#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1maj s VAL 2 N 0.00 3.80 0.58 2.12 1.01 -1.26 -4.97 120.40 121.67 1maj s VAL 2 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.80 1maj s VAL 2 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1maj s VAL 2 CO 0.00 -0.07 1.15 -0.69 0.00 0.00 0.00 175.10 175.49 1maj s VAL 3 N 3.61 2.98 0.17 2.92 1.01 -1.26 -4.85 120.40 124.99 1maj s VAL 3 Ca 0.66 0.58 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1maj s VAL 3 Cb -0.30 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1maj s VAL 3 CO 0.25 -0.16 0.08 0.23 0.00 0.00 0.00 175.10 175.50 1maj n MET 4 N -1.58 0.59 -3.59 2.72 2.81 -1.26 -0.71 117.12 116.11 1maj n MET 4 Ca 0.12 -1.50 -0.15 0.00 -1.81 0.00 0.00 57.70 54.35 1maj n MET 4 Cb 0.51 0.94 -0.06 0.00 -0.71 0.00 0.00 33.22 33.90 1maj n MET 4 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1maj s THR 5 N -2.33 0.02 0.02 2.03 2.01 0.82 -4.87 115.64 113.35 1maj s THR 5 Ca 0.12 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1maj s THR 5 Cb 0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1maj s THR 5 CO 0.08 -0.10 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.79 1maj s GLN 6 N -1.76 0.33 0.24 4.92 -1.52 -1.26 -1.05 119.66 119.56 1maj s GLN 6 Ca -0.09 -0.61 -0.21 0.00 -1.95 0.00 0.00 55.36 52.50 1maj s GLN 6 Cb -0.01 0.12 0.03 0.00 -0.22 0.00 0.00 33.01 32.93 1maj s GLN 6 CO 0.04 -0.06 0.67 0.95 -0.25 0.00 0.00 175.29 176.64 1maj s THR 7 N -1.50 0.00 1.10 -0.19 -4.23 -0.20 -4.64 115.64 105.99 1maj s THR 7 Ca -0.16 -0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 59.46 1maj s THR 7 Cb -0.10 -1.70 0.25 0.00 1.34 0.00 0.00 72.50 72.30 1maj s THR 7 CO -0.01 -0.01 1.21 -2.16 -0.54 0.00 0.00 174.62 173.12 1maj s PRO 8 N -3.87 -0.44 0.21 3.99 0.04 -1.26 0.17 135.00 133.83 1maj s PRO 8 Ca 0.08 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 60.82 1maj s PRO 8 Cb -0.04 -1.71 0.17 0.00 0.04 0.00 0.00 34.50 32.96 1maj s PRO 8 CO 0.01 -3.16 1.58 -0.07 0.04 0.00 0.00 177.00 175.40 1maj h LEU 9 N -2.18 0.71 -7.91 -3.56 3.38 -1.85 -3.31 115.31 100.60 1maj h LEU 9 Ca -0.44 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.04 1maj h LEU 9 Cb 1.26 -0.20 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 1maj h LEU 9 CO 0.34 1.00 -0.69 -0.55 0.09 0.00 0.00 178.44 178.63 1maj s SER 10 N -6.83 0.17 -0.47 -0.43 0.15 -1.26 -0.76 113.70 104.27 1maj s SER 10 Ca -0.08 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1maj s SER 10 Cb 0.12 0.08 0.16 0.00 -1.71 0.00 0.00 66.02 64.68 1maj s SER 10 CO 0.84 -0.23 0.34 -0.22 1.20 0.00 0.00 173.24 175.16 1maj s LEU 11 N -1.10 2.26 -0.56 3.45 2.96 0.05 -4.83 118.68 120.92 1maj s LEU 11 Ca -0.12 -3.03 -0.27 0.00 -0.22 0.00 0.00 54.13 50.49 1maj s LEU 11 Cb -0.07 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1maj s LEU 11 CO -0.01 -0.19 1.94 -2.16 -1.32 0.00 0.00 176.35 174.62 1maj s PRO 12 N -0.06 2.62 0.00 0.98 0.04 -1.26 -3.60 135.00 133.73 1maj s PRO 12 Ca 0.27 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1maj s PRO 12 Cb -0.06 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1maj s PRO 12 CO -0.13 -2.72 0.00 1.33 0.04 0.00 0.00 177.00 175.52 1maj n VAL 13 N 7.36 0.00 -4.36 -0.36 0.24 -1.16 -4.76 118.33 115.29 1maj n VAL 13 Ca 0.23 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.31 1maj n VAL 13 Cb 0.52 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 1maj n VAL 13 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1maj s SER 14 N -0.56 2.13 -0.90 -1.34 0.01 -1.26 0.52 113.70 112.30 1maj s SER 14 Ca 0.00 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.44 1maj s SER 14 Cb 0.00 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.03 1maj s SER 14 CO 0.00 0.05 2.04 -0.76 0.41 0.00 0.00 173.24 