#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 -0.25 -0.02 1.61 1.04 -1.26 -5.16 113.70 109.66 1x62 s SER 2 Ca 0.00 0.90 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 1x62 s SER 2 Cb 0.00 1.38 0.10 0.00 0.10 0.00 0.00 66.02 67.60 1x62 s SER 2 CO 0.00 -0.24 0.85 -0.55 0.98 0.00 0.00 173.24 174.27 1x62 s SER 3 N 2.62 -0.43 0.00 7.02 0.15 -1.26 -5.18 113.70 116.62 1x62 s SER 3 Ca 0.01 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x62 s SER 3 Cb -0.13 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1x62 s SER 3 CO -0.14 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1x62 n GLY 4 N 0.09 3.86 3.10 9.45 0.00 -1.26 -5.17 105.19 115.26 1x62 n GLY 4 Ca -0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -0.26 -0.01 1.61 0.01 -1.26 -5.16 113.70 108.63 1x62 s SER 5 Ca 0.00 0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.84 1x62 s SER 5 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1x62 s SER 5 CO 0.00 -0.12 -0.23 -0.44 0.41 0.00 0.00 173.24 172.87 1x62 s SER 6 N 0.56 2.65 0.00 2.44 0.01 -1.26 -5.09 113.70 113.01 1x62 s SER 6 Ca -0.04 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1x62 s SER 6 Cb -0.05 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1x62 s SER 6 CO -0.03 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1x62 n GLY 7 N 2.45 2.50 3.66 3.44 0.00 -1.26 -5.06 105.19 110.92 1x62 n GLY 7 Ca -0.16 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 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 0.00 6.64 -0.38 1.61 0.01 -1.26 -5.04 113.70 115.28 1x62 s SER 8 Ca 0.00 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.00 1x62 s SER 8 Cb 0.00 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 63.99 1x62 s SER 8 CO 0.00 -0.24 0.16 -0.63 0.41 0.00 0.00 173.24 172.94 1x62 s ILE 9 N 1.79 3.43 -0.37 1.44 1.01 -1.26 -4.95 121.20 122.29 1x62 s ILE 9 Ca 0.27 -1.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.18 1x62 s ILE 9 Cb -0.16 -3.18 0.22 0.00 0.01 0.00 0.00 42.46 39.36 1x62 s ILE 9 CO 0.10 -0.48 1.07 0.61 0.00 0.00 0.00 174.94 176.25 1x62 n GLY 10 N 4.68 -1.51 3.20 6.18 0.00 -1.26 -5.16 105.19 111.32 1x62 n GLY 10 Ca -0.07 1.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.84 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 0.65 1.94 -0.12 1.61 6.03 -1.26 -5.09 114.94 118.70 1x62 s ASN 11 Ca 0.25 -0.59 -0.32 0.00 -1.03 0.00 0.00 52.86 51.17 1x62 s ASN 11 Cb 0.13 -0.10 -0.10 0.00 -3.03 0.00 0.00 41.25 38.16 1x62 s ASN 11 CO -0.10 0.00 2.00 0.00 -2.03 0.00 0.00 177.10 176.97 1x62 n ALA 12 N 1.42 1.22 -3.04 3.54 0.00 -1.26 -4.95 120.51 117.44 1x62 n ALA 12 Ca -0.20 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1x62 n ALA 12 Cb 0.54 -2.62 -0.12 0.00 0.00 0.00 0.00 19.45 17.24 1x62 n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x62 s GLN 13 N 4.85 3.34 -0.14 0.00 -1.52 -1.26 -4.95 119.66 119.97 1x62 s GLN 13 Ca 0.95 -0.70 0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1x62 s GLN 13 Cb -0.59 -3.42 0.57 0.00 -0.22 0.00 0.00 33.01 29.34 1x62 s GLN 13 CO 0.46 -0.36 1.40 1.63 -0.25 0.00 0.00 175.29 