#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x62 s SER 2 N 0.00 -0.04 -0.02 1.61 0.01 -1.26 -5.16 113.70 108.84 1x62 s SER 2 Ca 0.00 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 1x62 s SER 2 Cb 0.00 0.24 0.10 0.00 0.21 0.00 0.00 66.02 66.57 1x62 s SER 2 CO 0.00 -0.20 0.91 -0.55 0.41 0.00 0.00 173.24 173.80 1x62 s SER 3 N -0.66 -0.36 0.00 2.44 0.15 -1.26 -5.17 113.70 108.85 1x62 s SER 3 Ca -0.07 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1x62 s SER 3 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x62 s SER 3 CO 0.01 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1x62 n GLY 4 N -0.20 4.14 3.50 9.45 0.00 -1.26 -5.18 105.19 115.64 1x62 n GLY 4 Ca -0.08 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1x62 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x62 s SER 5 N 0.00 -0.63 0.18 1.61 0.15 -1.26 -5.18 113.70 108.56 1x62 s SER 5 Ca 0.00 0.55 -0.19 0.00 0.70 0.00 0.00 55.95 57.01 1x62 s SER 5 Cb 0.00 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1x62 s SER 5 CO 0.00 -0.68 0.54 -0.44 1.20 0.00 0.00 173.24 173.86 1x62 s SER 6 N -1.53 -0.36 -0.07 5.45 0.01 -1.26 -5.19 113.70 110.76 1x62 s SER 6 Ca -0.08 -0.30 -0.32 0.00 1.31 0.00 0.00 55.95 56.56 1x62 s SER 6 Cb -0.00 0.58 0.13 0.00 0.21 0.00 0.00 66.02 66.94 1x62 s SER 6 CO 0.05 -1.01 1.38 -0.83 0.41 0.00 0.00 173.24 173.23 1x62 s GLY 7 N -2.82 -0.42 -0.09 3.44 0.00 -1.26 -5.16 107.32 101.01 1x62 s GLY 7 Ca 0.05 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1x62 s GLY 7 CO -0.07 1.30 -0.20 -0.45 0.00 0.00 0.00 173.10 173.67 1x62 s SER 8 N -3.16 2.68 -0.09 1.64 0.15 -1.26 -5.13 113.70 108.54 1x62 s SER 8 Ca 0.18 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1x62 s SER 8 Cb 0.06 -1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.12 1x62 s SER 8 CO -0.05 0.11 -0.14 -0.51 1.20 0.00 0.00 173.24 173.85 1x62 s ILE 9 N 0.49 3.05 0.00 6.45 2.07 -1.26 -5.00 121.20 126.99 1x62 s ILE 9 Ca -0.17 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 1x62 s ILE 9 Cb -0.17 -2.23 0.00 0.00 0.13 0.00 0.00 42.46 40.19 1x62 s ILE 9 CO 0.06 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.26 1x62 n GLY 10 N 2.89 1.26 3.55 1.50 0.00 -1.26 -5.19 105.19 107.94 1x62 n GLY 10 Ca -0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1x62 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x62 s ASN 11 N 0.00 -0.39 0.48 1.61 2.20 -1.26 -5.18 114.94 112.40 1x62 s ASN 11 Ca 0.00 -0.12 0.08 0.00 -0.94 0.00 0.00 52.86 51.88 1x62 s ASN 11 Cb 0.00 0.51 0.04 0.00 -2.00 0.00 0.00 41.25 39.80 1x62 s ASN 11 CO 0.00 -0.85 0.66 0.00 -2.94 0.00 0.00 177.10 173.97 1x62 s ALA 12 N -3.44 4.59 -0.13 3.54 0.00 -1.26 -5.12 121.76 119.94 1x62 s ALA 12 Ca 0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 1x62 s ALA 12 Cb -0.02 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1x62 s ALA 12 CO -0.07 -0.52 -0.01 -1.14 0.00 0.00 0.00 175.76 174.02 1x62 s GLN 13 N -4.49 0.88 -0.03 0.00 2.00 -1.26 -4.99 119.66 111.78 1x62 s GLN 13 Ca 0.58 -0.22 0.02 0.00 -2.00 0.00 0.00 55.36 53.74 1x62 s GLN 13 Cb -0.08 -1.60 0.11 0.00 0.80 0.00 0.00 33.01 32.23 1x62 s GLN 13 CO 0.35 -0.43 0.75 1.17 -0.50 0.00 0.00 175.29 176.64 1x62 n LYS 14 N 5.04 1.47 -3.93 1.67 4.81 -1.26 -4.77 118.16 121.20 1x62 n LYS 14 Ca -0.09 -0.42 -0.12 0.00 -0.87 0.00 0.00 58.31 56.81 1x62 n LYS 14 Cb 0.49 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.90 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x62 s LEU 15 N -0.50 2.04 -0.87 3.14 1.43 -1.26 -5.09 118.68 117.57 1x62 s LEU 15 Ca 0.07 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1x62 s LEU 15 Cb 0.05 -0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 1x62 s LEU 15 CO 0.03 -0.04 1.94 -2.16 0.23 0.00 0.00 176.35 176.35 1x62 s PRO 16 N -0.25 2.56 0.33 1.29 0.04 -1.26 -4.49 135.00 133.23 1x62 s PRO 16 Ca -0.02 -0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1x62 s PRO 16 Cb -0.02 -4.98 -0.12 0.00 0.04 0.00 0.00 34.50 29.42 1x62 s PRO 16 CO -0.00 -3.30 1.36 0.00 0.04 0.00 0.00 177.00 175.10 1x62 n MET 17 N 8.90 2.24 -1.86 4.56 0.00 -1.26 -2.66 117.12 127.05 1x62 n MET 17 Ca 0.38 0.79 -0.42 0.00 0.00 0.00 0.00 57.70 58.45 1x62 n MET 17 Cb 0.48 -2.42 -0.02 0.00 0.00 0.00 0.00 33.22 31.26 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x62 h ASP 19 N 5.21 0.70 0.28 0.00 3.32 -1.55 -0.68 116.42 123.70 1x62 h ASP 19 Ca -0.46 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.10 1x62 h ASP 19 Cb 1.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1x62 h ASP 19 CO 0.81 1.25 -0.23 0.50 -1.72 0.00 0.00 179.24 179.85 1x62 h LYS 20 N 0.38 -0.47 0.00 3.56 1.63 -1.89 -3.39 116.57 116.39 1x62 h LYS 20 Ca -0.05 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1x62 h LYS 20 Cb 1.41 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1x62 h LYS 20 CO 0.15 -0.32 -0.07 0.00 -3.45 0.00 0.00 179.45 175.76 1x62 n GLY 22 N 1.79 0.21 3.19 0.00 0.00 -0.26 -5.02 105.19 105.11 1x62 n GLY 22 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1x62 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x62 s THR 23 N 0.00 -0.02 -0.23 2.61 -4.23 -1.24 -4.85 115.64 107.67 1x62 s THR 23 Ca 0.00 0.08 -0.43 0.00 -1.18 0.00 0.00 61.69 60.15 1x62 s THR 23 Cb 0.00 -0.50 -0.20 0.00 1.34 0.00 0.00 72.50 73.14 1x62 s THR 23 CO 0.00 0.03 1.32 0.61 -0.54 0.00 0.00 174.62 176.04 1x62 n GLY 24 N 3.79 -0.06 3.80 3.99 0.00 -1.26 -1.42 105.19 114.02 1x62 n GLY 24 Ca -0.20 0.88 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 1x62 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x62 s ILE 25 N 1.39 4.47 -0.09 -0.61 1.01 -1.09 -4.81 121.20 121.47 1x62 s ILE 25 Ca 0.97 1.50 -0.00 0.00 0.00 0.00 0.00 60.65 63.13 1x62 s ILE 25 Cb -1.38 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 37.12 1x62 s ILE 25 CO 0.69 0.37 -0.06 0.54 0.00 0.00 0.00 174.94 176.47 1x62 s VAL 26 N -1.33 0.84 0.00 2.92 0.11 -1.26 -4.37 120.40 117.30 1x62 s VAL 26 Ca 0.39 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1x62 s VAL 26 Cb -0.20 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1x62 s VAL 26 CO 0.23 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1x62 n GLY 27 N 4.70 0.30 3.75 6.54 0.00 -1.26 -4.92 105.19 114.30 1x62 n GLY 27 Ca -0.14 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1x62 n GLY 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x62 n VAL 28 N 0.00 3.46 -3.75 1.61 3.14 -1.26 -5.01 118.33 116.52 1x62 n VAL 28 Ca 0.00 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.84 