#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 0.82 0.76 1.61 1.04 -1.26 -5.16 113.70 111.52 1x62 s SER 2 Ca 0.00 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.41 1x62 s SER 2 Cb 0.00 -0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.06 1x62 s SER 2 CO 0.00 -0.18 1.05 -0.55 0.98 0.00 0.00 173.24 174.54 1x62 s SER 3 N 1.66 4.21 -0.25 7.02 0.15 -1.26 -5.05 113.70 120.17 1x62 s SER 3 Ca -0.01 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.65 1x62 s SER 3 Cb -0.13 -0.30 0.30 0.00 -1.71 0.00 0.00 66.02 64.18 1x62 s SER 3 CO -0.03 -1.97 1.26 0.61 1.20 0.00 0.00 173.24 174.31 1x62 n GLY 4 N -3.02 1.17 3.83 9.45 0.00 -1.26 -5.13 105.19 110.23 1x62 n GLY 4 Ca 0.13 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.82 6.37 0.11 1.61 1.04 -1.26 -5.09 113.70 115.66 1x62 s SER 5 Ca 0.07 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.81 1x62 s SER 5 Cb 0.32 -2.09 0.02 0.00 0.10 0.00 0.00 66.02 64.37 1x62 s SER 5 CO -0.09 0.33 0.30 -0.55 0.98 0.00 0.00 173.24 174.21 1x62 s SER 6 N -0.59 -0.06 0.00 7.02 0.15 -1.26 -5.13 113.70 113.82 1x62 s SER 6 Ca 0.14 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1x62 s SER 6 Cb -0.12 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1x62 s SER 6 CO 0.03 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1x62 n GLY 7 N -0.15 -0.28 3.22 9.45 0.00 -1.26 -5.10 105.19 111.06 1x62 n GLY 7 Ca -0.15 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1x62 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x62 s SER 8 N -0.79 -0.40 0.01 1.61 0.01 -1.26 -5.16 113.70 107.72 1x62 s SER 8 Ca 0.00 0.74 0.01 0.00 1.31 0.00 0.00 55.95 58.01 1x62 s SER 8 Cb 0.00 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 1x62 s SER 8 CO 0.00 -0.15 0.02 -0.51 0.41 0.00 0.00 173.24 173.00 1x62 s ILE 9 N 0.76 4.25 -0.10 1.44 2.07 -1.26 -5.10 121.20 123.26 1x62 s ILE 9 Ca -0.05 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.41 1x62 s ILE 9 Cb -0.06 -2.92 -0.04 0.00 0.13 0.00 0.00 42.46 39.57 1x62 s ILE 9 CO -0.05 0.34 0.45 -0.83 -1.91 0.00 0.00 174.94 172.95 1x62 s GLY 10 N -1.67 2.39 -0.14 1.50 0.00 -1.26 -5.07 107.32 103.08 1x62 s GLY 10 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.71 1x62 s GLY 10 CO 0.12 0.66 -0.12 -1.31 0.00 0.00 0.00 173.10 172.45 1x62 s ASN 11 N 0.38 4.05 -0.24 1.64 0.01 -1.26 -5.07 114.94 114.44 1x62 s ASN 11 Ca 0.25 -0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 51.79 1x62 s ASN 11 Cb -0.15 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.85 1x62 s ASN 11 CO 0.10 0.15 1.86 0.00 -1.51 0.00 0.00 177.10 177.70 1x62 s ALA 12 N 0.43 3.01 -0.16 0.60 0.00 -1.26 -4.97 121.76 119.41 1x62 s ALA 12 Ca -0.09 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1x62 s ALA 12 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 1x62 s ALA 12 CO 0.05 -2.38 0.50 1.14 0.00 0.00 0.00 175.76 175.07 1x62 s GLN 13 N 5.43 4.25 -0.14 0.00 0.00 -1.26 -4.94 119.66 123.00 1x62 s GLN 13 Ca 0.83 0.43 0.15 0.00 -0.00 0.00 0.00 55.36 56.78 1x62 s GLN 13 Cb -0.27 -3.51 0.49 0.00 0.00 0.00 0.00 33.01 29.71 1x62 s GLN 