178.17 1x62 n LYS 14 N 4.92 3.49 -4.32 2.91 4.01 -1.26 -4.90 118.16 123.02 1x62 n LYS 14 Ca -0.15 -2.19 -0.29 0.00 -0.51 0.00 0.00 58.31 55.17 1x62 n LYS 14 Cb 0.49 -1.93 -0.12 0.00 -0.51 0.00 0.00 35.03 32.97 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x62 s LEU 15 N -1.78 2.64 -0.46 -0.35 1.43 -1.26 -5.08 118.68 113.82 1x62 s LEU 15 Ca 0.38 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1x62 s LEU 15 Cb 0.28 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1x62 s LEU 15 CO 0.14 0.18 1.77 -2.16 0.23 0.00 0.00 176.35 176.51 1x62 s PRO 16 N -2.15 3.07 0.40 1.29 0.04 -1.26 -4.64 135.00 131.76 1x62 s PRO 16 Ca 0.17 1.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.96 1x62 s PRO 16 Cb -0.10 -4.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.08 1x62 s PRO 16 CO 0.10 -2.18 1.46 -1.33 0.04 0.00 0.00 177.00 175.08 1x62 n MET 17 N 8.70 2.49 -2.38 4.56 2.81 -1.26 -2.12 117.12 129.91 1x62 n MET 17 Ca 0.21 0.88 -0.41 0.00 -1.81 0.00 0.00 57.70 56.56 1x62 n MET 17 Cb 0.49 -2.63 -0.03 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 h ASP 19 N 5.16 0.24 0.39 0.00 3.32 -1.59 -2.02 116.42 121.92 1x62 h ASP 19 Ca -0.45 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 1x62 h ASP 19 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1x62 h ASP 19 CO 0.74 1.04 -0.19 0.50 -1.72 0.00 0.00 179.24 179.61 1x62 h LYS 20 N 0.09 -0.51 0.00 3.56 1.63 -1.92 -3.42 116.57 115.99 1x62 h LYS 20 Ca -0.05 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1x62 h LYS 20 Cb 1.58 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 1x62 h LYS 20 CO 0.14 -0.34 -0.00 0.00 -3.45 0.00 0.00 179.45 175.80 1x62 n GLY 22 N 1.75 0.62 2.90 0.00 0.00 -0.76 -4.98 105.19 104.72 1x62 n GLY 22 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.34 0.46 -0.16 2.61 -4.23 -1.26 -4.75 115.64 107.98 1x62 s THR 23 Ca 0.00 -0.12 -0.42 0.00 -1.18 0.00 0.00 61.69 59.97 1x62 s THR 23 Cb 0.00 -0.48 -0.20 0.00 1.34 0.00 0.00 72.50 73.16 1x62 s THR 23 CO 0.00 0.19 1.27 0.61 -0.54 0.00 0.00 174.62 176.15 1x62 n GLY 24 N 3.80 -0.07 3.88 3.99 0.00 -1.26 -2.75 105.19 112.78 1x62 n GLY 24 Ca -0.23 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 1.06 4.84 -0.07 -0.61 1.01 -0.90 -4.90 121.20 121.62 1x62 s ILE 25 Ca 0.95 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 1x62 s ILE 25 Cb -1.32 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 37.46 1x62 s ILE 25 CO 0.65 -0.47 0.17 0.54 0.00 0.00 0.00 174.94 175.82 1x62 s VAL 26 N -2.30 -0.04 0.00 2.92 0.11 -1.26 -4.39 120.40 115.43 1x62 s VAL 26 Ca 0.50 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1x62 s VAL 26 Cb -0.10 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1x62 s VAL 26 CO 0.31 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1x62 n GLY 27 N 4.10 0.21 3.70 6.54 0.00 -1.26 -4.86 105.19 113.63 1x62 n GLY 27 Ca -0.25 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 1.92 -3.76 1.61 3.14 -1.26 -4.98 118.33 115.00 1x62 n VAL 28 Ca 0.00 -0.48 -0.03 0.00 -2.96 0.00 0.00 64.34 60.87 1x62 n VAL 28 Cb 0.00 -1.61 -0.01 0.00 -1.06 0.00 0.00 