#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi n LYS 25 N 0.00 0.00 -1.73 -1.58 5.02 -1.26 -4.91 118.16 113.70 1aoi n LYS 25 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1aoi n LYS 25 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1aoi n LYS 25 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1aoi n ARG 26 N 0.00 -0.83 -3.39 1.97 0.63 -1.26 -5.13 116.66 108.65 1aoi n ARG 26 Ca 0.00 1.04 0.03 0.00 -0.92 0.00 0.00 57.85 58.00 1aoi n ARG 26 Cb 0.00 -1.86 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 1aoi n ARG 26 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1aoi s ARG 27 N -0.64 0.04 0.01 -0.14 1.70 -1.26 -5.16 118.95 113.50 1aoi s ARG 27 Ca -0.03 0.08 -0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1aoi s ARG 27 Cb 0.00 0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1aoi s ARG 27 CO 0.16 -0.01 -0.00 1.17 -1.08 0.00 0.00 175.30 175.54 1aoi n LYS 28 N 3.88 0.00 0.00 3.89 4.81 -1.26 -5.06 118.16 124.42 1aoi n LYS 28 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1aoi n LYS 28 Cb 0.56 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1aoi n LYS 28 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1aoi n THR 29 N -2.57 0.00 0.00 3.15 -1.04 -1.26 -4.95 114.28 107.60 1aoi n THR 29 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1aoi n THR 29 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1aoi n THR 29 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1aoi n ARG 30 N 0.00 0.00 -3.52 -2.82 1.74 -1.26 -5.07 116.66 105.74 1aoi n ARG 30 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1aoi n ARG 30 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 1aoi n ARG 30 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1aoi s LYS 31 N -4.56 0.58 0.62 5.56 -0.14 -1.26 -5.12 119.74 115.41 1aoi s LYS 31 Ca 0.00 -1.26 -0.18 0.00 -1.36 0.00 0.00 55.97 53.17 1aoi s LYS 31 Cb 0.00 -1.43 -0.02 0.00 -1.68 0.00 0.00 37.83 34.70 1aoi s LYS 31 CO 0.00 -1.16 1.20 -1.21 -0.76 0.00 0.00 175.35 173.42 1aoi s GLU 32 N 1.19 2.85 -0.08 1.68 2.02 -1.26 -5.03 118.70 120.07 1aoi s GLU 32 Ca 0.16 1.78 -0.30 0.00 0.02 0.00 0.00 54.97 56.63 1aoi s GLU 32 Cb -0.22 -1.92 0.07 0.00 0.10 0.00 0.00 34.13 32.16 1aoi s GLU 32 CO -0.07 -1.29 0.69 0.45 0.02 0.00 0.00 175.26 175.06 1aoi s SER 33 N -1.74 -0.67 0.00 -0.19 0.15 -1.26 -5.04 113.70 104.96 1aoi s SER 33 Ca 0.76 0.80 0.26 0.00 0.70 0.00 0.00 55.95 58.47 1aoi s SER 33 Cb -0.29 0.64 1.54 0.00 -1.71 0.00 0.00 66.02 66.19 1aoi s SER 33 CO 0.35 -0.57 1.92 -1.22 1.20 0.00 0.00 173.24 174.92 1aoi n TYR 34 N 1.10 0.00 -0.27 3.44 4.01 -1.26 -4.45 117.16 119.74 1aoi n TYR 34 Ca -0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.52 1aoi n TYR 34 Cb 0.57 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 1aoi n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoi h ALA 35 N 3.59 0.03 0.00 -0.72 0.00 -1.96 -1.50 119.26 118.70 1aoi h ALA 35 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1aoi h ALA 35 Cb 0.03 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1aoi h ALA 35 CO 0.00 -0.66 -0.25 -0.84 0.00 0.00 0.00 179.25 177.50 1aoi h ILE 36 N -0.11 1.04 -0.03 0.00 3.07 -2.00 0.75 117.51 120.23 1aoi h ILE 36 Ca 0.27 -0.91 -0.24 0.00 1.55 0.00 0.00 64.86 65.53 1aoi h ILE 36 Cb 0.57 1.51 0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1aoi h ILE 36 CO -0.79 0.25 -0.94 1.88 -1.05 0.00 0.00 178.15 177.50 1aoi h TYR 37 N 0.00 0.82 0.76 