#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 0.87 -0.28 4.33 2.20 -1.26 -4.73 119.74 120.88 1put s LYS 2 Ca 0.00 -1.37 -0.19 0.00 -0.36 0.00 0.00 55.97 54.05 1put s LYS 2 Cb 0.00 -0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.29 1put s LYS 2 CO 0.00 -0.08 0.72 0.08 -0.36 0.00 0.00 175.35 175.71 1put s VAL 3 N -3.72 0.00 0.11 4.02 1.01 -0.45 -1.23 120.40 120.15 1put s VAL 3 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1put s VAL 3 Cb 0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1put s VAL 3 CO -0.03 0.00 -0.03 0.54 0.00 0.00 0.00 175.10 175.58 1put s VAL 4 N 1.20 0.53 0.16 2.92 0.11 -0.98 0.58 120.40 124.92 1put s VAL 4 Ca -0.07 -1.91 0.06 0.00 -2.93 0.00 0.00 61.98 57.13 1put s VAL 4 Cb -0.05 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1put s VAL 4 CO -0.13 -0.78 -0.13 -0.31 -3.33 0.00 0.00 175.10 170.42 1put s TYR 5 N -3.74 1.47 0.02 1.54 1.51 -0.65 -1.56 117.35 115.95 1put s TYR 5 Ca 0.14 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 1put s TYR 5 Cb 0.06 -0.73 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1put s TYR 5 CO -0.04 0.20 -0.18 0.08 -1.11 0.00 0.00 175.55 174.51 1put s VAL 6 N -2.76 1.40 0.00 0.71 1.01 0.19 -0.80 120.40 120.14 1put s VAL 6 Ca 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1put s VAL 6 Cb -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1put s VAL 6 CO 0.04 0.21 0.00 -1.54 0.00 0.00 0.00 175.10 173.81 1put n SER 7 N 2.15 0.00 0.00 3.32 3.41 -0.57 0.22 113.62 122.15 1put n SER 7 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1put n SER 7 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1put n SER 7 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1put n HIS 8 N -0.17 0.00 -3.56 7.33 8.25 -1.25 -1.99 115.22 123.82 1put n HIS 8 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 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 -0.40 0.64 0.00 0.00 176.34 176.58 1put n ASP 9 N 0.00 4.32 0.00 0.41 5.68 -1.26 -4.59 116.55 121.11 1put n ASP 9 Ca 0.00 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.08 1put n ASP 9 Cb 0.00 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 38.97 1put n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1put n GLY 10 N 1.98 0.65 0.21 6.12 0.00 -1.26 -5.18 105.19 107.71 1put n GLY 10 Ca 0.23 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 1put n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1put n THR 11 N 0.00 0.00 -3.76 2.61 5.66 -1.26 -4.96 114.28 112.58 1put n THR 11 Ca 0.00 -0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 1put n THR 11 Cb 0.00 0.03 -0.11 0.00 -1.55 0.00 0.00 70.33 68.70 1put n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1put s ARG 12 N -2.10 0.39 -0.27 1.09 1.70 -1.26 -1.51 118.95 116.98 1put s ARG 12 Ca 0.00 0.47 -0.09 0.00 -0.47 0.00 0.00 55.73 55.65 1put s ARG 12 Cb 0.00 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1put s ARG 12 CO 0.00 -0.05 0.11 1.03 -1.08 0.00 0.00 175.30 175.31 1put s ARG 13 N 0.22 3.68 0.84 3.89 0.52 0.02 -4.87 118.95 123.26 1put s ARG 13 Ca -0.00 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.60 1put s ARG 13 Cb -0.03 -3.45 0.10 0.00 0.52 0.00 0.00 34.95 32.10 1put s ARG 13 CO -0.00 -0.22 1.20 1.14 0.02 0.00 