1x62 n VAL 28 Cb 0.00 -1.72 -0.01 0.00 -1.06 0.00 0.00 33.84 31.04 1x62 n VAL 28 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1x62 s PHE 29 N -1.25 -0.13 -0.52 1.45 -0.12 -1.26 -4.55 117.98 111.59 1x62 s PHE 29 Ca 0.68 -0.18 -0.16 0.00 -0.05 0.00 0.00 56.93 57.22 1x62 s PHE 29 Cb -0.43 0.64 0.10 0.00 -0.63 0.00 0.00 43.02 42.70 1x62 s PHE 29 CO 0.52 -0.83 0.50 0.08 -0.05 0.00 0.00 175.22 175.44 1x62 s VAL 30 N -3.29 5.15 -0.61 -2.49 1.01 -0.01 -4.83 120.40 115.32 1x62 s VAL 30 Ca 0.12 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1x62 s VAL 30 Cb -0.01 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1x62 s VAL 30 CO 0.02 -0.80 1.32 -0.75 0.00 0.00 0.00 175.10 174.90 1x62 s LYS 31 N 1.81 3.33 0.63 2.72 2.36 -1.26 -1.95 119.74 127.37 1x62 s LYS 31 Ca 0.05 0.24 -0.09 0.00 -2.55 0.00 0.00 55.97 53.62 1x62 s LYS 31 Cb -0.27 -4.11 -0.01 0.00 -1.05 0.00 0.00 37.83 32.40 1x62 s LYS 31 CO 0.05 -1.92 1.00 -0.51 1.55 0.00 0.00 175.35 175.52 1x62 s LEU 32 N 5.70 3.16 0.00 5.43 2.01 0.95 -4.98 118.68 130.94 1x62 s LEU 32 Ca 0.46 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.70 1x62 s LEU 32 Cb -0.09 -4.00 0.00 0.00 0.01 0.00 0.00 46.19 42.11 1x62 s LEU 32 CO 0.23 -1.05 0.50 0.54 1.01 0.00 0.00 176.35 177.58 1x62 n ARG 33 N -2.75 0.00 -0.06 1.70 1.74 -1.26 -2.85 116.66 113.18 1x62 n ARG 33 Ca 0.05 0.50 0.03 0.00 -0.77 0.00 0.00 57.85 57.66 1x62 n ARG 33 Cb 0.56 -0.81 0.06 0.00 -1.02 0.00 0.00 32.46 31.25 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x62 n ASP 34 N -1.86 2.29 -4.30 0.55 8.00 -1.26 -5.04 116.55 114.94 1x62 n ASP 34 Ca 0.00 -2.21 -0.24 0.00 0.71 0.00 0.00 54.79 53.04 1x62 n ASP 34 Cb 0.00 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x62 s ARG 35 N -1.37 1.82 -0.05 -1.24 1.81 -1.13 -5.17 118.95 113.62 1x62 s ARG 35 Ca 0.11 -2.08 -0.03 0.00 -1.72 0.00 0.00 55.73 52.00 1x62 s ARG 35 Cb 0.08 -0.76 0.02 0.00 -0.45 0.00 0.00 34.95 33.84 1x62 s ARG 35 CO 0.03 -0.35 0.12 -1.01 -0.68 0.00 0.00 175.30 173.42 1x62 s HIS 36 N -3.24 -0.13 0.20 -0.53 3.76 -1.26 -0.03 115.29 114.05 1x62 s HIS 36 Ca 0.28 0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 55.53 1x62 s HIS 36 Cb 0.05 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.69 1x62 s HIS 36 CO 0.14 -0.10 0.17 1.03 -0.85 0.00 0.00 174.74 175.13 1x62 s ARG 37 N 0.53 1.23 0.71 1.40 0.52 -0.82 -1.32 118.95 121.20 1x62 s ARG 37 Ca -0.04 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 53.49 1x62 s ARG 37 Cb -0.05 0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.73 1x62 s ARG 37 CO -0.02 -0.42 1.07 -1.01 0.02 0.00 0.00 175.30 174.94 1x62 s HIS 38 N -4.13 3.19 -1.14 -0.53 3.76 -1.26 -0.83 115.29 114.34 1x62 s HIS 38 Ca 0.36 1.25 0.14 0.00 -0.15 0.00 0.00 55.06 56.66 1x62 s HIS 38 Cb 0.06 -2.95 0.65 0.00 1.11 0.00 0.00 32.58 31.45 1x62 s HIS 38 CO 0.11 -1.25 1.44 -0.35 -0.85 0.00 0.00 174.74 173.84 1x62 n PRO 39 N -3.11 0.07 -0.02 8.40 -0.04 -1.26 -2.46 135.00 136.58 1x62 n PRO 39 Ca 0.07 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1x62 n PRO 39 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1x62 n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x62 n GLU 40 N -1.43 2.67 0.00 0.54 0.28 -1.26 -4.54 