0.16 0.05 -1.74 0.40 116.97 117.42 1aoi h TYR 37 Ca -0.00 -0.43 -0.04 0.00 0.05 0.00 0.00 58.73 58.32 1aoi h TYR 37 Cb 0.49 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1aoi h TYR 37 CO 0.00 1.25 -0.39 0.28 -1.05 0.00 0.00 178.16 178.24 1aoi h VAL 38 N 0.33 0.20 -0.39 -2.88 2.07 -0.77 -1.54 116.25 113.26 1aoi h VAL 38 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1aoi h VAL 38 Cb 1.57 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 1aoi h VAL 38 CO 0.17 0.00 -0.33 0.22 0.02 0.00 0.00 177.57 177.66 1aoi h TYR 39 N -1.06 -0.91 -0.80 1.57 3.20 -0.77 0.10 116.97 118.30 1aoi h TYR 39 Ca -0.10 0.06 0.18 0.00 3.14 0.00 0.00 58.73 62.01 1aoi h TYR 39 Cb 0.83 0.46 -0.12 0.00 1.54 0.00 0.00 36.73 39.44 1aoi h TYR 39 CO -0.04 -0.38 0.24 0.87 -1.64 0.00 0.00 178.16 177.21 1aoi h LYS 40 N -0.26 0.30 -0.64 1.82 1.57 -0.70 0.12 116.57 118.79 1aoi h LYS 40 Ca 0.17 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1aoi h LYS 40 Cb 0.54 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1aoi h LYS 40 CO -0.54 0.20 0.14 0.28 -0.57 0.00 0.00 179.45 178.96 1aoi h VAL 41 N 0.31 1.26 -0.36 0.50 2.07 0.18 -2.73 116.25 117.47 1aoi h VAL 41 Ca 0.47 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1aoi h VAL 41 Cb 0.84 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1aoi h VAL 41 CO -0.53 0.36 0.12 0.25 0.02 0.00 0.00 177.57 177.79 1aoi h LEU 42 N 0.95 0.12 -0.99 2.57 5.85 0.62 -1.19 115.31 123.23 1aoi h LEU 42 Ca 0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1aoi h LEU 42 Cb 0.38 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1aoi h LEU 42 CO 0.01 0.10 0.00 0.29 -0.34 0.00 0.00 178.44 178.50 1aoi n LYS 43 N -5.03 0.15 0.02 1.25 4.76 -0.67 -0.62 118.16 118.03 1aoi n LYS 43 Ca 0.01 0.53 -0.20 0.00 -2.87 0.00 0.00 58.31 55.78 1aoi n LYS 43 Cb 0.13 -1.88 -0.14 0.00 -1.84 0.00 0.00 35.03 31.30 1aoi n LYS 43 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1aoi h GLN 44 N 0.00 0.26 0.00 1.97 4.20 -0.94 -3.20 115.11 117.40 1aoi h GLN 44 Ca 0.00 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1aoi h GLN 44 Cb 0.16 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1aoi h GLN 44 CO 0.00 1.14 -0.20 0.28 -0.67 0.00 0.00 178.83 179.38 1aoi h VAL 45 N 0.07 1.22 -2.88 -0.54 2.07 -0.91 -3.42 116.25 111.87 1aoi h VAL 45 Ca -0.37 -1.98 -0.61 0.00 0.82 0.00 0.00 66.70 64.56 1aoi h VAL 45 Cb 2.05 2.38 -0.40 0.00 -1.52 0.00 0.00 31.29 33.79 1aoi h VAL 45 CO 0.12 0.41 -0.75 -1.00 0.02 0.00 0.00 177.57 176.38 1aoi s HIS 46 N -2.10 2.23 0.53 1.57 3.76 0.21 -4.98 115.29 116.51 1aoi s HIS 46 Ca -0.16 -2.66 0.25 0.00 -0.15 0.00 0.00 55.06 52.33 1aoi s HIS 46 Cb -0.01 -1.91 1.39 0.00 1.11 0.00 0.00 32.58 33.17 1aoi s HIS 46 CO 0.51 -0.73 2.01 -1.35 -0.85 0.00 0.00 174.74 174.33 1aoi h PRO 47 N 6.13 0.00 -0.68 8.40 0.11 -1.66 -1.48 132.00 142.82 1aoi h PRO 47 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1aoi h PRO 47 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1aoi h PRO 47 CO 0.52 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 1aoi n ASP 48 N -4.38 4.44 -4.59 -2.05 8.00 -1.26 -4.81 116.55 111.90 1aoi n ASP 48 Ca 0.09 -2.27 -0.34 0.00 0.71 0.00 0.00 54.79 52.98 1aoi n ASP 48 Cb 0.57 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 1aoi n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1aoi s THR 49 N -1.51 4.51 0.00 -3.53 2.01 -0.56 -5.11 115.64 111.46 1aoi s THR 49 Ca 0.50 