#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 1.48 0.08 4.33 2.20 -1.26 -4.78 119.74 121.78 1put s LYS 2 Ca 0.00 -1.83 -0.16 0.00 -0.36 0.00 0.00 55.97 53.62 1put s LYS 2 Cb 0.00 0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1put s LYS 2 CO 0.00 -0.51 0.38 0.08 -0.36 0.00 0.00 175.35 174.94 1put s VAL 3 N -3.80 0.07 -0.27 4.02 1.01 0.15 -2.78 120.40 118.81 1put s VAL 3 Ca 0.39 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1put s VAL 3 Cb 0.05 -1.05 0.13 0.00 0.00 0.00 0.00 36.38 35.50 1put s VAL 3 CO 0.19 -0.32 0.55 -0.69 0.00 0.00 0.00 175.10 174.84 1put s VAL 4 N -3.06 -0.86 0.22 2.92 1.01 -0.52 -0.83 120.40 119.27 1put s VAL 4 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1put s VAL 4 Cb 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1put s VAL 4 CO -0.07 0.01 0.43 -0.31 0.00 0.00 0.00 175.10 175.16 1put s TYR 5 N 2.78 3.48 0.01 5.22 1.51 -0.50 -0.95 117.35 128.89 1put s TYR 5 Ca 0.02 0.44 0.03 0.00 -1.01 0.00 0.00 57.07 56.55 1put s TYR 5 Cb -0.13 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1put s TYR 5 CO -0.17 0.33 -0.09 0.08 -1.11 0.00 0.00 175.55 174.59 1put s VAL 6 N -1.90 0.66 0.00 0.71 1.01 0.26 -0.29 120.40 120.85 1put s VAL 6 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1put s VAL 6 Cb -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1put s VAL 6 CO 0.29 0.06 0.00 -0.24 0.00 0.00 0.00 175.10 175.20 1put n SER 7 N 2.52 0.00 0.00 3.32 2.88 -0.82 0.21 113.62 121.72 1put n SER 7 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1put n SER 7 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.09 0.00 -3.57 0.66 8.25 -1.23 -2.06 115.22 117.17 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 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 4.23 0.00 0.41 -0.08 -1.26 -4.59 116.55 115.26 1put n ASP 9 Ca 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 1put n ASP 9 Cb 0.00 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 42.49 1put n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1put n GLY 10 N 1.90 0.97 2.48 0.27 0.00 -1.26 -5.17 105.19 104.38 1put n GLY 10 Ca 0.23 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.71 2.61 -1.04 -1.26 -4.97 114.28 105.91 1put n THR 11 Ca 0.00 -1.64 -0.13 0.00 -2.04 0.00 0.00 64.05 60.24 1put n THR 11 Cb 0.00 0.33 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 1put n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put s ARG 12 N -3.25 0.52 0.74 -2.82 1.04 -1.26 -1.95 118.95 111.97 1put s ARG 12 Ca 0.00 0.67 -0.02 0.00 -1.04 0.00 0.00 55.73 55.34 1put s ARG 12 Cb 0.00 0.22 0.13 0.00 -2.04 0.00 0.00 34.95 33.26 1put s ARG 12 CO 0.00 -0.08 1.02 -0.98 -0.04 0.00 0.00 175.30 175.22 1put s ARG 13 N 0.42 1.61 -0.03 3.89 3.03 0.61 -4.83 118.95 123.65 1put s ARG 13 Ca -0.01 -1.05 -0.01 0.00 2.03 0.00 0.00 55.73 56.69 1put s ARG 13 Cb -0.04 -2.30 0.03 0.00 -1.03 0.00 0.00 34.95 31.62 1put s ARG 13 CO -0.01 -1.51 0.05 1.14 -1.13 0.00 0.00 175.30 173.84 1put s GLN 14 N -5.19 -0.03 0.19 3.89 -2.07 -1.26 -1.42 119.66 113.77 1put s GLN 14 Ca 0.67 0.25 0.04 0.00 -1.82 0.00 0.00 55.36 54.50 1put s GLN 14 Cb -0.05 -0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 31.57 1put s GLN 14 