#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x62 n SER 2 N 0.00 3.66 -0.11 1.61 3.41 -1.26 -4.94 113.62 115.99 1x62 n SER 2 Ca 0.00 1.18 -0.20 0.00 -0.26 0.00 0.00 58.87 59.60 1x62 n SER 2 Cb 0.00 -1.58 -0.09 0.00 -0.26 0.00 0.00 64.21 62.28 1x62 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x62 n SER 3 N 1.40 1.88 0.00 4.04 3.41 -1.26 -5.12 113.62 117.97 1x62 n SER 3 Ca 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1x62 n SER 3 Cb 0.37 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1x62 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x62 n GLY 4 N 1.42 -1.05 3.33 5.00 0.00 -1.26 -5.08 105.19 107.56 1x62 n GLY 4 Ca -0.32 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.92 2.66 -0.17 1.61 1.04 -1.26 -5.08 113.70 111.58 1x62 s SER 5 Ca 0.00 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.43 1x62 s SER 5 Cb 0.00 -0.15 -0.08 0.00 0.10 0.00 0.00 66.02 65.88 1x62 s SER 5 CO 0.00 -0.04 -0.12 -1.20 0.98 0.00 0.00 173.24 172.86 1x62 n SER 6 N 0.29 1.85 0.00 7.02 7.64 -1.26 -5.04 113.62 124.13 1x62 n SER 6 Ca -0.13 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1x62 n SER 6 Cb 0.57 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1x62 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x62 n GLY 7 N 1.52 0.28 0.08 0.23 0.00 -1.26 -5.07 105.19 100.97 1x62 n GLY 7 Ca -0.18 0.69 -0.05 0.00 0.00 0.00 0.00 46.02 46.48 1x62 n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x62 h SER 8 N 0.00 -0.05 -2.80 1.61 0.87 -2.05 -3.46 113.55 107.68 1x62 h SER 8 Ca 0.00 -0.31 -0.65 0.00 -1.23 0.00 0.00 61.79 59.61 1x62 h SER 8 Cb 0.00 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1x62 h SER 8 CO 0.00 0.59 -0.50 0.27 -0.53 0.00 0.00 176.83 176.66 1x62 s ILE 9 N -2.04 5.41 0.29 2.23 -0.00 -1.26 -5.10 121.20 120.73 1x62 s ILE 9 Ca -0.07 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.65 60.42 1x62 s ILE 9 Cb -0.01 -3.49 -0.05 0.00 -0.00 0.00 0.00 42.46 38.91 1x62 s ILE 9 CO 0.25 0.38 0.56 -0.83 -0.00 0.00 0.00 174.94 175.30 1x62 s GLY 10 N -1.77 1.84 0.18 6.27 0.00 -1.26 -5.11 107.32 107.48 1x62 s GLY 10 Ca 0.25 -0.57 0.11 0.00 0.00 0.00 0.00 44.72 44.51 1x62 s GLY 10 CO 0.16 -0.46 -0.23 0.54 0.00 0.00 0.00 173.10 173.11 1x62 s ASN 11 N -3.19 3.48 -0.20 1.64 2.20 -1.26 -5.05 114.94 112.56 1x62 s ASN 11 Ca 0.44 -0.82 -0.04 0.00 -0.94 0.00 0.00 52.86 51.50 1x62 s ASN 11 Cb -0.11 -0.29 -0.21 0.00 -2.00 0.00 0.00 41.25 38.65 1x62 s ASN 11 CO 0.30 0.13 0.04 0.00 -2.94 0.00 0.00 177.10 174.64 1x62 n ALA 12 N 0.38 1.15 -0.26 3.54 0.00 -1.26 -4.34 120.51 119.72 1x62 n ALA 12 Ca -0.13 -0.85 0.24 0.00 0.00 0.00 0.00 53.44 52.70 1x62 n ALA 12 Cb 0.55 -0.36 0.45 0.00 0.00 0.00 0.00 19.45 20.10 1x62 n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x62 n GLN 13 N -3.49 -0.05 -1.76 0.00 1.13 -1.26 -4.37 117.38 107.59 1x62 n GLN 13 Ca -0.40 1.12 -0.41 0.00 -1.94 0.00 0.00 57.00 55.37 1x62 n GLN 13 Cb 0.99 -2.00 -0.00 0.00 0.11 0.00 0.00 30.24 29.34 1x62 n GLN 13 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1x62 n LYS 14 N -4.86 2.58 -1.54 -1.09 