#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 0.69 -0.24 4.33 2.20 -1.26 -4.76 119.74 120.70 1put s LYS 2 Ca 0.00 -1.24 -0.14 0.00 -0.36 0.00 0.00 55.97 54.23 1put s LYS 2 Cb 0.00 0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.42 1put s LYS 2 CO 0.00 -0.07 0.60 0.08 -0.36 0.00 0.00 175.35 175.60 1put s VAL 3 N -3.68 -0.01 -0.00 4.02 1.01 -0.33 -0.76 120.40 120.66 1put s VAL 3 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1put s VAL 3 Cb 0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1put s VAL 3 CO -0.07 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 1put s VAL 4 N 1.50 1.14 0.21 2.92 1.01 -0.74 -0.40 120.40 126.03 1put s VAL 4 Ca -0.09 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1put s VAL 4 Cb -0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1put s VAL 4 CO -0.17 0.27 0.07 -0.31 0.00 0.00 0.00 175.10 174.96 1put s TYR 5 N -0.42 2.93 -0.03 5.22 1.51 -0.29 -1.46 117.35 124.80 1put s TYR 5 Ca 0.05 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1put s TYR 5 Cb -0.06 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1put s TYR 5 CO -0.00 0.54 -0.07 0.08 -1.11 0.00 0.00 175.55 174.99 1put s VAL 6 N -1.94 0.66 0.76 0.71 1.01 0.23 -0.74 120.40 121.10 1put s VAL 6 Ca 0.30 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1put s VAL 6 Cb -0.09 -0.63 0.18 0.00 0.00 0.00 0.00 36.38 35.84 1put s VAL 6 CO 0.21 0.23 0.98 -1.20 0.00 0.00 0.00 175.10 175.33 1put n SER 7 N 3.64 -0.13 -4.26 3.32 7.64 -0.41 0.26 113.62 123.68 1put n SER 7 Ca -0.22 -1.32 -0.34 0.00 1.01 0.00 0.00 58.87 58.00 1put n SER 7 Cb 0.53 -0.77 0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1put n SER 7 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1put n HIS 8 N -3.48 -2.26 -0.73 1.43 -0.00 -1.25 -3.78 115.22 105.15 1put n HIS 8 Ca 0.12 0.19 -0.11 0.00 -0.00 0.00 0.00 57.72 57.92 1put n HIS 8 Cb 0.44 -1.62 -0.11 0.00 -0.00 0.00 0.00 29.99 28.69 1put n HIS 8 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1put n ASP 9 N 0.06 -0.66 0.00 0.41 -0.08 -1.26 -4.18 116.55 110.84 1put n ASP 9 Ca 0.03 -0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 1put n ASP 9 Cb 0.58 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.77 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 2.72 -1.21 2.14 0.27 0.00 -1.26 -5.17 105.19 102.68 1put n GLY 10 Ca 0.33 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.81 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 -3.66 2.61 -1.04 -1.26 -4.99 114.28 105.94 1put n THR 11 Ca 0.00 -1.47 -0.14 0.00 -2.04 0.00 0.00 64.05 60.40 1put n THR 11 Cb 0.00 0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 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 -3.04 0.73 0.50 -2.82 1.70 -1.26 -1.29 118.95 113.47 1put s ARG 12 Ca 0.06 0.76 0.09 0.00 -0.47 0.00 0.00 55.73 56.17 1put s ARG 12 Cb 0.00 0.35 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 1put s ARG 12 CO 0.05 -0.11 0.68 -0.98 -1.08 0.00 0.00 175.30 173.86 1put s ARG 13 N 0.15 2.54 0.20 3.89 1.70 0.09 -4.88 118.95 122.63 1put s ARG 13 Ca -0.01 -1.47 0.05 0.00 -0.47 0.00 0.00 55.73 53.82 1put s ARG 13 Cb -0.04 -2.68 -0.05 0.00 -0.57 0.00 0.00 34.95 31.62 1put s ARG 13 CO 0.02 -0.58 -0.06 1.14 -1.08 0.00 0.00 175.30 174.74 1put s GLN 14 N -4.51 1.25 0.00 3.89 0.00 -1.26 -1.14 119.66 117.90 1put s GLN 14 Ca 0.58 -1.59 -0.18 0.00 -0.00 0.00 0.00 55.36 54.16 1put s GLN 14 Cb -0.07 -0.72 0.06 0.00 0.00 0.00 0.00 33.01 32.28 1put s GLN 14 CO 0.36 0.01 0.82 1.47 0.00 0.00 0.00 175.29 177.95 1put n LEU 15 N -0.35 0.00 -3.64 2.60 -0.00 0.46 -4.94 117.00 111.13 1put n LEU 15 Ca -0.07 -0.35 -0.29 0.00 -0.00 0.00 0.00 56.01 55.29 1put n LEU 15 Cb 0.62 1.30 -0.12 0.00 -0.00 0.00 0.00 43.42 45.22 1put n LEU 15 CO 0.35 -0.12 -0.26 -0.62 -0.00 0.00 0.00 177.39 176.75 1put s ASP 16 N -2.84 3.38 0.48 1.45 -1.08 -1.26 -1.18 116.67 115.63 1put s ASP 16 Ca 0.19 -2.63 -0.22 0.00 -0.52 0.00 0.00 52.55 49.37 1put s ASP 16 Cb -0.01 -0.88 -0.08 0.00 -1.46 0.00 0.00 42.92 40.49 1put s ASP 16 CO 0.00 -0.26 1.03 0.52 0.52 0.00 0.00 175.17 176.99 1put n VAL 17 N 3.51 2.88 -2.27 1.11 0.31 -1.26 -4.96 118.33 117.65 1put n VAL 17 Ca 0.12 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.69 1put n VAL 17 Cb 0.36 -1.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 -1.35 3.17 -0.10 3.52 0.00 -1.26 -4.84 121.76 120.89 1put s ALA 18 Ca 0.67 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1put s ALA 18 Cb -0.50 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1put s ALA 18 CO 0.54 -1.49 0.97 -0.51 0.00 0.00 0.00 175.76 175.27 1put s ASP 19 N -4.62 7.20 0.00 0.00 1.01 -1.26 -3.18 116.67 115.83 1put s ASP 19 Ca 0.64 1.48 0.00 0.00 0.71 0.00 0.00 52.55 55.37 1put s ASP 19 Cb -0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1put s ASP 19 CO 0.46 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1put n GLY 20 N 3.13 0.83 3.58 0.21 0.00 -1.24 -5.02 105.19 106.68 1put n GLY 20 Ca 0.07 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 2.67 -0.16 1.61 1.01 -1.19 -4.99 120.40 117.35 1put s VAL 21 Ca 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 61.98 59.79 1put s VAL 21 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1put s VAL 21 CO 0.00 -0.28 0.12 -0.44 0.00 0.00 0.00 175.10 174.50 1put s SER 22 N -3.64 6.20 0.60 3.32 0.01 -1.26 -1.28 113.70 117.64 1put s SER 22 Ca 0.33 0.32 0.28 0.00 1.31 0.00 0.00 55.95 58.19 1put s SER 22 Cb -0.02 -2.04 1.22 0.00 0.21 0.00 0.00 66.02 65.39 1put s SER 22 CO 0.18 0.29 1.62 -0.07 0.41 0.00 0.00 173.24 175.67 1put h LEU 23 N 5.85 0.00 -0.03 2.44 -0.00 -1.74 0.94 115.31 122.76 1put h LEU 23 Ca -0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.33 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 0.67 0.00 -0.29 -0.03 -0.00 0.00 0.00 178.44 178.78 1put h MET 24 N 0.00 0.25 -0.12 1.13 4.05 -1.82 -2.47 114.93 115.95 1put h MET 24 Ca 0.33 -0.23 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1put h MET 24 Cb 1.98 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.77 1put h MET 24 CO -0.00 0.91 -0.28 1.96 0.23 0.00 0.00 176.91 179.72 1put h GLN 25 N -0.32 -0.35 -0.25 0.39 1.08 0.56 0.43 115.11 116.65 1put h GLN 25 Ca -0.03 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 1put h GLN 25 Cb 0.99 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1put h GLN 25 CO 0.06 -0.23 0.19 0.00 -0.95 0.00 0.00 178.83 177.90 1put h ALA 26 N 0.52 2.16 -0.21 3.87 0.00 -1.47 0.14 119.26 124.27 