CO 0.45 -0.20 0.16 1.47 -1.32 0.00 0.00 175.29 175.85 1put n LEU 15 N 4.40 0.00 -3.88 2.60 -0.00 -0.01 -4.94 117.00 115.16 1put n LEU 15 Ca -0.23 -1.77 -0.28 0.00 -0.00 0.00 0.00 56.01 53.72 1put n LEU 15 Cb 0.50 0.93 -0.12 0.00 -0.00 0.00 0.00 43.42 44.72 1put n LEU 15 CO 0.19 -0.29 -0.08 -1.81 -0.00 0.00 0.00 177.39 175.39 1put s ASP 16 N -2.31 4.54 -0.17 1.45 1.11 -1.26 0.33 116.67 120.37 1put s ASP 16 Ca 0.22 -3.61 -0.29 0.00 0.18 0.00 0.00 52.55 49.06 1put s ASP 16 Cb 0.01 -1.57 -0.06 0.00 1.07 0.00 0.00 42.92 42.37 1put s ASP 16 CO 0.16 -0.12 2.18 0.52 1.18 0.00 0.00 175.17 179.08 1put n VAL 17 N 2.30 0.42 -0.91 -1.27 0.31 -1.26 -4.91 118.33 113.01 1put n VAL 17 Ca 0.17 -0.40 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 1put n VAL 17 Cb 0.35 -2.50 0.07 0.00 -0.91 0.00 0.00 33.84 30.85 1put n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1put n ALA 18 N 10.91 -5.27 -2.69 3.52 0.00 -1.26 -4.78 120.51 120.94 1put n ALA 18 Ca 0.28 -1.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.04 1put n ALA 18 Cb 0.44 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1put n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1put s ASP 19 N -1.25 7.03 0.00 0.00 1.01 -1.25 -3.38 116.67 118.82 1put s ASP 19 Ca 0.42 1.25 0.00 0.00 0.71 0.00 0.00 52.55 54.94 1put s ASP 19 Cb 0.01 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1put s ASP 19 CO 0.68 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.37 1put n GLY 20 N 3.27 0.95 3.70 0.21 0.00 -1.23 -5.00 105.19 107.10 1put n GLY 20 Ca 0.03 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 2.25 -0.12 1.61 1.01 -1.22 -4.98 120.40 116.96 1put s VAL 21 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 1put s VAL 21 Cb 0.00 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1put s VAL 21 CO 0.00 -0.01 0.01 -0.55 0.00 0.00 0.00 175.10 174.54 1put s SER 22 N -3.85 5.22 0.59 3.32 0.15 -1.26 -1.43 113.70 116.45 1put s SER 22 Ca 0.39 0.07 0.31 0.00 0.70 0.00 0.00 55.95 57.43 1put s SER 22 Cb 0.05 -1.64 1.23 0.00 -1.71 0.00 0.00 66.02 63.95 1put s SER 22 CO 0.21 0.29 1.55 -0.07 1.20 0.00 0.00 173.24 176.43 1put h LEU 23 N 5.79 0.00 -0.02 3.45 -0.00 -1.71 0.87 115.31 123.69 1put h LEU 23 Ca -0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.41 1put h LEU 23 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1put h LEU 23 CO 0.59 0.00 -0.10 -0.03 -0.00 0.00 0.00 178.44 178.90 1put h MET 24 N 0.00 0.11 0.07 1.13 4.05 -1.82 -1.71 114.93 116.76 1put h MET 24 Ca 0.47 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.83 1put h MET 24 Cb 2.46 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 33.23 1put h MET 24 CO -0.00 0.74 -0.35 0.37 0.23 0.00 0.00 176.91 177.89 1put h GLN 25 N -0.50 -0.53 -0.10 0.39 5.75 0.40 0.28 115.11 120.79 1put h GLN 25 Ca -0.01 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1put h GLN 25 Cb 0.76 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.42 1put h GLN 25 CO 0.02 -0.35 0.09 0.00 -2.65 0.00 0.00 178.83 175.94 1put h ALA 26 N 0.08 1.81 -0.09 3.38 0.00 -1.49 0.70 119.26 123.65 1put h ALA 26 Ca 0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1put h ALA 26 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1put