#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x62 h SER 2 N 0.00 0.00 -5.17 1.61 0.87 -2.15 -3.50 113.55 105.22 1x62 h SER 2 Ca 0.00 -0.64 0.15 0.00 -1.23 0.00 0.00 61.79 60.07 1x62 h SER 2 Cb 0.00 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.87 1x62 h SER 2 CO 0.00 1.24 0.47 -0.55 -0.53 0.00 0.00 176.83 177.46 1x62 s SER 3 N -6.53 -0.23 0.00 6.23 0.15 -1.26 -5.19 113.70 106.88 1x62 s SER 3 Ca -0.24 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1x62 s SER 3 Cb 0.02 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1x62 s SER 3 CO 0.59 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1x62 n GLY 4 N -0.42 2.44 2.98 9.45 0.00 -1.26 -5.17 105.19 113.21 1x62 n GLY 4 Ca -0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1x62 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x62 s SER 5 N 0.00 0.34 0.04 1.61 1.04 -1.26 -5.17 113.70 110.30 1x62 s SER 5 Ca 0.00 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1x62 s SER 5 Cb 0.00 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1x62 s SER 5 CO 0.00 -0.24 0.07 -0.55 0.98 0.00 0.00 173.24 173.49 1x62 s SER 6 N -1.30 0.24 0.35 7.02 0.15 -1.26 -5.17 113.70 113.73 1x62 s SER 6 Ca -0.13 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.79 1x62 s SER 6 Cb -0.09 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1x62 s SER 6 CO -0.01 -0.51 0.66 0.61 1.20 0.00 0.00 173.24 175.19 1x62 n GLY 7 N 0.69 1.32 3.73 9.45 0.00 -1.26 -5.18 105.19 113.94 1x62 n GLY 7 Ca -0.18 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 1x62 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x62 s SER 8 N -2.91 4.74 -0.15 1.61 0.15 -1.26 -5.13 113.70 110.75 1x62 s SER 8 Ca 0.17 -0.70 -0.03 0.00 0.70 0.00 0.00 55.95 56.09 1x62 s SER 8 Cb -0.04 -0.81 0.05 0.00 -1.71 0.00 0.00 66.02 63.52 1x62 s SER 8 CO 0.13 -0.22 0.05 -0.63 1.20 0.00 0.00 173.24 173.77 1x62 s ILE 9 N -2.38 0.19 0.00 6.45 1.01 -1.26 -5.10 121.20 120.11 1x62 s ILE 9 Ca 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1x62 s ILE 9 Cb -0.04 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1x62 s ILE 9 CO 0.22 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1x62 n GLY 10 N 5.18 3.72 3.76 6.18 0.00 -1.26 -5.14 105.19 117.63 1x62 n GLY 10 Ca -0.07 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 5.51 -0.01 1.61 4.22 -1.26 -5.04 114.94 119.96 1x62 s ASN 11 Ca 0.00 2.52 0.00 0.00 -2.14 0.00 0.00 52.86 53.25 1x62 s ASN 11 Cb 0.00 -2.62 0.01 0.00 1.28 0.00 0.00 41.25 39.93 1x62 s ASN 11 CO 0.00 -1.39 -0.00 0.00 -2.04 0.00 0.00 177.10 173.67 1x62 s ALA 12 N -1.45 0.17 0.68 3.54 0.00 -1.26 -5.15 121.76 118.30 1x62 s ALA 12 Ca 0.71 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1x62 s ALA 12 Cb -0.34 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1x62 s ALA 12 CO 0.40 -0.03 1.17 -0.65 0.00 0.00 0.00 175.76 176.65 1x62 s GLN 13 N 0.51 2.49 0.33 0.00 -1.52 -1.26 -5.02 119.66 115.19 1x62 s GLN 13 Ca -0.05 1.65 -0.10 0.00 -1.95 0.00 0.00 55.36 54.92 1x62 s GLN 13 Cb -0.07 -1.89 -0.07 0.00 -0.22 0.00 0.00 33.01 30.76 1x62 s GLN 13 CO -0.01 -1.55 0.67 -1.59 -0.25 0.00 0.00 175.29 172.57 1x62 s LYS 14 N -3.87 3.79 -0.03 2.91 -2.85 -1.26 -5.10 119.74 113.34 1x62 s LYS 14 Ca 0.72 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.94 1x62 s LYS 14 Cb -0.26 -2.50 0.02 0.00 -2.06 0.00 0.00 37.83 33.02 1x62 s LYS 14 CO 0.42 0.12 0.27 -0.51 0.10 0.00 0.00 175.35 175.75 1x62 s LEU 15 N -3.42 1.01 -0.56 2.77 1.43 -1.26 -5.09 118.68 113.57 1x62 s LEU 15 Ca 0.49 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 1x62 s LEU 15 Cb -0.11 1.09 -0.02 0.00 0.03 0.00 0.00 46.19 47.18 1x62 s LEU 15 CO 0.26 -0.36 1.83 -2.16 0.23 0.00 0.00 176.35 176.15 1x62 s PRO 16 N -1.06 2.78 0.17 1.29 0.04 -1.26 -4.66 135.00 132.31 1x62 s PRO 16 Ca -0.11 0.74 -0.32 0.00 0.04 0.00 0.00 61.00 61.36 1x62 s PRO 16 Cb -0.05 -4.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 1x62 s PRO 16 CO 0.03 -2.55 1.66 -1.64 0.04 0.00 0.00 177.00 174.54 1x62 s MET 17 N 6.73 4.17 0.87 4.56 -1.94 -1.26 -2.41 119.30 130.02 1x62 s MET 17 Ca 0.69 2.48 -0.13 0.00 -1.71 0.00 0.00 55.69 57.02 1x62 s MET 17 Cb -0.14 -3.19 0.06 0.00 2.01 0.00 0.00 34.83 33.57 1x62 s MET 17 CO 0.23 -0.69 0.77 0.00 -0.01 0.00 0.00 175.02 175.31 1x62 n ASP 19 N -2.19 1.24 0.21 0.00 2.03 -1.21 -3.46 116.55 113.17 1x62 n ASP 19 Ca 0.10 -0.05 -0.09 0.00 0.52 0.00 0.00 54.79 55.28 1x62 n ASP 19 Cb 0.52 0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 41.33 1x62 n ASP 19 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1x62 h LYS 20 N 0.00 -0.54 0.00 -0.67 3.11 -1.91 -3.40 116.57 113.16 1x62 h LYS 20 Ca -0.49 0.04 -0.20 0.00 -2.81 0.00 0.00 60.65 57.19 1x62 h LYS 20 Cb 1.97 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 33.30 1x62 h LYS 20 CO -0.01 -0.36 -1.16 0.00 -2.81 0.00 0.00 179.45 175.10 1x62 n GLY 22 N 1.46 0.77 3.44 0.00 0.00 -1.22 -5.04 105.19 104.60 1x62 n GLY 22 Ca -0.29 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.01 -0.24 2.61 -4.23 -1.26 -4.82 115.64 106.21 1x62 s THR 23 Ca 0.00 0.03 -0.42 0.00 -1.18 0.00 0.00 61.69 60.12 1x62 s THR 23 Cb 0.00 -0.77 -0.18 0.00 1.34 0.00 0.00 72.50 72.89 1x62 s THR 23 CO 0.00 0.01 1.49 0.61 -0.54 0.00 0.00 174.62 176.19 1x62 n GLY 24 N 3.75 0.32 3.85 3.99 0.00 -1.26 -2.06 105.19 113.78 1x62 n GLY 24 Ca -0.19 0.89 -0.32 0.00 0.00 0.00 0.00 46.02 46.40 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 2.11 4.67 -0.13 -0.61 1.01 -1.01 -4.88 121.20 122.36 1x62 s ILE 25 Ca 0.97 0.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.50 1x62 s ILE 25 Cb -1.25 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 37.64 1x62 s ILE 25 CO 0.67 -0.29 0.29 0.54 0.00 0.00 0.00 174.94 176.15 1x62 s VAL 26 N -2.11 -0.19 0.00 2.92 0.11 -1.26 -4.43 120.40 115.44 1x62 s VAL 26 Ca 0.54 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1x62 s VAL 26 Cb -0.10 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1x62 s VAL 26 CO 0.20 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1x62 n GLY 27 N 4.66 0.56 3.75 6.54 0.00 -1.26 -4.88 105.19 114.56 1x62 n GLY 27 Ca -0.18 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1x62 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x62 