#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 -0.38 -0.02 1.61 0.01 -1.26 -5.17 113.70 108.50 1x62 s SER 2 Ca 0.00 0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.86 1x62 s SER 2 Cb 0.00 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 1x62 s SER 2 CO 0.00 -0.31 -0.13 -0.55 0.41 0.00 0.00 173.24 172.66 1x62 s SER 3 N -0.51 1.54 -1.30 2.44 0.15 -1.26 -4.82 113.70 109.93 1x62 s SER 3 Ca -0.06 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1x62 s SER 3 Cb -0.03 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1x62 s SER 3 CO 0.03 0.14 0.79 0.61 1.20 0.00 0.00 173.24 176.01 1x62 n GLY 4 N 2.90 -0.32 0.05 9.45 0.00 -1.26 -4.91 105.19 111.10 1x62 n GLY 4 Ca -0.15 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1x62 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x62 n SER 5 N -3.05 3.13 -3.51 1.61 7.64 -1.26 -5.00 113.62 113.17 1x62 n SER 5 Ca -0.27 -0.04 -0.10 0.00 1.01 0.00 0.00 58.87 59.47 1x62 n SER 5 Cb 0.66 0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.80 1x62 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x62 s SER 6 N -4.80 0.08 0.00 6.43 0.15 -1.26 -5.14 113.70 109.16 1x62 s SER 6 Ca -0.12 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1x62 s SER 6 Cb 0.03 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1x62 s SER 6 CO 0.27 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1x62 n GLY 7 N 5.37 1.42 3.63 9.45 0.00 -1.26 -5.16 105.19 118.65 1x62 n GLY 7 Ca -0.06 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1x62 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x62 s SER 8 N 0.00 4.90 0.04 1.61 1.04 -1.26 -5.12 113.70 114.90 1x62 s SER 8 Ca 0.00 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1x62 s SER 8 Cb 0.00 -1.26 -0.02 0.00 0.10 0.00 0.00 66.02 64.84 1x62 s SER 8 CO 0.00 0.33 -0.06 -0.63 0.98 0.00 0.00 173.24 173.85 1x62 s ILE 9 N -0.94 0.42 -0.85 -1.02 1.01 -1.26 -5.08 121.20 113.48 1x62 s ILE 9 Ca 0.16 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 1x62 s ILE 9 Cb -0.11 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1x62 s ILE 9 CO 0.05 -0.47 1.94 -0.83 0.00 0.00 0.00 174.94 175.63 1x62 s GLY 10 N -1.69 0.17 -0.12 6.18 0.00 -1.26 -4.89 107.32 105.71 1x62 s GLY 10 Ca -0.10 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 1x62 s GLY 10 CO -0.01 3.49 0.25 -1.31 0.00 0.00 0.00 173.10 175.52 1x62 s ASN 11 N 8.10 0.18 0.03 1.64 0.02 -1.26 -5.04 114.94 118.61 1x62 s ASN 11 Ca 0.70 0.54 -0.19 0.00 -1.02 0.00 0.00 52.86 52.89 1x62 s ASN 11 Cb -0.08 0.56 -0.18 0.00 0.02 0.00 0.00 41.25 41.57 1x62 s ASN 11 CO 0.03 -0.21 1.22 0.00 0.02 0.00 0.00 177.10 178.16 1x62 h ALA 12 N 7.93 0.18 -2.33 0.60 0.00 -2.09 -3.45 119.26 120.09 1x62 h ALA 12 Ca -0.23 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.69 1x62 h ALA 12 Cb 1.13 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 19.06 1x62 h ALA 12 CO 0.22 0.30 0.29 -0.65 0.00 0.00 0.00 179.25 179.41 1x62 s GLN 13 N -3.70 1.84 0.45 0.00 -1.52 -1.26 -5.06 119.66 110.41 1x62 s GLN 13 Ca -0.13 1.36 0.03 0.00 -1.95 0.00 0.00 55.36 54.67 1x62 s GLN 13 Cb 0.05 -1.84 -0.04 0.00 -0.22 0.00 0.00 33.01 30.97 1x62 