#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 0.29 -0.07 4.33 2.20 -1.26 -4.61 119.74 120.62 1put s LYS 2 Ca 0.00 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1put s LYS 2 Cb 0.00 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1put s LYS 2 CO 0.00 -0.09 -0.04 0.08 -0.36 0.00 0.00 175.35 174.94 1put s VAL 3 N 0.64 0.64 -0.10 4.02 1.01 -0.68 -0.49 120.40 125.44 1put s VAL 3 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1put s VAL 3 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1put s VAL 3 CO -0.04 0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.44 1put s VAL 4 N 1.48 1.87 0.16 2.92 1.01 -1.08 -0.84 120.40 125.91 1put s VAL 4 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1put s VAL 4 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1put s VAL 4 CO -0.04 0.52 0.33 -0.31 0.00 0.00 0.00 175.10 175.60 1put s TYR 5 N 0.52 3.49 0.38 5.22 1.51 -0.66 -1.37 117.35 126.43 1put s TYR 5 Ca -0.15 0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 1put s TYR 5 Cb -0.17 -1.79 -0.07 0.00 -0.11 0.00 0.00 41.96 39.82 1put s TYR 5 CO 0.06 0.46 -0.00 0.08 -1.11 0.00 0.00 175.55 175.03 1put s VAL 6 N -1.77 1.90 0.27 0.71 1.01 0.15 -1.85 120.40 120.82 1put s VAL 6 Ca 0.37 -2.04 0.09 0.00 0.00 0.00 0.00 61.98 60.40 1put s VAL 6 Cb -0.11 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1put s VAL 6 CO 0.28 -0.05 -0.14 -0.55 0.00 0.00 0.00 175.10 174.64 1put s SER 7 N -3.65 3.16 0.00 3.32 0.15 0.97 -1.97 113.70 115.69 1put s SER 7 Ca 0.35 -1.08 0.07 0.00 0.70 0.00 0.00 55.95 55.98 1put s SER 7 Cb 0.08 -0.23 0.31 0.00 -1.71 0.00 0.00 66.02 64.47 1put s SER 7 CO 0.17 -0.12 1.15 0.00 1.20 0.00 0.00 173.24 175.64 1put n HIS 8 N -0.56 0.00 0.47 3.44 1.44 -1.26 -1.41 115.22 117.33 1put n HIS 8 Ca -0.06 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.70 1put n HIS 8 Cb 0.61 -0.41 0.01 0.00 0.12 0.00 0.00 29.99 30.33 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 -1.41 1.45 0.00 4.39 -0.08 -1.26 -4.98 116.55 114.66 1put n ASP 9 Ca 0.02 -1.22 0.00 0.00 -1.51 0.00 0.00 54.79 52.08 1put n ASP 9 Cb 0.07 0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.86 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 0.83 2.12 3.49 0.27 0.00 -0.50 -5.04 105.19 106.36 1put n GLY 10 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.40 0.22 -3.98 2.61 -1.04 -1.26 -4.41 114.28 106.01 1put n THR 11 Ca 0.00 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.05 61.53 1put n THR 11 Cb 0.00 -1.46 -0.16 0.00 -1.82 0.00 0.00 70.33 66.89 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 5.53 2.01 -0.20 -2.82 3.52 -1.26 -0.02 118.95 125.72 1put s ARG 12 Ca 1.07 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1put s ARG 12 Cb -0.96 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1put s ARG 12 CO 0.54 -0.34 -0.01 -0.98 -0.81 0.00 0.00 175.30 173.71 1put s ARG 13 N 1.49 3.61 0.32 5.12 1.70 -0.77 -4.91 118.95 125.52 1put s ARG 13 Ca 0.02 -0.52 -0.05 0.00 -0.47 0.00 0.00 55.73 54.71 1put s ARG 13 Cb -0.14 -3.06 -0.05 0.00 -0.57 0.00 0.00 34.95 31.13 1put s ARG 13 CO -0.09 0.03 0.60 1.14 -1.08 0.00 0.00 175.30 175.89 1put s GLN 14 N 