58 -0.24 0.00 0.12 0.00 0.00 56.93 58.54 3ile s PHE 33 Cb -0.04 -3.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.04 3ile s PHE 33 CO 0.07 -2.20 0.75 0.08 -0.10 0.00 0.00 175.22 173.82 3ile s VAL 34 N -2.11 4.98 -0.16 -0.44 1.01 -0.11 -4.63 120.40 118.94 3ile s VAL 34 Ca 0.71 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.92 3ile s VAL 34 Cb -0.25 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3ile s VAL 34 CO 0.43 0.17 2.07 -0.75 0.00 0.00 0.00 175.10 177.02 3ile s LYS 35 N 1.31 3.45 0.19 2.72 2.47 -1.26 -4.86 119.74 123.76 3ile s LYS 35 Ca 0.38 2.10 -0.24 0.00 -1.56 0.00 0.00 55.97 56.65 3ile s LYS 35 Cb -0.17 -4.28 -0.08 0.00 -1.46 0.00 0.00 37.83 31.84 3ile s LYS 35 CO 0.16 -1.73 0.77 -1.25 0.16 0.00 0.00 175.35 173.47 3ile s PRO 36 N 5.68 4.50 0.27 4.03 0.05 -1.26 -4.77 135.00 143.50 3ile s PRO 36 Ca 0.93 1.10 0.14 0.00 0.05 0.00 0.00 61.00 63.23 3ile s PRO 36 Cb -0.34 -3.15 0.10 0.00 0.05 0.00 0.00 34.50 31.16 3ile s PRO 36 CO 0.36 0.52 1.46 0.27 0.05 0.00 0.00 177.00 179.65 3ile h PHE 37 N 4.06 0.00 -2.73 0.56 -5.15 -1.50 -3.46 116.94 108.73 3ile h PHE 37 Ca -0.47 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.20 3ile h PHE 37 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 37.18 3ile h PHE 37 CO 0.64 0.55 -0.12 0.50 -2.00 0.00 0.00 178.31 177.88 3ile s ARG 38 N -3.00 0.81 0.03 6.09 3.52 -1.16 -5.04 118.95 120.19 3ile s ARG 38 Ca 0.03 -0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.61 3ile s ARG 38 Cb 0.08 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3ile s ARG 38 CO 0.75 -0.24 -0.17 -3.38 -0.81 0.00 0.00 175.30 171.45 3ile s HIS 39 N -1.40 1.51 -0.51 5.12 -3.43 -1.26 -0.73 115.29 114.58 3ile s HIS 39 Ca -0.12 -0.34 0.01 0.00 -0.80 0.00 0.00 55.06 53.81 3ile s HIS 39 Cb -0.03 -0.91 0.13 0.00 -1.43 0.00 0.00 32.58 30.34 3ile s HIS 39 CO 0.05 0.04 0.28 0.34 -2.00 0.00 0.00 174.74 173.45 3ile s ASP 40 N -0.95 4.76 0.28 7.38 2.15 0.14 -4.89 116.67 125.54 3ile s ASP 40 Ca 0.05 -2.74 -0.02 0.00 0.43 0.00 0.00 52.55 50.27 3ile s ASP 40 Cb -0.08 -1.72 0.43 0.00 -0.30 0.00 0.00 42.92 41.25 3ile s ASP 40 CO 0.01 -0.33 1.93 0.03 -0.17 0.00 0.00 175.17 176.64 3ile h ARG 41 N 6.98 1.11 0.59 4.34 3.08 -1.91 0.56 114.38 129.14 3ile h ARG 41 Ca -0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3ile h ARG 41 Cb 0.94 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.75 3ile h ARG 41 CO 0.67 0.74 -0.28 1.96 -1.07 0.00 0.00 179.97 181.98 3ile h GLN 42 N 1.15 -0.77 -0.53 0.04 1.08 -1.90 -3.03 115.11 111.15 3ile h GLN 42 Ca 0.37 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3ile h GLN 42 Cb 0.03 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3ile h GLN 42 CO -0.11 -0.48 0.00 1.28 -0.95 0.00 0.00 178.83 178.56 3ile n LEU 43 N -5.40 3.42 -3.00 1.46 4.77 -1.23 -4.99 117.00 112.02 3ile n LEU 43 Ca -0.13 -1.61 -0.04 0.00 -0.03 0.00 0.00 56.01 54.21 3ile n LEU 43 Cb 0.34 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3ile n LEU 43 CO 0.36 0.80 0.24 0.61 -1.33 0.00 0.00 177.39 178.08 3ile n GLY 44 N 1.52 -1.13 3.18 -0.72 0.00 0.17 -4.93 105.19 103.28 3ile n GLY 44 Ca 0.21 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 3ile n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ile s LYS 45 N -3.37 0.56 -0.09 1.61 1.02 0.12 -2.33 119.74 117.26 3ile s LYS 45 Ca 0.12 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.95 3ile s LYS 45 Cb -0.02 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 3ile s LYS 45 CO 0.70 -0.14 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.38 3ile s LEU 46 N -1.12 2.99 -0.15 3.17 1.43 -0.45 0.28 118.68 124.83 3ile s LEU 46 Ca -0.12 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ile s LEU 46 Cb -0.05 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3ile s LEU 46 CO 0.03 0.29 -0.18 -1.00 0.23 0.00 0.00 176.35 175.73 3ile s HIS 47 N -0.41 2.74 0.07 0.29 3.76 0.09 -1.98 115.29 119.86 3ile s HIS 47 Ca 0.05 -1.12 0.10 0.00 -0.15 0.00 0.00 55.06 53.94 3ile s HIS 47 Cb -0.12 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 3ile s HIS 47 CO 0.02 -0.51 -0.26 0.71 -0.85 0.00 0.00 174.74 173.85 3ile s TYR 48 N 0.78 2.30 -0.32 1.40 2.02 -0.95 -1.13 117.35 121.46 3ile s TYR 48 Ca -0.06 