s GLN 13 CO 0.80 -1.98 0.03 -1.59 -0.25 0.00 0.00 175.29 172.30 1x62 s LYS 14 N -4.69 2.04 0.09 2.91 -2.85 -1.26 -5.16 119.74 110.82 1x62 s LYS 14 Ca 0.64 -2.24 0.04 0.00 -1.00 0.00 0.00 55.97 53.41 1x62 s LYS 14 Cb -0.20 -1.35 -0.04 0.00 -2.06 0.00 0.00 37.83 34.18 1x62 s LYS 14 CO 0.55 -0.28 0.08 -0.51 0.10 0.00 0.00 175.35 175.29 1x62 s LEU 15 N -3.75 3.75 -0.37 2.77 1.43 -1.26 -5.06 118.68 116.19 1x62 s LEU 15 Ca 0.19 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.96 1x62 s LEU 15 Cb 0.05 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1x62 s LEU 15 CO 0.10 0.16 1.71 -2.16 0.23 0.00 0.00 176.35 176.39 1x62 s PRO 16 N -2.48 3.34 0.48 1.29 0.04 -1.26 -4.66 135.00 131.76 1x62 s PRO 16 Ca 0.29 1.26 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 1x62 s PRO 16 Cb -0.12 -4.17 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 1x62 s PRO 16 CO 0.22 -1.85 1.40 -1.64 0.04 0.00 0.00 177.00 175.17 1x62 s MET 17 N 5.58 3.50 -0.22 4.56 -1.94 -1.26 -1.85 119.30 127.66 1x62 s MET 17 Ca 0.75 2.35 -0.23 0.00 -1.71 0.00 0.00 55.69 56.85 1x62 s MET 17 Cb -0.20 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.11 1x62 s MET 17 CO 0.33 -0.95 0.74 0.00 -0.01 0.00 0.00 175.02 175.13 1x62 h ASP 19 N 7.61 0.36 0.12 0.00 1.82 -1.87 0.29 116.42 124.75 1x62 h ASP 19 Ca -0.27 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 1x62 h ASP 19 Cb 1.12 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1x62 h ASP 19 CO 0.82 0.31 -0.06 0.50 -1.61 0.00 0.00 179.24 179.21 1x62 h LYS 20 N 0.42 -0.15 0.00 0.28 1.63 -1.92 -3.42 116.57 113.41 1x62 h LYS 20 Ca 0.11 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1x62 h LYS 20 Cb 0.04 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1x62 h LYS 20 CO -0.02 -0.10 -0.17 0.00 -3.45 0.00 0.00 179.45 175.71 1x62 n GLY 22 N 1.73 0.87 3.05 0.00 0.00 0.10 -4.96 105.19 105.99 1x62 n GLY 22 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.48 1.21 -0.41 2.61 -4.23 -1.26 -4.71 115.64 107.37 1x62 s THR 23 Ca 0.00 -0.54 -0.40 0.00 -1.18 0.00 0.00 61.69 59.57 1x62 s THR 23 Cb 0.00 -1.09 -0.15 0.00 1.34 0.00 0.00 72.50 72.60 1x62 s THR 23 CO 0.00 0.37 2.09 0.61 -0.54 0.00 0.00 174.62 177.15 1x62 n GLY 24 N 3.66 0.27 3.77 3.99 0.00 -1.26 -3.24 105.19 112.37 1x62 n GLY 24 Ca -0.22 1.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 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 6.14 2.98 -0.07 -0.61 1.01 -0.77 -4.91 121.20 124.97 1x62 s ILE 25 Ca 1.12 0.58 -0.00 0.00 0.00 0.00 0.00 60.65 62.35 1x62 s ILE 25 Cb -1.17 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1x62 s ILE 25 CO 0.59 -0.16 -0.03 0.54 0.00 0.00 0.00 174.94 175.88 1x62 s VAL 26 N -1.81 0.59 0.00 2.92 0.11 -1.26 -4.35 120.40 116.60 1x62 s VAL 26 Ca 0.73 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1x62 s VAL 26 Cb -0.26 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1x62 s VAL 26 CO 0.32 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1x62 n GLY 27 N 4.70 0.08 3.67 6.54 0.00 -1.26 -4.87 105.19 114.05 1x62 n GLY 27 Ca -0.14 -1.08 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 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 