#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1v n GLY 3 N 0.00 -0.61 0.12 7.41 0.00 -1.26 -4.90 105.19 105.95 1x1v n GLY 3 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1x1v n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1v n ALA 4 N -0.39 0.16 -3.06 4.61 0.00 -1.26 -4.52 120.51 116.06 1x1v n ALA 4 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 1x1v n ALA 4 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 1x1v n ALA 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x1v n ILE 5 N -1.64 -1.63 -4.53 0.00 5.41 -1.26 -4.04 119.36 111.68 1x1v n ILE 5 Ca -0.00 0.15 -0.33 0.00 1.00 0.00 0.00 62.75 63.56 1x1v n ILE 5 Cb 0.58 -2.72 -0.15 0.00 -0.71 0.00 0.00 39.64 36.65 1x1v n ILE 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1x1v s LYS 6 N -0.04 3.32 -0.14 0.38 1.02 -1.26 -0.59 119.74 122.42 1x1v s LYS 6 Ca -0.02 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1x1v s LYS 6 Cb 0.00 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1x1v s LYS 6 CO 0.04 0.07 -0.18 0.08 -0.92 0.00 0.00 175.35 174.44 1x1v s VAL 7 N 0.72 1.77 0.00 3.17 1.01 0.05 -4.98 120.40 122.14 1x1v s VAL 7 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1x1v s VAL 7 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1x1v s VAL 7 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1x1v n GLY 8 N 4.33 0.84 2.47 4.51 0.00 -1.26 -1.07 105.19 115.00 1x1v n GLY 8 Ca -0.19 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1x1v n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1v n ALA 9 N 1.60 -2.52 -3.43 4.61 0.00 -1.17 -4.90 120.51 114.69 1x1v n ALA 9 Ca 0.00 1.18 -0.33 0.00 0.00 0.00 0.00 53.44 54.30 1x1v n ALA 9 Cb 0.00 -2.64 -0.16 0.00 0.00 0.00 0.00 19.45 16.65 1x1v n ALA 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1x1v s TRP 10 N -0.56 2.73 -4.08 0.00 0.51 0.60 -4.91 118.94 113.24 1x1v s TRP 10 Ca -0.11 -1.07 0.00 0.00 -2.12 0.00 0.00 56.10 52.80 1x1v s TRP 10 Cb 0.01 -1.84 0.00 0.00 -0.81 0.00 0.00 33.47 30.82 1x1v s TRP 10 CO 0.30 -0.47 0.00 0.41 -0.51 0.00 0.00 176.95 176.68 1x1v n GLY 11 N 3.94 0.81 3.98 0.98 0.00 -1.26 -1.57 105.19 112.06 1x1v n GLY 11 Ca -0.19 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 1x1v n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x1v s GLY 12 N 0.00 1.76 0.00 -0.02 0.00 0.60 -4.91 107.32 104.75 1x1v s GLY 12 Ca 0.00 -1.57 0.23 0.00 0.00 0.00 0.00 44.72 43.38 1x1v s GLY 12 CO 0.00 -1.00 1.43 0.70 0.00 0.00 0.00 173.10 174.23 1x1v n ASN 13 N -2.95 2.97 -4.12 1.64 3.02 -1.26 -4.47 115.26 110.10 1x1v n ASN 13 Ca 0.14 -1.92 -0.30 0.00 -0.03 0.00 0.00 54.58 52.47 1x1v n ASN 13 Cb 0.60 -0.20 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 1x1v n ASN 13 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x1v s GLY 14 N -1.52 1.77 0.00 7.41 0.00 -1.26 -4.96 107.32 108.75 1x1v s GLY 14 Ca 0.37 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1x1v s GLY 14 CO 0.30 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1x1v n GLY 15 N -3.58 -1.38 3.66 0.20 0.00 -1.26 -4.49 105.19 98.33 1x1v n GLY 15 Ca 0.15 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1x1v n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1v s SER 16 N -4.00 5.11 0.46 1.61 0.01 0.74 -4.77 113.70 112.86 1x1v s SER 16 Ca 0.00 0.11 -0.24 0.00 1.31 0.00 0.00 55.95 57.13 1x1v s SER 16 Cb 0.00 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 1x1v s SER 16 CO 0.00 0.37 1.23 0.00 0.41 0.00 0.00 173.24 175.25 1x1v n ALA 17 N 2.18 1.14 -2.39 1.44 0.00 -1.26 -1.27 120.51 120.34 1x1v n ALA 17 Ca -0.18 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1x1v n ALA 17 Cb 0.53 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 1x1v n ALA 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x1v s PHE 18 N -1.25 0.83 -0.30 0.00 -0.71 0.30 -4.86 117.98 111.99 1x1v s PHE 18 Ca 0.64 -0.78 -0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1x1v s PHE 18 Cb -0.49 -0.48 0.19 0.00 -1.21 0.00 0.00 43.02 41.02 1x1v s PHE 18 CO 0.56 -0.12 0.74 0.34 -1.34 0.00 0.00 175.22 175.39 1x1v s ASP 19 N -2.57 -1.14 0.00 1.98 -1.08 -1.26 -1.17 116.67 111.42 1x1v s ASP 19 Ca 0.05 0.54 0.26 0.00 -0.52 0.00 0.00 52.55 52.87 1x1v s ASP 19 Cb 0.00 1.89 0.67 0.00 -1.46 0.00 0.00 42.92 44.01 1x1v s ASP 19 CO -0.03 -0.21 1.52 1.15 0.52 0.00 0.00 175.17 178.12 1x1v n MET 20 N 5.41 0.27 -0.60 4.34 0.00 -0.54 -5.00 117.12 121.00 1x1v n MET 20 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 57.70 57.63 1x1v n MET 20 Cb 0.53 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.23 1x1v n MET 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x1v n GLY 21 N 1.44 -1.68 