13 CO 0.33 -0.02 1.39 0.36 0.00 0.00 0.00 175.29 177.35 1x62 n LYS 14 N 4.32 2.92 -4.06 9.60 2.85 -1.26 -4.98 118.16 127.55 1x62 n LYS 14 Ca -0.06 -2.69 -0.13 0.00 -1.05 0.00 0.00 58.31 54.38 1x62 n LYS 14 Cb 0.51 -1.73 -0.13 0.00 -0.65 0.00 0.00 35.03 33.03 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1x62 s LEU 15 N -2.47 2.12 -0.58 -5.58 1.43 -1.26 -5.10 118.68 107.24 1x62 s LEU 15 Ca 0.38 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 1x62 s LEU 15 Cb 0.30 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 1x62 s LEU 15 CO 0.10 -0.09 1.84 -2.16 0.23 0.00 0.00 176.35 176.28 1x62 s PRO 16 N -0.77 2.71 0.17 1.29 0.04 -1.26 -4.66 135.00 132.53 1x62 s PRO 16 Ca -0.05 0.69 -0.32 0.00 0.04 0.00 0.00 61.00 61.36 1x62 s PRO 16 Cb -0.05 -4.36 -0.12 0.00 0.04 0.00 0.00 34.50 30.01 1x62 s PRO 16 CO -0.00 -2.63 1.75 -1.33 0.04 0.00 0.00 177.00 174.83 1x62 n MET 17 N 9.09 2.71 -0.76 4.56 2.81 -1.26 -1.98 117.12 132.29 1x62 n MET 17 Ca 0.20 0.98 -0.32 0.00 -1.81 0.00 0.00 57.70 56.75 1x62 n MET 17 Cb 0.51 -2.83 0.14 0.00 -0.71 0.00 0.00 33.22 30.33 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x62 n ASP 19 N -2.03 1.92 0.07 0.00 2.03 -1.17 -3.28 116.55 114.08 1x62 n ASP 19 Ca 0.07 0.39 -0.13 0.00 0.52 0.00 0.00 54.79 55.65 1x62 n ASP 19 Cb 0.54 -0.82 -0.08 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.00 -0.54 0.00 -0.67 3.11 -1.87 -3.36 116.57 112.24 1x62 h LYS 20 Ca -0.32 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1x62 h LYS 20 Cb 1.21 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 1x62 h LYS 20 CO -0.19 -0.36 -0.19 0.00 -2.81 0.00 0.00 179.45 175.90 1x62 n GLY 22 N 1.73 0.89 3.01 0.00 0.00 -1.21 -5.01 105.19 104.60 1x62 n GLY 22 Ca -0.03 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.16 1.00 -0.56 2.61 -4.23 -1.26 -4.72 115.64 108.32 1x62 s THR 23 Ca 0.00 -0.42 -0.39 0.00 -1.18 0.00 0.00 61.69 59.70 1x62 s THR 23 Cb 0.00 -0.92 -0.17 0.00 1.34 0.00 0.00 72.50 72.75 1x62 s THR 23 CO 0.00 0.32 2.27 0.61 -0.54 0.00 0.00 174.62 177.28 1x62 n GLY 24 N 3.71 -0.06 3.76 3.99 0.00 -1.26 -1.85 105.19 113.47 1x62 n GLY 24 Ca -0.22 1.07 -0.37 0.00 0.00 0.00 0.00 46.02 46.49 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 7.14 2.61 -0.05 -0.61 1.01 -0.84 -4.90 121.20 125.57 1x62 s ILE 25 Ca 1.20 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 62.28 1x62 s ILE 25 Cb -1.26 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 38.03 1x62 s ILE 25 CO 0.57 -0.02 0.09 0.54 0.00 0.00 0.00 174.94 176.12 1x62 s VAL 26 N -1.46 -0.09 0.00 2.92 0.11 -1.26 -4.36 120.40 116.26 1x62 s VAL 26 Ca 0.69 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1x62 s VAL 26 Cb -0.33 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1x62 s VAL 26 CO 0.39 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1x62 n GLY 27 N 4.51 0.34 3.77 6.54 0.00 -1.26 -4.86 105.19 114.23 1x62 n GLY 27 Ca -0.21 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 2.37 -0.01 1.61 0.11 -1.26 -5.01 120.40 118.21 1x62 s VAL 28 Ca 0.00 0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 