#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 6.20 0.62 1.61 1.04 -1.26 -5.01 113.70 116.91 1x62 s SER 2 Ca 0.00 2.90 -0.05 0.00 0.48 0.00 0.00 55.95 59.29 1x62 s SER 2 Cb 0.00 -2.66 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1x62 s SER 2 CO 0.00 -0.95 0.92 -0.55 0.98 0.00 0.00 173.24 173.63 1x62 s SER 3 N -0.41 5.25 -0.66 7.02 0.15 -1.26 -5.04 113.70 118.75 1x62 s SER 3 Ca 0.56 0.49 0.04 0.00 0.70 0.00 0.00 55.95 57.74 1x62 s SER 3 Cb -0.43 -1.34 0.33 0.00 -1.71 0.00 0.00 66.02 62.86 1x62 s SER 3 CO 0.57 -1.27 1.08 0.61 1.20 0.00 0.00 173.24 175.43 1x62 n GLY 4 N -2.66 5.62 3.98 9.45 0.00 -1.26 -5.05 105.19 115.27 1x62 n GLY 4 Ca 0.06 -2.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.12 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 -3.03 5.09 -0.16 1.61 0.01 -1.26 -5.07 113.70 110.89 1x62 s SER 5 Ca 0.46 -0.84 -0.22 0.00 1.31 0.00 0.00 55.95 56.66 1x62 s SER 5 Cb 0.25 0.05 -0.19 0.00 0.21 0.00 0.00 66.02 66.34 1x62 s SER 5 CO -0.12 -1.11 0.39 -1.28 0.41 0.00 0.00 173.24 171.53 1x62 h SER 6 N 0.48 0.00 0.00 2.44 0.87 -2.08 -3.50 113.55 111.76 1x62 h SER 6 Ca -0.34 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 1x62 h SER 6 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1x62 h SER 6 CO 0.47 1.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.52 1x62 n GLY 7 N 1.55 -0.24 3.07 5.77 0.00 -1.26 -5.13 105.19 108.96 1x62 n GLY 7 Ca -0.18 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.12 0.42 -0.01 1.61 0.15 -1.26 -5.02 113.70 107.47 1x62 s SER 8 Ca 0.00 -0.87 0.03 0.00 0.70 0.00 0.00 55.95 55.80 1x62 s SER 8 Cb 0.00 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1x62 s SER 8 CO 0.00 -0.54 -0.06 0.27 1.20 0.00 0.00 173.24 174.11 1x62 s ILE 9 N -3.39 3.71 0.00 6.45 -4.36 -1.26 -5.03 121.20 117.32 1x62 s ILE 9 Ca 0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 1x62 s ILE 9 Cb 0.04 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1x62 s ILE 9 CO -0.08 0.43 0.00 0.61 0.24 0.00 0.00 174.94 176.14 1x62 n GLY 10 N 1.67 1.80 3.42 6.27 0.00 -1.26 -4.53 105.19 112.57 1x62 n GLY 10 Ca -0.16 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1x62 n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x62 s ASN 11 N -3.10 3.37 -0.24 1.61 2.47 -1.26 -5.13 114.94 112.66 1x62 s ASN 11 Ca 0.00 -0.92 -0.03 0.00 0.42 0.00 0.00 52.86 52.33 1x62 s ASN 11 Cb 0.00 -0.25 0.13 0.00 -1.45 0.00 0.00 41.25 39.67 1x62 s ASN 11 CO 0.00 0.07 0.37 0.00 -3.72 0.00 0.00 177.10 173.82 1x62 s ALA 12 N -2.01 -1.06 0.03 1.71 0.00 -1.26 -5.10 121.76 114.07 1x62 s ALA 12 Ca 0.23 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 1x62 s ALA 12 Cb -0.07 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1x62 s ALA 12 CO 0.11 -1.21 0.03 1.14 0.00 0.00 0.00 175.76 175.82 1x62 s GLN 13 N 2.54 0.50 -1.42 0.00 -2.07 -1.26 -4.86 119.66 113.10 1x62 s GLN 13 Ca 0.11 -0.81 -0.13 0.00 -1.82 0.00 0.00 55.36 52.71 1x62 s GLN 13 Cb -0.15 0.19 0.11 0.00 -1.09 0.00 0.00 33.01 32.07 1x62 s GLN 13 CO -0.15 -0.11 0.60 0.36 -1.32 0.00 0.00 175.29 174.67 1x62 n LYS 14 N 0.89 -3.21 -4.41 9.60 2.85 -1.26 -4.94 118.16 117.68 1x62 n LYS 14 Ca -0.19 0.40 -0.26 0.00 -1.05 0.00 0.00 58.31 57.20 1x62 n LYS 14 Cb 0.58 -5.10 -0.13 0.00 -0.65 0.00 0.00 35.03 29.72 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 -6.77 2.28 -0.36 -5.58 1.43 -1.26 -5.09 118.68 103.33 1x62 s LEU 15 Ca 0.54 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 1x62 s LEU 15 Cb -0.29 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1x62 s LEU 15 CO 0.67 0.13 1.70 -2.16 0.23 0.00 0.00 176.35 176.92 1x62 s PRO 16 N -1.82 3.38 0.24 1.29 0.04 -1.26 -4.62 135.00 132.25 1x62 s PRO 16 Ca 0.09 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 1x62 s PRO 16 Cb -0.10 -4.16 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 1x62 s PRO 16 CO 0.04 -1.80 1.62 -1.64 0.04 0.00 0.00 177.00 175.26 1x62 s MET 17 N 5.50 4.15 0.55 4.56 -1.94 -1.26 -1.65 119.30 129.22 1x62 s MET 17 Ca 0.75 2.53 -0.21 0.00 -1.71 0.00 0.00 55.69 57.05 1x62 s MET 17 Cb -0.20 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 1x62 s MET 17 CO 0.33 -0.65 1.31 0.00 -0.01 0.00 0.00 175.02 176.00 1x62 h ASP 19 N 1.36 0.14 0.05 0.00 1.82 -0.25 -2.94 116.42 116.60 1x62 h ASP 19 Ca -0.51 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 55.92 1x62 h ASP 19 Cb 1.30 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1x62 h ASP 19 CO 0.57 1.17 -0.02 0.50 -1.61 0.00 0.00 179.24 179.85 1x62 h LYS 20 N 0.03 -0.06 0.00 0.28 1.63 -1.89 -3.42 116.57 113.13 1x62 h LYS 20 Ca -0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1x62 h LYS 20 Cb 1.93 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.58 1x62 h LYS 20 CO 0.13 -0.04 -0.12 0.00 -3.45 0.00 0.00 179.45 175.97 1x62 n GLY 22 N 1.79 0.92 3.04 0.00 0.00 -1.11 -4.99 105.19 104.84 1x62 n GLY 22 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.27 1.00 -0.51 2.61 -4.23 -1.26 -4.72 115.64 108.26 1x62 s THR 23 Ca 0.00 -0.47 -0.39 0.00 -1.18 0.00 0.00 61.69 59.65 1x62 s THR 23 Cb 0.00 -0.89 -0.17 0.00 1.34 0.00 0.00 72.50 72.78 1x62 s THR 23 CO 0.00 0.31 2.23 0.61 -0.54 0.00 0.00 174.62 177.23 1x62 n GLY 24 N 3.37 0.01 3.77 3.99 0.00 -1.26 -2.44 105.19 112.62 1x62 n GLY 24 Ca -0.19 1.06 -0.38 0.00 0.00 0.00 0.00 46.02 46.50 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 6.94 2.76 -0.07 -0.61 1.01 -0.66 -4.92 121.20 125.64 1x62 s ILE 25 Ca 1.18 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 62.42 1x62 s ILE 25 Cb -1.24 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 37.93 1x62 s ILE 25 CO 0.58 0.04 0.04 0.54 0.00 0.00 0.00 174.94 176.13 1x62 s VAL 26 N -1.38 0.14 0.00 2.92 0.11 -1.26 -4.32 120.40 116.61 1x62 s VAL 26 Ca 0.62 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1x62 s VAL 26 Cb -0.34 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1x62 s VAL 26 CO 0.42 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1x62 n GLY 27 N 5.22 0.91 3.76 6.54 0.00 -1.26 -4.94 105.19 115.42 1x62 n GLY 27 Ca -0.05 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 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 3.42 0.01 1.61 0.11 -1.26 -5.04 