#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 1.91 -3.90 1.61 7.64 -1.26 -4.99 113.62 114.64 1x62 n SER 2 Ca 0.00 0.37 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 1x62 n SER 2 Cb 0.00 -0.89 0.02 0.00 -1.01 0.00 0.00 64.21 62.32 1x62 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x62 n SER 3 N -4.31 -4.58 0.00 6.43 3.41 -1.26 -4.93 113.62 108.38 1x62 n SER 3 Ca -0.42 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1x62 n SER 3 Cb 0.78 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 61.06 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 -1.60 1.05 3.24 5.00 0.00 -1.26 -4.97 105.19 106.66 1x62 n GLY 4 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1x62 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x62 n SER 5 N 0.00 -5.03 -4.93 1.61 2.88 -1.26 -5.01 113.62 101.89 1x62 n SER 5 Ca 0.00 -0.47 -0.28 0.00 -1.33 0.00 0.00 58.87 56.79 1x62 n SER 5 Cb 0.00 -4.38 -0.03 0.00 -0.75 0.00 0.00 64.21 59.05 1x62 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x62 s SER 6 N -3.45 6.39 0.00 -3.46 0.15 -1.26 -5.04 113.70 107.04 1x62 s SER 6 Ca 0.40 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1x62 s SER 6 Cb -0.18 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1x62 s SER 6 CO 0.62 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.66 1x62 n GLY 7 N -0.53 3.10 3.71 9.45 0.00 -1.26 -5.11 105.19 114.54 1x62 n GLY 7 Ca -0.05 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1x62 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x62 s SER 8 N 0.00 7.19 -0.18 1.61 1.04 -1.26 -5.03 113.70 117.07 1x62 s SER 8 Ca 0.00 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.10 1x62 s SER 8 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1x62 s SER 8 CO 0.00 -0.41 0.49 0.27 0.98 0.00 0.00 173.24 174.57 1x62 s ILE 9 N 1.24 0.00 0.00 -1.02 -4.36 -1.26 -5.16 121.20 110.64 1x62 s ILE 9 Ca 0.55 -0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 1x62 s ILE 9 Cb -0.25 -0.69 0.00 0.00 1.25 0.00 0.00 42.46 42.77 1x62 s ILE 9 CO 0.27 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 176.06 1x62 n GLY 10 N 2.74 0.83 3.54 6.27 0.00 -1.26 -4.99 105.19 112.32 1x62 n GLY 10 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1x62 n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x62 n ASN 11 N 0.00 -0.69 -3.72 1.61 3.02 -1.26 -5.04 115.26 109.18 1x62 n ASN 11 Ca 0.00 0.48 -0.14 0.00 -0.03 0.00 0.00 54.58 54.89 1x62 n ASN 11 Cb 0.00 -1.33 -0.09 0.00 -0.61 0.00 0.00 39.78 37.75 1x62 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x62 s ALA 12 N -2.23 -1.08 0.21 5.41 0.00 -1.26 -5.13 121.76 117.68 1x62 s ALA 12 Ca 0.65 1.06 -0.32 0.00 0.00 0.00 0.00 51.96 53.34 1x62 s ALA 12 Cb -0.27 -0.50 -0.14 0.00 0.00 0.00 0.00 23.12 22.21 1x62 s ALA 12 CO 0.59 -0.23 1.39 1.04 0.00 0.00 0.00 175.76 178.55 1x62 n GLN 13 N 2.37 1.88 -1.72 0.00 6.02 -1.26 -4.87 117.38 119.80 1x62 n GLN 13 Ca -0.15 0.67 -0.43 0.00 -0.01 0.00 0.00 57.00 57.08 1x62 n GLN 13 Cb 0.57 -2.32 -0.02 0.00 1.02 0.00 0.00 30.24 29.49 1x62 n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1x62 