1put h ALA 26 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1put h ALA 26 Cb 0.51 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1put h ALA 26 CO -0.33 -0.32 -0.31 0.00 0.00 0.00 0.00 179.25 178.29 1put h ALA 27 N 1.85 1.08 -0.97 0.00 0.00 0.28 -1.90 119.26 119.59 1put h ALA 27 Ca 0.12 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1put h ALA 27 Cb 0.51 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1put h ALA 27 CO -0.00 0.57 0.59 0.28 0.00 0.00 0.00 179.25 180.69 1put h VAL 28 N 0.37 0.80 0.03 0.00 2.07 0.81 0.74 116.25 121.07 1put h VAL 28 Ca 0.05 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1put h VAL 28 Cb 0.73 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1put h VAL 28 CO 0.06 0.15 -0.17 -1.28 0.02 0.00 0.00 177.57 176.35 1put h SER 29 N 0.83 0.10 0.17 0.57 0.87 -1.54 -3.20 113.55 111.36 1put h SER 29 Ca 0.52 -0.99 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1put h SER 29 Cb 0.69 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1put h SER 29 CO -0.33 1.08 0.00 0.59 -0.53 0.00 0.00 176.83 177.64 1put n ASN 30 N -4.51 0.00 -0.48 6.23 3.02 -0.74 -4.79 115.26 113.99 1put n ASN 30 Ca -0.11 0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.58 1put n ASN 30 Cb 0.55 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1put n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1put n GLY 31 N -0.57 0.85 0.08 7.41 0.00 0.24 -4.86 105.19 108.34 1put n GLY 31 Ca 0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.72 1.15 -0.28 -0.61 5.41 0.10 -3.54 119.36 118.87 1put n ILE 32 Ca -0.06 -0.74 0.10 0.00 1.00 0.00 0.00 62.75 63.04 1put n ILE 32 Cb 0.26 -0.56 0.24 0.00 -0.71 0.00 0.00 39.64 38.87 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 0.30 0.00 1.39 -0.00 -1.64 1.08 116.97 118.11 1put h TYR 33 Ca -0.31 0.05 -0.16 0.00 -0.00 0.00 0.00 58.73 58.30 1put h TYR 33 Cb 1.82 -0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.52 1put h TYR 33 CO 0.00 -0.16 -0.78 0.22 -0.00 0.00 0.00 178.16 177.44 1put h ASP 34 N 0.23 0.00 0.24 0.10 1.82 -1.82 2.18 116.42 119.17 1put h ASP 34 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1put h ASP 34 Cb 0.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1put h ASP 34 CO -0.60 0.78 0.00 -0.38 -1.61 0.00 0.00 179.24 177.43 1put n ILE 35 N -3.47 1.51 0.04 2.25 2.08 0.36 -4.43 119.36 117.70 1put n ILE 35 Ca -0.00 0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1put n ILE 35 Cb 0.79 -1.26 0.00 0.00 -0.75 0.00 0.00 39.64 38.42 1put n ILE 35 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1put n VAL 36 N -1.50 0.00 -0.93 1.39 3.14 -0.35 -4.99 118.33 115.08 1put n VAL 36 Ca 0.02 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.03 1put n VAL 36 Cb 0.08 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 32.93 1put n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1put n GLY 37 N -1.50 -3.32 0.00 7.55 0.00 0.73 -3.76 105.19 104.90 1put n GLY 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 2.30 0.00 0.00 1.61 2.03 -1.26 -4.63 116.55 116.60 1put n ASP 38 Ca -0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.34 1put n ASP 38 Cb 0.66 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.24 