0.96 3.63 0.20 3.89 -2.07 -1.26 -1.66 119.66 123.35 1put s GLN 14 Ca 0.01 0.04 -0.11 0.00 -1.82 0.00 0.00 55.36 53.49 1put s GLN 14 Cb -0.14 -2.60 0.04 0.00 -1.09 0.00 0.00 33.01 29.22 1put s GLN 14 CO 0.02 0.15 0.54 1.47 -1.32 0.00 0.00 175.29 176.15 1put n LEU 15 N -1.15 0.00 -3.88 2.60 -0.00 -0.02 -4.98 117.00 109.57 1put n LEU 15 Ca -0.01 -1.36 -0.28 0.00 -0.00 0.00 0.00 56.01 54.36 1put n LEU 15 Cb 0.54 2.16 -0.16 0.00 -0.00 0.00 0.00 43.42 45.95 1put n LEU 15 CO 0.48 -0.45 -0.42 -1.81 -0.00 0.00 0.00 177.39 175.19 1put s ASP 16 N -2.36 2.88 -0.44 1.45 1.11 -1.26 -1.68 116.67 116.36 1put s ASP 16 Ca 0.11 -0.70 -0.29 0.00 0.18 0.00 0.00 52.55 51.86 1put s ASP 16 Cb -0.03 -0.90 0.02 0.00 1.07 0.00 0.00 42.92 43.09 1put s ASP 16 CO 0.06 -0.20 1.27 -0.69 1.18 0.00 0.00 175.17 176.80 1put s VAL 17 N 1.64 4.06 1.01 -1.27 1.01 -1.26 -4.95 120.40 120.63 1put s VAL 17 Ca 0.00 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1put s VAL 17 Cb -0.16 -4.40 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1put s VAL 17 CO -0.08 -0.87 -0.39 0.00 0.00 0.00 0.00 175.10 173.76 1put n ALA 18 N 8.30 -3.09 -2.68 5.51 0.00 -1.26 -4.80 120.51 122.48 1put n ALA 18 Ca 0.14 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 1put n ALA 18 Cb 0.48 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.55 7.14 0.00 0.00 1.01 -1.26 -3.68 116.67 118.33 1put s ASP 19 Ca 0.41 1.41 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1put s ASP 19 Cb -0.03 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1put s ASP 19 CO 0.53 -0.44 0.00 0.61 0.21 0.00 0.00 175.17 176.08 1put n GLY 20 N 3.21 0.75 3.29 0.21 0.00 -1.26 -5.04 105.19 106.36 1put n GLY 20 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 0.83 -0.06 1.61 1.01 -1.24 -5.03 120.40 114.86 1put s VAL 21 Ca 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 61.98 59.96 1put s VAL 21 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1put s VAL 21 CO 0.00 -0.35 0.03 -0.94 0.00 0.00 0.00 175.10 173.84 1put s SER 22 N -3.25 5.42 0.62 3.32 1.04 -1.26 -1.63 113.70 117.96 1put s SER 22 Ca 0.28 0.15 0.26 0.00 0.48 0.00 0.00 55.95 57.11 1put s SER 22 Cb 0.06 -1.54 1.24 0.00 0.10 0.00 0.00 66.02 65.88 1put s SER 22 CO 0.07 0.34 1.68 -0.07 0.98 0.00 0.00 173.24 176.25 1put h LEU 23 N 4.78 0.00 0.04 2.42 -0.00 -1.70 0.66 115.31 121.52 1put h LEU 23 Ca -0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.20 1put h LEU 23 Cb 1.19 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.87 1put h LEU 23 CO 0.57 0.00 -0.70 -0.03 -0.00 0.00 0.00 178.44 178.27 1put h MET 24 N 0.00 0.41 -0.06 1.13 4.05 -1.65 -2.78 114.93 116.03 1put h MET 24 Ca 0.20 -0.49 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1put h MET 24 Cb 1.52 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.44 1put h MET 24 CO -0.00 1.16 -0.09 0.37 0.23 0.00 0.00 176.91 178.57 1put h GLN 25 N -0.12 -0.13 0.00 0.39 5.75 0.02 0.59 115.11 121.62 1put h GLN 25 Ca -0.10 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1put h GLN 25 Cb 1.43 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.01 1put h GLN 25 CO 0.14 -0.08 -0.01 0.00 -2.65 0.00 0.00 178.83 176.22 1put