3.84 3.17 0.00 -1.25 -4.89 105.19 105.82 1x1v n GLY 21 Ca 0.08 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1x1v n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1v s PRO 22 N -1.73 2.94 0.24 1.61 0.04 -1.26 -3.94 135.00 132.90 1x1v s PRO 22 Ca 0.00 0.73 0.11 0.00 0.04 0.00 0.00 61.00 61.88 1x1v s PRO 22 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1x1v s PRO 22 CO 0.00 -1.04 -0.19 0.00 0.04 0.00 0.00 177.00 175.82 1x1v s ALA 23 N -3.17 2.48 0.18 8.56 0.00 0.29 -4.93 121.76 125.17 1x1v s ALA 23 Ca 0.58 -1.77 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 1x1v s ALA 23 Cb -0.13 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.86 1x1v s ALA 23 CO 0.54 0.24 1.69 -0.92 0.00 0.00 0.00 175.76 177.31 1x1v h TYR 24 N 2.51 1.06 -2.20 0.00 3.20 -1.61 -3.45 116.97 116.48 1x1v h TYR 24 Ca -0.40 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 1x1v h TYR 24 Cb 1.24 -0.30 -0.23 0.00 1.54 0.00 0.00 36.73 38.98 1x1v h TYR 24 CO 0.77 0.89 -0.13 0.50 -1.64 0.00 0.00 178.16 178.54 1x1v s ARG 25 N -5.31 0.56 -0.14 1.82 3.00 -1.24 -5.00 118.95 112.64 1x1v s ARG 25 Ca -0.12 1.16 -0.29 0.00 -1.00 0.00 0.00 55.73 55.48 1x1v s ARG 25 Cb 0.14 0.30 -0.02 0.00 0.00 0.00 0.00 34.95 35.37 1x1v s ARG 25 CO 0.83 -0.18 1.26 0.42 0.00 0.00 0.00 175.30 177.63 1x1v s ILE 26 N 2.01 4.25 -0.14 4.11 -1.09 -1.26 -1.23 121.20 127.86 1x1v s ILE 26 Ca -0.08 1.53 -0.13 0.00 -2.23 0.00 0.00 60.65 59.74 1x1v s ILE 26 Cb -0.08 -3.99 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 1x1v s ILE 26 CO -0.17 -0.11 0.15 0.40 -1.23 0.00 0.00 174.94 173.98 1x1v h ILE 27 N 5.41 0.55 -3.01 2.92 2.04 -1.09 -3.45 117.51 120.88 1x1v h ILE 27 Ca -0.28 -1.51 -0.12 0.00 1.00 0.00 0.00 64.86 63.95 1x1v h ILE 27 Cb 1.12 1.15 -0.20 0.00 -0.74 0.00 0.00 36.82 38.14 1x1v h ILE 27 CO 0.95 0.19 -0.27 -0.94 0.00 0.00 0.00 178.15 178.08 1x1v s SER 28 N -6.00 -0.20 -0.11 1.72 1.04 -0.84 -1.73 113.70 107.57 1x1v s SER 28 Ca -0.14 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1x1v s SER 28 Cb 0.01 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x1v s SER 28 CO 0.32 -0.44 -0.23 -0.69 0.98 0.00 0.00 173.24 173.18 1x1v s VAL 29 N -1.27 2.08 -0.22 5.02 1.01 -0.47 -1.21 120.40 125.33 1x1v s VAL 29 Ca -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1x1v s VAL 29 Cb -0.05 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1x1v s VAL 29 CO 0.04 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 174.82 1x1v s LYS 30 N 0.49 2.73 -0.33 2.72 2.20 0.42 0.59 119.74 128.56 1x1v s LYS 30 Ca -0.15 -1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 54.31 1x1v s LYS 30 Cb -0.17 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1x1v s LYS 30 CO 0.05 -0.37 0.23 0.42 -0.36 0.00 0.00 175.35 175.32 1x1v s ILE 31 N 1.25 5.26 -0.09 5.43 1.09 0.33 -0.68 121.20 133.78 1x1v s ILE 31 Ca -0.01 -0.14 -0.24 0.00 -1.10 0.00 0.00 60.65 59.16 1x1v s ILE 31 Cb -0.16 -3.66 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1x1v s ILE 31 CO -0.08 0.05 0.74 -0.36 -0.10 0.00 0.00 174.94 175.19 1x1v s PHE 32 N 1.73 3.54 -0.15 3.97 0.08 0.84 -0.72 117.98 127.27 1x1v s PHE 32 Ca 0.06 1.25 -0.11 0.00 0.12 0.00 0.00 56.93 58.26 1x1v s PHE 32 Cb -0.17 -2.87 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 1x1v s PHE 32 CO 0.10 -0.00 0.37 0.45 -0.10 0.00 0.00 175.22 176.05 1x1v s SER 33 N 0.91 -0.42 0.00 1.36 0.15 -0.20 -0.66 113.70 114.85 1x1v s SER 33 Ca 0.38 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1x1v s SER 33 Cb -0.18 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1x1v s SER 33 CO 0.17 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1x1v n GLY 34 N 3.47 3.39 0.00 9.45 0.00 -1.26 -0.21 105.19 120.03 1x1v n GLY 34 Ca -0.18 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.62 1x1v n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x1v n ASP 35 N 0.00 0.15 -4.31 1.61 5.68 -1.26 -3.53 116.55 114.89 1x1v n ASP 35 Ca 0.00 0.31 -0.19 0.00 -0.50 0.00 0.00 54.79 54.42 1x1v n ASP 35 Cb 0.00 -0.32 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 1x1v n ASP 35 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x1v s VAL 36 N -3.00 0.70 -0.43 2.12 1.01 -1.26 -0.58 120.40 118.96 1x1v s VAL 36 Ca 0.13 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 59.86 1x1v s VAL 36 Cb 0.18 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1x1v s VAL 36 CO 0.58 0.00 0.87 -0.69 0.00 0.00 0.00 175.10 175.86 1x1v s VAL 37 N -3.59 4.57 0.03 2.92 1.01 -0.43 -4.47 120.40 120.44 1x1v s VAL 37 Ca 0.36 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.02 1x1v s VAL 37 Cb 0.07 -4.36 -0.33 0.00 0.00 0.00 0.00 36.38 31.77 