2.85 -1.26 -4.97 118.16 109.87 1x62 n LYS 14 Ca 0.30 0.91 -0.31 0.00 -1.05 0.00 0.00 58.31 58.15 1x62 n LYS 14 Cb 1.00 -2.61 0.06 0.00 -0.65 0.00 0.00 35.03 32.83 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 -1.76 3.17 -0.35 -5.58 2.01 -1.26 -4.95 118.68 109.96 1x62 s LEU 15 Ca 0.54 1.75 -0.28 0.00 0.01 0.00 0.00 54.13 56.15 1x62 s LEU 15 Cb -0.49 -4.51 -0.01 0.00 0.01 0.00 0.00 46.19 41.18 1x62 s LEU 15 CO 0.62 -1.63 1.70 -2.16 1.01 0.00 0.00 176.35 175.90 1x62 s PRO 16 N -4.78 3.39 -0.00 1.29 0.04 -1.26 -4.47 135.00 129.21 1x62 s PRO 16 Ca 0.61 1.31 -0.36 0.00 0.04 0.00 0.00 61.00 62.59 1x62 s PRO 16 Cb -0.16 -4.16 -0.14 0.00 0.04 0.00 0.00 34.50 30.08 1x62 s PRO 16 CO 0.52 -1.78 1.62 -1.33 0.04 0.00 0.00 177.00 176.06 1x62 n MET 17 N 8.35 1.71 -1.38 4.56 2.81 -1.26 -2.53 117.12 129.37 1x62 n MET 17 Ca 0.21 0.62 -0.35 0.00 -1.81 0.00 0.00 57.70 56.38 1x62 n MET 17 Cb 0.47 -2.36 0.10 0.00 -0.71 0.00 0.00 33.22 30.72 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 -0.31 0.23 0.58 0.00 3.58 -1.59 0.12 116.42 119.03 1x62 h ASP 19 Ca -0.48 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 56.45 1x62 h ASP 19 Cb 1.31 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1x62 h ASP 19 CO 0.49 0.68 -0.47 0.50 -2.88 0.00 0.00 179.24 177.56 1x62 h LYS 20 N -0.22 -0.98 0.00 0.28 3.64 -1.90 -3.40 116.57 114.00 1x62 h LYS 20 Ca 0.01 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1x62 h LYS 20 Cb 0.61 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1x62 h LYS 20 CO 0.02 -0.65 -0.11 0.00 -2.27 0.00 0.00 179.45 176.45 1x62 n GLY 22 N 1.56 0.80 0.01 0.00 0.00 0.41 -4.86 105.19 103.11 1x62 n GLY 22 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1x62 n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x62 n THR 23 N 0.00 0.19 0.00 2.61 -2.24 -1.26 -4.62 114.28 108.95 1x62 n THR 23 Ca 0.00 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1x62 n THR 23 Cb 0.00 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 1x62 n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x62 n GLY 24 N 1.54 -1.08 3.54 3.38 0.00 -1.26 -4.61 105.19 106.70 1x62 n GLY 24 Ca -0.02 0.93 -0.39 0.00 0.00 0.00 0.00 46.02 46.54 1x62 n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x62 n ILE 25 N 0.00 -0.00 -3.96 -0.61 5.41 -1.05 -4.90 119.36 114.25 1x62 n ILE 25 Ca 0.00 -0.59 -0.35 0.00 1.00 0.00 0.00 62.75 62.82 1x62 n ILE 25 Cb 0.00 -2.30 -0.09 0.00 -0.71 0.00 0.00 39.64 36.54 1x62 n ILE 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x62 s VAL 26 N 10.85 4.90 0.00 1.39 0.11 -1.26 -4.44 120.40 131.95 1x62 s VAL 26 Ca 1.06 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.11 1x62 s VAL 26 Cb -0.43 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1x62 s VAL 26 CO 0.33 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.17 1x62 n GLY 27 N 3.46 0.71 3.55 6.54 0.00 -1.26 -4.81 105.19 113.37 1x62 n GLY 27 Ca -0.17 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 2.90 -3.83 1.61 3.14 -1.26 -5.00 118.33 115.90 1x62 n VAL 28 Ca 0.00 -0.50 -0.05 0.00 -2.96 0.00 0.00 64.34 