120.40 119.26 1x62 s VAL 28 Ca 0.00 1.35 -0.28 0.00 -2.93 0.00 0.00 61.98 60.12 1x62 s VAL 28 Cb 0.00 -3.82 0.09 0.00 -1.53 0.00 0.00 36.38 31.12 1x62 s VAL 28 CO 0.00 0.26 0.81 0.72 -3.33 0.00 0.00 175.10 173.56 1x62 s PHE 29 N -1.27 -0.43 -0.58 1.54 -0.12 -1.26 -4.34 117.98 111.52 1x62 s PHE 29 Ca 0.48 0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 57.54 1x62 s PHE 29 Cb -0.31 0.52 0.08 0.00 -0.63 0.00 0.00 43.02 42.68 1x62 s PHE 29 CO 0.39 -0.60 0.78 0.08 -0.05 0.00 0.00 175.22 175.82 1x62 s VAL 30 N -2.83 4.66 -0.63 -2.49 1.01 -0.69 -4.85 120.40 114.58 1x62 s VAL 30 Ca 0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 1x62 s VAL 30 Cb -0.01 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1x62 s VAL 30 CO -0.07 -1.13 1.52 -0.75 0.00 0.00 0.00 175.10 174.67 1x62 s LYS 31 N 3.17 3.06 0.49 2.72 2.36 -1.26 -2.98 119.74 127.31 1x62 s LYS 31 Ca 0.17 0.30 0.04 0.00 -2.55 0.00 0.00 55.97 53.94 1x62 s LYS 31 Cb -0.20 -4.22 0.02 0.00 -1.05 0.00 0.00 37.83 32.38 1x62 s LYS 31 CO 0.10 -2.24 0.69 -0.51 1.55 0.00 0.00 175.35 174.93 1x62 s LEU 32 N 6.89 3.44 -0.03 5.43 1.43 -1.16 -5.00 118.68 129.69 1x62 s LEU 32 Ca 0.52 -0.18 -0.36 0.00 -1.03 0.00 0.00 54.13 53.07 1x62 s LEU 32 Cb -0.11 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 43.19 1x62 s LEU 32 CO 0.21 -0.98 1.65 0.54 0.23 0.00 0.00 176.35 177.99 1x62 n ARG 33 N -2.13 1.70 -1.64 1.70 5.12 -1.26 -1.49 116.66 118.66 1x62 n ARG 33 Ca 0.08 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1x62 n ARG 33 Cb 0.59 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x62 n ASP 34 N 4.57 -0.56 -3.99 0.55 9.92 -1.26 -4.76 116.55 121.02 1x62 n ASP 34 Ca 0.21 0.28 -0.16 0.00 -0.53 0.00 0.00 54.79 54.59 1x62 n ASP 34 Cb 0.23 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 40.02 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x62 s ARG 35 N -2.95 1.46 -0.15 -1.24 1.81 -0.55 -5.17 118.95 112.16 1x62 s ARG 35 Ca 0.00 -1.81 -0.08 0.00 -1.72 0.00 0.00 55.73 52.12 1x62 s ARG 35 Cb 0.00 0.09 0.06 0.00 -0.45 0.00 0.00 34.95 34.64 1x62 s ARG 35 CO 0.00 -0.45 0.36 -1.01 -0.68 0.00 0.00 175.30 173.52 1x62 s HIS 36 N -3.79 -0.52 0.15 -0.53 3.76 -1.26 -2.96 115.29 110.14 1x62 s HIS 36 Ca 0.38 1.14 -0.05 0.00 -0.15 0.00 0.00 55.06 56.38 1x62 s HIS 36 Cb 0.06 0.20 -0.02 0.00 1.11 0.00 0.00 32.58 33.92 1x62 s HIS 36 CO 0.17 -0.31 0.17 1.03 -0.85 0.00 0.00 174.74 174.95 1x62 s ARG 37 N 1.38 1.05 0.65 1.40 0.52 -1.16 0.55 118.95 123.34 1x62 s ARG 37 Ca -0.09 -1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 1x62 s ARG 37 Cb -0.09 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 1x62 s ARG 37 CO -0.11 -0.34 1.06 -1.01 0.02 0.00 0.00 175.30 174.91 1x62 s HIS 38 N -4.01 3.52 -1.03 -0.53 3.76 -1.26 -1.70 115.29 114.03 1x62 s HIS 38 Ca 0.21 1.20 0.14 0.00 -0.15 0.00 0.00 55.06 56.46 1x62 s HIS 38 Cb 0.05 -2.85 0.61 0.00 1.11 0.00 0.00 32.58 31.51 1x62 s HIS 38 CO 0.01 -0.87 1.45 -0.35 -0.85 0.00 0.00 174.74 174.13 1x62 n PRO 39 N -2.85 0.02 -0.01 8.40 -0.04 -1.26 -2.60 135.00 136.66 1x62 n PRO 39 Ca 0.06 