#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1put s LYS 2 N 0.00 1.24 0.10 4.33 2.20 -1.26 -4.72 119.74 121.62 1put s LYS 2 Ca 0.00 -1.65 -0.15 0.00 -0.36 0.00 0.00 55.97 53.81 1put s LYS 2 Cb 0.00 0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1put s LYS 2 CO 0.00 -0.35 0.37 0.08 -0.36 0.00 0.00 175.35 175.09 1put s VAL 3 N -4.02 0.08 -0.27 4.02 1.01 -0.94 -1.94 120.40 118.33 1put s VAL 3 Ca 0.37 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1put s VAL 3 Cb 0.07 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.43 1put s VAL 3 CO 0.12 -0.36 0.59 -0.69 0.00 0.00 0.00 175.10 174.76 1put s VAL 4 N -3.47 -0.84 0.19 2.92 1.01 -0.44 -1.38 120.40 118.38 1put s VAL 4 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1put s VAL 4 Cb 0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1put s VAL 4 CO -0.09 0.02 0.35 -0.31 0.00 0.00 0.00 175.10 175.06 1put s TYR 5 N 2.74 3.48 0.01 5.22 2.02 -0.41 -0.84 117.35 129.57 1put s TYR 5 Ca -0.05 0.20 0.04 0.00 -0.37 0.00 0.00 57.07 56.89 1put s TYR 5 Cb -0.12 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1put s TYR 5 CO -0.17 0.43 -0.12 0.08 -1.57 0.00 0.00 175.55 174.20 1put s VAL 6 N -1.85 0.98 0.00 0.71 1.01 0.22 -0.63 120.40 120.85 1put s VAL 6 Ca 0.36 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1put s VAL 6 Cb -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1put s VAL 6 CO 0.29 0.14 0.00 -0.24 0.00 0.00 0.00 175.10 175.29 1put n SER 7 N 2.41 0.00 0.00 3.32 2.88 -0.94 0.20 113.62 121.49 1put n SER 7 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1put n SER 7 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1put n SER 7 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1put n HIS 8 N -0.15 0.00 -3.47 0.66 8.25 -1.24 -2.16 115.22 117.10 1put n HIS 8 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1put n HIS 8 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1put n HIS 8 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1put n ASP 9 N 0.00 4.41 0.00 0.41 2.03 -1.26 -4.60 116.55 117.54 1put n ASP 9 Ca 0.00 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1put n ASP 9 Cb 0.00 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1put n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1put n GLY 10 N 1.64 1.16 2.54 0.27 0.00 -1.26 -5.17 105.19 104.37 1put n GLY 10 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1put n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1put n THR 11 N 0.00 0.00 -3.73 2.61 -1.04 -1.26 -4.97 114.28 105.89 1put n THR 11 Ca 0.00 -1.56 -0.12 0.00 -2.04 0.00 0.00 64.05 60.33 1put n THR 11 Cb 0.00 0.07 -0.11 0.00 -1.82 0.00 0.00 70.33 68.47 1put n THR 11 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1put s ARG 12 N -3.39 0.35 0.44 -2.82 3.52 -1.26 -2.21 118.95 113.57 1put s ARG 12 Ca 0.11 0.58 0.08 0.00 -0.13 0.00 0.00 55.73 56.36 1put s ARG 12 Cb -0.01 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1put s ARG 12 CO 0.07 -0.11 0.46 1.03 -0.81 0.00 0.00 175.30 175.93 1put s ARG 13 N 0.81 2.55 0.25 5.12 0.52 0.20 -4.91 118.95 123.49 1put s ARG 13 Ca -0.05 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.69 1put s ARG 13 Cb -0.06 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1put s ARG 13 CO -0.06 -0.31 -0.07 -0.65 0.02 0.00 0.00 175.30 174.23 1put s GLN 14 N -4.24 1.44 0.11 3.54 -0.21 -1.26 -1.29 119.66 117.75 1put s GLN 14 Ca 0.49 -1.70 -0.05 0.00 0.02 0.00 0.00 55.36 54.12 1put s GLN 14 Cb -0.05 -1.03 0.02 0.00 1.00 0.00 0.00 33.01 32.95 1put s GLN 14 CO 0.29 0.05 0.25 1.47 -2.12 0.00 0.00 175.29 175.24 1put n LEU 15 N -0.49 0.00 -3.29 2.90 -0.00 -0.48 -4.94 117.00 110.70 1put n LEU 15 Ca -0.06 -0.71 -0.25 0.00 -0.00 0.00 0.00 56.01 54.99 1put n LEU 15 Cb 0.63 1.09 -0.07 0.00 -0.00 0.00 0.00 43.42 45.06 1put n LEU 15 CO 0.38 -0.24 -0.13 -0.67 -0.00 0.00 0.00 177.39 176.73 1put n ASP 16 N -1.09 1.76 -4.11 1.45 -0.08 -1.26 -2.21 116.55 111.00 1put n ASP 16 Ca -0.02 -3.02 -0.36 0.00 -1.51 0.00 0.00 54.79 49.88 1put n ASP 16 Cb 0.18 -0.65 0.07 0.00 2.34 0.00 0.00 41.12 43.05 1put n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1put n VAL 17 N 1.16 0.00 -3.44 5.18 0.31 -1.26 -4.97 118.33 115.31 1put n VAL 17 Ca 0.25 -0.30 -0.21 0.00 -0.01 0.00 0.00 64.34 64.07 1put n VAL 17 Cb 0.48 -0.19 -0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1put n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1put s ALA 18 N -2.11 4.33 -0.11 3.52 0.00 -1.26 -4.85 121.76 121.28 1put s ALA 18 Ca 0.44 -1.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 1put s ALA 18 Cb -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1put s ALA 18 CO 0.74 -0.39 0.92 -0.51 0.00 0.00 0.00 175.76 176.53 1put s ASP 19 N -4.29 7.14 0.00 0.00 1.01 -1.26 -3.19 116.67 116.09 1put s ASP 19 Ca 0.49 1.40 0.00 0.00 0.71 0.00 0.00 52.55 55.15 1put s ASP 19 Cb -0.05 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1put s ASP 19 CO 0.29 -0.38 0.00 0.61 0.21 0.00 0.00 175.17 175.90 1put n GLY 20 N 3.18 0.76 3.62 0.21 0.00 -1.25 -5.01 105.19 106.70 1put n GLY 20 Ca 0.06 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1put n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1put s VAL 21 N -2.00 2.27 -0.11 1.61 1.01 -1.19 -4.99 120.40 117.00 1put s VAL 21 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.95 1put s VAL 21 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1put s VAL 21 CO 0.00 -0.10 0.02 -0.55 0.00 0.00 0.00 175.10 174.47 1put s SER 22 N -3.72 5.38 0.59 3.32 0.15 -1.26 -1.40 113.70 116.76 1put s SER 22 Ca 0.35 0.14 0.32 0.00 0.70 0.00 0.00 55.95 57.47 1put s SER 22 Cb 0.04 -1.64 1.29 0.00 -1.71 0.00 0.00 66.02 64.00 1put s SER 22 CO 0.19 0.33 1.59 -0.07 1.20 0.00 0.00 173.24 176.47 1put h LEU 23 N 5.53 0.00 -0.01 3.45 3.38 -1.78 1.01 115.31 126.88 1put h LEU 23 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1put h LEU 23 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1put h LEU 23 CO 0.58 0.00 -0.24 -0.03 0.09 0.00 0.00 178.44 178.84 1put h MET 24 N 0.00 0.18 -0.27 1.13 4.05 -1.82 -2.90 114.93 115.30 1put h MET 24 Ca 0.48 -0.18 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1put h MET 24 Cb 2.43 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 33.20 1put h MET 24 CO -0.01 0.89 -0.32 1.96 0.23 0.00 0.00 176.91 179.66 1put h GLN 25 N -0.45 -0.31 -0.91 0.39 4.20 0.76 0.44 115.11 119.23 1put h GLN 25 Ca -0.03 0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1put h GLN 25 Cb 0.96 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 1put h GLN 25 CO 0.05 -0.21 0.59 0.00 -0.67 0.00 0.00 178.83 178.60 1put h ALA 26 N 0.59 2.09 -0.98 3.87 0.00 -1.47 -0.69 119.26 122.67 1put h ALA 26 Ca 0.13 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.40 