33.84 31.16 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 -1.02 -0.11 -0.49 1.45 -0.12 -1.26 -4.61 117.98 111.82 1x62 s PHE 29 Ca 0.56 -0.19 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 1x62 s PHE 29 Cb -0.56 0.64 0.11 0.00 -0.63 0.00 0.00 43.02 42.57 1x62 s PHE 29 CO 0.61 -0.81 0.41 0.08 -0.05 0.00 0.00 175.22 175.46 1x62 s VAL 30 N -3.20 4.88 -0.54 -2.49 1.01 0.12 -4.84 120.40 115.34 1x62 s VAL 30 Ca 0.13 -1.44 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 1x62 s VAL 30 Cb -0.01 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1x62 s VAL 30 CO 0.02 -0.73 1.05 -0.75 0.00 0.00 0.00 175.10 174.69 1x62 s LYS 31 N 1.54 3.46 0.57 2.72 2.36 -1.26 -1.77 119.74 127.36 1x62 s LYS 31 Ca 0.04 0.06 -0.08 0.00 -2.55 0.00 0.00 55.97 53.44 1x62 s LYS 31 Cb -0.27 -4.01 -0.02 0.00 -1.05 0.00 0.00 37.83 32.49 1x62 s LYS 31 CO 0.03 -1.51 0.92 -0.51 1.55 0.00 0.00 175.35 175.83 1x62 s LEU 32 N 4.33 3.32 0.00 5.43 2.01 0.12 -4.99 118.68 128.90 1x62 s LEU 32 Ca 0.37 1.00 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1x62 s LEU 32 Cb -0.10 -3.92 0.00 0.00 0.01 0.00 0.00 46.19 42.18 1x62 s LEU 32 CO 0.24 -0.89 0.50 -1.14 1.01 0.00 0.00 176.35 176.07 1x62 n ARG 33 N -2.57 0.00 -0.07 1.70 0.63 -1.26 -2.75 116.66 112.35 1x62 n ARG 33 Ca 0.04 0.50 0.03 0.00 -0.92 0.00 0.00 57.85 57.50 1x62 n ARG 33 Cb 0.56 -0.81 0.07 0.00 0.45 0.00 0.00 32.46 32.73 1x62 n ARG 33 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x62 n ASP 34 N -1.95 2.32 -4.35 6.15 2.03 -1.26 -5.03 116.55 114.45 1x62 n ASP 34 Ca 0.00 -2.27 -0.23 0.00 0.52 0.00 0.00 54.79 52.81 1x62 n ASP 34 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x62 s ARG 35 N -1.47 1.76 -0.06 -0.67 1.81 -1.11 -5.17 118.95 114.05 1x62 s ARG 35 Ca 0.12 -2.02 -0.04 0.00 -1.72 0.00 0.00 55.73 52.07 1x62 s ARG 35 Cb 0.09 -0.79 0.02 0.00 -0.45 0.00 0.00 34.95 33.82 1x62 s ARG 35 CO 0.04 -0.29 0.14 -1.01 -0.68 0.00 0.00 175.30 173.49 1x62 s HIS 36 N -3.27 -0.16 0.06 -0.53 3.76 -1.26 0.11 115.29 114.01 1x62 s HIS 36 Ca 0.31 0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 55.54 1x62 s HIS 36 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.76 1x62 s HIS 36 CO 0.15 -0.11 0.19 1.03 -0.85 0.00 0.00 174.74 175.15 1x62 s ARG 37 N 0.47 0.76 0.90 1.40 0.52 -0.73 -1.38 118.95 120.90 1x62 s ARG 37 Ca -0.03 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.30 1x62 s ARG 37 Cb -0.05 0.31 0.14 0.00 0.52 0.00 0.00 34.95 35.87 1x62 s ARG 37 CO -0.02 -0.23 1.10 -1.01 0.02 0.00 0.00 175.30 175.16 1x62 s HIS 38 N -3.11 2.08 -1.00 -0.53 3.76 -1.26 -0.71 115.29 114.52 1x62 s HIS 38 Ca -0.01 1.46 0.14 0.00 -0.15 0.00 0.00 55.06 56.50 1x62 s HIS 38 Cb 0.01 -3.17 0.61 0.00 1.11 0.00 0.00 32.58 31.14 1x62 s HIS 38 CO -0.07 -2.55 1.46 -0.35 -0.85 0.00 0.00 174.74 172.38 1x62 n PRO 39 N -4.02 0.00 -0.05 8.40 -0.04 -1.26 -1.90 135.00 136.13 1x62 n PRO 39 Ca 0.08 0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1x62 n PRO 39 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.12 0.19 0.54 0.28 -1.26 -4.53 120.64 116.48 1x62 n GLU 40 Ca 0.03 