#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 3.14 0.92 5.18 1.01 -1.26 -4.96 120.40 124.42 1maj s VAL 2 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1maj s VAL 2 Cb 0.00 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.37 1maj s VAL 2 CO 0.00 -0.08 1.13 -0.69 0.00 0.00 0.00 175.10 175.46 1maj s VAL 3 N 6.86 2.01 -0.32 2.92 1.01 -1.26 -4.68 120.40 126.95 1maj s VAL 3 Ca 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 1maj s VAL 3 Cb -0.33 -2.73 0.10 0.00 0.00 0.00 0.00 36.38 33.42 1maj s VAL 3 CO 0.36 -0.01 0.11 -0.04 0.00 0.00 0.00 175.10 175.52 1maj s MET 4 N -5.25 0.70 0.22 2.72 -1.94 -1.26 -0.82 119.30 113.67 1maj s MET 4 Ca 0.64 -1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 53.41 1maj s MET 4 Cb -0.15 -1.92 -0.07 0.00 2.01 0.00 0.00 34.83 34.69 1maj s MET 4 CO 0.54 -1.01 0.59 0.99 -0.01 0.00 0.00 175.02 176.12 1maj s THR 5 N 1.57 4.85 0.03 2.05 2.01 0.18 -3.91 115.64 122.42 1maj s THR 5 Ca 0.10 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1maj s THR 5 Cb -0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1maj s THR 5 CO -0.24 0.00 0.02 -1.58 -0.69 0.00 0.00 174.62 172.13 1maj s GLN 6 N -2.58 0.47 -0.13 4.92 -0.44 -1.26 0.35 119.66 120.98 1maj s GLN 6 Ca 0.46 -0.76 -0.29 0.00 -2.50 0.00 0.00 55.36 52.27 1maj s GLN 6 Cb -0.12 0.17 0.07 0.00 -1.64 0.00 0.00 33.01 31.49 1maj s GLN 6 CO 0.20 -0.10 0.71 0.99 0.50 0.00 0.00 175.29 177.59 1maj s THR 7 N -2.30 0.00 0.90 -0.34 2.01 0.22 -4.65 115.64 111.49 1maj s THR 7 Ca -0.08 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 1maj s THR 7 Cb -0.03 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.65 1maj s THR 7 CO -0.04 0.00 1.25 -2.16 -0.69 0.00 0.00 174.62 172.98 1maj s PRO 8 N -0.60 0.99 0.33 4.92 0.04 -1.26 0.94 135.00 140.35 1maj s PRO 8 Ca -0.07 -0.47 0.16 0.00 0.04 0.00 0.00 61.00 60.66 1maj s PRO 8 Cb -0.02 -1.95 0.51 0.00 0.04 0.00 0.00 34.50 33.08 1maj s PRO 8 CO 0.06 -2.14 1.66 -0.07 0.04 0.00 0.00 177.00 176.55 1maj h LEU 9 N -1.37 0.00 -8.08 -3.56 -0.00 -1.90 -3.42 115.31 96.99 1maj h LEU 9 Ca -0.43 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.22 1maj h LEU 9 Cb 1.25 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.70 1maj h LEU 9 CO 0.42 0.48 -0.72 -0.44 -0.00 0.00 0.00 178.44 178.18 1maj s SER 10 N -6.57 0.58 -0.42 -0.43 0.01 -1.26 -0.81 113.70 104.80 1maj s SER 10 Ca -0.00 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1maj s SER 10 Cb 0.11 0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.55 1maj s SER 10 CO 0.72 -0.23 0.28 -0.22 0.41 0.00 0.00 173.24 174.19 1maj s LEU 11 N -1.47 1.90 -0.60 2.44 2.96 0.15 -4.86 118.68 119.20 1maj s LEU 11 Ca -0.12 -2.71 -0.27 0.00 -0.22 0.00 0.00 54.13 50.81 1maj s LEU 11 Cb -0.10 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.90 1maj s LEU 11 CO -0.00 -0.24 1.69 -2.16 -1.32 0.00 0.00 176.35 174.32 1maj s PRO 12 N 0.36 2.89 0.39 0.98 0.04 -1.26 -4.29 135.00 134.12 1maj s PRO 12 Ca 0.23 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.82 1maj s PRO 12 Cb -0.14 -4.30 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 1maj s PRO 12 CO -0.07 -2.43 0.08 1.33 0.04 0.00 0.00 177.00 175.95 1maj n VAL 13 N 7.05 0.00 -4.30 -0.36 0.24 -1.25 -4.32 118.33 115.39 1maj n VAL 13 Ca 0.17 -2.12 -0.28 0.00 -2.04 0.00 0.00 64.34 60.07 1maj n VAL 13 Cb 0.51 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 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 -3.32 4.34 -1.01 -1.34 0.01 -1.26 0.15 113.70 111.27 1maj s SER 14 Ca 0.12 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.89 1maj s SER 14 Cb 0.01 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1maj s SER 14 CO 0.08 -0.76 1.20 -0.76 0.41 0.00 0.00 173.24 173.41 1maj s LEU 15 N -3.97 5.14 0.00 2.44 1.43 -1.26 -3.74 118.68 118.72 1maj s LEU 15 Ca 0.29 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 1maj s LEU 15 Cb 0.02 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1maj s LEU 15 CO 0.16 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1maj n GLY 16 N 4.99 0.91 0.00 -3.19 0.00 -0.80 -4.89 105.19 102.21 1maj n GLY 16 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1maj n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1maj n ASP 17 N 0.00 -0.16 -4.45 1.61 9.92 -1.25 -4.52 116.55 117.71 1maj n ASP 17 Ca 0.00 -0.61 -0.33 0.00 -0.53 0.00 0.00 54.79 53.32 1maj n ASP 17 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1maj n ASP 17 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1maj s GLN 18 N -2.08 2.61 0.36 -1.24 -0.21 -1.26 -2.95 119.66 114.90 1maj s GLN 18 Ca 0.00 -0.71 0.08 0.00 0.02 0.00 0.00 55.36 54.75 1maj s GLN 18 Cb 0.00 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.56 1maj s GLN 18 CO 0.00 0.55 0.06 0.00 -2.12 0.00 0.00 175.29 173.78 1maj s ALA 19 N -0.55 3.31 -0.29 6.09 0.00 -0.79 -4.94 121.76 124.59 1maj s ALA 19 Ca 0.08 -2.01 0.05 0.00 0.00 0.00 0.00 51.96 50.08 1maj s ALA 19 Cb -0.11 -0.36 0.20 0.00 0.00 0.00 0.00 23.12 22.84 1maj s ALA 19 CO 0.01 -0.00 0.62 -1.54 0.00 0.00 0.00 175.76 174.85 1maj s SER 20 N -3.77 -1.56 -0.06 0.00 1.04 -1.26 -0.28 113.70 107.81 1maj s SER 20 Ca 0.36 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1maj s SER 20 Cb 0.01 1.99 -0.04 0.00 0.10 0.00 0.00 66.02 68.08 1maj s SER 20 CO 0.20 -0.29 0.20 -0.63 0.98 0.00 0.00 173.24 173.71 1maj s ILE 21 N 2.84 5.41 -0.08 -1.02 1.01 -0.81 -4.78 121.20 123.77 1maj s ILE 21 Ca 0.11 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 1maj s ILE 21 Cb -0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1maj s ILE 21 CO -0.26 0.49 0.08 -0.44 0.00 0.00 0.00 174.94 174.81 1maj s SER 22 N -1.41 5.84 -0.34 3.58 0.01 0.27 0.26 113.70 121.91 1maj s SER 22 Ca 0.21 0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.79 1maj s SER 22 Cb -0.13 -1.77 0.15 0.00 0.21 0.00 0.00 66.02 64.49 1maj s SER 22 CO 0.11 0.37 0.37 0.00 0.41 0.00 0.00 173.24 174.50 1maj s ARG 24 N 1.85 2.80 0.36 0.00 1.70 0.15 -2.61 118.95 123.20 1maj s ARG 24 Ca 0.14 -1.20 0.09 0.00 -0.47 0.00 0.00 55.73 54.28 1maj s ARG 24 Cb -0.14 -2.51 -0.07 0.00 -0.57 0.00 0.00 34.95 31.66 1maj s ARG 24 CO -0.15 0.21 -0.06 -1.12 -1.08 0.00 0.00 175.30 173.11 1maj s SER 25 N -3.93 3.81 0.00 -2.89 0.01 -1.25 0.48 113.70 109.93 1maj s SER 25 Ca 0.38 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1maj s SER 25 Cb -0.07 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1maj s SER 25 CO 0.26 -0.28 0.72 -1.20 0.41 0.00 0.00 173.24 173.15 1maj n SER 26 N -0.86 0.00 -4.92 2.44 7.64 -0.00 -4.80 113.62 113.13 1maj n SER 26 Ca -0.05 0.83 -0.27 0.00 1.01 0.00 0.00 58.87 60.40 1maj n SER 26 Cb 0.64 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1maj n SER 26 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1maj s GLN 27 N -2.35 3.27 0.19 1.43 0.74 -1.26 -4.96 119.66 116.73 1maj s GLN 27 Ca 0.00 0.05 -0.32 0.00 0.05 0.00 0.00 55.36 55.14 1maj s GLN 27 Cb 0.00 -2.36 -0.12 0.00 1.10 0.00 0.00 33.01 31.63 1maj s GLN 27 CO 0.00 -0.38 1.71 -1.13 -0.55 0.00 0.00 175.29 174.94 1maj n SER 28 N -2.35 3.85 -1.50 6.67 3.41 -1.26 -4.80 113.62 117.64 1maj n SER 28 Ca 0.02 1.06 -0.07 0.00 -0.26 0.00 0.00 58.87 59.61 1maj n SER 28 Cb 0.56 -1.