#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unk s GLU 2 N 0.00 3.06 -0.08 0.03 2.12 -1.26 -5.10 118.70 117.47 1unk s GLU 2 Ca 0.00 -0.62 -0.11 0.00 0.36 0.00 0.00 54.97 54.60 1unk s GLU 2 Cb 0.00 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 1unk s GLU 2 CO 0.00 0.43 0.25 -0.51 -0.54 0.00 0.00 175.26 174.90 1unk s LEU 3 N -0.21 4.41 -0.35 2.70 1.02 -1.26 -5.01 118.68 119.98 1unk s LEU 3 Ca 0.02 0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.82 1unk s LEU 3 Cb -0.13 -2.29 0.11 0.00 0.02 0.00 0.00 46.19 43.90 1unk s LEU 3 CO 0.03 0.35 0.15 -0.54 0.02 0.00 0.00 176.35 176.35 1unk s LYS 4 N -0.89 0.85 -0.01 1.70 1.02 -1.26 -4.96 119.74 116.18 1unk s LYS 4 Ca 0.18 -1.35 0.16 0.00 0.02 0.00 0.00 55.97 54.98 1unk s LYS 4 Cb -0.14 -2.00 0.46 0.00 -0.52 0.00 0.00 37.83 35.63 1unk s LYS 4 CO 0.07 -1.06 1.38 0.09 -0.92 0.00 0.00 175.35 174.92 1unk n ASN 5 N 4.41 3.43 -3.57 2.83 5.03 -1.26 -5.01 115.26 121.12 1unk n ASN 5 Ca 0.02 -2.05 -0.15 0.00 0.87 0.00 0.00 54.58 53.27 1unk n ASN 5 Cb 0.39 -0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 38.74 1unk n ASN 5 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1unk s SER 6 N -1.02 -0.50 0.57 6.41 0.15 -1.26 -4.88 113.70 113.17 1unk s SER 6 Ca 0.35 0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.63 1unk s SER 6 Cb 0.19 0.50 1.70 0.00 -1.71 0.00 0.00 66.02 66.69 1unk s SER 6 CO 0.22 -0.66 2.22 -0.29 1.20 0.00 0.00 173.24 175.94 1unk h ILE 7 N 2.95 0.61 0.00 6.45 2.10 -1.91 -1.58 117.51 126.13 1unk h ILE 7 Ca -0.29 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1unk h ILE 7 Cb 1.19 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1unk h ILE 7 CO 0.40 0.01 0.00 -1.20 -1.08 0.00 0.00 178.15 176.28 1unk n SER 8 N -3.94 0.00 0.01 2.19 7.64 -1.24 -1.56 113.62 116.71 1unk n SER 8 Ca -0.03 0.17 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1unk n SER 8 Cb 0.10 -0.36 0.41 0.00 -1.01 0.00 0.00 64.21 63.35 1unk n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1unk n ASP 9 N -1.36 0.33 -4.38 6.43 8.00 -0.60 -3.48 116.55 121.49 1unk n ASP 9 Ca 0.08 0.16 -0.31 0.00 0.71 0.00 0.00 54.79 55.43 1unk n ASP 9 Cb 0.18 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 1unk n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1unk s TYR 10 N -3.02 2.41 0.67 1.24 2.02 -0.60 -4.89 117.35 115.18 1unk s TYR 10 Ca 0.12 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1unk s TYR 10 Cb 0.17 -1.43 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1unk s TYR 10 CO 0.62 0.15 0.99 0.95 -1.57 0.00 0.00 175.55 176.70 1unk s THR 11 N -0.82 2.79 0.27 -0.71 -4.23 -1.26 0.83 115.64 112.51 1unk s THR 11 Ca 0.12 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1unk s THR 11 Cb -0.10 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.80 1unk s THR 11 CO 0.03 -0.20 1.93 -0.33 -0.54 0.00 0.00 174.62 175.51 1unk h GLU 12 N -0.49 1.16 -0.30 3.99 5.08 -1.77 -2.03 114.58 120.21 1unk h GLU 12 Ca -0.45 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1unk h GLU 12 Cb 1.29 