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1aoi s THR 49 Cb 0.30 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1aoi s THR 49 CO 0.28 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1aoi n GLY 50 N 3.52 1.24 3.53 4.40 0.00 -1.26 -4.79 105.19 111.83 1aoi n GLY 50 Ca -0.17 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 1aoi n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aoi s ILE 51 N 0.94 -0.26 0.59 -0.61 2.07 -1.26 -5.14 121.20 117.53 1aoi s ILE 51 Ca 0.00 0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 59.09 1aoi s ILE 51 Cb 0.00 -0.89 -0.06 0.00 0.13 0.00 0.00 42.46 41.64 1aoi s ILE 51 CO 0.00 0.01 0.80 -0.24 -1.91 0.00 0.00 174.94 173.60 1aoi n SER 52 N 4.63 0.08 -0.21 4.50 2.88 -1.26 -4.80 113.62 119.44 1aoi n SER 52 Ca -0.18 0.78 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1aoi n SER 52 Cb 0.55 -1.31 0.02 0.00 -0.75 0.00 0.00 64.21 62.73 1aoi n SER 52 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1aoi h SER 53 N 0.37 0.96 0.08 -3.46 0.87 -2.01 -1.60 113.55 108.75 1aoi h SER 53 Ca -0.47 -0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 59.71 1aoi h SER 53 Cb 1.38 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1aoi h SER 53 CO 0.49 0.99 -0.33 0.11 -0.53 0.00 0.00 176.83 177.57 1aoi h LYS 54 N 0.89 0.36 -0.55 2.24 1.57 -2.00 -1.84 116.57 117.25 1aoi h LYS 54 Ca 0.17 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1aoi h LYS 54 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1aoi h LYS 54 CO 0.02 0.65 0.25 0.00 -0.57 0.00 0.00 179.45 179.80 1aoi h ALA 55 N 1.35 0.70 -0.56 3.86 0.00 -1.83 -2.22 119.26 120.56 1aoi h ALA 55 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1aoi h ALA 55 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1aoi h ALA 55 CO 0.06 0.28 0.16 1.98 0.00 0.00 0.00 179.25 181.73 1aoi h MET 56 N 0.74 0.84 -0.27 0.00 1.85 -0.63 -1.21 114.93 116.25 1aoi h MET 56 Ca 0.19 -0.16 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 1aoi h MET 56 Cb 0.14 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1aoi h MET 56 CO -0.02 0.74 0.05 1.03 -0.40 0.00 0.00 176.91 178.30 1aoi h SER 57 N 0.82 0.36 -0.02 1.39 0.87 -0.90 -1.45 113.55 114.61 1aoi h SER 57 Ca 0.18 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1aoi h SER 57 Cb 0.26 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1aoi h SER 57 CO -0.01 0.38 -0.08 0.40 -0.53 0.00 0.00 176.83 176.99 1aoi h ILE 58 N 0.39 1.50 -0.45 2.23 2.04 -0.80 -2.64 117.51 119.77 1aoi h ILE 58 Ca 0.09 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1aoi h ILE 58 Cb 0.19 2.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1aoi h ILE 58 CO -0.00 0.43 0.12 0.24 0.00 0.00 0.00 178.15 178.93 1aoi h MET 59 N -0.52 0.25 0.24 2.37 2.86 -0.96 0.04 114.93 119.20 1aoi h MET 59 Ca -0.01 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1aoi h MET 59 Cb 0.74 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1aoi h MET 59 CO 0.02 0.17 -0.38 -0.97 1.06 0.00 0.00 176.91 176.80 1aoi h ASN 60 N 0.26 -1.08 -0.69 1.22 -1.24 -1.33 0.20 115.58 112.92 1aoi h ASN 60 Ca 0.22 0.11 0.15 0.00 0.71 0.00 0.00 56.30 57.48 1aoi h ASN 60 Cb 0.26 0.39 -0.11 0.00 0.73 0.00 0.00 38.32 39.59 1aoi h ASN 60 CO -0.26 -0.49 0.12 0.28 -1.29 0.00 0.00 177.43 175.79 1aoi h SER 61 N -0.69 -0.08 -0.23 1.15 0.02 -1.06 0.24 113.55 112.90 1aoi h SER 61 Ca 0.00 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1aoi h SER 61 Cb 0.67 