#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 -0.10 -0.07 1.61 1.04 -1.26 -5.17 113.70 109.74 1x62 s SER 2 Ca 0.00 -0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 1x62 s SER 2 Cb 0.00 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1x62 s SER 2 CO 0.00 -0.41 0.32 -0.55 0.98 0.00 0.00 173.24 173.57 1x62 s SER 3 N -1.34 -0.27 0.00 7.02 0.15 -1.26 -5.14 113.70 112.86 1x62 s SER 3 Ca -0.14 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1x62 s SER 3 Cb -0.06 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1x62 s SER 3 CO 0.03 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x62 n GLY 4 N 2.19 0.28 3.76 9.45 0.00 -1.26 -4.96 105.19 114.64 1x62 n GLY 4 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1x62 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x62 n SER 5 N 0.00 -4.63 -4.21 1.61 2.88 -1.26 -4.99 113.62 103.02 1x62 n SER 5 Ca 0.00 -0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 56.62 1x62 n SER 5 Cb 0.00 -4.35 -0.13 0.00 -0.75 0.00 0.00 64.21 58.98 1x62 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x62 s SER 6 N -3.53 2.09 -0.28 -3.46 1.04 -1.26 -5.14 113.70 103.17 1x62 s SER 6 Ca 0.51 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 1x62 s SER 6 Cb -0.24 -0.13 0.09 0.00 0.10 0.00 0.00 66.02 65.84 1x62 s SER 6 CO 0.79 0.05 0.80 -0.83 0.98 0.00 0.00 173.24 175.04 1x62 s GLY 7 N -1.45 -0.43 0.29 7.32 0.00 -1.26 -5.16 107.32 106.64 1x62 s GLY 7 Ca 0.04 2.41 -0.26 0.00 0.00 0.00 0.00 44.72 46.91 1x62 s GLY 7 CO 0.02 2.06 0.91 -0.45 0.00 0.00 0.00 173.10 175.65 1x62 s SER 8 N 0.84 7.36 -0.14 1.64 0.15 -1.26 -4.98 113.70 117.31 1x62 s SER 8 Ca -0.03 1.80 0.03 0.00 0.70 0.00 0.00 55.95 58.45 1x62 s SER 8 Cb -0.05 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.59 1x62 s SER 8 CO -0.09 -0.01 -0.09 -0.38 1.20 0.00 0.00 173.24 173.88 1x62 n ILE 9 N 0.77 0.84 -1.45 6.45 5.41 -1.26 -5.12 119.36 125.00 1x62 n ILE 9 Ca 0.01 -0.37 0.17 0.00 1.00 0.00 0.00 62.75 63.56 1x62 n ILE 9 Cb 0.50 -0.95 -0.04 0.00 -0.71 0.00 0.00 39.64 38.44 1x62 n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x62 n GLY 10 N 2.67 -1.69 3.13 7.39 0.00 -1.26 -4.81 105.19 110.62 1x62 n GLY 10 Ca -0.25 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1x62 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x62 s ASN 11 N -6.55 2.95 -0.10 1.61 -0.87 -1.26 -5.11 114.94 105.60 1x62 s ASN 11 Ca 0.00 -0.57 -0.07 0.00 -1.57 0.00 0.00 52.86 50.66 1x62 s ASN 11 Cb 0.00 -1.36 0.03 0.00 -0.02 0.00 0.00 41.25 39.91 1x62 s ASN 11 CO 0.00 0.04 0.24 0.00 -2.57 0.00 0.00 177.10 174.81 1x62 s ALA 12 N 0.99 -0.57 -1.18 0.60 0.00 -1.26 -4.89 121.76 115.45 1x62 s ALA 12 Ca -0.04 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1x62 s ALA 12 Cb -0.15 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1x62 s ALA 12 CO -0.05 -0.15 1.03 0.94 0.00 0.00 0.00 175.76 177.53 1x62 n GLN 13 N 3.58 -6.90 -2.45 0.00 7.27 -1.26 -4.97 117.38 112.66 1x62 n GLN 13 Ca -0.19 0.74 -0.37 0.00 0.07 0.00 0.00 57.00 57.25 1x62 n GLN 13 Cb 0.56 -5.51 -0.03 0.00 2.41 0.00 0.00 30.24 27.67 1x62 n GLN 13 