n LYS 14 N 2.22 2.55 -4.81 -1.09 3.00 -1.26 -5.00 118.16 113.76 1x62 n LYS 14 Ca 0.13 0.91 -0.25 0.00 -0.00 0.00 0.00 58.31 59.11 1x62 n LYS 14 Cb 0.29 -2.68 -0.15 0.00 0.00 0.00 0.00 35.03 32.49 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1x62 s LEU 15 N -0.01 2.04 -0.85 3.14 1.43 -1.26 -5.08 118.68 118.09 1x62 s LEU 15 Ca 0.68 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 1x62 s LEU 15 Cb -0.54 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1x62 s LEU 15 CO 0.45 0.21 1.93 -2.16 0.23 0.00 0.00 176.35 177.01 1x62 s PRO 16 N -0.45 2.57 0.21 1.29 0.04 -1.26 -4.58 135.00 132.82 1x62 s PRO 16 Ca 0.07 -0.14 -0.32 0.00 0.04 0.00 0.00 61.00 60.65 1x62 s PRO 16 Cb -0.07 -4.95 -0.12 0.00 0.04 0.00 0.00 34.50 29.40 1x62 s PRO 16 CO -0.01 -3.27 1.70 0.00 0.04 0.00 0.00 177.00 175.46 1x62 n MET 17 N 8.91 2.72 -0.87 4.56 0.00 -1.26 -3.14 117.12 128.03 1x62 n MET 17 Ca 0.37 0.98 -0.33 0.00 0.00 0.00 0.00 57.70 58.72 1x62 n MET 17 Cb 0.48 -2.81 0.12 0.00 0.00 0.00 0.00 33.22 31.01 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x62 n ASP 19 N -1.94 2.00 0.24 0.00 2.03 -1.02 -2.91 116.55 114.94 1x62 n ASP 19 Ca 0.09 0.01 -0.17 0.00 0.52 0.00 0.00 54.79 55.23 1x62 n ASP 19 Cb 0.52 -0.56 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.18 -0.88 0.00 -0.67 3.64 -1.93 -3.36 116.57 113.19 1x62 h LYS 20 Ca -0.57 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1x62 h LYS 20 Cb 1.86 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.86 1x62 h LYS 20 CO -0.12 -0.59 -0.76 0.00 -2.27 0.00 0.00 179.45 175.72 1x62 n GLY 22 N 1.56 0.69 2.94 0.00 0.00 -1.15 -5.05 105.19 104.18 1x62 n GLY 22 Ca -0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.98 0.02 -0.25 2.61 -4.23 -1.25 -4.86 115.64 106.71 1x62 s THR 23 Ca 0.00 -0.18 -0.39 0.00 -1.18 0.00 0.00 61.69 59.94 1x62 s THR 23 Cb 0.00 -0.12 -0.15 0.00 1.34 0.00 0.00 72.50 73.57 1x62 s THR 23 CO 0.00 -0.10 1.79 0.61 -0.54 0.00 0.00 174.62 176.38 1x62 n GLY 24 N 2.73 0.98 3.84 3.99 0.00 -1.26 -1.16 105.19 114.31 1x62 n GLY 24 Ca -0.15 0.92 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 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 3.79 4.51 -0.12 -0.61 1.01 -1.19 -4.87 121.20 123.73 1x62 s ILE 25 Ca 0.98 1.25 -0.06 0.00 0.00 0.00 0.00 60.65 62.82 1x62 s ILE 25 Cb -0.99 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 37.83 1x62 s ILE 25 CO 0.63 -0.61 0.28 0.54 0.00 0.00 0.00 174.94 175.78 1x62 s VAL 26 N -2.53 -0.03 0.00 2.92 0.11 -1.26 -4.48 120.40 115.12 1x62 s VAL 26 Ca 0.59 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1x62 s VAL 26 Cb -0.10 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1x62 s VAL 26 CO 0.28 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 1x62 n GLY 27 N 4.17 0.48 3.76 6.54 0.00 -1.26 -4.87 105.19 114.01 1x62 n GLY 27 Ca -0.24 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 2.79 0.19 1.61 0.11 -1.26 -5.01 120.40 118.84 1x62 s VAL 28 Ca 0.00 0.77 -0.24 0.00 -2.93 0.00 0.00 61.98 59.59 1x62 s VAL 28 Cb 0.00 -3.49 0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1x62 