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1aoi h SER 61 CO -0.15 -0.06 -0.14 0.15 -1.14 0.00 0.00 176.83 175.49 1aoi h PHE 62 N 0.22 -0.35 -0.76 3.45 3.57 0.19 0.26 116.94 123.52 1aoi h PHE 62 Ca 0.38 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 1aoi h PHE 62 Cb 0.63 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1aoi h PHE 62 CO -0.29 -0.21 0.34 0.28 -2.23 0.00 0.00 178.31 176.19 1aoi h VAL 63 N -0.13 1.25 -0.05 1.41 2.07 0.91 -0.44 116.25 121.28 1aoi h VAL 63 Ca 0.13 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1aoi h VAL 63 Cb 0.32 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1aoi h VAL 63 CO -0.31 0.30 0.02 0.78 0.02 0.00 0.00 177.57 178.39 1aoi h ASN 64 N 1.09 0.06 0.20 0.57 2.35 -0.36 0.64 115.58 120.13 1aoi h ASN 64 Ca 0.26 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1aoi h ASN 64 Cb 0.15 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1aoi h ASN 64 CO -0.03 0.16 -0.44 -0.78 -1.65 0.00 0.00 177.43 174.69 1aoi h ASP 65 N -0.04 -1.29 -0.75 5.81 3.58 -0.03 0.21 116.42 123.91 1aoi h ASP 65 Ca 0.02 0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1aoi h ASP 65 Cb 0.11 0.46 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1aoi h ASP 65 CO -0.00 -0.50 0.49 0.58 -2.88 0.00 0.00 179.24 176.93 1aoi h VAL 66 N -0.70 1.02 0.45 2.25 2.07 -1.07 0.46 116.25 120.73 1aoi h VAL 66 Ca -0.02 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1aoi h VAL 66 Cb 0.67 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1aoi h VAL 66 CO -0.18 0.14 -0.34 0.15 0.02 0.00 0.00 177.57 177.36 1aoi h PHE 67 N 0.78 -0.90 -0.86 1.57 3.04 0.34 -1.00 116.94 119.90 1aoi h PHE 67 Ca 0.32 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.31 1aoi h PHE 67 Cb 0.27 0.34 -0.05 0.00 2.56 0.00 0.00 35.95 39.06 1aoi h PHE 67 CO -0.00 -0.50 0.55 0.93 -2.02 0.00 0.00 178.31 177.27 1aoi h GLU 68 N -0.78 1.02 -0.33 1.11 5.08 0.59 -0.56 114.58 120.71 1aoi h GLU 68 Ca -0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1aoi h GLU 68 Cb 0.66 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1aoi h GLU 68 CO 0.01 0.67 0.07 0.00 -1.00 0.00 0.00 179.01 178.76 1aoi h ARG 69 N 1.05 0.53 -0.01 2.33 3.08 -0.81 0.09 114.38 120.64 1aoi h ARG 69 Ca 0.35 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1aoi h ARG 69 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1aoi h ARG 69 CO -0.13 0.60 0.00 0.82 -1.07 0.00 0.00 179.97 180.18 1aoi h ILE 70 N 0.37 1.22 -0.81 2.04 2.04 -0.75 -1.56 117.51 120.06 1aoi h ILE 70 Ca 0.10 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1aoi h ILE 70 Cb 0.31 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1aoi h ILE 70 CO 0.00 0.17 0.54 0.00 0.00 0.00 0.00 178.15 178.86 1aoi h ALA 71 N 0.73 1.03 -0.38 1.87 0.00 -1.09 -1.74 119.26 119.69 1aoi h ALA 71 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1aoi h ALA 71 Cb 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1aoi h ALA 71 CO 0.00 0.43 0.16 0.78 0.00 0.00 0.00 179.25 180.62 1aoi h GLY 72 N 1.10 0.50 0.94 0.00 0.00 -0.82 0.13 103.07 104.91 1aoi h GLY 72 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1aoi h GLY 72 CO -0.07 0.06 0.08 -2.09 0.00 0.00 0.00 176.54 174.53 1aoi h GLU 73 N 0.34 0.20 -0.51 4.80 4.57 -0.85 -2.15 114.58 120.97 1aoi h GLU 73 Ca 0.17 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1aoi h GLU 73 Cb 0.11 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1aoi h GLU 73 CO -0.14 0.21 0.34 0.00 -1.18 0.00 0.00 179.01 178.24 1aoi h ALA 74 N 0.98 1.68 0.60 2.92 0.00 -1.05 -0.50 119.26 123.90 1aoi h ALA 74 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1aoi h ALA 74 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1aoi h ALA 74 CO -0.01 0.28 -0.42 1.03 0.00 0.00 0.00 179.25 180.13 1aoi h SER 75 N 0.65 -1.09 -0.14 0.00 0.87 -0.35 -2.24 113.55 111.25 1aoi h SER 75 Ca 0.20 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1aoi h SER 75 Cb -0.00 0.33 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 1aoi h SER 75 CO -0.05 -0.63 -0.31 0.03 -0.53 0.00 0.00 176.83 175.35 1aoi h ARG 76 N -0.98 -0.36 -0.73 2.24 3.08 -0.72 -1.88 114.38 115.03 1aoi h ARG 76 Ca -0.07 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.14 1aoi h ARG 76 Cb 0.81 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.81 1aoi h ARG 76 CO 0.04 -0.24 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.35 1aoi h LEU 77 N -0.37 -1.01 -0.29 3.04 3.38 -1.05 -1.36 115.31 117.63 1aoi h LEU 77 Ca 0.10 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.38 1aoi h LEU 77 Cb 0.53 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1aoi h LEU 77 CO -0.35 -0.28 -0.12 0.00 0.09 0.00 0.00 178.44 177.77 1aoi h ALA 78 N 1.38 0.12 -0.59 1.53 0.00 -0.72 -2.48 119.26 118.50 1aoi h ALA 78 Ca 0.31 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1aoi h ALA 78 Cb 0.56 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1aoi h ALA 78 CO -0.77 -0.52 0.36 0.45 0.00 0.00 0.00 179.25 178.77 1aoi h HIS 79 N -0.08 0.67 -0.76 0.00 3.86 -0.90 0.10 115.15 118.05 1aoi h HIS 79 Ca 0.15 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.52 1aoi h HIS 79 Cb 0.30 -0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.46 1aoi h HIS 79 CO -0.32 0.38 0.30 1.88 0.86 0.00 0.00 177.93 181.03 1aoi h TYR 80 N 0.70 0.52 -0.41 2.45 0.05 -0.92 0.51 116.97 119.87 1aoi h TYR 80 Ca 0.24 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1aoi h TYR 80 Cb 0.03 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1aoi h TYR 80 CO -0.06 0.07 0.00 0.09 -1.05 0.00 0.00 178.16 177.21 1aoi n ASN 81 N -5.00 3.00 -3.96 3.88 3.02 -0.95 -4.93 115.26 110.32 1aoi n ASN 81 Ca 0.14 -2.22 -0.29 0.00 -0.03 0.00 0.00 54.58 52.18 1aoi n ASN 81 Cb 0.42 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1aoi n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aoi n LYS 82 N 0.65 -4.41 -4.46 3.52 5.02 0.17 -4.97 118.16 113.68 1aoi n LYS 82 Ca 0.16 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.63 1aoi n LYS 82 Cb 0.56 -5.14 -0.10 0.00 -0.02 0.00 0.00 35.03 30.32 1aoi n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aoi s ARG 83 N -6.56 2.65 0.23 1.97 3.00 -0.06 -5.01 118.95 115.16 1aoi s ARG 83 Ca 0.42 -0.65 0.16 0.00 0.00 0.00 0.00 55.73 55.66 1aoi s ARG 83 Cb -0.22 -2.56 0.03 0.00 0.00 0.00 0.00 34.95 32.19 1aoi s ARG 83 CO 0.86 0.62 1.29 0.77 0.00 0.00 0.00 175.30 178.85 1aoi h SER 84 N 4.68 0.00 -4.29 0.23 0.02 -1.93 -3.39 113.55 108.86 1aoi h SER 84 Ca -0.49 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.77 1aoi h SER 84 Cb 1.17 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.45 1aoi h SER 84 CO 0.54 0.48 -0.85 0.42 -1.14 0.00 0.00 176.83 176.28 1aoi s THR 85 N -2.98 2.42 -0.48 -2.27 -4.23 -1.26 -5.09 115.64 101.75 1aoi s THR 85 Ca 0.02 -1.13 -0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1aoi s THR 85 Cb 0.08 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 