#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkf s GLU 4 N 1.71 1.81 -0.34 0.00 -1.05 -0.55 -1.02 118.70 119.25 2wkf s GLU 4 Ca 0.03 -0.58 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 2wkf s GLU 4 Cb -0.14 -1.55 0.00 0.00 -0.44 0.00 0.00 34.13 32.01 2wkf s GLU 4 CO -0.08 0.21 0.20 0.08 0.95 0.00 0.00 175.26 176.62 2wkf s VAL 5 N 0.14 4.79 -0.27 1.83 1.01 -0.30 -0.73 120.40 126.87 2wkf s VAL 5 Ca -0.06 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2wkf s VAL 5 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2wkf s VAL 5 CO 0.03 -0.06 0.10 -0.63 0.00 0.00 0.00 175.10 174.53 2wkf s ILE 6 N 1.63 4.40 0.02 2.22 1.01 0.82 0.35 121.20 131.65 2wkf s ILE 6 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 2wkf s ILE 6 Cb -0.18 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.19 2wkf s ILE 6 CO 0.08 0.25 0.34 0.28 0.00 0.00 0.00 174.94 175.88 2wkf s THR 7 N 1.61 0.07 -2.32 2.92 -1.32 -0.77 -0.48 115.64 115.35 2wkf s THR 7 Ca 0.06 -0.54 0.23 0.00 -1.21 0.00 0.00 61.69 60.22 2wkf s THR 7 Cb -0.16 -0.81 0.48 0.00 -1.51 0.00 0.00 72.50 70.51 2wkf s THR 7 CO 0.05 -0.30 1.60 -0.46 -2.21 0.00 0.00 174.62 173.30 2wkf n ASN 8 N 0.86 1.58 -4.68 8.08 0.23 -1.01 -0.22 115.26 120.10 2wkf n ASN 8 Ca -0.20 -1.65 -0.42 0.00 -0.53 0.00 0.00 54.58 51.78 2wkf n ASN 8 Cb 0.58 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 2wkf n ASN 8 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wkf s VAL 9 N -1.84 4.80 -0.25 3.53 1.01 -1.26 -4.69 120.40 121.70 2wkf s VAL 9 Ca 0.34 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.96 2wkf s VAL 9 Cb 0.18 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2wkf s VAL 9 CO 0.28 -0.01 0.86 0.21 0.00 0.00 0.00 175.10 176.44 2wkf s ASN 10 N 1.13 6.86 -0.02 3.32 2.47 -1.26 -4.90 114.94 122.54 2wkf s ASN 10 Ca 0.44 1.06 0.03 0.00 0.42 0.00 0.00 52.86 54.82 2wkf s ASN 10 Cb -0.17 -2.45 -0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2wkf s ASN 10 CO 0.14 -0.55 -0.11 -0.22 -3.72 0.00 0.00 177.10 172.64 2wkf s LEU 11 N 2.91 1.93 0.53 3.21 2.96 -1.26 -5.13 118.68 123.84 2wkf s LEU 11 Ca 0.36 -0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 53.83 2wkf s LEU 11 Cb -0.15 -0.63 -0.06 0.00 0.50 0.00 0.00 46.19 45.86 2wkf s LEU 11 CO 0.07 0.12 1.38 -2.84 -1.32 0.00 0.00 176.35 173.76 2wkf s PRO 12 N -0.09 3.25 0.35 0.98 0.02 -1.26 -4.69 135.00 133.56 2wkf s PRO 12 Ca 0.01 2.29 0.13 0.00 0.02 0.00 0.00 61.00 63.45 2wkf s PRO 12 Cb -0.07 -2.34 0.95 0.00 0.02 0.00 0.00 34.50 33.06 2wkf s PRO 12 CO 0.00 -1.12 1.77 -0.44 -0.33 0.00 0.00 177.00 176.88 2wkf h ASP 13 N 1.64 0.60 -0.05 2.53 3.32 -2.00 0.22 116.42 122.69 2wkf h ASP 13 Ca -0.51 0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 2wkf h ASP 13 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 2wkf h ASP 13 CO 0.58 0.15 -0.58 -0.78 -1.72 0.00 0.00 179.24 176.89 2wkf h ASP 14 N 0.54 0.72 -0.62 6.45 3.58 -1.99 0.19 116.42 125.29 2wkf h ASP 14 Ca 0.60 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 2wkf h ASP 14 Cb 1.25 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 2wkf h ASP 14 CO -0.36 1.14 0.22 0.78 -2.88 0.00 0.00 179.24 178.14 2wkf h ASN 15 N 0.49 0.88 -0.24 2.28 -0.26 -0.98 -2.12 115.58 115.62 2wkf h ASN 15 Ca 0.00 -0.19 0.03 0.00 -0.56 0.00 0.00 56.30 55.58 2wkf h ASN 15 Cb 1.15 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 38.15 2wkf h ASN 15 CO 0.11 0.83 0.08 0.58 -1.06 0.00 0.00 