h ALA 26 CO -0.24 -0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.38 1put h ALA 27 N 1.90 1.03 -0.87 0.00 0.00 0.44 -1.88 119.26 119.88 1put h ALA 27 Ca 0.05 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 54.68 1put h ALA 27 Cb 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1put h ALA 27 CO -0.00 0.64 0.57 0.28 0.00 0.00 0.00 179.25 180.74 1put h VAL 28 N 0.18 0.74 0.00 0.00 2.07 0.91 0.22 116.25 120.37 1put h VAL 28 Ca 0.01 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 1put h VAL 28 Cb 0.91 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1put h VAL 28 CO 0.07 0.09 -0.94 -1.28 0.02 0.00 0.00 177.57 175.53 1put h SER 29 N 0.49 0.00 0.00 0.57 0.87 -1.58 -3.32 113.55 110.58 1put h SER 29 Ca 0.45 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1put h SER 29 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1put h SER 29 CO -0.18 1.27 0.24 0.78 -0.53 0.00 0.00 176.83 178.40 1put h ASN 30 N -1.00 0.00 0.00 6.23 2.35 -1.07 -3.44 115.58 118.65 1put h ASN 30 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1put h ASN 30 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1put h ASN 30 CO -0.14 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.25 1put n GLY 31 N -1.26 0.54 0.08 2.83 0.00 0.60 -4.92 105.19 103.06 1put n GLY 31 Ca -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1put n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1put n ILE 32 N -2.76 1.07 -0.27 -0.61 5.41 -0.22 -3.68 119.36 118.30 1put n ILE 32 Ca 0.00 -0.77 0.09 0.00 1.00 0.00 0.00 62.75 63.07 1put n ILE 32 Cb 0.00 -0.37 0.23 0.00 -0.71 0.00 0.00 39.64 38.79 1put n ILE 32 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1put h TYR 33 N 0.00 0.36 -0.01 1.39 -0.00 -1.59 1.11 116.97 118.23 1put h TYR 33 Ca -0.41 0.04 -0.17 0.00 -0.00 0.00 0.00 58.73 58.20 1put h TYR 33 Cb 1.95 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.73 38.63 1put h TYR 33 CO 0.00 -0.11 -0.75 0.38 -0.00 0.00 0.00 178.16 177.68 1put h ASP 34 N 0.28 0.13 0.09 0.10 3.04 -1.82 -2.75 116.42 115.49 1put h ASP 34 Ca 0.48 -0.10 -0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1put h ASP 34 Cb 0.87 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 39.13 1put h ASP 34 CO -0.56 0.83 -0.00 0.40 -2.04 0.00 0.00 179.24 177.88 1put h ILE 35 N 0.07 0.02 -0.60 4.15 2.04 0.11 -3.40 117.51 119.90 1put h ILE 35 Ca -0.02 -0.05 0.20 0.00 1.00 0.00 0.00 64.86 65.99 1put h ILE 35 Cb 1.32 1.05 -0.22 0.00 -0.74 0.00 0.00 36.82 38.24 1put h ILE 35 CO 0.11 0.00 0.07 0.54 0.00 0.00 0.00 178.15 178.87 1put s VAL 36 N -4.12 -0.50 0.00 1.67 0.11 -0.06 -5.03 120.40 112.46 1put s VAL 36 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1put s VAL 36 Cb 0.13 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1put s VAL 36 CO 0.43 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1put n GLY 37 N 5.36 -0.61 0.00 6.54 0.00 -1.19 -4.61 105.19 110.69 1put n GLY 37 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1put n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1put n ASP 38 N 0.00 0.00 -0.24 1.61 9.92 -1.26 -4.74 116.55 121.84 1put n ASP 38 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 1put