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 1x62 n GLU 40 Cb 0.17 -1.25 0.26 0.00 1.43 0.00 0.00 31.44 32.05 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 -3.40 0.00 3.20 -1.61 -3.41 116.97 111.75 1x62 h TYR 42 Ca -0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1x62 h TYR 42 Cb 1.01 0.00 0.20 0.00 1.54 0.00 0.00 36.73 39.48 1x62 h TYR 42 CO 0.00 0.00 -0.47 1.33 -1.64 0.00 0.00 178.16 177.38 1x62 n VAL 43 N -2.83 0.66 -1.42 1.81 0.24 -1.22 -4.50 118.33 111.07 1x62 n VAL 43 Ca 0.05 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.73 1x62 n VAL 43 Cb 0.97 -0.69 0.06 0.00 -1.47 0.00 0.00 33.84 32.71 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 0.02 0.92 0.45 0.00 2.02 -1.88 -2.99 112.91 111.44 1x62 h THR 45 Ca -0.46 -2.69 -0.02 0.00 0.77 0.00 0.00 66.41 64.00 1x62 h THR 45 Cb 1.37 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1x62 h THR 45 CO 0.46 0.69 -0.21 -0.78 0.37 0.00 0.00 175.52 176.04 1x62 h ASP 46 N 0.03 -0.51 0.00 4.18 3.58 -1.92 -3.42 116.42 118.36 1x62 h ASP 46 Ca -0.29 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1x62 h ASP 46 Cb 2.00 0.13 0.00 0.00 1.72 0.00 0.00 39.33 43.18 1x62 h ASP 46 CO 0.10 -0.22 -0.49 0.00 -2.88 0.00 0.00 179.24 175.75 1x62 n GLY 48 N 1.55 0.83 3.84 0.00 0.00 -1.13 -4.97 105.19 105.33 1x62 n GLY 48 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.61 5.22 -0.24 2.61 -1.32 -1.26 -4.64 115.64 115.40 1x62 s THR 49 Ca 0.00 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 1x62 s THR 49 Cb 0.00 -3.32 -0.06 0.00 -1.51 0.00 0.00 72.50 67.62 1x62 s THR 49 CO 0.00 0.52 2.23 -3.20 -2.21 0.00 0.00 174.62 171.95 1x62 n ASN 50 N 1.67 3.12 -0.92 8.08 2.85 -1.26 -1.53 115.26 127.27 1x62 n ASN 50 Ca -0.17 0.21 0.04 0.00 -0.11 0.00 0.00 54.58 54.55 1x62 n ASN 50 Cb 0.54 -1.53 0.17 0.00 1.24 0.00 0.00 39.78 40.20 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x62 n LEU 51 N 11.60 2.57 -0.06 1.20 4.77 -1.26 -4.18 117.00 131.64 1x62 n LEU 51 Ca 0.31 -1.30 -0.10 0.00 -0.03 0.00 0.00 56.01 54.89 1x62 n LEU 51 Cb 0.43 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1x62 n LEU 51 CO 0.67 0.42 0.89 0.50 -1.33 0.00 0.00 177.39 178.55 1x62 h LYS 52 N 1.81 0.33 0.02 3.23 3.64 -1.89 -1.29 116.57 122.42 1x62 h LYS 52 Ca 0.00 -0.05 -0.39 0.00 -1.27 0.00 0.00 60.65 58.94 1x62 h LYS 52 Cb 0.88 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1x62 h LYS 52 CO 0.14 0.34 -2.40 1.04 -2.27 0.00 0.00 179.45 176.29 1x62 n GLN 53 N -4.84 0.65 0.29 1.90 6.02 -1.26 -4.58 117.38 115.56 1x62 n GLN 53 Ca -0.03 0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 56.99 1x62 n GLN 53 Cb 0.10 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 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 -0.15 -0.70 0.00 -1.09 1.57 -1.73 -3.50 116.57 110.98 1x62 h LYS 54 Ca -0.57 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1x62 h LYS 54 Cb 1.86 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1x62 h LYS 54 CO -0.12 -0.41 0.00 0.41 -0.57 0.00 0.00 179.45 178.76 1x62 n GLY 55 N -0.99 3.38 3.40 3.86 0.00 -0.48 -4.88 105.19 109.47 1x62 n GLY 55 