177.43 177.97 2wkf h VAL 16 N 0.87 0.93 -0.65 2.81 2.07 -0.52 0.36 116.25 122.12 2wkf h VAL 16 Ca 0.20 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2wkf h VAL 16 Cb 0.25 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2wkf h VAL 16 CO -0.01 0.03 0.33 1.56 0.02 0.00 0.00 177.57 179.50 2wkf h GLN 17 N 0.18 0.91 -0.16 1.57 1.08 -0.87 -0.10 115.11 117.74 2wkf h GLN 17 Ca 0.11 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2wkf h GLN 17 Cb 0.08 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2wkf h GLN 17 CO -0.11 0.69 -0.01 1.03 -0.95 0.00 0.00 178.83 179.47 2wkf h SER 18 N 0.91 0.28 -0.55 1.46 0.87 -0.77 -1.78 113.55 113.97 2wkf h SER 18 Ca 0.23 -0.33 -0.10 0.00 -1.23 0.00 0.00 61.79 60.36 2wkf h SER 18 Cb 0.07 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2wkf h SER 18 CO -0.03 0.55 -0.04 0.74 -0.53 0.00 0.00 176.83 177.52 2wkf h THR 19 N 0.01 1.27 -0.34 2.23 2.02 -0.19 -2.33 112.91 115.59 2wkf h THR 19 Ca 0.04 -1.17 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 2wkf h THR 19 Cb 0.41 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2wkf h THR 19 CO 0.01 0.42 -0.10 -0.07 0.37 0.00 0.00 175.52 176.14 2wkf h LEU 20 N 0.88 0.55 -0.64 2.58 3.38 -0.94 -0.35 115.31 120.77 2wkf h LEU 20 Ca 0.15 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2wkf h LEU 20 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2wkf h LEU 20 CO 0.04 0.70 0.13 -1.28 0.09 0.00 0.00 178.44 178.11 2wkf h SER 21 N 0.53 0.99 -0.48 -0.43 0.87 -1.10 0.35 113.55 114.28 2wkf h SER 21 Ca 0.10 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2wkf h SER 21 Cb 0.50 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2wkf h SER 21 CO 0.03 0.98 0.22 1.56 -0.53 0.00 0.00 176.83 179.09 2wkf h GLN 22 N 0.96 0.69 -0.42 2.24 4.20 -1.19 0.20 115.11 121.79 2wkf h GLN 22 Ca 0.20 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2wkf h GLN 22 Cb 0.39 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2wkf h GLN 22 CO 0.01 0.59 0.26 0.82 -0.67 0.00 0.00 178.83 179.84 2wkf h ILE 23 N 0.63 1.07 -0.60 2.54 2.04 -0.86 0.24 117.51 122.56 2wkf h ILE 23 Ca 0.16 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2wkf h ILE 23 Cb 0.13 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2wkf h ILE 23 CO -0.02 0.10 0.35 -0.33 0.00 0.00 0.00 178.15 178.25 2wkf h GLU 24 N 0.53 0.66 -0.75 2.37 5.08 0.42 -1.10 114.58 121.79 2wkf h GLU 24 Ca 0.16 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2wkf h GLU 24 Cb -0.02 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.02 2wkf h GLU 24 CO -0.06 0.44 0.42 -0.91 -1.00 0.00 0.00 179.01 177.90 2wkf h ASN 25 N 0.68 0.61 -0.71 1.42 2.35 -0.34 -1.00 115.58 118.59 2wkf h ASN 25 Ca 0.25 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2wkf h ASN 25 Cb 0.07 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 2wkf h ASN 25 CO -0.12 0.37 0.41 0.00 -1.65 0.00 0.00 177.43 176.44 2wkf h ALA 26 N 1.40 1.35 -0.09 -0.83 0.00 0.45 -0.44 119.26 121.10 2wkf h ALA 26 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2wkf h ALA 26 Cb 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wkf h ALA 26 CO -0.21 0.54 -0.04 0.82 0.00 0.00 0.00 179.25 180.35 2wkf h ILE 27 N 1.01 1.32 -0.09 0.00 2.04 -0.91 -2.49 117.51 118.38 2wkf h ILE 27 Ca 0.26 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2wkf h ILE 27 Cb 0.00 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2wkf h ILE 27 CO -0.04 0.29 -0.33 