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1x62 s LYS 14 N -6.00 4.11 0.50 3.69 2.47 -1.26 -5.01 119.74 118.23 1x62 s LYS 14 Ca 0.43 1.63 -0.21 0.00 -1.56 0.00 0.00 55.97 56.26 1x62 s LYS 14 Cb -0.19 -2.58 -0.07 0.00 -1.46 0.00 0.00 37.83 33.53 1x62 s LYS 14 CO 0.65 -0.22 1.16 -0.51 0.16 0.00 0.00 175.35 176.59 1x62 s LEU 15 N -2.60 3.89 -0.46 5.43 1.43 -1.26 -4.93 118.68 120.17 1x62 s LEU 15 Ca 0.58 2.27 -0.28 0.00 -1.03 0.00 0.00 54.13 55.67 1x62 s LEU 15 Cb -0.25 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 1x62 s LEU 15 CO 0.32 -1.08 1.77 -2.16 0.23 0.00 0.00 176.35 175.43 1x62 s PRO 16 N -2.96 3.06 -0.12 1.29 0.04 -1.26 -4.60 135.00 130.45 1x62 s PRO 16 Ca 0.68 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1x62 s PRO 16 Cb -0.27 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 29.95 1x62 s PRO 16 CO 0.32 -2.20 1.95 -1.64 0.04 0.00 0.00 177.00 175.47 1x62 s MET 17 N 6.16 3.71 0.97 4.56 -1.94 -1.26 -2.23 119.30 129.27 1x62 s MET 17 Ca 0.72 2.15 -0.14 0.00 -1.71 0.00 0.00 55.69 56.71 1x62 s MET 17 Cb -0.17 -4.19 0.04 0.00 2.01 0.00 0.00 34.83 32.52 1x62 s MET 17 CO 0.28 -1.43 0.32 0.00 -0.01 0.00 0.00 175.02 174.18 1x62 n ASP 19 N -1.24 1.97 0.25 0.00 2.03 -1.07 -3.17 116.55 115.31 1x62 n ASP 19 Ca 0.06 0.16 -0.17 0.00 0.52 0.00 0.00 54.79 55.35 1x62 n ASP 19 Cb 0.55 -0.69 -0.09 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.52 -0.85 0.00 -0.67 3.64 -1.93 -3.38 116.57 112.87 1x62 h LYS 20 Ca -0.60 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1x62 h LYS 20 Cb 1.73 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1x62 h LYS 20 CO -0.23 -0.56 -0.49 0.00 -2.27 0.00 0.00 179.45 175.90 1x62 n GLY 22 N 1.56 0.67 3.53 0.00 0.00 -1.19 -5.01 105.19 104.75 1x62 n GLY 22 Ca -0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.56 -0.01 -0.31 2.61 -4.23 -1.26 -4.80 115.64 107.08 1x62 s THR 23 Ca 0.00 0.02 -0.43 0.00 -1.18 0.00 0.00 61.69 60.10 1x62 s THR 23 Cb 0.00 -0.88 -0.18 0.00 1.34 0.00 0.00 72.50 72.77 1x62 s THR 23 CO 0.00 0.01 1.54 0.61 -0.54 0.00 0.00 174.62 176.24 1x62 n GLY 24 N 3.93 0.35 3.88 3.99 0.00 -1.26 -2.77 105.19 113.30 1x62 n GLY 24 Ca -0.19 0.92 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 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 2.52 4.40 -0.08 -0.61 1.01 -0.95 -4.91 121.20 122.57 1x62 s ILE 25 Ca 0.99 0.73 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1x62 s ILE 25 Cb -1.29 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 37.44 1x62 s ILE 25 CO 0.70 -0.99 -0.06 0.54 0.00 0.00 0.00 174.94 175.13 1x62 s VAL 26 N -3.20 0.80 0.00 2.92 0.11 -1.26 -4.46 120.40 115.31 1x62 s VAL 26 Ca 0.55 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1x62 s VAL 26 Cb -0.11 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1x62 s VAL 26 CO 0.53 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 173.22 1x62 n GLY 27 N 4.59 1.09 3.65 6.54 0.00 -1.26 -4.82 105.19 114.98 1x62 n GLY 27 Ca -0.16 -0.77 -0.47 0.00 0.00 0.00 0.00 46.02 44.62 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 0.51 -3.50 1.61 3.14 -1.26 -4.97 118.33 113.86 1x62 n VAL 28 Ca 0.00 -0.13 -0.10 