Ca -0.12 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.88 1.93 0.10 1.61 -3.43 -1.26 -4.12 115.29 107.24 1x62 s HIS 56 Ca 0.00 -0.52 0.06 0.00 -0.80 0.00 0.00 55.06 53.79 1x62 s HIS 56 Cb 0.00 -0.92 -0.03 0.00 -1.43 0.00 0.00 32.58 30.19 1x62 s HIS 56 CO 0.00 0.45 -0.15 -0.06 -2.00 0.00 0.00 174.74 172.98 1x62 s PHE 57 N -2.84 1.37 -0.42 0.38 0.40 0.46 -4.89 117.98 112.45 1x62 s PHE 57 Ca 0.26 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.92 1x62 s PHE 57 Cb -0.01 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1x62 s PHE 57 CO 0.10 0.11 0.48 -0.06 0.70 0.00 0.00 175.22 176.55 1x62 s PHE 58 N -1.60 3.15 -0.11 0.36 0.08 -1.26 -2.66 117.98 115.94 1x62 s PHE 58 Ca 0.03 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 1x62 s PHE 58 Cb -0.08 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1x62 s PHE 58 CO 0.03 -0.73 0.10 0.08 -0.10 0.00 0.00 175.22 174.60 1x62 s VAL 59 N 2.27 -0.14 -1.39 -0.44 1.01 -0.81 -4.86 120.40 116.05 1x62 s VAL 59 Ca 0.14 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1x62 s VAL 59 Cb -0.16 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1x62 s VAL 59 CO 0.15 -0.04 1.12 -0.62 0.00 0.00 0.00 175.10 175.71 1x62 n GLU 60 N 5.30 -7.26 -2.57 2.72 -0.58 -1.26 -1.38 120.64 115.60 1x62 n GLU 60 Ca -0.05 0.77 -0.19 0.00 -0.42 0.00 0.00 57.16 57.27 1x62 n GLU 60 Cb 0.50 -5.78 0.01 0.00 -0.57 0.00 0.00 31.44 25.60 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 -2.98 -5.41 -4.14 1.62 2.03 -1.26 -4.99 116.55 101.42 1x62 n ASP 61 Ca -0.01 -0.11 -0.20 0.00 0.52 0.00 0.00 54.79 54.99 1x62 n ASP 61 Cb 0.56 -4.38 -0.09 0.00 -0.72 0.00 0.00 41.12 36.49 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 -5.16 1.63 -0.01 -0.67 -1.52 -0.48 -5.11 119.66 108.33 1x62 s GLN 62 Ca 0.10 -1.93 0.08 0.00 -1.95 0.00 0.00 55.36 51.66 1x62 s GLN 62 Cb -0.05 -0.33 -0.02 0.00 -0.22 0.00 0.00 33.01 32.39 1x62 s GLN 62 CO 0.13 -0.39 -0.25 0.96 -0.25 0.00 0.00 175.29 175.49 1x62 s ILE 63 N -3.52 2.00 0.23 1.08 -4.36 -1.25 -1.92 121.20 113.46 1x62 s ILE 63 Ca 0.34 -1.12 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 1x62 s ILE 63 Cb 0.06 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 42.10 1x62 s ILE 63 CO 0.16 0.53 0.45 -0.31 0.24 0.00 0.00 174.94 176.01 1x62 s TYR 64 N -0.62 0.37 0.28 1.37 2.02 -1.09 -3.09 117.35 116.60 1x62 s TYR 64 Ca 0.10 -0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 55.91 1x62 s TYR 64 Cb -0.10 0.14 -0.09 0.00 -0.40 0.00 0.00 41.96 41.52 1x62 s TYR 64 CO -0.01 -0.94 0.73 0.00 -1.57 0.00 0.00 175.55 173.76 1x62 h GLU 66 N 2.69 0.01 0.23 0.00 4.81 -1.90 0.62 114.58 121.03 1x62 h GLU 66 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1x62 h GLU 66 Cb 1.18 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1x62 h GLU 66 CO 0.65 0.00 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.51 1x62 h LYS 67 N 0.01 -0.41 0.59 1.92 3.64 -1.95 -1.86 116.57 118.51 1x62 h LYS 67 Ca 0.73 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 60.11 1x62 h LYS 67 Cb 1.76 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.67 