60.83 1x62 n VAL 28 Cb 0.00 -0.93 0.01 0.00 -1.06 0.00 0.00 33.84 31.86 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 -1.57 0.01 -0.34 1.45 -0.71 -1.26 -4.43 117.98 111.12 1x62 s PHE 29 Ca 0.71 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 56.17 1x62 s PHE 29 Cb -0.45 0.71 0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1x62 s PHE 29 CO 0.51 -1.06 0.06 0.08 -1.34 0.00 0.00 175.22 173.48 1x62 s VAL 30 N -2.62 2.55 -0.30 -2.49 1.01 -0.73 -4.80 120.40 113.01 1x62 s VAL 30 Ca 0.17 -2.12 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 1x62 s VAL 30 Cb -0.03 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1x62 s VAL 30 CO 0.06 -0.51 1.27 -0.75 0.00 0.00 0.00 175.10 175.17 1x62 s LYS 31 N 1.01 3.93 0.72 2.72 2.36 -1.26 -2.52 119.74 126.71 1x62 s LYS 31 Ca 0.07 1.21 -0.11 0.00 -2.55 0.00 0.00 55.97 54.59 1x62 s LYS 31 Cb -0.20 -3.86 0.04 0.00 -1.05 0.00 0.00 37.83 32.75 1x62 s LYS 31 CO -0.06 -1.09 1.10 -0.51 1.55 0.00 0.00 175.35 176.33 1x62 s LEU 32 N 4.27 2.82 0.00 5.43 1.43 0.28 -4.98 118.68 127.93 1x62 s LEU 32 Ca 0.55 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1x62 s LEU 32 Cb -0.16 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1x62 s LEU 32 CO 0.22 -1.49 0.46 0.54 0.23 0.00 0.00 176.35 176.31 1x62 n ARG 33 N -3.05 0.00 -0.04 1.70 3.00 -1.26 -2.91 116.66 114.10 1x62 n ARG 33 Ca 0.07 0.46 0.01 0.00 -0.01 0.00 0.00 57.85 58.38 1x62 n ARG 33 Cb 0.58 -0.76 0.03 0.00 0.00 0.00 0.00 32.46 32.32 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 -1.75 2.12 -4.34 0.55 8.00 -1.26 -5.04 116.55 114.83 1x62 n ASP 34 Ca 0.00 -1.92 -0.24 0.00 0.71 0.00 0.00 54.79 53.34 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 1.80 0.04 -1.24 1.81 -1.15 -5.17 118.95 114.11 1x62 s ARG 35 Ca 0.05 -2.05 0.04 0.00 -1.72 0.00 0.00 55.73 52.05 1x62 s ARG 35 Cb 0.03 -0.80 -0.02 0.00 -0.45 0.00 0.00 34.95 33.70 1x62 s ARG 35 CO 0.04 -0.32 -0.12 -1.01 -0.68 0.00 0.00 175.30 173.21 1x62 s HIS 36 N -3.24 1.03 -0.06 -0.53 3.76 -1.26 0.99 115.29 115.97 1x62 s HIS 36 Ca 0.29 -0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 54.65 1x62 s HIS 36 Cb 0.06 -0.61 0.04 0.00 1.11 0.00 0.00 32.58 33.18 1x62 s HIS 36 CO 0.14 0.01 0.44 1.03 -0.85 0.00 0.00 174.74 175.51 1x62 s ARG 37 N -1.15 0.73 0.96 1.40 0.52 -1.05 -1.41 118.95 118.95 1x62 s ARG 37 Ca -0.01 0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 1x62 s ARG 37 Cb -0.08 0.34 0.12 0.00 0.52 0.00 0.00 34.95 35.85 1x62 s ARG 37 CO 0.01 -0.19 0.82 0.72 0.02 0.00 0.00 175.30 176.68 1x62 n HIS 38 N 1.59 -0.24 0.62 -0.53 8.25 -1.26 -1.78 115.22 121.86 1x62 n HIS 38 Ca -0.19 0.29 0.07 0.00 -0.26 0.00 0.00 57.72 57.63 1x62 n HIS 38 Cb 0.56 -1.88 0.34 0.00 1.12 0.00 0.00 29.99 30.14 1x62 n HIS 38 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x62 n PRO 39 N -3.28 0.13 -0.01 -0.41 -0.04 -1.26 -2.49 135.00 127.64 1x62 n PRO 39 Ca 0.09 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1x62 n PRO 39 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.37 1.47 0.00 0.54 0.28 -1.26 -4.58 120.64 115.72 1x62 n GLU 