1put h ALA 26 Cb 0.54 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 1put h ALA 26 CO -0.45 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 178.79 1put h ALA 27 N 1.61 1.72 -0.98 0.00 0.00 0.12 0.81 119.26 122.54 1put h ALA 27 Ca 0.48 0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.84 1put h ALA 27 Cb 1.07 0.35 -0.18 0.00 0.00 0.00 0.00 17.79 19.03 1put h ALA 27 CO -0.20 -0.69 -0.26 0.28 0.00 0.00 0.00 179.25 178.38 1put n VAL 28 N -5.26 -0.42 -0.06 0.00 0.31 -0.27 -0.51 118.33 112.12 1put n VAL 28 Ca 0.30 2.25 -0.22 0.00 -0.01 0.00 0.00 64.34 66.67 1put n VAL 28 Cb 0.99 -3.11 -0.13 0.00 -0.91 0.00 0.00 33.84 30.68 1put n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1put n SER 29 N -5.59 1.99 0.24 4.52 2.88 0.15 -3.95 113.62 113.86 1put n SER 29 Ca 0.15 0.31 0.08 0.00 -1.33 0.00 0.00 58.87 58.09 1put n SER 29 Cb 0.48 -0.90 0.45 0.00 -0.75 0.00 0.00 64.21 63.49 1put n SER 29 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1put h ASN 30 N -0.50 0.00 0.00 -3.46 -0.26 -0.62 -3.44 115.58 107.30 1put h ASN 30 Ca -0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.33 1put h ASN 30 Cb 1.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 1put h ASN 30 CO -0.09 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.89 1put n GLY 31 N -1.28 3.23 0.28 2.83 0.00 0.34 -4.83 105.19 105.76 1put n GLY 31 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1put n GLY 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1put h ILE 32 N 0.00 0.27 -1.05 -0.61 -2.65 -1.82 -1.63 117.51 110.02 1put h ILE 32 Ca 0.00 -0.51 0.30 0.00 1.03 0.00 0.00 64.86 65.69 1put h ILE 32 Cb 0.00 1.39 -0.04 0.00 -2.05 0.00 0.00 36.82 36.12 1put h ILE 32 CO 0.00 0.07 0.83 0.22 0.03 0.00 0.00 178.15 179.30 1put h TYR 33 N 0.00 0.00 0.00 0.16 5.03 -1.50 1.02 116.97 121.67 1put h TYR 33 Ca -0.00 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 1put h TYR 33 Cb 0.39 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1put h TYR 33 CO 0.00 0.00 -2.12 -3.47 -1.32 0.00 0.00 178.16 171.25 1put n ASP 34 N -3.99 0.04 0.09 -2.11 2.03 -0.63 -4.42 116.55 107.56 1put n ASP 34 Ca 0.22 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.40 1put n ASP 34 Cb 1.18 1.65 -0.07 0.00 -0.72 0.00 0.00 41.12 43.16 1put n ASP 34 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1put h ILE 35 N 0.00 0.90 -0.72 5.18 1.08 0.12 -3.46 117.51 120.61 1put h ILE 35 Ca -0.18 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1put h ILE 35 Cb 1.41 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1put h ILE 35 CO 0.01 0.01 0.00 1.33 -0.69 0.00 0.00 178.15 178.81 1put n VAL 36 N -5.15 0.00 0.00 1.67 0.24 -0.63 -5.09 118.33 109.37 1put n VAL 36 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1put n VAL 36 Cb 0.09 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1put n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1put n GLY 37 N 1.49 2.95 0.00 7.63 0.00 -1.26 -4.76 105.19 111.23 1put n GLY 37 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1put n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1put n ASP 38 N 0.00 0.00 0.04 1.61 -0.08 -1.26 -4.93 116.55 111.92 1put n ASP 38 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1put n ASP 38 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1put n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1put