n ASP 38 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1put n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1put n GLY 40 N 0.70 0.30 0.00 0.00 0.00 -1.26 -4.57 105.19 100.37 1put n GLY 40 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -2.68 3.38 -0.02 0.00 -1.26 -4.47 105.19 100.13 1put n GLY 41 Ca 0.00 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.77 6.18 0.00 1.61 0.01 -1.26 -4.81 113.70 113.66 1put s SER 42 Ca 0.00 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1put s SER 42 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1put s SER 42 CO 0.00 -1.14 0.00 0.00 0.41 0.00 0.00 173.24 172.51 1put n ALA 43 N 6.45 0.07 -2.67 1.44 0.00 -1.26 -5.07 120.51 119.47 1put n ALA 43 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1put n ALA 43 Cb 0.43 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.00 1put n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1put n SER 44 N 0.00 -1.46 -4.92 0.00 2.88 -1.26 -4.89 113.62 103.97 1put n SER 44 Ca 0.00 -2.20 -0.31 0.00 -1.33 0.00 0.00 58.87 55.03 1put n SER 44 Cb 0.00 0.69 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 1put n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1put n ALA 46 N 0.31 4.03 0.11 0.00 0.00 -1.25 -4.38 120.51 119.34 1put n ALA 46 Ca -0.05 -2.47 0.11 0.00 0.00 0.00 0.00 53.44 51.03 1put n ALA 46 Cb 0.51 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.42 0.60 -1.11 0.00 -1.04 -1.26 -4.08 114.28 106.98 1put n THR 47 Ca 0.33 -0.54 -0.22 0.00 -2.04 0.00 0.00 64.05 61.58 1put n THR 47 Cb 1.17 -0.33 0.02 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.35 2.91 -2.67 0.00 -0.00 -1.26 -1.42 115.22 113.13 1put n HIS 49 Ca 0.39 -2.52 -0.37 0.00 -0.00 0.00 0.00 57.72 55.22 1put n HIS 49 Cb 0.57 -2.24 -0.05 0.00 -0.00 0.00 0.00 29.99 28.28 1put n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1put s VAL 50 N 3.98 3.97 -0.47 3.57 -7.23 -0.80 -2.02 120.40 121.40 1put s VAL 50 Ca 0.51 1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 62.26 1put s VAL 50 Cb 0.14 -3.91 0.12 0.00 0.56 0.00 0.00 36.38 33.29 1put s VAL 50 CO -0.01 0.13 0.31 -0.31 -0.31 0.00 0.00 175.10 174.91 1put s TYR 51 N -1.57 3.50 0.69 2.82 2.02 -0.44 -2.29 117.35 122.08 1put s TYR 51 Ca 0.52 -2.15 -0.03 0.00 -0.37 0.00 0.00 57.07 55.04 1put s TYR 51 Cb -0.21 -3.38 0.09 0.00 -0.40 0.00 0.00 41.96 38.06 1put s TYR 51 CO 0.27 -0.98 0.96 0.08 -1.57 0.00 0.00 175.55 174.32 1put s VAL 52 N 1.15 2.30 1.01 0.71 1.01 -1.26 0.65 120.40 125.97 1put s VAL 52 Ca 0.08 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1put s VAL 52 Cb -0.24 -2.80 0.25 0.00 0.00 0.00 0.00 36.38 33.59 1put s VAL 52 CO -0.02 0.00 0.87 0.59 0.00 0.00 0.00 175.10 176.53 1put n ASN 53 N -2.79 -2.07 -0.75 3.32 3.02 -0.11 -4.87 115.26 111.01 1put n ASN 53 Ca 0.12 -1.01 0.11 0.00 -0.03 0.00 0.00 54.58 53.77 1put n ASN 53 Cb 0.60 -0.81 0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1put n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1put n GLU 54 N -4.29 1.85 -0.01 3.52 1.02 -1.26 -3.93 120.64 117.54 1put n GLU 54 Ca 0.12 -1.54 0.04 0.00 -0.02 0.00 0.00 57.16 55.76 1put n GLU 54 Cb 0.48 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1put