0.00 175.30 177.44 1put s GLN 14 N 1.65 1.69 0.05 3.54 -2.07 -1.26 -1.63 119.66 121.63 1put s GLN 14 Ca 0.06 0.02 -0.21 0.00 -1.82 0.00 0.00 55.36 53.42 1put s GLN 14 Cb -0.16 -1.93 0.07 0.00 -1.09 0.00 0.00 33.01 29.91 1put s GLN 14 CO 0.06 -1.77 0.95 1.47 -1.32 0.00 0.00 175.29 174.68 1put n LEU 15 N -3.42 0.00 -3.60 2.60 -0.00 0.20 -4.88 117.00 107.89 1put n LEU 15 Ca 0.09 -0.68 -0.29 0.00 -0.00 0.00 0.00 56.01 55.13 1put n LEU 15 Cb 0.61 1.82 -0.13 0.00 -0.00 0.00 0.00 43.42 45.71 1put n LEU 15 CO 0.55 -0.23 -0.30 -1.81 -0.00 0.00 0.00 177.39 175.60 1put s ASP 16 N -3.16 3.46 0.53 1.45 1.01 -1.26 -1.34 116.67 117.36 1put s ASP 16 Ca 0.22 -2.10 -0.20 0.00 0.71 0.00 0.00 52.55 51.18 1put s ASP 16 Cb -0.01 -0.68 -0.06 0.00 1.01 0.00 0.00 42.92 43.18 1put s ASP 16 CO 0.02 -0.33 1.15 -0.69 0.21 0.00 0.00 175.17 175.52 1put s VAL 17 N 1.09 3.08 0.81 -1.27 1.01 -1.26 -4.97 120.40 118.89 1put s VAL 17 Ca 0.15 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1put s VAL 17 Cb -0.21 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 32.98 1put s VAL 17 CO -0.09 -0.12 1.15 0.00 0.00 0.00 0.00 175.10 176.04 1put s ALA 18 N -1.70 2.82 -0.12 5.51 0.00 -1.26 -4.84 121.76 122.17 1put s ALA 18 Ca 0.71 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1put s ALA 18 Cb -0.26 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1put s ALA 18 CO 0.29 -1.76 1.01 -0.51 0.00 0.00 0.00 175.76 174.80 1put s ASP 19 N -4.67 7.22 0.00 0.00 1.01 -1.25 -3.07 116.67 115.90 1put s ASP 19 Ca 0.66 1.51 0.00 0.00 0.71 0.00 0.00 52.55 55.43 1put s ASP 19 Cb -0.08 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1put s ASP 19 CO 0.48 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1put n GLY 20 N 3.13 0.82 3.72 0.21 0.00 -1.25 -5.02 105.19 106.80 1put n GLY 20 Ca 0.09 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 2.21 -0.07 1.61 1.01 -1.18 -4.99 120.40 117.00 1put s VAL 21 Ca 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1put s VAL 21 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1put s VAL 21 CO 0.00 0.00 -0.09 -0.44 0.00 0.00 0.00 175.10 174.57 1put s SER 22 N -3.87 4.42 0.62 3.32 0.01 -1.26 -1.50 113.70 115.44 1put s SER 22 Ca 0.39 -0.10 0.25 0.00 1.31 0.00 0.00 55.95 57.80 1put s SER 22 Cb 0.05 -1.13 1.21 0.00 0.21 0.00 0.00 66.02 66.36 1put s SER 22 CO 0.21 0.33 1.66 -0.07 0.41 0.00 0.00 173.24 175.79 1put h LEU 23 N 5.45 0.00 -0.06 2.44 3.38 -1.69 0.75 115.31 125.59 1put h LEU 23 Ca -0.46 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1put h LEU 23 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1put h LEU 23 CO 0.52 0.00 -0.23 -0.03 0.09 0.00 0.00 178.44 178.79 1put h MET 24 N 0.00 0.26 0.40 1.13 4.05 -1.70 -1.31 114.93 117.75 1put h MET 24 Ca 0.20 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1put h MET 24 Cb 1.55 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 32.36 1put h MET 24 CO -0.00 0.84 -0.50 1.96 0.23 0.00 0.00 176.91 179.44 1put h GLN 25 N -0.27 -0.90 -0.57 0.39 4.20 0.20 -1.81 115.11 116.35 1put h GLN 25 Ca -0.01 0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.85 1put h GLN 25 Cb 0.88 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1put h GLN 25 CO 0.05 -0.60 0.17 0.00 -0.67 0.00 0.00 