120.64 116.90 1x62 n GLU 40 Ca 0.05 -0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.19 1x62 n GLU 40 Cb 0.15 -1.12 0.83 0.00 1.43 0.00 0.00 31.44 32.73 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x62 n TYR 42 N -0.83 0.00 -2.46 0.00 9.36 -1.03 -4.80 117.16 117.40 1x62 n TYR 42 Ca 0.21 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.13 1x62 n TYR 42 Cb 0.18 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.87 1x62 n TYR 42 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1x62 s VAL 43 N -2.00 4.68 0.81 2.97 -7.23 -1.24 -3.96 120.40 114.45 1x62 s VAL 43 Ca 0.05 0.86 -0.15 0.00 -1.81 0.00 0.00 61.98 60.93 1x62 s VAL 43 Cb 0.02 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.19 1x62 s VAL 43 CO 0.04 -0.74 0.50 0.00 -0.31 0.00 0.00 175.10 174.58 1x62 n THR 45 N -2.87 1.68 0.13 0.00 -1.04 -1.13 -3.04 114.28 108.01 1x62 n THR 45 Ca 0.09 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.05 61.31 1x62 n THR 45 Cb 0.51 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 1x62 n THR 45 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1x62 h ASP 46 N 0.03 -0.29 0.00 8.00 1.82 -1.92 -3.42 116.42 120.64 1x62 h ASP 46 Ca -0.36 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1x62 h ASP 46 Cb 2.03 0.08 0.00 0.00 0.68 0.00 0.00 39.33 42.11 1x62 h ASP 46 CO 0.08 -0.14 -0.53 0.00 -1.61 0.00 0.00 179.24 177.04 1x62 n GLY 48 N 1.61 0.90 3.86 0.00 0.00 -1.17 -4.98 105.19 105.40 1x62 n GLY 48 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1x62 n GLY 48 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x62 s THR 49 N -0.22 4.89 -0.32 2.61 -1.32 -1.26 -4.68 115.64 115.34 1x62 s THR 49 Ca 0.00 -0.78 -0.29 0.00 -1.21 0.00 0.00 61.69 59.42 1x62 s THR 49 Cb 0.00 -3.45 -0.01 0.00 -1.51 0.00 0.00 72.50 67.52 1x62 s THR 49 CO 0.00 -0.01 1.67 0.20 -2.21 0.00 0.00 174.62 174.28 1x62 s ASN 50 N -2.87 6.10 -0.06 8.08 -0.87 -1.26 -1.73 114.94 122.33 1x62 s ASN 50 Ca 0.32 1.27 0.08 0.00 -1.57 0.00 0.00 52.86 52.96 1x62 s ASN 50 Cb -0.11 -2.53 0.32 0.00 -0.02 0.00 0.00 41.25 38.90 1x62 s ASN 50 CO 0.25 -1.55 1.12 0.18 -2.57 0.00 0.00 177.10 174.54 1x62 n LEU 51 N 9.55 2.42 -0.21 0.60 4.77 -1.25 -4.33 117.00 128.54 1x62 n LEU 51 Ca 0.21 -1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 54.93 1x62 n LEU 51 Cb 0.47 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1x62 n LEU 51 CO 0.68 0.41 0.66 0.50 -1.33 0.00 0.00 177.39 178.32 1x62 h LYS 52 N 1.76 -0.11 0.00 3.23 3.64 -1.88 -2.47 116.57 120.74 1x62 h LYS 52 Ca 0.00 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1x62 h LYS 52 Cb 0.81 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1x62 h LYS 52 CO 0.12 -0.07 -1.60 1.04 -2.27 0.00 0.00 179.45 176.66 1x62 n GLN 53 N -5.44 0.82 -0.21 1.90 6.02 -1.26 -4.66 117.38 114.55 1x62 n GLN 53 Ca 0.06 0.05 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 1x62 n GLN 53 Cb 0.35 -1.22 0.11 0.00 1.02 0.00 0.00 30.24 30.51 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1x62 h LYS 54 N 0.00 0.14 0.00 -1.09 1.57 -1.75 -3.48 116.57 111.96 1x62 h LYS 54 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1x62 h LYS 54 Cb 1.41 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1x62 h LYS 54 CO -0.03 