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3ile s TYR 48 Cb -0.15 -1.34 0.07 0.00 -0.40 0.00 0.00 41.96 40.14 3ile s TYR 48 CO -0.00 0.19 0.02 0.15 -1.57 0.00 0.00 175.55 174.34 3ile s LYS 49 N -1.50 2.09 -0.24 -0.62 1.02 -1.26 -1.44 119.74 117.79 3ile s LYS 49 Ca 0.12 -1.53 -0.08 0.00 0.02 0.00 0.00 55.97 54.50 3ile s LYS 49 Cb -0.10 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3ile s LYS 49 CO 0.03 -0.76 0.09 -0.51 -0.92 0.00 0.00 175.35 173.29 3ile s LEU 50 N 1.11 3.64 0.28 3.17 1.43 -0.38 -4.92 118.68 123.00 3ile s LEU 50 Ca -0.00 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 3ile s LEU 50 Cb -0.20 -1.97 -0.12 0.00 0.03 0.00 0.00 46.19 43.92 3ile s LEU 50 CO -0.04 0.00 1.55 0.18 0.23 0.00 0.00 176.35 178.27 3ile n LEU 51 N 4.67 4.00 -4.66 1.79 4.77 -1.26 -3.08 117.00 123.23 3ile n LEU 51 Ca -0.16 1.14 -0.56 0.00 -0.03 0.00 0.00 56.01 56.41 3ile n LEU 51 Cb 0.52 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 39.99 3ile n LEU 51 CO 0.32 -0.03 1.15 -2.65 -1.33 0.00 0.00 177.39 174.86 3ile n PRO 52 N 2.18 1.12 -3.20 3.23 -0.02 -1.26 -4.82 135.00 132.23 3ile n PRO 52 Ca 0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3ile n PRO 52 Cb 0.35 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3ile n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ile n GLY 53 N 3.51 -0.54 3.78 -1.23 0.00 -1.07 -4.99 105.19 104.64 3ile n GLY 53 Ca 0.23 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3ile n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ile s ASN 54 N -4.00 5.85 -0.03 1.61 -0.87 -1.26 -1.85 114.94 114.39 3ile s ASN 54 Ca 0.00 0.30 -0.02 0.00 -1.57 0.00 0.00 52.86 51.57 3ile s ASN 54 Cb 0.00 -1.82 0.01 0.00 -0.02 0.00 0.00 41.25 39.42 3ile s ASN 54 CO 0.00 0.37 0.08 -0.31 -2.57 0.00 0.00 177.10 174.67 3ile s TYR 55 N -0.82 -0.08 -0.18 2.20 2.02 -0.68 -2.45 117.35 117.36 3ile s TYR 55 Ca 0.13 0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.92 3ile s TYR 55 Cb -0.12 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 3ile s TYR 55 CO 0.03 -0.06 0.32 0.42 -1.57 0.00 0.00 175.55 174.69 3ile s ILE 56 N 0.34 5.27 -0.22 2.71 1.01 -0.99 0.09 121.20 129.41 3ile s ILE 56 Ca -0.02 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 3ile s ILE 56 Cb -0.04 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3ile s ILE 56 CO -0.01 0.33 0.20 -0.75 0.00 0.00 0.00 174.94 174.71 3ile s LYS 57 N 0.85 4.13 -0.31 2.79 2.20 -0.01 0.59 119.74 129.97 3ile s LYS 57 Ca 0.17 -0.15 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 3ile s LYS 57 Cb -0.14 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3ile s LYS 57 CO 0.06 0.11 0.27 -0.06 -0.36 0.00 0.00 175.35 175.37 3ile s PHE 58 N 0.89 3.22 -0.19 4.03 0.08 0.17 -1.10 117.98 125.09 3ile s PHE 58 Ca 0.10 0.03 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 3ile s PHE 58 Cb -0.13 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 3ile s PHE 58 CO 0.04 -0.30 0.04 0.20 -0.10 0.00 0.00 175.22 175.10 3ile s GLY 59 N 1.73 1.85 -0.13 4.36 0.00 -1.04 -1.37 107.32 112.71 3ile s GLY 59 Ca 0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 3ile s GLY 59 CO 0.11 0.11 -0.07 -2.27 0.00 0.00 0.00 173.10 170.97 3ile s LEU 60 N 0.57 1.34 -0.15 0.66 2.96 0.16 -0.52 118.68 123.70 3ile s LEU 60 Ca 0.02 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3ile s LEU 60 Cb -0.13 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.69 3ile s LEU 60 CO 0.02 -0.13 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.41 3ile s TYR 61 N 1.67 2.50 -0.14 5.38 2.02 -0.35 -0.54 117.35 127.89 3ile s TYR 61 Ca 0.04 -1.36 -0.02 0.00 -0.37 0.00 0.00 57.07 55.35 3ile s TYR 61 Cb -0.13 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.72 3ile s TYR 61 CO -0.08 -0.67 0.01 0.08 -1.57 0.00 0.00 175.55 173.32 3ile s VAL 62 N 1.14 0.54 -0.49 0.71 1.01 0.96 -0.25 120.40 124.01 3ile s VAL 62 Ca -0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3ile s VAL 62 Cb -0.14 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3ile s VAL 62 CO -0.07 0.02 0.70 -0.76 0.00 0.00 0.00 175.10 174.98 3ile s LEU 63 N 1.88 4.64 0.01 3.92 1.43 -0.57 -0.35 118.68 129.64 3ile s LEU 63 Ca 0.02 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.25 3ile s LEU 63 Cb -0.15 -2.62 -0.18 