178.83 177.78 1put h ALA 26 N -0.74 0.70 -1.12 3.87 0.00 -1.52 0.47 119.26 120.92 1put h ALA 26 Ca -0.04 0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.31 1put h ALA 26 Cb 0.84 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1put h ALA 26 CO -0.12 -0.26 0.70 0.00 0.00 0.00 0.00 179.25 179.57 1put h ALA 27 N 1.43 2.31 -0.82 0.00 0.00 -0.42 0.71 119.26 122.47 1put h ALA 27 Ca 0.29 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.48 1put h ALA 27 Cb 0.39 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 1put h ALA 27 CO -0.34 -0.86 -0.21 0.28 0.00 0.00 0.00 179.25 178.13 1put h VAL 28 N 0.27 0.18 0.00 0.00 2.07 -0.27 0.14 116.25 118.65 1put h VAL 28 Ca 0.71 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 68.09 1put h VAL 28 Cb 1.91 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1put h VAL 28 CO -0.43 0.00 -0.83 -1.28 0.02 0.00 0.00 177.57 175.05 1put h SER 29 N -0.00 0.00 -1.15 0.57 0.87 -1.06 -3.33 113.55 109.45 1put h SER 29 Ca 0.39 -0.56 0.33 0.00 -1.23 0.00 0.00 61.79 60.72 1put h SER 29 Cb 0.60 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1put h SER 29 CO -0.84 1.26 1.24 0.78 -0.53 0.00 0.00 176.83 178.73 1put h ASN 30 N -1.00 0.00 0.00 6.23 -0.26 -0.92 -3.43 115.58 116.20 1put h ASN 30 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1put h ASN 30 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1put h ASN 30 CO -0.13 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.85 1put n GLY 31 N -1.75 0.67 0.09 2.83 0.00 -0.06 -4.89 105.19 102.09 1put n GLY 31 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 1put n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1put h ILE 32 N 0.00 1.42 -1.11 -0.61 2.04 -1.77 -2.99 117.51 114.49 1put h ILE 32 Ca 0.00 -2.97 0.32 0.00 1.00 0.00 0.00 64.86 63.20 1put h ILE 32 Cb 0.00 2.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 1put h ILE 32 CO 0.00 0.80 0.78 0.22 0.00 0.00 0.00 178.15 179.95 1put h TYR 33 N 0.00 0.15 0.00 1.37 5.03 -1.56 0.72 116.97 122.68 1put h TYR 33 Ca -0.01 0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.14 1put h TYR 33 Cb 1.61 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.82 1put h TYR 33 CO 0.00 0.01 -1.63 -3.47 -1.32 0.00 0.00 178.16 171.75 1put n ASP 34 N -4.29 0.60 0.14 -2.11 -0.08 -1.16 -4.01 116.55 105.65 1put n ASP 34 Ca 0.25 0.26 0.06 0.00 -1.51 0.00 0.00 54.79 53.85 1put n ASP 34 Cb 1.13 0.56 0.54 0.00 2.34 0.00 0.00 41.12 45.68 1put n ASP 34 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1put h ILE 35 N 0.00 1.05 -1.92 5.18 -0.00 0.57 -3.46 117.51 118.93 1put h ILE 35 Ca -0.20 -0.10 0.01 0.00 -0.00 0.00 0.00 64.86 64.57 1put h ILE 35 Cb 1.58 0.79 -0.00 0.00 -0.00 0.00 0.00 36.82 39.19 1put h ILE 35 CO 0.03 0.05 0.04 1.33 -0.00 0.00 0.00 178.15 179.61 1put n VAL 36 N -4.50 0.00 0.00 2.19 0.24 -0.83 -5.10 118.33 110.32 1put n VAL 36 Ca -0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1put n VAL 36 Cb 0.08 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.07 3.14 0.00 7.63 0.00 -1.26 -4.64 105.19 109.99 1put n GLY 37 Ca -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.00 1.61 2.03 -1.26 -4.75 116.55 114.18 1put n ASP 38 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1put n ASP 38 