0.00 -2.96 0.00 0.00 64.34 61.15 1x62 n VAL 28 Cb 0.00 -1.33 -0.03 0.00 -1.06 0.00 0.00 33.84 31.42 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 0.31 -0.42 0.04 1.45 -0.12 -1.26 -4.63 117.98 113.35 1x62 s PHE 29 Ca 0.74 0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 1x62 s PHE 29 Cb -0.72 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1x62 s PHE 29 CO 0.46 -0.58 0.97 0.14 -0.05 0.00 0.00 175.22 176.16 1x62 s VAL 30 N -2.76 4.74 -0.38 -2.49 -7.23 0.16 -4.91 120.40 107.52 1x62 s VAL 30 Ca 0.02 2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 62.21 1x62 s VAL 30 Cb -0.01 -4.32 0.09 0.00 0.56 0.00 0.00 36.38 32.70 1x62 s VAL 30 CO -0.06 0.22 0.16 -0.75 -0.31 0.00 0.00 175.10 174.36 1x62 s LYS 31 N 0.64 2.16 0.73 4.82 2.36 -1.26 -0.36 119.74 128.83 1x62 s LYS 31 Ca 0.50 -1.65 -0.11 0.00 -2.55 0.00 0.00 55.97 52.16 1x62 s LYS 31 Cb -0.22 -3.51 0.04 0.00 -1.05 0.00 0.00 37.83 33.09 1x62 s LYS 31 CO 0.29 -0.95 1.10 -0.51 1.55 0.00 0.00 175.35 176.82 1x62 s LEU 32 N 1.20 2.79 0.00 5.43 1.43 0.49 -4.96 118.68 125.05 1x62 s LEU 32 Ca 0.05 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1x62 s LEU 32 Cb -0.22 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1x62 s LEU 32 CO -0.03 -1.53 0.50 0.54 0.23 0.00 0.00 176.35 176.06 1x62 n ARG 33 N -3.07 0.00 -0.03 1.70 3.00 -1.26 -2.79 116.66 114.21 1x62 n ARG 33 Ca 0.07 0.50 0.01 0.00 -0.01 0.00 0.00 57.85 58.42 1x62 n ARG 33 Cb 0.59 -0.80 0.03 0.00 0.00 0.00 0.00 32.46 32.28 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x62 n ASP 34 N -2.01 2.11 -4.27 0.55 8.00 -1.26 -5.04 116.55 114.64 1x62 n ASP 34 Ca 0.00 -1.92 -0.23 0.00 0.71 0.00 0.00 54.79 53.36 1x62 n ASP 34 Cb 0.00 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.93 1.75 0.05 -1.24 1.81 -1.12 -5.17 118.95 114.10 1x62 s ARG 35 Ca 0.05 -2.02 0.01 0.00 -1.72 0.00 0.00 55.73 52.05 1x62 s ARG 35 Cb 0.03 -0.64 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 1x62 s ARG 35 CO 0.03 -0.35 -0.06 -1.01 -0.68 0.00 0.00 175.30 173.24 1x62 s HIS 36 N -3.33 0.60 0.16 -0.53 3.76 -1.26 0.18 115.29 114.87 1x62 s HIS 36 Ca 0.31 -0.67 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 1x62 s HIS 36 Cb 0.06 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.37 1x62 s HIS 36 CO 0.15 -0.16 0.28 1.03 -0.85 0.00 0.00 174.74 175.19 1x62 s ARG 37 N -2.32 1.15 0.59 1.40 0.52 0.51 -2.60 118.95 118.20 1x62 s ARG 37 Ca -0.05 -1.16 -0.13 0.00 -0.52 0.00 0.00 55.73 53.87 1x62 s ARG 37 Cb -0.04 0.38 -0.05 0.00 0.52 0.00 0.00 34.95 35.75 1x62 s ARG 37 CO -0.02 -0.42 1.02 -1.01 0.02 0.00 0.00 175.30 174.89 1x62 s HIS 38 N -3.96 3.52 -0.99 -0.53 3.76 -1.26 0.39 115.29 116.21 1x62 s HIS 38 Ca 0.17 1.36 0.14 0.00 -0.15 0.00 0.00 55.06 56.58 1x62 s HIS 38 Cb 0.03 -2.76 0.61 0.00 1.11 0.00 0.00 32.58 31.57 1x62 s HIS 38 CO -0.00 -0.65 1.46 -0.35 -0.85 0.00 0.00 174.74 174.34 1x62 n PRO 39 N -2.42 0.00 -0.01 8.40 -0.04 -1.26 -1.74 135.00 137.93 1x62 n PRO 39 Ca 0.06 0.26 0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1x62 n PRO 39 Cb 0.54 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.52 0.88 0.04 0.54 