#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 0.72 -0.16 4.33 2.20 -1.26 -4.72 119.74 120.85 1put s LYS 2 Ca 0.00 -1.29 -0.08 0.00 -0.36 0.00 0.00 55.97 54.24 1put s LYS 2 Cb 0.00 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.58 1put s LYS 2 CO 0.00 -0.15 0.38 0.08 -0.36 0.00 0.00 175.35 175.30 1put s VAL 3 N -3.95 -0.12 0.21 4.02 1.01 -0.41 -2.12 120.40 119.05 1put s VAL 3 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1put s VAL 3 Cb 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1put s VAL 3 CO -0.06 0.05 -0.02 -0.69 0.00 0.00 0.00 175.10 174.38 1put s VAL 4 N 1.57 0.97 0.07 2.92 1.01 -0.71 -0.26 120.40 125.98 1put s VAL 4 Ca -0.08 -2.03 0.01 0.00 0.00 0.00 0.00 61.98 59.88 1put s VAL 4 Cb -0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1put s VAL 4 CO -0.12 -0.42 -0.05 -0.31 0.00 0.00 0.00 175.10 174.20 1put s TYR 5 N -3.46 0.71 -0.02 5.22 1.51 -0.91 -1.62 117.35 118.78 1put s TYR 5 Ca 0.26 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1put s TYR 5 Cb 0.05 -0.45 -0.00 0.00 -0.11 0.00 0.00 41.96 41.45 1put s TYR 5 CO 0.06 -0.25 -0.11 0.08 -1.11 0.00 0.00 175.55 174.23 1put s VAL 6 N -3.66 0.89 0.57 0.71 1.01 0.18 -3.82 120.40 116.29 1put s VAL 6 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1put s VAL 6 Cb 0.06 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1put s VAL 6 CO -0.07 0.27 0.80 -0.55 0.00 0.00 0.00 175.10 175.55 1put s SER 7 N 0.01 5.15 0.00 3.32 0.15 -1.21 0.20 113.70 121.32 1put s SER 7 Ca -0.01 -0.07 0.11 0.00 0.70 0.00 0.00 55.95 56.68 1put s SER 7 Cb -0.07 -0.74 0.53 0.00 -1.71 0.00 0.00 66.02 64.03 1put s SER 7 CO 0.00 -1.24 1.24 0.00 1.20 0.00 0.00 173.24 174.44 1put n HIS 8 N -2.41 0.00 0.48 3.44 1.44 -1.26 -1.57 115.22 115.34 1put n HIS 8 Ca 0.09 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.86 1put n HIS 8 Cb 0.60 -0.30 0.02 0.00 0.12 0.00 0.00 29.99 30.42 1put n HIS 8 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1put n ASP 9 N -1.30 1.52 0.00 4.39 2.03 -1.26 -4.96 116.55 116.97 1put n ASP 9 Ca 0.05 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1put n ASP 9 Cb 0.09 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.83 1.20 3.51 0.27 0.00 -0.61 -5.01 105.19 105.37 1put n GLY 10 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.53 0.23 -3.46 2.61 -1.04 -1.26 -4.68 114.28 105.15 1put n THR 11 Ca 0.00 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1put n THR 11 Cb 0.00 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 66.94 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 5.46 2.87 -0.12 -2.82 3.52 -1.26 -3.33 118.95 123.26 1put s ARG 12 Ca 1.07 -1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 55.24 1put s ARG 12 Cb -0.94 -4.00 0.04 0.00 -1.56 0.00 0.00 34.95 28.49 1put s ARG 12 CO 0.54 -0.97 0.30 0.50 -0.81 0.00 0.00 175.30 174.86 1put s ARG 13 N 1.58 0.30 0.52 5.12 3.52 -1.25 -5.07 118.95 123.68 1put s ARG 13 Ca 0.04 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1put s ARG 13 Cb -0.23 0.01 -0.00 0.00 -1.56 0.00 0.00 34.95 33.16 1put s ARG 13 CO 0.06 -0.12 0.00 -0.65 -0.81 0.00 0.00 175.30 173.78 1put s GLN 14 N 0.87 2.22 -0.00 5.12 1.11 -1.26 -2.14 119.66 