n GLY 40 N 1.59 -2.71 6.65 0.00 0.00 -1.26 -4.77 105.19 104.69 1put n GLY 40 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1put n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1put n GLY 41 N -4.13 1.90 3.92 -0.02 0.00 -1.26 -4.82 105.19 100.79 1put n GLY 41 Ca -0.07 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1put n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1put s SER 42 N -4.00 5.31 -0.24 1.61 0.01 -1.26 -4.70 113.70 110.42 1put s SER 42 Ca 0.00 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.38 1put s SER 42 Cb 0.00 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 1put s SER 42 CO 0.00 -0.66 1.89 0.00 0.41 0.00 0.00 173.24 174.88 1put s ALA 43 N -2.41 2.98 0.00 1.44 0.00 -1.26 -4.72 121.76 117.79 1put s ALA 43 Ca 0.50 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1put s ALA 43 Cb -0.06 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1put s ALA 43 CO 0.30 -2.43 0.55 0.43 0.00 0.00 0.00 175.76 174.60 1put n SER 44 N 10.02 0.00 0.00 0.00 7.64 -1.26 -4.92 113.62 125.10 1put n SER 44 Ca 0.24 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1put n SER 44 Cb 0.45 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1put n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1put n ALA 46 N -3.00 1.52 0.32 0.00 0.00 -1.26 -4.20 120.51 113.89 1put n ALA 46 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.18 1put n ALA 46 Cb 0.00 -0.13 0.20 0.00 0.00 0.00 0.00 19.45 19.52 1put n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1put h THR 47 N 4.57 0.00 -0.42 0.00 2.02 -1.89 -3.31 112.91 113.88 1put h THR 47 Ca 0.00 -0.84 -0.27 0.00 0.77 0.00 0.00 66.41 66.07 1put h THR 47 Cb 1.10 1.74 -0.10 0.00 -1.74 0.00 0.00 68.15 69.15 1put h THR 47 CO 0.00 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.10 1put n HIS 49 N 0.98 2.64 -2.52 0.00 -0.00 -1.25 -2.81 115.22 112.27 1put n HIS 49 Ca 0.28 -2.70 -0.38 0.00 0.46 0.00 0.00 57.72 55.38 1put n HIS 49 Cb 0.60 -2.29 -0.04 0.00 -0.12 0.00 0.00 29.99 28.14 1put n HIS 49 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1put s VAL 50 N 3.19 3.63 -0.34 3.57 -7.23 -0.90 -2.39 120.40 119.91 1put s VAL 50 Ca 0.55 1.41 -0.06 0.00 -1.81 0.00 0.00 61.98 62.06 1put s VAL 50 Cb 0.15 -3.81 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1put s VAL 50 CO -0.04 0.17 0.11 -0.31 -0.31 0.00 0.00 175.10 174.72 1put s TYR 51 N -1.44 3.27 0.50 2.82 2.02 -0.39 -1.36 117.35 122.77 1put s TYR 51 Ca 0.52 -1.44 0.05 0.00 -0.37 0.00 0.00 57.07 55.83 1put s TYR 51 Cb -0.26 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.00 1put s TYR 51 CO 0.33 -0.74 0.69 0.08 -1.57 0.00 0.00 175.55 174.34 1put s VAL 52 N 1.40 2.74 1.28 0.71 1.01 -0.42 0.14 120.40 127.26 1put s VAL 52 Ca -0.01 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1put s VAL 52 Cb -0.20 -2.88 0.32 0.00 0.00 0.00 0.00 36.38 33.62 1put s VAL 52 CO 0.03 0.00 1.02 0.21 0.00 0.00 0.00 175.10 176.36 1put s ASN 53 N -4.43 0.16 0.00 3.32 3.04 0.24 -4.73 114.94 112.53 1put s ASN 53 Ca 0.57 0.85 0.22 0.00 0.04 0.00 0.00 52.86 54.55 1put s ASN 53 Cb -0.09 -1.23 0.55 0.00 -1.54 0.00 0.00 41.25 38.93 1put s ASN 53 CO 0.36 -4.62 1.47 -1.84 -3.04 0.00 0.00 177.10 169.44 1put n GLU 54 N -5.12 2.54 -0.04 0.43 -0.00 -1.26 -3.56 120.64 113.62 1put n GLU 54 Ca 0.11 -2.36 -0.03 0.00 -0.00 0.00 0.00 57.16 54.89 1put n GLU 