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 -0.66 -1.85 0.57 0.00 0.00 -1.26 -4.03 105.19 97.96 1put n GLY 40 Ca 0.02 -1.71 0.36 0.00 0.00 0.00 0.00 46.02 44.69 1put n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1put h GLY 41 N 0.00 0.00 -1.33 -0.02 0.00 -1.93 -3.40 103.07 96.38 1put h GLY 41 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1put h GLY 41 CO 0.00 0.00 0.20 1.44 0.00 0.00 0.00 176.54 178.18 1put n SER 42 N -3.57 0.31 -3.55 0.19 7.64 -1.26 -4.64 113.62 108.74 1put n SER 42 Ca 0.28 0.43 -0.27 0.00 1.01 0.00 0.00 58.87 60.33 1put n SER 42 Cb 1.57 -1.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.21 1put n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1put n ALA 43 N -4.14 3.52 -0.37 -0.43 0.00 -1.26 -4.78 120.51 113.05 1put n ALA 43 Ca 0.12 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1put n ALA 43 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1put n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1put n SER 44 N 1.49 0.40 -1.80 0.00 7.64 -1.26 -5.00 113.62 115.09 1put n SER 44 Ca 0.25 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1put n SER 44 Cb 0.41 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.14 0.26 0.00 0.00 -1.26 -4.63 120.51 113.02 1put n ALA 46 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 53.44 53.07 1put n ALA 46 Cb 0.00 -0.07 0.58 0.00 0.00 0.00 0.00 19.45 19.96 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 3.55 0.14 -0.42 0.00 2.02 -1.89 -3.13 112.91 113.18 1put h THR 47 Ca 0.00 -0.72 -0.27 0.00 0.77 0.00 0.00 66.41 66.19 1put h THR 47 Cb 1.05 1.63 -0.11 0.00 -1.74 0.00 0.00 68.15 68.98 1put h THR 47 CO 0.00 0.06 0.25 0.00 0.37 0.00 0.00 175.52 176.20 1put n HIS 49 N 0.88 2.84 -2.88 0.00 -0.00 -1.18 -2.30 115.22 112.58 1put n HIS 49 Ca 0.28 -2.24 -0.36 0.00 0.46 0.00 0.00 57.72 55.85 1put n HIS 49 Cb 0.59 -2.21 -0.06 0.00 -0.12 0.00 0.00 29.99 28.18 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 5.22 4.34 -0.47 3.57 -7.23 -1.22 -1.53 120.40 123.09 1put s VAL 50 Ca 0.55 1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 62.25 1put s VAL 50 Cb 0.11 -3.90 0.12 0.00 0.56 0.00 0.00 36.38 33.27 1put s VAL 50 CO 0.05 0.08 0.34 -0.31 -0.31 0.00 0.00 175.10 174.95 1put s TYR 51 N -1.69 3.44 0.65 2.82 2.02 -0.47 -1.78 117.35 122.34 1put s TYR 51 Ca 0.50 -1.92 -0.02 0.00 -0.37 0.00 0.00 57.07 55.26 1put s TYR 51 Cb -0.16 -3.48 0.07 0.00 -0.40 0.00 0.00 41.96 37.98 1put s TYR 51 CO 0.21 -0.99 0.92 0.08 -1.57 0.00 0.00 175.55 174.20 1put s VAL 52 N 1.34 2.39 0.65 0.71 1.01 -1.23 0.84 120.40 126.12 1put s VAL 52 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1put s VAL 52 Cb -0.26 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1put s VAL 52 CO -0.01 0.00 1.04 0.20 0.00 0.00 0.00 175.10 176.33 1put s ASN 53 N -4.54 5.84 -0.00 3.32 -0.87 0.56 -4.78 114.94 114.47 1put s ASN 53 Ca 0.61 1.54 0.02 0.00 -1.57 0.00 0.00 52.86 53.46 1put s ASN 53 Cb -0.09 -2.49 0.07 0.00 -0.02 0.00 0.00 41.25 38.73 1put s ASN 53 CO 0.42 -1.13 0.99 -1.84 -2.57 0.00 0.00 177.10 172.97 1put n GLU 54 N -2.81 1.23 -0.05 -0.60 0.28 -1.26 -2.60 120.64 114.83 1put n GLU 54 Ca 0.07 -0.30 -0.05 0.00 -0.16 0.00 0.00 57.16 56.72 1put n GLU 54 Cb 0.54 -1.15 -0.08 0.00 1.43 