125.58 1put s GLN 14 Ca -0.06 -2.44 -0.17 0.00 0.01 0.00 0.00 55.36 52.71 1put s GLN 14 Cb -0.07 -1.52 0.06 0.00 -1.01 0.00 0.00 33.01 30.47 1put s GLN 14 CO -0.06 -0.40 0.76 1.47 0.01 0.00 0.00 175.29 177.08 1put n LEU 15 N -1.30 0.00 -3.85 2.90 -0.00 0.64 -4.96 117.00 110.45 1put n LEU 15 Ca -0.21 -0.31 -0.30 0.00 -0.00 0.00 0.00 56.01 55.19 1put n LEU 15 Cb 0.67 1.18 -0.15 0.00 -0.00 0.00 0.00 43.42 45.12 1put n LEU 15 CO 0.37 -0.10 -0.33 -1.81 -0.00 0.00 0.00 177.39 175.52 1put s ASP 16 N -2.70 4.32 -0.33 1.45 1.11 -1.26 -1.29 116.67 117.97 1put s ASP 16 Ca 0.18 -1.84 -0.28 0.00 0.18 0.00 0.00 52.55 50.79 1put s ASP 16 Cb -0.01 -1.16 -0.03 0.00 1.07 0.00 0.00 42.92 42.79 1put s ASP 16 CO -0.00 -0.40 1.95 -0.69 1.18 0.00 0.00 175.17 177.21 1put s VAL 17 N 1.34 3.31 1.02 -1.27 1.01 -1.26 -4.94 120.40 119.60 1put s VAL 17 Ca 0.10 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1put s VAL 17 Cb -0.18 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1put s VAL 17 CO -0.19 -0.31 -0.51 0.00 0.00 0.00 0.00 175.10 174.09 1put n ALA 18 N 11.18 -3.55 -2.68 5.51 0.00 -1.26 -4.83 120.51 124.88 1put n ALA 18 Ca 0.25 -1.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1put n ALA 18 Cb 0.47 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.50 7.11 0.00 0.00 1.01 -1.26 -3.68 116.67 118.35 1put s ASP 19 Ca 0.42 1.37 0.00 0.00 0.71 0.00 0.00 52.55 55.04 1put s ASP 19 Cb -0.02 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1put s ASP 19 CO 0.56 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 176.14 1put n GLY 20 N 3.24 0.92 3.24 0.21 0.00 -1.25 -5.03 105.19 106.51 1put n GLY 20 Ca 0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.55 0.85 -0.11 1.61 1.01 -1.24 -5.02 120.40 114.95 1put s VAL 21 Ca 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 59.88 1put s VAL 21 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1put s VAL 21 CO 0.00 -0.62 0.22 -0.44 0.00 0.00 0.00 175.10 174.25 1put s SER 22 N -3.16 6.46 0.59 3.32 0.01 -1.26 -1.45 113.70 118.21 1put s SER 22 Ca 0.20 0.54 0.31 0.00 1.31 0.00 0.00 55.95 58.30 1put s SER 22 Cb 0.05 -2.13 1.30 0.00 0.21 0.00 0.00 66.02 65.45 1put s SER 22 CO 0.02 0.31 1.64 -0.07 0.41 0.00 0.00 173.24 175.55 1put h LEU 23 N 5.42 0.00 -0.05 2.44 3.38 -1.77 0.87 115.31 125.61 1put h LEU 23 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1put h LEU 23 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1put h LEU 23 CO 0.64 0.00 -0.22 0.24 0.09 0.00 0.00 178.44 179.19 1put h MET 24 N 0.00 0.24 -0.33 1.13 2.86 -1.86 -2.21 114.93 114.76 1put h MET 24 Ca 0.41 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.94 1put h MET 24 Cb 2.17 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 33.79 1put h MET 24 CO -0.00 0.84 -0.15 0.37 1.06 0.00 0.00 176.91 179.02 1put h GLN 25 N -0.31 -0.10 0.00 1.72 5.75 0.39 0.45 115.11 123.02 1put h GLN 25 Ca -0.01 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1put h GLN 25 Cb 0.87 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.45 1put h GLN 25 CO 0.05 -0.06 -0.04 0.00 -2.65 0.00 0.00 178.83 176.12 1put h ALA 26 N 1.16 1.89 0.00 3.38 0.00 -1.45 0.06 119.26 124.30 1put h ALA 26 