#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 0.36 -0.01 1.61 0.15 -1.26 -5.17 113.70 109.39 1x62 s SER 2 Ca 0.00 -0.81 -0.16 0.00 0.70 0.00 0.00 55.95 55.68 1x62 s SER 2 Cb 0.00 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1x62 s SER 2 CO 0.00 -0.55 0.35 -0.94 1.20 0.00 0.00 173.24 173.30 1x62 s SER 3 N -2.54 -0.23 0.00 5.45 1.04 -1.26 -5.18 113.70 110.99 1x62 s SER 3 Ca 0.01 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1x62 s SER 3 Cb 0.03 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x62 s SER 3 CO -0.08 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1x62 n GLY 4 N 1.13 4.60 3.46 7.32 0.00 -1.26 -5.17 105.19 115.27 1x62 n GLY 4 Ca -0.21 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1x62 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x62 s SER 5 N 0.12 -0.90 0.63 1.61 0.01 -1.26 -5.17 113.70 108.74 1x62 s SER 5 Ca 0.00 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.56 1x62 s SER 5 Cb 0.00 2.01 0.08 0.00 0.21 0.00 0.00 66.02 68.32 1x62 s SER 5 CO 0.00 -0.23 0.87 -0.55 0.41 0.00 0.00 173.24 173.74 1x62 s SER 6 N 2.81 4.82 0.00 2.44 0.15 -1.26 -5.10 113.70 117.56 1x62 s SER 6 Ca -0.01 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1x62 s SER 6 Cb -0.13 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1x62 s SER 6 CO -0.18 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.38 1x62 n GLY 7 N -2.54 0.07 3.02 9.45 0.00 -1.26 -5.16 105.19 108.77 1x62 n GLY 7 Ca 0.12 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 1.03 -0.14 1.61 0.15 -1.26 -5.14 113.70 109.95 1x62 s SER 8 Ca 0.00 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1x62 s SER 8 Cb 0.00 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 1x62 s SER 8 CO 0.00 0.10 0.02 -0.63 1.20 0.00 0.00 173.24 173.93 1x62 s ILE 9 N -0.25 4.43 0.02 6.45 1.01 -1.26 -4.99 121.20 126.61 1x62 s ILE 9 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1x62 s ILE 9 Cb -0.04 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1x62 s ILE 9 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1x62 n GLY 10 N 3.04 -0.01 3.42 6.18 0.00 -1.26 -5.08 105.19 111.49 1x62 n GLY 10 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.23 0.05 -0.22 1.61 4.22 -1.26 -5.01 114.94 109.11 1x62 s ASN 11 Ca 0.00 1.07 -0.07 0.00 -2.14 0.00 0.00 52.86 51.72 1x62 s ASN 11 Cb 0.00 -1.60 -0.03 0.00 1.28 0.00 0.00 41.25 40.90 1x62 s ASN 11 CO 0.00 -4.71 0.04 0.00 -2.04 0.00 0.00 177.10 170.39 1x62 s ALA 12 N -2.46 3.17 0.14 3.54 0.00 -1.26 -5.07 121.76 119.81 1x62 s ALA 12 Ca 0.69 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 1x62 s ALA 12 Cb -0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1x62 s ALA 12 CO 0.60 -0.21 1.54 1.14 0.00 0.00 0.00 175.76 178.83 1x62 s GLN 13 N 1.10 4.24 -0.15 0.00 0.00 -1.26 -4.90 119.66 118.68 1x62 s GLN 13 Ca 0.04 2.28 0.16 0.00 -0.00 0.00 0.00 55.36 57.83 1x62 s GLN 13 Cb -0.14 -3.25 0.55 0.00 0.00 0.00 0.00 33.01 30.17 1x62 s GLN 13 CO 0.03 -0.59 1.46 1.63 0.00 0.00 0.00 175.29 177.82 1x62 n LYS 14 N 4.23 3.26 -3.82 9.60 5.02 -1.26 -4.96 118.16 130.23 1x62 n LYS 14 Ca 0.14 -2.77 -0.12 0.00 -2.02 0.00 0.00 58.31 53.53 1x62 n LYS 14 Cb 0.40 -1.82 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x62 s LEU 15 N -2.45 1.35 -0.76 -0.35 1.43 -1.26 -5.10 118.68 111.54 1x62 s LEU 15 Ca 0.42 0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 53.53 1x62 s LEU 15 Cb 0.32 0.63 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 1x62 s LEU 15 CO 0.12 -0.11 1.90 -2.16 0.23 0.00 0.00 176.35 176.33 1x62 s PRO 16 N -0.15 2.59 0.21 1.29 0.04 -1.26 -4.59 135.00 133.13 1x62 s PRO 16 Ca -0.02 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.86 1x62 s PRO 16 Cb -0.02 -4.72 -0.12 0.00 0.04 0.00 0.00 34.50 29.68 1x62 s PRO 16 CO 0.00 -3.06 1.70 0.00 0.04 0.00 0.00 177.00 175.69 1x62 s MET 17 N 7.03 4.13 0.84 4.56 0.23 -1.26 -2.85 119.30 131.98 1x62 s MET 17 Ca 0.69 2.59 -0.14 0.00 -1.03 0.00 0.00 55.69 57.79 1x62 s MET 17 Cb -0.10 -3.08 0.00 0.00 -1.53 0.00 0.00 34.83 30.13 1x62 s MET 17 CO 0.10 -0.74 0.48 0.00 -2.03 0.00 0.00 175.02 172.83 1x62 n ASP 19 N -0.86 1.98 0.19 0.00 -0.08 -1.09 -3.07 116.55 113.62 1x62 n ASP 19 Ca 0.08 0.15 -0.11 0.00 -1.51 0.00 0.00 54.79 53.41 1x62 n ASP 19 Cb 0.52 -0.70 -0.06 0.00 2.34 0.00 0.00 41.12 43.23 1x62 n ASP 19 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1x62 h LYS 20 N -0.44 -0.59 0.00 -0.67 3.64 -1.90 -3.36 116.57 113.25 1x62 h LYS 20 Ca -0.56 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1x62 h LYS 20 Cb 1.75 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1x62 h LYS 20 CO -0.18 -0.39 -0.22 0.00 -2.27 0.00 0.00 179.45 176.38 1x62 n GLY 22 N 1.69 0.71 3.27 0.00 0.00 -1.18 -5.05 105.19 104.63 1x62 n GLY 22 Ca -0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.17 -0.00 -0.23 2.61 -4.23 -1.25 -4.84 115.64 106.53 1x62 s THR 23 Ca 0.00 0.00 -0.38 0.00 -1.18 0.00 0.00 61.69 60.13 1x62 s THR 23 Cb 0.00 -0.53 -0.14 0.00 1.34 0.00 0.00 72.50 73.17 1x62 s THR 23 CO 0.00 0.00 1.83 0.61 -0.54 0.00 0.00 174.62 176.52 1x62 n GLY 24 N 2.88 1.02 3.77 3.99 0.00 -1.26 -0.66 105.19 114.93 1x62 n GLY 24 Ca -0.13 0.91 -0.38 0.00 0.00 0.00 0.00 46.02 46.42 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 4.08 3.81 -0.07 -0.61 1.01 -1.13 -4.87 121.20 123.42 1x62 s ILE 25 Ca 0.98 1.60 -0.02 0.00 0.00 0.00 0.00 60.65 63.21 1x62 s ILE 25 Cb -0.93 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 37.63 1x62 s ILE 25 CO 0.60 0.22 0.02 0.54 0.00 0.00 0.00 174.94 176.32 1x62 s VAL 26 N -1.42 0.22 0.00 2.92 0.11 -1.26 -4.47 120.40 116.49 1x62 s VAL 26 Ca 0.49 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1x62 s VAL 26 Cb -0.25 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1x62 s VAL 26 CO 0.32 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 1x62 n GLY 27 N 5.20 0.87 3.77 6.54 0.00 -1.26 -4.94 105.19 115.36 1x62 n GLY 27 Ca -0.06 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 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 3.40 0.09 1.61 0.11 -1.26 -5.03 120.40 119.32 1x62 s VAL 28 Ca 0.00 1.27 -0.27 0.00 -2.93 0.00 0.00 61.98 60.06 