40 Ca 0.06 -0.01 0.14 0.00 -0.16 0.00 0.00 57.16 57.18 1x62 n GLU 40 Cb 0.14 -1.06 0.59 0.00 1.43 0.00 0.00 31.44 32.54 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 -1.37 0.00 -1.79 0.00 9.36 -1.04 -4.78 117.16 117.54 1x62 n TYR 42 Ca 0.09 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.00 1x62 n TYR 42 Cb 0.31 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.04 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 4.52 0.70 2.97 -7.23 -1.23 -3.95 120.40 114.18 1x62 s VAL 43 Ca 0.12 0.82 -0.16 0.00 -1.81 0.00 0.00 61.98 60.95 1x62 s VAL 43 Cb 0.06 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 1x62 s VAL 43 CO 0.09 -1.07 0.84 0.00 -0.31 0.00 0.00 175.10 174.66 1x62 h THR 45 N -0.15 1.14 0.28 0.00 2.02 -1.87 -2.97 112.91 111.37 1x62 h THR 45 Ca -0.47 -2.89 -0.01 0.00 0.77 0.00 0.00 66.41 63.81 1x62 h THR 45 Cb 1.35 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1x62 h THR 45 CO 0.46 0.74 -0.13 -0.78 0.37 0.00 0.00 175.52 176.17 1x62 h ASP 46 N 0.03 -0.32 0.00 4.18 1.82 -1.92 -3.43 116.42 116.78 1x62 h ASP 46 Ca -0.21 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1x62 h ASP 46 Cb 1.96 0.08 0.00 0.00 0.68 0.00 0.00 39.33 42.05 1x62 h ASP 46 CO 0.12 -0.11 -0.43 0.00 -1.61 0.00 0.00 179.24 177.21 1x62 n GLY 48 N 1.58 0.71 3.78 0.00 0.00 -1.12 -4.95 105.19 105.19 1x62 n GLY 48 Ca -0.06 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.02 4.63 -0.30 2.61 -1.32 -1.26 -4.67 115.64 115.30 1x62 s THR 49 Ca 0.00 -0.65 -0.28 0.00 -1.21 0.00 0.00 61.69 59.55 1x62 s THR 49 Cb 0.00 -3.20 -0.05 0.00 -1.51 0.00 0.00 72.50 67.74 1x62 s THR 49 CO 0.00 0.19 2.18 0.21 -2.21 0.00 0.00 174.62 174.98 1x62 s ASN 50 N -2.22 5.32 -0.02 8.08 3.84 -1.26 -2.29 114.94 126.39 1x62 s ASN 50 Ca 0.28 1.59 0.11 0.00 0.21 0.00 0.00 52.86 55.05 1x62 s ASN 50 Cb -0.12 -2.51 0.36 0.00 -0.55 0.00 0.00 41.25 38.43 1x62 s ASN 50 CO 0.20 -2.11 1.27 0.18 -2.79 0.00 0.00 177.10 173.84 1x62 n LEU 51 N 12.32 2.37 -0.14 3.21 4.77 -1.25 -4.43 117.00 133.84 1x62 n LEU 51 Ca 0.30 -1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.00 1x62 n LEU 51 Cb 0.47 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1x62 n LEU 51 CO 0.68 0.51 0.59 0.50 -1.33 0.00 0.00 177.39 178.34 1x62 h LYS 52 N 2.27 -0.27 0.00 3.23 3.64 -1.87 -1.21 116.57 122.35 1x62 h LYS 52 Ca 0.00 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1x62 h LYS 52 Cb 0.67 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1x62 h LYS 52 CO 0.05 -0.18 -1.34 1.04 -2.27 0.00 0.00 179.45 176.75 1x62 n GLN 53 N -5.42 0.53 -0.35 1.90 6.02 -1.26 -4.49 117.38 114.31 1x62 n GLN 53 Ca 0.00 0.33 0.10 0.00 -0.01 0.00 0.00 57.00 57.42 1x62 n GLN 53 Cb 0.35 -1.54 0.20 0.00 1.02 0.00 0.00 30.24 30.28 1x62 n GLN 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x62 n LYS 54 N -4.43 -0.08 0.00 -1.09 5.02 -1.25 -4.92 118.16 111.41 1x62 n LYS 54 Ca -0.25 1.52 0.00 0.00 -2.02 0.00 0.00 58.31 57.56 1x62 n LYS 54 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1x62 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x62 n GLY 55 N -1.57 