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1put h ALA 26 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1put h ALA 26 CO -0.39 0.05 -0.34 0.00 0.00 0.00 0.00 179.25 178.57 1put h ALA 27 N 1.96 0.96 -0.83 0.00 0.00 0.44 -2.34 119.26 119.45 1put h ALA 27 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1put h ALA 27 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1put h ALA 27 CO 0.01 0.42 0.50 0.28 0.00 0.00 0.00 179.25 180.46 1put h VAL 28 N 0.00 1.03 0.00 0.00 2.07 0.12 0.30 116.25 119.77 1put h VAL 28 Ca -0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1put h VAL 28 Cb 0.91 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1put h VAL 28 CO 0.04 0.17 -0.40 -1.28 0.02 0.00 0.00 177.57 176.12 1put h SER 29 N 0.92 0.00 0.00 0.57 0.87 -1.61 -3.30 113.55 111.00 1put h SER 29 Ca 0.36 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1put h SER 29 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1put h SER 29 CO -0.17 0.92 0.33 0.78 -0.53 0.00 0.00 176.83 178.15 1put h ASN 30 N -1.00 0.00 0.00 6.23 2.35 -1.40 -3.44 115.58 118.32 1put h ASN 30 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1put h ASN 30 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1put h ASN 30 CO -0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.34 1put n GLY 31 N -1.24 0.47 0.06 2.83 0.00 0.85 -4.92 105.19 103.24 1put n GLY 31 Ca -0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.20 0.72 -0.23 -0.61 5.41 -0.02 -3.83 119.36 117.60 1put n ILE 32 Ca 0.00 -0.65 0.04 0.00 1.00 0.00 0.00 62.75 63.13 1put n ILE 32 Cb 0.16 -0.26 0.14 0.00 -0.71 0.00 0.00 39.64 38.98 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 0.08 -0.13 1.39 -0.00 -1.56 1.06 116.97 117.82 1put h TYR 33 Ca -0.29 0.05 -0.12 0.00 -0.00 0.00 0.00 58.73 58.37 1put h TYR 33 Cb 1.62 0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 38.41 1put h TYR 33 CO 0.00 -0.15 -0.44 0.22 -0.00 0.00 0.00 178.16 177.79 1put h ASP 34 N 0.17 0.31 0.00 0.10 3.58 -1.81 -2.03 116.42 116.75 1put h ASP 34 Ca 0.38 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1put h ASP 34 Cb 0.63 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1put h ASP 34 CO -0.55 0.71 0.11 0.40 -2.88 0.00 0.00 179.24 177.04 1put h ILE 35 N 0.24 0.00 -1.50 2.25 2.04 0.10 -3.41 117.51 117.24 1put h ILE 35 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1put h ILE 35 Cb 0.87 0.82 -0.28 0.00 -0.74 0.00 0.00 36.82 37.50 1put h ILE 35 CO 0.07 0.00 0.46 0.68 0.00 0.00 0.00 178.15 179.36 1put s VAL 36 N -4.04 0.00 0.00 1.67 -7.23 -0.49 -5.04 120.40 105.27 1put s VAL 36 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1put s VAL 36 Cb 0.11 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1put s VAL 36 CO 0.34 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1put n GLY 37 N 3.07 3.12 0.00 2.32 0.00 -1.24 -4.54 105.19 107.92 1put n GLY 37 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.31 1.61 9.92 -1.26 -4.72 116.55 121.79 1put n ASP 38 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 1put n ASP 38 Cb 0.00 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 40.75 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 -1.33 1.43 0.00 0.00 0.00 -1.26 -4.09 105.19 99.94 1put n GLY 40 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.46 3.56 -0.02 0.00 -1.26 -4.36 105.19 102.64 1put n GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1put n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1put n SER 42 N -0.64 1.69 -4.55 1.61 3.41 -1.26 -4.83 113.62 109.06 1put n SER 42 Ca 0.00 -1.64 -0.35 0.00 -0.26 0.00 0.00 58.87 56.62 1put n SER 42 Cb 0.00 -1.66 -0.03 0.00 -0.26 0.00 0.00 64.21 62.25 1put n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1put s ALA 43 N 15.13 1.60 0.00 7.33 0.00 -1.26 -4.47 121.76 140.08 1put s ALA 43 Ca 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1put s ALA 43 Cb -0.13 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1put s ALA 43 CO 0.10 -4.52 0.60 0.43 0.00 0.00 0.00 175.76 172.38 1put n SER 44 N 16.00 -0.21 0.00 0.00 7.64 -1.26 -4.95 113.62 130.85 1put n SER 44 Ca 0.37 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1put n SER 44 Cb 0.55 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 1.28 0.18 0.00 0.00 -1.26 -4.20 120.51 113.50 1put n ALA 46 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.11 1put n ALA 46 Cb 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 19.45 19.52 1put n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1put h THR 47 N 3.90 0.62 -0.42 0.00 1.35 -1.89 -3.26 112.91 113.21 1put h THR 47 Ca 0.00 -1.71 -0.27 0.00 -0.55 0.00 0.00 66.41 63.88 1put h THR 47 Cb 1.07 2.18 -0.11 0.00 -1.73 0.00 0.00 68.15 69.56 1put h THR 47 CO 0.00 0.33 0.24 0.00 -0.25 0.00 0.00 175.52 175.84 1put n HIS 49 N 0.91 2.86 -3.20 0.00 -0.00 -1.23 -3.44 115.22 111.12 1put n HIS 49 Ca 0.28 -2.75 -0.34 0.00 -0.00 0.00 0.00 57.72 54.91 1put n HIS 49 Cb 0.59 -2.35 -0.06 0.00 -0.00 0.00 0.00 29.99 28.18 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 3.27 4.71 -0.40 3.57 -7.23 -1.20 -1.56 120.40 121.56 1put s VAL 50 Ca 0.53 0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 61.57 1put s VAL 50 Cb 0.15 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.45 1put s VAL 50 CO -0.05 0.00 0.22 -0.31 -0.31 0.00 0.00 175.10 174.66 1put s TYR 51 N -1.75 3.32 0.51 2.82 1.51 -0.65 -2.60 117.35 120.51 1put s TYR 51 Ca 0.48 -1.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.03 1put s TYR 51 Cb -0.13 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 1put s TYR 51 CO 0.19 -0.81 0.78 0.08 -1.11 0.00 0.00 175.55 174.68 1put s VAL 52 N 1.42 3.88 0.61 0.71 1.01 -1.13 0.12 120.40 127.02 1put s VAL 52 Ca 0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1put s VAL 52 Cb -0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1put s VAL 52 CO 0.03 -0.41 1.13 0.21 0.00 0.00 0.00 175.10 176.06 1put s ASN 53 N -4.25 5.32 0.00 3.32 3.84 0.06 -4.88 114.94 118.35 1put s ASN 53 Ca 0.51 2.12 0.07 0.00 0.21 0.00 0.00 52.86 55.77 1put s ASN 53 Cb -0.10 -2.57 0.41 0.00 -0.55 0.00 0.00 41.25 38.44 1put s ASN 53 CO 0.41 -1.49 1.15 -1.84 -2.79 0.00 0.00 177.10 172.54 1put n GLU 54 N -1.90 0.86 -0.00 0.43 0.00 -1.26 -2.75 120.64 116.02 1put n GLU 54 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.32 1put n GLU 54 Cb 0.51 -1.13 -0.06 0.00 0.00 0.00 