0.28 0.00 0.00 0.00 178.15 178.35 2wkf h SER 28 N -0.16 -1.02 -0.18 1.72 0.02 -0.82 -2.78 113.55 110.34 2wkf h SER 28 Ca 0.02 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 2wkf h SER 28 Cb 0.48 0.42 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 2wkf h SER 28 CO 0.01 -0.38 -0.23 0.44 -1.14 0.00 0.00 176.83 175.54 2wkf h ASP 29 N -0.43 -0.71 -0.05 3.07 3.32 -1.12 -0.85 116.42 119.65 2wkf h ASP 29 Ca 0.08 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.27 2wkf h ASP 29 Cb 0.56 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2wkf h ASP 29 CO -0.33 -0.27 0.05 0.58 -1.72 0.00 0.00 179.24 177.55 2wkf h VAL 30 N -0.26 0.53 0.00 -1.35 2.07 -1.37 -3.14 116.25 112.73 2wkf h VAL 30 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2wkf h VAL 30 Cb 0.44 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2wkf h VAL 30 CO -0.33 0.00 -0.76 1.15 0.02 0.00 0.00 177.57 177.65 2wkf n MET 31 N -3.86 2.72 0.00 1.57 0.00 -0.86 -4.90 117.12 111.80 2wkf n MET 31 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2wkf n MET 31 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.32 2wkf n MET 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wkf n GLY 32 N 1.44 1.71 3.48 3.17 0.00 -0.38 -5.01 105.19 109.60 2wkf n GLY 32 Ca 0.01 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2wkf n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkf s LYS 33 N 0.00 3.18 0.00 1.61 3.01 -1.26 -4.83 119.74 121.46 2wkf s LYS 33 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.32 2wkf s LYS 33 Cb 0.00 -4.01 0.00 0.00 -1.01 0.00 0.00 37.83 32.81 2wkf s LYS 33 CO 0.00 -1.07 0.00 0.41 0.51 0.00 0.00 175.35 175.20 2wkf n GLY 36 N 5.10 3.40 2.37 -3.33 0.00 -1.26 -4.92 105.19 106.55 2wkf n GLY 36 Ca -0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 2wkf n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wkf n TYR 37 N 0.00 1.53 -4.27 1.61 0.53 -1.26 -5.09 117.16 110.22 2wkf n TYR 37 Ca 0.00 -3.85 -0.15 0.00 -1.02 0.00 0.00 57.90 52.89 2wkf n TYR 37 Cb 0.00 -0.40 -0.10 0.00 -1.03 0.00 0.00 39.34 37.81 2wkf n TYR 37 CO 0.00 0.00 0.00 0.96 -1.02 0.00 0.00 176.86 176.80 2wkf s ILE 38 N -1.61 1.03 0.07 -0.72 -5.25 -1.26 -4.89 121.20 108.56 2wkf s ILE 38 Ca 0.36 -2.03 -0.07 0.00 -0.99 0.00 0.00 60.65 57.92 2wkf s ILE 38 Cb 0.13 -2.02 -0.05 0.00 2.95 0.00 0.00 42.46 43.47 2wkf s ILE 38 CO -0.08 -0.60 0.33 -0.04 -1.79 0.00 0.00 174.94 172.76 2wkf s MET 39 N -3.81 3.63 0.04 0.37 -1.94 -0.95 -5.04 119.30 111.60 2wkf s MET 39 Ca 0.21 -0.03 -0.03 0.00 -1.71 0.00 0.00 55.69 54.13 2wkf s MET 39 Cb 0.04 -2.98 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2wkf s MET 39 CO 0.03 0.57 0.02 -1.54 -0.01 0.00 0.00 175.02 174.09 2wkf s SER 40 N -1.99 0.29 -0.01 3.03 1.04 -1.26 -1.18 113.70 113.63 2wkf s SER 40 Ca 0.34 -0.66 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 2wkf s SER 40 Cb -0.13 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.24 2wkf s SER 40 CO 0.20 -0.48 0.65 0.21 0.98 0.00 0.00 173.24 174.80 2wkf s ASN 41 N -2.17 -0.62 -0.27 7.02 2.47 -0.19 -4.98 114.94 116.20 2wkf s ASN 41 Ca -0.05 0.56 0.03 0.00 0.42 0.00 0.00 52.86 53.82 2wkf s ASN 41 Cb -0.01 0.54 0.07 0.00 -1.45 0.00 0.00 41.25 40.40 2wkf s ASN 41 CO -0.05 -0.66 -0.06 -0.47 -3.72 0.00 0.00 177.10 172.14 2wkf s TYR 42 N -1.63 3.11 -0.47 0.43 5.04 -1.26 -1.15 117.35 121.41 2wkf s TYR 42 Ca -0.09 -2.31 -0.12 0.00 -2.44 0.00 0.00 57.07 52.10 2wkf s TYR 42 