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.00 1maj n SER 28 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1maj n LEU 29 N 4.01 4.89 -4.53 1.04 4.77 -0.82 -4.82 117.00 121.54 1maj n LEU 29 Ca 0.16 -2.43 -0.41 0.00 -0.03 0.00 0.00 56.01 53.30 1maj n LEU 29 Cb 0.34 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 1maj n LEU 29 CO 0.64 0.87 0.06 -0.69 -1.33 0.00 0.00 177.39 176.93 1maj s VAL 30 N -1.01 5.15 1.09 4.08 1.01 -1.26 -1.42 120.40 128.03 1maj s VAL 30 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1maj s VAL 30 Cb 0.12 -3.88 0.24 0.00 0.00 0.00 0.00 36.38 32.87 1maj s VAL 30 CO 0.01 -0.17 1.07 -2.28 0.00 0.00 0.00 175.10 173.73 1maj s HIS 31 N 2.05 1.72 0.29 5.22 2.46 -0.77 -4.80 115.29 121.47 1maj s HIS 31 Ca 0.12 1.01 0.35 0.00 0.47 0.00 0.00 55.06 57.00 1maj s HIS 31 Cb -0.17 -3.21 1.88 0.00 -0.13 0.00 0.00 32.58 30.96 1maj s HIS 31 CO 0.12 -3.38 2.06 1.03 -2.47 0.00 0.00 174.74 172.10 1maj h SER 32 N -2.25 0.00 0.39 9.88 0.87 -1.96 0.67 113.55 121.15 1maj h SER 32 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1maj h SER 32 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1maj h SER 32 CO 0.54 0.00 -0.18 -0.46 -0.53 0.00 0.00 176.83 176.21 1maj n ASN 33 N -2.72 0.57 0.00 6.23 0.23 -1.26 -4.91 115.26 113.40 1maj n ASN 33 Ca -0.02 -0.53 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 1maj n ASN 33 Cb 0.06 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1maj n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1maj n GLY 34 N 1.33 2.86 3.70 4.83 0.00 0.23 -5.03 105.19 113.12 1maj n GLY 34 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 7.27 -0.08 1.61 -0.87 -1.26 -4.68 114.94 115.64 1maj s ASN 35 Ca 0.00 1.69 -0.30 0.00 -1.57 0.00 0.00 52.86 52.69 1maj s ASN 35 Cb 0.00 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 1maj s ASN 35 CO 0.00 -0.36 1.04 -0.89 -2.57 0.00 0.00 177.10 174.31 1maj s THR 36 N 1.36 4.70 -0.45 1.60 2.01 -1.26 -1.84 115.64 121.75 1maj s THR 36 Ca 0.52 1.96 -0.10 0.00 0.31 0.00 0.00 61.69 64.38 1maj s THR 36 Cb -0.22 -4.26 0.10 0.00 0.01 0.00 0.00 72.50 68.13 1maj s THR 36 CO 0.25 0.03 0.33 -0.31 -0.69 0.00 0.00 174.62 174.23 1maj s TYR 37 N 1.87 3.35 -0.14 4.92 2.02 -0.51 -4.12 117.35 124.74 1maj s TYR 37 Ca 0.50 -1.58 -0.07 0.00 -0.37 0.00 0.00 57.07 55.56 1maj s TYR 37 Cb -0.20 -3.25 0.06 0.00 -0.40 0.00 0.00 41.96 38.17 1maj s TYR 37 CO 0.20 -0.91 0.33 -1.17 -1.57 0.00 0.00 175.55 172.43 1maj s LEU 38 N 1.44 -0.03 0.32 -1.29 0.20 -1.26 -3.60 118.68 114.46 1maj s LEU 38 Ca 0.04 0.73 0.09 0.00 0.69 0.00 0.00 54.13 55.68 1maj s LEU 38 Cb -0.25 1.03 -0.05 0.00 -0.43 0.00 0.00 46.19 46.48 1maj s LEU 38 CO 0.02 -0.20 -0.01 0.21 -0.29 0.00 0.00 176.35 176.07 1maj s ASN 39 N 1.70 4.15 0.23 3.68 3.84 -0.79 -1.74 114.94 126.00 1maj s ASN 39 Ca -0.07 -0.96 0.10 0.00 0.21 0.00 0.00 52.86 52.14 1maj s ASN 39 Cb -0.10 -0.54 -0.05 0.00 -0.55 0.00 0.00 41.25 40.01 1maj s ASN 39 CO -0.11 -0.18 -0.18 0.26 -2.79 0.00 0.00 177.10 174.11 1maj s TRP 40 N -2.50 1.97 -0.01 0.43 0.52 0.14 -2.12 118.94 117.38 1maj s TRP 40 Ca 0.34 -0.46 -0.07 0.00 0.02 0.00 0.00 56.10 55.93 1maj s TRP 40 Cb -0.01 -0.90 0.00 0.00 -1.15 0.00 0.00 33.47 31.41 1maj s TRP 40 CO 0.19 0.50 0.13 0.71 0.02 0.00 0.00 176.95 178.50 1maj s TYR 41 N -2.60 0.02 -0.66 -1.98 2.02 0.87 -4.25 117.35 110.76 1maj s TYR 41 Ca 0.24 -0.06 0.05 0.00 -0.37 0.00 0.00 57.07 56.93 1maj s TYR 41 Cb -0.03 -0.04 0.17 0.00 -0.40 0.00 0.00 41.96 41.66 1maj s TYR 41 CO 0.10 -0.25 0.48 -0.11 -1.57 0.00 0.00 175.55 174.20 1maj n LEU 42 N 1.71 2.50 -4.80 -1.29 7.94 -0.80 -0.17 117.00 122.10 1maj n LEU 42 Ca -0.21 -5.09 -0.36 0.00 -1.11 0.00 0.00 56.01 49.24 1maj n LEU 42 Cb 0.56 -0.55 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1maj n LEU 42 CO 0.21 1.78 0.60 -1.10 -1.11 0.00 0.00 177.39 177.77 1maj s GLN 43 N -1.26 4.45 0.32 1.96 -1.52 -0.20 -2.67 119.66 120.73 1maj s GLN 43 Ca 0.26 1.19 0.03 0.00 -1.95 0.00 0.00 55.36 54.90 1maj s GLN 43 Cb -0.02 -2.69 -0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1maj s GLN 43 CO -0.17 0.24 0.07 0.21 -0.25 0.00 0.00 175.29 175.39 1maj s LYS 44 N -2.27 1.64 -0.74 2.91 2.20 -1.26 -0.43 119.74 121.78 1maj s LYS 44 Ca 0.51 -1.92 -0.26 0.00 -0.36 0.00 0.00 55.97 53.95 1maj s LYS 44 Cb -0.16 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.36 1maj s LYS 44 CO 0.21 -0.23 2.03 0.00 -0.36 0.00 0.00 175.35 177.00 1maj s ALA 45 N -3.36 1.71 -1.03 3.13 0.00 -1.26 -3.32 121.76 117.62 1maj s ALA 45 Ca 0.36 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1maj s ALA 45 Cb 0.08 -4.45 -0.00 0.00 0.00 0.00 0.00 23.12 18.75 1maj s ALA 45 CO 0.15 -4.61 0.86 0.41 0.00 0.00 0.00 175.76 172.58 1maj n GLY 46 N 6.35 -0.28 1.55 0.00 0.00 -1.26 -5.02 105.19 106.54 1maj n GLY 46 Ca 0.34 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 1maj n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1maj n GLN 47 N -3.67 0.26 -3.16 1.61 -0.06 -1.21 -5.12 117.38 106.03 1maj n GLN 47 Ca -0.24 -1.61 -0.41 0.00 -2.00 0.00 0.00 57.00 52.73 1maj n GLN 47 Cb 0.64 1.27 -0.07 0.00 -4.06 0.00 0.00 30.24 28.02 1maj n GLN 47 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1maj s SER 48 N -2.13 6.40 0.36 1.69 0.15 -1.26 -4.66 113.70 114.24 1maj s SER 48 Ca 0.18 0.13 -0.28 0.00 0.70 0.00 0.00 55.95 56.68 1maj s SER 48 Cb 0.01 -2.31 -0.10 0.00 -1.71 0.00 0.00 66.02 61.91 1maj s SER 48 CO 0.13 -0.53 1.32 -2.16 1.20 0.00 0.00 173.24 173.19 1maj s PRO 49 N 2.58 4.23 -0.07 5.44 0.04 -1.26 -4.83 135.00 141.13 1maj s PRO 49 Ca 0.22 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.50 1maj s PRO 49 Cb -0.15 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1maj s PRO 49 CO 0.14 -0.29 -0.08 0.21 0.04 0.00 0.00 177.00 177.01 1maj s LYS 50 N -1.94 2.71 -0.27 4.56 2.47 -1.09 -4.88 119.74 121.30 1maj s LYS 50 Ca 0.51 -0.57 -0.10 0.00 -1.56 0.00 0.00 55.97 54.25 1maj s LYS 50 Cb -0.40 -2.56 -0.04 0.00 -1.46 0.00 0.00 37.83 33.37 1maj s LYS 50 CO 0.52 0.66 0.16 -1.17 0.16 0.00 0.00 175.35 175.68 1maj s LEU 51 N -0.80 3.89 -0.16 5.43 2.96 -1.26 -1.90 118.68 126.83 1maj s LEU 51 Ca 0.12 -0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 1maj s LEU 51 Cb -0.11 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1maj s LEU 51 CO 0.01 -0.04 -0.29 0.18 -1.32 0.00 0.00 176.35 174.90 1maj n LEU 52 N 4.97 1.82 -4.40 -0.68 4.32 -1.26 -4.64 117.00 117.12 1maj n LEU 52 Ca -0.15 0.40 -0.33 0.00 -0.02 0.00 0.00 56.01 55.92 1maj n LEU 52 Cb 0.52 -0.76 -0.14 0.00 -1.62 0.00 0.00 43.42 41.42 1maj n LEU 52 CO 0.33 -0.34 -0.44 -0.63 -1.22 0.00 0.00 177.39 175.09 1maj s ILE 53 N -2.64 3.15 -0.36 -0.08 -1.09 -1.26 -0.75 121.20 118.17 1maj s ILE 53 Ca -0.24 -0.63 0.12 0.00 -2.23 0.00 0.00 60.65 57.67 1maj s ILE 53 Cb 0.03 -2.32 -0.15 0.00 -1.58 0.00 0.00 42.46 38.44 1maj s ILE 53 CO 0.35 0.53 0.42 0.00 -1.23 0.00 0.00 174.94 175.02 1maj n TYR 54 N 3.33 0.00 -3.29 3.97 4.11 -1.22 0.27 117.16 124.32 1maj n TYR 54 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.67 1maj n TYR 54 Cb 0.53 -0.11 -0.06 0.00 -0.00 0.00 0.00 39.34 39.70 1maj n TYR 54 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1maj s LYS 55 N -2.41 0.41 0.00 -3.48 1.02 -0.71 -3.59 119.74 110.98 1maj s LYS 55 Ca 0.01 0.68 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1maj s LYS 55 Cb 0.09 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1maj s LYS 55 CO 0.50 -0.63 0.00 1.55 -0.92 0.00 0.00 175.35 175.85 1maj n VAL 56 N 5.38 0.00 0.00 3.17 3.14 -0.89 -1.22 118.33 127.91 1maj n VAL 56 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1maj