0.00 31.44 30.76 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 -0.63 3.10 0.01 -1.84 0.00 -1.26 -4.56 120.51 115.34 1put n ALA 55 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1put n ALA 55 Cb 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.40 0.00 0.41 0.00 3.01 -1.15 -4.40 117.46 113.93 1put n PHE 56 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 1put n PHE 56 Cb 0.19 -0.21 0.38 0.00 -0.01 0.00 0.00 39.48 39.83 1put n PHE 56 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1put n THR 57 N -1.81 1.00 0.02 4.37 -2.24 -1.11 -2.35 114.28 112.15 1put n THR 57 Ca -0.02 0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.86 1put n THR 57 Cb 0.24 -1.14 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 1put n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1put h ASP 58 N 0.00 0.38 0.30 3.42 3.32 -1.83 -3.35 116.42 118.66 1put h ASP 58 Ca 0.00 -0.76 -0.14 0.00 0.02 0.00 0.00 57.03 56.15 1put h ASP 58 Cb 0.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1put h ASP 58 CO 0.00 1.67 -0.57 0.11 -1.72 0.00 0.00 179.24 178.73 1put h LYS 59 N 0.07 0.28 -6.72 3.56 6.56 -1.72 -3.45 116.57 115.15 1put h LYS 59 Ca -0.37 -0.18 -0.50 0.00 -1.06 0.00 0.00 60.65 58.54 1put h LYS 59 Cb 2.04 0.02 0.22 0.00 -0.57 0.00 0.00 32.23 33.95 1put h LYS 59 CO 0.11 0.77 -0.84 1.33 -2.06 0.00 0.00 179.45 178.76 1put n VAL 60 N -3.90 0.00 0.00 0.50 0.24 -0.99 -4.95 118.33 109.22 1put n VAL 60 Ca -0.02 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1put n VAL 60 Cb 0.60 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1put n VAL 60 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1put n PRO 61 N -1.74 -0.22 -2.73 7.34 -0.02 -1.26 -4.89 135.00 131.48 1put n PRO 61 Ca 0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 1put n PRO 61 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.05 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 -2.67 5.40 -1.36 3.55 0.00 -1.26 -4.99 120.51 119.18 1put n ALA 62 Ca 0.00 -4.61 -0.53 0.00 0.00 0.00 0.00 53.44 48.30 1put n ALA 62 Cb 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.20 0.46 -1.00 0.00 0.00 -1.26 -4.88 120.51 113.63 1put n ALA 63 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1put n ALA 63 Cb 0.34 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 9.04 -0.16 -0.01 0.00 3.02 -1.26 -4.92 115.26 120.98 1put n ASN 64 Ca 0.53 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.19 1put n ASN 64 Cb 0.06 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.16 0.47 -0.17 3.52 2.13 -1.26 -4.30 120.64 120.87 1put n GLU 65 Ca 0.00 -0.14 -0.12 0.00 0.66 0.00 0.00 57.16 57.56 1put n GLU 65 Cb 0.00 -1.51 -0.09 0.00 0.27 0.00 0.00 31.44 30.11 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 -0.28 0.00 5.31 3.08 -2.00 0.63 114.38 121.12 1put h ARG 66 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1put h ARG 66 Cb 0.84 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1put h ARG 66 CO 0.00 -0.19 -0.12 0.93 -1.07 0.00 0.00 179.97 179.52 1put h GLU 67 N -0.29 0.00 -0.15 0.04 5.08 -1.93 -2.32 114.58 115.02 1put h GLU 67 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1put h GLU 67 