1.36 -3.58 1.61 3.14 -1.26 -4.98 118.33 114.62 1x62 n VAL 28 Ca 0.00 -0.34 -0.06 0.00 -2.96 0.00 0.00 64.34 60.98 1x62 n VAL 28 Cb 0.00 -1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 31.31 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 -0.46 -0.26 -0.65 1.45 -0.12 -1.26 -4.68 117.98 111.99 1x62 s PHE 29 Ca 0.64 0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 57.36 1x62 s PHE 29 Cb -0.63 0.56 0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1x62 s PHE 29 CO 0.54 -0.59 1.08 0.08 -0.05 0.00 0.00 175.22 176.29 1x62 s VAL 30 N -3.10 4.12 -0.62 -2.49 1.01 -0.24 -4.90 120.40 114.19 1x62 s VAL 30 Ca 0.08 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1x62 s VAL 30 Cb -0.01 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.68 1x62 s VAL 30 CO -0.06 -1.49 1.11 -0.75 0.00 0.00 0.00 175.10 173.91 1x62 s LYS 31 N 4.66 3.33 0.62 2.72 2.36 -1.26 -1.49 119.74 130.68 1x62 s LYS 31 Ca 0.30 -0.17 -0.09 0.00 -2.55 0.00 0.00 55.97 53.46 1x62 s LYS 31 Cb -0.12 -4.09 -0.01 0.00 -1.05 0.00 0.00 37.83 32.56 1x62 s LYS 31 CO 0.15 -1.75 0.99 -0.51 1.55 0.00 0.00 175.35 175.79 1x62 s LEU 32 N 4.71 3.17 0.00 5.43 2.01 0.89 -4.98 118.68 129.91 1x62 s LEU 32 Ca 0.34 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.59 1x62 s LEU 32 Cb -0.10 -4.00 0.00 0.00 0.01 0.00 0.00 46.19 42.09 1x62 s LEU 32 CO 0.19 -1.03 0.54 0.54 1.01 0.00 0.00 176.35 177.60 1x62 n ARG 33 N -2.73 0.00 -0.06 1.70 1.74 -1.26 -2.88 116.66 113.17 1x62 n ARG 33 Ca 0.05 0.54 0.03 0.00 -0.77 0.00 0.00 57.85 57.70 1x62 n ARG 33 Cb 0.56 -0.87 0.06 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.97 2.30 -4.30 0.55 8.00 -1.26 -5.04 116.55 114.83 1x62 n ASP 34 Ca 0.00 -2.21 -0.24 0.00 0.71 0.00 0.00 54.79 53.05 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 1.81 0.04 -1.24 1.81 -1.14 -5.17 118.95 113.69 1x62 s ARG 35 Ca 0.11 -2.07 0.01 0.00 -1.72 0.00 0.00 55.73 52.05 1x62 s ARG 35 Cb 0.08 -0.76 -0.03 0.00 -0.45 0.00 0.00 34.95 33.79 1x62 s ARG 35 CO 0.04 -0.35 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.25 1x62 s HIS 36 N -3.24 0.48 0.33 -0.53 3.76 -1.26 -0.08 115.29 114.74 1x62 s HIS 36 Ca 0.28 -0.65 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1x62 s HIS 36 Cb 0.05 -0.31 0.03 0.00 1.11 0.00 0.00 32.58 33.46 1x62 s HIS 36 CO 0.14 -0.19 0.68 1.03 -0.85 0.00 0.00 174.74 175.55 1x62 s ARG 37 N -2.15 1.96 0.35 1.40 0.52 -0.55 -2.60 118.95 117.88 1x62 s ARG 37 Ca -0.08 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1x62 s ARG 37 Cb -0.05 0.57 -0.03 0.00 0.52 0.00 0.00 34.95 35.96 1x62 s ARG 37 CO -0.03 -0.89 0.56 -1.01 0.02 0.00 0.00 175.30 173.96 1x62 s HIS 38 N -3.14 3.49 -1.71 -0.53 3.76 -1.26 -1.08 115.29 114.83 1x62 s HIS 38 Ca 0.17 0.36 0.15 0.00 -0.15 0.00 0.00 55.06 55.60 1x62 s HIS 38 Cb -0.04 -1.92 0.84 0.00 1.11 0.00 0.00 32.58 32.57 1x62 s HIS 38 CO 0.11 0.09 1.37 -0.35 -0.85 0.00 0.00 174.74 175.12 1x62 n PRO 39 N -1.81 0.35 -0.02 8.40 -0.04 -1.26 -1.92 135.00 138.70 1x62 n PRO 39 Ca -0.04 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1x62 n PRO 39 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.14 