0.28 -1.26 -4.59 120.64 115.01 1x62 n GLU 40 Ca 0.03 -0.05 -0.07 0.00 -0.16 0.00 0.00 57.16 56.91 1x62 n GLU 40 Cb 0.17 -1.18 -0.12 0.00 1.43 0.00 0.00 31.44 31.73 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x62 h TYR 42 N 0.00 0.00 -3.36 0.00 3.20 -1.59 -3.41 116.97 111.81 1x62 h TYR 42 Ca -0.09 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.23 1x62 h TYR 42 Cb 1.83 0.00 0.20 0.00 1.54 0.00 0.00 36.73 40.30 1x62 h TYR 42 CO 0.00 0.00 -0.39 1.33 -1.64 0.00 0.00 178.16 177.46 1x62 n VAL 43 N -2.92 1.26 -1.63 1.81 0.24 -1.25 -4.30 118.33 111.54 1x62 n VAL 43 Ca 0.08 -0.32 -0.44 0.00 -2.04 0.00 0.00 64.34 61.62 1x62 n VAL 43 Cb 1.03 -0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1x62 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x62 h THR 45 N 2.32 1.08 0.15 0.00 2.02 -1.87 -2.05 112.91 114.56 1x62 h THR 45 Ca -0.42 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 64.68 1x62 h THR 45 Cb 1.32 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1x62 h THR 45 CO 0.63 0.52 -0.07 -0.78 0.37 0.00 0.00 175.52 176.20 1x62 h ASP 46 N 0.00 -0.17 0.00 4.18 1.82 -1.90 -3.43 116.42 116.92 1x62 h ASP 46 Ca -0.01 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1x62 h ASP 46 Cb 1.18 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1x62 h ASP 46 CO 0.07 -0.02 -0.41 0.00 -1.61 0.00 0.00 179.24 177.27 1x62 n GLY 48 N 1.59 0.58 3.61 0.00 0.00 -0.77 -4.96 105.19 105.25 1x62 n GLY 48 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 4.02 -0.11 2.61 -1.32 -1.26 -4.65 115.64 114.91 1x62 s THR 49 Ca 0.00 -0.35 -0.31 0.00 -1.21 0.00 0.00 61.69 59.82 1x62 s THR 49 Cb 0.00 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 68.21 1x62 s THR 49 CO 0.00 0.58 2.04 0.59 -2.21 0.00 0.00 174.62 175.62 1x62 n ASN 50 N 2.46 3.50 -0.89 8.08 4.13 -1.26 -0.83 115.26 130.44 1x62 n ASN 50 Ca -0.18 0.68 0.08 0.00 1.68 0.00 0.00 54.58 56.84 1x62 n ASN 50 Cb 0.53 -1.46 0.23 0.00 -1.54 0.00 0.00 39.78 37.54 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x62 n LEU 51 N 8.66 2.60 -0.26 3.41 4.77 -1.26 -4.45 117.00 130.47 1x62 n LEU 51 Ca 0.26 -1.28 0.02 0.00 -0.03 0.00 0.00 56.01 54.97 1x62 n LEU 51 Cb 0.37 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1x62 n LEU 51 CO 0.70 0.64 0.72 0.50 -1.33 0.00 0.00 177.39 178.62 1x62 h LYS 52 N 2.89 0.00 0.00 3.23 3.64 -1.89 0.17 116.57 124.62 1x62 h LYS 52 Ca 0.00 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1x62 h LYS 52 Cb 0.66 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1x62 h LYS 52 CO 0.00 0.00 -1.63 1.04 -2.27 0.00 0.00 179.45 176.59 1x62 n GLN 53 N -5.49 0.55 -0.25 1.90 1.13 -1.26 -4.53 117.38 109.43 1x62 n GLN 53 Ca 0.10 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1x62 n GLN 53 Cb 0.39 -1.52 0.07 0.00 0.11 0.00 0.00 30.24 29.29 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1x62 h LYS 54 N -1.00 -0.02 0.00 -1.09 1.57 -1.77 -3.47 116.57 110.78 1x62 h LYS 54 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1x62 h LYS 54 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1x62 h LYS 54 CO -0.20 -0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.07 