#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 5.35 -0.16 1.61 1.04 -1.26 -5.06 113.70 115.22 1x62 s SER 2 Ca 0.00 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 1x62 s SER 2 Cb 0.00 -1.34 -0.14 0.00 0.10 0.00 0.00 66.02 64.65 1x62 s SER 2 CO 0.00 0.06 0.21 -1.28 0.98 0.00 0.00 173.24 173.21 1x62 h SER 3 N 2.33 0.00 -5.50 7.02 0.87 -2.09 -3.50 113.55 112.67 1x62 h SER 3 Ca -0.48 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1x62 h SER 3 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1x62 h SER 3 CO 0.62 1.03 -1.00 0.61 -0.53 0.00 0.00 176.83 177.55 1x62 n GLY 4 N 1.58 -3.09 3.42 5.77 0.00 -1.26 -5.05 105.19 106.55 1x62 n GLY 4 Ca -0.15 0.88 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.72 -0.52 0.18 1.61 0.01 -1.26 -5.15 113.70 107.86 1x62 s SER 5 Ca -0.13 0.86 -0.30 0.00 1.31 0.00 0.00 55.95 57.69 1x62 s SER 5 Cb 0.01 0.87 -0.08 0.00 0.21 0.00 0.00 66.02 67.03 1x62 s SER 5 CO 0.49 -0.30 1.21 -0.94 0.41 0.00 0.00 173.24 174.11 1x62 s SER 6 N -0.24 7.07 0.00 2.44 1.04 -1.26 -4.87 113.70 117.88 1x62 s SER 6 Ca -0.04 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.62 1x62 s SER 6 Cb -0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1x62 s SER 6 CO 0.03 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1x62 n GLY 7 N 2.27 -0.54 3.95 7.32 0.00 -1.26 -5.14 105.19 111.78 1x62 n GLY 7 Ca 0.05 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.00 6.34 0.11 1.61 0.01 -1.26 -5.12 113.70 111.39 1x62 s SER 8 Ca 0.00 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.47 1x62 s SER 8 Cb 0.00 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1x62 s SER 8 CO 0.00 0.02 0.05 0.27 0.41 0.00 0.00 173.24 173.99 1x62 s ILE 9 N -1.80 4.26 0.00 1.44 -5.25 -1.26 -5.08 121.20 113.51 1x62 s ILE 9 Ca 0.35 -0.97 0.00 0.00 -0.99 0.00 0.00 60.65 59.04 1x62 s ILE 9 Cb -0.11 -3.07 0.00 0.00 2.95 0.00 0.00 42.46 42.23 1x62 s ILE 9 CO 0.29 0.06 0.00 0.61 -1.79 0.00 0.00 174.94 174.11 1x62 n GLY 10 N 0.30 4.51 2.74 6.27 0.00 -1.26 -5.13 105.19 112.62 1x62 n GLY 10 Ca -0.09 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1x62 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x62 s ASN 11 N 0.00 3.02 0.10 1.61 0.01 -1.26 -5.03 114.94 113.39 1x62 s ASN 11 Ca 0.00 -0.89 -0.30 0.00 -0.71 0.00 0.00 52.86 50.96 1x62 s ASN 11 Cb 0.00 -0.63 -0.11 0.00 0.41 0.00 0.00 41.25 40.92 1x62 s ASN 11 CO 0.00 -0.31 1.62 0.00 -1.51 0.00 0.00 177.10 176.89 1x62 h ALA 12 N 8.23 -0.67 -2.39 0.60 0.00 -2.06 -3.40 119.26 119.56 1x62 h ALA 12 Ca -0.16 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.11 1x62 h ALA 12 Cb 1.11 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x62 h ALA 12 CO 0.35 -0.92 0.88 -0.65 0.00 0.00 0.00 179.25 178.90 1x62 s GLN 13 N -6.00 4.26 0.70 0.00 -0.21 -1.26 -4.98 119.66 112.16 1x62 s GLN 13 Ca -0.16 2.05 -0.15 0.00 0.02 0.00 0.00 55.36 57.12 1x62 s GLN 13 Cb 0.07 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.51 1x62 s GLN 13 CO 0.64 -0.62 1.16 0.21 -2.12 0.00 0.00 175.29 174.56 1x62 s LYS 14 N 2.49 2.43 0.00 2.91 2.20 -1.26 -5.05 119.74 123.46 