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 1put n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1put n GLY 40 N 1.49 -0.43 0.00 0.00 0.00 -1.26 -4.90 105.19 100.09 1put n GLY 40 Ca 0.07 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.11 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 -0.62 -0.57 3.43 -0.02 0.00 -1.26 -5.02 105.19 101.12 1put n GLY 41 Ca -0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1put n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1put s SER 42 N -4.00 0.31 -0.53 1.61 1.04 -1.26 -3.40 113.70 107.48 1put s SER 42 Ca 0.00 1.35 -0.26 0.00 0.48 0.00 0.00 55.95 57.52 1put s SER 42 Cb 0.00 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1put s SER 42 CO 0.00 -4.59 2.31 0.00 0.98 0.00 0.00 173.24 171.94 1put s ALA 43 N -2.39 1.69 0.00 5.32 0.00 -1.26 -4.58 121.76 120.54 1put s ALA 43 Ca 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1put s ALA 43 Cb -0.23 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1put s ALA 43 CO 0.64 -4.43 0.37 0.43 0.00 0.00 0.00 175.76 172.77 1put n SER 44 N 15.47 0.25 0.00 0.00 7.64 -1.26 -4.75 113.62 130.97 1put n SER 44 Ca 0.34 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1put n SER 44 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 1.92 -0.01 0.00 0.00 -1.19 -2.02 120.51 116.21 1put n ALA 46 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 1put n ALA 46 Cb 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 1put n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1put n THR 47 N 0.00 1.48 -0.89 0.00 -1.04 -1.26 -4.08 114.28 108.49 1put n THR 47 Ca 0.00 -0.77 -0.14 0.00 -2.04 0.00 0.00 64.05 61.11 1put n THR 47 Cb 0.54 -0.94 -0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1put n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put n HIS 49 N 0.90 0.84 -3.38 0.00 -0.00 -1.26 -4.27 115.22 108.04 1put n HIS 49 Ca 0.26 -0.15 -0.34 0.00 0.46 0.00 0.00 57.72 57.95 1put n HIS 49 Cb 0.59 -2.48 -0.06 0.00 -0.12 0.00 0.00 29.99 27.92 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 16.40 4.89 -0.28 3.57 -7.23 -1.22 -1.07 120.40 135.46 1put s VAL 50 Ca 0.77 0.69 -0.04 0.00 -1.81 0.00 0.00 61.98 61.59 1put s VAL 50 Cb -0.05 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.23 1put s VAL 50 CO 0.18 0.13 0.01 -0.31 -0.31 0.00 0.00 175.10 174.80 1put s TYR 51 N -1.59 3.16 0.44 2.82 1.51 -0.55 -2.00 117.35 121.14 1put s TYR 51 Ca 0.41 -1.48 0.08 0.00 -1.01 0.00 0.00 57.07 55.08 1put s TYR 51 Cb -0.14 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 1put s TYR 51 CO 0.20 -0.71 0.56 0.08 -1.11 0.00 0.00 175.55 174.56 1put s VAL 52 N 1.36 2.82 0.62 0.71 1.01 -0.98 0.13 120.40 126.08 1put s VAL 52 Ca -0.01 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1put s VAL 52 Cb -0.18 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1put s VAL 52 CO -0.01 0.00 1.07 0.21 0.00 0.00 0.00 175.10 176.37 1put s ASN 53 N -4.34 5.57 -0.00 3.32 3.84 0.46 -4.82 114.94 118.97 1put s ASN 53 Ca 0.54 1.84 0.02 0.00 0.21 0.00 0.00 52.86 55.46 1put s ASN 53 Cb -0.08 -2.53 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1put s ASN 53 CO 0.32 -1.31 0.97 -1.84 -2.79 0.00 0.00 177.10 172.45 1put n GLU 54 N -2.25 1.15 -0.04 0.43 -0.00 -1.26 -2.76 120.64 115.91 1put n GLU 54 Ca 0.09 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.16 57.02 1put n GLU 54 Cb 0.53 -1.13 -0.08 0.00 -0.00 0.00 0.00 31.44 30.77 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 -0.28 1.83 0.06 -1.84 0.00 -1.26 -4.61 120.51 114.41 1put n ALA 55 Ca 0.02 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1put n ALA 55 Cb 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.30 0.00 0.31 0.00 3.01 -1.22 -4.16 117.46 113.09 1put n PHE 56 Ca -0.14 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.50 1put n PHE 56 Cb 0.75 -0.46 0.99 0.00 -0.01 0.00 0.00 39.48 40.75 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 0.29 0.00 4.37 1.35 -1.77 -0.67 112.91 116.48 1put h THR 57 Ca 0.00 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.59 1put h THR 57 Cb 0.96 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1put h THR 57 CO 0.00 0.02 -1.04 -0.78 -0.25 0.00 0.00 175.52 173.47 1put h ASP 58 N 0.00 0.00 0.89 5.36 1.82 -1.84 -3.24 116.42 119.41 1put h ASP 58 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1put h ASP 58 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1put h ASP 58 CO 0.00 0.57 0.00 0.29 -1.61 0.00 0.00 179.24 178.49 1put n LYS 59 N -3.04 0.03 -2.77 0.28 4.76 -0.28 -4.78 118.16 112.35 1put n LYS 59 Ca -0.05 0.10 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 1put n LYS 59 Cb 0.80 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 32.49 1put n LYS 59 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1put s VAL 60 N -3.02 2.75 1.14 -0.18 -7.23 -1.09 -4.93 120.40 107.85 1put s VAL 60 Ca 0.11 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 1put s VAL 60 Cb 0.15 -2.97 0.26 0.00 0.56 0.00 0.00 36.38 34.39 1put s VAL 60 CO 0.46 0.00 0.97 -2.65 -0.31 0.00 0.00 175.10 173.57 1put n PRO 61 N -2.19 -2.18 -2.77 4.82 -0.02 -1.26 -4.94 135.00 126.46 1put n PRO 61 Ca 0.08 -0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 60.62 1put n PRO 61 Cb 0.60 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.87 5.39 -1.71 3.55 0.00 -1.26 -4.99 120.51 116.62 1put n ALA 62 Ca 0.04 -4.65 -0.65 0.00 0.00 0.00 0.00 53.44 48.19 1put n ALA 62 Cb 0.54 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.17 -1.45 -1.00 0.00 0.00 -1.26 -4.90 120.51 111.73 1put n ALA 63 Ca 0.39 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1put n ALA 63 Cb 0.33 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1put n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1put n ASN 64 N 3.86 0.00 0.00 0.00 3.02 -1.26 -4.82 115.26 116.06 1put n ASN 64 Ca 0.28 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1put n ASN 64 Cb -0.00 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 39.63 1put n ASN 64 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1put n GLU 65 N 0.00 0.00 0.20 3.52 4.07 -1.26 -3.97 120.64 123.20 1put n GLU 65 Ca 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.96 1put n GLU 65 Cb 0.00 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 29.80 1put n GLU 65 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1put h ARG 66 N 0.00 -0.52 0.00 5.31 2.47 -2.00 0.28 114.38 119.92 1put h ARG 66 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1put h ARG 