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1unk h GLU 12 CO 0.61 0.80 0.17 0.00 -1.00 0.00 0.00 179.01 179.59 1unk h ALA 13 N 1.41 0.39 -0.88 3.43 0.00 -1.93 0.10 119.26 121.76 1unk h ALA 13 Ca 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1unk h ALA 13 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1unk h ALA 13 CO -0.06 -0.09 0.49 0.93 0.00 0.00 0.00 179.25 180.52 1unk h GLU 14 N 0.37 1.22 -0.47 0.00 5.08 -1.84 -1.39 114.58 117.55 1unk h GLU 14 Ca 0.11 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1unk h GLU 14 Cb 0.05 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1unk h GLU 14 CO -0.02 0.88 -0.19 0.35 -1.00 0.00 0.00 179.01 179.04 1unk h PHE 15 N 1.23 1.06 -0.74 4.33 3.57 -1.05 -1.43 116.94 123.91 1unk h PHE 15 Ca 0.31 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1unk h PHE 15 Cb 0.01 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1unk h PHE 15 CO 0.01 1.03 0.43 0.28 -2.23 0.00 0.00 178.31 177.84 1unk h VAL 16 N 0.82 1.21 -0.43 1.41 2.07 -0.55 -1.23 116.25 119.53 1unk h VAL 16 Ca 0.11 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1unk h VAL 16 Cb 0.74 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1unk h VAL 16 CO 0.06 0.22 0.24 -0.61 0.02 0.00 0.00 177.57 177.50 1unk h GLN 17 N 1.01 0.60 -0.73 1.57 5.75 -0.96 -0.97 115.11 121.39 1unk h GLN 17 Ca 0.26 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.76 1unk h GLN 17 Cb -0.03 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.34 1unk h GLN 17 CO -0.05 0.48 0.42 1.25 -2.65 0.00 0.00 178.83 178.28 1unk h LEU 18 N 0.57 0.64 -1.09 -2.39 5.85 -0.44 -1.54 115.31 116.90 1unk h LEU 18 Ca 0.15 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1unk h LEU 18 Cb 0.05 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1unk h LEU 18 CO -0.03 0.40 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.19 1unk h LEU 19 N 0.77 0.37 -0.81 2.25 -0.00 -0.71 -1.90 115.31 115.28 1unk h LEU 19 Ca 0.33 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.88 58.02 1unk h LEU 19 Cb 0.20 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1unk h LEU 19 CO -0.19 0.60 0.02 0.11 -0.00 0.00 0.00 178.44 178.98 1unk h LYS 20 N 0.33 0.91 -0.35 1.13 1.57 -0.50 0.60 116.57 120.26 1unk h LYS 20 Ca 0.05 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1unk h LYS 20 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1unk h LYS 20 CO 0.04 0.90 -0.13 0.93 -0.57 0.00 0.00 179.45 180.61 1unk h GLU 21 N 0.85 0.71 -0.85 3.15 4.39 -0.89 -1.72 114.58 120.22 1unk h GLU 21 Ca 0.16 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1unk h GLU 21 Cb 0.48 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1unk h GLU 21 CO 0.02 0.89 0.55 0.82 -1.16 0.00 0.00 179.01 180.13 1unk h ILE 22 N 0.50 1.15 -0.55 3.13 2.04 -1.01 0.32 117.51 123.09 1unk h ILE 22 Ca 0.08 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1unk h ILE 22 Cb 0.66 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1unk h ILE 22 CO 0.04 0.20 0.35 -0.08 0.00 0.00 0.00 178.15 178.67 1unk h GLU 23 N 1.08 0.73 0.18 2.37 4.81 -0.56 0.12 114.58 123.31 1unk h GLU 23 Ca 0.33 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1unk h GLU 23 Cb -0.