h ALA 26 N 0.90 1.43 0.00 3.38 0.00 -1.48 -0.40 119.26 123.10 1put h ALA 26 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1put h ALA 26 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1put h ALA 26 CO -0.14 0.01 -0.47 0.00 0.00 0.00 0.00 179.25 178.65 1put h ALA 27 N 1.99 0.87 -0.66 0.00 0.00 -0.61 -2.46 119.26 118.39 1put h ALA 27 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1put h ALA 27 Cb 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1put h ALA 27 CO 0.00 0.59 0.36 -0.39 0.00 0.00 0.00 179.25 179.81 1put h VAL 28 N 0.00 0.95 0.00 0.00 -1.51 -0.31 0.40 116.25 115.78 1put h VAL 28 Ca -0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1put h VAL 28 Cb 1.10 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1put h VAL 28 CO 0.06 0.12 -0.06 -1.28 -1.23 0.00 0.00 177.57 175.18 1put h SER 29 N 0.66 0.00 0.00 4.19 0.87 -1.66 -3.23 113.55 114.38 1put h SER 29 Ca 0.30 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1put h SER 29 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1put h SER 29 CO -0.19 0.89 0.10 0.59 -0.53 0.00 0.00 176.83 177.69 1put n ASN 30 N -4.65 0.46 -0.24 6.23 3.02 -0.93 -4.77 115.26 114.38 1put n ASN 30 Ca -0.08 0.68 -0.03 0.00 -0.03 0.00 0.00 54.58 55.12 1put n ASN 30 Cb 0.36 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.30 0.50 0.06 7.41 0.00 0.12 -4.90 105.19 107.09 1put n GLY 31 Ca -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.22 0.81 -0.24 -0.61 5.41 0.05 -3.93 119.36 117.63 1put n ILE 32 Ca -0.03 -0.71 0.04 0.00 1.00 0.00 0.00 62.75 63.06 1put n ILE 32 Cb 0.21 -0.27 0.15 0.00 -0.71 0.00 0.00 39.64 39.02 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 0.10 -0.33 1.39 -0.00 -1.59 1.08 116.97 117.62 1put h TYR 33 Ca -0.32 0.05 -0.09 0.00 -0.00 0.00 0.00 58.73 58.37 1put h TYR 33 Cb 1.72 0.06 -0.02 0.00 -0.00 0.00 0.00 36.73 38.50 1put h TYR 33 CO 0.00 -0.15 -0.16 0.22 -0.00 0.00 0.00 178.16 178.07 1put h ASP 34 N 0.18 0.58 -0.64 0.10 1.82 -1.78 -2.30 116.42 114.39 1put h ASP 34 Ca 0.39 -0.17 -0.42 0.00 -0.39 0.00 0.00 57.03 56.43 1put h ASP 34 Cb 0.66 -0.16 -0.18 0.00 0.68 0.00 0.00 39.33 40.33 1put h ASP 34 CO -0.55 0.76 0.54 -0.38 -1.61 0.00 0.00 179.24 178.00 1put n ILE 35 N -4.16 3.02 0.00 2.25 -0.00 0.35 -4.67 119.36 116.15 1put n ILE 35 Ca 0.01 -2.04 0.00 0.00 -0.00 0.00 0.00 62.75 60.72 1put n ILE 35 Cb 0.36 -1.30 0.00 0.00 -0.00 0.00 0.00 39.64 38.70 1put n ILE 35 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1put n VAL 36 N 0.03 0.00 -2.17 1.39 0.31 -0.08 -4.94 118.33 112.87 1put n VAL 36 Ca 0.39 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.45 1put n VAL 36 Cb 0.59 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.58 1put n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1put s GLY 37 N 0.00 1.64 0.00 2.92 0.00 -0.93 -1.83 107.32 109.13 1put s GLY 37 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1put s GLY 37 CO 0.00 -0.37 0.00 1.22 0.00 0.00 0.00 173.10 173.95 1put n ASP 38 N -2.89 0.00 0.27 1.64 9.92 -1.26 -4.44 116.55 119.78 1put n ASP 38 Ca 0.07 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.51 1put n ASP 38 Cb 0.59 0.00 0.87 0.00 -0.64 