n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1put n ALA 55 N 0.82 2.29 0.00 0.62 0.00 -1.26 -4.57 120.51 118.41 1put n ALA 55 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.27 1put n ALA 55 Cb 0.52 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.95 0.48 0.01 0.00 3.72 -1.26 -4.12 117.46 114.35 1put n PHE 56 Ca -0.04 0.15 0.01 0.00 -0.05 0.00 0.00 57.45 57.52 1put n PHE 56 Cb 0.36 -0.86 0.33 0.00 -0.94 0.00 0.00 39.48 38.37 1put n PHE 56 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1put h THR 57 N 0.00 1.18 0.43 4.37 1.35 -1.81 -2.11 112.91 116.32 1put h THR 57 Ca -0.16 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1put h THR 57 Cb 1.43 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1put h THR 57 CO 0.02 0.24 -0.20 -0.78 -0.25 0.00 0.00 175.52 174.55 1put h ASP 58 N 0.48 -0.48 -0.34 5.36 1.82 -1.81 -2.77 116.42 118.66 1put h ASP 58 Ca 0.11 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.86 1put h ASP 58 Cb 0.28 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1put h ASP 58 CO 0.01 -0.24 0.58 0.11 -1.61 0.00 0.00 179.24 178.08 1put h LYS 59 N -0.78 0.00 -7.10 0.28 1.79 -1.71 -3.41 116.57 105.64 1put h LYS 59 Ca -0.06 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.91 1put h LYS 59 Cb 0.44 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 31.30 1put h LYS 59 CO 0.10 0.00 -0.08 1.55 -1.08 0.00 0.00 179.45 179.94 1put n VAL 60 N -3.28 0.00 -0.45 0.50 3.14 -0.80 -4.95 118.33 112.49 1put n VAL 60 Ca 0.06 -0.16 -0.29 0.00 -2.96 0.00 0.00 64.34 61.00 1put n VAL 60 Cb 0.72 -0.90 0.26 0.00 -1.06 0.00 0.00 33.84 32.86 1put n VAL 60 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1put n PRO 61 N -3.77 -2.84 -2.77 1.45 -0.02 -1.26 -4.94 135.00 120.84 1put n PRO 61 Ca 0.08 -0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 60.41 1put n PRO 61 Cb 0.53 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 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 -5.09 5.38 -1.24 3.55 0.00 -1.26 -5.01 120.51 116.84 1put n ALA 62 Ca 0.03 -4.65 -0.38 0.00 0.00 0.00 0.00 53.44 48.45 1put n ALA 62 Cb 0.56 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.02 -1.00 0.00 0.00 -1.26 -4.92 120.51 110.14 1put n ALA 63 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1put n ALA 63 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 2.08 -0.45 -0.03 0.00 3.02 -1.26 -4.95 115.26 113.67 1put n ASN 64 Ca 0.07 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 1put n ASN 64 Cb 0.49 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.47 0.67 -0.25 3.52 0.00 -1.26 -4.30 120.64 118.54 1put n GLU 65 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 57.16 56.92 1put n GLU 65 Cb 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 31.44 29.88 1put n GLU 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1put h ARG 66 N 0.00 -0.18 -0.06 5.31 3.08 -2.01 0.74 114.38 121.26 1put h ARG 66 Ca -0.12 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1put h ARG 66 Cb 1.26 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1put h ARG 66 CO 0.01 -0.12 -0.20 1.05 -1.07 0.00 0.00 179.97 179.64 1put h GLU 67 N -0.19 0.10 -0.70 0.04 9.09 -1.90 -2.53 114.58 118.48 1put