59.13 1x62 s VAL 28 Cb 0.00 -3.24 0.10 0.00 -1.53 0.00 0.00 36.38 31.72 1x62 s VAL 28 CO 0.00 0.09 0.88 0.72 -3.33 0.00 0.00 175.10 173.46 1x62 s PHE 29 N -1.04 -0.36 -0.58 1.54 -0.12 -1.26 -4.58 117.98 111.57 1x62 s PHE 29 Ca 0.52 0.26 -0.22 0.00 -0.05 0.00 0.00 56.93 57.44 1x62 s PHE 29 Cb -0.43 0.53 0.07 0.00 -0.63 0.00 0.00 43.02 42.55 1x62 s PHE 29 CO 0.57 -0.54 0.84 0.08 -0.05 0.00 0.00 175.22 176.12 1x62 s VAL 30 N -2.97 4.55 -0.50 -2.49 1.01 0.26 -4.88 120.40 115.38 1x62 s VAL 30 Ca 0.04 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1x62 s VAL 30 Cb -0.01 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.86 1x62 s VAL 30 CO -0.08 -1.17 1.39 -0.75 0.00 0.00 0.00 175.10 174.49 1x62 s LYS 31 N 3.48 3.45 0.69 2.72 2.36 -1.26 -1.91 119.74 129.27 1x62 s LYS 31 Ca 0.21 0.65 -0.10 0.00 -2.55 0.00 0.00 55.97 54.18 1x62 s LYS 31 Cb -0.17 -4.06 0.02 0.00 -1.05 0.00 0.00 37.83 32.57 1x62 s LYS 31 CO 0.12 -1.74 1.05 -0.51 1.55 0.00 0.00 175.35 175.83 1x62 s LEU 32 N 5.66 2.92 0.00 5.43 1.43 0.19 -4.98 118.68 129.33 1x62 s LEU 32 Ca 0.55 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1x62 s LEU 32 Cb -0.11 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1x62 s LEU 32 CO 0.29 -1.37 0.44 -1.14 0.23 0.00 0.00 176.35 174.80 1x62 n ARG 33 N -2.94 0.00 -0.05 1.70 0.63 -1.26 -2.92 116.66 111.83 1x62 n ARG 33 Ca 0.07 0.44 0.02 0.00 -0.92 0.00 0.00 57.85 57.46 1x62 n ARG 33 Cb 0.58 -0.74 0.04 0.00 0.45 0.00 0.00 32.46 32.79 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 -1.65 2.24 -4.29 6.15 5.75 -1.26 -5.04 116.55 118.45 1x62 n ASP 34 Ca 0.00 -2.08 -0.24 0.00 -0.01 0.00 0.00 54.79 52.46 1x62 n ASP 34 Cb 0.00 -0.08 -0.09 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.14 1.80 0.06 0.11 1.81 -1.15 -5.17 118.95 115.27 1x62 s ARG 35 Ca 0.07 -2.06 0.03 0.00 -1.72 0.00 0.00 55.73 52.06 1x62 s ARG 35 Cb 0.05 -0.72 -0.03 0.00 -0.45 0.00 0.00 34.95 33.80 1x62 s ARG 35 CO 0.03 -0.35 -0.10 -1.01 -0.68 0.00 0.00 175.30 173.20 1x62 s HIS 36 N -3.27 0.87 0.27 -0.53 3.76 -1.26 0.56 115.29 115.69 1x62 s HIS 36 Ca 0.29 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.51 1x62 s HIS 36 Cb 0.05 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.25 1x62 s HIS 36 CO 0.14 -0.04 0.59 1.03 -0.85 0.00 0.00 174.74 175.61 1x62 s ARG 37 N -1.93 1.70 0.55 1.40 0.52 -0.80 -3.06 118.95 117.33 1x62 s ARG 37 Ca -0.05 -1.20 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1x62 s ARG 37 Cb -0.08 0.53 -0.01 0.00 0.52 0.00 0.00 34.95 35.91 1x62 s ARG 37 CO 0.00 -0.74 0.87 -1.01 0.02 0.00 0.00 175.30 174.44 1x62 s HIS 38 N -3.81 3.41 -1.00 -0.53 3.76 -1.26 -0.58 115.29 115.29 1x62 s HIS 38 Ca 0.18 0.77 0.14 0.00 -0.15 0.00 0.00 55.06 56.01 1x62 s HIS 38 Cb -0.03 -2.56 0.61 0.00 1.11 0.00 0.00 32.58 31.71 1x62 s HIS 38 CO 0.09 -0.59 1.46 -0.35 -0.85 0.00 0.00 174.74 174.49 1x62 n PRO 39 N -2.47 0.00 -0.01 8.40 -0.04 -1.26 -2.62 135.00 137.00 1x62 n PRO 39 Ca 0.03 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1x62 n PRO 39 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.50 1.58 -0.01 