0.00 0.00 41.12 41.94 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 -0.54 -0.70 0.00 0.00 0.00 -1.26 -4.81 105.19 97.88 1put n GLY 40 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.59 0.49 3.63 -0.02 0.00 -1.26 -5.09 105.19 104.53 1put n GLY 41 Ca -0.02 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 -0.04 -4.56 1.61 3.41 -1.26 -4.60 113.62 108.18 1put n SER 42 Ca 0.00 0.31 -0.37 0.00 -0.26 0.00 0.00 58.87 58.55 1put n SER 42 Cb 0.00 -1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 62.48 1put n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1put n ALA 43 N -4.40 0.91 -1.54 7.33 0.00 -1.26 -4.66 120.51 116.88 1put n ALA 43 Ca 0.10 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.72 1put n ALA 43 Cb 0.52 -3.18 0.04 0.00 0.00 0.00 0.00 19.45 16.84 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 15.44 0.82 -0.76 0.00 2.88 -1.26 -4.82 113.62 125.91 1put n SER 44 Ca 0.36 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 1put n SER 44 Cb 0.53 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -3.00 0.93 0.24 0.00 0.00 -1.26 -4.61 120.51 112.81 1put n ALA 46 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.13 1put n ALA 46 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 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 1.63 0.98 -0.26 0.00 2.02 -1.88 -2.62 112.91 112.78 1put h THR 47 Ca 0.00 -0.48 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1put h THR 47 Cb 0.66 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.27 1put h THR 47 CO 0.00 0.13 0.13 0.00 0.37 0.00 0.00 175.52 176.15 1put n HIS 49 N 1.19 2.86 -2.82 0.00 -0.00 -0.99 -3.13 115.22 112.32 1put n HIS 49 Ca 0.21 -3.02 -0.35 0.00 -0.00 0.00 0.00 57.72 54.56 1put n HIS 49 Cb 0.59 -2.44 -0.07 0.00 -0.00 0.00 0.00 29.99 28.08 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 2.17 4.32 -0.42 3.57 -7.23 -1.19 -1.75 120.40 119.86 1put s VAL 50 Ca 0.59 1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 62.30 1put s VAL 50 Cb 0.16 -3.79 0.08 0.00 0.56 0.00 0.00 36.38 33.39 1put s VAL 50 CO -0.07 -0.10 0.27 -0.31 -0.31 0.00 0.00 175.10 174.58 1put s TYR 51 N -1.91 3.36 0.67 2.82 2.02 -0.41 -1.89 117.35 122.02 1put s TYR 51 Ca 0.56 -1.61 -0.03 0.00 -0.37 0.00 0.00 57.07 55.62 1put s TYR 51 Cb -0.14 -3.03 0.08 0.00 -0.40 0.00 0.00 41.96 38.48 1put s TYR 51 CO 0.18 -0.87 0.95 0.08 -1.57 0.00 0.00 175.55 174.32 1put s VAL 52 N 1.40 2.35 0.62 0.71 1.01 -1.20 0.13 120.40 125.42 1put s VAL 52 Ca 0.03 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1put s VAL 52 Cb -0.23 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1put s VAL 52 CO 0.01 0.00 1.03 0.20 0.00 0.00 0.00 175.10 176.35 1put s ASN 53 N -4.57 5.99 -0.01 3.32 0.02 0.27 -4.80 114.94 115.16 1put s ASN 53 Ca 0.62 1.57 0.02 0.00 -1.02 0.00 0.00 52.86 54.05 1put s ASN 53 Cb -0.09 -2.50 0.07 0.00 0.02 0.00 0.00 41.25 38.75 1put s ASN 53 CO 0.43 -1.03 0.94 -1.84 0.02 0.00 0.00 177.10 175.62 1put n GLU 54 N -2.50 1.22 -0.03 -0.60 0.28 -1.26 -2.63 120.64 115.12 1put n GLU 54 Ca 0.07 -0.27 -0.01 0.00 -0.16 0.00 0.00 57.16 56.80 1put n GLU 54 Cb 0.54 -1.19 -0.08 0.00 1.43 0.00 0.00 31.44 32.14 