Cb -0.00 -2.05 0.10 0.00 0.35 0.00 0.00 41.96 40.36 2wkf s TYR 42 CO 0.06 -0.87 0.37 0.34 -1.34 0.00 0.00 175.55 174.11 2wkf s ASP 43 N 1.15 5.91 -0.36 4.32 -1.08 0.16 -4.97 116.67 121.79 2wkf s ASP 43 Ca -0.03 -1.62 -0.29 0.00 -0.52 0.00 0.00 52.55 50.09 2wkf s ASP 43 Cb -0.19 -2.09 0.02 0.00 -1.46 0.00 0.00 42.92 39.19 2wkf s ASP 43 CO -0.07 -0.67 1.11 -0.47 0.52 0.00 0.00 175.17 175.59 2wkf s TYR 44 N 1.51 3.03 -0.53 -5.34 5.04 -1.26 -1.84 117.35 117.95 2wkf s TYR 44 Ca 0.04 1.05 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 2wkf s TYR 44 Cb -0.26 -3.91 0.15 0.00 0.35 0.00 0.00 41.96 38.29 2wkf s TYR 44 CO 0.03 -0.97 0.34 -0.65 -1.34 0.00 0.00 175.55 172.96 2wkf s GLN 45 N 3.91 1.69 0.54 4.97 -1.52 0.69 -4.96 119.66 124.97 2wkf s GLN 45 Ca 0.47 -2.53 0.26 0.00 -1.95 0.00 0.00 55.36 51.61 2wkf s GLN 45 Cb -0.11 -2.66 1.41 0.00 -0.22 0.00 0.00 33.01 31.43 2wkf s GLN 45 CO 0.20 -1.23 2.00 1.57 -0.25 0.00 0.00 175.29 177.58 2wkf h LYS 46 N 6.11 0.00 -0.10 2.91 2.10 -1.84 -0.84 116.57 124.91 2wkf h LYS 46 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2wkf h LYS 46 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2wkf h LYS 46 CO 0.57 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.11 2wkf n ASN 47 N -4.33 1.67 -4.69 7.07 3.02 -1.26 -4.83 115.26 111.92 2wkf n ASN 47 Ca 0.09 -1.63 -0.44 0.00 -0.03 0.00 0.00 54.58 52.57 2wkf n ASN 47 Cb 0.60 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 2wkf n ASN 47 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2wkf n LEU 48 N 0.31 3.46 -4.40 3.41 7.94 -0.32 -4.98 117.00 122.43 2wkf n LEU 48 Ca 0.17 1.10 -0.30 0.00 -1.11 0.00 0.00 56.01 55.88 2wkf n LEU 48 Cb 0.35 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.69 2wkf n LEU 48 CO 0.15 -0.19 -0.55 -0.13 -1.11 0.00 0.00 177.39 175.56 2wkf s ARG 49 N 0.41 1.62 -0.04 1.96 0.52 -1.26 -4.57 118.95 117.58 2wkf s ARG 49 Ca 0.73 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2wkf s ARG 49 Cb -0.61 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 32.91 2wkf s ARG 49 CO 0.41 0.48 0.10 0.12 0.02 0.00 0.00 175.30 176.43 2wkf s PHE 50 N -0.99 -0.10 -1.33 -0.53 5.36 -0.10 -4.88 117.98 115.41 2wkf s PHE 50 Ca 0.14 0.32 -0.05 0.00 -0.96 0.00 0.00 56.93 56.37 2wkf s PHE 50 Cb -0.10 -0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.51 2wkf s PHE 50 CO 0.05 -0.11 0.67 0.41 -1.46 0.00 0.00 175.22 174.79 2wkf n GLY 51 N 3.76 -0.38 2.34 13.12 0.00 -1.26 -1.80 105.19 120.97 2wkf n GLY 51 Ca -0.21 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2wkf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkf n GLY 52 N -1.54 0.57 3.07 -0.02 0.00 -1.26 -5.02 105.19 100.98 2wkf n GLY 52 Ca -0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2wkf n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkf s SER 53 N -2.34 1.57 -0.04 1.61 0.15 -0.75 -5.01 113.70 108.90 2wkf s SER 53 Ca 0.00 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.52 2wkf s SER 53 Cb 0.00 -0.31 0.40 0.00 -1.71 0.00 0.00 66.02 64.40 2wkf s SER 53 CO 0.00 0.13 1.28 -3.20 1.20 0.00 0.00 173.24 172.65 2wkf n ASN 54 N 3.01 2.68 -4.65 5.45 5.15 -1.26 -0.92 115.26 124.72 2wkf n ASN 54 Ca -0.16 -2.15 -0.30 0.00 -0.60 0.00 0.00 54.58 51.36 2wkf n ASN 54 Cb 0.54 -0.38 0.17 0.00 -0.53 0.00 0.00 39.78 39.59 2wkf n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wkf s GLU 55 N -1.60 0.76 0.20 1.20 0.41 -1.26 -4.87 118.70 113.54 2wkf s GLU 55 