0.54 0.28 -1.26 -4.54 120.64 115.72 1x62 n GLU 40 Ca 0.03 -0.02 0.13 0.00 -0.16 0.00 0.00 57.16 57.15 1x62 n GLU 40 Cb 0.17 -1.10 0.67 0.00 1.43 0.00 0.00 31.44 32.61 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 -0.46 0.00 -2.31 0.00 9.36 -1.08 -4.76 117.16 117.92 1x62 n TYR 42 Ca 0.20 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.11 1x62 n TYR 42 Cb 0.20 -0.06 -0.01 0.00 -0.63 0.00 0.00 39.34 38.84 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 -1.20 4.75 0.99 2.97 -7.23 -1.25 -3.54 120.40 115.88 1x62 s VAL 43 Ca 0.00 0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 1x62 s VAL 43 Cb 0.00 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 33.17 1x62 s VAL 43 CO 0.00 -0.90 0.32 0.00 -0.31 0.00 0.00 175.10 174.21 1x62 n THR 45 N -3.82 1.60 0.08 0.00 -1.04 -1.18 -3.28 114.28 106.63 1x62 n THR 45 Ca 0.05 -0.69 -0.03 0.00 -2.04 0.00 0.00 64.05 61.34 1x62 n THR 45 Cb 0.56 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.17 0.00 8.00 3.58 -1.93 -3.41 116.42 122.51 1x62 h ASP 46 Ca -0.46 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 56.92 1x62 h ASP 46 Cb 2.03 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 43.11 1x62 h ASP 46 CO 0.02 -0.08 -0.67 0.00 -2.88 0.00 0.00 179.24 175.63 1x62 n GLY 48 N 1.58 0.82 3.70 0.00 0.00 -1.21 -4.98 105.19 105.10 1x62 n GLY 48 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.55 4.01 0.04 2.61 -1.32 -1.26 -4.62 115.64 114.54 1x62 s THR 49 Ca 0.00 -1.13 -0.30 0.00 -1.21 0.00 0.00 61.69 59.05 1x62 s THR 49 Cb 0.00 -2.96 -0.08 0.00 -1.51 0.00 0.00 72.50 67.94 1x62 s THR 49 CO 0.00 0.02 1.88 0.21 -2.21 0.00 0.00 174.62 174.51 1x62 s ASN 50 N -2.62 6.49 -0.16 8.08 3.84 -1.26 -0.64 114.94 128.67 1x62 s ASN 50 Ca 0.27 2.60 0.15 0.00 0.21 0.00 0.00 52.86 56.10 1x62 s ASN 50 Cb -0.11 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.78 1x62 s ASN 50 CO 0.19 -1.02 1.62 0.18 -2.79 0.00 0.00 177.10 175.28 1x62 n LEU 51 N 7.09 4.92 0.22 3.21 4.77 -1.23 -4.55 117.00 131.42 1x62 n LEU 51 Ca 0.19 -2.49 -0.16 0.00 -0.03 0.00 0.00 56.01 53.51 1x62 n LEU 51 Cb 0.41 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1x62 n LEU 51 CO 0.66 0.69 0.56 0.50 -1.33 0.00 0.00 177.39 178.48 1x62 h LYS 52 N 3.81 -0.80 0.00 3.23 1.63 -1.89 0.24 116.57 122.79 1x62 h LYS 52 Ca 0.00 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1x62 h LYS 52 Cb 1.61 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 33.41 1x62 h LYS 52 CO 0.33 -0.54 -0.37 1.96 -3.45 0.00 0.00 179.45 177.38 1x62 h GLN 53 N -0.83 0.00 -0.30 1.90 4.20 -2.01 -3.38 115.11 114.68 1x62 h GLN 53 Ca -0.03 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1x62 h GLN 53 Cb 0.77 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1x62 h GLN 53 CO -0.13 0.35 -0.20 0.87 -0.67 0.00 0.00 178.83 179.05 1x62 h LYS 54 N -1.00 -0.16 0.00 1.46 1.57 -1.80 -3.48 116.57 113.15 1x62 h LYS 54 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1x62 h LYS 54 Cb 0.