1x62 s VAL 28 Cb 0.00 -3.76 0.08 0.00 -1.53 0.00 0.00 36.38 31.17 1x62 s VAL 28 CO 0.00 0.21 1.01 0.72 -3.33 0.00 0.00 175.10 173.70 1x62 s PHE 29 N -1.33 -0.15 -0.42 1.54 -0.12 -1.26 -4.53 117.98 111.71 1x62 s PHE 29 Ca 0.51 -0.09 -0.09 0.00 -0.05 0.00 0.00 56.93 57.21 1x62 s PHE 29 Cb -0.30 0.60 0.08 0.00 -0.63 0.00 0.00 43.02 42.77 1x62 s PHE 29 CO 0.39 -0.68 0.25 0.08 -0.05 0.00 0.00 175.22 175.21 1x62 s VAL 30 N -3.10 4.21 -0.38 -2.49 1.01 -0.75 -4.86 120.40 114.03 1x62 s VAL 30 Ca 0.11 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1x62 s VAL 30 Cb -0.00 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1x62 s VAL 30 CO -0.01 -0.50 1.27 -0.75 0.00 0.00 0.00 175.10 175.12 1x62 s LYS 31 N 1.42 3.78 0.71 2.72 2.36 -1.26 -2.21 119.74 127.26 1x62 s LYS 31 Ca 0.03 0.97 -0.10 0.00 -2.55 0.00 0.00 55.97 54.32 1x62 s LYS 31 Cb -0.23 -3.92 0.04 0.00 -1.05 0.00 0.00 37.83 32.67 1x62 s LYS 31 CO 0.02 -1.30 1.07 -0.51 1.55 0.00 0.00 175.35 176.18 1x62 s LEU 32 N 4.66 2.84 0.00 5.43 1.43 0.22 -4.97 118.68 128.28 1x62 s LEU 32 Ca 0.55 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1x62 s LEU 32 Cb -0.13 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1x62 s LEU 32 CO 0.27 -1.48 0.52 -1.14 0.23 0.00 0.00 176.35 174.75 1x62 n ARG 33 N -3.01 0.00 0.00 1.70 0.00 -1.26 -3.11 116.66 110.99 1x62 n ARG 33 Ca 0.07 0.52 0.01 0.00 -0.00 0.00 0.00 57.85 58.45 1x62 n ARG 33 Cb 0.59 -0.82 0.01 0.00 0.00 0.00 0.00 32.46 32.23 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1x62 n ASP 34 N -2.12 1.07 -4.75 6.15 5.75 -1.26 -5.04 116.55 116.34 1x62 n ASP 34 Ca 0.00 -1.03 -0.30 0.00 -0.01 0.00 0.00 54.79 53.45 1x62 n ASP 34 Cb 0.00 0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.33 2.16 -0.00 0.11 1.81 -1.18 -5.16 118.95 116.37 1x62 s ARG 35 Ca 0.03 -2.22 0.00 0.00 -1.72 0.00 0.00 55.73 51.81 1x62 s ARG 35 Cb 0.02 -1.69 -0.00 0.00 -0.45 0.00 0.00 34.95 32.83 1x62 s ARG 35 CO 0.04 -0.31 -0.00 -1.01 -0.68 0.00 0.00 175.30 173.33 1x62 s HIS 36 N -2.80 0.04 0.24 -0.53 3.76 -1.26 0.71 115.29 115.45 1x62 s HIS 36 Ca 0.20 -0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1x62 s HIS 36 Cb 0.03 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.66 1x62 s HIS 36 CO 0.11 -0.00 0.21 1.03 -0.85 0.00 0.00 174.74 175.23 1x62 s ARG 37 N -0.00 1.37 0.64 1.40 0.52 -0.94 -2.68 118.95 119.25 1x62 s ARG 37 Ca 0.00 -1.68 -0.09 0.00 -0.52 0.00 0.00 55.73 53.44 1x62 s ARG 37 Cb -0.00 0.31 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 1x62 s ARG 37 CO -0.00 -0.48 1.00 -1.01 0.02 0.00 0.00 175.30 174.83 1x62 s HIS 38 N -3.96 3.40 -0.85 -0.53 3.76 -1.26 -1.82 115.29 114.03 1x62 s HIS 38 Ca 0.38 0.97 0.17 0.00 -0.15 0.00 0.00 55.06 56.43 1x62 s HIS 38 Cb 0.05 -2.83 0.71 0.00 1.11 0.00 0.00 32.58 31.62 1x62 s HIS 38 CO 0.15 -0.89 1.53 -0.35 -0.85 0.00 0.00 174.74 174.33 1x62 n PRO 39 N -2.77 0.05 -0.03 8.40 -0.04 -1.26 -2.06 135.00 137.30 1x62 n PRO 39 Ca 0.05 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1x62 n PRO 39 Cb 0.56 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.71 