0.00 0.03 0.00 0.00 46.19 43.28 3ile s LEU 63 CO -0.07 -0.93 1.35 0.11 0.23 0.00 0.00 176.35 177.04 3ile h LYS 64 N 9.03 -0.18 -0.01 1.70 1.57 -1.39 0.88 116.57 128.17 3ile h LYS 64 Ca -0.27 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3ile h LYS 64 Cb 1.09 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ile h LYS 64 CO 0.97 0.14 0.04 -0.91 -0.57 0.00 0.00 179.45 179.12 3ile h ASN 65 N -0.51 0.00 -0.12 0.86 2.35 -1.91 0.32 115.58 116.57 3ile h ASN 65 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ile h ASN 65 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ile h ASN 65 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 3ile n GLN 66 N -3.36 1.96 -4.26 0.81 1.13 -1.00 -4.92 117.38 107.74 3ile n GLN 66 Ca -0.03 -1.42 -0.37 0.00 -1.94 0.00 0.00 57.00 53.24 3ile n GLN 66 Cb 0.11 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 3ile n GLN 66 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3ile n ASP 67 N 0.68 -2.45 -4.60 1.08 -0.08 0.11 -4.91 116.55 106.37 3ile n ASP 67 Ca 0.17 -1.02 -0.34 0.00 -1.51 0.00 0.00 54.79 52.08 3ile n ASP 67 Cb 0.44 -2.07 -0.11 0.00 2.34 0.00 0.00 41.12 41.73 3ile n ASP 67 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3ile s TYR 68 N -3.18 3.11 -0.03 -0.67 5.04 0.26 -0.02 117.35 121.86 3ile s TYR 68 Ca 0.74 -0.00 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 3ile s TYR 68 Cb -0.42 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.04 3ile s TYR 68 CO 0.91 0.24 0.06 0.00 -1.34 0.00 0.00 175.55 175.42 3ile s ALA 69 N -0.29 0.04 -0.22 3.97 0.00 0.15 -1.51 121.76 123.91 3ile s ALA 69 Ca 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3ile s ALA 69 Cb -0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3ile s ALA 69 CO 0.02 -0.19 -0.06 0.50 0.00 0.00 0.00 175.76 176.03 3ile s ARG 70 N 1.31 3.32 -0.12 0.00 3.52 0.65 -0.23 118.95 127.39 3ile s ARG 70 Ca -0.06 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 3ile s ARG 70 Cb -0.13 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3ile s ARG 70 CO -0.04 -0.21 -0.03 0.12 -0.81 0.00 0.00 175.30 174.34 3ile s PHE 71 N 1.46 3.04 0.33 5.12 5.36 0.27 -1.22 117.98 132.34 3ile s PHE 71 Ca 0.06 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 55.96 3ile s PHE 71 Cb -0.14 -1.87 -0.07 0.00 -0.34 0.00 0.00 43.02 40.60 3ile s PHE 71 CO -0.04 0.16 0.03 -1.21 -1.46 0.00 0.00 175.22 172.70 3ile s GLU 72 N -0.16 1.69 -0.08 10.12 2.02 0.32 -0.98 118.70 131.63 3ile s GLU 72 Ca 0.03 -1.93 -0.03 0.00 0.02 0.00 0.00 54.97 53.06 3ile s GLU 72 Cb -0.13 -1.06 0.04 0.00 0.10 0.00 0.00 34.13 33.09 3ile s GLU 72 CO 0.02 -0.13 0.17 0.42 0.02 0.00 0.00 175.26 175.77 3ile s ILE 73 N -3.14 -0.13 0.06 -1.63 1.01 -0.93 -2.51 121.20 113.94 3ile s ILE 73 Ca 0.35 0.23 0.09 0.00 0.00 0.00 0.00 60.65 61.32 3ile s ILE 73 Cb 0.08 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 3ile s ILE 73 CO 0.15 0.10 -0.24 0.00 0.00 0.00 0.00 174.94 174.95 3ile s ALA 74 N 1.58 2.06 -0.22 9.38 0.00 -0.26 -0.66 121.76 133.64 3ile s ALA 74 Ca -0.05 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 3ile s ALA 74 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3ile s ALA 74 CO -0.06 0.47 0.29 -0.46 0.00 0.00 0.00 175.76 176.00 3ile s TRP 75 N -0.87 3.34 -0.34 0.00 -0.11 0.25 -0.83 118.94 120.37 3ile s TRP 75 Ca 0.10 0.42 0.00 0.00 1.22 0.00 0.00 56.10 57.84 3ile s TRP 75 Cb -0.10 -2.41 0.08 0.00 -1.50 0.00 0.00 33.47 29.54 3ile s TRP 75 CO 0.03 0.00 0.06 0.08 -4.62 0.00 0.00 176.95 172.50 3ile s VAL 76 N 1.27 2.78 -0.23 5.86 1.01 0.11 -1.11 120.40 130.08 3ile s VAL 76 Ca 0.13 -1.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.12 3ile s VAL 76 Cb -0.14 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3ile s VAL 76 CO 0.07 -0.42 0.13 -2.28 0.00 0.00 0.00 175.10 172.59 3ile s HIS 77 N 1.10 3.25 -0.14 5.22 2.46 -0.14 -1.69 115.29 125.35 3ile s HIS 77 Ca 0.03 0.07 0.02 0.00 0.47 0.00 0.00 55.06 55.65 3ile s HIS 77 Cb -0.21 -2.23 0.01 0.00 -0.13 0.00 0.00 32.58 30.02 3ile s HIS 77 CO -0.05 -0.01 -0.21 0.08 -2.47 0.00 0.00 174.74 172.08 3ile s VAL 78 N 1.08 2.12 0.36 0.89 1.01 -0.77 -2.21 120.40 122.88 3ile s VAL 78 Ca 0.06 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3ile s VAL 78 Cb -0.14 