1x1v s VAL 37 CO 0.15 -0.69 0.99 0.44 0.00 0.00 0.00 175.10 175.99 1x1v h ASP 38 N 8.85 0.68 -4.85 3.32 5.19 -1.19 -1.01 116.42 127.41 1x1v h ASP 38 Ca -0.24 -0.77 0.19 0.00 -0.62 0.00 0.00 57.03 55.60 1x1v h ASP 38 Cb 1.08 -0.22 -0.14 0.00 0.18 0.00 0.00 39.33 40.23 1x1v h ASP 38 CO 0.99 1.61 0.63 0.00 -3.12 0.00 0.00 179.24 179.34 1x1v s ALA 39 N -2.61 -1.92 -0.05 3.45 0.00 -0.97 -0.10 121.76 119.56 1x1v s ALA 39 Ca -0.08 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1x1v s ALA 39 Cb 0.05 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1x1v s ALA 39 CO 0.91 -0.79 -0.07 0.08 0.00 0.00 0.00 175.76 175.89 1x1v s VAL 40 N -2.86 0.73 -0.10 0.00 1.01 -0.54 -0.11 120.40 118.53 1x1v s VAL 40 Ca 0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1x1v s VAL 40 Cb -0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1x1v s VAL 40 CO -0.05 0.27 0.12 -1.81 0.00 0.00 0.00 175.10 173.63 1x1v s ASP 41 N 0.92 6.17 -0.09 3.32 1.11 0.14 0.73 116.67 128.97 1x1v s ASP 41 Ca -0.11 0.39 0.01 0.00 0.18 0.00 0.00 52.55 53.03 1x1v s ASP 41 Cb -0.15 -1.95 0.02 0.00 1.07 0.00 0.00 42.92 41.91 1x1v s ASP 41 CO 0.01 0.38 -0.12 -0.69 1.18 0.00 0.00 175.17 175.93 1x1v s VAL 42 N -1.05 1.21 -0.21 -1.27 1.01 -1.26 -0.43 120.40 118.40 1x1v s VAL 42 Ca 0.16 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1x1v s VAL 42 Cb -0.12 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x1v s VAL 42 CO 0.06 0.38 0.04 0.42 0.00 0.00 0.00 175.10 176.01 1x1v s THR 43 N 1.03 4.39 0.15 3.92 -4.23 -0.35 -1.43 115.64 119.13 1x1v s THR 43 Ca -0.07 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1x1v s THR 43 Cb -0.15 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1x1v s THR 43 CO -0.01 0.41 0.33 0.72 -0.54 0.00 0.00 174.62 175.53 1x1v s PHE 44 N 0.91 0.20 -0.64 3.99 -0.71 0.33 -0.42 117.98 121.65 1x1v s PHE 44 Ca 0.03 -0.57 -0.17 0.00 -1.04 0.00 0.00 56.93 55.18 1x1v s PHE 44 Cb -0.14 0.06 0.14 0.00 -1.21 0.00 0.00 43.02 41.87 1x1v s PHE 44 CO 0.02 -0.73 0.65 0.95 -1.34 0.00 0.00 175.22 174.78 1x1v s THR 45 N -3.92 5.16 0.00 -4.49 -4.23 -0.36 -0.61 115.64 107.19 1x1v s THR 45 Ca 0.12 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1x1v s THR 45 Cb 0.03 -4.44 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1x1v s THR 45 CO -0.03 -1.02 0.00 0.00 -0.54 0.00 0.00 174.62 173.03 1x1v n TYR 46 N 5.34 -1.14 -1.89 3.99 -0.00 -0.35 -1.75 117.16 121.35 1x1v n TYR 46 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.46 1x1v n TYR 46 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.74 1x1v n TYR 46 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1x1v n TYR 47 N -1.26 3.30 0.00 2.98 4.02 -1.26 -4.04 117.16 120.90 1x1v n TYR 47 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 57.90 55.52 1x1v n TYR 47 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 39.34 36.93 1x1v n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x1v n GLY 48 N 4.89 2.85 3.87 2.72 0.00 -1.26 -5.04 105.19 113.21 1x1v n GLY 48 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1x1v n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1v s LYS 49 N -0.06 3.75 -0.46 1.61 3.01 -1.26 -5.06 119.74 121.28 1x1v s LYS 49 Ca 0.00 0.16 -0.15 0.00 -1.01 0.00 0.00 55.97 54.97 1x1v s LYS 49 Cb 0.00 -2.99 0.07 0.00 -1.01 0.00 0.00 37.83 33.90 1x1v s LYS 49 CO 0.00 0.55 0.37 0.95 0.51 0.00 0.00 175.35 177.73 1x1v s THR 50 N -1.42 5.15 0.29 2.17 -4.23 -1.26 -1.21 115.64 115.13 1x1v s THR 50 Ca 0.34 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1x1v s THR 50 Cb -0.14 -4.05 -0.03 0.00 1.34 0.00 0.00 72.50 69.62 1x1v s THR 50 CO 0.18 -0.54 0.23 -1.61 -0.54 0.00 0.00 174.62 172.35 1x1v s GLU 51 N 1.63 2.84 0.05 3.99 0.41 0.22 -4.91 118.70 122.93 1x1v s GLU 51 Ca 0.04 -1.15 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 1x1v s GLU 51 Cb -0.24 -2.53 -0.03 0.00 -1.78 0.00 0.00 34.13 29.56 1x1v s GLU 51 CO 0.07 0.28 -0.06 0.95 -0.49 0.00 0.00 175.26 176.00 1x1v s THR 52 N -2.20 0.46 0.00 3.63 -4.23 -1.26 -0.51 115.64 111.53 1x1v s THR 52 Ca 0.36 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1x1v s THR 52 Cb -0.07 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1x1v s THR 52 CO 0.26 -0.51 0.00 0.54 -0.54 0.00 0.00 174.62 174.36 1x1v n ARG 53 N 1.19 1.61 -2.85 3.99 5.12 -0.51 -4.96 116.66 120.25 1x1v n ARG 53 Ca -0.21 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.67 1x1v n ARG 53 Cb 0.56 -0.99 0.01 0.00 -1.16 0.00 0.00 32.46 30.88 1x1v n ARG 53 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1x1v n HIS 54 N -1.65 -3.41 -4.20 -1.55 8.25 -1.26 -4.94 115.22 106.46 1x1v n HIS 54 Ca 0.00 1.47 -0.22 0.00 -0.26 