h GLU 67 Ca 0.19 -0.02 0.07 0.00 0.05 0.00 0.00 59.36 59.65 1put h GLU 67 Cb 0.55 -0.01 -0.06 0.00 -1.65 0.00 0.00 28.75 27.58 1put h GLU 67 CO -0.75 0.30 0.38 0.82 0.05 0.00 0.00 179.01 179.81 1put h ILE 68 N 0.09 0.93 -0.00 -1.06 1.08 0.26 -0.71 117.51 118.09 1put h ILE 68 Ca 0.02 -0.23 -0.15 0.00 -0.39 0.00 0.00 64.86 64.11 1put h ILE 68 Cb 0.41 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1put h ILE 68 CO 0.03 0.12 -0.69 1.23 -0.69 0.00 0.00 178.15 178.15 1put h GLY 69 N 0.68 0.01 2.00 5.37 0.00 -0.86 -2.74 103.07 107.53 1put h GLY 69 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1put h GLY 69 CO -0.21 0.02 0.00 -0.33 0.00 0.00 0.00 176.54 176.01 1put h MET 70 N 0.01 0.00 -0.00 4.80 2.86 -0.82 -1.55 114.93 120.22 1put h MET 70 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1put h MET 70 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1put h MET 70 CO 0.09 0.00 -0.49 -0.11 1.06 0.00 0.00 176.91 177.46 1put n LEU 71 N -2.47 0.66 0.17 1.22 7.94 -0.67 -3.77 117.00 120.08 1put n LEU 71 Ca 0.01 -0.10 0.06 0.00 -1.11 0.00 0.00 56.01 54.88 1put n LEU 71 Cb 0.22 -0.20 0.09 0.00 0.53 0.00 0.00 43.42 44.06 1put n LEU 71 CO 0.20 0.15 0.61 -0.08 -1.11 0.00 0.00 177.39 177.17 1put h GLU 72 N 0.27 0.00 -1.87 1.96 4.81 -1.31 -3.29 114.58 115.16 1put h GLU 72 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1put h GLU 72 Cb 0.50 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 1put h GLU 72 CO 0.00 0.30 0.11 0.00 -0.73 0.00 0.00 179.01 178.69 1put s VAL 74 N -0.94 3.71 -2.09 0.00 -7.23 -1.24 -4.47 120.40 108.13 1put s VAL 74 Ca 0.41 -1.41 0.14 0.00 -1.81 0.00 0.00 61.98 59.31 1put s VAL 74 Cb 0.25 -3.21 0.36 0.00 0.56 0.00 0.00 36.38 34.33 1put s VAL 74 CO -0.06 -0.22 1.42 0.41 -0.31 0.00 0.00 175.10 176.34 1put n THR 75 N -1.31 0.18 -2.34 5.32 -1.04 -1.26 -4.84 114.28 109.00 1put n THR 75 Ca -0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1put n THR 75 Cb 0.59 0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1put n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put n ALA 76 N -0.06 0.00 -2.60 2.41 0.00 -1.26 -4.76 120.51 114.25 1put n ALA 76 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 1put n ALA 76 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 1.94 2.19 0.19 0.00 -1.05 -1.26 -5.08 118.70 115.62 1put s GLU 77 Ca 0.00 -1.07 0.07 0.00 -0.15 0.00 0.00 54.97 53.82 1put s GLU 77 Cb 0.00 -2.31 -0.05 0.00 -0.44 0.00 0.00 34.13 31.34 1put s GLU 77 CO 0.00 0.49 -0.13 -1.17 0.95 0.00 0.00 175.26 175.40 1put s LEU 78 N -2.44 2.55 0.26 1.83 0.20 -1.26 -4.99 118.68 114.82 1put s LEU 78 Ca 0.23 -1.01 -0.09 0.00 0.69 0.00 0.00 54.13 53.95 1put s LEU 78 Cb -0.10 -0.58 -0.01 0.00 -0.43 0.00 0.00 46.19 45.07 1put s LEU 78 CO 0.15 -0.21 0.42 -1.59 -0.29 0.00 0.00 176.35 174.83 1put s LYS 79 N -3.64 1.55 0.34 1.98 0.00 -1.26 -4.99 119.74 113.71 1put s LYS 79 Ca 0.20 -1.39 0.19 0.00 0.00 0.00 0.00 55.97 54.97 1put s LYS 79 Cb 0.00 0.43 1.02 0.00 0.00 0.00 0.00 37.83 39.29 1put s LYS 79 CO 0.05 -0.63 1.53 -1.35 0.00 0.00 0.00 175.35 174.95 1put h PRO 80 N 2.29 0.00 0.02 1.78 0.10 -2.03 0.02 132.00 134.17 1put h PRO 80 Ca -0.28 0.00 -0.27 0.00 0.10 0.00 0.00 66.00 65.55 1put