1.92 0.00 0.54 0.28 -1.26 -4.49 120.64 115.92 1x62 n GLU 40 Ca 0.03 -0.03 0.14 0.00 -0.16 0.00 0.00 57.16 57.15 1x62 n GLU 40 Cb 0.18 -1.21 0.62 0.00 1.43 0.00 0.00 31.44 32.47 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 -0.73 0.00 -1.74 0.00 9.36 -0.87 -4.81 117.16 118.37 1x62 n TYR 42 Ca 0.16 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.08 1x62 n TYR 42 Cb 0.27 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.02 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 4.03 0.68 2.97 -7.23 -1.24 -4.12 120.40 113.49 1x62 s VAL 43 Ca 0.04 0.66 -0.17 0.00 -1.81 0.00 0.00 61.98 60.71 1x62 s VAL 43 Cb 0.02 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1x62 s VAL 43 CO 0.03 -0.86 0.67 0.00 -0.31 0.00 0.00 175.10 174.63 1x62 h THR 45 N -0.14 0.99 0.28 0.00 2.02 -1.84 -3.01 112.91 111.21 1x62 h THR 45 Ca -0.46 -2.70 -0.01 0.00 0.77 0.00 0.00 66.41 64.00 1x62 h THR 45 Cb 1.36 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1x62 h THR 45 CO 0.45 0.75 -0.13 -0.78 0.37 0.00 0.00 175.52 176.18 1x62 h ASP 46 N 0.05 -0.32 0.00 4.18 3.58 -1.92 -3.42 116.42 118.57 1x62 h ASP 46 Ca -0.28 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1x62 h ASP 46 Cb 2.01 0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.14 1x62 h ASP 46 CO 0.12 -0.14 -0.39 0.00 -2.88 0.00 0.00 179.24 175.95 1x62 n GLY 48 N 1.62 0.84 3.87 0.00 0.00 -1.13 -4.96 105.19 105.42 1x62 n GLY 48 Ca -0.05 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.49 -0.05 2.61 -1.32 -1.26 -4.66 115.64 115.45 1x62 s THR 49 Ca 0.00 -1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 1x62 s THR 49 Cb 0.00 -3.48 -0.05 0.00 -1.51 0.00 0.00 72.50 67.46 1x62 s THR 49 CO 0.00 -0.31 1.51 0.21 -2.21 0.00 0.00 174.62 173.81 1x62 s ASN 50 N -3.91 6.77 -0.00 8.08 3.04 -1.26 -1.60 114.94 126.06 1x62 s ASN 50 Ca 0.35 2.12 0.14 0.00 0.04 0.00 0.00 52.86 55.51 1x62 s ASN 50 Cb -0.08 -2.54 0.42 0.00 -1.54 0.00 0.00 41.25 37.50 1x62 s ASN 50 CO 0.26 -0.83 1.35 0.18 -3.04 0.00 0.00 177.10 175.02 1x62 n LEU 51 N 6.41 3.26 -0.22 3.21 4.77 -1.26 -4.55 117.00 128.62 1x62 n LEU 51 Ca 0.15 -2.00 -0.01 0.00 -0.03 0.00 0.00 56.01 54.12 1x62 n LEU 51 Cb 0.43 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1x62 n LEU 51 CO 0.60 0.81 0.70 0.50 -1.33 0.00 0.00 177.39 178.68 1x62 h LYS 52 N 2.75 -0.05 0.00 3.23 3.64 -1.90 0.56 116.57 124.81 1x62 h LYS 52 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1x62 h LYS 52 Cb 0.82 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1x62 h LYS 52 CO 0.00 -0.03 -1.39 1.04 -2.27 0.00 0.00 179.45 176.80 1x62 n GLN 53 N -5.45 0.54 -0.29 1.90 6.02 -1.26 -4.53 117.38 114.32 1x62 n GLN 53 Ca 0.07 0.29 0.06 0.00 -0.01 0.00 0.00 57.00 57.41 1x62 n GLN 53 Cb 0.35 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.00 0.04 0.00 -1.09 1.57 -1.80 -3.47 116.57 110.81 1x62 h LYS 54 Ca -0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1x62 h LYS 54 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1x62 h LYS 54 CO -0.13 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 