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1x62 n PRO 39 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.48 1.54 0.00 0.54 0.28 -1.26 -4.54 120.64 115.72 1x62 n GLU 40 Ca 0.04 -0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.16 1x62 n GLU 40 Cb 0.16 -1.11 0.74 0.00 1.43 0.00 0.00 31.44 32.67 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 -1.05 0.00 -1.53 0.00 9.36 -1.07 -4.81 117.16 118.06 1x62 n TYR 42 Ca 0.17 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.07 1x62 n TYR 42 Cb 0.23 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.00 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 3.78 0.71 2.97 -7.23 -1.23 -4.08 120.40 113.32 1x62 s VAL 43 Ca 0.14 0.61 -0.16 0.00 -1.81 0.00 0.00 61.98 60.76 1x62 s VAL 43 Cb 0.07 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1x62 s VAL 43 CO 0.11 -0.72 0.64 0.00 -0.31 0.00 0.00 175.10 174.81 1x62 h THR 45 N -0.31 0.94 0.21 0.00 2.02 -1.73 -3.06 112.91 110.98 1x62 h THR 45 Ca -0.46 -2.67 -0.01 0.00 0.77 0.00 0.00 66.41 64.04 1x62 h THR 45 Cb 1.35 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1x62 h THR 45 CO 0.44 0.73 -0.10 -0.78 0.37 0.00 0.00 175.52 176.18 1x62 h ASP 46 N 0.04 -0.24 0.00 4.18 1.82 -1.92 -3.42 116.42 116.88 1x62 h ASP 46 Ca -0.29 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1x62 h ASP 46 Cb 2.01 0.06 0.00 0.00 0.68 0.00 0.00 39.33 42.08 1x62 h ASP 46 CO 0.11 -0.11 -0.50 0.00 -1.61 0.00 0.00 179.24 177.13 1x62 n GLY 48 N 1.59 0.69 3.62 0.00 0.00 -1.16 -4.96 105.19 104.98 1x62 n GLY 48 Ca -0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.01 3.65 -0.12 2.61 -1.32 -1.26 -4.66 115.64 114.53 1x62 s THR 49 Ca 0.00 -1.08 -0.32 0.00 -1.21 0.00 0.00 61.69 59.08 1x62 s THR 49 Cb 0.00 -2.70 -0.09 0.00 -1.51 0.00 0.00 72.50 68.20 1x62 s THR 49 CO 0.00 0.17 2.03 0.59 -2.21 0.00 0.00 174.62 175.20 1x62 n ASN 50 N 0.82 3.44 -1.30 8.08 5.03 -1.26 -1.68 115.26 128.38 1x62 n ASN 50 Ca -0.13 0.70 0.10 0.00 0.87 0.00 0.00 54.58 56.12 1x62 n ASN 50 Cb 0.52 -1.45 0.30 0.00 -1.02 0.00 0.00 39.78 38.14 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1x62 n LEU 51 N 8.52 3.80 0.33 3.41 4.77 -1.26 -4.42 117.00 132.16 1x62 n LEU 51 Ca 0.26 -1.91 -0.18 0.00 -0.03 0.00 0.00 56.01 54.15 1x62 n LEU 51 Cb 0.35 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1x62 n LEU 51 CO 0.70 0.82 0.56 0.50 -1.33 0.00 0.00 177.39 178.65 1x62 h LYS 52 N 3.77 -0.97 0.00 3.23 1.63 -1.86 -0.36 116.57 122.00 1x62 h LYS 52 Ca 0.00 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1x62 h LYS 52 Cb 1.04 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1x62 h LYS 52 CO 0.08 -0.65 -0.30 1.96 -3.45 0.00 0.00 179.45 177.09 1x62 h GLN 53 N -1.01 0.00 -0.83 1.90 4.20 -2.01 -3.37 115.11 113.99 1x62 h GLN 53 Ca -0.07 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.85 1x62 h GLN 53 Cb 0.85 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.50 1x62 h GLN 53 CO 0.00 0.04 0.18 0.87 -0.67 0.00 0.00 178.83 179.25 1x62 h LYS 54 N -1.00 0.20 0.00 1.46 1.57 -1.77 -3.47 116.57 113.55 1x62 h LYS 54 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x62 