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3ile s VAL 78 CO 0.04 0.55 0.51 -1.81 0.00 0.00 0.00 175.10 174.39 3ile s ASP 79 N 0.84 5.88 0.58 3.32 1.01 -0.68 -2.61 116.67 125.02 3ile s ASP 79 Ca -0.06 -0.21 0.37 0.00 0.71 0.00 0.00 52.55 53.36 3ile s ASP 79 Cb -0.15 -1.11 1.76 0.00 1.01 0.00 0.00 42.92 44.43 3ile s ASP 79 CO -0.02 -0.53 2.11 0.11 0.21 0.00 0.00 175.17 177.05 3ile h LYS 80 N 0.80 0.00 0.00 8.23 1.57 -1.94 0.47 116.57 125.70 3ile h LYS 80 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3ile h LYS 80 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3ile h LYS 80 CO 0.51 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 3ile n ASP 81 N -3.02 0.00 0.00 0.86 3.85 -1.26 -4.89 116.55 112.10 3ile n ASP 81 Ca -0.01 -0.75 0.00 0.00 -0.71 0.00 0.00 54.79 53.32 3ile n ASP 81 Cb 0.20 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3ile n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ile n GLY 82 N 0.49 0.80 3.71 6.12 0.00 0.16 -5.01 105.19 111.45 3ile n GLY 82 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ile n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ile s LYS 83 N -0.23 4.41 -0.05 1.61 2.20 -1.24 -4.83 119.74 121.60 3ile s LYS 83 Ca 0.00 1.76 0.02 0.00 -0.36 0.00 0.00 55.97 57.38 3ile s LYS 83 Cb 0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 3ile s LYS 83 CO 0.00 -0.31 -0.08 0.42 -0.36 0.00 0.00 175.35 175.02 3ile s ILE 84 N 1.36 3.63 -0.18 5.43 1.01 -1.26 -1.68 121.20 129.50 3ile s ILE 84 Ca 0.58 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 3ile s ILE 84 Cb -0.29 -2.49 0.09 0.00 0.01 0.00 0.00 42.46 39.78 3ile s ILE 84 CO 0.28 0.57 0.33 -0.70 0.00 0.00 0.00 174.94 175.41 3ile s GLU 85 N -0.90 0.24 0.16 2.79 2.12 -0.94 -5.03 118.70 117.15 3ile s GLU 85 Ca 0.13 0.75 0.09 0.00 0.36 0.00 0.00 54.97 56.30 3ile s GLU 85 Cb -0.11 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 3ile s GLU 85 CO 0.02 -0.37 -0.12 0.00 -0.54 0.00 0.00 175.26 174.25 3ile s ALA 86 N 2.49 2.88 -0.08 6.30 0.00 -1.26 -0.97 121.76 131.13 3ile s ALA 86 Ca 0.03 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 3ile s ALA 86 Cb -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.28 3ile s ALA 86 CO -0.11 0.52 0.24 1.03 0.00 0.00 0.00 175.76 177.43 3ile s ARG 87 N -2.59 0.32 0.24 0.00 1.81 -0.27 -4.95 118.95 113.51 3ile s ARG 87 Ca 0.23 0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 54.21 3ile s ARG 87 Cb -0.09 0.15 -0.09 0.00 -0.45 0.00 0.00 34.95 34.47 3ile s ARG 87 CO 0.14 -0.05 0.89 0.99 -0.68 0.00 0.00 175.30 176.58 3ile s THR 88 N -0.09 4.20 0.00 0.02 2.01 -1.26 0.84 115.64 121.36 3ile s THR 88 Ca -0.02 1.90 0.00 0.00 0.31 0.00 0.00 61.69 63.88 3ile s THR 88 Cb -0.02 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.29 3ile s THR 88 CO 0.01 0.42 0.11 1.33 -0.69 0.00 0.00 174.62 175.80 3ile n VAL 89 N 1.30 0.00 -3.56 3.82 0.24 0.17 -4.88 118.33 115.41 3ile n VAL 89 Ca -0.02 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 3ile n VAL 89 Cb 0.48 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 3ile n VAL 89 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ile s TYR 90 N -0.78 -0.48 -0.19 6.34 5.04 -1.19 -4.99 117.35 121.10 3ile s TYR 90 Ca 0.00 0.84 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 3ile s TYR 90 Cb 0.00 0.43 0.12 0.00 0.35 0.00 0.00 41.96 42.86 3ile s TYR 90 CO 0.00 -0.43 1.00 0.45 -1.34 0.00 0.00 175.55 175.22 3ile s SER 91 N -1.08 -0.40 0.05 4.32 0.15 -1.26 -2.19 113.70 113.29 3ile s SER 91 Ca -0.05 0.54 -0.23 0.00 0.70 0.00 0.00 55.95 56.91 3ile s SER 91 Cb -0.00 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 3ile s SER 91 CO 0.04 -0.30 0.53 0.27 1.20 0.00 0.00 173.24 174.99 3ile s ILE 92 N -0.74 0.03 -0.04 6.45 -4.36 -0.15 -4.99 121.20 117.39 3ile s ILE 92 Ca -0.01 -0.21 0.04 0.00 -0.26 0.00 0.00 60.65 60.21 3ile s ILE 92 Cb -0.02 -0.98 -0.00 0.00 1.25 0.00 0.00 42.46 42.71 3ile s ILE 92 CO -0.00 -0.12 -0.17 -1.61 0.24 0.00 0.00 174.94 173.28 3ile s GLU 93 N -2.45 1.70 0.32 0.37 2.02 -1.26 -0.56 118.70 118.83 3ile s GLU 93 Ca -0.05 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 3ile s GLU 93 Cb -0.01 -1.49 0.04 0.00 0.10 0.00 0.00 34.13 32.78 3ile s GLU 93 CO -0.02 0.24 0.61 -2.37 0.02 0.00 0.00 175.26 173.75 