1x62 h LYS 67 CO -0.85 -0.27 -0.29 0.45 -2.27 0.00 0.00 179.45 176.23 1x62 h HIS 68 N -0.42 -0.74 -0.77 1.91 3.86 -1.47 -3.07 115.15 114.45 1x62 h HIS 68 Ca -0.03 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1x62 h HIS 68 Cb 0.36 0.24 -0.11 0.00 1.06 0.00 0.00 27.41 28.96 1x62 h HIS 68 CO -0.11 -0.42 -0.35 0.00 0.86 0.00 0.00 177.93 177.91 1x62 n ALA 69 N -2.50 -0.22 -0.22 2.45 0.00 0.20 0.15 120.51 120.37 1x62 n ALA 69 Ca -0.12 0.73 0.01 0.00 0.00 0.00 0.00 53.44 54.06 1x62 n ALA 69 Cb 0.34 -0.27 0.13 0.00 0.00 0.00 0.00 19.45 19.65 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 0.37 -0.54 0.00 3.08 -1.30 0.23 114.38 116.22 1x62 h ARG 70 Ca 0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1x62 h ARG 70 Cb 0.41 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1x62 h ARG 70 CO -0.75 0.24 0.33 0.93 -1.07 0.00 0.00 179.97 179.66 1x62 h GLU 71 N 0.38 0.72 0.34 0.04 5.08 0.14 0.19 114.58 121.47 1x62 h GLU 71 Ca 0.34 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1x62 h GLU 71 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x62 h GLU 71 CO -0.36 0.50 -0.16 0.00 -1.00 0.00 0.00 179.01 178.00 1x62 h ARG 72 N 0.74 -0.43 -0.38 2.33 3.08 0.74 0.27 114.38 120.73 1x62 h ARG 72 Ca 0.20 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 1x62 h ARG 72 Cb -0.04 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1x62 h ARG 72 CO -0.04 -0.19 -0.17 -0.24 -1.07 0.00 0.00 179.97 178.26 1x62 h VAL 73 N -0.62 1.26 0.01 2.04 3.04 -1.15 -3.16 116.25 117.67 1x62 h VAL 73 Ca -0.05 -1.23 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 1x62 h VAL 73 Cb 0.45 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1x62 h VAL 73 CO 0.08 0.41 -0.01 -1.28 -1.01 0.00 0.00 177.57 175.76 1x62 h SER 74 N 0.63 -0.01 -0.78 3.17 0.87 -0.55 -3.45 113.55 113.43 1x62 h SER 74 Ca 0.10 -0.35 -0.66 0.00 -1.23 0.00 0.00 61.79 59.65 1x62 h SER 74 Cb 0.64 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1x62 h SER 74 CO 0.04 0.34 0.38 0.61 -0.53 0.00 0.00 176.83 177.68 1x62 n GLY 75 N -0.13 0.03 3.72 5.77 0.00 0.93 -4.82 105.19 110.69 1x62 n GLY 75 Ca -0.08 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 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 1.59 4.35 0.45 1.61 0.04 -1.26 -5.00 135.00 136.78 1x62 s PRO 76 Ca 0.78 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.93 1x62 s PRO 76 Cb -1.11 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.16 1x62 s PRO 76 CO 0.58 -0.37 0.24 -1.54 0.04 0.00 0.00 177.00 175.95 1x62 s SER 77 N 0.88 4.52 0.19 6.66 1.04 -1.26 -5.03 113.70 120.69 1x62 s SER 77 Ca 0.62 -1.12 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1x62 s SER 77 Cb -0.36 -0.21 0.14 0.00 0.10 0.00 0.00 66.02 65.70 1x62 s SER 77 CO 0.32 -0.71 1.62 0.28 0.98 0.00 0.00 173.24 175.74 1x62 h SER 78 N 1.22 -0.76 0.00 7.02 0.02 -2.05 -3.56 113.55 115.44 1x62 h SER 78 Ca -0.41 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1x62 h SER 78 Cb 1.27 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1x62 h SER 78 CO 0.66 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.71