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1unk h GLU 23 CO -0.10 0.50 -0.09 0.87 -0.73 0.00 0.00 179.01 179.46 1unk h LYS 24 N 0.74 -0.23 0.00 1.92 1.57 -0.96 -3.07 116.57 116.54 1unk h LYS 24 Ca 0.20 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1unk h LYS 24 Cb -0.06 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1unk h LYS 24 CO -0.04 0.03 -0.05 0.93 -0.57 0.00 0.00 179.45 179.76 1unk h GLU 25 N -0.49 0.00 0.00 3.15 4.39 -0.66 -1.89 114.58 119.08 1unk h GLU 25 Ca -0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1unk h GLU 25 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1unk h GLU 25 CO 0.04 0.05 -0.25 -0.97 -1.16 0.00 0.00 179.01 176.72 1unk h ASN 26 N 0.00 0.00 -0.04 1.42 -1.24 -0.67 -2.76 115.58 112.29 1unk h ASN 26 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1unk h ASN 26 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1unk h ASN 26 CO 0.01 0.25 0.00 1.33 -1.29 0.00 0.00 177.43 177.72 1unk n VAL 27 N -3.75 0.03 -1.21 2.57 0.24 -0.73 -5.02 118.33 110.45 1unk n VAL 27 Ca -0.01 -0.51 -0.32 0.00 -2.04 0.00 0.00 64.34 61.46 1unk n VAL 27 Cb 0.35 1.36 0.10 0.00 -1.47 0.00 0.00 33.84 34.19 1unk n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unk s ALA 28 N -1.54 2.10 0.12 2.33 0.00 -1.04 -4.94 121.76 118.78 1unk s ALA 28 Ca 0.22 0.42 0.34 0.00 0.00 0.00 0.00 51.96 52.95 1unk s ALA 28 Cb 0.16 -3.33 1.47 0.00 0.00 0.00 0.00 23.12 21.41 1unk s ALA 28 CO 0.23 -1.94 2.01 0.00 0.00 0.00 0.00 175.76 176.06 1unk h ALA 29 N -1.08 1.00 -4.08 0.00 0.00 -1.94 -3.43 119.26 109.73 1unk h ALA 29 Ca -0.44 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 1unk h ALA 29 Cb 1.25 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.80 1unk h ALA 29 CO 0.49 0.00 -0.84 0.95 0.00 0.00 0.00 179.25 179.85 1unk s THR 30 N -3.70 2.47 -1.78 0.00 -4.23 -1.26 -5.04 115.64 102.10 1unk s THR 30 Ca 0.01 -1.35 0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1unk s THR 30 Cb 0.09 -2.02 0.18 0.00 1.34 0.00 0.00 72.50 72.09 1unk s THR 30 CO 0.51 0.31 1.05 0.47 -0.54 0.00 0.00 174.62 176.42 1unk n ASP 31 N 1.53 2.45 0.12 3.99 8.00 -1.26 -4.74 116.55 126.63 1unk n ASP 31 Ca -0.17 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.50 1unk n ASP 31 Cb 0.52 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1unk n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1unk h ASP 32 N 2.93 -0.34 -0.57 -2.24 3.32 -1.96 -2.18 116.42 115.38 1unk h ASP 32 Ca 0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1unk h ASP 32 Cb 0.67 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1unk h ASP 32 CO 0.00 -0.20 0.02 0.58 -1.72 0.00 0.00 179.24 177.91 1unk h VAL 33 N -0.30 1.26 -0.64 -1.35 2.07 -1.97 -3.09 116.25 112.23 1unk h VAL 33 Ca -0.00 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.55 1unk h VAL 33 Cb 0.28 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1unk