1x62 n GLY 55 N -1.48 2.98 3.52 3.86 0.00 0.60 -4.85 105.19 109.82 1x62 n GLY 55 Ca 0.09 -1.83 -0.31 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 -2.38 2.69 0.11 1.61 -3.43 -1.26 -4.20 115.29 108.43 1x62 s HIS 56 Ca 0.00 -0.17 0.07 0.00 -0.80 0.00 0.00 55.06 54.15 1x62 s HIS 56 Cb 0.00 -1.50 -0.04 0.00 -1.43 0.00 0.00 32.58 29.61 1x62 s HIS 56 CO 0.00 0.32 -0.08 -0.06 -2.00 0.00 0.00 174.74 172.92 1x62 s PHE 57 N -1.00 2.78 -0.38 0.38 0.40 -0.11 -4.88 117.98 115.17 1x62 s PHE 57 Ca 0.17 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.19 1x62 s PHE 57 Cb -0.11 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.99 1x62 s PHE 57 CO 0.07 0.44 0.43 -0.06 0.70 0.00 0.00 175.22 176.81 1x62 s PHE 58 N -1.27 3.18 -0.17 0.36 0.08 -1.26 -2.66 117.98 116.24 1x62 s PHE 58 Ca 0.22 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 1x62 s PHE 58 Cb -0.11 -2.84 0.07 0.00 -0.57 0.00 0.00 43.02 39.57 1x62 s PHE 58 CO 0.15 -0.59 0.15 0.08 -0.10 0.00 0.00 175.22 174.91 1x62 s VAL 59 N 2.17 -0.21 -1.34 -0.44 1.01 -0.79 -4.87 120.40 115.93 1x62 s VAL 59 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1x62 s VAL 59 Cb -0.16 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1x62 s VAL 59 CO 0.13 -0.19 1.11 -0.62 0.00 0.00 0.00 175.10 175.52 1x62 n GLU 60 N 5.30 -7.31 -2.58 2.72 1.02 -1.26 -1.59 120.64 116.95 1x62 n GLU 60 Ca -0.06 0.80 -0.19 0.00 -0.02 0.00 0.00 57.16 57.69 1x62 n GLU 60 Cb 0.49 -5.82 0.01 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.03 -5.46 -4.28 1.62 2.03 -1.26 -4.99 116.55 101.18 1x62 n ASP 61 Ca -0.07 -0.11 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 1x62 n ASP 61 Cb 0.59 -4.43 -0.10 0.00 -0.72 0.00 0.00 41.12 36.46 1x62 n ASP 61 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x62 s GLN 62 N -5.17 1.56 -0.03 -0.67 -0.21 -0.62 -5.14 119.66 109.38 1x62 s GLN 62 Ca 0.10 -1.87 0.07 0.00 0.02 0.00 0.00 55.36 53.68 1x62 s GLN 62 Cb -0.05 -0.44 -0.01 0.00 1.00 0.00 0.00 33.01 33.51 1x62 s GLN 62 CO 0.13 -0.31 -0.24 0.96 -2.12 0.00 0.00 175.29 173.72 1x62 s ILE 63 N -3.55 1.89 0.28 1.08 -4.36 -1.25 -1.89 121.20 113.40 1x62 s ILE 63 Ca 0.36 -1.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.69 1x62 s ILE 63 Cb 0.07 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 1x62 s ILE 63 CO 0.15 0.53 0.39 -0.31 0.24 0.00 0.00 174.94 175.94 1x62 s TYR 64 N -0.39 0.90 0.25 1.37 2.02 -1.09 -3.08 117.35 117.34 1x62 s TYR 64 Ca 0.04 -1.15 -0.09 0.00 -0.37 0.00 0.00 57.07 55.49 1x62 s TYR 64 Cb -0.11 -0.13 -0.07 0.00 -0.40 0.00 0.00 41.96 41.25 1x62 s TYR 64 CO 0.01 -0.97 0.57 0.00 -1.57 0.00 0.00 175.55 173.58 1x62 h GLU 66 N 2.35 0.12 0.21 0.00 4.81 -1.89 0.51 114.58 120.69 1x62 h GLU 66 Ca -0.47 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1x62 h GLU 66 Cb 1.