Ca 0.29 1.27 -0.32 0.00 -0.41 0.00 0.00 54.97 55.80 2wkf s GLU 55 Cb 0.17 -1.72 -0.14 0.00 -1.78 0.00 0.00 34.13 30.66 2wkf s GLU 55 CO 0.16 -2.72 1.36 0.00 -0.49 0.00 0.00 175.26 173.57 2wkf n ALA 56 N -4.27 0.49 -3.61 5.21 0.00 -1.26 -4.82 120.51 112.25 2wkf n ALA 56 Ca 0.09 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 2wkf n ALA 56 Cb 0.53 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 2wkf n ALA 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wkf s TYR 57 N 0.06 -0.74 -0.06 0.00 5.04 -1.26 -4.79 117.35 115.60 2wkf s TYR 57 Ca 0.72 1.69 0.02 0.00 -2.44 0.00 0.00 57.07 57.06 2wkf s TYR 57 Cb -0.73 0.31 0.02 0.00 0.35 0.00 0.00 41.96 41.91 2wkf s TYR 57 CO 0.49 -0.42 -0.09 0.00 -1.34 0.00 0.00 175.55 174.19 2wkf s PHE 59 N 0.77 2.92 -0.22 0.00 5.36 0.37 -0.60 117.98 126.59 2wkf s PHE 59 Ca -0.13 -0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 54.82 2wkf s PHE 59 Cb -0.15 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2wkf s PHE 59 CO 0.02 -0.54 -0.05 0.08 -1.46 0.00 0.00 175.22 173.27 2wkf s VAL 60 N 1.33 3.25 -0.17 3.12 1.01 0.48 -0.12 120.40 129.29 2wkf s VAL 60 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2wkf s VAL 60 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2wkf s VAL 60 CO -0.04 0.41 -0.17 -0.60 0.00 0.00 0.00 175.10 174.70 2wkf s ARG 61 N 1.46 3.10 -0.24 2.72 3.52 0.09 -0.24 118.95 129.35 2wkf s ARG 61 Ca 0.05 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2wkf s ARG 61 Cb -0.14 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2wkf s ARG 61 CO -0.04 -0.13 -0.05 0.42 -0.81 0.00 0.00 175.30 174.69 2wkf s ILE 62 N 1.13 3.04 -0.14 4.11 1.01 -0.40 -1.48 121.20 128.47 2wkf s ILE 62 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2wkf s ILE 62 Cb -0.14 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2wkf s ILE 62 CO -0.07 0.27 -0.12 -0.89 0.00 0.00 0.00 174.94 174.13 2wkf s THR 63 N 1.38 3.12 -1.42 2.92 2.01 -1.26 -0.02 115.64 122.37 2wkf s THR 63 Ca 0.02 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 2wkf s THR 63 Cb -0.16 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.07 2wkf s THR 63 CO -0.04 0.52 1.00 -1.20 -0.69 0.00 0.00 174.62 174.20 2wkf n SER 64 N 3.62 -4.41 -4.45 3.53 7.64 -0.94 -4.39 113.62 114.22 2wkf n SER 64 Ca -0.18 -0.71 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 2wkf n SER 64 Cb 0.53 -4.33 -0.10 0.00 -1.01 0.00 0.00 64.21 59.29 2wkf n SER 64 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wkf s ILE 65 N -3.37 5.07 0.05 0.44 1.01 -1.26 -4.36 121.20 118.77 2wkf s ILE 65 Ca 0.48 -0.66 -0.34 0.00 0.00 0.00 0.00 60.65 60.13 2wkf s ILE 65 Cb -0.23 -3.80 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 2wkf s ILE 65 CO 0.79 -0.25 1.47 1.23 0.00 0.00 0.00 174.94 178.19 2wkf h GLY 66 N 8.56 -1.15 1.27 6.18 0.00 -2.01 -3.25 103.07 112.67 2wkf h GLY 66 Ca -0.27 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wkf h GLY 66 CO 0.70 -0.42 0.27 0.61 0.00 0.00 0.00 176.54 177.70 2wkf n GLY 67 N -1.34 -0.63 3.64 4.60 0.00 -1.26 -4.46 105.19 105.74 2wkf n GLY 67 Ca -0.15 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2wkf n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkf s ILE 68 N -3.32 5.09 0.39 -0.61 -1.09 -1.23 -4.73 121.20 115.69 2wkf s ILE 68 Ca -0.01 0.91 0.04 0.00 -2.23 0.00 0.00 60.65 59.36 2wkf s ILE 68 Cb 0.04 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 2wkf s ILE 68 CO 0.12 0.14 