0.00 0.00 57.72 58.70 1x1v n HIS 54 Cb 0.19 -3.64 -0.06 0.00 1.12 0.00 0.00 29.99 27.60 1x1v n HIS 54 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1x1v s PHE 55 N -1.85 2.92 0.00 4.41 2.99 0.22 -4.97 117.98 121.70 1x1v s PHE 55 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 56.93 56.86 1x1v s PHE 55 Cb -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 43.02 41.69 1x1v s PHE 55 CO 0.71 0.57 0.00 0.41 -0.00 0.00 0.00 175.22 176.91 1x1v n GLY 56 N -1.05 -0.19 3.30 4.36 0.00 -1.26 -1.47 105.19 108.89 1x1v n GLY 56 Ca -0.07 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1x1v n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1v n GLY 57 N 0.00 3.26 0.00 -0.02 0.00 0.86 -4.48 105.19 104.81 1x1v n GLY 57 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.70 1x1v n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1v n SER 58 N -1.53 0.00 0.00 1.61 7.64 -1.26 -4.33 113.62 115.75 1x1v n SER 58 Ca -0.11 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1x1v n SER 58 Cb 0.57 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1x1v n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1v n GLY 59 N -0.94 0.53 0.00 0.23 0.00 -1.26 -4.88 105.19 98.87 1x1v n GLY 59 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1x1v n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1v n GLY 60 N 0.00 1.10 3.77 -0.02 0.00 -1.26 -4.99 105.19 103.79 1x1v n GLY 60 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1x1v n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1v s THR 61 N 3.34 5.40 0.40 2.61 2.01 0.70 -4.63 115.64 125.48 1x1v s THR 61 Ca 0.00 0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.04 1x1v s THR 61 Cb 0.00 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1x1v s THR 61 CO 0.00 0.48 1.04 -2.16 -0.69 0.00 0.00 174.62 173.29 1x1v s PRO 62 N -0.01 4.18 -0.09 4.92 0.04 -1.26 -1.03 135.00 141.75 1x1v s PRO 62 Ca 0.12 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1x1v s PRO 62 Cb -0.12 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.94 1x1v s PRO 62 CO 0.01 -0.12 0.01 -1.01 0.04 0.00 0.00 177.00 175.94 1x1v s HIS 63 N -1.70 0.63 -0.19 0.56 3.76 0.10 -4.96 115.29 113.50 1x1v s HIS 63 Ca 0.58 -0.21 -0.08 0.00 -0.15 0.00 0.00 55.06 55.20 1x1v s HIS 63 Cb -0.21 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 1x1v s HIS 63 CO 0.26 -0.36 0.07 -2.00 -0.85 0.00 0.00 174.74 171.87 1x1v s GLU 64 N 1.99 4.00 -0.42 1.40 2.12 -1.26 -0.51 118.70 126.01 1x1v s GLU 64 Ca 0.04 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 1x1v s GLU 64 Cb -0.13 -3.24 0.05 0.00 0.26 0.00 0.00 34.13 31.07 1x1v s GLU 64 CO -0.05 0.27 0.28 0.42 -0.54 0.00 0.00 175.26 175.63 1x1v s ILE 65 N 0.39 4.73 -0.33 -3.70 1.01 0.20 -4.99 121.20 118.52 1x1v s ILE 65 Ca 0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 1x1v s ILE 65 Cb -0.12 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1x1v s ILE 65 CO 0.00 -0.41 0.39 -0.69 0.00 0.00 0.00 174.94 174.23 1x1v s VAL 66 N 1.56 5.14 0.19 2.92 1.01 -1.26 -1.37 120.40 128.58 1x1v s VAL 66 Ca 0.03 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1x1v s VAL 66 Cb -0.22 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1x1v s VAL 66 CO 0.06 -0.07 0.82 -0.76 0.00 0.00 0.00 175.10 175.15 1x1v s LEU 67 N 2.10 4.58 0.45 3.92 1.43 -0.71 -5.03 118.68 125.41 1x1v s LEU 67 Ca 0.14 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 1x1v s LEU 67 Cb -0.16 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1x1v s LEU 67 CO 0.12 0.17 0.19 -1.10 0.23 0.00 0.00 176.35 175.96 1x1v s GLN 68 N -1.26 2.21 0.32 1.70 -0.21 -1.26 -4.91 119.66 116.25 1x1v s GLN 68 Ca 0.38 -1.96 0.17 0.00 0.02 0.00 0.00 55.36 53.96 1x1v s GLN 68 Cb -0.23 -1.93 0.38 0.00 1.00 0.00 0.00 33.01 32.23 1x1v s GLN 68 CO 0.27 -0.23 1.59 1.49 -2.12 0.00 0.00 175.29 176.28 1x1v h GLU 69 N 1.31 0.00 -0.01 2.91 4.22 -2.02 -2.41 114.58 118.58 1x1v h GLU 69 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1x1v h GLU 69 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1x1v h GLU 69 CO 0.69 0.47 -0.13 0.41 -2.18 0.00 0.00 179.01 178.27 1x1v n GLY 70 N 0.71 -0.26 3.57 1.92 0.00 -1.26 -4.84 105.19 105.03 1x1v n GLY 70 Ca 0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1x1v n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x1v s GLU 71 N -2.24 3.90 0.14 1.61 2.12 -0.91 -4.94 118.70 118.38 1x1v s GLU 71 Ca 0.31 -0.36 0.07 0.00 0.36 0.00 0.00 54.97 55.36 1x1v s GLU 71 Cb 0.20 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1x1v s GLU 71 CO 0.42 -0.04 -0.17 0.71 -0.54 0.00 0.00 175.26 175.65 1x1v s TYR 72 N 1.29 1.65 -0.34 5.30 1.51 -1.26 -4.44 117.35 