s VAL 28 N 0.00 2.97 0.10 1.61 0.11 -1.26 -5.01 120.40 118.91 1x62 s VAL 28 Ca 0.00 0.85 -0.25 0.00 -2.93 0.00 0.00 61.98 59.64 1x62 s VAL 28 Cb 0.00 -3.54 0.08 0.00 -1.53 0.00 0.00 36.38 31.39 1x62 s VAL 28 CO 0.00 0.15 0.73 0.72 -3.33 0.00 0.00 175.10 173.37 1x62 s PHE 29 N -0.27 -0.44 -0.58 1.54 -0.12 -1.26 -4.41 117.98 112.44 1x62 s PHE 29 Ca 0.55 0.25 -0.20 0.00 -0.05 0.00 0.00 56.93 57.47 1x62 s PHE 29 Cb -0.38 0.56 0.08 0.00 -0.63 0.00 0.00 43.02 42.64 1x62 s PHE 29 CO 0.43 -0.74 0.77 0.08 -0.05 0.00 0.00 175.22 175.71 1x62 s VAL 30 N -3.49 4.67 -0.38 -2.49 1.01 0.17 -4.86 120.40 115.02 1x62 s VAL 30 Ca 0.03 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1x62 s VAL 30 Cb -0.01 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1x62 s VAL 30 CO -0.10 -1.12 1.38 -0.75 0.00 0.00 0.00 175.10 174.50 1x62 s LYS 31 N 3.13 3.67 0.68 2.72 2.36 -1.26 -1.65 119.74 129.39 1x62 s LYS 31 Ca 0.17 1.02 -0.10 0.00 -2.55 0.00 0.00 55.97 54.51 1x62 s LYS 31 Cb -0.20 -3.98 0.02 0.00 -1.05 0.00 0.00 37.83 32.62 1x62 s LYS 31 CO 0.10 -1.44 1.05 -0.51 1.55 0.00 0.00 175.35 176.10 1x62 s LEU 32 N 5.11 2.96 0.00 5.43 1.43 0.38 -4.97 118.68 129.03 1x62 s LEU 32 Ca 0.60 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1x62 s LEU 32 Cb -0.14 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1x62 s LEU 32 CO 0.30 -1.32 0.52 -1.14 0.23 0.00 0.00 176.35 174.94 1x62 n ARG 33 N -2.91 0.00 -0.03 1.70 0.63 -1.26 -2.75 116.66 112.03 1x62 n ARG 33 Ca 0.06 0.52 0.01 0.00 -0.92 0.00 0.00 57.85 57.53 1x62 n ARG 33 Cb 0.58 -0.82 0.03 0.00 0.45 0.00 0.00 32.46 32.69 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1x62 n ASP 34 N -2.12 2.07 -4.28 6.15 5.75 -1.26 -5.04 116.55 117.83 1x62 n ASP 34 Ca 0.00 -1.89 -0.24 0.00 -0.01 0.00 0.00 54.79 52.65 1x62 n ASP 34 Cb 0.00 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1x62 s ARG 35 N -0.90 1.82 -0.00 0.11 1.81 -1.11 -5.17 118.95 115.51 1x62 s ARG 35 Ca 0.05 -2.08 0.01 0.00 -1.72 0.00 0.00 55.73 51.99 1x62 s ARG 35 Cb 0.03 -0.73 -0.00 0.00 -0.45 0.00 0.00 34.95 33.79 1x62 s ARG 35 CO 0.03 -0.36 -0.04 -1.01 -0.68 0.00 0.00 175.30 173.24 1x62 s HIS 36 N -3.25 0.37 0.11 -0.53 3.76 -1.26 0.15 115.29 114.64 1x62 s HIS 36 Ca 0.28 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 1x62 s HIS 36 Cb 0.05 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 1x62 s HIS 36 CO 0.14 -0.01 0.05 1.03 -0.85 0.00 0.00 174.74 175.11 1x62 s ARG 37 N -0.09 0.87 0.71 1.40 0.52 -0.66 -3.31 118.95 118.39 1x62 s ARG 37 Ca 0.02 -1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 53.75 1x62 s ARG 37 Cb -0.02 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.71 1x62 s ARG 37 CO -0.00 -0.24 1.07 -1.01 0.02 0.00 0.00 175.30 175.14 1x62 s HIS 38 N -4.01 3.02 -1.09 -0.53 3.76 -1.26 -0.66 115.29 114.51 1x62 s HIS 38 Ca 0.20 1.43 0.14 0.00 -0.15 0.00 0.00 55.06 56.68 1x62 s HIS 38 Cb 0.07 -2.91 0.63 0.00 1.11 0.00 0.00 32.58 31.48 1x62 s HIS 38 CO -0.01 -1.34 1.44 -0.35 -0.85 0.00 0.00 174.74 173.63 1x62 n PRO 39 N -3.21 0.04 -0.01 8.40 -0.04 -1.26 -1.93 135.00 