3ile n THR 94 N 3.13 0.00 -2.38 3.63 5.66 0.67 -5.00 114.28 119.99 3ile n THR 94 Ca -0.18 -0.91 -0.38 0.00 -3.05 0.00 0.00 64.05 59.53 3ile n THR 94 Cb 0.53 0.83 -0.03 0.00 -1.55 0.00 0.00 70.33 70.11 3ile n THR 94 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3ile s TYR 95 N -3.39 3.23 0.19 1.09 2.02 -1.26 0.30 117.35 119.53 3ile s TYR 95 Ca 0.15 1.60 -0.03 0.00 -0.37 0.00 0.00 57.07 58.42 3ile s TYR 95 Cb -0.04 -3.32 0.12 0.00 -0.40 0.00 0.00 41.96 38.33 3ile s TYR 95 CO 0.11 -1.01 1.51 2.35 -1.57 0.00 0.00 175.55 176.94 3ile h TRP 96 N 2.90 0.67 -0.73 2.71 -0.00 -0.67 -2.68 115.95 118.15 3ile h TRP 96 Ca -0.48 -0.24 0.10 0.00 -0.00 0.00 0.00 58.89 58.27 3ile h TRP 96 Cb 1.22 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 30.21 3ile h TRP 96 CO 0.57 0.96 0.48 1.12 -0.00 0.00 0.00 178.44 181.57 3ile h HIS 97 N 0.41 0.65 -0.21 2.65 2.07 -1.92 0.26 115.15 119.07 3ile h HIS 97 Ca 0.01 0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.34 3ile h HIS 97 Cb 1.09 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.86 3ile h HIS 97 CO 0.04 0.30 -0.66 0.82 -3.07 0.00 0.00 177.93 175.36 3ile h ILE 98 N 0.61 1.28 -0.49 6.12 2.04 -1.86 -2.75 117.51 122.46 3ile h ILE 98 Ca 0.34 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.27 3ile h ILE 98 Cb 0.51 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3ile h ILE 98 CO -0.12 0.60 0.05 0.15 0.00 0.00 0.00 178.15 178.82 3ile h PHE 99 N 0.58 0.89 0.00 1.37 3.57 -1.02 -1.74 116.94 120.58 3ile h PHE 99 Ca -0.02 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3ile h PHE 99 Cb 1.28 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3ile h PHE 99 CO 0.08 0.83 0.00 0.97 -2.23 0.00 0.00 178.31 177.96 3ile h ILE 100 N 0.69 0.00 0.05 1.41 2.10 -0.51 -2.38 117.51 118.87 3ile h ILE 100 Ca 0.14 -0.17 -0.26 0.00 1.08 0.00 0.00 64.86 65.65 3ile h ILE 100 Cb 0.44 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 3ile h ILE 100 CO 0.02 0.00 -1.32 -0.78 -1.08 0.00 0.00 178.15 174.99 3ile h ASP 101 N 0.00 0.17 -0.83 2.19 3.58 -1.03 -3.29 116.42 117.21 3ile h ASP 101 Ca 0.00 -0.22 0.11 0.00 0.42 0.00 0.00 57.03 57.35 3ile h ASP 101 Cb 0.19 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 3ile h ASP 101 CO 0.00 1.18 0.54 0.40 -2.88 0.00 0.00 179.24 178.48 3ile h ILE 102 N 0.03 0.91 -0.72 2.25 2.04 -0.90 -2.28 117.51 118.84 3ile h ILE 102 Ca -0.15 -0.24 0.15 0.00 1.00 0.00 0.00 64.86 65.62 3ile h ILE 102 Cb 1.91 0.13 -0.14 0.00 -0.74 0.00 0.00 36.82 37.99 3ile h ILE 102 CO 0.14 0.13 -0.16 -0.08 0.00 0.00 0.00 178.15 178.18 3ile h GLU 103 N 0.71 0.01 0.00 2.37 4.81 -1.65 0.13 114.58 120.96 3ile h GLU 103 Ca 0.39 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3ile h GLU 103 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3ile h GLU 103 CO -0.16 0.01 0.00 0.09 -0.73 0.00 0.00 179.01 178.22 3ile n ASN 104 N -5.46 0.00 -4.65 1.04 4.13 -0.86 -4.83 115.26 104.63 3ile n ASN 104 Ca 0.10 -1.12 -0.43 0.00 1.68 0.00 0.00 54.58 54.81 3ile n ASN 104 Cb 0.38 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.60 3ile n ASN 104 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ile s ASP 105 N -1.88 6.73 0.04 6.41 -1.08 0.44 -4.92 116.67 122.41 3ile s ASP 105 Ca 0.42 1.60 -0.31 0.00 -0.52 0.00 0.00 52.55 53.74 3ile s ASP 105 Cb 0.19 -2.54 -0.18 0.00 -1.46 0.00 0.00 42.92 38.94 3ile s ASP 105 CO 0.32 -0.96 1.35 -0.07 0.52 0.00 0.00 175.17 176.33 3ile h LEU 106 N 10.48 -0.87 -7.16 -1.34 3.38 -1.88 -3.32 115.31 114.60 3ile h LEU 106 Ca -0.29 0.01 -0.77 0.00 0.09 0.00 0.00 57.88 56.92 3ile h LEU 106 Cb 1.12 0.23 -0.21 0.00 0.09 0.00 0.00 40.66 41.89 3ile h LEU 106 CO 0.99 -0.54 1.28 -3.20 0.09 0.00 0.00 178.44 177.06 3ile n ASN 107 N -5.48 5.47 -4.30 -0.43 5.15 -1.26 -4.96 115.26 109.44 3ile n ASN 107 Ca -0.14 -3.11 -0.16 0.00 -0.60 0.00 0.00 54.58 50.57 3ile n ASN 107 Cb 0.42 -1.45 -0.10 0.00 -0.53 0.00 0.00 39.78 38.11 3ile n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ile s PRO 109 N -3.99 3.54 0.08 0.00 0.02 -1.26 -4.87 135.00 128.52 3ile s PRO 109 Ca 0.34 1.95 -0.34 0.00 0.02 0.00 0.00 61.00 62.96 3ile s PRO 109 Cb 0.07 -4.21 -0.17 0.00 0.02 0.00 0.00 34.50 30.21 3ile s PRO 109 CO 0.11 -1.63 1.60 -0.92 -0.33 0.00 0.00 177.00 175.83 3ile h TYR 