s VAL 28 CO 0.00 0.17 0.90 0.72 -3.33 0.00 0.00 175.10 173.57 1x62 s PHE 29 N -0.92 -0.12 -0.43 1.54 -0.12 -1.26 -4.37 117.98 112.30 1x62 s PHE 29 Ca 0.50 -0.24 -0.08 0.00 -0.05 0.00 0.00 56.93 57.07 1x62 s PHE 29 Cb -0.39 0.67 0.10 0.00 -0.63 0.00 0.00 43.02 42.76 1x62 s PHE 29 CO 0.50 -0.95 0.27 0.08 -0.05 0.00 0.00 175.22 175.07 1x62 s VAL 30 N -3.34 4.01 -0.11 -2.49 1.01 -0.68 -4.81 120.40 113.98 1x62 s VAL 30 Ca 0.13 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1x62 s VAL 30 Cb -0.03 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1x62 s VAL 30 CO 0.04 -0.61 1.14 -0.75 0.00 0.00 0.00 175.10 174.91 1x62 s LYS 31 N 1.35 4.34 0.50 2.72 2.36 -1.26 -2.03 119.74 127.72 1x62 s LYS 31 Ca 0.04 1.55 0.00 0.00 -2.55 0.00 0.00 55.97 55.02 1x62 s LYS 31 Cb -0.24 -3.60 0.01 0.00 -1.05 0.00 0.00 37.83 32.96 1x62 s LYS 31 CO -0.00 -0.47 0.73 -0.51 1.55 0.00 0.00 175.35 176.64 1x62 s LEU 32 N 2.48 3.48 0.00 5.43 1.43 0.24 -4.98 118.68 126.76 1x62 s LEU 32 Ca 0.52 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1x62 s LEU 32 Cb -0.21 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1x62 s LEU 32 CO 0.18 -0.89 0.54 -1.14 0.23 0.00 0.00 176.35 175.27 1x62 n ARG 33 N -2.22 0.00 0.00 1.70 0.63 -1.26 -3.08 116.66 112.44 1x62 n ARG 33 Ca 0.04 0.54 0.01 0.00 -0.92 0.00 0.00 57.85 57.52 1x62 n ARG 33 Cb 0.58 -0.84 0.01 0.00 0.45 0.00 0.00 32.46 32.66 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x62 n ASP 34 N -2.23 0.98 -4.76 6.15 9.92 -1.26 -5.04 116.55 120.30 1x62 n ASP 34 Ca 0.00 -0.99 -0.29 0.00 -0.53 0.00 0.00 54.79 52.98 1x62 n ASP 34 Cb 0.00 0.20 -0.07 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.40 2.17 0.03 -1.24 1.81 -1.18 -5.16 118.95 114.98 1x62 s ARG 35 Ca 0.02 -2.18 0.01 0.00 -1.72 0.00 0.00 55.73 51.86 1x62 s ARG 35 Cb 0.02 -1.73 -0.02 0.00 -0.45 0.00 0.00 34.95 32.77 1x62 s ARG 35 CO 0.04 -0.31 -0.06 -1.01 -0.68 0.00 0.00 175.30 173.28 1x62 s HIS 36 N -2.78 0.50 0.19 -0.53 3.76 -1.26 0.80 115.29 115.97 1x62 s HIS 36 Ca 0.22 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.66 1x62 s HIS 36 Cb 0.03 -0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 1x62 s HIS 36 CO 0.12 -0.09 0.30 1.03 -0.85 0.00 0.00 174.74 175.26 1x62 s ARG 37 N -1.17 1.26 0.68 1.40 0.52 -0.86 -2.45 118.95 118.33 1x62 s ARG 37 Ca -0.08 -1.29 -0.11 0.00 -0.52 0.00 0.00 55.73 53.73 1x62 s ARG 37 Cb -0.08 0.38 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 1x62 s ARG 37 CO -0.00 -0.47 1.06 -1.01 0.02 0.00 0.00 175.30 174.90 1x62 s HIS 38 N -4.02 3.35 -0.93 -0.53 3.76 -1.26 -1.69 115.29 113.97 1x62 s HIS 38 Ca 0.23 1.23 0.15 0.00 -0.15 0.00 0.00 55.06 56.52 1x62 s HIS 38 Cb 0.03 -2.90 0.65 0.00 1.11 0.00 0.00 32.58 31.48 1x62 s HIS 38 CO 0.05 -1.06 1.49 -0.35 -0.85 0.00 0.00 174.74 174.02 1x62 n PRO 39 N -2.97 0.02 -0.03 8.40 -0.04 -1.26 -1.86 135.00 137.27 1x62 n PRO 39 Ca 0.07 0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1x62 n PRO 39 Cb 0.55 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.59 1.79 0.09 0.54 0.28 -1.26 -4.57 120.64 115.91 1x62 n GLU 40 Ca 0.03 -0.03 