137.00 1x62 n PRO 39 Ca 0.08 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1x62 n PRO 39 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.45 0.87 0.13 0.54 0.28 -1.26 -4.60 120.64 115.15 1x62 n GLU 40 Ca 0.04 -0.03 0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1x62 n GLU 40 Cb 0.16 -1.11 0.03 0.00 1.43 0.00 0.00 31.44 31.94 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 -3.36 0.00 3.20 -1.64 -3.42 116.97 111.75 1x62 h TYR 42 Ca -0.03 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.30 1x62 h TYR 42 Cb 1.31 0.00 0.21 0.00 1.54 0.00 0.00 36.73 39.79 1x62 h TYR 42 CO 0.00 0.00 -0.59 1.33 -1.64 0.00 0.00 178.16 177.26 1x62 n VAL 43 N -2.51 0.11 -0.75 1.81 0.24 -1.25 -4.53 118.33 111.45 1x62 n VAL 43 Ca -0.01 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.76 1x62 n VAL 43 Cb 0.72 -0.61 0.14 0.00 -1.47 0.00 0.00 33.84 32.61 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 -3.84 1.63 0.18 0.00 -1.04 -1.19 -3.24 114.28 106.79 1x62 n THR 45 Ca 0.06 -0.68 -0.07 0.00 -2.04 0.00 0.00 64.05 61.32 1x62 n THR 45 Cb 0.55 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 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 -0.40 0.00 8.00 1.82 -1.93 -3.41 116.42 120.53 1x62 h ASP 46 Ca -0.46 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.18 1x62 h ASP 46 Cb 2.02 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 42.13 1x62 h ASP 46 CO 0.03 -0.23 -0.71 0.00 -1.61 0.00 0.00 179.24 176.72 1x62 n GLY 48 N 1.56 0.77 3.76 0.00 0.00 -1.20 -4.97 105.19 105.11 1x62 n GLY 48 Ca -0.11 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.33 4.40 -0.08 2.61 -1.32 -1.26 -4.66 115.64 115.00 1x62 s THR 49 Ca 0.00 -0.88 -0.29 0.00 -1.21 0.00 0.00 61.69 59.30 1x62 s THR 49 Cb 0.00 -3.14 -0.07 0.00 -1.51 0.00 0.00 72.50 67.78 1x62 s THR 49 CO 0.00 0.08 1.99 0.20 -2.21 0.00 0.00 174.62 174.68 1x62 s ASN 50 N -2.52 6.12 0.00 8.08 -0.87 -1.26 -1.52 114.94 122.98 1x62 s ASN 50 Ca 0.29 2.27 0.24 0.00 -1.57 0.00 0.00 52.86 54.09 1x62 s ASN 50 Cb -0.12 -2.52 0.35 0.00 -0.02 0.00 0.00 41.25 38.94 1x62 s ASN 50 CO 0.21 -1.37 1.35 0.18 -2.57 0.00 0.00 177.10 174.91 1x62 n LEU 51 N 8.99 2.94 -0.31 0.60 4.77 -1.26 -4.48 117.00 128.25 1x62 n LEU 51 Ca 0.23 -1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.13 1x62 n LEU 51 Cb 0.43 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1x62 n LEU 51 CO 0.67 0.54 0.63 0.50 -1.33 0.00 0.00 177.39 178.40 1x62 h LYS 52 N 4.35 -0.04 0.00 3.23 3.64 -1.90 -0.31 116.57 125.53 1x62 h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x62 h LYS 52 Cb 0.93 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1x62 h LYS 52 CO 0.00 -0.03 -0.29 1.04 -2.27 0.00 0.00 179.45 177.90 1x62 n GLN 53 N -5.49 0.22 -0.27 1.90 1.13 -1.26 -4.58 117.38 109.03 1x62 n GLN 53 Ca 0.09 0.30 -0.07 0.00 -1.94 0.00 0.00 57.00 55.39 1x62 n GLN 53 Cb 0.40 -1.11 -0.06 0.00 0.11 0.00 0.00 30.24 29.57 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 -3.36 -0.28 0.00 -1.09 5.02 -1.24 -4.92 118.16 112.29 1x62 n LYS 54 Ca -0.04 1.13 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 