0.05 0.20 -1.23 0.00 0.00 174.94 174.22 2wkf s ASN 69 N 1.32 3.06 0.57 3.58 0.02 -1.26 -4.94 114.94 117.28 2wkf s ASN 69 Ca 0.22 -1.47 0.26 0.00 -1.02 0.00 0.00 52.86 50.86 2wkf s ASN 69 Cb -0.15 0.03 1.66 0.00 0.02 0.00 0.00 41.25 42.81 2wkf s ASN 69 CO 0.09 -0.66 2.21 0.08 0.02 0.00 0.00 177.10 178.84 2wkf h ARG 70 N 1.87 0.00 0.00 -0.60 0.11 -1.97 0.64 114.38 114.42 2wkf h ARG 70 Ca -0.41 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.67 2wkf h ARG 70 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 2wkf h ARG 70 CO 0.71 0.00 -0.02 1.03 0.10 0.00 0.00 179.97 181.79 2wkf h SER 71 N 0.00 0.00 0.00 0.08 0.87 -1.98 -3.33 113.55 109.19 2wkf h SER 71 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2wkf h SER 71 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2wkf h SER 71 CO -0.00 0.02 0.00 -0.46 -0.53 0.00 0.00 176.83 175.86 2wkf n ASN 72 N -3.43 0.00 -0.15 6.23 0.23 0.19 -4.92 115.26 113.40 2wkf n ASN 72 Ca -0.03 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.93 2wkf n ASN 72 Cb 0.12 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2wkf n ASN 72 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wkf h ASN 73 N 0.00 0.68 -0.27 0.53 7.08 -0.71 -2.05 115.58 120.84 2wkf h ASN 73 Ca 0.00 -0.24 0.07 0.00 -3.08 0.00 0.00 56.30 53.04 2wkf h ASN 73 Cb 0.80 -0.18 -0.07 0.00 -2.08 0.00 0.00 38.32 36.79 2wkf h ASN 73 CO 0.00 0.75 -0.21 0.28 -2.08 0.00 0.00 177.43 176.16 2wkf h SER 74 N 0.59 -0.70 -0.73 6.14 0.02 -1.84 -0.04 113.55 116.98 2wkf h SER 74 Ca 0.14 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2wkf h SER 74 Cb 0.34 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2wkf h SER 74 CO 0.00 -0.25 0.35 0.00 -1.14 0.00 0.00 176.83 175.79 2wkf h ALA 75 N 0.92 1.21 0.06 3.77 0.00 -1.90 -1.26 119.26 122.06 2wkf h ALA 75 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wkf h ALA 75 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wkf h ALA 75 CO -0.39 0.60 -0.03 1.25 0.00 0.00 0.00 179.25 180.68 2wkf h LEU 76 N 1.06 -0.06 -0.93 0.00 5.85 -1.00 -0.46 115.31 119.77 2wkf h LEU 76 Ca 0.26 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2wkf h LEU 76 Cb 0.12 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2wkf h LEU 76 CO -0.03 0.02 0.58 0.00 -0.34 0.00 0.00 178.44 178.67 2wkf h ALA 77 N 0.80 1.30 -0.35 1.25 0.00 -0.75 -0.54 119.26 120.97 2wkf h ALA 77 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2wkf h ALA 77 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wkf h ALA 77 CO 0.01 0.30 -0.34 0.22 0.00 0.00 0.00 179.25 179.44 2wkf h ASP 78 N 1.02 0.90 -0.34 0.00 3.58 -1.03 -0.72 116.42 119.83 2wkf h ASP 78 Ca 0.42 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2wkf h ASP 78 Cb 0.24 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2wkf h ASP 78 CO -0.20 1.18 0.22 1.56 -2.88 0.00 0.00 179.24 179.12 2wkf h GLN 79 N 0.64 0.46 -0.25 0.28 4.20 -0.40 -0.27 115.11 119.77 2wkf h GLN 79 Ca 0.06 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2wkf h GLN 79 Cb 0.93 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2wkf h GLN 79 CO 0.09 0.33 -0.13 0.82 -0.67 0.00 0.00 178.83 179.27 2wkf h ILE 80 N 0.45 1.30 -0.56 2.54 2.04 -1.11 -2.24 117.51 119.94 2wkf h ILE 80 Ca 0.12 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 64.86 2wkf h ILE 80 Cb -0.02 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2wkf h ILE 80 CO -0.02 0.38 0.18 0.74 0.00 0.00 0.00 178.15 179.43 