n VAL 56 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1maj n VAL 56 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1maj n SER 57 N 0.07 0.48 -4.63 6.55 2.88 -1.23 -2.96 113.62 114.78 1maj n SER 57 Ca 0.00 -0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 57.08 1maj n SER 57 Cb 0.00 0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 1maj n SER 57 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1maj s ASN 58 N -0.26 6.07 0.38 -3.46 2.20 -0.36 -4.50 114.94 115.01 1maj s ASN 58 Ca 0.00 1.93 -0.26 0.00 -0.94 0.00 0.00 52.86 53.59 1maj s ASN 58 Cb 0.00 -2.52 -0.09 0.00 -2.00 0.00 0.00 41.25 36.64 1maj s ASN 58 CO 0.00 -1.46 1.14 -0.13 -2.94 0.00 0.00 177.10 173.71 1maj s ARG 59 N 5.22 4.17 1.13 3.55 0.52 -1.26 -3.43 118.95 128.85 1maj s ARG 59 Ca 0.85 1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 57.67 1maj s ARG 59 Cb -0.31 -2.74 0.25 0.00 0.52 0.00 0.00 34.95 32.67 1maj s ARG 59 CO 0.34 -0.20 1.12 0.12 0.02 0.00 0.00 175.30 176.70 1maj s PHE 60 N -1.42 1.03 0.07 -0.53 5.36 0.07 -4.92 117.98 117.64 1maj s PHE 60 Ca 0.55 0.63 -0.25 0.00 -0.96 0.00 0.00 56.93 56.90 1maj s PHE 60 Cb -0.29 -3.43 -0.16 0.00 -0.34 0.00 0.00 43.02 38.79 1maj s PHE 60 CO 0.37 -3.53 1.63 0.66 -1.46 0.00 0.00 175.22 172.89 1maj h SER 61 N -2.33 -0.15 -0.32 6.13 4.64 -1.91 -3.28 113.55 116.34 1maj h SER 61 Ca -0.48 -0.06 -0.71 0.00 -0.47 0.00 0.00 61.79 60.06 1maj h SER 61 Cb 1.30 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.37 1maj h SER 61 CO 0.42 -0.03 2.86 0.61 -0.87 0.00 0.00 176.83 179.82 1maj n GLY 62 N -0.95 4.28 2.74 -0.77 0.00 -1.26 -4.87 105.19 104.36 1maj n GLY 62 Ca -0.08 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 2.86 -0.01 -1.57 1.61 1.01 -1.24 -4.74 120.40 118.32 1maj s VAL 63 Ca 0.46 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1maj s VAL 63 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1maj s VAL 63 CO -0.06 0.14 0.31 -0.81 0.00 0.00 0.00 175.10 174.69 1maj n PRO 64 N 4.65 0.40 -0.03 2.72 -0.04 -1.26 -4.76 135.00 136.67 1maj n PRO 64 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1maj n PRO 64 Cb 0.50 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1maj n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1maj n ASP 65 N -0.15 0.00 -0.48 3.54 8.00 -1.26 -4.70 116.55 121.49 1maj n ASP 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1maj n ASP 65 Cb 0.04 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1maj n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1maj n ARG 66 N -2.00 0.85 -4.01 -1.24 1.74 -1.26 -4.68 116.66 106.06 1maj n ARG 66 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1maj n ARG 66 Cb 0.00 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1maj n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1maj s PHE 67 N -1.04 0.31 -0.32 -1.55 0.40 -1.26 -0.36 117.98 114.16 1maj s PHE 67 Ca 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1maj s PHE 67 Cb 0.00 -0.28 0.14 0.00 0.51 0.00 0.00 43.02 43.38 1maj s PHE 67 CO 0.00 -0.06 0.29 -1.12 0.70 0.00 0.00 175.22 175.04 1maj s SER 68 N 0.37 1.82 0.46 1.36 0.01 -0.39 -4.90 113.70 112.44 1maj s SER 68 Ca -0.04 -1.15 -0.21 0.00 1.31 0.00 0.00 55.95 55.87 1maj s SER 68 Cb -0.06 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 66.44 1maj s SER 68 CO -0.01 -0.35 1.01 -0.83 0.41 0.00 0.00 173.24 173.47 1maj s GLY 69 N 1.98 2.49 -0.25 3.44 0.00 -1.26 -2.95 107.32 110.78 1maj s GLY 69 Ca 0.12 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1maj s GLY 69 CO -0.23 0.87 0.46 -0.56 0.00 0.00 0.00 173.10 173.65 1maj s SER 70 N -2.00 -0.36 -0.10 1.64 0.01 -0.85 -3.49 113.70 108.55 1maj s SER 70 Ca 0.65 0.69 -0.07 0.00 