72.04 1aoi s THR 85 CO 0.76 0.47 0.56 -0.63 -0.54 0.00 0.00 174.62 175.25 1aoi s ILE 86 N -0.75 4.96 0.45 2.99 1.01 -1.26 -4.93 121.20 123.67 1aoi s ILE 86 Ca 0.12 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1aoi s ILE 86 Cb -0.10 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 38.21 1aoi s ILE 86 CO 0.01 -0.70 0.56 0.35 0.00 0.00 0.00 174.94 175.17 1aoi n THR 87 N 5.54 0.00 0.31 2.92 -2.24 -1.26 -4.97 114.28 114.58 1aoi n THR 87 Ca -0.07 -1.55 0.16 0.00 -2.27 0.00 0.00 64.05 60.32 1aoi n THR 87 Cb 0.46 -0.51 0.72 0.00 -2.10 0.00 0.00 70.33 68.89 1aoi n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1aoi h SER 88 N 0.17 0.00 -0.29 3.42 4.64 -1.99 -1.81 113.55 117.69 1aoi h SER 88 Ca -0.22 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 1aoi h SER 88 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1aoi h SER 88 CO 0.33 0.00 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.15 1aoi h ARG 89 N 0.00 0.54 -0.63 4.77 2.43 -1.99 0.45 114.38 119.95 1aoi h ARG 89 Ca 0.00 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1aoi h ARG 89 Cb 0.31 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1aoi h ARG 89 CO 0.00 0.73 0.38 0.93 -1.51 0.00 0.00 179.97 180.50 1aoi h GLU 90 N 0.31 0.73 -0.39 0.20 3.07 -1.71 -1.48 114.58 115.30 1aoi h GLU 90 Ca 0.08 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1aoi h GLU 90 Cb 0.52 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1aoi h GLU 90 CO 0.02 0.48 0.25 0.82 -1.40 0.00 0.00 179.01 179.19 1aoi h ILE 91 N 0.75 1.09 0.47 3.13 1.08 -1.11 -0.31 117.51 122.61 1aoi h ILE 91 Ca 0.25 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1aoi h ILE 91 Cb 0.03 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1aoi h ILE 91 CO -0.11 0.09 -0.40 -0.61 -0.69 0.00 0.00 178.15 176.43 1aoi h GLN 92 N 0.52 -0.82 -0.92 2.37 4.15 -0.02 0.15 115.11 120.54 1aoi h GLN 92 Ca 0.14 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1aoi h GLN 92 Cb -0.05 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1aoi h GLN 92 CO -0.04 -0.55 0.55 1.79 -1.93 0.00 0.00 178.83 178.66 1aoi h THR 93 N -0.85 1.25 -0.81 2.39 1.35 -1.32 0.84 112.91 115.76 1aoi h THR 93 Ca -0.06 -0.56 0.14 0.00 -0.55 0.00 0.00 66.41 65.38 1aoi h THR 93 Cb 0.72 -0.04 -0.09 0.00 -1.73 0.00 0.00 68.15 67.01 1aoi h THR 93 CO -0.01 0.27 0.38 0.00 -0.25 0.00 0.00 175.52 175.90 1aoi h ALA 94 N 1.30 1.18 -0.13 6.62 0.00 -0.61 0.20 119.26 127.82 1aoi h ALA 94 Ca 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1aoi h ALA 94 Cb -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1aoi h ALA 94 CO -0.06 -0.14 0.04 0.28 0.00 0.00 0.00 179.25 179.37 1aoi h VAL 95 N 0.54 1.18 -0.99 0.00 2.07 0.11 -0.72 116.25 118.45 1aoi h VAL 95 Ca 0.44 -0.56 0.16 0.00 0.82 0.00 0.00 66.70 67.56 1aoi h VAL 95 Cb 0.64 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1aoi h VAL 95 CO -0.38 0.17 0.62 0.03 0.02 0.00 0.00 177.57 178.03 1aoi h ARG 96 N 0.03 0.83 0.07 1.57 3.08 0.15 0.11 114.38 120.22 1aoi h ARG 96 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1aoi h ARG 96 Cb 0.23 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1aoi h ARG 96 CO -0.00 0.55 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.34 1aoi h LEU 97 N 0.86 -0.08 -0.76 3.04 3.38 -0.77 -3.37 115.31 117.60 1aoi h LEU 97 Ca 0.53 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1aoi h LEU 97 Cb 0.71 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1aoi