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1x62 h LYS 54 CO -0.04 -0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 1x62 n GLY 55 N -1.36 2.32 3.53 3.86 0.00 0.84 -4.79 105.19 109.59 1x62 n GLY 55 Ca 0.00 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.85 2.52 0.31 1.61 -3.43 -1.26 -3.81 115.29 108.38 1x62 s HIS 56 Ca 0.00 -0.27 0.10 0.00 -0.80 0.00 0.00 55.06 54.10 1x62 s HIS 56 Cb 0.00 -1.23 -0.05 0.00 -1.43 0.00 0.00 32.58 29.87 1x62 s HIS 56 CO 0.00 0.52 -0.08 -0.06 -2.00 0.00 0.00 174.74 173.12 1x62 s PHE 57 N -1.76 2.46 -0.36 0.38 0.40 0.17 -4.90 117.98 114.37 1x62 s PHE 57 Ca 0.24 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 1x62 s PHE 57 Cb -0.08 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1x62 s PHE 57 CO 0.14 0.60 0.19 -0.06 0.70 0.00 0.00 175.22 176.79 1x62 s PHE 58 N -2.50 3.24 -0.07 0.36 0.08 -1.26 -3.03 117.98 114.79 1x62 s PHE 58 Ca 0.32 -0.98 -0.03 0.00 0.12 0.00 0.00 56.93 56.36 1x62 s PHE 58 Cb -0.02 -2.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1x62 s PHE 58 CO 0.17 -0.64 0.10 0.08 -0.10 0.00 0.00 175.22 174.83 1x62 s VAL 59 N 1.54 -0.16 -1.43 -0.44 1.01 -0.84 -4.87 120.40 115.22 1x62 s VAL 59 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1x62 s VAL 59 Cb -0.19 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 35.97 1x62 s VAL 59 CO 0.06 0.10 0.98 -0.62 0.00 0.00 0.00 175.10 175.62 1x62 n GLU 60 N 5.31 -6.07 -2.62 2.72 1.02 -1.26 -0.93 120.64 118.80 1x62 n GLU 60 Ca -0.04 0.67 -0.21 0.00 -0.02 0.00 0.00 57.16 57.56 1x62 n GLU 60 Cb 0.50 -5.55 0.01 0.00 -0.02 0.00 0.00 31.44 26.38 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 -2.94 -5.86 -4.16 1.62 2.03 -1.26 -4.98 116.55 101.00 1x62 n ASP 61 Ca -0.05 -0.12 -0.21 0.00 0.52 0.00 0.00 54.79 54.93 1x62 n ASP 61 Cb 0.57 -4.80 -0.09 0.00 -0.72 0.00 0.00 41.12 36.08 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 -5.26 1.68 -0.02 -0.67 -1.52 -0.11 -5.16 119.66 108.60 1x62 s GLN 62 Ca 0.11 -1.97 0.07 0.00 -1.95 0.00 0.00 55.36 51.62 1x62 s GLN 62 Cb -0.05 -0.42 -0.02 0.00 -0.22 0.00 0.00 33.01 32.30 1x62 s GLN 62 CO 0.14 -0.39 -0.22 0.96 -0.25 0.00 0.00 175.29 175.53 1x62 s ILE 63 N -3.45 1.74 0.14 1.08 -4.36 -1.26 -1.98 121.20 113.12 1x62 s ILE 63 Ca 0.33 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 59.64 1x62 s ILE 63 Cb 0.05 -1.45 0.02 0.00 1.25 0.00 0.00 42.46 42.33 1x62 s ILE 63 CO 0.16 0.49 0.35 -0.31 0.24 0.00 0.00 174.94 175.87 1x62 s TYR 64 N -0.49 0.02 0.32 1.37 2.02 -1.17 -3.13 117.35 116.30 1x62 s TYR 64 Ca 0.08 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.13 1x62 s TYR 64 Cb -0.09 0.15 -0.10 0.00 -0.40 0.00 0.00 41.96 41.52 1x62 s TYR 64 CO -0.01 -0.71 0.96 0.00 -1.57 0.00 0.00 175.55 174.22 1x62 n GLU 66 N 0.62 -0.06 0.19 0.00 2.13 -1.25 0.50 120.64 122.78 1x62 n GLU 66 Ca 0.02 1.18 -0.16 0.00 0.66 0.00 0.00 57.16 58.86 1x62 n GLU 66 Cb 0.49 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 30.17 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 -0.72 0.28 5.31 3.64 -1.93 -1.75 116.57 121.40 1x62 h LYS 67 Ca 0.57 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.98 1x62 h LYS 67 Cb 1.32 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1x62 