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 -0.20 2.01 0.20 -1.84 0.00 -1.26 -4.59 120.51 114.83 1put n ALA 55 Ca 0.02 -0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.06 1put n ALA 55 Cb 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.16 0.00 -0.01 0.00 3.01 -1.22 -4.38 117.46 112.70 1put n PHE 56 Ca -0.10 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.33 1put n PHE 56 Cb 0.60 -0.29 0.22 0.00 -0.01 0.00 0.00 39.48 40.00 1put n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1put h THR 57 N 0.00 1.24 -0.17 4.37 1.35 -1.75 -3.08 112.91 114.87 1put h THR 57 Ca 0.00 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 1put h THR 57 Cb 0.67 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1put h THR 57 CO 0.00 0.36 -0.03 -0.78 -0.25 0.00 0.00 175.52 174.82 1put h ASP 58 N 0.49 0.33 -0.81 5.36 1.82 -1.81 -3.05 116.42 118.74 1put h ASP 58 Ca 0.09 -0.35 0.18 0.00 -0.39 0.00 0.00 57.03 56.55 1put h ASP 58 Cb 0.55 -0.09 -0.11 0.00 0.68 0.00 0.00 39.33 40.36 1put h ASP 58 CO 0.04 0.61 0.31 0.11 -1.61 0.00 0.00 179.24 178.69 1put h LYS 59 N 0.05 0.38 -5.75 0.28 6.56 -1.75 -3.39 116.57 112.94 1put h LYS 59 Ca 0.05 -0.02 -0.65 0.00 -1.06 0.00 0.00 60.65 58.96 1put h LYS 59 Cb 0.46 -0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 31.97 1put h LYS 59 CO 0.02 0.25 -0.50 0.08 -2.06 0.00 0.00 179.45 177.24 1put s VAL 60 N -5.97 5.40 1.35 0.50 1.01 -1.15 -5.09 120.40 116.44 1put s VAL 60 Ca -0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1put s VAL 60 Cb 0.23 -3.44 0.34 0.00 0.00 0.00 0.00 36.38 33.51 1put s VAL 60 CO 0.77 0.46 0.77 -2.65 0.00 0.00 0.00 175.10 174.45 1put n PRO 61 N 1.44 -4.22 0.00 2.72 -0.02 -1.26 -4.81 135.00 128.85 1put n PRO 61 Ca -0.15 -1.29 0.00 0.00 -2.02 0.00 0.00 63.50 60.04 1put n PRO 61 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 -5.51 0.00 -2.60 3.55 0.00 -1.26 -4.97 120.51 109.72 1put n ALA 62 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1put n ALA 62 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.00 0.00 -3.00 0.00 0.00 -1.26 -4.75 120.51 108.50 1put n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1put n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.03 0.00 -0.11 0.00 3.02 -1.26 -4.96 115.26 111.92 1put n ASN 64 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1put n ASN 64 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.73 -0.06 3.52 0.00 -1.26 -3.61 120.64 119.97 1put n GLU 65 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 57.16 57.04 1put n GLU 65 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.81 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 0.07 0.00 5.31 3.08 -2.01 -3.21 114.38 117.62 1put h ARG 66 Ca -0.54 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.32 1put h ARG 66 Cb 2.