2.46 3.40 0.72 0.00 -0.46 -4.90 105.19 104.85 1x62 n GLY 55 Ca 0.19 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.66 1.84 0.30 1.61 -3.43 -1.26 -4.38 115.29 107.31 1x62 s HIS 56 Ca 0.00 -0.73 0.05 0.00 -0.80 0.00 0.00 55.06 53.58 1x62 s HIS 56 Cb 0.00 -1.03 -0.06 0.00 -1.43 0.00 0.00 32.58 30.06 1x62 s HIS 56 CO 0.00 0.23 -0.00 -0.06 -2.00 0.00 0.00 174.74 172.90 1x62 s PHE 57 N -3.09 1.94 -0.31 0.38 0.08 -0.79 -4.93 117.98 111.27 1x62 s PHE 57 Ca 0.28 -0.82 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 1x62 s PHE 57 Cb 0.04 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1x62 s PHE 57 CO 0.11 0.15 0.02 -0.06 -0.10 0.00 0.00 175.22 175.33 1x62 s PHE 58 N -3.15 3.24 -0.07 0.36 0.08 -1.26 -3.39 117.98 113.80 1x62 s PHE 58 Ca 0.32 -1.71 -0.03 0.00 0.12 0.00 0.00 56.93 55.64 1x62 s PHE 58 Cb 0.06 -2.15 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1x62 s PHE 58 CO 0.13 -0.77 0.10 0.08 -0.10 0.00 0.00 175.22 174.66 1x62 s VAL 59 N 1.30 -0.16 -1.46 -0.44 1.01 -0.82 -4.86 120.40 114.97 1x62 s VAL 59 Ca -0.04 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1x62 s VAL 59 Cb -0.19 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.00 1x62 s VAL 59 CO -0.00 0.13 1.07 -0.62 0.00 0.00 0.00 175.10 175.67 1x62 n GLU 60 N 5.31 -6.55 -2.57 2.72 -0.58 -1.26 -0.96 120.64 116.75 1x62 n GLU 60 Ca -0.04 0.69 -0.19 0.00 -0.42 0.00 0.00 57.16 57.21 1x62 n GLU 60 Cb 0.50 -5.65 0.01 0.00 -0.57 0.00 0.00 31.44 25.72 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 -2.91 -5.38 -4.12 1.62 2.03 -1.26 -4.99 116.55 101.54 1x62 n ASP 61 Ca 0.02 -0.11 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 1x62 n ASP 61 Cb 0.54 -4.35 -0.09 0.00 -0.72 0.00 0.00 41.12 36.50 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 -5.15 1.68 -0.01 -0.67 -0.21 -0.13 -5.16 119.66 110.00 1x62 s GLN 62 Ca 0.10 -1.97 0.07 0.00 0.02 0.00 0.00 55.36 53.58 1x62 s GLN 62 Cb -0.05 -0.37 -0.02 0.00 1.00 0.00 0.00 33.01 33.58 1x62 s GLN 62 CO 0.13 -0.41 -0.21 0.96 -2.12 0.00 0.00 175.29 173.64 1x62 s ILE 63 N -3.46 1.70 0.30 1.08 -4.36 -1.26 -1.95 121.20 113.25 1x62 s ILE 63 Ca 0.33 -0.94 -0.05 0.00 -0.26 0.00 0.00 60.65 59.73 1x62 s ILE 63 Cb 0.05 -1.41 -0.00 0.00 1.25 0.00 0.00 42.46 42.35 1x62 s ILE 63 CO 0.16 0.46 0.44 -0.31 0.24 0.00 0.00 174.94 175.94 1x62 s TYR 64 N -0.52 0.87 -0.01 1.37 2.02 -1.22 -2.53 117.35 117.33 1x62 s TYR 64 Ca 0.08 -1.14 -0.12 0.00 -0.37 0.00 0.00 57.07 55.52 1x62 s TYR 64 Cb -0.08 -0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 1x62 s TYR 64 CO -0.01 -1.05 0.35 0.00 -1.57 0.00 0.00 175.55 173.27 1x62 n GLU 66 N 1.66 -0.04 -0.02 0.00 2.13 -1.26 0.22 120.64 123.32 1x62 n GLU 66 Ca -0.14 0.94 -0.09 0.00 0.66 0.00 0.00 57.16 58.53 1x62 n GLU 66 Cb 0.53 -1.67 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 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 0.05 0.00 5.31 3.64 -1.96 -0.90 116.57 122.71 1x62 h LYS 67 Ca 0.56 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.90 1x62 h LYS 67 Cb 1.45 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1x62 