0.00 0.00 31.44 32.18 1put n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1put n ALA 55 N -0.21 1.76 0.15 -1.84 0.00 -1.26 -4.59 120.51 114.53 1put n ALA 55 Ca 0.03 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.93 1put n ALA 55 Cb 0.12 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.36 0.04 0.25 0.00 3.01 -1.23 -4.07 117.46 113.11 1put n PHE 56 Ca -0.16 0.01 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1put n PHE 56 Cb 0.82 -0.44 0.51 0.00 -0.01 0.00 0.00 39.48 40.35 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 -2.16 1.01 0.02 4.37 -2.24 -1.07 -1.81 114.28 112.41 1put n THR 57 Ca -0.03 0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 62.10 1put n THR 57 Cb 0.53 -1.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.14 1put n THR 57 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1put h ASP 58 N 0.00 0.32 0.40 3.42 3.58 -1.83 -3.34 116.42 118.96 1put h ASP 58 Ca 0.00 -0.58 -0.16 0.00 0.42 0.00 0.00 57.03 56.71 1put h ASP 58 Cb 0.15 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1put h ASP 58 CO 0.00 1.50 -0.67 0.11 -2.88 0.00 0.00 179.24 177.31 1put h LYS 59 N 0.06 0.24 -6.99 0.28 6.56 -1.55 -3.45 116.57 111.72 1put h LYS 59 Ca -0.32 -0.19 -0.50 0.00 -1.06 0.00 0.00 60.65 58.58 1put h LYS 59 Cb 2.03 0.03 0.21 0.00 -0.57 0.00 0.00 32.23 33.93 1put h LYS 59 CO 0.12 0.82 -0.29 1.33 -2.06 0.00 0.00 179.45 179.37 1put n VAL 60 N -3.83 0.00 -0.57 0.50 0.24 -0.83 -4.93 118.33 108.91 1put n VAL 60 Ca -0.03 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 1put n VAL 60 Cb 0.66 -0.81 0.22 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.18 -1.76 -2.80 7.34 -0.02 -1.26 -4.94 135.00 128.38 1put n PRO 61 Ca 0.07 -0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 60.74 1put n PRO 61 Cb 0.54 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 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 -4.65 5.35 -0.96 3.55 0.00 -1.26 -5.02 120.51 117.52 1put n ALA 62 Ca 0.05 -4.66 -0.37 0.00 0.00 0.00 0.00 53.44 48.46 1put n ALA 62 Cb 0.55 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.13 -5.30 -2.57 0.00 0.00 -1.26 -4.97 120.51 106.28 1put n ALA 63 Ca 0.39 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1put n ALA 63 Cb 0.33 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 2.75 0.82 0.10 0.00 6.94 -1.26 -5.00 115.26 119.61 1put n ASN 64 Ca -0.01 -1.66 0.12 0.00 -0.02 0.00 0.00 54.58 53.00 1put n ASN 64 Cb 0.63 -0.32 0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1put n ASN 64 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1put h GLU 65 N 0.00 0.00 -0.19 -3.83 4.81 -1.98 -3.35 114.58 110.04 1put h GLU 65 Ca -0.17 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1put h GLU 65 Cb 0.66 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1put h GLU 65 CO 0.20 0.00 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.08 1put h ARG 66 N 0.00 -0.24 0.00 1.92 9.65 -2.02 0.39 114.38 124.09 1put h ARG 66 Ca 0.00 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1put h ARG 66 Cb 0.90 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1put h ARG 66 CO 0.00 -0.16 -0.04 0.93 2.80 0.00 0.00 179.97 183.51 1put h GLU 67 N -0.24 0.00 -0.11 0.20 5.08 -1.95 -2.07 114.58 115.49 1put h GLU 67 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1put h GLU 67 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1put h GLU 67 CO -0.30 0.04 -0.21 0.82 -1.00 0.00 0.00 179.01 178.35 1put h ILE 68 N 0.00 1.21 -0.58 3.13 1.08 -0.44 -2.99 117.51 118.92 1put h ILE 68 Ca -0.00 -0.95 0.09 0.00 -0.39 0.00 0.00 64.86 63.61 1put h ILE 68 Cb 0.31 1.35 -0.11 0.00 -3.07 0.00 0.00 36.82 35.30 1put h ILE 68 CO 0.00 0.29 -0.43 1.23 -0.69 0.00 0.00 178.15 178.55 1put h GLY 69 N 0.85 -0.44 2.00 5.37 0.00 -0.33 1.77 103.07 112.28 1put h GLY 69 Ca 0.03 0.56 -0.06 0.00 0.00 0.00 0.00 47.33 47.86 1put h GLY 69 CO 0.03 -0.16 -0.28 -0.33 0.00 0.00 0.00 176.54 175.80 1put h MET 70 N -0.23 0.00 -0.09 4.80 2.86 -1.73 -1.49 114.93 119.05 1put h MET 70 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1put h MET 70 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1put h MET 70 CO -0.69 0.28 0.00 1.28 1.06 0.00 0.00 176.91 178.84 1put n LEU 71 N -3.74 1.33 -0.00 1.22 4.77 0.23 -3.66 117.00 117.15 1put n LEU 71 Ca -0.01 -0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 1put n LEU 71 Cb 0.38 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1put n LEU 71 CO 0.35 0.26 -0.41 -0.08 -1.33 0.00 0.00 177.39 176.18 1put h GLU 72 N 1.87 0.02 -0.90 3.23 4.81 0.34 -3.32 114.58 120.63 1put h GLU 72 Ca 0.00 -0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 58.74 1put h GLU 72 Cb 0.41 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 29.52 1put h GLU 72 CO 0.00 0.63 0.54 0.00 -0.73 0.00 0.00 179.01 179.45 1put n VAL 74 N -1.13 0.00 1.20 0.00 0.24 -1.25 -4.76 118.33 112.64 1put n VAL 74 Ca 0.56 -0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.85 1put n VAL 74 Cb 1.58 -0.30 0.62 0.00 -1.47 0.00 0.00 33.84 34.26 1put n VAL 74 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1put n THR 75 N -3.96 0.20 -2.07 3.34 -1.04 -1.26 -4.79 114.28 104.70 1put n THR 75 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1put n THR 75 Cb 0.60 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -1.21 0.00 -2.65 2.41 0.00 -1.26 -4.86 120.51 112.93 1put n ALA 76 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 1put n ALA 76 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 1.93 2.34 0.10 0.00 1.03 -1.26 -4.99 118.70 117.85 1put s GLU 77 Ca 0.00 -1.23 0.05 0.00 0.03 0.00 0.00 54.97 53.82 1put s GLU 77 Cb 0.00 -2.27 -0.04 0.00 -0.80 0.00 0.00 34.13 31.02 1put s GLU 77 CO 0.00 0.42 -0.13 -1.17 -1.33 0.00 0.00 175.26 173.05 1put s LEU 78 N -3.21 2.38 0.19 1.83 0.20 -1.26 -4.95 118.68 113.85 1put s LEU 78 Ca 0.29 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.34 1put s LEU 78 Cb -0.08 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 1put s LEU 78 CO 0.19 -0.17 0.06 -0.54 -0.29 0.00 0.00 176.35 175.60 1put s LYS 79 N -2.52 1.15 0.49 1.98 -0.14 -1.26 -5.00 119.74 114.44 1put s LYS 79 Ca 0.06 -1.58 0.24 0.00 -1.36 0.00 0.00 55.97 53.33 1put s LYS 79 Cb -0.05 -0.05 1.33 0.00 -1.68 0.00 0.00 37.83 37.38 1put s LYS 79 CO 0.02 -0.24 1.72 -1.35 -0.76 0.00 0.00 175.35 174.73 1put h PRO 80 N 2.65 0.00 0.03 -1.68 0.11 -2.02 0.24 132.00 131.34 1put h PRO 80 Ca -0.37 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.48 