174.98 1maj s LEU 15 N -1.51 3.09 0.00 2.44 1.43 -1.26 -1.33 118.68 121.54 1maj s LEU 15 Ca 0.04 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1maj s LEU 15 Cb -0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1maj s LEU 15 CO 0.03 -3.01 0.00 0.61 0.23 0.00 0.00 176.35 174.20 1maj n GLY 16 N 6.78 0.02 0.00 -3.19 0.00 0.31 -4.89 105.19 104.23 1maj n GLY 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1maj n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1maj n ASP 17 N 0.00 0.00 -4.34 1.61 2.03 -0.44 -4.60 116.55 110.81 1maj n ASP 17 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1maj n ASP 17 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1maj n ASP 17 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1maj s GLN 18 N 2.02 1.29 0.22 -0.67 -0.21 -1.26 -0.83 119.66 120.22 1maj s GLN 18 Ca 0.00 -1.44 0.05 0.00 0.02 0.00 0.00 55.36 53.99 1maj s GLN 18 Cb 0.00 -1.32 -0.05 0.00 1.00 0.00 0.00 33.01 32.64 1maj s GLN 18 CO 0.00 0.26 -0.05 0.00 -2.12 0.00 0.00 175.29 173.38 1maj s ALA 19 N -2.17 1.85 -0.34 6.09 0.00 -0.86 -4.89 121.76 121.43 1maj s ALA 19 Ca 0.17 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1maj s ALA 19 Cb -0.05 0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.53 1maj s ALA 19 CO 0.07 -0.15 0.71 -1.54 0.00 0.00 0.00 175.76 174.85 1maj s SER 20 N -3.30 -1.32 -0.12 0.00 1.04 -1.25 -1.70 113.70 107.05 1maj s SER 20 Ca 0.25 -0.27 -0.19 0.00 0.48 0.00 0.00 55.95 56.22 1maj s SER 20 Cb 0.04 1.75 -0.04 0.00 0.10 0.00 0.00 66.02 67.87 1maj s SER 20 CO 0.07 -0.19 0.50 -0.63 0.98 0.00 0.00 173.24 173.97 1maj s ILE 21 N 2.33 5.17 0.46 -1.02 1.09 0.50 -4.77 121.20 124.96 1maj s ILE 21 Ca 0.15 1.00 -0.05 0.00 -1.10 0.00 0.00 60.65 60.64 1maj s ILE 21 Cb -0.05 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1maj s ILE 21 CO -0.16 0.30 0.76 -0.44 -0.10 0.00 0.00 174.94 175.29 1maj s SER 22 N 0.70 6.29 -0.27 3.58 0.01 0.44 -0.72 113.70 123.74 1maj s SER 22 Ca 0.27 0.90 -0.22 0.00 1.31 0.00 0.00 55.95 58.20 1maj s SER 22 Cb -0.15 -2.23 0.08 0.00 0.21 0.00 0.00 66.02 63.92 1maj s SER 22 CO 0.11 -0.53 0.74 0.00 0.41 0.00 0.00 173.24 173.97 1maj s ARG 24 N 0.73 0.47 0.05 0.00 3.00 -0.22 -0.26 118.95 122.72 1maj s ARG 24 Ca -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 55.73 55.31 1maj s ARG 24 Cb -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 34.95 34.51 1maj s ARG 24 CO -0.05 0.09 -0.06 -1.12 0.00 0.00 0.00 175.30 174.15 1maj s SER 25 N -0.77 4.68 0.34 0.23 0.01 -1.18 -0.12 113.70 116.89 1maj s SER 25 Ca -0.03 -0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.12 1maj s SER 25 Cb -0.06 -1.06 0.84 0.00 0.21 0.00 0.00 66.02 65.96 1maj s SER 25 CO 0.00 0.23 1.82 -1.28 0.41 0.00 0.00 173.24 174.42 1maj h SER 26 N 4.06 0.66 -4.25 2.44 0.87 -1.25 -3.43 113.55 112.66 1maj h SER 26 Ca -0.48 0.07 -0.35 0.00 -1.23 0.00 0.00 61.79 59.80 1maj h SER 26 Cb 1.17 -0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 62.93 1maj h SER 26 CO 0.55 0.27 -0.64 -1.58 -0.53 0.00 0.00 176.83 174.90 1maj s GLN 27 N -5.71 1.31 0.32 2.24 0.74 -1.26 -5.06 119.66 112.24 1maj s GLN 27 Ca -0.10 -1.68 -0.29 0.00 0.05 0.00 0.00 55.36 53.34 1maj s GLN 27 Cb 0.24 -0.40 -0.11 0.00 1.10 0.00 0.00 33.01 33.84 1maj s GLN 27 CO 0.80 -0.18 1.44 0.45 -0.55 0.00 0.00 175.29 177.25 1maj s SER 28 N -3.28 6.55 -0.23 6.67 0.15 -1.26 -4.83 113.70 117.47 1maj s SER 28 Ca 0.31 2.84 0.08 0.00 0.70 0.00 0.00 55.95 59.87 1maj s SER 28 Cb 0.07 -2.65 0.56 0.00 -1.71 0.00 0.00 66.02 62.29 1maj s SER 28 CO 0.09 -0.74 1.50 0.18 1.20 0.00 0.00 173.24 175.47 1maj n LEU 29 N 1.29 4.88 -4.82 3.45 4.77 -1.11 -4.92 117.00 120.54 1maj n LEU 29 Ca 0.03 -2.52 -0.38 0.00 -0.03 0.00 0.00 56.01 53.11 1maj n LEU 29 Cb 0.40 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1maj