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.12 1put h ARG 66 CO -0.03 1.06 -0.31 1.05 -1.07 0.00 0.00 179.97 180.67 1put h GLU 67 N -0.82 0.00 -0.41 0.04 4.11 -1.88 -2.90 114.58 112.73 1put h GLU 67 Ca -0.17 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.19 1put h GLU 67 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1put h GLU 67 CO -0.04 0.31 -0.01 0.82 0.07 0.00 0.00 179.01 180.16 1put h ILE 68 N 0.00 1.26 0.02 -1.06 2.04 -1.67 -0.01 117.51 118.09 1put h ILE 68 Ca -0.00 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1put h ILE 68 Cb 0.68 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1put h ILE 68 CO 0.04 0.35 -0.34 1.23 0.00 0.00 0.00 178.15 179.43 1put h GLY 69 N 0.56 -0.60 2.00 5.37 0.00 -1.51 1.15 103.07 110.04 1put h GLY 69 Ca 0.11 0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1put h GLY 69 CO 0.02 -0.24 -0.21 -0.33 0.00 0.00 0.00 176.54 175.78 1put h MET 70 N -0.51 0.00 -0.01 4.80 2.86 -1.58 -1.40 114.93 119.10 1put h MET 70 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1put h MET 70 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1put h MET 70 CO -0.27 0.21 -0.14 -0.11 1.06 0.00 0.00 176.91 177.66 1put n LEU 71 N -3.65 0.89 0.10 1.22 -0.00 -0.02 -3.61 117.00 111.93 1put n LEU 71 Ca -0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1put n LEU 71 Cb 0.33 -0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.62 1put n LEU 71 CO 0.33 0.16 0.23 -0.08 -0.00 0.00 0.00 177.39 178.03 1put h GLU 72 N 1.18 0.00 -2.86 1.96 4.57 0.24 -3.38 114.58 116.30 1put h GLU 72 Ca 0.00 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 1put h GLU 72 Cb 0.43 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.64 1put h GLU 72 CO 0.00 0.53 -0.27 0.00 -1.18 0.00 0.00 179.01 178.09 1put s VAL 74 N -1.92 2.47 -0.83 0.00 -7.23 -1.26 -4.92 120.40 106.72 1put s VAL 74 Ca 0.31 -0.89 0.22 0.00 -1.81 0.00 0.00 61.98 59.82 1put s VAL 74 Cb 0.02 -2.59 0.21 0.00 0.56 0.00 0.00 36.38 34.58 1put s VAL 74 CO -0.08 0.00 1.69 0.41 -0.31 0.00 0.00 175.10 176.82 1put n THR 75 N -2.23 0.64 -2.14 5.32 -1.04 -1.26 -4.81 114.28 108.76 1put n THR 75 Ca 0.12 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1put n THR 75 Cb 0.60 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 -1.62 0.00 -2.64 2.41 0.00 -1.26 -4.84 120.51 112.57 1put n ALA 76 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1put n ALA 76 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 1.86 2.29 0.11 0.00 -1.05 -1.26 -5.05 118.70 115.60 1put s GLU 77 Ca 0.00 -1.23 0.06 0.00 -0.15 0.00 0.00 54.97 53.65 1put s GLU 77 Cb 0.00 -2.26 -0.04 0.00 -0.44 0.00 0.00 34.13 31.40 1put s GLU 77 CO 0.00 0.42 -0.16 -1.17 0.95 0.00 0.00 175.26 175.31 1put s LEU 78 N -3.13 2.36 0.19 1.83 0.20 -1.26 -4.95 118.68 113.92 1put s LEU 78 Ca 0.28 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1put s LEU 78 Cb -0.08 -0.62 -0.04 0.00 -0.43 0.00 0.00 46.19 45.01 1put s LEU 78 CO 0.18 -0.09 0.07 -0.54 -0.29 0.00 0.00 176.35 175.69 1put s LYS 79 N -2.33 1.14 0.53 1.98 -0.14 -1.26 -5.00 119.74 114.66 1put s LYS 79 Ca 0.06 -1.58 0.26 0.00 -1.36 0.00 0.00 55.97 53.35 1put s LYS 79 Cb -0.07 0.01 1.41 0.00 -1.68 0.00 0.00 37.83 37.50 1put s LYS 79 CO 0.03 -0.27 1.77 -1.35 -0.76 0.00 0.00 175.35 174.77 1put h PRO 80 N 2.66 0.00 0.08 -1.68 0.11 -2.02 0.39 132.00 131.54 1put h PRO 80 Ca -0.36 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.47 1put h PRO 80 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1put h PRO 80 CO 0.59 0.00 -1.35 -0.97 -0.21 0.00 0.00 178.00 176.06 1put h ASN 81 N 0.00 0.28 -4.27 -2.05 -0.00 -1.95 -3.46 115.58 104.13 1put h ASN 81 Ca 0.00 -0.35 -0.52 0.00 -0.00 0.00 0.00 56.30 55.43 1put h ASN 81 Cb 0.50 -0.09 0.19 0.00 -0.00 0.00 0.00 38.32 38.92 1put h ASN 81 CO 0.00 1.28 0.25 -0.44 -0.00 0.00 0.00 177.43 178.52 1put s SER 82 N -6.89 3.18 0.25 1.15 0.01 0.12 -3.22 113.70 108.31 1put s SER 82 Ca -0.05 2.16 -0.22 0.00 1.31 0.00 0.00 55.95 59.15 1put s SER 82 Cb 0.08 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1put s SER 82 CO 0.85 -2.93 0.71 -0.13 0.41 0.00 0.00 173.24 172.15 1put s ARG 83 N -4.64 1.65 -0.40 12.44 1.81 -0.79 -4.89 118.95 124.12 1put s ARG 83 Ca 0.66 -0.87 -0.23 0.00 -1.72 0.00 0.00 55.73 53.58 1put s ARG 83 Cb -0.22 0.59 0.02 0.00 -0.45 0.00 0.00 34.95 34.89 1put s ARG 83 CO 0.57 -0.75 0.76 -0.51 -0.68 0.00 0.00 175.30 174.69 1put s LEU 84 N -2.88 4.21 0.00 2.53 1.02 -1.26 -3.19 118.68 119.11 1put s LEU 84 Ca 0.09 0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.42 1put s LEU 84 Cb -0.05 -2.96 0.39 0.00 0.02 0.00 0.00 46.19 43.59 1put s LEU 84 CO 0.03 -0.80 1.16 0.00 0.02 0.00 0.00 176.35 176.76 1put n GLN 87 N 0.71 0.01 -4.10 0.00 10.64 -0.63 -4.48 117.38 119.53 1put n GLN 87 Ca 0.20 -0.20 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 1put n GLN 87 Cb 0.69 -0.52 -0.07 0.00 -0.86 0.00 0.00 30.24 29.47 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 -0.02 4.61 0.26 -0.39 1.01 -1.16 -5.02 121.20 120.49 1put s ILE 88 Ca 0.00 -0.55 0.11 0.00 0.00 0.00 0.00 60.65 60.21 1put s ILE 88 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1put s ILE 88 CO 0.00 0.28 -0.11 -0.63 0.00 0.00 0.00 174.94 174.48 1put s ILE 89 N -1.25 2.98 -0.38 2.92 -1.09 -1.26 -2.67 121.20 120.44 1put s ILE 89 Ca 0.25 -2.08 0.02 0.00 -2.23 0.00 0.00 60.65 56.60 1put s ILE 89 Cb -0.12 -2.56 0.12 0.00 -1.58 0.00 0.00 42.46 38.32 1put s ILE 89 CO 0.16 -0.34 0.16 -0.32 -1.23 0.00 0.00 174.94 173.37 1put s MET 90 N -3.44 1.18 0.68 2.79 -2.45 -0.64 -4.85 119.30 112.57 1put s MET 90 Ca 0.29 -1.71 -0.05 0.00 -1.25 0.00 0.00 55.69 52.98 1put s MET 90 Cb -0.06 -2.46 0.07 0.00 1.25 0.00 0.00 34.83 33.63 1put s MET 90 CO 0.17 -1.06 0.97 0.95 1.05 0.00 0.00 175.02 177.11 1put s THR 91 N 0.84 2.33 -0.15 10.11 -4.23 -1.26 -4.15 115.64 119.13 1put s THR 91 Ca 0.14 -0.38 0.23 0.00 -1.18 0.00 0.00 61.69 60.50 1put s THR 91 Cb -0.21 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1put s THR 91 CO -0.10 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.04 1put h PRO 92 N -0.49 0.00 -0.13 3.99 0.11 -1.91 -2.42 132.00 131.15 1put h PRO 92 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1put h PRO 92 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1put h PRO 92 CO 0.55 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.39 1put h GLU 93 N 0.00 0.23 -6.76 1.05 4.11 -2.02 -3.43 114.58 107.76 1put h GLU 93 Ca 0.00 -0.07 -0.50 0.00 0.07 0.00 0.00 59.36 58.86 1put h GLU 93 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1put h GLU 93 CO 0.00 0.47 0.09 -0.51 0.07 0.00 0.00 179.01 179.13 1put s LEU 94 N -9.52 3.97 -0.28 3.06 1.02 -0.91 -5.08 118.68 110.94 1put s