1x62 n GLY 55 N -1.49 2.31 3.61 3.86 0.00 0.19 -4.95 105.19 108.71 1x62 n GLY 55 Ca 0.15 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.76 2.62 0.29 1.61 -3.43 -1.26 -4.42 115.29 107.95 1x62 s HIS 56 Ca 0.00 -0.24 0.11 0.00 -0.80 0.00 0.00 55.06 54.13 1x62 s HIS 56 Cb 0.00 -1.18 -0.05 0.00 -1.43 0.00 0.00 32.58 29.92 1x62 s HIS 56 CO 0.00 0.62 -0.15 -0.06 -2.00 0.00 0.00 174.74 173.15 1x62 s PHE 57 N -2.25 2.37 -0.33 0.38 0.40 -0.90 -4.94 117.98 112.71 1x62 s PHE 57 Ca 0.30 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.17 1x62 s PHE 57 Cb -0.07 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 1x62 s PHE 57 CO 0.18 0.67 0.19 -0.06 0.70 0.00 0.00 175.22 176.90 1x62 s PHE 58 N -2.51 3.20 -0.12 0.36 0.08 -1.26 -3.28 117.98 114.45 1x62 s PHE 58 Ca 0.31 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 1x62 s PHE 58 Cb -0.04 -2.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.07 1x62 s PHE 58 CO 0.16 -0.47 0.15 0.08 -0.10 0.00 0.00 175.22 175.04 1x62 s VAL 59 N 1.63 -0.23 -1.42 -0.44 1.01 -0.86 -4.87 120.40 115.22 1x62 s VAL 59 Ca 0.05 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1x62 s VAL 59 Cb -0.18 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1x62 s VAL 59 CO 0.07 -0.01 1.01 -0.62 0.00 0.00 0.00 175.10 175.55 1x62 n GLU 60 N 5.31 -6.28 -2.59 2.72 -0.58 -1.26 -1.03 120.64 116.93 1x62 n GLU 60 Ca -0.05 0.69 -0.20 0.00 -0.42 0.00 0.00 57.16 57.18 1x62 n GLU 60 Cb 0.50 -5.59 0.01 0.00 -0.57 0.00 0.00 31.44 25.78 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 -2.95 -5.63 -3.91 1.62 2.03 -1.26 -4.98 116.55 101.48 1x62 n ASP 61 Ca -0.05 -0.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.93 1x62 n ASP 61 Cb 0.57 -4.59 -0.08 0.00 -0.72 0.00 0.00 41.12 36.30 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 -5.20 1.82 -0.02 -0.67 -0.21 -0.20 -5.16 119.66 110.02 1x62 s GLN 62 Ca 0.11 -2.09 0.05 0.00 0.02 0.00 0.00 55.36 53.45 1x62 s GLN 62 Cb -0.05 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 1x62 s GLN 62 CO 0.13 -0.52 -0.17 0.96 -2.12 0.00 0.00 175.29 173.58 1x62 s ILE 63 N -3.35 1.32 0.29 1.08 -4.36 -1.26 -2.02 121.20 112.90 1x62 s ILE 63 Ca 0.30 -0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 59.91 1x62 s ILE 63 Cb 0.03 -1.10 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 1x62 s ILE 63 CO 0.18 0.37 0.45 -0.31 0.24 0.00 0.00 174.94 175.88 1x62 s TYR 64 N -0.31 0.70 0.04 1.37 2.02 -1.21 -2.40 117.35 117.57 1x62 s TYR 64 Ca 0.05 -1.02 -0.17 0.00 -0.37 0.00 0.00 57.07 55.56 1x62 s TYR 64 Cb -0.07 0.04 -0.06 0.00 -0.40 0.00 0.00 41.96 41.46 1x62 s TYR 64 CO -0.00 -1.04 0.49 0.00 -1.57 0.00 0.00 175.55 173.43 1x62 n GLU 66 N 1.76 -0.04 -0.08 0.00 2.13 -1.26 0.22 120.64 123.37 1x62 n GLU 66 Ca -0.12 0.96 -0.07 0.00 0.66 0.00 0.00 57.16 58.59 1x62 n GLU 66 Cb 0.52 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 0.16 0.01 5.31 3.64 -1.97 -1.08 116.57 122.64 1x62 h LYS 67 Ca 0.60 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.83 1x62 h LYS 67 Cb 1.60 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 