h LYS 67 CO -0.53 0.03 -0.20 0.45 -2.27 0.00 0.00 179.45 176.93 1x62 h HIS 68 N 0.05 0.00 -0.70 1.91 3.86 0.22 -3.31 115.15 117.18 1x62 h HIS 68 Ca 0.07 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.39 1x62 h HIS 68 Cb 0.08 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.43 1x62 h HIS 68 CO -0.15 0.79 -0.38 0.00 0.86 0.00 0.00 177.93 179.05 1x62 h ALA 69 N -0.34 -0.08 -0.92 2.45 0.00 -0.15 0.64 119.26 120.86 1x62 h ALA 69 Ca -0.05 0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1x62 h ALA 69 Cb 0.79 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 1x62 h ALA 69 CO -0.03 -0.71 0.61 0.07 0.00 0.00 0.00 179.25 179.19 1x62 h ARG 70 N -0.13 0.35 -0.04 0.00 0.11 -1.32 0.38 114.38 113.73 1x62 h ARG 70 Ca 0.24 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.16 1x62 h ARG 70 Cb 0.56 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 1x62 h ARG 70 CO -0.77 0.23 -0.64 0.93 0.10 0.00 0.00 179.97 179.83 1x62 h GLU 71 N 0.37 0.14 -0.02 0.08 5.08 0.15 -3.27 114.58 117.11 1x62 h GLU 71 Ca 0.48 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1x62 h GLU 71 Cb 1.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1x62 h GLU 71 CO -0.17 0.73 -0.09 0.00 -1.00 0.00 0.00 179.01 178.48 1x62 h ARG 72 N 0.10 0.09 -1.52 2.33 3.08 0.10 -3.21 114.38 115.35 1x62 h ARG 72 Ca -0.01 -0.07 0.45 0.00 0.07 0.00 0.00 59.98 60.42 1x62 h ARG 72 Cb 1.14 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.13 1x62 h ARG 72 CO 0.09 0.74 1.08 1.33 -1.07 0.00 0.00 179.97 182.15 1x62 n VAL 73 N -4.67 -0.04 -0.30 2.04 0.24 -0.22 0.24 118.33 115.62 1x62 n VAL 73 Ca -0.09 1.26 0.09 0.00 -2.04 0.00 0.00 64.34 63.56 1x62 n VAL 73 Cb 0.38 -2.09 0.22 0.00 -1.47 0.00 0.00 33.84 30.88 1x62 n VAL 73 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1x62 h SER 74 N 0.00 -0.38 -3.98 -1.34 0.87 -1.69 -3.47 113.55 103.56 1x62 h SER 74 Ca 0.76 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.55 1x62 h SER 74 Cb 2.94 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 65.30 1x62 h SER 74 CO -0.08 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.59 1x62 n GLY 75 N -1.45 3.88 3.77 5.77 0.00 0.14 -5.11 105.19 112.18 1x62 n GLY 75 Ca 0.18 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.15 2.89 0.56 1.61 0.04 -1.26 -5.03 135.00 129.66 1x62 s PRO 76 Ca 0.00 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1x62 s PRO 76 Cb 0.00 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1x62 s PRO 76 CO 0.00 -1.18 0.95 -1.54 0.04 0.00 0.00 177.00 175.27 1x62 s SER 77 N -2.44 6.32 -0.08 6.66 1.04 -1.26 -4.96 113.70 118.99 1x62 s SER 77 Ca 0.68 1.31 -0.36 0.00 0.48 0.00 0.00 55.95 58.06 1x62 s SER 77 Cb -0.21 -2.42 -0.14 0.00 0.10 0.00 0.00 66.02 63.35 1x62 s SER 77 CO 0.39 -0.72 1.71 -1.54 0.98 0.00 0.00 173.24 174.06 1x62 n SER 78 N -2.34 2.83 0.00 7.02 3.41 -1.26 -5.34 113.62 117.94 1x62 n SER 78 Ca 0.05 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1x62 n SER 78 Cb 0.54 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1x62 n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49