1x62 s LYS 14 Ca 0.66 1.60 0.01 0.00 -0.36 0.00 0.00 55.97 57.88 1x62 s LYS 14 Cb -0.33 -1.89 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1x62 s LYS 14 CO 0.28 -1.57 -0.03 -0.51 -0.36 0.00 0.00 175.35 173.16 1x62 s LEU 15 N -5.01 2.02 -0.26 5.43 1.43 -1.26 -5.11 118.68 115.93 1x62 s LEU 15 Ca 0.71 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1x62 s LEU 15 Cb -0.25 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1x62 s LEU 15 CO 0.43 0.01 1.64 -2.16 0.23 0.00 0.00 176.35 176.50 1x62 s PRO 16 N -0.17 3.68 0.13 1.29 0.04 -1.26 -4.62 135.00 134.09 1x62 s PRO 16 Ca -0.00 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 1x62 s PRO 16 Cb -0.02 -4.07 -0.08 0.00 0.04 0.00 0.00 34.50 30.37 1x62 s PRO 16 CO -0.00 -1.43 1.39 -1.64 0.04 0.00 0.00 177.00 175.35 1x62 s MET 17 N 4.90 4.32 1.03 4.56 -1.94 -1.26 -0.90 119.30 130.02 1x62 s MET 17 Ca 0.72 2.09 -0.13 0.00 -1.71 0.00 0.00 55.69 56.66 1x62 s MET 17 Cb -0.23 -3.23 0.15 0.00 2.01 0.00 0.00 34.83 33.53 1x62 s MET 17 CO 0.30 -0.42 0.73 0.00 -0.01 0.00 0.00 175.02 175.63 1x62 n ASP 19 N -3.28 1.99 0.00 0.00 2.03 -1.12 -3.38 116.55 112.78 1x62 n ASP 19 Ca 0.06 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1x62 n ASP 19 Cb 0.55 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1x62 n ASP 19 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x62 n LYS 20 N -3.62 0.00 -0.02 -0.67 4.81 -1.26 -4.30 118.16 113.10 1x62 n LYS 20 Ca -0.46 0.48 -0.16 0.00 -0.87 0.00 0.00 58.31 57.30 1x62 n LYS 20 Cb 0.95 -1.33 -0.11 0.00 0.02 0.00 0.00 35.03 34.56 1x62 n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x62 n GLY 22 N 1.07 0.71 2.91 0.00 0.00 -1.22 -5.01 105.19 103.65 1x62 n GLY 22 Ca -0.10 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.11 0.31 -0.51 2.61 -4.23 -1.26 -4.73 115.64 105.73 1x62 s THR 23 Ca 0.00 -0.11 -0.38 0.00 -1.18 0.00 0.00 61.69 60.02 1x62 s THR 23 Cb 0.00 -0.30 -0.16 0.00 1.34 0.00 0.00 72.50 73.38 1x62 s THR 23 CO 0.00 0.12 2.24 0.61 -0.54 0.00 0.00 174.62 177.05 1x62 n GLY 24 N 3.35 0.06 3.75 3.99 0.00 -1.26 -1.76 105.19 113.32 1x62 n GLY 24 Ca -0.17 1.04 -0.41 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 7.16 2.84 -0.13 -0.61 1.01 -0.07 -4.91 121.20 126.48 1x62 s ILE 25 Ca 1.17 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.58 1x62 s ILE 25 Cb -1.17 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 37.84 1x62 s ILE 25 CO 0.56 0.15 -0.04 0.54 0.00 0.00 0.00 174.94 176.15 1x62 s VAL 26 N -0.53 0.89 0.00 2.92 0.11 -1.26 -4.29 120.40 118.24 1x62 s VAL 26 Ca 0.53 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1x62 s VAL 26 Cb -0.39 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1x62 s VAL 26 CO 0.46 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1x62 n GLY 27 N 4.97 0.94 3.78 6.54 0.00 -1.26 -4.95 105.19 115.20 1x62 n GLY 27 Ca -0.11 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 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 3.35 0.00 1.61 0.11 -1.26 -5.04 120.40 119.17 1x62 s VAL 28 Ca 0.00 1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.79 