n LEU 29 CO 0.62 0.65 0.18 -0.69 -1.33 0.00 0.00 177.39 176.82 1maj s VAL 30 N -2.31 4.90 0.00 4.08 1.01 -1.26 -3.41 120.40 123.40 1maj s VAL 30 Ca 0.40 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1maj s VAL 30 Cb 0.32 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1maj s VAL 30 CO 0.10 0.56 0.00 1.57 0.00 0.00 0.00 175.10 177.33 1maj n HIS 31 N 1.82 0.00 0.00 5.22 -0.00 0.53 -5.01 115.22 117.77 1maj n HIS 31 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 1maj n HIS 31 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 1maj n HIS 31 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1maj n SER 32 N 0.00 0.00 -3.87 0.26 3.41 -1.26 -4.83 113.62 107.33 1maj n SER 32 Ca 0.00 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 1maj n SER 32 Cb 0.00 -0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 63.48 1maj n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1maj s ASN 33 N -2.08 1.54 -0.86 4.04 2.20 -1.26 -4.80 114.94 113.72 1maj s ASN 33 Ca 0.00 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.75 1maj s ASN 33 Cb 0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 41.25 38.67 1maj s ASN 33 CO 0.00 -0.10 0.00 0.61 -2.94 0.00 0.00 177.10 174.67 1maj n GLY 34 N 4.58 0.70 3.21 0.45 0.00 -1.26 -4.86 105.19 108.01 1maj n GLY 34 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1maj n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1maj s ASN 35 N -1.71 5.97 0.12 1.61 -0.87 -1.26 -5.03 114.94 113.76 1maj s ASN 35 Ca 0.00 -2.71 0.02 0.00 -1.57 0.00 0.00 52.86 48.61 1maj s ASN 35 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.16 1maj s ASN 35 CO 0.00 -0.49 0.20 -0.89 -2.57 0.00 0.00 177.10 173.35 1maj s THR 36 N 0.15 5.06 -0.01 1.60 2.01 -1.26 -0.35 115.64 122.85 1maj s THR 36 Ca 0.16 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1maj s THR 36 Cb -0.16 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1maj s THR 36 CO -0.06 0.00 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.55 1maj s TYR 37 N -1.62 0.20 -0.20 4.92 2.02 -1.22 -4.88 117.35 116.57 1maj s TYR 37 Ca 0.33 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.71 1maj s TYR 37 Cb -0.12 -0.18 0.15 0.00 -0.40 0.00 0.00 41.96 41.41 1maj s TYR 37 CO 0.26 -0.03 1.13 -1.17 -1.57 0.00 0.00 175.55 174.17 1maj s LEU 38 N 0.23 -0.24 -0.23 -1.29 2.96 -1.26 -4.07 118.68 114.78 1maj s LEU 38 Ca -0.02 0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.03 1maj s LEU 38 Cb -0.04 1.57 0.10 0.00 0.50 0.00 0.00 46.19 48.32 1maj s LEU 38 CO -0.01 -0.24 0.50 0.21 -1.32 0.00 0.00 176.35 175.49 1maj s ASN 39 N -1.25 -0.56 0.28 3.68 2.47 -0.57 -2.28 114.94 116.71 1maj s ASN 39 Ca 0.03 1.18 -0.13 0.00 0.42 0.00 0.00 52.86 54.36 1maj s ASN 39 Cb -0.01 1.62 -0.08 0.00 -1.45 0.00 0.00 41.25 41.33 1maj s ASN 39 CO -0.03 -0.23 0.66 0.26 -3.72 0.00 0.00 177.10 174.04 1maj s TRP 40 N 2.62 3.41 0.18 0.43 0.52 0.13 0.49 118.94 126.72 1maj s TRP 40 Ca -0.04 1.08 0.09 0.00 0.02 0.00 0.00 56.10 57.26 1maj s TRP 40 Cb -0.12 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1maj s TRP 40 CO -0.15 0.18 -0.19 0.71 0.02 0.00 0.00 176.95 177.52 1maj s TYR 41 N -1.89 1.95 -0.20 -1.98 1.51 -0.54 -3.32 117.35 112.88 1maj s TYR 41 Ca 0.51 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1maj s TYR 41 Cb -0.11 -0.95 0.10 0.00 -0.11 0.00 0.00 41.96 40.88 1maj s TYR 41 CO 0.19 0.40 0.38 -1.17 -1.11 0.00 0.00 175.55 174.24 1maj s LEU 42 N -2.77 -0.57 -0.14 -1.29 2.96 -1.23 -2.46 118.68 113.17 1maj s LEU 42 Ca 0.18 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 1maj s LEU 42 Cb -0.06 1.16 -0.02 0.00 0.50 0.00 0.00 46.19 47.77 1maj s LEU 42 CO 0.08 -0.25 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.18 1maj s GLN 43 N 2.56 3.47 0.79 1.98 0.74 -0.45 -1.60 119.66 127.15 1maj s GLN 43 Ca 0.03 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.71 1maj s GLN 43 Cb -0.13 -2.74 0.07 0.00 1.10 0.00 0.00 33.01 31.31 1maj s GLN 43 CO -0.13 0.25 1.13 0.21 -0.55 0.00 0.00 175.29 176.20 1maj s LYS 44 N 0.30 2.11 0.43 1.67 2.47 -1.23 0.29 119.74 125.78 1maj s LYS 44 Ca -0.07 0.37 0.20 0.00 -1.56 0.00 0.00 55.97 54.91 1maj s LYS 44 Cb -0.15 -1.94 1.14 0.00 -1.46 0.00 0.00 37.83 35.42 1maj s LYS 44 CO 0.04 -1.54 1.82 0.00 0.16 0.00 0.00 175.35 175.83 1maj h ALA 45 N -1.02 2.31 -0.33 3.13 0.00 -1.94 -3.21 119.26 118.20 1maj h ALA 45 Ca -0.47 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 1maj h ALA 45 Cb 1.29 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 1maj h ALA 45 CO 0.63 -0.64 -0.65 0.41 0.00 0.00 0.00 179.25 179.00 1maj n GLY 46 N -1.53 1.49 3.16 0.00 0.00 -1.26 -5.10 105.19 101.95 1maj n GLY 46 Ca 0.22 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1maj n GLY 46 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1maj s GLN 47 N -1.06 0.72 0.33 1.61 0.74 -1.21 -5.13 119.66 115.66 1maj s GLN 47 Ca 0.22 -0.98 -0.29 0.00 0.05 0.00 0.00 55.36 54.37 1maj s GLN 47 Cb 0.42 0.28 -0.11 0.00 1.10 0.00 0.00 33.01 34.70 1maj s GLN 47 CO -0.05 -0.20 1.49 -1.54 -0.55 0.00 0.00 175.29 174.44 1maj s SER 48 N -2.70 6.43 -0.21 6.67 1.04 -1.26 -3.51 113.70 120.16 1maj s SER 48 Ca 0.03 2.95 -0.29 0.00 0.48 0.00 0.00 55.95 59.12 1maj s SER 48 Cb 0.04 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1maj s SER 48 CO -0.09 -0.83 1.84 -2.16 0.98 0.00 0.00 173.24 172.98 1maj s PRO 49 N -1.43 3.58 -0.06 4.02 0.04 -1.26 -4.56 135.00 135.34 1maj s PRO 49 Ca 0.56 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 1maj s PRO 49 Cb -0.46 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 29.87 1maj s PRO 49 CO 0.56 -1.57 0.53 0.15 0.04 0.00 0.00 177.00 176.70 1maj s LYS 50 N 5.27 4.29 -0.02 4.56 1.02 -0.62 -4.83 119.74 129.41 1maj s LYS 50 Ca 0.82 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 1maj s LYS 50 Cb -0.28 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 1maj s LYS 50 CO 0.33 0.30 1.38 -1.17 -0.92 0.00 0.00 175.35 175.27 1maj s LEU 51 N 0.12 4.31 0.00 3.17 2.96 -1.26 -3.57 118.68 124.40 1maj s LEU 51 Ca 0.28 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1maj s LEU 51 Cb -0.17 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1maj s LEU 51 CO 0.14 -0.71 0.00 0.18 -1.32 0.00 0.00 176.35 174.63 1maj n LEU 52 N 5.49 0.07 -4.66 -0.68 4.77 -1.21 -4.67 117.00 116.11 1maj n LEU 52 Ca 0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1maj n LEU 52 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1maj n LEU 52 CO 0.58 0.00 0.40 -0.63 -1.33 0.00 0.00 177.39 176.41 1maj s ILE 53 N 0.00 5.00 -0.18 -0.08 -1.09 -1.26 -0.45 121.20 123.14 1maj s ILE 53 Ca 0.00 1.22 0.16 0.00 -2.23 0.00 0.00 60.65 59.80 1maj s ILE 53 Cb 0.00 -3.96 0.55 0.00 -1.58 0.00 0.00 42.46 37.47 1maj s ILE 53 CO 0.00 0.09 1.44 0.00 -1.23 0.00 0.00 174.94 175.25 1maj n TYR 54 N 5.15 1.01 -3.63 3.97 0.18 -1.10 0.17 117.16 122.91 1maj n TYR 54 Ca -0.01 -0.88 -0.07 0.00 1.88 0.00 0.00 57.90 58.82 1maj n TYR 54 Cb 0.49 -0.33 -0.06 0.00 -0.38 0.00 0.00 39.34 39.06 1maj n TYR 54 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1maj s LYS 55 N -2.84 0.36 -0.60 -3.48 2.47 -0.96 -4.63 119.74 110.05 1maj s LYS 55 Ca 0.43 0.28 -0.37 0.00 -1.56 0.00 0.00 55.97 54.75 1maj s LYS 55 Cb 0.35 0.17 -0.17 0.00 -1.46 0.00 0.00 37.83 36.72 1maj s LYS 55 CO 0.09 -0.07 2.33 0.28 0.16 0.00 0.00 175.35 178.14 1maj n VAL 56 N 1.48 0.04 -2.80 4.02 0.31 -1.26 -1.88 118.33 118.24 1maj n VAL 56 Ca -0.10 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 1maj n VAL 56 Cb 0.57 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1maj n