54 Cb 0.59 -1.53 -0.08 0.00 -0.00 0.00 0.00 31.44 30.43 1put n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1put n ALA 55 N 1.47 1.89 0.15 -1.84 0.00 -1.26 -4.59 120.51 116.34 1put n ALA 55 Ca 0.21 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 53.20 1put n ALA 55 Cb 0.59 -0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1put n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1put n PHE 56 N -2.26 0.14 -0.26 0.00 3.01 -1.26 -4.26 117.46 112.57 1put n PHE 56 Ca -0.13 0.04 -0.04 0.00 1.01 0.00 0.00 57.45 58.33 1put n PHE 56 Cb 0.71 -0.50 0.12 0.00 -0.01 0.00 0.00 39.48 39.80 1put n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1put h THR 57 N 0.00 1.25 -0.59 4.37 1.35 -1.81 -2.58 112.91 114.90 1put h THR 57 Ca 0.00 -0.72 -0.07 0.00 -0.55 0.00 0.00 66.41 65.07 1put h THR 57 Cb 0.93 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1put h THR 57 CO 0.00 0.30 0.08 0.44 -0.25 0.00 0.00 175.52 176.09 1put h ASP 58 N 1.10 0.95 -0.81 5.36 3.32 -1.82 -2.81 116.42 121.70 1put h ASP 58 Ca 0.26 -0.27 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1put h ASP 58 Cb 0.14 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.36 1put h ASP 58 CO -0.03 0.98 0.45 0.11 -1.72 0.00 0.00 179.24 179.03 1put h LYS 59 N 0.89 0.70 -6.97 3.56 6.56 -1.65 -3.41 116.57 116.25 1put h LYS 59 Ca 0.18 -0.04 -0.54 0.00 -1.06 0.00 0.00 60.65 59.19 1put h LYS 59 Cb 0.45 -0.16 0.10 0.00 -0.57 0.00 0.00 32.23 32.05 1put h LYS 59 CO 0.01 0.47 0.68 0.08 -2.06 0.00 0.00 179.45 178.63 1put s VAL 60 N -6.02 2.27 1.14 0.50 1.01 -1.06 -4.96 120.40 113.29 1put s VAL 60 Ca -0.12 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1put s VAL 60 Cb 0.20 -3.15 0.20 0.00 0.00 0.00 0.00 36.38 33.63 1put s VAL 60 CO 0.78 0.04 0.57 -2.65 0.00 0.00 0.00 175.10 173.84 1put n PRO 61 N 0.01 -2.01 -2.95 2.72 -0.02 -1.26 -4.93 135.00 126.56 1put n PRO 61 Ca 0.04 -0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 60.62 1put n PRO 61 Cb 0.42 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 1put n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1put n ALA 62 N -4.70 5.09 -1.16 3.55 0.00 -1.26 -5.05 120.51 116.98 1put n ALA 62 Ca 0.02 -4.71 -0.40 0.00 0.00 0.00 0.00 53.44 48.35 1put n ALA 62 Cb 0.57 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1put n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1put n ALA 63 N 0.27 -2.57 -0.63 0.00 0.00 -1.26 -4.85 120.51 111.46 1put n ALA 63 Ca 0.35 0.37 -0.07 0.00 0.00 0.00 0.00 53.44 54.09 1put n ALA 63 Cb 0.34 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 18.57 1put n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1put n ASN 64 N 1.64 -2.56 0.01 0.00 6.94 -1.26 -4.89 115.26 115.13 1put n ASN 64 Ca 0.15 -0.33 0.11 0.00 -0.02 0.00 0.00 54.58 54.49 1put n ASN 64 Cb 0.20 -0.54 -0.04 0.00 -2.36 0.00 0.00 39.78 37.04 1put n ASN 64 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1put n GLU 65 N -1.50 0.18 0.02 -3.83 2.13 -1.26 -4.25 120.64 112.13 1put n GLU 65 Ca 0.05 -0.03 -0.05 0.00 0.66 0.00 0.00 57.16 57.80 1put n GLU 65 Cb 0.23 -1.53 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 1put n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1put h ARG 66 N 0.00 -0.19 0.00 5.31 3.08 -2.01 0.22 114.38 120.79 1put h ARG 66 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1put h ARG 66 Cb 0.64 