2.49 0.19 0.54 0.28 -1.26 -4.64 120.64 117.10 1x62 n GLU 40 Ca 0.09 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 1x62 n GLU 40 Cb 0.09 -1.08 0.24 0.00 1.43 0.00 0.00 31.44 32.11 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x62 h TYR 42 N 0.00 0.00 -3.39 0.00 3.20 -1.64 -3.41 116.97 111.72 1x62 h TYR 42 Ca -0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.29 1x62 h TYR 42 Cb 1.05 0.00 0.16 0.00 1.54 0.00 0.00 36.73 39.48 1x62 h TYR 42 CO 0.00 0.00 0.01 1.33 -1.64 0.00 0.00 178.16 177.86 1x62 n VAL 43 N -2.79 3.26 -1.01 1.81 0.24 -1.22 -4.37 118.33 114.24 1x62 n VAL 43 Ca 0.04 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.50 1x62 n VAL 43 Cb 0.93 -1.04 0.10 0.00 -1.47 0.00 0.00 33.84 32.36 1x62 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x62 n THR 45 N -3.06 1.60 0.25 0.00 -1.04 -1.15 -2.97 114.28 107.91 1x62 n THR 45 Ca 0.08 -0.75 -0.10 0.00 -2.04 0.00 0.00 64.05 61.24 1x62 n THR 45 Cb 0.52 -1.15 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 1x62 n THR 45 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1x62 h ASP 46 N 0.02 -0.57 0.00 8.00 5.19 -1.92 -3.42 116.42 123.72 1x62 h ASP 46 Ca -0.40 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1x62 h ASP 46 Cb 2.05 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 41.71 1x62 h ASP 46 CO 0.06 -0.22 -0.81 0.00 -3.12 0.00 0.00 179.24 175.15 1x62 n GLY 48 N 1.53 0.73 3.54 0.00 0.00 -1.16 -4.98 105.19 104.85 1x62 n GLY 48 Ca -0.12 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.43 3.19 -0.13 2.61 -1.32 -1.26 -4.69 115.64 113.61 1x62 s THR 49 Ca 0.00 -1.23 -0.29 0.00 -1.21 0.00 0.00 61.69 58.96 1x62 s THR 49 Cb 0.00 -2.44 -0.06 0.00 -1.51 0.00 0.00 72.50 68.48 1x62 s THR 49 CO 0.00 0.19 2.12 0.21 -2.21 0.00 0.00 174.62 174.93 1x62 s ASN 50 N -1.93 5.82 -0.07 8.08 3.84 -1.26 -1.63 114.94 127.78 1x62 s ASN 50 Ca 0.19 2.15 0.14 0.00 0.21 0.00 0.00 52.86 55.55 1x62 s ASN 50 Cb -0.11 -2.52 0.52 0.00 -0.55 0.00 0.00 41.25 38.60 1x62 s ASN 50 CO 0.10 -1.63 1.40 0.18 -2.79 0.00 0.00 177.10 174.36 1x62 n LEU 51 N 10.17 3.52 -0.36 3.21 4.77 -1.26 -4.57 117.00 132.49 1x62 n LEU 51 Ca 0.26 -1.77 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 1x62 n LEU 51 Cb 0.44 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1x62 n LEU 51 CO 0.67 0.63 0.50 0.50 -1.33 0.00 0.00 177.39 178.36 1x62 h LYS 52 N 3.02 -0.08 0.00 3.23 3.64 -1.90 -2.47 116.57 122.01 1x62 h LYS 52 Ca 0.00 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1x62 h LYS 52 Cb 1.08 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1x62 h LYS 52 CO 0.15 -0.05 -1.45 1.04 -2.27 0.00 0.00 179.45 176.87 1x62 n GLN 53 N -5.30 0.54 -0.09 1.90 1.13 -1.26 -4.63 117.38 109.67 1x62 n GLN 53 Ca 0.02 0.31 -0.02 0.00 -1.94 0.00 0.00 57.00 55.37 1x62 n GLN 53 Cb 0.29 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 1x62 n GLN 53 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x62 n LYS 54 N -4.41 -0.10 0.00 -1.09 5.02 -1.24 -4.92 118.16 111.42 1x62 n LYS 54 Ca -0.28 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1x62 n LYS 54 Cb 0.62 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1x62 