121.06 1x1v s TYR 72 Ca 0.06 -0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 1x1v s TYR 72 Cb -0.14 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1x1v s TYR 72 CO 0.05 0.25 1.03 -0.51 -1.11 0.00 0.00 175.55 175.26 1x1v s LEU 73 N -2.55 3.94 -0.10 -1.29 1.43 -1.26 -2.73 118.68 116.11 1x1v s LEU 73 Ca 0.13 0.90 0.15 0.00 -1.03 0.00 0.00 54.13 54.28 1x1v s LEU 73 Cb -0.05 -3.45 0.23 0.00 0.03 0.00 0.00 46.19 42.94 1x1v s LEU 73 CO 0.05 -0.88 1.11 1.33 0.23 0.00 0.00 176.35 178.20 1x1v n VAL 74 N 5.92 1.64 -3.62 -1.59 0.24 -0.41 -0.30 118.33 120.21 1x1v n VAL 74 Ca 0.10 -1.94 -0.09 0.00 -2.04 0.00 0.00 64.34 60.38 1x1v n VAL 74 Cb 0.47 -0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 1x1v n VAL 74 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1x1v s GLY 75 N -2.47 -0.11 -0.04 7.63 0.00 -0.85 -2.44 107.32 109.04 1x1v s GLY 75 Ca 0.25 2.62 -0.02 0.00 0.00 0.00 0.00 44.72 47.57 1x1v s GLY 75 CO 0.02 1.62 0.10 -0.29 0.00 0.00 0.00 173.10 174.55 1x1v s MET 76 N -0.18 0.06 0.14 2.90 1.75 -1.06 -1.54 119.30 121.37 1x1v s MET 76 Ca 0.03 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.74 1x1v s MET 76 Cb -0.04 -0.13 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 1x1v s MET 76 CO -0.05 -0.12 -0.03 0.15 -0.65 0.00 0.00 175.02 174.31 1x1v s LYS 77 N 0.83 1.01 0.00 4.11 1.02 -0.20 -0.05 119.74 126.45 1x1v s LYS 77 Ca -0.07 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1x1v s LYS 77 Cb -0.09 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 1x1v s LYS 77 CO -0.03 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1x1v n GLY 78 N -0.17 -1.19 3.07 -3.33 0.00 -0.86 -0.23 105.19 102.49 1x1v n GLY 78 Ca -0.09 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1x1v n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x1v s GLU 79 N -0.24 0.22 -0.01 1.61 2.02 -0.33 -1.15 118.70 120.82 1x1v s GLU 79 Ca 0.00 0.27 0.07 0.00 0.02 0.00 0.00 54.97 55.34 1x1v s GLU 79 Cb 0.00 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 1x1v s GLU 79 CO 0.00 -0.03 -0.23 -0.59 0.02 0.00 0.00 175.26 174.43 1x1v s PHE 80 N 0.13 2.08 0.29 1.61 -0.12 -0.61 -0.81 117.98 120.55 1x1v s PHE 80 Ca -0.00 -0.39 -0.20 0.00 -0.05 0.00 0.00 56.93 56.28 1x1v s PHE 80 Cb -0.02 -1.32 0.02 0.00 -0.63 0.00 0.00 43.02 41.07 1x1v s PHE 80 CO 0.00 -0.01 0.71 0.20 -0.05 0.00 0.00 175.22 176.08 1x1v s GLY 81 N -0.68 -0.01 0.24 1.99 0.00 -0.60 -0.89 107.32 107.36 1x1v s GLY 81 Ca 0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 1x1v s GLY 81 CO -0.00 -0.14 1.19 0.21 0.00 0.00 0.00 173.10 174.36 1x1v s ASN 82 N -2.94 7.09 -0.32 1.64 3.84 -1.26 -1.65 114.94 121.33 1x1v s ASN 82 Ca 0.12 2.32 -0.00 0.00 0.21 0.00 0.00 52.86 55.51 1x1v s ASN 82 Cb -0.06 -2.62 0.13 0.00 -0.55 0.00 0.00 41.25 38.16 1x1v s ASN 82 CO 0.08 -0.33 0.26 -0.47 -2.79 0.00 0.00 177.10 173.84 1x1v s TYR 83 N -0.55 0.01 -1.27 0.43 5.04 0.11 -4.91 117.35 116.22 1x1v s TYR 83 Ca 0.50 -0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 54.27 1x1v s TYR 83 Cb -0.34 -0.65 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 1x1v s TYR 83 CO 0.40 -0.89 0.68 0.72 -1.34 0.00 0.00 175.55 175.12 1x1v n HIS 84 N 4.77 -1.89 -0.61 4.97 8.25 -1.26 -2.91 115.22 126.54 1x1v n HIS 84 Ca 0.03 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1x1v n HIS 84 Cb 0.43 -4.02 0.00 0.00 1.12 0.00 0.00 29.99 27.52 1x1v n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x1v n GLY 85 N -1.66 0.74 2.88 -1.41 0.00 -1.26 -5.04 105.19 99.43 1x1v n GLY 85 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1x1v n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1v s VAL 86 N -2.51 0.27 -0.50 1.61 1.01 -1.15 -5.11 120.40 114.03 1x1v s VAL 86 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1x1v s VAL 86 Cb 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.11 1x1v s VAL 86 CO 0.00 0.13 1.11 -0.69 0.00 0.00 0.00 175.10 175.65 1x1v s VAL 87 N 0.54 4.21 0.26 2.92 1.01 -1.26 -0.71 120.40 127.37 1x1v s VAL 87 Ca -0.06 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1x1v s VAL 87 Cb -0.09 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 1x1v s VAL 87 CO -0.01 -1.06 0.04 0.68 0.00 0.00 0.00 175.10 174.75 1x1v s VAL 88 N 4.43 0.97 -0.22 2.92 -7.23 -0.66 -2.67 120.40 117.94 1x1v s VAL 88 Ca 0.45 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 1x1v s VAL 88 Cb -0.08 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1x1v s VAL 88 CO 0.29 -0.16 1.60 -0.69 -0.31 0.00 0.00 175.10 175.83 1x1v s VAL 89 N -3.46 3.72 -0.19 1.32 1.01 0.26 -1.56 120.40 121.49 1x1v s VAL 89 Ca 0.33 0.81 0.22 0.00 0.00 0.00 0.00 61.98 63.34 1x1v s VAL 89 Cb 0.07 