VAL 56 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1maj n SER 57 N 9.54 -6.94 -3.16 4.52 2.88 -1.12 -4.84 113.62 114.50 1maj n SER 57 Ca 0.54 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 58.13 1maj n SER 57 Cb 0.09 -4.67 -0.02 0.00 -0.75 0.00 0.00 64.21 58.86 1maj n SER 57 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1maj s ASN 58 N -2.79 -0.64 0.25 -3.46 2.47 -0.79 -5.00 114.94 104.99 1maj s ASN 58 Ca 0.03 0.43 -0.30 0.00 0.42 0.00 0.00 52.86 53.44 1maj s ASN 58 Cb -0.01 1.55 -0.09 0.00 -1.45 0.00 0.00 41.25 41.25 1maj s ASN 58 CO 0.64 -0.12 1.02 -0.13 -3.72 0.00 0.00 177.10 174.78 1maj s ARG 59 N 2.90 4.75 0.78 0.43 0.52 -1.26 -2.72 118.95 124.35 1maj s ARG 59 Ca 0.03 1.64 -0.11 0.00 -0.52 0.00 0.00 55.73 56.77 1maj s ARG 59 Cb -0.11 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.18 1maj s ARG 59 CO -0.13 0.36 1.09 0.12 0.02 0.00 0.00 175.30 176.76 1maj s PHE 60 N -1.12 2.58 0.23 -0.53 5.36 0.41 -4.87 117.98 120.04 1maj s PHE 60 Ca 0.43 1.55 -0.17 0.00 -0.96 0.00 0.00 56.93 57.78 1maj s PHE 60 Cb -0.29 -3.05 0.26 0.00 -0.34 0.00 0.00 43.02 39.60 1maj s PHE 60 CO 0.36 -1.81 1.55 0.77 -1.46 0.00 0.00 175.22 174.64 1maj h SER 61 N -1.14 -1.38 -1.08 6.13 0.02 -1.92 -0.30 113.55 113.88 1maj h SER 61 Ca -0.44 0.31 -0.67 0.00 -0.84 0.00 0.00 61.79 60.15 1maj h SER 61 Cb 1.23 0.74 -0.13 0.00 0.14 0.00 0.00 62.40 64.38 1maj h SER 61 CO 0.51 -0.29 1.92 0.61 -1.14 0.00 0.00 176.83 178.45 1maj n GLY 62 N -1.49 4.94 2.80 -3.77 0.00 -1.26 -4.83 105.19 101.58 1maj n GLY 62 Ca 0.11 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1maj n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1maj s VAL 63 N -1.29 -0.30 0.87 1.61 1.01 -0.13 -4.94 120.40 117.23 1maj s VAL 63 Ca 0.56 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1maj s VAL 63 Cb 0.23 -0.54 0.12 0.00 0.00 0.00 0.00 36.38 36.19 1maj s VAL 63 CO -0.12 -0.08 1.13 -2.16 0.00 0.00 0.00 175.10 173.87 1maj s PRO 64 N 2.32 1.41 0.56 2.72 0.04 -1.26 -4.69 135.00 136.09 1maj s PRO 64 Ca 0.05 1.45 0.25 0.00 0.04 0.00 0.00 61.00 62.79 1maj s PRO 64 Cb -0.14 -1.78 1.54 0.00 0.04 0.00 0.00 34.50 34.16 1maj s PRO 64 CO -0.10 -2.33 2.13 0.38 0.04 0.00 0.00 177.00 177.13 1maj h ASP 65 N -1.61 0.00 -0.96 6.66 2.03 -2.00 -2.72 116.42 117.82 1maj h ASP 65 Ca -0.43 0.00 0.31 0.00 -0.73 0.00 0.00 57.03 56.17 1maj h ASP 65 Cb 1.26 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.60 1maj h ASP 65 CO 0.45 0.00 0.40 -0.09 -1.03 0.00 0.00 179.24 178.97 1maj h ARG 66 N 0.00 0.19 -6.08 4.15 9.65 -1.95 -3.38 114.38 116.97 1maj h ARG 66 Ca 0.07 -0.01 -0.57 0.00 -1.10 0.00 0.00 59.98 58.37 1maj h ARG 66 Cb 0.32 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 1maj h ARG 66 CO -0.00 0.13 0.47 -0.06 2.80 0.00 0.00 179.97 183.30 1maj s PHE 67 N -5.76 3.46 0.13 2.20 0.40 -1.03 -0.10 117.98 117.28 1maj s PHE 67 Ca -0.11 1.40 0.09 0.00 -0.60 0.00 0.00 56.93 57.71 1maj s PHE 67 Cb 0.29 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1maj s PHE 67 CO 0.78 -0.23 -0.20 -1.12 0.70 0.00 0.00 175.22 175.15 1maj s SER 68 N 1.12 2.66 0.05 1.36 0.01 0.33 -4.84 113.70 114.38 1maj s SER 68 Ca 0.43 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1maj s SER 68 Cb -0.17 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1maj s SER 68 CO 0.15 0.04 0.38 -0.83 0.41 0.00 0.00 173.24 173.39 1maj s GLY 69 N -2.19 -0.23 -0.11 3.44 0.00 -1.26 -0.97 107.32 105.99 1maj s GLY 69 Ca 0.10 0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.90 1maj s GLY 69 CO 0.05 -0.04 0.35 -0.56 0.00 0.00 0.00 173.10 172.90 1maj s SER 70 N -2.07 -0.34 -0.03 1.64 0.01 -1.00 -2.80 113.70 109.10 1maj s SER 70 Ca -0.05 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1maj s SER 70 Cb -0.01 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.90 