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 1x62 n GLY 55 N -1.36 3.16 3.53 3.86 0.00 -0.93 -4.86 105.19 108.60 1x62 n GLY 55 Ca 0.10 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1x62 n GLY 55 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x62 s HIS 56 N -2.16 2.31 0.04 1.61 -3.43 -1.26 -4.16 115.29 108.24 1x62 s HIS 56 Ca 0.00 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 53.68 1x62 s HIS 56 Cb 0.00 -1.40 -0.02 0.00 -1.43 0.00 0.00 32.58 29.73 1x62 s HIS 56 CO 0.00 0.46 -0.07 -0.06 -2.00 0.00 0.00 174.74 173.07 1x62 s PHE 57 N -2.76 0.61 -0.40 0.38 0.40 -0.51 -4.89 117.98 110.81 1x62 s PHE 57 Ca 0.33 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 1x62 s PHE 57 Cb 0.05 -0.37 0.01 0.00 0.51 0.00 0.00 43.02 43.22 1x62 s PHE 57 CO 0.16 -0.09 0.48 -0.06 0.70 0.00 0.00 175.22 176.41 1x62 s PHE 58 N -1.29 3.16 -0.19 0.36 0.08 -1.26 -2.56 117.98 116.27 1x62 s PHE 58 Ca -0.10 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 1x62 s PHE 58 Cb -0.09 -2.96 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 1x62 s PHE 58 CO 0.00 -0.67 0.13 0.08 -0.10 0.00 0.00 175.22 174.67 1x62 s VAL 59 N 2.31 -0.16 -1.07 -0.44 1.01 -0.92 -4.86 120.40 116.27 1x62 s VAL 59 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1x62 s VAL 59 Cb -0.16 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1x62 s VAL 59 CO 0.14 -0.31 0.94 -0.62 0.00 0.00 0.00 175.10 175.25 1x62 n GLU 60 N 5.29 -6.30 -2.53 2.72 1.02 -1.26 -2.24 120.64 117.34 1x62 n GLU 60 Ca -0.06 0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 57.56 1x62 n GLU 60 Cb 0.48 -5.17 0.01 0.00 -0.02 0.00 0.00 31.44 26.74 1x62 n GLU 60 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x62 n ASP 61 N -2.06 -5.09 -3.97 1.62 -0.08 -1.26 -4.99 116.55 100.71 1x62 n ASP 61 Ca 0.01 -0.10 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 1x62 n ASP 61 Cb 0.55 -4.09 -0.09 0.00 2.34 0.00 0.00 41.12 39.83 1x62 n ASP 61 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1x62 s GLN 62 N -5.08 1.75 -0.01 -0.67 -1.52 -0.95 -5.03 119.66 108.14 1x62 s GLN 62 Ca 0.09 -2.03 0.07 0.00 -1.95 0.00 0.00 55.36 51.55 1x62 s GLN 62 Cb -0.04 -0.28 -0.02 0.00 -0.22 0.00 0.00 33.01 32.45 1x62 s GLN 62 CO 0.12 -0.48 -0.23 0.96 -0.25 0.00 0.00 175.29 175.40 1x62 s ILE 63 N -3.41 1.85 0.31 1.08 -4.36 -1.25 -2.17 121.20 113.24 1x62 s ILE 63 Ca 0.32 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.66 1x62 s ILE 63 Cb 0.04 -1.54 -0.01 0.00 1.25 0.00 0.00 42.46 42.20 1x62 s ILE 63 CO 0.18 0.50 0.39 -0.31 0.24 0.00 0.00 174.94 175.93 1x62 s TYR 64 N -0.57 1.10 -0.06 1.37 1.51 -1.06 -2.83 117.35 116.81 1x62 s TYR 64 Ca 0.09 -1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 54.78 1x62 s TYR 64 Cb -0.09 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1x62 s TYR 64 CO -0.01 -0.99 0.22 0.00 -1.11 0.00 0.00 175.55 173.66 1x62 n GLU 66 N 1.69 -0.05 0.08 0.00 2.13 -1.26 0.33 120.64 123.56 1x62 n GLU 66 Ca -0.16 0.97 -0.11 0.00 0.66 0.00 0.00 57.16 58.52 1x62 n GLU 66 Cb 0.54 -1.59 -0.07 0.00 0.27 0.00 0.00 31.44 30.59 1x62 n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1x62 h LYS 67 N 0.00 -0.49 0.27 5.31 3.64 -1.95 -1.46 116.57 121.89 1x62 h LYS 67 Ca 0.44 