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1x62 h GLU 66 CO 0.68 0.08 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.62 1x62 h LYS 67 N 0.13 -0.40 0.63 1.92 3.64 -1.96 -2.16 116.57 118.38 1x62 h LYS 67 Ca 0.70 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 60.08 1x62 h LYS 67 Cb 1.63 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1x62 h LYS 67 CO -0.74 -0.27 -0.30 0.45 -2.27 0.00 0.00 179.45 176.32 1x62 h HIS 68 N -0.41 -0.79 -0.60 1.91 3.86 -1.60 -3.21 115.15 114.31 1x62 h HIS 68 Ca -0.03 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1x62 h HIS 68 Cb 0.36 0.26 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 1x62 h HIS 68 CO -0.13 -0.46 -0.35 0.00 0.86 0.00 0.00 177.93 177.84 1x62 n ALA 69 N -2.51 -0.38 -0.31 2.45 0.00 0.17 0.14 120.51 120.06 1x62 n ALA 69 Ca -0.13 0.51 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1x62 n ALA 69 Cb 0.36 -0.04 0.20 0.00 0.00 0.00 0.00 19.45 19.97 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 0.05 -0.71 0.00 3.08 -1.39 0.89 114.38 116.30 1x62 h ARG 70 Ca 0.10 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1x62 h ARG 70 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1x62 h ARG 70 CO -0.56 0.03 0.42 0.93 -1.07 0.00 0.00 179.97 179.71 1x62 h GLU 71 N 0.05 0.97 0.35 0.04 5.08 0.12 0.57 114.58 121.76 1x62 h GLU 71 Ca 0.49 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1x62 h GLU 71 Cb 0.92 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1x62 h GLU 71 CO -0.82 0.69 -0.17 0.00 -1.00 0.00 0.00 179.01 177.71 1x62 h ARG 72 N 0.98 -0.46 -0.16 2.33 3.08 0.17 -1.23 114.38 119.09 1x62 h ARG 72 Ca 0.26 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1x62 h ARG 72 Cb -0.02 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1x62 h ARG 72 CO -0.05 -0.14 0.12 -0.24 -1.07 0.00 0.00 179.97 178.59 1x62 h VAL 73 N -0.95 0.89 -0.06 2.04 3.04 -0.68 -2.00 116.25 118.53 1x62 h VAL 73 Ca -0.05 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.47 1x62 h VAL 73 Cb 0.53 0.92 0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1x62 h VAL 73 CO 0.08 0.00 -0.64 -1.28 -1.01 0.00 0.00 177.57 174.72 1x62 h SER 74 N 0.00 0.67 0.00 3.17 0.87 -0.85 -3.46 113.55 113.95 1x62 h SER 74 Ca 0.08 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1x62 h SER 74 Cb 0.32 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1x62 h SER 74 CO -0.00 1.26 0.00 0.61 -0.53 0.00 0.00 176.83 178.17 1x62 n GLY 75 N 0.88 -3.14 3.74 5.77 0.00 -0.47 -4.89 105.19 107.08 1x62 n GLY 75 Ca -0.09 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 4.39 -0.08 1.61 0.04 -1.26 -5.02 135.00 134.68 1x62 s PRO 76 Ca 0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 1x62 s PRO 76 Cb 0.00 -3.20 0.10 0.00 0.04 0.00 0.00 34.50 31.45 1x62 s PRO 76 CO 0.00 -0.25 0.88 0.45 0.04 0.00 0.00 177.00 178.12 1x62 s SER 77 N 0.34 -0.45 0.18 6.66 0.15 -1.26 -4.97 113.70 114.35 1x62 s SER 77 Ca 0.57 0.37 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 1x62 s SER 77 Cb -0.36 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 1x62 s SER 77 CO 0.38 -0.50 0.46 -0.44 1.20 0.00 0.00 173.24 174.34 1x62 s SER 78 N -1.53 -0.20 0.00 5.45 0.01 -1.26 -5.19 113.70 110.97 1x62 s SER 78 Ca -0.02 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x62 s SER 78 Cb -0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1x62 s SER 78 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.27