h LYS 54 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1x62 h LYS 54 CO -0.00 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 1x62 n GLY 55 N -1.38 2.00 3.26 3.86 0.00 -0.15 -4.82 105.19 107.95 1x62 n GLY 55 Ca 0.18 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.13 1.29 0.13 1.61 -3.43 -1.26 -4.20 115.29 107.31 1x62 s HIS 56 Ca 0.00 -0.74 0.06 0.00 -0.80 0.00 0.00 55.06 53.58 1x62 s HIS 56 Cb 0.00 -0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 30.46 1x62 s HIS 56 CO 0.00 0.10 -0.14 -0.06 -2.00 0.00 0.00 174.74 172.64 1x62 s PHE 57 N -3.28 1.42 -0.38 0.38 0.08 -1.00 -4.95 117.98 110.25 1x62 s PHE 57 Ca 0.17 -0.56 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 1x62 s PHE 57 Cb 0.02 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1x62 s PHE 57 CO 0.01 0.16 0.34 -0.06 -0.10 0.00 0.00 175.22 175.57 1x62 s PHE 58 N -2.20 3.21 -0.14 0.36 0.08 -1.26 -3.06 117.98 114.98 1x62 s PHE 58 Ca 0.10 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 1x62 s PHE 58 Cb -0.05 -2.68 0.05 0.00 -0.57 0.00 0.00 43.02 39.78 1x62 s PHE 58 CO 0.03 -0.54 0.08 0.08 -0.10 0.00 0.00 175.22 174.77 1x62 s VAL 59 N 1.90 -0.04 -1.30 -0.44 1.01 -0.90 -4.86 120.40 115.78 1x62 s VAL 59 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1x62 s VAL 59 Cb -0.18 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1x62 s VAL 59 CO 0.12 -0.15 1.12 -0.62 0.00 0.00 0.00 175.10 175.57 1x62 n GLU 60 N 5.27 -7.53 -2.61 2.72 -0.58 -1.26 -1.75 120.64 114.90 1x62 n GLU 60 Ca -0.06 0.82 -0.20 0.00 -0.42 0.00 0.00 57.16 57.29 1x62 n GLU 60 Cb 0.49 -5.82 0.01 0.00 -0.57 0.00 0.00 31.44 25.55 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 -2.97 -5.76 -3.85 1.62 2.03 -1.26 -4.98 116.55 101.38 1x62 n ASP 61 Ca -0.06 -0.12 -0.23 0.00 0.52 0.00 0.00 54.79 54.90 1x62 n ASP 61 Cb 0.58 -4.71 -0.08 0.00 -0.72 0.00 0.00 41.12 36.20 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 -5.24 1.83 -0.03 -0.67 -0.21 -0.72 -5.16 119.66 109.47 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 -0.23 -0.01 0.00 1.00 0.00 0.00 33.01 33.72 1x62 s GLN 62 CO 0.14 -0.54 -0.16 0.96 -2.12 0.00 0.00 175.29 173.57 1x62 s ILE 63 N -3.34 1.34 0.27 1.08 -4.36 -1.26 -2.11 121.20 112.82 1x62 s ILE 63 Ca 0.31 -0.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.99 1x62 s ILE 63 Cb 0.03 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 1x62 s ILE 63 CO 0.19 0.38 0.30 -0.31 0.24 0.00 0.00 174.94 175.74 1x62 s TYR 64 N -0.17 1.20 0.18 1.37 2.02 -1.17 -1.84 117.35 118.93 1x62 s TYR 64 Ca 0.01 -1.35 -0.15 0.00 -0.37 0.00 0.00 57.07 55.21 1x62 s TYR 64 Cb -0.09 -0.40 -0.07 0.00 -0.40 0.00 0.00 41.96 41.00 1x62 s TYR 64 CO 0.01 -0.86 0.60 0.00 -1.57 0.00 0.00 175.55 173.73 1x62 n GLU 66 N 0.69 -0.05 0.36 0.00 2.13 -1.26 0.40 120.64 122.90 1x62 n GLU 66 Ca -0.04 1.15 -0.18 0.00 0.66 0.00 0.00 57.16 58.75 1x62 n GLU 66 Cb 0.52 -1.98 -0.09 0.00 0.27 0.00 0.00 31.44 30.15 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 0.70 5.31 3.64 -1.96 -1.68 116.57 121.59 1x62 h LYS 67 Ca 0.62 