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1x62 n GLU 40 Cb 0.17 -1.20 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 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 -3.64 0.00 3.20 -1.61 -3.41 116.97 111.50 1x62 h TYR 42 Ca -0.01 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.33 1x62 h TYR 42 Cb 1.55 0.00 0.21 0.00 1.54 0.00 0.00 36.73 40.03 1x62 h TYR 42 CO 0.00 0.00 -0.31 1.33 -1.64 0.00 0.00 178.16 177.54 1x62 n VAL 43 N -2.95 0.34 -1.19 1.81 0.24 -1.23 -4.42 118.33 110.93 1x62 n VAL 43 Ca 0.08 -0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 1x62 n VAL 43 Cb 1.04 -0.76 0.08 0.00 -1.47 0.00 0.00 33.84 32.74 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 -0.58 0.92 0.25 0.00 2.02 -1.88 -3.08 112.91 110.56 1x62 h THR 45 Ca -0.45 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.03 1x62 h THR 45 Cb 1.33 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 1x62 h THR 45 CO 0.42 0.71 -0.12 -0.78 0.37 0.00 0.00 175.52 176.12 1x62 h ASP 46 N 0.04 -0.28 0.00 4.18 1.82 -1.92 -3.43 116.42 116.83 1x62 h ASP 46 Ca -0.29 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1x62 h ASP 46 Cb 2.00 0.07 0.00 0.00 0.68 0.00 0.00 39.33 42.09 1x62 h ASP 46 CO 0.11 -0.12 -0.46 0.00 -1.61 0.00 0.00 179.24 177.16 1x62 n GLY 48 N 1.59 0.79 3.88 0.00 0.00 -1.16 -4.95 105.19 105.34 1x62 n GLY 48 Ca -0.06 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 5.31 -0.39 2.61 -1.32 -1.26 -4.62 115.64 115.96 1x62 s THR 49 Ca 0.00 -0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 59.99 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 0.32 2.22 0.20 -2.21 0.00 0.00 174.62 175.15 1x62 s ASN 50 N -1.95 5.03 -0.02 8.08 -0.87 -1.26 -1.55 114.94 122.40 1x62 s ASN 50 Ca 0.27 1.32 0.04 0.00 -1.57 0.00 0.00 52.86 52.92 1x62 s ASN 50 Cb -0.13 -2.51 0.16 0.00 -0.02 0.00 0.00 41.25 38.75 1x62 s ASN 50 CO 0.19 -2.39 1.02 0.18 -2.57 0.00 0.00 177.10 173.53 1x62 n LEU 51 N 13.53 1.21 -0.00 0.60 4.77 -1.26 -4.30 117.00 131.55 1x62 n LEU 51 Ca 0.31 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.56 1x62 n LEU 51 Cb 0.50 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1x62 n LEU 51 CO 0.69 0.25 0.59 0.50 -1.33 0.00 0.00 177.39 178.09 1x62 h LYS 52 N 0.93 -0.47 0.01 3.23 3.64 -1.89 0.53 116.57 122.57 1x62 h LYS 52 Ca 0.00 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.08 1x62 h LYS 52 Cb 0.39 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1x62 h LYS 52 CO 0.03 -0.31 -1.82 1.04 -2.27 0.00 0.00 179.45 176.12 1x62 n GLN 53 N -5.43 0.60 -0.10 1.90 1.13 -1.26 -4.45 117.38 109.77 1x62 n GLN 53 Ca -0.04 0.42 -0.06 0.00 -1.94 0.00 0.00 57.00 55.38 1x62 n GLN 53 Cb 0.36 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1x62 h LYS 54 N -0.83 -0.13 0.00 -1.09 1.57 -1.75 -3.48 116.57 110.85 1x62 h LYS 54 Ca -0.48 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1x62 h LYS 54 Cb 1.52 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1x62 h LYS 54 CO -0.24 -0.09 0.00 0.41 -0.57 0.00 0.00 179.45 178.96 1x62 n GLY 55 N -1.37 2.32 3.41 3.86 0.00 0.18 -4.94 105.19 108.65 