1x62 n LYS 54 Cb 0.15 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.16 3.35 3.28 0.72 0.00 -0.13 -4.96 105.19 106.29 1x62 n GLY 55 Ca 0.01 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.53 1.65 0.42 1.61 -3.43 -1.26 -4.25 115.29 107.51 1x62 s HIS 56 Ca 0.00 -0.47 0.07 0.00 -0.80 0.00 0.00 55.06 53.86 1x62 s HIS 56 Cb 0.00 -0.87 -0.05 0.00 -1.43 0.00 0.00 32.58 30.23 1x62 s HIS 56 CO 0.00 0.22 0.16 -0.06 -2.00 0.00 0.00 174.74 173.06 1x62 s PHE 57 N -1.66 2.52 -0.31 0.38 0.40 -0.42 -4.91 117.98 113.98 1x62 s PHE 57 Ca 0.09 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1x62 s PHE 57 Cb -0.08 -1.92 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1x62 s PHE 57 CO 0.05 0.19 0.03 -0.06 0.70 0.00 0.00 175.22 176.12 1x62 s PHE 58 N -2.63 3.24 -0.04 0.36 0.08 -1.26 -3.37 117.98 114.35 1x62 s PHE 58 Ca 0.39 -1.69 -0.02 0.00 0.12 0.00 0.00 56.93 55.72 1x62 s PHE 58 Cb 0.04 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1x62 s PHE 58 CO 0.21 -0.77 0.07 0.08 -0.10 0.00 0.00 175.22 174.71 1x62 s VAL 59 N 1.31 -0.13 -1.48 -0.44 1.01 -0.82 -4.86 120.40 114.99 1x62 s VAL 59 Ca -0.04 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1x62 s VAL 59 Cb -0.19 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1x62 s VAL 59 CO -0.00 0.17 0.89 -0.62 0.00 0.00 0.00 175.10 175.55 1x62 n GLU 60 N 5.26 -5.25 -2.60 2.72 1.02 -1.26 -0.49 120.64 120.04 1x62 n GLU 60 Ca -0.04 0.59 -0.20 0.00 -0.02 0.00 0.00 57.16 57.49 1x62 n GLU 60 Cb 0.50 -5.37 0.01 0.00 -0.02 0.00 0.00 31.44 26.56 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 -2.89 -5.74 -3.94 1.62 -0.08 -1.26 -4.98 116.55 99.28 1x62 n ASP 61 Ca -0.05 -0.11 -0.23 0.00 -1.51 0.00 0.00 54.79 52.88 1x62 n ASP 61 Cb 0.57 -4.70 -0.08 0.00 2.34 0.00 0.00 41.12 39.25 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 -5.23 1.84 -0.02 -0.67 -0.21 0.36 -5.16 119.66 110.57 1x62 s GLN 62 Ca 0.11 -2.10 0.06 0.00 0.02 0.00 0.00 55.36 53.45 1x62 s GLN 62 Cb -0.05 -0.34 -0.01 0.00 1.00 0.00 0.00 33.01 33.61 1x62 s GLN 62 CO 0.13 -0.51 -0.20 0.96 -2.12 0.00 0.00 175.29 173.56 1x62 s ILE 63 N -3.32 1.54 0.14 1.08 -4.36 -1.26 -1.95 121.20 113.07 1x62 s ILE 63 Ca 0.29 -0.83 -0.12 0.00 -0.26 0.00 0.00 60.65 59.73 1x62 s ILE 63 Cb 0.03 -1.28 0.01 0.00 1.25 0.00 0.00 42.46 42.47 1x62 s ILE 63 CO 0.18 0.44 0.32 -0.31 0.24 0.00 0.00 174.94 175.80 1x62 s TYR 64 N -0.46 0.10 0.30 1.37 2.02 -1.22 -3.16 117.35 116.31 1x62 s TYR 64 Ca 0.07 -0.47 -0.28 0.00 -0.37 0.00 0.00 57.07 56.03 1x62 s TYR 64 Cb -0.08 0.09 -0.09 0.00 -0.40 0.00 0.00 41.96 41.48 1x62 s TYR 64 CO -0.01 -0.69 1.00 0.00 -1.57 0.00 0.00 175.55 174.29 1x62 n GLU 66 N 0.91 -0.06 0.26 0.00 2.13 -1.26 0.28 120.64 122.91 1x62 n GLU 66 Ca 0.00 1.10 -0.14 0.00 0.66 0.00 0.00 57.16 58.77 1x62 n GLU 66 Cb 0.48 -1.80 -0.08 0.00 0.27 0.00 0.00 31.44 30.30 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 -0.80 0.38 5.31 3.64 -1.96 -2.28 116.57 120.87 1x62 h LYS 67 Ca 0.51 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.92 1x62 h LYS 67 Cb 1.15 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1x62 