1maj s SER 70 CO -0.03 -0.18 0.00 -0.83 0.41 0.00 0.00 173.24 172.61 1maj s GLY 71 N -0.09 0.27 0.00 3.44 0.00 -1.26 -2.14 107.32 107.54 1maj s GLY 71 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1maj s GLY 71 CO 0.01 0.67 0.00 1.44 0.00 0.00 0.00 173.10 175.22 1maj n SER 72 N 4.28 0.00 -0.10 1.64 7.64 0.13 -5.01 113.62 122.20 1maj n SER 72 Ca -0.23 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.49 1maj n SER 72 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1maj n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1maj n GLY 73 N 5.00 -0.66 0.23 0.23 0.00 -1.26 -4.68 105.19 104.04 1maj n GLY 73 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1maj n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1maj n THR 74 N -4.44 1.41 -4.34 2.61 -2.24 -1.26 -2.75 114.28 103.27 1maj n THR 74 Ca -0.26 -1.74 -0.19 0.00 -2.27 0.00 0.00 64.05 59.60 1maj n THR 74 Cb 0.58 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 1maj n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1maj s ASP 75 N -2.42 1.29 -0.16 3.42 2.15 -1.26 -3.13 116.67 116.56 1maj s ASP 75 Ca 0.24 -0.32 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 1maj s ASP 75 Cb 0.22 -0.10 0.05 0.00 -0.30 0.00 0.00 42.92 42.78 1maj s ASP 75 CO 0.01 0.05 0.40 -0.36 -0.17 0.00 0.00 175.17 175.10 1maj s PHE 76 N -0.59 -0.49 0.00 -5.34 0.08 0.64 -0.69 117.98 111.59 1maj s PHE 76 Ca 0.01 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.20 1maj s PHE 76 Cb -0.06 0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.57 1maj s PHE 76 CO 0.00 -0.26 -0.01 0.99 -0.10 0.00 0.00 175.22 175.85 1maj s THR 77 N 0.63 0.07 -0.27 0.64 2.01 -0.91 0.28 115.64 118.10 1maj s THR 77 Ca -0.03 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1maj s THR 77 Cb -0.05 -0.09 0.05 0.00 0.01 0.00 0.00 72.50 72.43 1maj s THR 77 CO -0.04 -0.03 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.57 1maj s LEU 78 N -0.15 3.51 -0.03 4.42 0.20 0.11 -2.38 118.68 124.35 1maj s LEU 78 Ca -0.01 -1.26 0.07 0.00 0.69 0.00 0.00 54.13 53.62 1maj s LEU 78 Cb -0.01 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1maj s LEU 78 CO -0.00 -0.20 -0.25 -1.59 -0.29 0.00 0.00 176.35 174.03 1maj s LYS 79 N 1.19 2.19 -0.10 1.98 -2.85 -0.14 -0.37 119.74 121.63 1maj s LYS 79 Ca -0.06 -0.88 -0.03 0.00 -1.00 0.00 0.00 55.97 54.00 1maj s LYS 79 Cb -0.19 -2.01 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 1maj s LYS 79 CO -0.04 0.47 0.02 0.42 0.10 0.00 0.00 175.35 176.32 1maj s ILE 80 N -0.41 4.49 0.18 3.79 1.09 -0.69 -0.51 121.20 129.13 1maj s ILE 80 Ca 0.04 -0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1maj s ILE 80 Cb -0.11 -2.91 -0.08 0.00 -1.06 0.00 0.00 42.46 38.30 1maj s ILE 80 CO 0.01 0.59 1.47 0.28 -0.10 0.00 0.00 174.94 177.18 1maj h SER 81 N 5.38 0.60 -2.86 3.58 0.02 -0.81 -2.29 113.55 117.18 1maj h SER 81 Ca -0.49 -0.35 -0.60 0.00 -0.84 0.00 0.00 61.79 59.52 1maj h SER 81 Cb 1.19 -0.18 -0.39 0.00 0.14 0.00 0.00 62.40 63.17 1maj h SER 81 CO 0.57 1.08 -0.82 -0.13 -1.14 0.00 0.00 176.83 176.38 1maj s ARG 82 N -3.86 1.00 -0.26 3.45 0.52 -1.25 -4.42 118.95 114.13 1maj s ARG 82 Ca -0.07 -1.87 -0.28 0.00 -0.52 0.00 0.00 55.73 52.99 1maj s ARG 82 Cb 0.11 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.74 1maj s ARG 82 CO 0.85 -1.24 1.88 0.08 0.02 0.00 0.00 175.30 176.89 1maj s VAL 83 N 0.43 3.37 0.54 3.52 1.01 -0.01 -4.78 120.40 124.47 1maj s VAL 83 Ca 0.22 0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.65 1maj s VAL 83 Cb -0.16 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1maj s VAL 83 CO -0.05 -0.26 0.52 -1.61 0.00 0.00 0.00 175.10 173.69 1maj s GLU 84 N 5.59 2.30 0.49 2.72 2.02 -1.26 0.11 118.70 130.67 1maj s GLU 84 Ca 0.84 -1.86 0.24 0.00 0.02 0.00 0.00 54.97 54.21 1maj s GLU 84 Cb -0.27 -2.29 1.31 0.00 0.10 0.00 0.00 34.13 32.98 1maj s GLU 84 CO 0.34 -0.65 1.92 0.00 0.02 0.00 0.00 175.26 176.88 1maj h ALA 85 N 0.61 2.50 -0.16 5.21 0.00 -1.93 0.18 119.26 125.67 1maj h ALA 85 Ca -0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1maj h ALA 85 Cb 1.