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1put h GLU 67 CO -0.59 0.12 -0.10 0.82 -1.00 0.00 0.00 179.01 178.27 1put h ILE 68 N 0.00 1.16 -0.32 3.13 1.08 0.01 -2.77 117.51 119.79 1put h ILE 68 Ca -0.00 -0.67 0.07 0.00 -0.39 0.00 0.00 64.86 63.86 1put h ILE 68 Cb 0.44 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 1put h ILE 68 CO 0.02 0.21 -0.13 1.23 -0.69 0.00 0.00 178.15 178.79 1put h GLY 69 N 0.66 0.16 2.00 5.37 0.00 -0.51 0.56 103.07 111.30 1put h GLY 69 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1put h GLY 69 CO 0.02 -0.15 -0.11 -0.33 0.00 0.00 0.00 176.54 175.96 1put h MET 70 N -0.07 0.00 0.00 4.80 2.86 -1.66 -1.14 114.93 119.73 1put h MET 70 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1put h MET 70 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1put h MET 70 CO -0.37 0.11 -0.41 -0.11 1.06 0.00 0.00 176.91 177.20 1put n LEU 71 N -3.50 0.42 0.07 1.22 7.94 0.85 -3.78 117.00 120.22 1put n LEU 71 Ca -0.01 0.13 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1put n LEU 71 Cb 0.26 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.86 1put n LEU 71 CO 0.29 0.08 0.17 -0.08 -1.11 0.00 0.00 177.39 176.74 1put h GLU 72 N 0.00 0.39 -1.51 1.96 4.81 0.12 -3.24 114.58 117.11 1put h GLU 72 Ca 0.00 -0.44 -0.73 0.00 -0.13 0.00 0.00 59.36 58.07 1put h GLU 72 Cb 0.52 0.13 -0.28 0.00 0.63 0.00 0.00 28.75 29.75 1put h GLU 72 CO 0.00 1.11 0.98 0.00 -0.73 0.00 0.00 179.01 180.36 1put s VAL 74 N -4.95 2.10 0.07 0.00 -7.23 -1.23 -4.89 120.40 104.27 1put s VAL 74 Ca 0.58 -0.11 0.24 0.00 -1.81 0.00 0.00 61.98 60.89 1put s VAL 74 Cb 0.47 -2.99 0.24 0.00 0.56 0.00 0.00 36.38 34.67 1put s VAL 74 CO -0.22 0.00 1.71 0.00 -0.31 0.00 0.00 175.10 176.28 1put h THR 75 N -0.95 0.00 -0.97 5.32 1.03 -1.94 -3.42 112.91 111.98 1put h THR 75 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1put h THR 75 Cb 1.31 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1put h THR 75 CO 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.11 1put n ALA 76 N -1.78 0.00 -2.61 0.00 0.00 -1.26 -4.90 120.51 109.96 1put n ALA 76 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1put n ALA 76 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 1.88 2.21 -0.17 0.00 1.03 -1.26 -4.89 118.70 117.49 1put s GLU 77 Ca 0.00 -1.13 -0.03 0.00 0.03 0.00 0.00 54.97 53.84 1put s GLU 77 Cb 0.00 -2.28 -0.02 0.00 -0.80 0.00 0.00 34.13 31.03 1put s GLU 77 CO 0.00 0.47 -0.06 -1.17 -1.33 0.00 0.00 175.26 173.16 1put s LEU 78 N -2.67 3.00 0.41 1.83 0.20 -1.26 -5.05 118.68 115.15 1put s LEU 78 Ca 0.25 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.87 1put s LEU 78 Cb -0.10 -1.72 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 1put s LEU 78 CO 0.16 0.12 0.57 -0.54 -0.29 0.00 0.00 176.35 176.37 1put s LYS 79 N 0.65 2.92 0.00 1.98 3.01 -1.26 -4.96 119.74 122.08 1put s LYS 79 Ca -0.04 -1.04 0.00 0.00 -1.01 0.00 0.00 55.97 53.88 1put s LYS 79 Cb -0.15 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 1put s LYS 79 CO 0.02 -0.21 0.99 -0.35 0.51 0.00 0.00 175.35 176.32 1put n PRO 80 N -1.86 0.00 -0.12 -1.68 -0.04 -1.26 -1.54 135.00 128.50 1put n PRO 80 Ca 0.05 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 