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1put h ARG 66 CO 0.00 -0.13 0.00 0.39 -1.07 0.00 0.00 179.97 179.16 1put n GLU 67 N -3.33 0.01 0.09 0.04 1.02 -1.26 -1.88 120.64 115.32 1put n GLU 67 Ca -0.02 0.36 -0.07 0.00 -0.02 0.00 0.00 57.16 57.40 1put n GLU 67 Cb 0.11 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1put n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1put h ILE 68 N 0.00 1.53 -0.49 -3.67 1.08 -0.81 -3.12 117.51 112.02 1put h ILE 68 Ca 0.00 -2.71 0.09 0.00 -0.39 0.00 0.00 64.86 61.85 1put h ILE 68 Cb 0.16 2.50 -0.10 0.00 -3.07 0.00 0.00 36.82 36.31 1put h ILE 68 CO 0.00 0.78 -0.36 1.23 -0.69 0.00 0.00 178.15 179.12 1put h GLY 69 N 2.06 -0.27 2.00 5.37 0.00 -0.42 1.21 103.07 113.01 1put h GLY 69 Ca -0.03 0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 1put h GLY 69 CO 0.13 -0.20 -0.26 -0.33 0.00 0.00 0.00 176.54 175.88 1put h MET 70 N -0.23 0.00 -0.00 4.80 2.86 -1.75 -1.43 114.93 119.17 1put h MET 70 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1put h MET 70 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1put h MET 70 CO -0.61 0.26 -0.06 1.28 1.06 0.00 0.00 176.91 178.83 1put n LEU 71 N -3.69 0.51 0.00 1.22 4.77 0.22 -3.22 117.00 116.81 1put n LEU 71 Ca -0.01 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1put n LEU 71 Cb 0.37 -0.12 0.21 0.00 -2.33 0.00 0.00 43.42 41.55 1put n LEU 71 CO 0.34 0.09 0.39 1.21 -1.33 0.00 0.00 177.39 178.10 1put n GLU 72 N -0.80 0.01 -1.35 3.23 0.00 0.35 -4.27 120.64 117.82 1put n GLU 72 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 57.10 1put n GLU 72 Cb 0.25 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.09 1put n GLU 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1put s VAL 74 N -0.76 2.86 0.30 0.00 -7.23 -1.26 -4.52 120.40 109.79 1put s VAL 74 Ca 0.62 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1put s VAL 74 Cb 0.33 -3.08 0.09 0.00 0.56 0.00 0.00 36.38 34.29 1put s VAL 74 CO -0.12 -0.06 1.76 0.00 -0.31 0.00 0.00 175.10 176.37 1put h THR 75 N 0.08 1.25 -1.25 5.32 1.03 -1.87 -3.45 112.91 114.02 1put h THR 75 Ca -0.43 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 64.84 1put h THR 75 Cb 1.29 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1put h THR 75 CO 0.53 0.36 0.00 0.00 -0.01 0.00 0.00 175.52 176.41 1put n ALA 76 N -2.48 0.00 -2.59 0.00 0.00 -1.26 -4.97 120.51 109.21 1put n ALA 76 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1put n ALA 76 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 1put n ALA 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1put s GLU 77 N 3.21 2.17 0.34 0.00 4.04 -1.26 -5.01 118.70 122.19 1put s GLU 77 Ca 0.00 -1.01 0.08 0.00 0.04 0.00 0.00 54.97 54.08 1put s GLU 77 Cb 0.00 -2.33 -0.03 0.00 0.02 0.00 0.00 34.13 31.79 1put s GLU 77 CO 0.00 0.51 0.24 -1.17 -1.84 0.00 0.00 175.26 173.00 1put s LEU 78 N -2.21 3.46 0.31 1.83 2.96 -1.26 -4.99 118.68 118.78 1put s LEU 78 Ca 0.22 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 1put s LEU 78 Cb -0.11 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.59 1put s LEU 78 CO 0.14 -0.35 0.71 -1.59 -1.32 0.00 0.00 176.35 173.94 1put s LYS 79 N -3.95 1.91 0.59 1.98 -2.85 -1.26 -4.94 119.74 111.21 1put s LYS 79 Ca 0.40 -1.17 0.28 0.00 -1.00 0.00 0.00 55.97 54.49 1put s LYS 79 Cb -0.04 0.60 1.55 0.00 -2.06 0.00 0.00 37.83 37.87 1put s LYS 79 CO 0.25 -0.87 