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x62 n GLY 55 N -1.05 3.23 3.35 0.72 0.00 -0.93 -4.93 105.19 105.58 1x62 n GLY 55 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.19 1.64 0.04 1.61 -3.43 -1.26 -4.02 115.29 107.67 1x62 s HIS 56 Ca 0.00 -1.16 -0.01 0.00 -0.80 0.00 0.00 55.06 53.09 1x62 s HIS 56 Cb 0.00 -0.98 -0.03 0.00 -1.43 0.00 0.00 32.58 30.14 1x62 s HIS 56 CO 0.00 -0.28 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.38 1x62 s PHE 57 N -3.63 0.38 -0.36 0.38 0.40 -0.67 -4.84 117.98 109.62 1x62 s PHE 57 Ca 0.37 -0.79 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 1x62 s PHE 57 Cb 0.08 -0.28 -0.00 0.00 0.51 0.00 0.00 43.02 43.32 1x62 s PHE 57 CO 0.14 -0.30 0.36 -0.06 0.70 0.00 0.00 175.22 176.06 1x62 s PHE 58 N -2.74 3.21 -0.07 0.36 0.08 -1.26 -2.92 117.98 114.63 1x62 s PHE 58 Ca -0.04 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1x62 s PHE 58 Cb -0.01 -2.68 0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1x62 s PHE 58 CO -0.06 -0.49 0.09 0.08 -0.10 0.00 0.00 175.22 174.74 1x62 s VAL 59 N 1.97 -0.14 -1.51 -0.44 1.01 -0.74 -4.86 120.40 115.70 1x62 s VAL 59 Ca 0.10 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1x62 s VAL 59 Cb -0.17 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.04 1x62 s VAL 59 CO 0.12 0.10 1.00 -0.62 0.00 0.00 0.00 175.10 175.70 1x62 n GLU 60 N 5.30 -5.81 -2.52 2.72 -0.58 -1.26 -0.62 120.64 117.88 1x62 n GLU 60 Ca -0.04 0.63 -0.17 0.00 -0.42 0.00 0.00 57.16 57.16 1x62 n GLU 60 Cb 0.50 -5.53 0.01 0.00 -0.57 0.00 0.00 31.44 25.85 1x62 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x62 n ASP 61 N -2.87 -4.99 -3.88 1.62 -0.08 -1.26 -4.99 116.55 100.10 1x62 n ASP 61 Ca 0.02 -0.09 -0.23 0.00 -1.51 0.00 0.00 54.79 52.98 1x62 n ASP 61 Cb 0.54 -4.00 -0.08 0.00 2.34 0.00 0.00 41.12 39.92 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 -5.06 1.82 -0.01 -0.67 -1.52 0.21 -5.09 119.66 109.34 1x62 s GLN 62 Ca 0.09 -2.08 0.06 0.00 -1.95 0.00 0.00 55.36 51.47 1x62 s GLN 62 Cb -0.04 -0.25 -0.01 0.00 -0.22 0.00 0.00 33.01 32.49 1x62 s GLN 62 CO 0.11 -0.52 -0.18 0.96 -0.25 0.00 0.00 175.29 175.41 1x62 s ILE 63 N -3.36 1.43 0.21 1.08 -4.36 -1.26 -1.80 121.20 113.14 1x62 s ILE 63 Ca 0.31 -0.77 -0.09 0.00 -0.26 0.00 0.00 60.65 59.84 1x62 s ILE 63 Cb 0.03 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.54 1x62 s ILE 63 CO 0.19 0.40 0.33 -0.31 0.24 0.00 0.00 174.94 175.79 1x62 s TYR 64 N -0.42 0.55 0.21 1.37 2.02 -1.15 -2.94 117.35 117.00 1x62 s TYR 64 Ca 0.07 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 1x62 s TYR 64 Cb -0.07 -0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.34 1x62 s TYR 64 CO -0.01 -0.82 0.89 0.00 -1.57 0.00 0.00 175.55 174.05 1x62 n GLU 66 N 1.62 -0.05 0.36 0.00 2.13 -1.26 0.31 120.64 123.75 1x62 n GLU 66 Ca -0.03 1.07 -0.17 0.00 0.66 0.00 0.00 57.16 58.69 1x62 n GLU 66 Cb 0.48 -1.86 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 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 -1.00 0.42 5.31 3.64 -1.94 -2.55 116.57 120.45 1x62 h LYS 67 Ca 0.60 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 60.02 1x62 h LYS 67 