h VAL 33 CO -0.03 0.40 0.09 0.25 0.02 0.00 0.00 177.57 178.30 1unk h LEU 34 N 0.89 -0.11 -1.14 2.57 5.85 -1.80 -0.85 115.31 120.72 1unk h LEU 34 Ca 0.16 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 1unk h LEU 34 Cb 0.53 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1unk h LEU 34 CO 0.03 -0.06 -0.24 0.44 -0.34 0.00 0.00 178.44 178.27 1unk h ASP 35 N 0.20 0.31 -0.24 1.25 3.32 -1.32 0.14 116.42 120.08 1unk h ASP 35 Ca 0.35 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 1unk h ASP 35 Cb 0.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1unk h ASP 35 CO -0.48 0.55 -0.47 0.58 -1.72 0.00 0.00 179.24 177.70 1unk h VAL 36 N 0.28 1.30 -0.28 -1.35 2.07 -1.20 -2.84 116.25 114.23 1unk h VAL 36 Ca 0.05 -1.68 -0.11 0.00 0.82 0.00 0.00 66.70 65.77 1unk h VAL 36 Cb 0.58 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1unk h VAL 36 CO 0.04 0.53 -0.29 -0.07 0.02 0.00 0.00 177.57 177.81 1unk h LEU 37 N 0.47 0.58 -0.65 2.57 3.38 -0.77 -2.53 115.31 118.36 1unk h LEU 37 Ca 0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1unk h LEU 37 Cb 1.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1unk h LEU 37 CO 0.11 0.84 0.09 -0.07 0.09 0.00 0.00 178.44 179.50 1unk h LEU 38 N 0.49 1.05 -0.70 1.67 3.38 -0.72 -0.10 115.31 120.38 1unk h LEU 38 Ca 0.06 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1unk h LEU 38 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1unk h LEU 38 CO 0.06 1.05 0.18 -0.08 0.09 0.00 0.00 178.44 179.73 1unk h GLU 39 N 1.00 1.12 0.28 1.13 4.81 -1.36 -2.25 114.58 119.31 1unk h GLU 39 Ca 0.20 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1unk h GLU 39 Cb 0.46 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1unk h GLU 39 CO 0.02 0.99 -0.13 1.25 -0.73 0.00 0.00 179.01 180.40 1unk h HIS 40 N 1.06 -0.35 -0.48 0.92 2.76 -1.17 -1.58 115.15 116.30 1unk h HIS 40 Ca 0.22 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 1unk h HIS 40 Cb 0.36 0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.35 1unk h HIS 40 CO 0.03 -0.16 -0.51 0.35 -1.30 0.00 0.00 177.93 176.34 1unk h PHE 41 N -0.45 -1.53 -0.57 5.26 3.57 -0.92 0.45 116.94 122.75 1unk h PHE 41 Ca -0.04 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1unk h PHE 41 Cb 0.34 0.73 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 1unk h PHE 41 CO -0.04 -0.46 0.31 0.28 -2.23 0.00 0.00 178.31 176.17 1unk h VAL 42 N -0.32 0.98 -0.64 1.41 2.07 -1.36 -1.26 116.25 117.13 1unk h VAL 42 Ca 0.12 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1unk h VAL 42 Cb 0.58 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1unk h VAL 42 CO -0.64 0.11 0.07 0.07 0.02 0.00 0.00 177.57 177.20 1unk h LYS 43 N 0.59 1.07 0.02 1.57 5.09 -0.80 -1.56 116.57 122.55 1unk h LYS 43 Ca 0.25 -0.30 -0.23 0.00 0.09 0.00 0.00 60.65 60.46 1unk h LYS 43 Cb 0.13 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.31 1unk h LYS 43 CO -0.15 1.00 -1.08 -0.84 -2.09 0.00 0.00 179.45 176.29 1unk h ILE 44 N 1.00 1.63 0.00 0.07 3.07 -0.84 -3.34 117.51 119.10 1unk h ILE 44 Ca 0.19 -3.33 -0.25 0.00 1.55 0.00 0.00 64.86 63.02 1unk h ILE 44 Cb 0.48 2.84 0.02 0.00 -0.27 0.00 0.00 36.82 39.89 1unk h ILE 44 CO 0.02 0.94 -0.99 0.71 -1.05 0.00 0.00 178.15 177.78 1unk h THR 45 N 0.01 1.30 0.00 0.16 1.35 -1.12 -3.36 112.91 111.25 1unk h THR 45 Ca -0.05 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1unk h THR 45 Cb 1.82 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 1unk h THR 45 CO 0.14 0.68 0.00 -0.62 -0.25 0.00 0.00 175.52 175.47 1unk n GLU 46 N -3.91 -0.89 -2.07 4.72 1.02 -0.60 -4.99 120.64 113.93 1unk n GLU 46 Ca -0.11 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1unk n GLU 46 Cb 0.86 -3.94 -0.03 0.00 -0.02 0.00 0.00 31.44 28.31 1unk n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1unk s HIS 47 N -1.61 3.14 0.54 -0.32 2.46 -1.26 -4.91 115.29 113.33 1unk s HIS 47 Ca 0.00 0.89 0.26 0.00 0.47 0.00 0.00 55.06 56.67 1unk s HIS 47 Cb 0.00 -3.78 1.60 0.00 -0.13 0.00 0.00 32.58 30.27 1unk s HIS 47 CO 0.00 -2.72 2.19 -1.00 -2.47 0.00 0.00 174.74 170.74 1unk h PRO 48 N 6.32 0.00 0.00 2.88 0.13 -1.97 -2.32 132.00 137.04 1unk h PRO 48 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1unk h PRO 48 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1unk h PRO 48 CO 0.85 0.03 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.21 1unk h ASP 49 N 0.00 0.00 0.00 1.44 3.32 -2.02 -3.49 116.42 115.67 1unk h ASP 49 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1unk h ASP 49 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1unk h ASP 49 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1unk n GLY 50 N 0.54 3.68 0.10 2.75 0.00 -0.87 -2.12 105.19 109.26 1unk n GLY 50 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1unk n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1unk n THR 51 N 0.00 0.83 0.20 2.61 -2.24 -1.26 -3.07 114.28 111.36 1unk n THR 51 Ca 0.00 0.20 0.17 0.00 -2.27 0.00 0.00 64.05 62.15 1unk n THR 51 Cb 0.00 -1.07 0.83 0.00 -2.10 0.00 0.00 70.33 67.99 1unk n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1unk h ASP 52 N 0.00 0.00 0.07 3.42 5.19 -1.80 0.04 116.42 123.34 1unk h ASP 52 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1unk h ASP 52 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1unk h ASP 52 CO 0.00 0.00 -0.30 -0.07 -3.12 0.00 0.00 179.24 175.75 1unk h LEU 53 N 0.00 0.36 0.14 1.55 3.38 -1.75 0.44 115.31 119.42 1unk h LEU 53 Ca 0.09 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1unk h LEU 53 Cb 0.52 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.19 1unk h LEU 53 CO -0.00 0.65 -0.84 0.40 0.09 0.00 0.00 178.44 178.74 1unk h ILE 54 N 0.31 1.50 0.00 1.22 2.04 -1.24 -3.40 117.51 117.94 1unk h ILE 54 Ca 0.04 -2.54 -0.29 0.00 1.00 0.00 0.00 64.86 63.07 1unk h ILE 54 Cb 0.69 3.20 -0.05 0.00 -0.74 0.00 0.00 36.82 39.91 1unk h ILE 54 CO 0.05 0.72 -1.71 -1.22 0.00 0.00 0.00 178.15 176.00 1unk n TYR 55 N -4.11 1.00 -3.60 1.37 4.01 -0.95 -4.63 117.16 110.25 1unk n TYR 55 Ca -0.14 0.36 -0.27 0.00 -0.16 0.00 0.00 57.90 57.69 1unk n TYR 55 Cb 0.83 -1.19 -0.10 