110 N 12.68 -1.09 -1.10 6.54 3.20 -1.98 0.35 116.97 135.57 3ile h TYR 110 Ca -0.39 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 61.78 3ile h TYR 110 Cb 1.20 0.40 -0.11 0.00 1.54 0.00 0.00 36.73 39.77 3ile h TYR 110 CO 0.94 -0.60 0.69 -0.24 -1.64 0.00 0.00 178.16 177.31 3ile h VAL 111 N -0.95 0.41 0.41 1.81 3.04 -1.98 0.81 116.25 119.80 3ile h VAL 111 Ca -0.07 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 3ile h VAL 111 Cb 0.79 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 3ile h VAL 111 CO 0.04 0.06 -0.20 0.25 -1.01 0.00 0.00 177.57 176.71 3ile h LEU 112 N 0.33 -0.47 -2.01 3.16 5.85 -1.40 0.39 115.31 121.16 3ile h LEU 112 Ca 0.66 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.38 3ile h LEU 112 Cb 1.75 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 3ile h LEU 112 CO -0.37 -0.12 0.40 0.00 -0.34 0.00 0.00 178.44 178.01 3ile h ALA 113 N -0.41 2.02 0.03 1.25 0.00 0.15 -1.94 119.26 120.37 3ile h ALA 113 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3ile h ALA 113 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ile h ALA 113 CO 0.09 -0.58 -0.66 -0.22 0.00 0.00 0.00 179.25 177.88 3ile h LYS 114 N 0.00 0.06 -0.66 0.00 1.63 0.91 -2.74 116.57 115.78 3ile h LYS 114 Ca 0.17 -0.11 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 3ile h LYS 114 Cb 0.97 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.53 3ile h LYS 114 CO -0.00 1.05 -0.54 0.35 -3.45 0.00 0.00 179.45 176.86 3ile h PHE 115 N -0.84 -1.68 -0.51 1.91 3.57 0.34 0.76 116.94 120.48 3ile h PHE 115 Ca -0.16 0.10 0.10 0.00 3.53 0.00 0.00 57.97 61.54 3ile h PHE 115 Cb 1.26 0.82 -0.10 0.00 2.79 0.00 0.00 35.95 40.73 3ile h PHE 115 CO 0.20 -0.44 -0.13 0.82 -2.23 0.00 0.00 178.31 176.53 3ile h ILE 116 N -0.22 0.49 0.00 1.41 2.04 -1.52 -1.18 117.51 118.52 3ile h ILE 116 Ca 0.13 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3ile h ILE 116 Cb 0.53 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3ile h ILE 116 CO -0.74 0.00 -0.07 -0.08 0.00 0.00 0.00 178.15 177.26 3ile h GLU 117 N 0.00 0.00 -0.79 2.37 4.81 -0.77 -0.73 114.58 119.47 3ile h GLU 117 Ca 0.25 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3ile h GLU 117 Cb 0.38 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3ile h GLU 117 CO -0.53 0.07 0.10 -1.33 -0.73 0.00 0.00 179.01 176.59 3ile n MET 118 N -3.66 3.20 -1.34 1.92 2.81 0.09 -4.97 117.12 115.17 3ile n MET 118 Ca -0.02 -2.09 -0.34 0.00 -1.81 0.00 0.00 57.70 53.44 3ile n MET 118 Cb 0.18 -1.96 0.10 0.00 -0.71 0.00 0.00 33.22 30.83 3ile n MET 118 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3ile s ARG 119 N -2.19 1.97 0.26 0.03 1.70 -0.28 -4.41 118.95 116.04 3ile s ARG 119 Ca 0.37 1.83 -0.30 0.00 -0.47 0.00 0.00 55.73 57.16 3ile s ARG 119 Cb 0.29 -1.81 -0.11 0.00 -0.57 0.00 0.00 34.95 32.76 3ile s ARG 119 CO 0.10 -1.98 1.51 -1.25 -1.08 0.00 0.00 175.30 172.60 3ile s PRO 120 N -3.90 4.21 0.58 3.89 0.04 -1.26 -4.71 135.00 133.85 3ile s PRO 120 Ca 0.76 2.41 -0.17 0.00 0.04 0.00 0.00 61.00 64.04 3ile s PRO 120 Cb -0.31 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3ile s PRO 120 CO 0.47 -0.51 1.09 -1.21 0.04 0.00 0.00 177.00 176.87 3ile s GLU 121 N -0.34 3.26 -0.32 4.56 2.02 -1.26 -4.75 118.70 121.86 3ile s GLU 121 Ca 0.61 1.38 -0.43 0.00 0.02 0.00 0.00 54.97 56.55 3ile s GLU 121 Cb -0.44 -2.01 -0.18 0.00 0.10 0.00 0.00 34.13 31.60 3ile s GLU 121 CO 0.44 -0.88 1.61 0.34 0.02 0.00 0.00 175.26 176.79 3ile n PHE 122 N -1.79 1.79 -1.14 1.61 7.35 -1.26 -0.20 117.46 123.82 3ile n PHE 122 Ca 0.10 0.83 -0.05 0.00 -0.76 0.00 0.00 57.45 57.57 3ile n PHE 122 Cb 0.52 -2.33 -0.02 0.00 0.35 0.00 0.00 39.48 38.00 3ile n PHE 122 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3ile n HIS 123 N 4.33 0.00 -4.04 -5.13 8.25 0.71 -4.94 115.22 114.39 3ile n HIS 123 Ca 0.27 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.46 3ile n HIS 123 Cb 0.05 -2.02 -0.02 0.00 1.12 0.00 0.00 29.99 29.13 3ile n HIS 123 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3ile s LYS 124 N -2.15 2.24 0.41 -0.41 2.20 0.72 -4.87 119.74 117.88 3ile s LYS 124 Ca 0.00 -2.09 0.08 0.00 -0.36 0.00 0.00 55.97 53.59 3ile s LYS 124 Cb 0.00 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 3ile s LYS 124 CO 0.00 -0.58 0.30 0.95 -0.36 0.00 0.00 175.35 175.66 3ile s THR 125 N -2.80 2.55 1.01 3.43 -4.23 -1.26 -3.86 115.64 110.49 3ile s THR 125 Ca 0.29 -1.48 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 3ile s THR 125 Cb -0.02 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.03 3ile s THR 125 CO 0.18 -0.01 1.22 0.00 -0.54 0.00 0.00 174.62 175.47 3ile s ALA 126 N -2.52 1.69 0.02 3.99 0.00 -1.26 -4.32 121.76 119.37 3ile s ALA 126 Ca 0.45 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3ile s ALA 126 Cb -0.01 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3ile s ALA 126 CO 0.26 -2.71 0.24 -0.46 0.00 0.00 0.00 175.76 173.09 3ile s TRP 127 N -3.50 -0.04 -0.00 0.00 -0.00 -1.26 -4.97 118.94 109.17 3ile s TRP 127 Ca 0.70 -0.08 0.04 0.00 -0.00 0.00 0.00 56.10 56.77 3ile s TRP 127 Cb -0.08 0.03 -0.03 0.00 -0.00 0.00 0.00 33.47 33.38 3ile s TRP 127 CO 0.54 -0.42 -0.11 0.08 -0.00 0.00 0.00 176.95 177.04 3ile s VAL 128 N -2.12 3.32 0.07 5.86 1.01 -1.26 -5.01 120.40 122.28 3ile s VAL 128 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3ile s VAL 128 Cb -0.03 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3ile s VAL 128 CO -0.01 0.43 0.03 -1.61 0.00 0.00 0.00 175.10 173.93 3ile s GLU 129 N -1.26 2.70 0.30 2.72 2.02 -1.26 -4.73 118.70 119.19 3ile s GLU 129 Ca 0.15 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 3ile s GLU 129 Cb -0.11 -2.63 -0.12 0.00 0.10 0.00 0.00 34.13 31.37 3ile s GLU 129 CO 0.05 0.56 1.44 -1.91 0.02 0.00 0.00 175.26 175.42 3ile n GLU 130 N 0.65 2.33 -3.60 1.61 4.07 -1.26 -4.94 120.64 119.50 3ile n GLU 130 Ca -0.11 0.82 -0.16 0.00 -0.06 0.00 0.00 57.16 57.66 3ile n GLU 130 Cb 0.52 -2.50 -0.07 0.00 -0.06 0.00 0.00 31.44 29.33 3ile n GLU 130 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3ile s SER 131 N 0.13 -0.47 0.00 4.31 0.15 -1.26 -4.99 113.70 111.57 3ile s SER 131 Ca 0.62 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.68 3ile s SER 131 Cb -0.56 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3ile s SER 131 CO 0.55 -0.58 0.91 -0.46 1.20 0.00 0.00 173.24 174.86 3ile n ASN 132 N 0.92 1.77 -4.78 5.45 6.94 -1.26 -5.07 115.26 119.23 3ile n ASN 132 Ca -0.20 -1.84 -0.36 0.00 -0.02 0.00 0.00 54.58 52.16 3ile n ASN 132 Cb 0.57 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.97 3ile n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3ile s TYR 133 N -0.84 3.03 -0.00 -2.53 5.04 -1.26 -5.05 117.35 115.74 3ile s TYR 133 Ca 0.00 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 3ile s TYR 133 Cb 0.00 -3.25 -0.00 0.00 0.35 0.00 0.00 41.96 39.06 3ile s TYR 133 CO 0.00 -1.11 -0.03 -1.12 -1.34 0.00 0.00 175.55 171.95 3ile s SER 134 N -1.52 0.34 0.96 4.32 0.01 -1.26 -4.58 113.70 111.97 3ile s SER 134 Ca 0.62 -0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 3ile s SER 134 Cb -0.25 -0.04 0.17 0.00 0.21 0.00 0.00 66.02 66.11 3ile s SER 134 CO 0.30 0.03 1.11 0.27 0.41 0.00 0.00 173.24 175.37 3ile s ILE 135 N -0.04 2.03 0.13 1.44 -4.36 -1.15 -5.00 121.20 114.25 3ile s ILE 135 Ca 0.01 0.01 -0.00 0.00 -0.26 0.00 0.00 60.65 60.41 3ile s ILE 135 Cb -0.01 -2.63 -0.20 0.00 1.25 0.00 0.00 42.46 40.87 3ile s ILE 135 CO -0.00 -0.01 1.29 0.00 0.24 0.00 0.00 174.94 176.45 3ile h ALA 136 N -1.71 0.35 -2.20 2.27 0.00 -2.01 -3.48 119.26 112.48 3ile h ALA 136 Ca -0.53 -0.79 -0.47 0.00 0.00 0.00 0.00 54.91 53.12 3ile h ALA 136 Cb 1.33 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.09 3ile h ALA 136 CO 0.60 0.95 -0.08 -1.21 0.00 0.00 0.00 179.25 179.51 3ile s GLU 137 N -3.00 3.35 0.78 0.00 2.02 -1.26 -5.10 118.70 115.48 3ile s GLU 137 Ca -0.03 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 3ile s GLU 137 Cb 0.09 -2.55 0.09 0.00 0.10 0.00 0.00 34.13 31.86 3ile s GLU 137 CO 0.85 -0.09 1.12 0.16 0.02 0.00 0.00 175.26 177.32 3ile s ASP 138 N -4.12 4.43 0.39 -0.19 1.47 -1.26 -4.82 116.67 112.57 3ile s ASP 138 Ca 0.45 0.51 0.07 0.00 1.18 0.00 0.00 52.55 54.76 3ile s ASP 138 Cb -0.10 -1.00 0.82 0.00 -0.34 0.00 0.00 42.92 42.30 3ile s ASP 138 CO 0.39 -1.89 1.99 -2.24 0.68 0.00 0.00 175.17 174.10 3ile h ASP 139 N -0.91 0.57 0.73 2.11 2.03 -1.98 0.75 116.42 119.71 3ile h ASP 139 Ca -0.45 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.82 3ile h ASP 139 Cb 1.31 