Cb 1.51 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1x62 h LYS 67 CO -0.62 -0.66 -0.20 0.45 -2.27 0.00 0.00 179.45 176.15 1x62 h HIS 68 N -1.03 -0.52 -0.58 1.91 3.86 -0.52 -3.24 115.15 115.03 1x62 h HIS 68 Ca -0.09 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1x62 h HIS 68 Cb 0.84 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 1x62 h HIS 68 CO -0.12 -0.22 -0.34 0.00 0.86 0.00 0.00 177.93 178.11 1x62 n ALA 69 N -2.48 -0.37 -0.25 2.45 0.00 0.86 0.11 120.51 120.84 1x62 n ALA 69 Ca -0.11 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.83 1x62 n ALA 69 Cb 0.29 -0.03 0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.00 -0.98 0.00 3.08 -1.50 0.37 114.38 115.35 1x62 h ARG 70 Ca 0.09 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1x62 h ARG 70 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1x62 h ARG 70 CO -0.54 -0.00 0.62 0.93 -1.07 0.00 0.00 179.97 179.91 1x62 h GLU 71 N -0.00 1.07 0.01 0.04 4.39 0.75 -2.52 114.58 118.32 1x62 h GLU 71 Ca 0.34 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1x62 h GLU 71 Cb 0.52 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1x62 h GLU 71 CO -0.74 0.71 -0.00 0.00 -1.16 0.00 0.00 179.01 177.82 1x62 h ARG 72 N 1.11 -0.01 -0.57 2.33 3.08 0.10 -3.25 114.38 117.17 1x62 h ARG 72 Ca 0.43 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.55 1x62 h ARG 72 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 1x62 h ARG 72 CO -0.19 0.29 -0.55 0.28 -1.07 0.00 0.00 179.97 178.73 1x62 h VAL 73 N -0.30 0.01 -3.28 2.04 2.07 -0.48 -3.41 116.25 112.89 1x62 h VAL 73 Ca -0.00 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.11 1x62 h VAL 73 Cb 0.30 0.01 0.20 0.00 -1.52 0.00 0.00 31.29 30.29 1x62 h VAL 73 CO 0.00 0.00 0.01 -0.55 0.02 0.00 0.00 177.57 177.05 1x62 s SER 74 N -5.17 0.12 0.04 0.57 0.15 -1.07 -5.06 113.70 103.28 1x62 s SER 74 Ca -0.14 0.88 0.05 0.00 0.70 0.00 0.00 55.95 57.44 1x62 s SER 74 Cb 0.10 -1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.11 1x62 s SER 74 CO 0.62 -4.65 -0.15 -0.83 1.20 0.00 0.00 173.24 169.43 1x62 s GLY 75 N -3.35 0.86 0.08 9.45 0.00 -1.26 -4.97 107.32 108.13 1x62 s GLY 75 Ca 0.69 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 44.36 1x62 s GLY 75 CO 0.58 -0.86 1.40 -0.56 0.00 0.00 0.00 173.10 173.66 1x62 h PRO 76 N 4.85 0.62 -3.48 2.90 0.13 -1.95 -3.46 132.00 131.60 1x62 h PRO 76 Ca -0.39 -0.33 -0.15 0.00 -0.87 0.00 0.00 66.00 64.26 1x62 h PRO 76 Cb 1.18 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 1x62 h PRO 76 CO 0.43 0.93 -0.50 -1.54 -0.23 0.00 0.00 178.00 177.09 1x62 s SER 77 N -6.45 -0.01 0.96 1.44 1.04 -1.26 -5.16 113.70 104.27 1x62 s SER 77 Ca -0.13 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1x62 s SER 77 Cb 0.08 0.23 0.17 0.00 0.10 0.00 0.00 66.02 66.59 1x62 s SER 77 CO 0.81 -0.31 1.09 -0.55 0.98 0.00 0.00 173.24 175.26 1x62 s SER 78 N -1.12 2.90 0.00 7.02 0.15 -1.26 -5.26 113.70 116.13 1x62 s SER 78 Ca -0.12 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1x62 s SER 78 Cb -0.06 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1x62 s SER 78 CO 0.01 -2.97 0.00 0.61 1.20 0.00 0.00 173.24 172.09