1x62 s VAL 28 Cb 0.00 -3.53 0.10 0.00 -1.53 0.00 0.00 36.38 31.42 1x62 s VAL 28 CO 0.00 0.00 0.94 0.72 -3.33 0.00 0.00 175.10 173.43 1x62 s PHE 29 N -1.58 -0.28 -0.52 1.54 -0.12 -1.26 -4.55 117.98 111.20 1x62 s PHE 29 Ca 0.61 0.13 -0.16 0.00 -0.05 0.00 0.00 56.93 57.45 1x62 s PHE 29 Cb -0.26 0.55 0.10 0.00 -0.63 0.00 0.00 43.02 42.79 1x62 s PHE 29 CO 0.32 -0.55 0.50 0.08 -0.05 0.00 0.00 175.22 175.52 1x62 s VAL 30 N -3.06 5.15 -0.43 -2.49 1.01 -0.18 -4.87 120.40 115.54 1x62 s VAL 30 Ca 0.07 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 1x62 s VAL 30 Cb -0.01 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1x62 s VAL 30 CO -0.07 -0.80 1.30 -0.75 0.00 0.00 0.00 175.10 174.78 1x62 s LYS 31 N 1.80 3.66 0.71 2.72 2.36 -1.26 -2.12 119.74 127.61 1x62 s LYS 31 Ca 0.05 0.81 -0.09 0.00 -2.55 0.00 0.00 55.97 54.19 1x62 s LYS 31 Cb -0.27 -3.97 0.04 0.00 -1.05 0.00 0.00 37.83 32.59 1x62 s LYS 31 CO 0.05 -1.46 1.06 -0.51 1.55 0.00 0.00 175.35 176.04 1x62 s LEU 32 N 4.97 2.84 0.00 5.43 1.43 0.18 -4.98 118.68 128.55 1x62 s LEU 32 Ca 0.56 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1x62 s LEU 32 Cb -0.11 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1x62 s LEU 32 CO 0.31 -1.49 0.46 0.54 0.23 0.00 0.00 176.35 176.41 1x62 n ARG 33 N -2.98 0.00 -0.01 1.70 1.74 -1.26 -3.07 116.66 112.77 1x62 n ARG 33 Ca 0.07 0.46 0.01 0.00 -0.77 0.00 0.00 57.85 57.63 1x62 n ARG 33 Cb 0.59 -0.76 0.02 0.00 -1.02 0.00 0.00 32.46 31.28 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x62 n ASP 34 N -1.79 1.59 -4.63 0.55 8.00 -1.26 -5.04 116.55 113.97 1x62 n ASP 34 Ca 0.00 -1.45 -0.29 0.00 0.71 0.00 0.00 54.79 53.75 1x62 n ASP 34 Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.51 2.03 0.06 -1.24 1.81 -1.18 -5.16 118.95 114.76 1x62 s ARG 35 Ca 0.04 -2.22 0.03 0.00 -1.72 0.00 0.00 55.73 51.86 1x62 s ARG 35 Cb 0.02 -1.47 -0.03 0.00 -0.45 0.00 0.00 34.95 33.02 1x62 s ARG 35 CO 0.03 -0.21 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.34 1x62 s HIS 36 N -2.85 0.84 0.26 -0.53 3.76 -1.26 0.49 115.29 116.00 1x62 s HIS 36 Ca 0.23 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.41 1x62 s HIS 36 Cb 0.06 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.27 1x62 s HIS 36 CO 0.12 -0.05 0.61 1.03 -0.85 0.00 0.00 174.74 175.59 1x62 s ARG 37 N -2.00 1.67 0.60 1.40 0.52 -0.90 -2.80 118.95 117.44 1x62 s ARG 37 Ca -0.04 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.00 1x62 s ARG 37 Cb -0.08 0.55 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1x62 s ARG 37 CO 0.00 -0.74 0.92 -1.01 0.02 0.00 0.00 175.30 174.50 1x62 s HIS 38 N -3.96 3.32 -1.35 -0.53 3.76 -1.26 -1.01 115.29 114.26 1x62 s HIS 38 Ca 0.16 0.76 0.15 0.00 -0.15 0.00 0.00 55.06 55.98 1x62 s HIS 38 Cb -0.04 -2.74 0.72 0.00 1.11 0.00 0.00 32.58 31.63 1x62 s HIS 38 CO 0.07 -0.81 1.41 -0.35 -0.85 0.00 0.00 174.74 174.22 1x62 n PRO 39 N -2.62 0.17 -0.01 8.40 -0.04 -1.26 -2.70 135.00 136.94 1x62 n PRO 39 Ca 0.04 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 1x62 n PRO 39 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1x62 