1put n PRO 80 Cb 0.59 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.49 2.77 -4.89 3.54 5.15 -1.26 -4.99 115.26 114.08 1put n ASN 81 Ca 0.00 -1.82 -0.29 0.00 -0.60 0.00 0.00 54.58 51.88 1put n ASN 81 Cb 0.00 -0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.07 1put n ASN 81 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1put s SER 82 N -1.14 6.44 0.07 1.20 0.01 -0.59 -2.83 113.70 116.86 1put s SER 82 Ca 0.25 0.94 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1put s SER 82 Cb 0.15 -2.24 0.08 0.00 0.21 0.00 0.00 66.02 64.22 1put s SER 82 CO 0.20 -0.37 0.70 -0.60 0.41 0.00 0.00 173.24 173.59 1put s ARG 83 N -3.95 1.10 -0.56 12.44 3.52 -1.07 -4.94 118.95 125.49 1put s ARG 83 Ca 0.48 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.50 1put s ARG 83 Cb -0.10 0.51 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1put s ARG 83 CO 0.34 -0.46 1.26 -0.51 -0.81 0.00 0.00 175.30 175.11 1put s LEU 84 N -2.38 3.45 0.64 -0.88 1.02 -1.26 -3.27 118.68 116.00 1put s LEU 84 Ca 0.00 0.21 0.23 0.00 0.02 0.00 0.00 54.13 54.59 1put s LEU 84 Cb -0.01 -3.18 1.17 0.00 0.02 0.00 0.00 46.19 44.19 1put s LEU 84 CO -0.08 -1.52 1.65 0.00 0.02 0.00 0.00 176.35 176.41 1put n GLN 87 N -3.64 1.96 -3.76 0.00 -0.06 0.12 -4.86 117.38 107.14 1put n GLN 87 Ca -0.17 -1.74 -0.13 0.00 -2.00 0.00 0.00 57.00 52.96 1put n GLN 87 Cb 1.08 -1.76 -0.09 0.00 -4.06 0.00 0.00 30.24 25.41 1put n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1put s ILE 88 N -2.17 0.04 0.37 1.69 1.01 -1.22 -4.84 121.20 116.08 1put s ILE 88 Ca 0.39 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1put s ILE 88 Cb 0.28 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 1put s ILE 88 CO -0.06 -0.18 0.08 -0.63 0.00 0.00 0.00 174.94 174.15 1put s ILE 89 N -0.83 2.51 -0.34 2.92 -1.09 -1.26 -3.78 121.20 119.33 1put s ILE 89 Ca -0.09 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.48 1put s ILE 89 Cb -0.04 -2.90 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 1put s ILE 89 CO 0.03 -0.12 0.13 -0.32 -1.23 0.00 0.00 174.94 173.43 1put s MET 90 N -3.79 0.93 0.65 2.79 -2.45 -0.53 -4.81 119.30 112.09 1put s MET 90 Ca 0.37 -1.38 -0.02 0.00 -1.25 0.00 0.00 55.69 53.41 1put s MET 90 Cb 0.02 -2.20 0.07 0.00 1.25 0.00 0.00 34.83 33.97 1put s MET 90 CO 0.21 -1.02 0.92 0.95 1.05 0.00 0.00 175.02 177.12 1put s THR 91 N 1.24 2.40 -0.83 10.11 -4.23 -1.26 -3.93 115.64 119.14 1put s THR 91 Ca 0.12 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 1put s THR 91 Cb -0.19 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.81 1put s THR 91 CO -0.17 0.00 1.17 -2.65 -0.54 0.00 0.00 174.62 172.43 1put n PRO 92 N -2.69 0.03 0.03 3.99 -0.02 -1.26 -2.44 135.00 132.64 1put n PRO 92 Ca 0.10 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1put n PRO 92 Cb 0.60 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.09 -6.35 -0.52 5.08 -2.00 -3.42 114.58 107.28 1put h GLU 93 Ca 0.00 0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.82 1put h GLU 93 Cb 0.