2wkf h THR 81 N 0.25 0.76 -0.71 -0.27 2.02 -0.78 -1.38 112.91 112.79 2wkf h THR 81 Ca 0.05 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2wkf h THR 81 Cb 0.64 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2wkf h THR 81 CO 0.04 0.06 0.19 0.11 0.37 0.00 0.00 175.52 176.29 2wkf h LYS 82 N 0.35 1.14 -0.35 6.66 1.57 -0.90 -1.27 116.57 123.77 2wkf h LYS 82 Ca 0.28 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wkf h LYS 82 Cb 0.35 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2wkf h LYS 82 CO -0.31 0.99 0.14 -0.07 -0.57 0.00 0.00 179.45 179.64 2wkf h LEU 83 N 1.07 0.44 0.15 2.94 3.38 -0.95 -1.93 115.31 120.41 2wkf h LEU 83 Ca 0.23 -0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.86 2wkf h LEU 83 Cb 0.36 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wkf h LEU 83 CO -0.00 0.40 -1.40 -0.07 0.09 0.00 0.00 178.44 177.46 2wkf h LEU 84 N 0.49 0.51 -0.62 1.67 3.38 -0.73 -0.72 115.31 119.29 2wkf h LEU 84 Ca 0.12 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2wkf h LEU 84 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2wkf h LEU 84 CO -0.01 1.48 0.32 -0.37 0.09 0.00 0.00 178.44 179.94 2wkf h VAL 85 N 0.09 1.21 0.28 1.22 -1.51 -1.14 -0.83 116.25 115.57 2wkf h VAL 85 Ca -0.20 -0.56 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 2wkf h VAL 85 Cb 2.03 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2wkf h VAL 85 CO 0.21 0.23 -0.14 0.28 -1.23 0.00 0.00 177.57 176.92 2wkf h SER 86 N 0.85 -0.32 0.95 4.19 0.02 -1.38 -2.02 113.55 115.84 2wkf h SER 86 Ca 0.22 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2wkf h SER 86 Cb 0.08 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2wkf h SER 86 CO -0.03 -0.20 -1.13 0.78 -1.14 0.00 0.00 176.83 175.11 2wkf h ASN 87 N -0.41 0.00 -0.00 3.07 4.21 -1.02 -3.34 115.58 118.09 2wkf h ASN 87 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 2wkf h ASN 87 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2wkf h ASN 87 CO 0.06 0.53 -0.30 0.18 -1.29 0.00 0.00 177.43 176.61 2wkf n LEU 88 N -2.98 0.58 -2.44 1.61 4.32 -0.33 -5.01 117.00 112.76 2wkf n LEU 88 Ca -0.06 -0.58 -0.15 0.00 -0.02 0.00 0.00 56.01 55.20 2wkf n LEU 88 Cb 0.79 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.64 2wkf n LEU 88 CO 0.42 0.13 0.15 -3.20 -1.22 0.00 0.00 177.39 173.68 2wkf n ASN 89 N -0.91 -4.72 -4.76 -1.43 5.15 -0.76 -5.02 115.26 102.82 2wkf n ASN 89 Ca 0.02 -0.34 -0.35 0.00 -0.60 0.00 0.00 54.58 53.31 2wkf n ASN 89 Cb 0.14 -3.34 -0.08 0.00 -0.53 0.00 0.00 39.78 35.97 2wkf n ASN 89 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wkf s VAL 90 N -3.20 4.71 0.20 3.44 1.01 -1.23 -5.04 120.40 120.29 2wkf s VAL 90 Ca 0.36 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2wkf s VAL 90 Cb -0.16 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2wkf s VAL 90 CO 0.46 0.54 1.33 -0.54 0.00 0.00 0.00 175.10 176.88 2wkf s LYS 91 N -1.16 4.37 0.50 2.72 1.02 -1.26 -4.23 119.74 121.71 2wkf s LYS 91 Ca 0.16 2.09 0.24 0.00 0.02 0.00 0.00 55.97 58.48 2wkf s LYS 91 Cb -0.12 -3.19 1.33 0.00 -0.52 0.00 0.00 37.83 35.33 2wkf s LYS 91 CO 0.06 -0.28 1.95 0.66 -0.92 0.00 0.00 175.35 176.82 2wkf h SER 92 N 5.38 0.10 -0.00 2.83 4.64 -1.94 0.31 113.55 124.87 2wkf h SER 92 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wkf h SER 92 Cb 1.21 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2wkf h SER 92 CO 0.78 0.05 0.00 -0.09 -0.87 0.00 0.00 176.83 176.70 2wkf h ARG 