1x62 n GLY 55 Ca 0.01 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.46 2.29 0.34 1.61 -3.43 -1.26 -4.50 115.29 107.88 1x62 s HIS 56 Ca 0.00 -0.37 0.09 0.00 -0.80 0.00 0.00 55.06 53.98 1x62 s HIS 56 Cb 0.00 -1.17 -0.05 0.00 -1.43 0.00 0.00 32.58 29.92 1x62 s HIS 56 CO 0.00 0.44 0.02 -0.06 -2.00 0.00 0.00 174.74 173.14 1x62 s PHE 57 N -1.46 2.55 -0.33 0.38 0.40 -0.82 -4.93 117.98 113.77 1x62 s PHE 57 Ca 0.18 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1x62 s PHE 57 Cb -0.09 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.98 1x62 s PHE 57 CO 0.08 0.47 0.08 -0.06 0.70 0.00 0.00 175.22 176.50 1x62 s PHE 58 N -2.52 3.25 -0.12 0.36 0.08 -1.26 -3.41 117.98 114.35 1x62 s PHE 58 Ca 0.35 -1.48 -0.04 0.00 0.12 0.00 0.00 56.93 55.89 1x62 s PHE 58 Cb -0.00 -2.24 0.05 0.00 -0.57 0.00 0.00 43.02 40.26 1x62 s PHE 58 CO 0.19 -0.73 0.11 0.08 -0.10 0.00 0.00 175.22 174.77 1x62 s VAL 59 N 1.38 -0.16 -1.38 -0.44 1.01 -0.89 -4.86 120.40 115.06 1x62 s VAL 59 Ca -0.02 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1x62 s VAL 59 Cb -0.19 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1x62 s VAL 59 CO 0.02 -0.06 1.10 -0.62 0.00 0.00 0.00 175.10 175.54 1x62 n GLU 60 N 5.30 -7.18 -2.59 2.72 1.02 -1.26 -1.40 120.64 117.25 1x62 n GLU 60 Ca -0.05 0.77 -0.19 0.00 -0.02 0.00 0.00 57.16 57.67 1x62 n GLU 60 Cb 0.50 -5.77 0.01 0.00 -0.02 0.00 0.00 31.44 26.15 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 -2.99 -5.55 -4.00 1.62 2.03 -1.26 -4.98 116.55 101.41 1x62 n ASP 61 Ca -0.03 -0.11 -0.22 0.00 0.52 0.00 0.00 54.79 54.94 1x62 n ASP 61 Cb 0.57 -4.51 -0.09 0.00 -0.72 0.00 0.00 41.12 36.37 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 -5.19 1.79 -0.04 -0.67 -1.52 -0.49 -5.16 119.66 108.38 1x62 s GLN 62 Ca 0.11 -2.06 0.04 0.00 -1.95 0.00 0.00 55.36 51.50 1x62 s GLN 62 Cb -0.05 -0.35 -0.00 0.00 -0.22 0.00 0.00 33.01 32.39 1x62 s GLN 62 CO 0.13 -0.48 -0.16 0.96 -0.25 0.00 0.00 175.29 175.49 1x62 s ILE 63 N -3.37 1.36 0.23 1.08 -4.36 -1.26 -2.10 121.20 112.79 1x62 s ILE 63 Ca 0.30 -0.69 -0.08 0.00 -0.26 0.00 0.00 60.65 59.92 1x62 s ILE 63 Cb 0.04 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 1x62 s ILE 63 CO 0.17 0.39 0.35 -0.31 0.24 0.00 0.00 174.94 175.79 1x62 s TYR 64 N -0.00 0.68 0.11 1.37 2.02 -1.22 -2.97 117.35 117.34 1x62 s TYR 64 Ca -0.02 -0.98 -0.24 0.00 -0.37 0.00 0.00 57.07 55.45 1x62 s TYR 64 Cb -0.11 -0.09 -0.07 0.00 -0.40 0.00 0.00 41.96 41.29 1x62 s TYR 64 CO 0.02 -0.87 0.73 0.00 -1.57 0.00 0.00 175.55 173.85 1x62 n GLU 66 N 1.94 -0.03 0.02 0.00 2.13 -1.26 0.23 120.64 123.67 1x62 n GLU 66 Ca -0.06 0.86 -0.12 0.00 0.66 0.00 0.00 57.16 58.51 1x62 n GLU 66 Cb 0.49 -1.