1x62 h LYS 67 CO -0.52 0.11 -0.73 0.45 -2.27 0.00 0.00 179.45 176.48 1x62 h HIS 68 N 0.16 0.05 -0.86 1.91 3.86 0.22 -3.32 115.15 117.18 1x62 h HIS 68 Ca 0.14 -0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.53 1x62 h HIS 68 Cb 0.15 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.47 1x62 h HIS 68 CO -0.18 1.29 0.06 0.00 0.86 0.00 0.00 177.93 179.96 1x62 h ALA 69 N -0.23 1.02 -0.54 2.45 0.00 -0.18 0.82 119.26 122.60 1x62 h ALA 69 Ca -0.19 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1x62 h ALA 69 Cb 1.22 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1x62 h ALA 69 CO -0.09 -0.48 0.29 0.07 0.00 0.00 0.00 179.25 179.04 1x62 h ARG 70 N 0.10 0.74 -0.01 0.00 0.11 -1.35 -0.25 114.38 113.72 1x62 h ARG 70 Ca 0.50 -0.07 -0.17 0.00 0.10 0.00 0.00 59.98 60.34 1x62 h ARG 70 Cb 0.97 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.88 1x62 h ARG 70 CO -0.75 0.55 -0.79 0.93 0.10 0.00 0.00 179.97 180.01 1x62 h GLU 71 N 0.75 0.11 0.30 0.08 5.08 0.40 -3.07 114.58 118.22 1x62 h GLU 71 Ca 0.19 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1x62 h GLU 71 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1x62 h GLU 71 CO -0.03 0.84 -0.14 0.00 -1.00 0.00 0.00 179.01 178.68 1x62 h ARG 72 N 0.07 -0.38 -1.03 2.33 3.08 0.12 -3.24 114.38 115.33 1x62 h ARG 72 Ca -0.02 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.32 1x62 h ARG 72 Cb 1.38 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.44 1x62 h ARG 72 CO 0.11 -0.11 0.69 -0.24 -1.07 0.00 0.00 179.97 179.35 1x62 h VAL 73 N -1.02 0.53 -6.54 2.04 3.04 -1.18 -3.45 116.25 109.67 1x62 h VAL 73 Ca -0.04 -0.10 -0.52 0.00 -1.01 0.00 0.00 66.70 65.03 1x62 h VAL 73 Cb 0.45 0.20 -0.12 0.00 -2.01 0.00 0.00 31.29 29.80 1x62 h VAL 73 CO 0.07 0.06 -0.80 -1.20 -1.01 0.00 0.00 177.57 174.68 1x62 n SER 74 N -4.51 -3.77 -2.73 3.17 7.64 -1.16 -4.95 113.62 107.31 1x62 n SER 74 Ca 0.24 -0.91 -0.09 0.00 1.01 0.00 0.00 58.87 59.12 1x62 n SER 74 Cb 0.92 -3.27 0.05 0.00 -1.01 0.00 0.00 64.21 60.90 1x62 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x62 n GLY 75 N -1.55 -0.31 3.67 0.23 0.00 -1.26 -5.00 105.19 100.96 1x62 n GLY 75 Ca 0.04 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.63 4.21 0.12 1.61 0.04 -1.26 -5.00 135.00 131.09 1x62 s PRO 76 Ca 0.23 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 1x62 s PRO 76 Cb -0.01 -3.85 -0.01 0.00 0.04 0.00 0.00 34.50 30.68 1x62 s PRO 76 CO 0.16 -0.76 0.22 -1.54 0.04 0.00 0.00 177.00 175.12 1x62 s SER 77 N 2.70 0.10 -0.00 6.66 1.04 -1.26 -5.07 113.70 117.87 1x62 s SER 77 Ca 0.67 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 56.14 1x62 s SER 77 Cb -0.30 0.37 -0.25 0.00 0.10 0.00 0.00 66.02 65.94 1x62 s SER 77 CO 0.25 -0.79 1.06 0.28 0.98 0.00 0.00 173.24 175.02 1x62 h SER 78 N 2.68 0.55 0.00 7.02 0.02 -2.06 -3.56 113.55 118.20 1x62 h SER 78 Ca -0.33 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 59.81 1x62 h SER 78 Cb 1.21 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1x62 h SER 78 CO 0.53 1.29 0.00 0.61 -1.14 0.00 0.00 176.83 178.12