n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x62 n GLU 40 N -1.32 3.46 0.00 0.54 1.02 -1.26 -4.58 120.64 118.49 1x62 n GLU 40 Ca 0.06 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 1x62 n GLU 40 Cb 0.13 -1.05 0.75 0.00 -0.02 0.00 0.00 31.44 31.25 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x62 n TYR 42 N -1.10 0.00 -2.32 0.00 9.36 -1.10 -4.82 117.16 117.18 1x62 n TYR 42 Ca 0.18 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.07 1x62 n TYR 42 Cb 0.13 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 38.79 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 -1.56 4.32 0.97 2.97 -7.23 -1.22 -3.80 120.40 114.85 1x62 s VAL 43 Ca 0.00 1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 61.16 1x62 s VAL 43 Cb 0.00 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.36 1x62 s VAL 43 CO 0.00 -0.62 0.33 0.00 -0.31 0.00 0.00 175.10 174.50 1x62 n THR 45 N -3.68 1.76 0.08 0.00 -1.04 -1.19 -3.13 114.28 107.08 1x62 n THR 45 Ca 0.06 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.05 61.36 1x62 n THR 45 Cb 0.55 -1.66 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 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 0.06 -0.19 0.00 8.00 3.58 -1.93 -3.41 116.42 122.53 1x62 h ASP 46 Ca -0.41 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1x62 h ASP 46 Cb 2.03 0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1x62 h ASP 46 CO 0.08 -0.11 -0.49 0.00 -2.88 0.00 0.00 179.24 175.85 1x62 n GLY 48 N 1.62 0.65 3.57 0.00 0.00 -1.18 -4.95 105.19 104.89 1x62 n GLY 48 Ca -0.07 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.73 3.26 -0.30 2.61 -1.32 -1.26 -4.65 115.64 113.24 1x62 s THR 49 Ca 0.00 -1.41 -0.30 0.00 -1.21 0.00 0.00 61.69 58.78 1x62 s THR 49 Cb 0.00 -2.55 -0.07 0.00 -1.51 0.00 0.00 72.50 68.37 1x62 s THR 49 CO 0.00 0.05 2.25 0.59 -2.21 0.00 0.00 174.62 175.29 1x62 n ASN 50 N 0.52 2.79 -1.00 8.08 4.13 -1.26 -2.18 115.26 126.34 1x62 n ASN 50 Ca -0.13 0.17 0.04 0.00 1.68 0.00 0.00 54.58 56.35 1x62 n ASN 50 Cb 0.53 -1.47 0.18 0.00 -1.54 0.00 0.00 39.78 37.49 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x62 n LEU 51 N 11.68 2.82 0.44 3.41 4.77 -1.25 -4.37 117.00 134.50 1x62 n LEU 51 Ca 0.35 -1.43 -0.19 0.00 -0.03 0.00 0.00 56.01 54.70 1x62 n LEU 51 Cb 0.39 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1x62 n LEU 51 CO 0.70 0.45 0.57 0.50 -1.33 0.00 0.00 177.39 178.28 1x62 h LYS 52 N 2.00 -1.11 0.01 3.23 3.11 -1.87 -1.00 116.57 120.94 1x62 h LYS 52 Ca 0.00 0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1x62 h LYS 52 Cb 0.96 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1x62 h LYS 52 CO 0.16 -0.74 -0.01 1.96 -2.81 0.00 0.00 179.45 178.01 1x62 h GLN 53 N -1.15 -0.02 -0.52 1.90 4.20 -2.01 -3.38 115.11 114.14 1x62 h GLN 53 Ca -0.11 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.67 1x62 h GLN 53 Cb 0.91 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.60 1x62 h GLN 53 CO 0.14 -0.01 -0.53 0.87 -0.67 0.00 0.00 178.83 178.63 1x62 h LYS 54 N -0.52 -0.30 0.00 1.46 1.57 -1.79 -3.48 116.57 113.51 1x62 h LYS 54 