h LEU 97 CO -0.31 0.50 -0.32 -0.07 0.09 0.00 0.00 178.44 178.33 1aoi h LEU 98 N -0.71 0.59 -9.56 1.67 3.38 -0.29 -3.46 115.31 106.93 1aoi h LEU 98 Ca -0.01 -0.23 -0.67 0.00 0.09 0.00 0.00 57.88 57.06 1aoi h LEU 98 Cb 0.58 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1aoi h LEU 98 CO 0.02 0.87 -0.51 -0.76 0.09 0.00 0.00 178.44 178.15 1aoi s LEU 99 N -8.63 4.23 0.12 1.67 1.43 0.29 -5.07 118.68 112.73 1aoi s LEU 99 Ca -0.07 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 1aoi s LEU 99 Cb 0.13 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.23 1aoi s LEU 99 CO 0.81 0.39 1.58 -2.16 0.23 0.00 0.00 176.35 177.21 1aoi s PRO 100 N -0.94 4.22 0.00 1.29 0.04 -1.26 -4.38 135.00 133.97 1aoi s PRO 100 Ca 0.14 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1aoi s PRO 100 Cb -0.12 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1aoi s PRO 100 CO 0.03 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1aoi n GLY 101 N 3.83 0.00 0.52 0.56 0.00 -1.26 -1.22 105.19 107.62 1aoi n GLY 101 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1aoi n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aoi h GLU 102 N 0.00 -1.23 -0.94 1.61 3.07 -1.99 0.01 114.58 115.11 1aoi h GLU 102 Ca 0.00 0.08 0.24 0.00 -0.50 0.00 0.00 59.36 59.19 1aoi h GLU 102 Cb 0.00 0.28 -0.18 0.00 -0.84 0.00 0.00 28.75 28.01 1aoi h GLU 102 CO 0.00 -0.82 -0.04 -0.11 -1.40 0.00 0.00 179.01 176.64 1aoi n LEU 103 N -5.65 -0.17 -0.05 1.33 7.94 -0.36 0.03 117.00 120.08 1aoi n LEU 103 Ca -0.16 1.60 -0.12 0.00 -1.11 0.00 0.00 56.01 56.22 1aoi n LEU 103 Cb 0.51 -0.56 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 1aoi n LEU 103 CO 0.38 -1.60 0.69 0.00 -1.11 0.00 0.00 177.39 175.75 1aoi h ALA 104 N 1.88 0.20 -0.49 1.96 0.00 -1.05 -0.75 119.26 121.02 1aoi h ALA 104 Ca 0.54 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1aoi h ALA 104 Cb 1.06 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1aoi h ALA 104 CO -0.91 -0.03 -0.23 -0.22 0.00 0.00 0.00 179.25 177.86 1aoi h LYS 105 N -0.04 -0.12 -0.28 0.00 3.64 0.16 0.58 116.57 120.52 1aoi h LYS 105 Ca 0.03 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1aoi h LYS 105 Cb 0.49 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1aoi h LYS 105 CO 0.02 -0.08 -0.11 0.45 -2.27 0.00 0.00 179.45 177.46 1aoi h HIS 106 N -0.12 0.64 -0.48 1.91 3.86 -1.19 -2.61 115.15 117.15 1aoi h HIS 106 Ca 0.23 -0.15 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1aoi h HIS 106 Cb 0.48 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1aoi h HIS 106 CO -0.50 0.79 0.32 0.00 0.86 0.00 0.00 177.93 179.40 1aoi h ALA 107 N 0.76 1.85 0.02 2.45 0.00 -0.60 0.24 119.26 123.98 1aoi h ALA 107 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aoi h ALA 107 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1aoi h ALA 107 CO 0.03 0.08 -0.01 0.28 0.00 0.00 0.00 179.25 179.64 1aoi h VAL 108 N 0.47 1.19 -0.12 0.00 2.07 -0.54 -0.04 116.25 119.29 1aoi h VAL 108 Ca 0.20 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1aoi h VAL 108 Cb 0.20 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1aoi h VAL 108 CO -0.05 0.16 0.08 0.77 0.02 0.00 0.00 177.57 178.55 1aoi h SER 109 N -0.30 0.13 -0.53 0.57 4.64 -1.11 0.41 113.55 117.36 1aoi h SER 109 Ca -0.00 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1aoi h SER 109 Cb 0.29 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 1aoi h SER 109 CO 0.00 0.09 0.17 -0.33 -0.87 0.00 0.00 176.83 175.90 1aoi h GLU 110 N 0.16 0.32 0.58 4.77 4.39 -0.93 0.16 114.58 124.03 1aoi h GLU 110 Ca 0.04 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1aoi h GLU 110 Cb -0.01 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1aoi h GLU 110 CO -0.01 0.21 -0.49 0.78 -1.16 0.00 0.00 179.01 178.34 1aoi h GLY 111 N 0.33 -1.24 0.58 -3.84 0.00 -0.51 -1.10 103.07 97.29 1aoi h GLY 111 Ca 0.26 0.56 0.10 0.00 0.00 0.00 0.00 47.33 48.25 1aoi h GLY 111 CO -0.29 -0.39 0.63 -0.91 0.00 0.00 0.00 176.54 175.59 1aoi h THR 112 N -1.05 0.98 -0.04 4.70 1.35 -0.65 -2.15 112.91 116.05 1aoi h THR 112 Ca -0.07 -0.36 0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1aoi h THR 112 Cb 0.89 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1aoi h THR 112 CO -0.01 0.19 -0.04 0.50 -0.25 0.00 0.00 175.52 175.91 1aoi h LYS 113 N 1.04 -0.05 0.45 4.72 3.64 -0.29 -0.04 116.57 126.04 1aoi h LYS 113 Ca 0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1aoi h LYS 113 Cb 0.38 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1aoi h LYS 113 CO -0.23 -0.03 -0.31 0.00 -2.27 0.00 0.00 179.45 176.61 1aoi h ALA 114 N 0.98 -0.75 -0.39 5.00 0.00 -0.68 0.11 119.26 123.54 1aoi h ALA 114 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1aoi h ALA 114 Cb 0.10 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1aoi h ALA 114 CO -0.07 -0.94 0.14 0.28 0.00 0.00 0.00 179.25 178.66 1aoi h VAL 115 N -0.74 0.90 0.31 0.00 2.07 -1.29 -0.57 116.25 116.92 1aoi h VAL 115 Ca -0.05 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1aoi h VAL 115 Cb 0.62 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1aoi h VAL 115 CO 0.03 0.06 -0.27 0.74 0.02 0.00 0.00 177.57 178.14 1aoi h THR 116 N 0.31 0.43 -0.53 2.57 2.02 -0.88 -1.80 112.91 115.03 1aoi h THR 116 Ca 0.18 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.51 1aoi h THR 116 Cb 0.15 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1aoi h THR 116 CO -0.17 0.00 0.40 0.50 0.37 0.00 0.00 175.52 176.62 1aoi h LYS 117 N -0.59 0.00 0.03 6.66 3.64 -0.58 0.14 116.57 125.86 1aoi h LYS 117 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1aoi h LYS 117 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1aoi h LYS 117 CO -0.03 0.00 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.21 1aoi h TYR 118 N 0.00 -0.03 -0.16 1.91 3.20 -0.35 -3.33 116.97 118.21 1aoi h TYR 118 Ca 0.25 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1aoi h TYR 118 Cb 1.05 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1aoi h TYR 118 CO 0.00 0.47 -0.02 1.15 -1.64 0.00 0.00 178.16 178.12 1aoi h THR 119 N -0.56 1.27 -0.87 1.81 2.02 -0.48 -3.37 112.91 112.73 1aoi h THR 119 Ca -0.00 -0.93 -0.44 0.00 0.77 0.00 0.00 66.41 65.81 1aoi h THR 119 Cb 0.52 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 1aoi h THR 119 CO 0.01 0.28 1.12 -0.44 0.37 0.00 0.00 175.52 176.85 1aoi s SER 120 N -5.85 5.76 0.00 4.18 0.01 0.37 -4.53 113.70 113.64 1aoi s SER 120 Ca -0.14 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1aoi s SER 120 Cb 0.06 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1aoi s SER 120 CO 0.73 -2.19 0.00 0.00 0.41 0.00 0.00 173.24 172.18 1aoi n ALA 121 N 11.68 0.00 -0.80 1.44 0.00 -1.26 -4.69 120.51 126.88 1aoi n ALA 121 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1aoi n ALA 121 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1aoi n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67