1.85 -1.35 0.10 0.00 0.00 175.35 175.33 1put h PRO 80 N 2.02 0.00 0.13 1.78 0.10 -2.00 0.27 132.00 134.30 1put h PRO 80 Ca -0.24 0.00 -0.30 0.00 0.10 0.00 0.00 66.00 65.56 1put h PRO 80 Cb 1.25 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.35 1put h PRO 80 CO 0.30 0.00 -1.47 -0.91 0.10 0.00 0.00 178.00 176.01 1put h ASN 81 N 0.00 0.43 -2.72 -2.05 -0.26 -1.89 -3.44 115.58 105.65 1put h ASN 81 Ca 0.00 -0.55 -0.48 0.00 -0.56 0.00 0.00 56.30 54.71 1put h ASN 81 Cb 0.53 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1put h ASN 81 CO 0.00 1.45 -0.24 -0.94 -1.06 0.00 0.00 177.43 176.64 1put s SER 82 N -7.06 6.31 0.00 5.81 1.04 0.96 -1.31 113.70 119.46 1put s SER 82 Ca -0.08 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1put s SER 82 Cb 0.07 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1put s SER 82 CO 0.86 -0.23 0.00 0.54 0.98 0.00 0.00 173.24 175.40 1put n ARG 83 N -1.57 0.00 -3.82 4.02 5.12 -0.46 -4.33 116.66 115.61 1put n ARG 83 Ca -0.05 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.51 1put n ARG 83 Cb 0.56 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.75 1put n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1put s LEU 84 N 0.00 3.67 0.05 0.55 2.01 -1.25 -2.13 118.68 121.58 1put s LEU 84 Ca 0.00 -0.07 0.09 0.00 0.01 0.00 0.00 54.13 54.16 1put s LEU 84 Cb 0.00 -1.97 0.39 0.00 0.01 0.00 0.00 46.19 44.62 1put s LEU 84 CO 0.00 0.04 1.27 0.00 1.01 0.00 0.00 176.35 178.67 1put n GLN 87 N 1.17 0.00 -3.73 0.00 7.27 -0.31 -4.45 117.38 117.33 1put n GLN 87 Ca 0.26 -0.01 -0.30 0.00 0.07 0.00 0.00 57.00 57.02 1put n GLN 87 Cb 0.90 -0.42 -0.04 0.00 2.41 0.00 0.00 30.24 33.09 1put n GLN 87 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1put s ILE 88 N 0.00 5.22 0.21 1.69 1.01 -1.05 -4.97 121.20 123.32 1put s ILE 88 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.54 1put s ILE 88 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1put s ILE 88 CO 0.00 -0.02 -0.17 -0.63 0.00 0.00 0.00 174.94 174.12 1put s ILE 89 N -1.71 1.98 -0.51 2.92 -1.09 -1.26 -3.17 121.20 118.36 1put s ILE 89 Ca 0.39 -2.19 0.04 0.00 -2.23 0.00 0.00 60.65 56.66 1put s ILE 89 Cb -0.12 -2.07 0.13 0.00 -1.58 0.00 0.00 42.46 38.82 1put s ILE 89 CO 0.27 -0.46 0.25 -0.32 -1.23 0.00 0.00 174.94 173.45 1put s MET 90 N -3.37 1.90 0.72 2.79 1.75 -0.49 -4.80 119.30 117.79 1put s MET 90 Ca 0.23 -2.54 -0.10 0.00 -1.25 0.00 0.00 55.69 52.03 1put s MET 90 Cb -0.03 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.46 1put s MET 90 CO 0.09 -1.11 1.07 0.95 -0.65 0.00 0.00 175.02 175.37 1put s THR 91 N -0.20 2.88 -0.45 10.11 -4.23 -1.26 -3.87 115.64 118.62 1put s THR 91 Ca 0.17 0.13 0.15 0.00 -1.18 0.00 0.00 61.69 60.96 1put s THR 91 Cb -0.26 -3.25 0.15 0.00 1.34 0.00 0.00 72.50 70.48 1put s THR 91 CO -0.00 -0.31 1.47 -2.65 -0.54 0.00 0.00 174.62 172.58 1put n PRO 92 N -3.01 0.10 -0.03 3.99 -0.02 -1.26 -1.68 135.00 133.08 1put n PRO 92 Ca 0.07 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 1put n PRO 92 Cb 0.59 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 1put n PRO 92 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1put h GLU 93 N 0.00 0.82 -6.48 -0.52 4.39 -2.02 -3.44 114.58 107.34 1put h GLU 93 Ca 0.00 -0.64 -0.53 0.00 0.34 0.00 0.00 59.36 58.53 1put h GLU 93 Cb 0.02 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1put h GLU 93 CO 0.00 