66 Cb 0.50 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1put h ARG 66 CO 0.00 -0.35 0.00 0.39 0.56 0.00 0.00 179.97 180.57 1put n GLU 67 N -5.36 0.07 0.01 0.04 4.71 -1.26 -2.11 120.64 116.74 1put n GLU 67 Ca -0.09 0.25 -0.14 0.00 -0.01 0.00 0.00 57.16 57.17 1put n GLU 67 Cb 0.26 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.05 1put n GLU 67 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1put h ILE 68 N 0.00 0.87 -0.67 -3.67 5.03 -1.17 -3.27 117.51 114.64 1put h ILE 68 Ca 0.00 -2.64 0.08 0.00 -0.12 0.00 0.00 64.86 62.17 1put h ILE 68 Cb 0.16 2.53 -0.10 0.00 -3.03 0.00 0.00 36.82 36.37 1put h ILE 68 CO 0.00 0.69 -0.54 1.23 -0.68 0.00 0.00 178.15 178.86 1put h GLY 69 N 2.42 -0.79 2.00 5.37 0.00 -0.61 2.24 103.07 113.70 1put h GLY 69 Ca -0.31 0.71 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1put h GLY 69 CO 0.10 -0.07 -0.26 -0.33 0.00 0.00 0.00 176.54 175.98 1put h MET 70 N -0.21 0.00 -0.30 4.80 2.86 -1.74 -1.61 114.93 118.73 1put h MET 70 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1put h MET 70 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1put h MET 70 CO -0.75 0.26 0.00 -0.11 1.06 0.00 0.00 176.91 177.37 1put n LEU 71 N -3.74 2.02 -0.04 1.22 7.94 0.25 -3.20 117.00 121.45 1put n LEU 71 Ca -0.01 -0.93 0.02 0.00 -1.11 0.00 0.00 56.01 53.98 1put n LEU 71 Cb 0.37 -0.20 -0.16 0.00 0.53 0.00 0.00 43.42 43.96 1put n LEU 71 CO 0.35 0.47 -0.87 1.21 -1.11 0.00 0.00 177.39 177.43 1put n GLU 72 N 0.57 0.67 -0.66 1.96 0.00 0.69 -4.22 120.64 119.65 1put n GLU 72 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 1put n GLU 72 Cb 0.35 -1.54 0.08 0.00 0.00 0.00 0.00 31.44 30.33 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 -1.76 1.99 -0.39 0.00 -7.23 -1.26 -4.92 120.40 106.83 1put s VAL 74 Ca 0.29 0.00 0.27 0.00 -1.81 0.00 0.00 61.98 60.72 1put s VAL 74 Cb 0.24 -2.80 0.32 0.00 0.56 0.00 0.00 36.38 34.71 1put s VAL 74 CO 0.04 0.00 1.76 0.74 -0.31 0.00 0.00 175.10 177.34 1put h THR 75 N -1.47 0.00 -3.13 5.32 2.02 -1.88 -3.45 112.91 110.33 1put h THR 75 Ca -0.49 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1put h THR 75 Cb 1.33 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1put h THR 75 CO 0.60 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.49 1put n ALA 76 N -1.96 0.00 -2.62 6.16 0.00 -1.26 -4.96 120.51 115.86 1put n ALA 76 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1put n ALA 76 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 1.69 2.28 0.47 0.00 1.03 -1.26 -5.00 118.70 117.92 1put s GLU 77 Ca 0.00 -1.03 0.08 0.00 0.03 0.00 0.00 54.97 54.05 1put s GLU 77 Cb 0.00 -2.35 0.02 0.00 -0.80 0.00 0.00 34.13 31.00 1put s GLU 77 CO 0.00 0.49 0.52 -1.17 -1.33 0.00 0.00 175.26 173.77 1put s LEU 78 N -2.49 3.29 0.27 1.83 0.20 -1.26 -5.05 118.68 115.48 1put s LEU 78 Ca 0.24 -0.76 -0.19 0.00 0.69 0.00 0.00 54.13 54.11 1put s LEU 78 Cb -0.11 -1.98 0.02 0.00 -0.43 0.00 0.00 46.19 43.69 1put s LEU 78 CO 0.16 -0.89 0.67 -1.59 -0.29 0.00 0.00 176.35 174.41 1put s LYS 79 N -4.32 1.75 0.17 1.98 -2.85 -1.26 -4.98 119.74 110.22 1put s LYS 79 Ca 0.50 -1.05 0.11 0.00 -1.00 0.00 0.00 55.97 54.53 1put s LYS 79 Cb -0.05 0.58 0.58 0.00 -2.06 0.00 0.00 37.83 36.88 1put s LYS 79 CO 0.30 -0.79 1.31 -0.35 