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1x62 h LYS 67 Cb 0.97 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1x62 h LYS 67 CO -0.60 -0.33 -0.13 0.45 -2.27 0.00 0.00 179.45 176.58 1x62 h HIS 68 N -0.51 -0.33 -0.68 1.91 3.86 -0.60 -3.26 115.15 115.54 1x62 h HIS 68 Ca -0.01 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1x62 h HIS 68 Cb 0.50 0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.00 1x62 h HIS 68 CO -0.39 0.03 -0.40 0.00 0.86 0.00 0.00 177.93 178.03 1x62 n ALA 69 N -2.56 -0.44 -0.26 2.45 0.00 0.15 0.14 120.51 120.00 1x62 n ALA 69 Ca -0.08 0.58 0.07 0.00 0.00 0.00 0.00 53.44 54.01 1x62 n ALA 69 Cb 0.26 -0.07 0.20 0.00 0.00 0.00 0.00 19.45 19.84 1x62 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x62 h ARG 70 N 0.00 0.22 -0.80 0.00 3.08 -1.36 0.31 114.38 115.83 1x62 h ARG 70 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1x62 h ARG 70 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1x62 h ARG 70 CO -0.64 0.15 0.43 0.93 -1.07 0.00 0.00 179.97 179.77 1x62 h GLU 71 N 0.23 1.12 0.40 0.04 4.39 0.12 0.35 114.58 121.23 1x62 h GLU 71 Ca 0.45 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1x62 h GLU 71 Cb 0.80 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1x62 h GLU 71 CO -0.57 0.82 -0.19 0.00 -1.16 0.00 0.00 179.01 177.91 1x62 h ARG 72 N 1.12 -0.52 -0.07 2.33 3.08 0.14 -0.90 114.38 119.55 1x62 h ARG 72 Ca 0.28 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 1x62 h ARG 72 Cb 0.03 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1x62 h ARG 72 CO -0.04 -0.22 -0.04 -0.24 -1.07 0.00 0.00 179.97 178.36 1x62 h VAL 73 N -0.97 1.08 -0.51 2.04 3.04 -0.73 -0.79 116.25 119.41 1x62 h VAL 73 Ca -0.06 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1x62 h VAL 73 Cb 0.55 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1x62 h VAL 73 CO 0.09 0.10 0.00 -0.24 -1.01 0.00 0.00 177.57 176.51 1x62 n SER 74 N -4.43 4.22 -3.56 3.17 2.88 0.12 -4.97 113.62 111.05 1x62 n SER 74 Ca -0.02 -2.48 -0.30 0.00 -1.33 0.00 0.00 58.87 54.74 1x62 n SER 74 Cb 0.16 -0.56 0.27 0.00 -0.75 0.00 0.00 64.21 63.33 1x62 n SER 74 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x62 s GLY 75 N -0.75 1.47 -0.51 0.46 0.00 -0.31 -4.87 107.32 102.81 1x62 s GLY 75 Ca 0.42 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 44.01 1x62 s GLY 75 CO 0.18 0.11 1.80 2.56 0.00 0.00 0.00 173.10 177.75 1x62 s PRO 76 N -5.19 2.92 -0.07 2.90 0.04 -1.26 -4.88 135.00 129.46 1x62 s PRO 76 Ca 0.70 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 1x62 s PRO 76 Cb -0.12 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 1x62 s PRO 76 CO 0.57 -2.37 0.35 1.03 0.04 0.00 0.00 177.00 176.62 1x62 h SER 77 N 13.96 -0.21 -4.19 6.66 0.87 -1.95 -3.46 113.55 125.23 1x62 h SER 77 Ca -0.28 -0.05 -0.46 0.00 -1.23 0.00 0.00 61.79 59.77 1x62 h SER 77 Cb 1.16 0.05 -0.28 0.00 -0.44 0.00 0.00 62.40 62.89 1x62 h SER 77 CO 1.15 0.29 -0.80 -0.44 -0.53 0.00 0.00 176.83 176.49 1x62 s SER 78 N -5.31 1.53 0.00 6.23 0.01 -1.26 -5.30 113.70 109.60 1x62 s SER 78 Ca -0.05 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1x62 s SER 78 Cb 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1x62 s SER 78 CO 0.16 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.56