1.25 0.28 -0.51 -1.16 0.00 0.00 179.01 178.87 1put s LEU 94 N -8.47 4.50 -0.06 1.33 1.02 -0.68 -5.04 118.68 111.27 1put s LEU 94 Ca -0.10 1.67 -0.00 0.00 0.02 0.00 0.00 54.13 55.71 1put s LEU 94 Cb 0.09 -3.44 0.03 0.00 0.02 0.00 0.00 46.19 42.88 1put s LEU 94 CO 0.90 -0.01 -0.01 1.51 0.02 0.00 0.00 176.35 178.77 1put s ASP 95 N -0.16 1.21 -0.71 2.29 -4.77 -1.26 -4.13 116.67 109.14 1put s ASP 95 Ca 0.43 -0.08 -0.00 0.00 -3.30 0.00 0.00 52.55 49.59 1put s ASP 95 Cb -0.22 -0.40 0.00 0.00 -1.09 0.00 0.00 42.92 41.21 1put s ASP 95 CO 0.27 -0.14 0.60 0.61 0.70 0.00 0.00 175.17 177.21 1put n GLY 96 N 4.68 -0.02 3.80 2.12 0.00 -0.82 -4.73 105.19 110.23 1put n GLY 96 Ca -0.15 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1put n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1put s ILE 97 N -3.21 3.93 -0.31 -0.61 -5.25 -1.12 -4.87 121.20 109.76 1put s ILE 97 Ca 0.03 1.13 0.03 0.00 -0.99 0.00 0.00 60.65 60.85 1put s ILE 97 Cb -0.01 -3.48 0.09 0.00 2.95 0.00 0.00 42.46 42.01 1put s ILE 97 CO 0.43 -0.33 0.02 -0.69 -1.79 0.00 0.00 174.94 172.58 1put s VAL 98 N -2.13 2.04 0.21 8.37 1.01 -1.26 -1.32 120.40 127.31 1put s VAL 98 Ca 0.65 -2.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1put s VAL 98 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1put s VAL 98 CO 0.23 -0.47 0.41 0.68 0.00 0.00 0.00 175.10 175.95 1put s VAL 99 N 1.06 5.18 0.34 2.92 -7.23 -0.02 -0.59 120.40 122.05 1put s VAL 99 Ca 0.06 -0.28 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 1put s VAL 99 Cb -0.19 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 1put s VAL 99 CO -0.09 -0.18 0.10 -1.81 -0.31 0.00 0.00 175.10 172.80 1put s ASP 100 N -3.11 2.20 -0.01 4.85 1.11 0.37 0.72 116.67 122.80 1put s ASP 100 Ca 0.39 -1.48 0.01 0.00 0.18 0.00 0.00 52.55 51.65 1put s ASP 100 Cb -0.11 0.18 -0.04 0.00 1.07 0.00 0.00 42.92 44.03 1put s ASP 100 CO 0.29 -0.75 0.01 -0.69 1.18 0.00 0.00 175.17 175.20 1put s VAL 101 N -3.39 4.23 1.14 -1.27 1.01 0.52 -1.26 120.40 121.40 1put s VAL 101 Ca 0.33 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1put s VAL 101 Cb 0.06 -2.88 0.28 0.00 0.00 0.00 0.00 36.38 33.84 1put s VAL 101 CO 0.15 0.40 0.64 -2.65 0.00 0.00 0.00 175.10 173.63 1put n PRO 102 N 1.45 -3.61 -0.01 2.72 -0.02 -1.01 -3.66 135.00 130.86 1put n PRO 102 Ca -0.15 -1.07 -0.12 0.00 -2.02 0.00 0.00 63.50 60.14 1put n PRO 102 Cb 0.53 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 1put n PRO 102 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1put n ASP 103 N -4.35 1.24 -0.16 2.55 -0.08 -1.26 -4.19 116.55 110.30 1put n ASP 103 Ca 0.10 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1put n ASP 103 Cb 0.44 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1put n ASP 103 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1put n ARG 104 N -3.17 1.28 -0.90 -0.67 5.12 -1.26 -5.01 116.66 112.05 1put n ARG 104 Ca -0.21 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.66 1put n ARG 104 Cb 1.05 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.30 1put n ARG 104 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1put n GLN 105 N 0.00 0.00 -0.43 5.56 10.64 -1.26 -4.80 117.38 127.09 1put n GLN 105 Ca 0.00 -0.80 0.00 0.00 -1.83 0.00 0.00 57.00 54.37 1put n GLN 105 Cb 0.00 0.37 0.00 0.00 -0.86 0.00 0.00 30.24 29.75 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14