1.31 0.00 0.00 55.95 58.53 1maj s SER 70 Cb -0.15 1.51 0.03 0.00 0.21 0.00 0.00 66.02 67.62 1maj s SER 70 CO 0.18 -0.27 0.24 -0.83 0.41 0.00 0.00 173.24 172.98 1maj s GLY 71 N 2.66 -0.16 0.00 3.44 0.00 -1.24 -2.06 107.32 109.96 1maj s GLY 71 Ca 0.09 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1maj s GLY 71 CO -0.16 0.87 0.00 -1.14 0.00 0.00 0.00 173.10 172.66 1maj n SER 72 N 3.50 0.00 -0.09 1.64 3.41 -1.26 -4.83 113.62 116.00 1maj n SER 72 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1maj n SER 72 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1maj n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1maj n GLY 73 N 2.71 -0.83 2.45 5.00 0.00 -1.26 -4.81 105.19 108.46 1maj n GLY 73 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.52 0.14 -2.75 2.61 -2.24 -1.26 -1.95 114.28 104.31 1maj n THR 74 Ca -0.17 -3.34 -0.07 0.00 -2.27 0.00 0.00 64.05 58.20 1maj n THR 74 Cb 0.44 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1maj n THR 74 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1maj n ASP 75 N 0.14 -2.97 -4.57 3.42 -0.08 -1.26 -3.90 116.55 107.33 1maj n ASP 75 Ca 0.15 -3.07 -0.40 0.00 -1.51 0.00 0.00 54.79 49.96 1maj n ASP 75 Cb 0.72 1.74 -0.09 0.00 2.34 0.00 0.00 41.12 45.83 1maj n ASP 75 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1maj s PHE 76 N 0.73 3.22 -0.15 -0.67 0.40 -1.07 -3.71 117.98 116.73 1maj s PHE 76 Ca 0.31 0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.84 1maj s PHE 76 Cb 0.16 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1maj s PHE 76 CO -0.18 -0.36 -0.08 0.99 0.70 0.00 0.00 175.22 176.29 1maj s THR 77 N 2.11 3.44 -0.85 0.64 2.01 -0.87 -0.95 115.64 121.17 1maj s THR 77 Ca 0.15 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.41 1maj s THR 77 Cb -0.16 -2.49 0.08 0.00 0.01 0.00 0.00 72.50 69.95 1maj s THR 77 CO 0.11 0.50 1.17 -0.22 -0.69 0.00 0.00 174.62 175.50 1maj s LEU 78 N 0.44 4.25 -0.19 4.42 0.20 0.14 -2.01 118.68 125.94 1maj s LEU 78 Ca -0.07 -1.40 -0.19 0.00 0.69 0.00 0.00 54.13 53.17 1maj s LEU 78 Cb -0.15 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 1maj s LEU 78 CO 0.04 -1.38 0.53 -0.54 -0.29 0.00 0.00 176.35 174.71 1maj s LYS 79 N 4.01 4.21 -0.18 1.98 1.02 -1.15 -1.92 119.74 127.70 1maj s LYS 79 Ca 0.33 0.44 -0.10 0.00 0.02 0.00 0.00 55.97 56.66 1maj s LYS 79 Cb -0.08 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1maj s LYS 79 CO -0.01 -0.13 0.14 0.42 -0.92 0.00 0.00 175.35 174.85 1maj s ILE 80 N 1.57 5.42 -0.24 2.17 1.01 0.61 -1.26 121.20 130.48 1maj s ILE 80 Ca 0.25 0.21 0.18 0.00 0.00 0.00 0.00 60.65 61.29 1maj s ILE 80 Cb -0.15 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 38.96 1maj s ILE 80 CO 0.10 0.47 1.38 0.77 0.00 0.00 0.00 174.94 177.65 1maj h SER 81 N 6.40 0.00 -2.27 3.58 4.64 -1.00 -2.09 113.55 122.82 1maj h SER 81 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1maj h SER 81 Cb 1.16 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 1maj h SER 81 CO 0.73 0.32 -0.23 -0.60 -0.87 0.00 0.00 176.83 176.18 1maj s ARG 82 N -3.07 0.47 -0.22 4.77 6.06 -1.25 -4.56 118.95 121.16 1maj s ARG 82 Ca 0.04 1.26 -0.22 0.00 -2.50 0.00 0.00 55.73 54.31 1maj s ARG 82 Cb 0.07 0.61 -0.02 0.00 0.06 0.00 0.00 34.95 35.67 1maj s ARG 82 CO 0.74 -0.22 0.69 0.08 -2.50 0.00 0.00 175.30 174.09 1maj s VAL 83 N 2.70 4.96 0.43 7.11 1.01 -1.15 -4.90 120.40 130.56 1maj s VAL 83 Ca -0.04 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1maj s VAL 83 Cb -0.12 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1maj s VAL 83 CO -0.16 0.05 0.35 -1.61 0.00 0.00 0.00 175.10 173.72 1maj s GLU 84 N 2.26 2.43 0.46 2.72 0.41 -1.26 -1.90 118.70 123.81 1maj s GLU 84 Ca 0.31 -1.66 