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.69 3ile h ASP 139 CO 0.58 0.38 -0.35 0.40 -1.03 0.00 0.00 179.24 179.22 3ile h ILE 140 N 0.65 0.00 -0.66 4.15 1.08 -1.99 -0.97 117.51 119.78 3ile h ILE 140 Ca 0.27 -0.23 0.14 0.00 -0.39 0.00 0.00 64.86 64.64 3ile h ILE 140 Cb 0.23 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.86 3ile h ILE 140 CO -0.08 0.00 -0.07 1.56 -0.69 0.00 0.00 178.15 178.87 3ile h GLN 141 N -1.22 0.06 0.77 2.37 4.20 -1.88 0.31 115.11 119.72 3ile h GLN 141 Ca -0.10 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3ile h GLN 141 Cb 0.75 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 3ile h GLN 141 CO 0.17 0.04 -0.46 1.98 -0.67 0.00 0.00 178.83 179.88 3ile h MET 142 N 0.06 -1.11 -0.56 1.46 4.05 -0.81 0.34 114.93 118.35 3ile h MET 142 Ca 0.34 0.08 0.11 0.00 -0.28 0.00 0.00 59.70 59.94 3ile h MET 142 Cb 0.55 0.25 -0.08 0.00 -0.80 0.00 0.00 31.60 31.52 3ile h MET 142 CO -0.62 -0.74 0.08 0.28 0.23 0.00 0.00 176.91 176.14 3ile h VAL 143 N -1.16 0.63 -0.79 -5.77 2.07 -0.96 -2.01 116.25 108.26 3ile h VAL 143 Ca -0.10 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3ile h VAL 143 Cb 0.92 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3ile h VAL 143 CO 0.11 0.04 0.45 -0.33 0.02 0.00 0.00 177.57 177.86 3ile h GLU 144 N 0.20 1.09 -0.43 1.57 4.39 -0.20 -0.63 114.58 120.57 3ile h GLU 144 Ca 0.29 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 3ile h GLU 144 Cb 0.44 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3ile h GLU 144 CO -0.41 0.78 0.10 0.77 -1.16 0.00 0.00 179.01 179.09 3ile h SER 145 N 1.10 0.58 -0.16 1.42 0.02 0.33 0.16 113.55 117.00 3ile h SER 145 Ca 0.28 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3ile h SER 145 Cb -0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3ile h SER 145 CO -0.05 0.59 -0.33 0.40 -1.14 0.00 0.00 176.83 176.30 3ile h ILE 146 N 0.62 1.35 0.49 3.27 2.04 -0.69 -2.38 117.51 122.22 3ile h ILE 146 Ca 0.14 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 3ile h ILE 146 Cb 0.24 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3ile h ILE 146 CO -0.00 0.48 -0.24 0.11 0.00 0.00 0.00 178.15 178.50 3ile h LYS 147 N 0.13 -0.63 -0.85 2.37 1.57 -0.68 -0.77 116.57 117.70 3ile h LYS 147 Ca 0.00 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 3ile h LYS 147 Cb 0.93 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.29 3ile h LYS 147 CO 0.07 -0.38 0.43 -0.09 -0.57 0.00 0.00 179.45 178.91 3ile h ARG 148 N -0.74 0.59 0.38 3.15 2.43 -0.74 -1.95 114.38 117.51 3ile h ARG 148 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3ile h ARG 148 Cb 0.54 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ile h ARG 148 CO 0.11 0.39 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.86 3ile h TYR 149 N 0.61 -0.48 -0.99 2.20 3.20 -1.15 -3.03 116.97 117.33 3ile h TYR 149 Ca 0.47 -0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.68 3ile h TYR 149 Cb 0.68 0.16 -0.16 0.00 1.54 0.00 0.00 36.73 38.95 3ile h TYR 149 CO -0.10 -0.30 0.50 -0.07 -1.64 0.00 0.00 178.16 176.56 3ile h LEU 150 N -0.59 0.33 0.36 2.82 3.38 -0.50 0.32 115.31 121.44 3ile h LEU 150 Ca -0.05 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ile h LEU 150 Cb 0.39 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ile h LEU 150 CO 0.09 -0.28 -0.23 -0.33 0.09 0.00 0.00 178.44 177.78 3ile h GLU 151 N 0.16 -0.54 -0.91 1.13 4.39 -1.41 0.47 114.58 117.87 3ile h GLU 151 Ca 0.76 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.53 3ile h GLU 151 Cb 1.85 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 30.58 3ile h GLU 151 CO -0.70 -0.36 0.60 0.00 -1.16 0.00 0.00 179.01 177.38 3ile h ARG 152 N -0.57 1.14 -0.26 2.33 3.08 -0.47 -2.12 114.38 117.51 3ile h ARG 152 Ca -0.04 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3ile h ARG 152 Cb 0.47 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ile h ARG 152 CO 0.04 0.75 -0.21 -0.22 -1.07 0.00 0.00 179.97 179.26 3ile h LYS 153 N 1.17 0.49 -0.03 0.04 1.63 -0.21 -3.52 116.57 116.14 3ile h LYS 153 Ca 0.35 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3ile h LYS 153 Cb -0.04 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3ile h LYS 153 CO -0.10 0.67 0.00 -0.89 -3.45 0.00 0.00 179.45 175.69