0.10 0.00 0.00 175.35 175.93 1put n PRO 80 N -0.44 0.07 0.00 1.78 -0.04 -1.26 -1.15 135.00 133.96 1put n PRO 80 Ca -0.04 0.56 0.07 0.00 -0.04 0.00 0.00 63.50 64.05 1put n PRO 80 Cb 0.60 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 1put n PRO 80 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1put n ASN 81 N -1.87 0.24 -4.81 3.54 4.05 -1.26 -4.95 115.26 110.20 1put n ASN 81 Ca -0.01 0.10 -0.33 0.00 0.45 0.00 0.00 54.58 54.79 1put n ASN 81 Cb 0.05 1.39 -0.01 0.00 1.23 0.00 0.00 39.78 42.44 1put n ASN 81 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1put s SER 82 N -4.94 6.08 0.00 1.20 0.01 -0.30 -2.31 113.70 113.44 1put s SER 82 Ca -0.06 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.00 1put s SER 82 Cb 0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1put s SER 82 CO 0.87 -0.96 0.00 0.54 0.41 0.00 0.00 173.24 174.10 1put n ARG 83 N -1.65 0.00 -3.58 12.44 5.12 -0.85 -4.82 116.66 123.32 1put n ARG 83 Ca 0.09 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.64 1put n ARG 83 Cb 0.53 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.77 1put n ARG 83 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1put n LEU 84 N 0.00 4.39 0.14 0.55 7.99 -1.26 -3.42 117.00 125.39 1put n LEU 84 Ca 0.00 -5.14 0.15 0.00 -0.01 0.00 0.00 56.01 51.01 1put n LEU 84 Cb 0.00 -1.12 0.44 0.00 -0.11 0.00 0.00 43.42 42.63 1put n LEU 84 CO 0.00 1.57 1.13 0.00 -1.51 0.00 0.00 177.39 178.58 1put n GLN 87 N -3.94 2.69 -1.84 0.00 10.64 0.70 -4.05 117.38 121.58 1put n GLN 87 Ca -0.11 -2.24 -0.31 0.00 -1.83 0.00 0.00 57.00 52.52 1put n GLN 87 Cb 0.83 -1.58 0.02 0.00 -0.86 0.00 0.00 30.24 28.65 1put n GLN 87 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1put s ILE 88 N -1.40 4.58 0.18 -0.39 -1.09 -0.93 -4.97 121.20 117.18 1put s ILE 88 Ca 0.41 0.84 0.09 0.00 -2.23 0.00 0.00 60.65 59.76 1put s ILE 88 Cb 0.23 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1put s ILE 88 CO 0.25 -1.09 -0.19 -0.63 -1.23 0.00 0.00 174.94 172.04 1put s ILE 89 N -3.18 1.97 -0.62 2.92 -1.09 -1.26 -2.44 121.20 117.50 1put s ILE 89 Ca 0.55 -2.00 0.01 0.00 -2.23 0.00 0.00 60.65 56.99 1put s ILE 89 Cb -0.11 -1.95 0.16 0.00 -1.58 0.00 0.00 42.46 38.97 1put s ILE 89 CO 0.54 -0.30 0.41 -0.32 -1.23 0.00 0.00 174.94 174.04 1put s MET 90 N -2.88 2.38 0.59 2.79 1.75 -0.56 -4.81 119.30 118.56 1put s MET 90 Ca 0.18 -2.74 -0.05 0.00 -1.25 0.00 0.00 55.69 51.82 1put s MET 90 Cb -0.06 -3.55 0.01 0.00 2.84 0.00 0.00 34.83 34.07 1put s MET 90 CO 0.08 -1.17 0.89 0.95 -0.65 0.00 0.00 175.02 175.12 1put s THR 91 N -0.45 3.60 -0.52 10.11 -4.23 -1.26 -3.76 115.64 119.13 1put s THR 91 Ca 0.19 -0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.79 1put s THR 91 Cb -0.20 -3.43 0.13 0.00 1.34 0.00 0.00 72.50 70.35 1put s THR 91 CO -0.04 -0.43 1.41 -2.65 -0.54 0.00 0.00 174.62 172.36 1put n PRO 92 N -2.57 0.09 -0.01 3.99 -0.02 -1.26 -2.26 135.00 132.96 1put n PRO 92 Ca 0.05 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1put n PRO 92 Cb 0.58 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.05 -6.87 -0.52 5.08 -1.99 -3.44 114.58 106.79 1put h GLU 93 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1put h GLU 93 Cb 0.01 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.30 