93 N 0.11 0.00 -0.21 4.77 2.43 -2.01 -2.76 114.38 116.70 2wkf h ARG 93 Ca 0.33 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 2wkf h ARG 93 Cb 1.13 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 2wkf h ARG 93 CO -0.04 0.00 -0.20 0.54 -1.51 0.00 0.00 179.97 178.76 2wkf n ARG 94 N -3.39 1.79 -4.05 0.20 1.74 0.11 -4.87 116.66 108.20 2wkf n ARG 94 Ca -0.03 -3.17 -0.33 0.00 -0.77 0.00 0.00 57.85 53.55 2wkf n ARG 94 Cb 0.08 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.63 2wkf n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wkf s ILE 95 N -3.20 2.43 -0.17 0.55 1.01 -1.04 -1.75 121.20 119.04 2wkf s ILE 95 Ca 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2wkf s ILE 95 Cb 0.38 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2wkf s ILE 95 CO -0.02 0.33 -0.17 -0.47 0.00 0.00 0.00 174.94 174.61 2wkf s TYR 96 N 1.28 2.78 -0.22 3.97 5.04 0.23 -4.99 117.35 125.44 2wkf s TYR 96 Ca 0.01 -1.35 -0.08 0.00 -2.44 0.00 0.00 57.07 53.21 2wkf s TYR 96 Cb -0.15 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2wkf s TYR 96 CO -0.08 -0.66 0.08 0.08 -1.34 0.00 0.00 175.55 173.64 2wkf s VAL 97 N 1.11 4.69 0.03 3.14 1.01 -1.26 -0.39 120.40 128.72 2wkf s VAL 97 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2wkf s VAL 97 Cb -0.14 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2wkf s VAL 97 CO -0.06 0.38 -0.20 -0.70 0.00 0.00 0.00 175.10 174.51 2wkf s GLU 98 N 1.05 1.44 -0.31 2.72 2.12 0.67 -4.97 118.70 121.41 2wkf s GLU 98 Ca 0.05 -0.89 -0.10 0.00 0.36 0.00 0.00 54.97 54.39 2wkf s GLU 98 Cb -0.14 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 2wkf s GLU 98 CO 0.03 0.39 0.17 -0.06 -0.54 0.00 0.00 175.26 175.25 2wkf s PHE 99 N -0.73 3.19 0.21 5.30 0.08 -1.26 -1.28 117.98 123.49 2wkf s PHE 99 Ca 0.07 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.73 2wkf s PHE 99 Cb -0.09 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 2wkf s PHE 99 CO 0.01 -0.42 0.14 1.03 -0.10 0.00 0.00 175.22 175.89 2wkf s ARG 100 N 1.64 2.83 -0.09 0.44 0.52 0.97 -4.96 118.95 120.31 2wkf s ARG 100 Ca 0.05 -0.99 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 2wkf s ARG 100 Cb -0.17 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2wkf s ARG 100 CO 0.07 0.44 -0.21 -0.51 0.02 0.00 0.00 175.30 175.11 2wkf s ASP 101 N -3.41 2.82 0.08 0.23 -0.00 -1.26 -2.22 116.67 112.90 2wkf s ASP 101 Ca 0.31 -0.51 0.07 0.00 -0.00 0.00 0.00 52.55 52.42 2wkf s ASP 101 Cb -0.09 -1.29 -0.03 0.00 -0.00 0.00 0.00 42.92 41.51 2wkf s ASP 101 CO 0.23 0.13 -0.18 0.00 -0.00 0.00 0.00 175.17 175.35 2wkf s SER 103 N -1.68 5.92 0.01 0.00 0.01 -1.26 -5.03 113.70 111.67 2wkf s SER 103 Ca 0.03 1.85 -0.05 0.00 1.31 0.00 0.00 55.95 59.09 2wkf s SER 103 Cb -0.10 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2wkf s SER 103 CO 0.03 -1.07 0.08 0.00 0.41 0.00 0.00 173.24 172.69 2wkf s ALA 104 N -2.33 -0.15 0.27 1.44 0.00 -1.26 -5.12 121.76 114.61 2wkf s ALA 104 Ca 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2wkf s ALA 104 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2wkf s ALA 104 CO 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.88 2wkf n GLN 105 N 1.39 -2.30 0.00 0.00 10.64 -1.26 -5.36 117.38 120.50 2wkf n GLN 105 Ca -0.23 1.53 0.00 0.00 -1.83 0.00 0.00 57.00 56.47 2wkf n GLN 105 Cb 0.56 -2.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.13 2wkf n GLN 105 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32