0.12 0.00 -0.41 0.00 0.00 54.97 53.32 1maj s GLU 84 Cb -0.16 -2.26 1.05 0.00 -1.78 0.00 0.00 34.13 30.98 1maj s GLU 84 CO 0.10 -0.24 2.09 0.00 -0.49 0.00 0.00 175.26 176.71 1maj h ALA 85 N 1.06 1.86 -0.01 5.21 0.00 -1.96 0.54 119.26 125.96 1maj h ALA 85 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1maj h ALA 85 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1maj h ALA 85 CO 0.60 0.11 -0.05 -0.85 0.00 0.00 0.00 179.25 179.06 1maj n GLU 86 N -4.50 1.00 0.09 0.00 0.28 -1.26 -3.29 120.64 112.96 1maj n GLU 86 Ca 0.01 -0.33 0.12 0.00 -0.16 0.00 0.00 57.16 56.80 1maj n GLU 86 Cb 0.11 -1.49 0.07 0.00 1.43 0.00 0.00 31.44 31.55 1maj n GLU 86 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1maj h ASP 87 N 0.80 0.00 -3.82 -1.84 3.58 -1.26 -3.46 116.42 110.41 1maj h ASP 87 Ca 0.00 -0.09 -0.50 0.00 0.42 0.00 0.00 57.03 56.86 1maj h ASP 87 Cb 0.28 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.35 1maj h ASP 87 CO 0.00 0.05 0.48 -0.76 -2.88 0.00 0.00 179.24 176.12 1maj s LEU 88 N -4.96 4.51 0.00 2.28 1.43 -1.19 -4.86 118.68 115.89 1maj s LEU 88 Ca 0.02 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1maj s LEU 88 Cb 0.11 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1maj s LEU 88 CO 0.76 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.75 1maj n GLY 89 N 1.10 -0.28 3.15 -3.19 0.00 0.16 -4.97 105.19 101.17 1maj n GLY 89 Ca -0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.00 2.61 -0.39 -0.61 1.09 0.42 -0.62 121.20 119.70 1maj s ILE 90 Ca 0.00 -1.25 -0.20 0.00 -1.10 0.00 0.00 60.65 58.10 1maj s ILE 90 Cb 0.00 -2.39 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 1maj s ILE 90 CO 0.00 0.12 0.61 -0.31 -0.10 0.00 0.00 174.94 175.26 1maj s TYR 91 N 1.25 3.12 0.35 3.97 2.02 -0.28 -1.03 117.35 126.74 1maj s TYR 91 Ca -0.03 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1maj s TYR 91 Cb -0.18 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 1maj s TYR 91 CO -0.05 -0.71 0.03 1.19 -1.57 0.00 0.00 175.55 174.44 1maj n PHE 92 N 6.06 0.64 -3.94 2.71 3.01 0.76 -0.23 117.46 126.47 1maj n PHE 92 Ca -0.02 -1.68 -0.12 0.00 1.01 0.00 0.00 57.45 56.63 1maj n PHE 92 Cb 0.48 -0.23 -0.01 0.00 -0.01 0.00 0.00 39.48 39.71 1maj n PHE 92 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1maj s SER 94 N -3.07 -0.30 0.22 0.00 1.04 -0.90 0.12 113.70 110.80 1maj s SER 94 Ca 0.23 0.47 0.08 0.00 0.48 0.00 0.00 55.95 57.21 1maj s SER 94 Cb -0.02 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1maj s SER 94 CO 0.17 -0.17 0.06 0.00 0.98 0.00 0.00 173.24 174.28 1maj s GLN 95 N -0.39 2.56 -0.02 4.02 -2.07 -1.14 -1.88 119.66 120.74 1maj s GLN 95 Ca 0.03 -1.15 0.03 0.00 -1.82 0.00 0.00 55.36 52.45 1maj s GLN 95 Cb -0.03 -2.39 0.04 0.00 -1.09 0.00 0.00 33.01 29.54 1maj s GLN 95 CO -0.06 0.42 0.82 0.25 -1.32 0.00 0.00 175.29 175.40 1maj n THR 96 N -0.61 0.50 0.05 3.63 -2.24 -1.24 -3.95 114.28 110.42 1maj n THR 96 Ca -0.08 -0.55 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 1maj n THR 96 Cb 0.57 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 1maj n THR 96 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1maj h THR 97 N 2.70 1.36 -2.04 4.28 1.35 -1.89 -3.46 112.91 115.21 1maj h THR 97 Ca 0.00 -2.32 -0.53 0.00 -0.55 0.00 0.00 66.41 63.01 1maj h THR 97 Cb 0.96 2.33 -0.07 0.00 -1.73 0.00 0.00 68.15 69.64 1maj h THR 97 CO 0.00 0.70 -0.55 -1.00 -0.25 0.00 0.00 175.52 174.42 1maj s HIS 98 N -3.37 2.82 -0.02 4.73 3.76 -1.26 -4.98 115.29 116.97 1maj s HIS 98 Ca -0.07 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 1maj s HIS 98 Cb 0.09 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 1maj s HIS 98 CO 0.88 0.44 -0.15 0.54 -0.85 0.00 0.00 