1put h GLU 93 CO 0.00 0.52 0.48 -0.51 -1.00 0.00 0.00 179.01 178.50 1put s LEU 94 N -8.98 4.40 -0.10 1.33 1.02 -0.96 -5.03 118.68 110.37 1put s LEU 94 Ca -0.16 2.28 -0.03 0.00 0.02 0.00 0.00 54.13 56.24 1put s LEU 94 Cb 0.00 -3.80 0.05 0.00 0.02 0.00 0.00 46.19 42.46 1put s LEU 94 CO 0.63 -0.33 0.16 1.51 0.02 0.00 0.00 176.35 178.34 1put s ASP 95 N -1.02 0.84 -0.52 2.29 -4.77 -1.26 -4.23 116.67 107.99 1put s ASP 95 Ca 0.49 0.27 -0.01 0.00 -3.30 0.00 0.00 52.55 50.01 1put s ASP 95 Cb -0.31 0.28 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 1put s ASP 95 CO 0.39 -0.25 0.44 0.61 0.70 0.00 0.00 175.17 177.06 1put n GLY 96 N 5.32 0.17 3.81 2.12 0.00 -0.36 -4.72 105.19 111.53 1put n GLY 96 Ca -0.05 -0.25 -0.32 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 -3.15 3.89 -0.27 -0.61 -5.25 -1.06 -4.89 121.20 109.85 1put s ILE 97 Ca 0.07 0.82 0.02 0.00 -0.99 0.00 0.00 60.65 60.57 1put s ILE 97 Cb -0.03 -3.39 0.08 0.00 2.95 0.00 0.00 42.46 42.06 1put s ILE 97 CO 0.31 -0.60 -0.02 -0.69 -1.79 0.00 0.00 174.94 172.15 1put s VAL 98 N -2.61 1.71 0.24 8.37 1.01 -1.26 -2.31 120.40 125.55 1put s VAL 98 Ca 0.62 -1.58 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1put s VAL 98 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1put s VAL 98 CO 0.41 -0.29 0.31 0.68 0.00 0.00 0.00 175.10 176.21 1put s VAL 99 N 1.26 5.02 0.21 2.92 -7.23 -0.60 -0.41 120.40 121.58 1put s VAL 99 Ca -0.00 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1put s VAL 99 Cb -0.19 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1put s VAL 99 CO -0.09 -0.33 0.13 -1.81 -0.31 0.00 0.00 175.10 172.69 1put s ASP 100 N -3.91 0.28 0.22 4.85 1.01 0.36 0.55 116.67 120.02 1put s ASP 100 Ca 0.34 -1.39 0.06 0.00 0.71 0.00 0.00 52.55 52.27 1put s ASP 100 Cb -0.09 0.35 -0.04 0.00 1.01 0.00 0.00 42.92 44.16 1put s ASP 100 CO 0.28 -0.83 0.19 0.54 0.21 0.00 0.00 175.17 175.56 1put s VAL 101 N -4.11 4.56 0.00 -1.27 0.11 0.60 -1.49 120.40 118.80 1put s VAL 101 Ca 0.39 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1put s VAL 101 Cb 0.07 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1put s VAL 101 CO 0.12 -0.25 0.00 -2.65 -3.33 0.00 0.00 175.10 168.99 1put n PRO 102 N -0.87 -0.50 -0.02 1.54 -0.02 -0.23 -4.07 135.00 130.82 1put n PRO 102 Ca -0.08 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.43 1put n PRO 102 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.94 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 -1.76 1.72 -3.94 2.55 -0.08 -1.26 -3.96 116.55 109.81 1put n ASP 103 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1put n ASP 103 Cb 0.00 1.42 -0.17 0.00 2.34 0.00 0.00 41.12 44.72 1put n ASP 103 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1put s ARG 104 N -2.81 1.29 -0.08 -0.67 3.03 -1.26 -4.98 118.95 113.48 1put s ARG 104 Ca -0.06 -0.25 0.05 0.00 2.03 0.00 0.00 55.73 57.50 1put s ARG 104 Cb 0.08 -1.19 0.27 0.00 -1.03 0.00 0.00 34.95 33.07 1put s ARG 104 CO 0.58 -0.07 0.91 1.04 -1.13 0.00 0.00 175.30 176.64 1put n GLN 105 N 4.13 2.29 -0.41 3.89 1.13 -1.26 -4.78 117.38 122.36 1put n GLN 105 Ca -0.21 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1put n GLN 105 Cb 0.51 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53