h LYS 67 CO -0.67 -0.53 -0.18 0.45 -2.27 0.00 0.00 179.45 176.25 1x62 h HIS 68 N -0.83 -0.47 -0.45 1.91 3.86 -0.69 -3.18 115.15 115.30 1x62 h HIS 68 Ca -0.06 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1x62 h HIS 68 Cb 0.70 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 1x62 h HIS 68 CO -0.18 -0.20 -0.27 0.00 0.86 0.00 0.00 177.93 178.14 1x62 n ALA 69 N -2.40 -0.29 -0.30 2.45 0.00 0.14 0.13 120.51 120.24 1x62 n ALA 69 Ca -0.10 0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.86 1x62 n ALA 69 Cb 0.26 0.09 0.31 0.00 0.00 0.00 0.00 19.45 20.11 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 0.23 0.00 0.00 3.08 -1.45 1.12 114.38 117.37 1x62 h ARG 70 Ca 0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1x62 h ARG 70 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1x62 h ARG 70 CO -0.42 0.15 -0.05 0.93 -1.07 0.00 0.00 179.97 179.51 1x62 h GLU 71 N 0.24 0.00 0.00 0.04 5.08 0.11 -3.05 114.58 117.00 1x62 h GLU 71 Ca 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 1x62 h GLU 71 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1x62 h GLU 71 CO -0.64 0.05 -0.05 0.00 -1.00 0.00 0.00 179.01 177.37 1x62 h ARG 72 N 0.00 0.00 -1.02 2.33 3.08 0.24 -3.30 114.38 115.70 1x62 h ARG 72 Ca -0.00 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.35 1x62 h ARG 72 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1x62 h ARG 72 CO 0.01 0.40 1.22 1.33 -1.07 0.00 0.00 179.97 181.86 1x62 n VAL 73 N -4.70 0.00 -0.19 2.04 0.24 -0.10 0.10 118.33 115.72 1x62 n VAL 73 Ca -0.05 1.25 0.00 0.00 -2.04 0.00 0.00 64.34 63.51 1x62 n VAL 73 Cb 0.21 -2.25 0.10 0.00 -1.47 0.00 0.00 33.84 30.42 1x62 n VAL 73 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1x62 h SER 74 N 0.00 -0.10 0.00 -1.34 0.87 -1.62 -3.45 113.55 107.91 1x62 h SER 74 Ca 0.48 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1x62 h SER 74 Cb 2.92 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 65.07 1x62 h SER 74 CO -0.01 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 1x62 n GLY 75 N -1.32 1.61 3.77 5.77 0.00 0.12 -5.16 105.19 109.98 1x62 n GLY 75 Ca 0.08 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1x62 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x62 s PRO 76 N -1.41 3.91 0.21 1.61 0.04 -1.26 -4.90 135.00 133.20 1x62 s PRO 76 Ca 0.00 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1x62 s PRO 76 Cb 0.00 -2.56 0.29 0.00 0.04 0.00 0.00 34.50 32.27 1x62 s PRO 76 CO 0.00 -0.44 1.68 0.77 0.04 0.00 0.00 177.00 179.05 1x62 h SER 77 N 2.37 -0.18 -5.36 6.66 0.02 -2.02 -3.46 113.55 111.59 1x62 h SER 77 Ca -0.49 0.14 -0.35 0.00 -0.84 0.00 0.00 61.79 60.25 1x62 h SER 77 Cb 1.24 0.23 0.13 0.00 0.14 0.00 0.00 62.40 64.14 1x62 h SER 77 CO 0.61 -0.07 -0.63 -0.24 -1.14 0.00 0.00 176.83 175.36 1x62 n SER 78 N -5.23 -5.22 0.00 3.07 2.88 -1.26 -5.32 113.62 102.54 1x62 n SER 78 Ca 0.09 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1x62 n SER 78 Cb 0.34 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.19 1x62 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42