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1x1v s VAL 89 CO 0.12 -0.30 0.92 0.61 0.00 0.00 0.00 175.10 176.45 1x1v n GLY 90 N 4.63 -1.36 3.18 4.51 0.00 0.01 -1.31 105.19 114.85 1x1v n GLY 90 Ca 0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1x1v n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1v s LYS 91 N -3.40 0.42 -0.14 1.61 1.02 -0.98 -2.79 119.74 115.49 1x1v s LYS 91 Ca -0.02 0.20 -0.09 0.00 0.02 0.00 0.00 55.97 56.08 1x1v s LYS 91 Cb 0.11 0.19 0.05 0.00 -0.52 0.00 0.00 37.83 37.66 1x1v s LYS 91 CO 0.82 -0.08 0.33 -1.17 -0.92 0.00 0.00 175.35 174.34 1x1v s LEU 92 N -0.30 0.32 0.08 3.17 0.20 -0.48 -1.19 118.68 120.48 1x1v s LEU 92 Ca -0.04 0.71 -0.05 0.00 0.69 0.00 0.00 54.13 55.44 1x1v s LEU 92 Cb -0.03 1.09 -0.02 0.00 -0.43 0.00 0.00 46.19 46.80 1x1v s LEU 92 CO 0.01 -0.16 0.10 -0.83 -0.29 0.00 0.00 176.35 175.18 1x1v s GLY 93 N 0.99 0.34 0.01 7.98 0.00 0.68 -0.14 107.32 117.18 1x1v s GLY 93 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1x1v s GLY 93 CO -0.07 -1.06 -0.02 -1.36 0.00 0.00 0.00 173.10 170.59 1x1v s PHE 94 N -3.91 0.17 0.04 1.90 0.40 -0.84 -1.03 117.98 114.70 1x1v s PHE 94 Ca 0.08 -0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1x1v s PHE 94 Cb 0.06 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.45 1x1v s PHE 94 CO -0.09 -0.09 -0.23 -1.54 0.70 0.00 0.00 175.22 173.97 1x1v s SER 95 N -0.75 2.80 0.49 1.36 1.04 -0.59 -0.25 113.70 117.80 1x1v s SER 95 Ca -0.08 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1x1v s SER 95 Cb -0.05 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.86 1x1v s SER 95 CO -0.00 0.22 0.40 0.35 0.98 0.00 0.00 173.24 175.18 1x1v n THR 96 N 1.89 0.00 0.67 2.02 -2.24 0.88 -1.28 114.28 116.22 1x1v n THR 96 Ca -0.17 -1.91 0.10 0.00 -2.27 0.00 0.00 64.05 59.80 1x1v n THR 96 Cb 0.53 -0.13 0.43 0.00 -2.10 0.00 0.00 70.33 69.06 1x1v n THR 96 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1x1v n ASN 97 N -1.90 0.07 -0.08 3.42 6.94 -1.11 -3.92 115.26 118.69 1x1v n ASN 97 Ca -0.00 0.51 -0.08 0.00 -0.02 0.00 0.00 54.58 54.99 1x1v n ASN 97 Cb 0.55 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 1x1v n ASN 97 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1x1v n LYS 98 N -1.57 0.46 -4.38 -3.83 4.76 -1.26 -5.06 118.16 107.28 1x1v n LYS 98 Ca 0.05 0.18 -0.19 0.00 -2.87 0.00 0.00 58.31 55.48 1x1v n LYS 98 Cb 0.24 -1.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.02 1x1v n LYS 98 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1x1v s LYS 99 N -2.72 1.50 -0.10 1.97 2.36 -1.25 -5.15 119.74 116.34 1x1v s LYS 99 Ca -0.25 -1.80 0.02 0.00 -2.55 0.00 0.00 55.97 51.39 1x1v s LYS 99 Cb 0.03 -0.64 -0.01 0.00 -1.05 0.00 0.00 37.83 36.16 1x1v s LYS 99 CO 0.37 -0.18 -0.19 0.45 1.55 0.00 0.00 175.35 177.35 1x1v s SER 100 N -3.39 3.55 -0.01 1.43 0.15 -1.26 -0.08 113.70 114.09 1x1v s SER 100 Ca 0.34 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.64 1x1v s SER 100 Cb 0.07 -1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 62.99 1x1v s SER 100 CO 0.13 0.19 -0.22 -0.31 1.20 0.00 0.00 173.24 174.23 1x1v s TYR 101 N 0.19 2.46 0.00 3.44 1.51 0.65 -5.00 117.35 120.60 1x1v s TYR 101 Ca -0.11 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1x1v s TYR 101 Cb -0.16 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1x1v s TYR 101 CO 0.06 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 1x1v n GLY 102 N 2.19 -1.53 3.79 0.71 0.00 -1.26 -1.99 105.19 107.10 1x1v n GLY 102 Ca -0.16 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1x1v n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1v s PRO 103 N 0.00 3.77 -0.07 1.61 0.04 -1.26 -4.96 135.00 134.14 1x1v s PRO 103 Ca 0.00 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 1x1v s PRO 103 Cb 0.00 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1x1v s PRO 103 CO 0.00 -0.47 0.03 -0.06 0.04 0.00 0.00 177.00 176.54 1x1v s PHE 104 N -1.86 3.23 0.00 0.56 0.40 0.80 -4.86 117.98 116.24 1x1v s PHE 104 Ca 0.67 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 57.22 1x1v s PHE 104 Cb -0.19 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1x1v s PHE 104 CO 0.23 0.52 0.00 0.41 0.70 0.00 0.00 175.22 177.08 1x1v n GLY 105 N 1.89 2.38 0.28 4.36 0.00 -1.26 -1.39 105.19 111.45 1x1v n GLY 105 Ca -0.17 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1x1v n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1v n ASN 106 N 0.00 0.70 -4.39 1.61 3.02 -0.89 -4.76 115.26 110.56 1x1v n ASN 106 Ca 0.00 -2.10 -0.40 0.00 -0.03 0.00 0.00 54.58 52.05 1x1v n ASN 106 Cb 0.00 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 38.85 1x1v