0.00 -0.31 0.00 0.00 39.34 38.57 1unk n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1unk n TYR 56 N -3.04 2.11 -2.10 -0.72 4.01 0.15 -5.07 117.16 112.50 1unk n TYR 56 Ca -0.17 -3.99 -0.39 0.00 -0.16 0.00 0.00 57.90 53.20 1unk n TYR 56 Cb 1.05 -0.40 -0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1unk n TYR 56 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1unk s PRO 57 N -1.39 3.89 1.12 -0.72 0.02 -1.26 -4.58 135.00 132.08 1unk s PRO 57 Ca 0.31 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.24 1unk s PRO 57 Cb 0.05 -2.66 0.16 0.00 0.02 0.00 0.00 34.50 32.06 1unk s PRO 57 CO -0.13 -0.53 0.39 -1.13 -0.33 0.00 0.00 177.00 175.27 1unk n SER 58 N -0.04 -2.07 0.21 2.53 3.41 -1.26 -4.90 113.62 111.50 1unk n SER 58 Ca 0.05 -0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.64 1unk n SER 58 Cb 0.45 -1.09 0.48 0.00 -0.26 0.00 0.00 64.21 63.79 1unk n SER 58 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1unk h ASP 59 N -2.22 0.00 0.00 4.04 5.19 -2.02 -2.41 116.42 119.00 1unk h ASP 59 Ca -0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1unk h ASP 59 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1unk h ASP 59 CO 0.41 0.26 -0.92 0.59 -3.12 0.00 0.00 179.24 176.46 1unk n ASN 60 N -4.05 0.83 -4.89 6.45 3.02 -1.26 -4.97 115.26 110.40 1unk n ASN 60 Ca -0.02 -0.84 -0.31 0.00 -0.03 0.00 0.00 54.58 53.38 1unk n ASN 60 Cb 0.32 1.07 -0.04 0.00 -0.61 0.00 0.00 39.78 40.52 1unk n ASN 60 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1unk s ARG 61 N -2.72 3.72 0.46 3.52 3.52 -0.91 -5.09 118.95 121.46 1unk s ARG 61 Ca 0.06 0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.75 1unk s ARG 61 Cb 0.13 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1unk s ARG 61 CO 0.73 0.27 0.78 0.34 -0.81 0.00 0.00 175.30 176.61 1unk s ASP 62 N -2.71 6.33 -0.32 -2.12 -1.08 -1.26 -4.24 116.67 111.27 1unk s ASP 62 Ca 0.46 0.99 0.10 0.00 -0.52 0.00 0.00 52.55 53.57 1unk s ASP 62 Cb -0.11 -2.27 0.63 0.00 -1.46 0.00 0.00 42.92 39.71 1unk s ASP 62 CO 0.25 -0.54 1.67 -0.90 0.52 0.00 0.00 175.17 176.17 1unk n ASP 63 N -2.01 3.77 -4.85 -0.34 5.75 -1.26 -4.23 116.55 113.38 1unk n ASP 63 Ca 0.01 -3.43 -0.32 0.00 -0.01 0.00 0.00 54.79 51.04 1unk n ASP 63 Cb 0.55 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 1unk n ASP 63 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1unk s SER 64 N -1.68 6.66 0.25 -1.12 1.04 -1.26 -4.90 113.70 112.69 1unk s SER 64 Ca 0.50 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 1unk s SER 64 Cb 0.42 -2.45 0.40 0.00 0.10 0.00 0.00 66.02 64.49 1unk s SER 64 CO 0.08 -0.46 1.83 -0.65 0.98 0.00 0.00 173.24 175.03 1unk h PRO 65 N 1.32 0.89 -0.80 4.02 0.11 -1.91 -1.15 132.00 134.48 1unk h PRO 65 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1unk h PRO 65 Cb 1.18 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1unk h PRO 65 CO 0.62 0.59 0.40 0.93 -0.21 0.00 0.00 178.00 180.33 1unk h GLU 66 N 0.91 1.14 -0.10 1.05 3.07 -1.93 -2.03 114.58 116.70 1unk h GLU 66 Ca 0.41 -0.16 -0.17 0.00 -0.50 