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.46 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 0.03 0.01 5.31 3.64 -1.97 -1.99 116.57 121.59 1x62 h LYS 67 Ca 0.59 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.91 1x62 h LYS 67 Cb 1.84 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1x62 h LYS 67 CO -0.36 0.10 -0.29 0.45 -2.27 0.00 0.00 179.45 177.09 1x62 h HIS 68 N -0.06 0.02 -0.60 1.91 3.86 0.25 -3.31 115.15 117.22 1x62 h HIS 68 Ca 0.01 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1x62 h HIS 68 Cb 0.09 -0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.45 1x62 h HIS 68 CO -0.05 1.11 -0.47 0.00 0.86 0.00 0.00 177.93 179.39 1x62 h ALA 69 N -0.09 -0.41 -0.89 2.45 0.00 -0.21 0.22 119.26 120.33 1x62 h ALA 69 Ca -0.08 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1x62 h ALA 69 Cb 1.09 1.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.79 1x62 h ALA 69 CO -0.04 -0.87 0.40 0.07 0.00 0.00 0.00 179.25 178.82 1x62 h ARG 70 N -0.23 0.43 -0.57 0.00 0.11 -1.52 0.39 114.38 112.98 1x62 h ARG 70 Ca 0.17 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.17 1x62 h ARG 70 Cb 0.56 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 1x62 h ARG 70 CO -0.71 0.28 0.17 0.93 0.10 0.00 0.00 179.97 180.75 1x62 h GLU 71 N 0.44 0.86 0.23 0.08 4.39 -0.73 0.26 114.58 120.12 1x62 h GLU 71 Ca 0.54 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1x62 h GLU 71 Cb 0.99 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1x62 h GLU 71 CO -0.50 0.75 -0.11 0.00 -1.16 0.00 0.00 179.01 178.00 1x62 h ARG 72 N 0.84 -0.29 -0.23 2.33 3.08 0.98 -3.27 114.38 117.82 1x62 h ARG 72 Ca 0.19 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1x62 h ARG 72 Cb 0.26 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1x62 h ARG 72 CO -0.01 -0.05 0.22 -0.24 -1.07 0.00 0.00 179.97 178.82 1x62 h VAL 73 N -1.03 0.57 -3.69 2.04 3.04 -0.47 -3.37 116.25 113.33 1x62 h VAL 73 Ca -0.03 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 64.99 1x62 h VAL 73 Cb 0.38 0.83 -0.37 0.00 -2.01 0.00 0.00 31.29 30.12 1x62 h VAL 73 CO 0.05 0.00 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.25 1x62 s SER 74 N -5.97 4.14 0.00 3.17 0.15 0.08 -5.03 113.70 110.24 1x62 s SER 74 Ca -0.05 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1x62 s SER 74 Cb 0.16 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1x62 s SER 74 CO 0.59 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1x62 n GLY 75 N 4.49 0.52 3.33 9.45 0.00 -1.26 -4.46 105.19 117.26 1x62 n GLY 75 Ca -0.15 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1x62 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x62 n PRO 76 N 0.00 -3.05 -3.64 1.61 -0.04 -1.26 -5.07 135.00 123.54 1x62 n PRO 76 Ca 0.00 -1.66 -0.26 0.00 -0.04 0.00 0.00 63.50 61.54 1x62 n PRO 76 Cb 0.00 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 1x62 n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x62 s SER 77 N -4.30 2.46 -0.35 3.54 0.15 -1.26 -4.97 113.70 108.97 1x62 s SER 77 Ca 0.67 -0.65 -0.26 0.00 0.70 0.00 0.00 55.95 56.41 1x62 s SER 77 Cb -0.07 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 1x62 s SER 77 CO 0.52 -0.34 0.92 -0.94 1.20 0.00 0.00 173.24 174.60 1x62 s SER 78 N 2.07 6.71 0.00 5.45 1.04 -1.26 -5.31 113.70 122.41 1x62 s SER 78 Ca 0.01 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1x62 s SER 78 Cb -0.16 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1x62 s SER 78 CO -0.09 -0.82 0.19 0.61 0.98 0.00 0.00 173.24 174.11