h PRO 80 Cb 1.25 0.00 -0.04 0.00 0.10 0.00 0.00 31.00 32.31 1put h PRO 80 CO 0.39 0.00 -1.49 -0.97 0.10 0.00 0.00 178.00 176.03 1put h ASN 81 N 0.00 0.05 -4.29 -2.05 -0.00 -1.94 -3.47 115.58 103.88 1put h ASN 81 Ca 0.00 -0.09 -0.52 0.00 -0.00 0.00 0.00 56.30 55.70 1put h ASN 81 Cb 0.26 -0.02 0.14 0.00 -0.00 0.00 0.00 38.32 38.69 1put h ASN 81 CO 0.00 1.08 0.32 -0.44 -0.00 0.00 0.00 177.43 178.38 1put s SER 82 N -6.40 4.39 0.21 1.15 0.01 -0.01 -4.10 113.70 108.95 1put s SER 82 Ca -0.04 1.90 -0.23 0.00 1.31 0.00 0.00 55.95 58.89 1put s SER 82 Cb 0.08 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.83 1put s SER 82 CO 0.82 -2.11 0.73 -0.13 0.41 0.00 0.00 173.24 172.97 1put s ARG 83 N -4.75 1.48 -0.25 12.44 0.52 -0.97 -4.86 118.95 122.56 1put s ARG 83 Ca 0.63 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 1put s ARG 83 Cb -0.18 0.56 0.01 0.00 0.52 0.00 0.00 34.95 35.85 1put s ARG 83 CO 0.54 -0.67 1.06 -0.51 0.02 0.00 0.00 175.30 175.74 1put s LEU 84 N -2.84 4.05 0.61 2.53 1.02 -1.25 -1.91 118.68 120.89 1put s LEU 84 Ca 0.08 1.30 0.26 0.00 0.02 0.00 0.00 54.13 55.79 1put s LEU 84 Cb -0.04 -3.54 1.18 0.00 0.02 0.00 0.00 46.19 43.81 1put s LEU 84 CO -0.01 -0.74 1.62 0.00 0.02 0.00 0.00 176.35 177.24 1put n GLN 87 N -0.12 0.00 -4.49 0.00 1.13 0.23 -4.38 117.38 109.74 1put n GLN 87 Ca 0.25 -0.33 -0.34 0.00 -1.94 0.00 0.00 57.00 54.64 1put n GLN 87 Cb 0.95 -0.26 -0.10 0.00 0.11 0.00 0.00 30.24 30.93 1put n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1put s ILE 88 N 0.00 3.98 0.05 5.09 -1.09 -1.24 -4.71 121.20 123.28 1put s ILE 88 Ca 0.00 -0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.08 1put s ILE 88 Cb 0.00 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 1put s ILE 88 CO 0.00 0.58 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.46 1put s ILE 89 N -0.87 1.55 -1.04 2.92 -1.09 -1.26 -2.25 121.20 119.16 1put s ILE 89 Ca 0.13 -1.22 -0.11 0.00 -2.23 0.00 0.00 60.65 57.22 1put s ILE 89 Cb -0.11 -1.37 0.24 0.00 -1.58 0.00 0.00 42.46 39.64 1put s ILE 89 CO 0.03 0.11 1.06 -0.32 -1.23 0.00 0.00 174.94 174.59 1put s MET 90 N -1.31 4.00 0.51 2.79 1.75 -0.51 -4.81 119.30 121.72 1put s MET 90 Ca 0.06 -2.88 -0.13 0.00 -1.25 0.00 0.00 55.69 51.49 1put s MET 90 Cb -0.09 -4.60 -0.06 0.00 2.84 0.00 0.00 34.83 32.92 1put s MET 90 CO 0.02 -1.34 0.93 0.95 -0.65 0.00 0.00 175.02 174.94 1put s THR 91 N -0.37 4.65 -0.14 10.11 -4.23 -1.26 -3.49 115.64 120.91 1put s THR 91 Ca 0.29 0.95 0.20 0.00 -1.18 0.00 0.00 61.69 61.96 1put s THR 91 Cb -0.09 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 70.19 1put s THR 91 CO -0.07 -0.76 1.61 -2.65 -0.54 0.00 0.00 174.62 172.21 1put n PRO 92 N -1.80 0.13 -0.03 3.99 -0.02 -1.26 -1.34 135.00 134.68 1put n PRO 92 Ca 0.05 0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 1put n PRO 92 Cb 0.54 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.72 -6.49 -0.52 4.39 -1.98 -3.44 114.58 107.26 1put h GLU 93 Ca 0.00 -0.57 -0.53 0.00 0.34 0.00 0.00 59.36 58.60 1put h GLU 93 Cb 0.12 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1put h GLU 93 CO 0.00 1.18 0.09 -0.51 -1.16 0.00 0.00 179.01 178.62 1put s LEU 94 N -8.52 4.44 -0.04 1.33 1.02 -0.45 -5.07 118.68 