174.74 175.60 1maj s VAL 99 N -2.32 1.23 0.71 -0.90 0.11 -1.26 -3.23 120.40 114.74 1maj s VAL 99 Ca 0.35 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 58.64 1maj s VAL 99 Cb -0.05 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1maj s VAL 99 CO 0.23 0.35 1.09 -2.16 -3.33 0.00 0.00 175.10 171.28 1maj s PRO 100 N -0.19 2.64 0.01 1.54 0.04 -1.26 -5.03 135.00 132.75 1maj s PRO 100 Ca 0.02 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 1maj s PRO 100 Cb -0.08 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1maj s PRO 100 CO 0.00 -1.35 1.91 -1.25 0.04 0.00 0.00 177.00 176.36 1maj s PRO 101 N -4.64 4.12 -0.05 0.56 0.04 -1.20 -4.95 135.00 128.88 1maj s PRO 101 Ca 0.62 2.52 -0.18 0.00 0.04 0.00 0.00 61.00 64.00 1maj s PRO 101 Cb -0.17 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1maj s PRO 101 CO 0.50 -0.96 0.50 0.95 0.04 0.00 0.00 177.00 178.03 1maj s THR 102 N 4.48 5.06 0.34 1.26 -4.23 -1.25 -4.96 115.64 116.32 1maj s THR 102 Ca 0.86 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 62.10 1maj s THR 102 Cb -0.41 -3.83 -0.12 0.00 1.34 0.00 0.00 72.50 69.49 1maj s THR 102 CO 0.39 0.42 1.42 0.49 -0.54 0.00 0.00 174.62 176.80 1maj n PHE 103 N 2.91 2.62 0.00 3.99 3.01 -1.26 -2.89 117.46 125.84 1maj n PHE 103 Ca -0.09 0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.83 1maj n PHE 103 Cb 0.52 -2.49 0.00 0.00 -0.01 0.00 0.00 39.48 37.49 1maj n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1maj n GLY 104 N 1.03 -1.65 0.00 1.37 0.00 0.32 -4.37 105.19 101.89 1maj n GLY 104 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 3.13 -1.34 3.09 -0.02 0.00 -1.25 -4.61 105.19 104.20 1maj n GLY 105 Ca 0.00 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.64 1maj n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1maj s GLY 106 N -0.72 -0.95 -0.02 -0.02 0.00 -1.26 -3.06 107.32 101.29 1maj s GLY 106 Ca 0.00 2.22 0.01 0.00 0.00 0.00 0.00 44.72 46.95 1maj s GLY 106 CO 0.00 4.23 0.01 -1.59 0.00 0.00 0.00 173.10 175.74 1maj s THR 107 N 2.86 4.24 -0.03 0.90 2.01 0.67 -4.87 115.64 121.42 1maj s THR 107 Ca 0.30 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.58 1maj s THR 107 Cb 0.01 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1maj s THR 107 CO -0.22 0.42 0.59 -0.75 -0.69 0.00 0.00 174.62 173.98 1maj s LYS 108 N -1.43 4.33 -0.45 4.92 2.36 0.01 -1.13 119.74 128.36 1maj s LYS 108 Ca 0.18 0.72 0.02 0.00 -2.55 0.00 0.00 55.97 54.35 1maj s LYS 108 Cb -0.12 -3.37 0.14 0.00 -1.05 0.00 0.00 37.83 33.44 1maj s LYS 108 CO 0.09 0.30 0.25 -1.17 1.55 0.00 0.00 175.35 176.38 1maj s LEU 109 N 0.03 2.69 -0.50 5.43 2.96 0.21 0.32 118.68 129.82 1maj s LEU 109 Ca 0.31 -2.69 0.08 0.00 -0.22 0.00 0.00 54.13 51.61 1maj s LEU 109 Cb -0.18 -1.02 0.35 0.00 0.50 0.00 0.00 46.19 45.84 1maj s LEU 109 CO 0.16 -0.26 0.87 -0.62 -1.32 0.00 0.00 176.35 175.19 1maj n GLU 110 N 3.46 2.39 -1.44 1.98 1.02 -1.26 0.37 120.64 127.16 1maj n GLU 110 Ca 0.10 -4.30 0.17 0.00 -0.02 0.00 0.00 57.16 53.12 1maj n GLU 110 Cb 0.35 -2.03 -0.09 0.00 -0.02 0.00 0.00 31.44 29.65 1maj n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1maj n ILE 111 N -0.05 -0.66 -2.83 -3.67 2.08 -1.26 -4.57 119.36 108.40 1maj n ILE 111 Ca 0.29 0.80 -0.43 0.00 0.56 0.00 0.00 62.75 63.97 1maj n ILE 111 Cb 0.50 -1.28 -0.04 0.00 -0.75 0.00 0.00 39.64 38.07 1maj n ILE 111 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1maj s LYS 112 N -4.06 3.37 0.00 0.38 -2.85 0.39 -3.84 119.74 113.13 1maj s LYS 112 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1maj s LYS 112 Cb 0.00 -4.03 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 1maj s LYS 112 CO 0.00 -1.44 0.00 2.89 0.10 0.00 0.00 175.35 176.90