n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x1v s THR 107 N -0.76 4.53 0.65 3.41 2.01 0.26 -4.95 115.64 120.79 1x1v s THR 107 Ca 0.08 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 1x1v s THR 107 Cb 0.07 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 1x1v s THR 107 CO 0.01 -0.16 1.08 -0.83 -0.69 0.00 0.00 174.62 174.03 1x1v s GLY 108 N 1.56 2.01 0.00 4.40 0.00 -1.26 -4.00 107.32 110.03 1x1v s GLY 108 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1x1v s GLY 108 CO 0.06 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1x1v n GLY 109 N -0.99 1.34 3.63 0.20 0.00 -1.26 -4.70 105.19 103.40 1x1v n GLY 109 Ca 0.09 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1x1v n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1v s THR 110 N -1.33 3.73 0.52 2.61 2.01 -0.07 -4.70 115.64 118.42 1x1v s THR 110 Ca 0.00 0.81 -0.19 0.00 0.31 0.00 0.00 61.69 62.62 1x1v s THR 110 Cb 0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 1x1v s THR 110 CO 0.00 -0.34 1.06 -2.16 -0.69 0.00 0.00 174.62 172.48 1x1v s PRO 111 N 4.72 3.62 0.15 4.92 0.04 -1.26 -1.58 135.00 145.62 1x1v s PRO 111 Ca 0.70 1.37 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1x1v s PRO 111 Cb -0.23 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1x1v s PRO 111 CO 0.29 -0.58 -0.01 -0.59 0.04 0.00 0.00 177.00 176.15 1x1v s PHE 112 N -2.05 1.10 -0.25 0.56 -0.12 -0.30 -4.94 117.98 111.99 1x1v s PHE 112 Ca 0.67 -1.02 -0.19 0.00 -0.05 0.00 0.00 56.93 56.34 1x1v s PHE 112 Cb -0.17 -0.63 0.07 0.00 -0.63 0.00 0.00 43.02 41.66 1x1v s PHE 112 CO 0.25 -0.24 0.64 -1.54 -0.05 0.00 0.00 175.22 174.28 1x1v s SER 113 N -3.13 -0.75 -0.53 1.98 1.04 -1.26 -2.02 113.70 109.03 1x1v s SER 113 Ca 0.21 1.34 0.04 0.00 0.48 0.00 0.00 55.95 58.02 1x1v s SER 113 Cb 0.06 1.30 0.16 0.00 0.10 0.00 0.00 66.02 67.64 1x1v s SER 113 CO 0.02 -0.23 0.37 -0.22 0.98 0.00 0.00 173.24 174.16 1x1v s LEU 114 N 0.85 3.06 -0.06 2.42 2.96 0.93 -5.00 118.68 123.84 1x1v s LEU 114 Ca -0.04 -3.23 -0.30 0.00 -0.22 0.00 0.00 54.13 50.34 1x1v s LEU 114 Cb -0.05 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1x1v s LEU 114 CO -0.07 -0.17 1.29 -2.16 -1.32 0.00 0.00 176.35 173.92 1x1v s PRO 115 N -0.42 4.30 -0.54 0.98 0.04 -1.26 -2.56 135.00 135.54 1x1v s PRO 115 Ca 0.25 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1x1v s PRO 115 Cb -0.08 -3.62 0.13 0.00 0.04 0.00 0.00 34.50 30.98 1x1v s PRO 115 CO -0.13 -0.55 0.48 0.42 0.04 0.00 0.00 177.00 177.26 1x1v s ILE 116 N 2.59 4.97 0.38 0.56 1.01 -1.02 -4.92 121.20 124.76 1x1v s ILE 116 Ca 0.59 -1.64 0.14 0.00 0.00 0.00 0.00 60.65 59.73 1x1v s ILE 116 Cb -0.26 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.12 1x1v s ILE 116 CO 0.22 -0.86 1.86 0.00 0.00 0.00 0.00 174.94 176.17 1x1v h ALA 117 N 8.70 1.42 -2.85 9.38 0.00 -1.94 -3.42 119.26 130.54 1x1v h ALA 117 Ca -0.25 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1x1v h ALA 117 Cb 1.09 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.54 1x1v h ALA 117 CO 0.98 0.41 -0.40 0.00 0.00 0.00 0.00 179.25 180.24 1x1v s ALA 118 N -4.24 -0.79 0.00 0.00 0.00 -1.26 -5.12 121.76 110.34 1x1v s ALA 118 Ca -0.03 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1x1v s ALA 118 Cb 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1x1v s ALA 118 CO 0.71 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1x1v n GLY 119 N 4.23 -0.99 3.61 0.00 0.00 -1.25 -4.94 105.19 105.84 1x1v n GLY 119 Ca -0.24 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.54 1x1v n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1v s LYS 120 N 0.00 1.50 0.07 1.61 -2.85 0.34 -4.79 119.74 115.62 1x1v s LYS 120 Ca 0.00 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 1x1v s LYS 120 Cb 0.00 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1x1v s LYS 120 CO 0.00 -0.66 0.99 0.42 0.10 0.00 0.00 175.35 176.20 1x1v s ILE 121 N -3.86 4.56 -0.06 3.79 1.01 0.59 -1.51 121.20 125.72 1x1v s ILE 121 Ca 0.08 1.99 0.02 0.00 0.00 0.00 0.00 60.65 62.74 1x1v s ILE 121 Cb -0.03 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1x1v s ILE 121 CO -0.02 0.24 0.06 -1.54 0.00 0.00 0.00 174.94 173.69 1x1v n SER 122 N 3.25 0.71 -3.21 3.58 3.41 -0.25 -4.57 113.62 116.54 1x1v n SER 122 Ca 0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1x1v n SER 122 Cb 0.49 1.01 0.01 0.00 -0.26 0.00 0.00 64.21 65.47 1x1v n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1v n GLY 123 N 1.23 0.47 3.01 5.00 0.00 -1.25 -0.55 105.19 113.10 1x1v n GLY 123 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1x1v n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1v s PHE 124 N -2.40 0.38 0.33 1.61 0.08 -1.25 -2.00 117.98 114.73 1x1v s PHE 124 Ca 0.23 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 1x1v s PHE 124 Cb -0.01 -0.26 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 1x1v s PHE 124 CO 0.02 -0.18 0.53 -0.59 -0.10 0.00 0.00 175.22 174.90 1x1v s PHE 125 N -1.66 0.74 -3.30 0.36 -0.12 -0.95 -1.46 117.98 111.59 1x1v s PHE 125 Ca -0.13 -1.09 0.00 0.00 -0.05 0.00 0.00 56.93 55.67 1x1v s PHE 125 Cb -0.08 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 1x1v s PHE 125 CO -0.01 -1.19 0.00 0.41 -0.05 0.00 0.00 175.22 174.38 1x1v n GLY 126 N -0.52 -0.27 2.96 1.99 0.00 -0.32 -0.24 105.19 108.80 1x1v n GLY 126 Ca -0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1x1v n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1v s ARG 127 N -2.00 0.34 -0.08 1.61 0.52 -0.84 -0.54 118.95 117.96 1x1v s ARG 127 Ca 0.00 -0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1x1v s ARG 127 Cb 0.00 -0.24 0.03 0.00 0.52 0.00 0.00 34.95 35.26 1x1v s ARG 127 CO 0.00 0.06 0.29 0.20 0.02 0.00 0.00 175.30 175.87 1x1v s GLY 128 N -0.57 -0.19 0.00 -3.53 0.00 -0.40 -1.93 107.32 100.70 1x1v s GLY 128 Ca -0.03 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1x1v s GLY 128 CO -0.00 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1x1v n GLY 129 N 2.48 3.10 0.29 0.20 0.00 -1.26 -0.18 105.19 109.82 1x1v n GLY 129 Ca -0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1x1v n GLY 129 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x1v h ASP 130 N 0.00 0.80 -3.97 1.61 -0.00 -1.92 -3.08 116.42 109.86 1x1v h ASP 130 Ca 0.00 -0.20 -0.34 0.00 -0.00 0.00 0.00 57.03 56.49 1x1v h ASP 130 Cb 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 39.33 39.04 1x1v h ASP 130 CO 0.00 0.86 -0.28 0.49 -0.00 0.00 0.00 179.24 180.31 1x1v n PHE 131 N -4.21 0.18 -2.61 0.28 3.01 -1.26 -3.47 117.46 109.38 1x1v n PHE 131 Ca 0.03 -1.56 -0.41 0.00 1.01 0.00 0.00 57.45 56.51 1x1v n PHE 131 Cb 0.31 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 1x1v n PHE 131 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1x1v s ILE 132 N -2.41 3.98 0.25 4.37 1.01 -0.38 -4.36 121.20 123.67 1x1v s ILE 132 Ca 0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1x1v s ILE 132 Cb 0.01 -4.98 0.24 0.00 0.01 0.00 0.00 42.46 37.74 1x1v s ILE 132 CO 0.07 -1.85 1.87 0.44 0.00 0.00 0.00 174.94 175.48 1x1v h ASP 133 N 9.73 0.97 -5.01 3.58 3.32 -1.74 0.76 116.42 128.04 1x1v h ASP 133 Ca 0.06 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1x1v h ASP 133 Cb 1.02 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.25 1x1v h ASP 133 CO 1.35 0.63 0.15 0.00 -1.72 0.00 0.00 179.24 179.65 1x1v s ALA 134 N -6.06 -1.48 -0.11 3.45 0.00 -0.81 -0.29 121.76 116.45 1x1v s ALA 134 Ca -0.13 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 1x1v s ALA 134 Cb 0.19 0.77 0.03 0.00 0.00 0.00 0.00 23.12 24.11 1x1v s ALA 134 CO 0.80 -0.71 0.34 -1.50 0.00 0.00 0.00 175.76 174.70 1x1v s ILE 135 N -3.51 0.01 0.33 0.00 2.07 -0.61 -1.99 121.20 117.50 1x1v s ILE 135 Ca 0.00 -0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.21 1x1v s ILE 135 Cb -0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1x1v s ILE 135 CO -0.11 -0.05 0.30 -0.83 -1.91 0.00 0.00 174.94 172.35 1x1v s GLY 136 N -0.10 2.21 -0.08 1.50 0.00 0.67 -0.29 107.32 111.23 1x1v s GLY 136 Ca -0.03 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 42.63 1x1v s GLY 136 CO 0.01 -1.41 0.20 0.54 0.00 0.00 0.00 173.10 172.45 1x1v s VAL 137 N -3.40 -0.01 0.14 1.40 0.11 -0.23 -2.24 120.40 116.17 1x1v s VAL 137 Ca 0.39 0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 59.23 1x1v s VAL 137 Cb 0.02 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.50 1x1v s VAL 137 CO 0.26 0.02 0.78 -0.31 -3.33 0.00 0.00 175.10 172.52 1x1v s TYR 138 N 0.38 3.87 0.04 1.54 1.51 -0.85 -0.77 117.35 123.07 1x1v s TYR 138 Ca -0.02 1.61 0.07 0.00 -1.01 0.00 0.00 57.07 57.72 1x1v s TYR 138 Cb -0.04 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.99 1x1v s TYR 138 CO -0.02 0.46 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.20 1x1v s LEU 139 N -0.90 2.66 0.08 -1.29 1.43 0.24 -1.09 118.68 119.81 1x1v s LEU 139 Ca 0.37 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1x1v s LEU 139 Cb -0.23 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1x1v s LEU 139 CO 0.26 0.26 0.15 -1.83 0.23 0.00 0.00 176.35 175.42 1x1v s GLU 140 N -1.45 0.79 0.00 1.70 -1.05 -0.57 -4.47 118.70 113.65 1x1v s GLU 140 Ca 0.15 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1x1v s GLU 140 Cb -0.11 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1x1v s GLU 140 CO 0.06 -0.24 0.43 -2.30 0.95 0.00 0.00 175.26 174.16