111.40 1put s LEU 94 Ca -0.11 1.43 -0.00 0.00 0.02 0.00 0.00 54.13 55.47 1put s LEU 94 Cb 0.08 -3.39 0.03 0.00 0.02 0.00 0.00 46.19 42.93 1put s LEU 94 CO 0.88 0.12 0.02 -1.81 0.02 0.00 0.00 176.35 175.57 1put s ASP 95 N -1.44 0.70 -0.71 2.29 1.01 -1.26 -4.32 116.67 112.94 1put s ASP 95 Ca 0.39 -0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 1put s ASP 95 Cb -0.19 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.53 1put s ASP 95 CO 0.22 -0.15 0.60 0.61 0.21 0.00 0.00 175.17 176.66 1put n GLY 96 N 4.53 -0.03 3.82 0.21 0.00 -1.12 -4.74 105.19 107.86 1put n GLY 96 Ca -0.19 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1put n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1put s ILE 97 N -3.21 4.17 -0.30 -0.61 -1.16 -1.20 -4.88 121.20 114.02 1put s ILE 97 Ca 0.01 1.23 0.03 0.00 -0.51 0.00 0.00 60.65 61.41 1put s ILE 97 Cb -0.00 -3.56 0.08 0.00 0.61 0.00 0.00 42.46 39.59 1put s ILE 97 CO 0.43 -0.41 -0.01 -0.69 -2.81 0.00 0.00 174.94 171.45 1put s VAL 98 N -2.27 1.99 -0.01 4.00 1.01 -1.26 -1.44 120.40 122.42 1put s VAL 98 Ca 0.63 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1put s VAL 98 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1put s VAL 98 CO 0.23 -0.35 0.22 0.68 0.00 0.00 0.00 175.10 175.87 1put s VAL 99 N 1.11 5.39 0.46 2.92 -7.23 -0.13 -0.94 120.40 121.98 1put s VAL 99 Ca 0.02 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1put s VAL 99 Cb -0.19 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1put s VAL 99 CO -0.08 0.37 0.04 -1.81 -0.31 0.00 0.00 175.10 173.30 1put s ASP 100 N -1.74 3.67 -0.01 4.85 1.11 0.21 0.89 116.67 125.64 1put s ASP 100 Ca 0.26 -1.59 0.02 0.00 0.18 0.00 0.00 52.55 51.41 1put s ASP 100 Cb -0.13 0.32 -0.03 0.00 1.07 0.00 0.00 42.92 44.15 1put s ASP 100 CO 0.16 -0.79 -0.02 -0.69 1.18 0.00 0.00 175.17 175.02 1put s VAL 101 N -2.95 4.03 1.17 -1.27 1.01 0.56 -1.32 120.40 121.62 1put s VAL 101 Ca 0.17 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1put s VAL 101 Cb 0.04 -2.77 0.19 0.00 0.00 0.00 0.00 36.38 33.84 1put s VAL 101 CO 0.09 0.41 0.37 -2.65 0.00 0.00 0.00 175.10 173.31 1put n PRO 102 N 1.53 -2.34 0.15 2.72 -0.02 -0.86 -3.56 135.00 132.61 1put n PRO 102 Ca -0.15 -0.67 0.12 0.00 -2.02 0.00 0.00 63.50 60.78 1put n PRO 102 Cb 0.53 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.46 1put n PRO 102 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1put h ASP 103 N -2.51 0.00 -3.45 2.55 3.32 -1.94 -3.37 116.42 111.02 1put h ASP 103 Ca -0.50 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 55.94 1put h ASP 103 Cb 1.27 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.42 1put h ASP 103 CO 0.36 0.01 -0.77 -0.60 -1.72 0.00 0.00 179.24 176.52 1put s ARG 104 N -3.18 1.18 0.00 3.56 6.06 -1.26 -4.97 118.95 120.34 1put s ARG 104 Ca 0.07 -0.92 0.16 0.00 -2.50 0.00 0.00 55.73 52.55 1put s ARG 104 Cb 0.09 -2.39 0.94 0.00 0.06 0.00 0.00 34.95 33.65 1put s ARG 104 CO 0.66 -0.71 1.60 0.00 -2.50 0.00 0.00 175.30 174.35 1put n GLN 105 N 4.78 0.99 -0.48 5.12 10.64 -1.26 -4.74 117.38 132.43 1put n GLN 105 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1put n GLN 105 Cb 0.44 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14