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x62 h LYS 54 Cb 0.01 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x62 h LYS 54 CO 0.00 -0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.09 1x62 n GLY 55 N -1.37 2.34 3.27 3.86 0.00 -0.38 -4.86 105.19 108.04 1x62 n GLY 55 Ca -0.02 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.89 1.48 0.36 1.61 -3.43 -1.26 -3.83 115.29 108.34 1x62 s HIS 56 Ca 0.00 -0.58 0.08 0.00 -0.80 0.00 0.00 55.06 53.76 1x62 s HIS 56 Cb 0.00 -0.75 -0.07 0.00 -1.43 0.00 0.00 32.58 30.33 1x62 s HIS 56 CO 0.00 0.19 -0.04 -0.06 -2.00 0.00 0.00 174.74 172.83 1x62 s PHE 57 N -2.45 2.38 -0.31 0.38 0.40 -0.09 -4.91 117.98 113.38 1x62 s PHE 57 Ca 0.13 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1x62 s PHE 57 Cb -0.03 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 42.03 1x62 s PHE 57 CO 0.04 0.46 0.03 -0.06 0.70 0.00 0.00 175.22 176.38 1x62 s PHE 58 N -2.74 3.23 -0.04 0.36 0.08 -1.26 -3.07 117.98 114.54 1x62 s PHE 58 Ca 0.34 -1.65 -0.02 0.00 0.12 0.00 0.00 56.93 55.72 1x62 s PHE 58 Cb 0.06 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1x62 s PHE 58 CO 0.17 -0.76 0.07 0.08 -0.10 0.00 0.00 175.22 174.68 1x62 s VAL 59 N 1.32 -0.12 -1.39 -0.44 1.01 -0.83 -4.86 120.40 115.08 1x62 s VAL 59 Ca -0.03 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1x62 s VAL 59 Cb -0.19 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1x62 s VAL 59 CO -0.00 0.18 0.97 -0.62 0.00 0.00 0.00 175.10 175.62 1x62 n GLU 60 N 5.29 -6.14 -2.65 2.72 1.02 -1.26 -1.07 120.64 118.55 1x62 n GLU 60 Ca -0.03 0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 57.59 1x62 n GLU 60 Cb 0.50 -5.56 0.01 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.97 -5.90 -4.04 1.62 2.03 -1.26 -4.97 116.55 101.06 1x62 n ASP 61 Ca -0.09 -0.12 -0.22 0.00 0.52 0.00 0.00 54.79 54.88 1x62 n ASP 61 Cb 0.59 -4.85 -0.09 0.00 -0.72 0.00 0.00 41.12 36.05 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 -5.31 1.77 -0.02 -0.67 -1.52 -0.23 -5.16 119.66 108.52 1x62 s GLN 62 Ca 0.12 -2.04 0.06 0.00 -1.95 0.00 0.00 55.36 51.55 1x62 s GLN 62 Cb -0.05 -0.37 -0.02 0.00 -0.22 0.00 0.00 33.01 32.35 1x62 s GLN 62 CO 0.15 -0.46 -0.21 0.96 -0.25 0.00 0.00 175.29 175.49 1x62 s ILE 63 N -3.38 1.62 0.12 1.08 -4.36 -1.26 -1.97 121.20 113.06 1x62 s ILE 63 Ca 0.31 -0.88 -0.11 0.00 -0.26 0.00 0.00 60.65 59.71 1x62 s ILE 63 Cb 0.04 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.41 1x62 s ILE 63 CO 0.17 0.46 0.27 -0.31 0.24 0.00 0.00 174.94 175.77 1x62 s TYR 64 N -0.49 0.12 0.31 1.37 2.02 -1.17 -3.17 117.35 116.33 1x62 s TYR 64 Ca 0.08 -0.50 -0.28 0.00 -0.37 0.00 0.00 57.07 56.00 1x62 s TYR 64 Cb -0.08 0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.42 1x62 s TYR 64 CO -0.01 -0.64 1.05 0.00 -1.57 0.00 0.00 175.55 174.39 1x62 n GLU 66 N 0.86 -0.05 0.33 0.00 2.13 -1.25 0.29 120.64 122.96 1x62 n GLU 66 Ca 0.01 1.06 -0.16 0.00 0.66 0.00 0.00 57.16 58.72 1x62 n GLU 66 Cb 0.47 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.38 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 -0.93 0.56 5.31 3.64 -1.93 -2.40 116.57 120.82 1x62 h LYS 67 Ca 0.47 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1x62 h LYS 67 Cb 1.03 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1x62 h LYS 67 CO -0.65 -0.62 -0.27 0.45 -2.27 0.00 0.00 179.45 176.09 1x62 h HIS 68 N -0.96 -0.70 -0.54 1.91 3.86 -0.60 -3.12 115.15 115.00 1x62 h HIS 68 Ca -0.08 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1x62 h HIS 68 Cb 0.78 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 29.42 1x62 h HIS 68 CO -0.10 -0.41 -0.32 0.00 0.86 0.00 0.00 177.93 177.97 1x62 n ALA 69 N -2.45 -0.35 -0.24 2.45 0.00 0.15 0.49 120.51 120.56 1x62 n ALA 69 Ca -0.12 0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 1x62 n ALA 69 Cb 0.32 0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.03 -0.85 0.00 3.08 -1.43 0.29 114.38 115.44 1x62 h ARG 70 Ca 0.09 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.27 1x62 h ARG 70 Cb 0.22 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 1x62 h ARG 70 CO -0.51 -0.02 0.46 0.93 -1.07 0.00 0.00 179.97 179.76 1x62 h GLU 71 N -0.03 0.66 0.63 0.04 5.08 0.10 -2.21 114.58 118.85 1x62 h GLU 71 Ca 0.32 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1x62 h GLU 71 Cb 0.53 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1x62 h GLU 71 CO -0.73 0.43 -0.30 0.00 -1.00 0.00 0.00 179.01 177.41 1x62 h ARG 72 N 0.68 -0.82 -0.78 2.33 3.08 0.78 0.13 114.38 119.79 1x62 h ARG 72 Ca 0.45 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.68 1x62 h ARG 72 Cb 0.59 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.69 1x62 h ARG 72 CO -0.33 -0.50 -0.37 0.28 -1.07 0.00 0.00 179.97 177.97 1x62 h VAL 73 N -1.01 0.08 0.64 2.04 2.07 -0.78 -2.48 116.25 116.81 1x62 h VAL 73 Ca -0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1x62 h VAL 73 Cb 0.69 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1x62 h VAL 73 CO 0.14 0.00 -0.31 -1.28 0.02 0.00 0.00 177.57 176.15 1x62 h SER 74 N -0.09 -0.73 -1.95 0.57 0.87 -1.40 -3.45 113.55 107.36 1x62 h SER 74 Ca 0.28 0.03 -0.57 0.00 -1.23 0.00 0.00 61.79 60.29 1x62 h SER 74 Cb 0.57 0.19 0.20 0.00 -0.44 0.00 0.00 62.40 62.91 1x62 h SER 74 CO -0.82 -0.39 -1.38 0.61 -0.53 0.00 0.00 176.83 174.32 1x62 n GLY 75 N -0.61 -3.66 2.91 5.77 0.00 0.46 -4.94 105.19 105.12 1x62 n GLY 75 Ca -0.11 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 1.82 -2.80 -4.29 1.61 -0.04 -1.26 -4.91 135.00 125.13 1x62 n PRO 76 Ca 0.04 -1.45 -0.30 0.00 -0.04 0.00 0.00 63.50 61.76 1x62 n PRO 76 Cb 0.49 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.95 4.06 1.21 3.54 0.15 -1.26 -5.04 113.70 112.41 1x62 s SER 77 Ca 0.59 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 1x62 s SER 77 Cb -0.06 -0.65 0.29 0.00 -1.71 0.00 0.00 66.02 63.89 1x62 s SER 77 CO 0.45 0.18 1.03 -0.44 1.20 0.00 0.00 173.24 175.66 1x62 s SER 78 N -2.13 0.73 0.00 5.45 0.01 -1.26 -5.32 113.70 111.17 1x62 s SER 78 Ca 0.19 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1x62 s SER 78 Cb -0.11 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1x62 s SER 78 CO 0.11 -4.30 0.00 0.61 0.41 0.00 0.00 173.24 170.07