1put h PRO 80 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1put h PRO 80 CO 0.60 0.00 -1.40 -0.97 -0.21 0.00 0.00 178.00 176.02 1put h ASN 81 N 0.00 0.11 -3.98 -2.05 -0.00 -1.95 -3.47 115.58 104.24 1put h ASN 81 Ca 0.00 -0.16 -0.49 0.00 -0.00 0.00 0.00 56.30 55.65 1put h ASN 81 Cb 0.46 -0.04 0.19 0.00 -0.00 0.00 0.00 38.32 38.94 1put h ASN 81 CO 0.00 1.13 0.17 -0.44 -0.00 0.00 0.00 177.43 178.29 1put s SER 82 N -6.57 2.48 0.00 1.15 0.01 0.07 -3.48 113.70 107.36 1put s SER 82 Ca -0.04 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.17 1put s SER 82 Cb 0.08 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1put s SER 82 CO 0.83 -3.34 0.00 0.54 0.41 0.00 0.00 173.24 171.68 1put n ARG 83 N -4.37 0.00 -3.87 12.44 5.12 -0.74 -4.89 116.66 120.35 1put n ARG 83 Ca 0.09 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.65 1put n ARG 83 Cb 0.53 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.69 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 3.17 0.64 0.55 1.02 -1.26 -3.40 118.68 119.39 1put s LEU 84 Ca 0.00 -0.48 0.42 0.00 0.02 0.00 0.00 54.13 54.10 1put s LEU 84 Cb 0.00 -1.78 2.28 0.00 0.02 0.00 0.00 46.19 46.71 1put s LEU 84 CO 0.00 -0.06 2.30 0.00 0.02 0.00 0.00 176.35 178.61 1put n GLN 87 N -1.13 0.00 -4.99 0.00 -0.06 -0.32 -4.37 117.38 106.51 1put n GLN 87 Ca 0.38 -0.40 -0.29 0.00 -2.00 0.00 0.00 57.00 54.69 1put n GLN 87 Cb 1.15 -0.42 -0.17 0.00 -4.06 0.00 0.00 30.24 26.74 1put n GLN 87 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1put s ILE 88 N 0.00 1.70 0.43 1.69 -4.36 -1.20 -4.72 121.20 114.74 1put s ILE 88 Ca 0.00 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1put s ILE 88 Cb 0.00 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1put s ILE 88 CO 0.00 0.48 0.61 -0.63 0.24 0.00 0.00 174.94 175.64 1put s ILE 89 N 0.34 3.66 -0.51 8.37 -1.09 -1.26 -2.58 121.20 128.13 1put s ILE 89 Ca -0.14 -0.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.56 1put s ILE 89 Cb -0.16 -3.31 0.13 0.00 -1.58 0.00 0.00 42.46 37.54 1put s ILE 89 CO 0.06 -0.17 0.25 -0.32 -1.23 0.00 0.00 174.94 173.53 1put s MET 90 N -4.44 1.90 0.60 2.79 1.75 -0.41 -4.75 119.30 116.74 1put s MET 90 Ca 0.50 -2.55 -0.04 0.00 -1.25 0.00 0.00 55.69 52.35 1put s MET 90 Cb -0.10 -3.23 0.03 0.00 2.84 0.00 0.00 34.83 34.37 1put s MET 90 CO 0.35 -1.11 0.89 0.95 -0.65 0.00 0.00 175.02 175.45 1put s THR 91 N -0.20 3.04 -0.53 10.11 -4.23 -1.26 -3.68 115.64 118.89 1put s THR 91 Ca 0.17 -0.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1put s THR 91 Cb -0.26 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.50 1put s THR 91 CO -0.00 -0.20 1.39 -2.65 -0.54 0.00 0.00 174.62 172.62 1put n PRO 92 N -2.59 0.08 -0.06 3.99 -0.02 -1.26 -2.07 135.00 133.08 1put n PRO 92 Ca 0.06 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1put n PRO 92 Cb 0.59 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.23 1put n PRO 92 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1put h GLU 93 N 0.00 0.39 -6.66 -0.52 4.11 -2.01 -3.43 114.58 106.46 1put h GLU 93 Ca 0.00 -0.21 -0.51 0.00 0.07 0.00 0.00 59.36 58.71 1put h GLU 93 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1put h GLU 93 CO 0.00 0.77 0.46 -0.51 0.07 0.00 0.00 