h LYS 67 CO -0.71 -0.48 -0.14 0.45 -2.27 0.00 0.00 179.45 176.30 1x62 h HIS 68 N -0.75 -0.35 -0.64 1.91 3.86 -0.31 -3.22 115.15 115.64 1x62 h HIS 68 Ca -0.01 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1x62 h HIS 68 Cb 0.71 0.12 -0.08 0.00 1.06 0.00 0.00 27.41 29.22 1x62 h HIS 68 CO -0.28 -0.01 -0.38 0.00 0.86 0.00 0.00 177.93 178.12 1x62 n ALA 69 N -2.49 -0.41 -0.29 2.45 0.00 0.11 0.64 120.51 120.51 1x62 n ALA 69 Ca -0.09 0.55 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1x62 n ALA 69 Cb 0.26 0.02 0.24 0.00 0.00 0.00 0.00 19.45 19.98 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 0.12 -0.61 0.00 3.08 -1.40 0.74 114.38 116.31 1x62 h ARG 70 Ca 0.10 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1x62 h ARG 70 Cb 0.26 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1x62 h ARG 70 CO -0.61 0.08 0.36 0.93 -1.07 0.00 0.00 179.97 179.66 1x62 h GLU 71 N 0.13 0.83 0.16 0.04 5.08 0.19 0.52 114.58 121.52 1x62 h GLU 71 Ca 0.51 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1x62 h GLU 71 Cb 1.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1x62 h GLU 71 CO -0.72 0.59 -0.08 0.00 -1.00 0.00 0.00 179.01 177.80 1x62 h ARG 72 N 0.84 -0.21 0.00 2.33 3.08 0.19 -3.12 114.38 117.49 1x62 h ARG 72 Ca 0.22 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 1x62 h ARG 72 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1x62 h ARG 72 CO -0.04 0.12 -0.36 -0.24 -1.07 0.00 0.00 179.97 178.38 1x62 h VAL 73 N -0.56 0.98 -3.40 2.04 3.04 -0.98 -3.42 116.25 113.95 1x62 h VAL 73 Ca -0.02 -1.38 -0.59 0.00 -1.01 0.00 0.00 66.70 63.70 1x62 h VAL 73 Cb 0.43 1.81 -0.11 0.00 -2.01 0.00 0.00 31.29 31.41 1x62 h VAL 73 CO 0.04 0.35 -0.25 -0.55 -1.01 0.00 0.00 177.57 176.15 1x62 s SER 74 N -6.55 6.46 0.30 3.17 0.15 0.18 -5.08 113.70 112.32 1x62 s SER 74 Ca -0.01 0.54 0.08 0.00 0.70 0.00 0.00 55.95 57.25 1x62 s SER 74 Cb 0.12 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1x62 s SER 74 CO 0.69 0.00 0.19 -0.83 1.20 0.00 0.00 173.24 174.48 1x62 s GLY 75 N 0.79 1.68 0.00 9.45 0.00 -1.26 -4.67 107.32 113.30 1x62 s GLY 75 Ca 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1x62 s GLY 75 CO 0.07 -1.60 0.45 -1.55 0.00 0.00 0.00 173.10 170.46 1x62 n PRO 76 N -1.19 0.49 -1.64 2.90 -0.04 -1.26 -4.85 135.00 129.40 1x62 n PRO 76 Ca -0.05 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.92 1x62 n PRO 76 Cb 0.59 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.96 1x62 n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x62 n SER 77 N -0.37 2.52 -4.98 3.54 3.41 -1.26 -4.97 113.62 111.51 1x62 n SER 77 Ca 0.00 1.09 -0.20 0.00 -0.26 0.00 0.00 58.87 59.49 1x62 n SER 77 Cb 0.02 -1.31 0.01 0.00 -0.26 0.00 0.00 64.21 62.67 1x62 n SER 77 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x62 s SER 78 N 1.19 5.70 0.00 4.04 0.01 -1.26 -5.25 113.70 118.13 1x62 s SER 78 Ca 0.83 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1x62 s SER 78 Cb -0.81 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1x62 s SER 78 CO 0.44 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.95