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1put h GLU 93 CO 0.00 0.31 0.52 -0.51 -1.00 0.00 0.00 179.01 178.33 1put s LEU 94 N -9.38 4.31 -0.07 1.33 1.02 -1.02 -5.03 118.68 109.84 1put s LEU 94 Ca -0.15 1.68 0.01 0.00 0.02 0.00 0.00 54.13 55.69 1put s LEU 94 Cb 0.02 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.69 1put s LEU 94 CO 0.64 -0.41 -0.06 1.51 0.02 0.00 0.00 176.35 178.04 1put s ASP 95 N 1.13 1.47 -0.14 2.29 1.47 -1.26 -4.19 116.67 117.44 1put s ASP 95 Ca 0.52 -0.19 -0.00 0.00 1.18 0.00 0.00 52.55 54.05 1put s ASP 95 Cb -0.22 -0.61 0.00 0.00 -0.34 0.00 0.00 42.92 41.75 1put s ASP 95 CO 0.23 -0.07 0.06 0.61 0.68 0.00 0.00 175.17 176.68 1put n GLY 96 N 4.32 0.57 3.73 2.12 0.00 -0.90 -4.72 105.19 110.32 1put n GLY 96 Ca -0.19 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.59 3.51 -0.37 -0.61 1.10 -1.12 -4.89 121.20 116.22 1put s ILE 97 Ca 0.03 1.19 -0.09 0.00 -0.51 0.00 0.00 60.65 61.27 1put s ILE 97 Cb -0.01 -3.76 0.05 0.00 0.15 0.00 0.00 42.46 38.88 1put s ILE 97 CO 0.03 0.16 0.18 -0.69 -2.11 0.00 0.00 174.94 172.51 1put s VAL 98 N 0.36 4.18 0.14 4.00 1.01 -1.26 -1.74 120.40 127.09 1put s VAL 98 Ca 0.57 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1put s VAL 98 Cb -0.34 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1put s VAL 98 CO 0.35 -0.30 0.30 0.68 0.00 0.00 0.00 175.10 176.13 1put s VAL 99 N 1.46 5.31 0.39 2.92 -7.23 -0.64 -0.76 120.40 121.85 1put s VAL 99 Ca 0.01 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 1put s VAL 99 Cb -0.20 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 1put s VAL 99 CO 0.04 -0.05 0.07 -1.81 -0.31 0.00 0.00 175.10 173.03 1put s ASP 100 N -3.03 2.96 0.04 4.85 1.11 0.33 0.50 116.67 123.43 1put s ASP 100 Ca 0.36 -1.52 0.03 0.00 0.18 0.00 0.00 52.55 51.59 1put s ASP 100 Cb -0.11 0.18 -0.04 0.00 1.07 0.00 0.00 42.92 44.02 1put s ASP 100 CO 0.28 -0.74 0.02 -0.69 1.18 0.00 0.00 175.17 175.22 1put s VAL 101 N -3.14 4.20 0.14 -1.27 1.01 0.54 -1.64 120.40 120.25 1put s VAL 101 Ca 0.27 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1put s VAL 101 Cb 0.06 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1put s VAL 101 CO 0.13 0.26 0.07 -2.65 0.00 0.00 0.00 175.10 172.92 1put n PRO 102 N 1.00 -1.00 0.03 2.72 -0.02 -0.60 -4.27 135.00 132.86 1put n PRO 102 Ca -0.12 -0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.22 1put n PRO 102 Cb 0.52 -0.20 -0.09 0.00 -0.02 0.00 0.00 33.50 33.71 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 -1.87 0.00 -0.76 2.55 3.32 -1.96 -3.38 116.42 114.32 1put h ASP 103 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1put h ASP 103 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1put h ASP 103 CO 0.02 0.67 0.00 -1.14 -1.72 0.00 0.00 179.24 177.07 1put n ARG 104 N -2.95 3.83 -0.78 3.56 3.00 -1.26 -4.98 116.66 117.09 1put n ARG 104 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.73 1put n ARG 104 Cb 0.88 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.32 1put n ARG 104 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1put n GLN 105 N 0.00 0.00 -0.04 -0.14 7.27 -1.26 -5.01 117.38 118.19 1put n GLN 105 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 57.00 56.38 1put n GLN 105 Cb 0.00 0.09 0.00 0.00 2.41 0.00 0.00 30.24 32.74 1put n GLN 105 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04