179.01 179.80 1put s LEU 94 N -9.08 4.50 -0.04 3.06 1.02 -0.88 -5.03 118.68 112.22 1put s LEU 94 Ca -0.14 2.07 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 1put s LEU 94 Cb 0.06 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.69 1put s LEU 94 CO 0.76 -0.19 0.06 1.51 0.02 0.00 0.00 176.35 178.51 1put s ASP 95 N -0.17 1.17 -0.45 2.29 -4.77 -1.26 -4.24 116.67 109.25 1put s ASP 95 Ca 0.49 0.06 -0.01 0.00 -3.30 0.00 0.00 52.55 49.79 1put s ASP 95 Cb -0.29 -0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.39 1put s ASP 95 CO 0.35 -0.25 0.38 0.61 0.70 0.00 0.00 175.17 176.96 1put n GLY 96 N 5.29 0.23 3.79 2.12 0.00 0.06 -4.71 105.19 111.98 1put n GLY 96 Ca -0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.13 3.76 -0.32 -0.61 -5.25 -1.00 -4.88 121.20 109.78 1put s ILE 97 Ca 0.07 1.17 -0.00 0.00 -0.99 0.00 0.00 60.65 60.90 1put s ILE 97 Cb -0.03 -3.52 0.07 0.00 2.95 0.00 0.00 42.46 41.94 1put s ILE 97 CO 0.26 -0.16 0.03 -0.69 -1.79 0.00 0.00 174.94 172.59 1put s VAL 98 N -1.88 2.78 0.03 8.37 1.01 -1.26 -1.79 120.40 127.65 1put s VAL 98 Ca 0.64 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1put s VAL 98 Cb -0.18 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1put s VAL 98 CO 0.22 -0.29 0.08 0.68 0.00 0.00 0.00 175.10 175.79 1put s VAL 99 N 1.14 4.64 0.40 2.92 -7.23 -0.54 -0.32 120.40 121.41 1put s VAL 99 Ca -0.01 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1put s VAL 99 Cb -0.20 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 1put s VAL 99 CO -0.04 0.27 0.07 -1.81 -0.31 0.00 0.00 175.10 173.28 1put s ASP 100 N -1.98 3.00 0.02 4.85 1.11 0.25 0.78 116.67 124.70 1put s ASP 100 Ca 0.25 -1.53 0.02 0.00 0.18 0.00 0.00 52.55 51.48 1put s ASP 100 Cb -0.12 0.19 -0.04 0.00 1.07 0.00 0.00 42.92 44.03 1put s ASP 100 CO 0.17 -0.75 -0.00 -0.69 1.18 0.00 0.00 175.17 175.08 1put s VAL 101 N -3.13 4.08 1.03 -1.27 1.01 0.73 -1.37 120.40 121.50 1put s VAL 101 Ca 0.26 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1put s VAL 101 Cb 0.05 -2.84 0.17 0.00 0.00 0.00 0.00 36.38 33.76 1put s VAL 101 CO 0.13 0.32 0.30 -2.65 0.00 0.00 0.00 175.10 173.21 1put n PRO 102 N 1.23 -2.30 0.14 2.72 -0.02 -0.58 -3.81 135.00 132.38 1put n PRO 102 Ca -0.14 -0.68 0.06 0.00 -2.02 0.00 0.00 63.50 60.73 1put n PRO 102 Cb 0.52 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.55 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 -2.66 0.00 -0.72 2.55 3.32 -1.93 -3.36 116.42 113.62 1put h ASP 103 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1put h ASP 103 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1put h ASP 103 CO 0.17 0.29 0.00 -1.14 -1.72 0.00 0.00 179.24 176.84 1put n ARG 104 N -3.05 3.99 -0.77 3.56 3.00 -1.26 -4.99 116.66 117.14 1put n ARG 104 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1put n ARG 104 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.11 1put n ARG 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1put n GLN 105 N 0.00 0.00 -0.08 -0.14 6.02 -1.26 -5.00 117.38 116.92 1put n GLN 105 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 1put n GLN 105 Cb 0.00 0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.29 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96