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1maj h ALA 85 CO 0.52 -0.73 -0.29 0.93 0.00 0.00 0.00 179.25 179.69 1maj h GLU 86 N 0.15 0.30 0.00 0.00 4.39 -1.98 -2.32 114.58 115.12 1maj h GLU 86 Ca 0.38 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 1maj h GLU 86 Cb 1.27 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1maj h GLU 86 CO -0.06 0.56 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.91 1maj h ASP 87 N 0.26 0.00 -3.73 1.42 5.19 -1.00 -3.44 116.42 115.12 1maj h ASP 87 Ca 0.04 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.90 1maj h ASP 87 Cb 0.65 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.27 1maj h ASP 87 CO 0.05 0.00 0.69 0.18 -3.12 0.00 0.00 179.24 177.05 1maj n LEU 88 N -3.10 4.41 0.00 1.55 4.77 -0.88 -4.85 117.00 118.90 1maj n LEU 88 Ca -0.01 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1maj n LEU 88 Cb 0.21 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1maj n LEU 88 CO 0.24 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1maj n GLY 89 N 0.57 0.97 3.89 -0.72 0.00 -0.29 -4.29 105.19 105.31 1maj n GLY 89 Ca 0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1maj n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1maj s ILE 90 N -1.67 4.83 0.06 -0.61 1.09 0.15 -0.57 121.20 124.46 1maj s ILE 90 Ca 0.00 0.48 0.05 0.00 -1.10 0.00 0.00 60.65 60.07 1maj s ILE 90 Cb 0.00 -3.83 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1maj s ILE 90 CO 0.00 -0.83 -0.13 -0.31 -0.10 0.00 0.00 174.94 173.57 1maj s TYR 91 N -2.74 1.11 0.16 3.97 2.02 0.12 -1.34 117.35 120.65 1maj s TYR 91 Ca 0.50 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 1maj s TYR 91 Cb -0.10 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1maj s TYR 91 CO 0.43 0.03 0.27 -0.06 -1.57 0.00 0.00 175.55 174.65 1maj s PHE 92 N -1.16 0.41 -0.28 2.71 0.40 -1.03 -1.64 117.98 117.39 1maj s PHE 92 Ca -0.02 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1maj s PHE 92 Cb -0.09 -0.08 0.09 0.00 0.51 0.00 0.00 43.02 43.45 1maj s PHE 92 CO 0.02 -0.71 0.08 0.00 0.70 0.00 0.00 175.22 175.31 1maj s SER 94 N 1.69 5.57 -0.13 0.00 0.01 0.18 -4.43 113.70 116.59 1maj s SER 94 Ca 0.06 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.26 1maj s SER 94 Cb -0.17 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.23 1maj s SER 94 CO -0.21 -1.17 -0.05 0.00 0.41 0.00 0.00 173.24 172.22 1maj s GLN 95 N -5.16 1.34 -0.16 12.44 -2.07 -1.00 -1.51 119.66 123.55 1maj s GLN 95 Ca 0.56 -0.29 0.07 0.00 -1.82 0.00 0.00 55.36 53.87 1maj s GLN 95 Cb -0.11 -1.65 0.45 0.00 -1.09 0.00 0.00 33.01 30.61 1maj s GLN 95 CO 0.48 -0.34 1.27 0.25 -1.32 0.00 0.00 175.29 175.64 1maj n THR 96 N 4.95 1.70 0.02 3.63 -2.24 -1.26 -4.00 114.28 117.08 1maj n THR 96 Ca -0.11 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.60 1maj n THR 96 Cb 0.49 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1maj n THR 96 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1maj h THR 97 N 1.92 0.71 -3.48 4.28 2.02 -1.87 -3.46 112.91 113.03 1maj h THR 97 Ca 0.07 -2.37 -0.67 0.00 0.77 0.00 0.00 66.41 64.21 1maj h THR 97 Cb 1.49 2.56 -0.20 0.00 -1.74 0.00 0.00 68.15 70.26 1maj h THR 97 CO 0.35 0.87 -0.83 -1.00 0.37 0.00 0.00 175.52 175.28 1maj s HIS 98 N -2.55 2.34 -0.07 3.16 3.76 -1.26 -5.06 115.29 115.61 1maj s HIS 98 Ca -0.21 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1maj s HIS 98 Cb 0.06 -1.20 -0.02 0.00 1.11 0.00 0.00 32.58 32.52 1maj s HIS 98 CO 0.78 0.44 -0.13 0.08 -0.85 0.00 0.00 174.74 175.05 1maj s VAL 99 N -1.41 3.11 0.34 -0.90 1.01 -1.26 -2.00 120.40 119.29 1maj s VAL 99 Ca 0.18 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1maj s VAL 99 Cb -0.09 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1maj s VAL 99 CO 0.09 0.58 1.13 -2.16 0.00 0.00 0.00 175.10 174.74 1maj s PRO 100 N -0.50 4.35 -0.27 2.72 0.04 -1.26 -4.74 135.00 135.35 1maj s PRO 100 Ca 0.07 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 1maj s PRO 100 Cb -0.12 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1maj s PRO 100 CO 0.02 -0.05 1.90 -1.25 0.04 0.00 0.00 177.00 177.66 1maj s PRO 101 N -1.92 3.36 0.54 0.56 0.04 -0.84 -4.76 135.00 131.96 1maj s PRO 101 Ca 0.51 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 1maj s PRO 101 Cb -0.31 -4.23 -0.05 0.00 0.04 0.00 0.00 34.50 29.96 1maj s PRO 101 CO 0.39 -1.83 1.25 0.95 0.04 0.00 0.00 177.00 177.79 1maj s THR 102 N 7.02 2.56 0.00 1.26 -4.23 -1.26 -4.80 115.64 116.20 1maj s THR 102 Ca 0.85 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 1maj s THR 102 Cb -0.26 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1maj s THR 102 CO 0.34 -0.04 0.00 0.49 -0.54 0.00 0.00 174.62 174.87 1maj n PHE 103 N -1.12 0.00 0.00 3.99 3.72 -1.26 -2.36 117.46 120.43 1maj n PHE 103 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1maj n PHE 103 Cb 0.48 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1maj n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1maj n GLY 104 N 2.18 0.47 0.00 1.37 0.00 -1.26 -0.63 105.19 107.33 1maj n GLY 104 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1maj n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maj n GLY 105 N 0.00 1.17 0.00 -0.02 0.00 -1.25 -4.87 105.19 100.21 1maj n GLY 105 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1maj n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maj n GLY 106 N 0.02 -0.50 3.16 -0.02 0.00 -0.65 -4.79 105.19 102.41 1maj n GLY 106 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1maj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1maj s THR 107 N 0.00 -0.01 -0.37 2.61 2.01 -1.09 -3.52 115.64 115.28 1maj s THR 107 Ca 0.00 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1maj s THR 107 Cb 0.00 -0.40 0.09 0.00 0.01 0.00 0.00 72.50 72.20 1maj s THR 107 CO 0.00 0.01 0.14 -0.54 -0.69 0.00 0.00 174.62 173.53 1maj s LYS 108 N 0.32 2.14 -1.05 4.92 1.02 0.06 0.13 119.74 127.27 1maj s LYS 108 Ca -0.01 -1.63 -0.19 0.00 0.02 0.00 0.00 55.97 54.16 1maj s LYS 108 Cb -0.03 -3.45 0.11 0.00 -0.52 0.00 0.00 37.83 33.94 1maj s LYS 108 CO -0.01 -0.92 1.34 -1.17 -0.92 0.00 0.00 175.35 173.68 1maj s LEU 109 N 1.18 4.49 -0.08 3.17 0.20 0.26 -0.77 118.68 127.14 1maj s LEU 109 Ca 0.04 -2.12 -0.00 0.00 0.69 0.00 0.00 54.13 52.74 1maj s LEU 109 Cb -0.22 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.05 1maj s LEU 109 CO -0.03 -1.13 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.23 1maj s GLU 110 N 3.27 2.88 0.89 1.98 2.02 -1.24 -1.14 118.70 127.36 1maj s GLU 110 Ca 0.41 -0.52 -0.13 0.00 0.02 0.00 0.00 54.97 54.75 1maj s GLU 110 Cb -0.02 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.61 1maj s GLU 110 CO -0.06 0.64 0.74 1.51 0.02 0.00 0.00 175.26 178.11 1maj n ILE 111 N 2.32 0.57 -2.91 -1.63 3.06 -1.26 -2.97 119.36 116.54 1maj n ILE 111 Ca -0.18 -0.17 -0.43 0.00 -2.50 0.00 0.00 62.75 59.47 1maj n ILE 111 Cb 0.53 -0.83 -0.05 0.00 0.54 0.00 0.00 39.64 39.83 1maj n ILE 111 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1maj s LYS 112 N -3.86 3.41 0.00 9.51 1.02 0.18 -4.63 119.74 125.38 1maj s LYS 112 Ca 0.63 -0.10 0.30 0.00 0.02 0.00 0.00 55.97 56.82 1maj s LYS 112 Cb -0.25 -3.97 1.45 0.00 -0.52 0.00 0.00 37.83 34.54 1maj s LYS 112 CO 0.61 -1.23 1.97 2.89 -0.92 0.00 0.00 175.35 178.67