LEU 94 Ca -0.14 1.18 -0.20 0.00 0.02 0.00 0.00 54.13 54.99 1put s LEU 94 Cb 0.05 -4.02 0.09 0.00 0.02 0.00 0.00 46.19 42.33 1put s LEU 94 CO 0.71 -0.28 0.75 1.51 0.02 0.00 0.00 176.35 179.06 1put s ASP 95 N -2.69 -0.81 -0.12 2.29 1.47 -1.26 -4.43 116.67 111.13 1put s ASP 95 Ca 0.52 1.39 -0.01 0.00 1.18 0.00 0.00 52.55 55.63 1put s ASP 95 Cb -0.10 1.36 0.00 0.00 -0.34 0.00 0.00 42.92 43.84 1put s ASP 95 CO 0.24 -0.23 0.07 0.61 0.68 0.00 0.00 175.17 176.54 1put n GLY 96 N 3.58 0.70 3.81 2.12 0.00 0.36 -4.71 105.19 111.04 1put n GLY 96 Ca -0.17 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.77 4.17 -0.30 -0.61 -1.16 -0.46 -4.95 121.20 115.12 1put s ILE 97 Ca 0.03 1.38 -0.02 0.00 -0.51 0.00 0.00 60.65 61.53 1put s ILE 97 Cb -0.02 -3.57 0.05 0.00 0.61 0.00 0.00 42.46 39.53 1put s ILE 97 CO 0.04 -0.26 0.01 -0.69 -2.81 0.00 0.00 174.94 171.22 1put s VAL 98 N -2.08 3.07 0.05 4.00 1.01 -1.26 -2.64 120.40 122.54 1put s VAL 98 Ca 0.63 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1put s VAL 98 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1put s VAL 98 CO 0.16 -0.09 0.14 0.68 0.00 0.00 0.00 175.10 175.99 1put s VAL 99 N 1.27 4.97 0.43 2.92 -7.23 -0.47 -0.56 120.40 121.72 1put s VAL 99 Ca -0.05 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 1put s VAL 99 Cb -0.20 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 1put s VAL 99 CO -0.01 0.19 0.07 -1.81 -0.31 0.00 0.00 175.10 173.24 1put s ASP 100 N -2.26 3.21 0.02 4.85 1.11 0.35 0.30 116.67 124.24 1put s ASP 100 Ca 0.30 -1.61 0.01 0.00 0.18 0.00 0.00 52.55 51.43 1put s ASP 100 Cb -0.12 0.38 -0.04 0.00 1.07 0.00 0.00 42.92 44.21 1put s ASP 100 CO 0.22 -0.84 0.05 -0.69 1.18 0.00 0.00 175.17 175.09 1put s VAL 101 N -3.09 4.46 0.45 -1.27 1.01 -0.83 -1.28 120.40 119.84 1put s VAL 101 Ca 0.21 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1put s VAL 101 Cb 0.03 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.47 1put s VAL 101 CO 0.11 0.30 0.23 -2.65 0.00 0.00 0.00 175.10 173.10 1put n PRO 102 N 1.08 -1.60 0.06 2.72 -0.02 -0.72 -4.32 135.00 132.21 1put n PRO 102 Ca -0.13 -0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.08 1put n PRO 102 Cb 0.52 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 1put n PRO 102 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1put n ASP 103 N -2.54 0.66 -0.35 2.55 9.92 -1.26 -4.44 116.55 121.08 1put n ASP 103 Ca 0.04 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1put n ASP 103 Cb 0.16 0.71 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 1put n ASP 103 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1put n ARG 104 N -2.37 1.71 -0.68 -1.24 0.00 -1.26 -5.05 116.66 107.77 1put n ARG 104 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.85 1put n ARG 104 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.96 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 -0.10 2.89 0.00 -1.26 -5.00 117.38 113.91 1put n GLN 105 Ca 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 57.00 56.31 1put n GLN 105 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 30.24 30.15 1put n GLN 105 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97