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 60.03 1x62 h LYS 67 Cb 1.53 0.23 0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1x62 h LYS 67 CO -0.67 -0.67 -0.34 0.45 -2.27 0.00 0.00 179.45 175.95 1x62 h HIS 68 N -1.04 -0.87 -0.90 1.91 3.86 -0.43 -2.87 115.15 114.82 1x62 h HIS 68 Ca -0.08 -0.02 0.38 0.00 -1.16 0.00 0.00 60.37 59.49 1x62 h HIS 68 Cb 0.85 0.29 -0.16 0.00 1.06 0.00 0.00 27.41 29.45 1x62 h HIS 68 CO -0.14 -0.54 0.49 0.00 0.86 0.00 0.00 177.93 178.60 1x62 n ALA 69 N -2.68 0.92 -0.10 2.45 0.00 0.70 0.17 120.51 121.97 1x62 n ALA 69 Ca -0.12 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.12 1x62 n ALA 69 Cb 0.37 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 0.53 0.00 0.00 3.08 -1.22 -2.40 114.38 114.37 1x62 h ARG 70 Ca 0.76 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.51 1x62 h ARG 70 Cb 2.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 1x62 h ARG 70 CO -0.69 0.72 -0.50 1.05 -1.07 0.00 0.00 179.97 179.48 1x62 h GLU 71 N 0.30 0.00 0.04 0.04 4.11 0.19 -2.82 114.58 116.44 1x62 h GLU 71 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1x62 h GLU 71 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x62 h GLU 71 CO 0.02 0.50 -0.02 0.00 0.07 0.00 0.00 179.01 179.58 1x62 h ARG 72 N 0.00 -0.05 0.80 1.06 3.08 -0.15 -3.29 114.38 115.83 1x62 h ARG 72 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1x62 h ARG 72 Cb 0.91 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.98 1x62 h ARG 72 CO 0.06 0.22 -0.39 0.28 -1.07 0.00 0.00 179.97 179.07 1x62 h VAL 73 N -0.32 0.20 -3.41 2.04 2.07 -1.42 -3.42 116.25 111.99 1x62 h VAL 73 Ca -0.01 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 1x62 h VAL 73 Cb 0.30 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 30.11 1x62 h VAL 73 CO 0.01 0.00 -0.55 -0.55 0.02 0.00 0.00 177.57 176.50 1x62 s SER 74 N -4.24 5.77 0.00 0.57 0.15 -1.07 -4.97 113.70 109.91 1x62 s SER 74 Ca -0.19 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1x62 s SER 74 Cb 0.03 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1x62 s SER 74 CO 0.61 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.78 1x62 n GLY 75 N 3.91 0.17 3.59 9.45 0.00 -1.26 -4.44 105.19 116.61 1x62 n GLY 75 Ca -0.16 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 -1.31 -0.07 1.61 0.04 -1.26 -5.07 135.00 126.94 1x62 s PRO 76 Ca 0.00 -0.09 0.03 0.00 0.04 0.00 0.00 61.00 60.98 1x62 s PRO 76 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1x62 s PRO 76 CO 0.00 -3.76 -0.17 -1.54 0.04 0.00 0.00 177.00 171.57 1x62 s SER 77 N -3.91 2.20 0.30 6.66 1.04 -1.26 -5.03 113.70 113.69 1x62 s SER 77 Ca 0.71 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 56.57 1x62 s SER 77 Cb -0.09 -0.89 -0.09 0.00 0.10 0.00 0.00 66.02 65.05 1x62 s SER 77 CO 0.56 0.10 0.79 -0.44 0.98 0.00 0.00 173.24 175.23 1x62 s SER 78 N 0.39 6.98 0.00 7.02 0.01 -1.26 -5.32 113.70 121.52 1x62 s SER 78 Ca -0.12 1.46 0.12 0.00 1.31 0.00 0.00 55.95 58.72 1x62 s SER 78 Cb -0.15 -2.44 0.71 0.00 0.21 0.00 0.00 66.02 64.35 1x62 s SER 78 CO 0.04 -0.12 1.14 0.61 0.41 0.00 0.00 173.24 175.33