0.00 0.00 59.36 58.94 1unk h GLU 66 Cb 0.30 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1unk h GLU 66 CO -0.22 0.87 -0.65 0.78 -1.40 0.00 0.00 179.01 178.39 1unk h GLY 67 N 1.12 0.41 1.42 -3.84 0.00 -1.66 -1.87 103.07 98.65 1unk h GLY 67 Ca 0.28 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1unk h GLY 67 CO -0.04 0.48 -0.18 -2.22 0.00 0.00 0.00 176.54 174.57 1unk h ILE 68 N 0.27 1.26 -0.48 2.60 2.04 -1.14 -2.05 117.51 120.01 1unk h ILE 68 Ca -0.01 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.48 1unk h ILE 68 Cb 1.19 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1unk h ILE 68 CO 0.11 0.41 -0.20 0.58 0.00 0.00 0.00 178.15 179.05 1unk h VAL 69 N 0.60 1.27 -0.68 1.67 2.07 -1.24 -1.61 116.25 118.33 1unk h VAL 69 Ca 0.09 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 1unk h VAL 69 Cb 0.65 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1unk h VAL 69 CO 0.05 0.47 0.13 0.11 0.02 0.00 0.00 177.57 178.35 1unk h LYS 70 N 0.84 1.11 -0.64 1.57 1.79 -1.20 -0.46 116.57 119.58 1unk h LYS 70 Ca 0.11 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 1unk h LYS 70 Cb 0.77 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1unk h LYS 70 CO 0.06 1.00 0.05 1.49 -1.08 0.00 0.00 179.45 180.97 1unk h GLU 71 N 1.04 1.10 -0.22 3.15 4.57 -1.22 -1.51 114.58 121.49 1unk h GLU 71 Ca 0.21 -0.32 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 1unk h GLU 71 Cb 0.41 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1unk h GLU 71 CO 0.01 1.03 -0.16 0.82 -1.18 0.00 0.00 179.01 179.53 1unk h ILE 72 N 1.01 1.32 -0.07 2.32 1.08 -0.98 -1.47 117.51 120.71 1unk h ILE 72 Ca 0.19 -1.29 0.04 0.00 -0.39 0.00 0.00 64.86 63.41 1unk h ILE 72 Cb 0.50 1.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 1unk h ILE 72 CO 0.02 0.39 -0.26 0.50 -0.69 0.00 0.00 178.15 178.11 1unk h LYS 73 N 0.18 -0.35 -0.58 2.37 3.64 -1.03 -1.56 116.57 119.24 1unk h LYS 73 Ca 0.04 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1unk h LYS 73 Cb 0.69 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1unk h LYS 73 CO 0.04 -0.23 0.11 0.93 -2.27 0.00 0.00 179.45 178.02 1unk h GLU 74 N -0.36 0.96 -0.03 1.90 5.08 -1.28 -2.26 114.58 118.59 1unk h GLU 74 Ca 0.08 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1unk h GLU 74 Cb 0.49 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1unk h GLU 74 CO -0.28 0.91 -0.03 2.35 -1.00 0.00 0.00 179.01 180.96 1unk h TRP 75 N 0.86 -0.07 -0.82 4.33 7.01 -0.97 -0.65 115.95 125.64 1unk h TRP 75 Ca 0.18 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 1unk h TRP 75 Cb 0.40 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 1unk h TRP 75 CO 0.03 -0.05 0.34 0.00 -2.79 0.00 0.00 178.44 175.97 1unk h ARG 76 N -0.04 1.21 -0.21 2.65 3.08 -1.26 -2.06 114.38 117.75 1unk h ARG 76 Ca 0.02 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1unk h ARG 76 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1unk h ARG 76 CO -0.05 0.97 0.09 0.00 -1.07 0.00 0.00 179.97 179.91 1unk h ALA 77 N 1.18 0.28 0.00 0.04 0.00 -1.23 0.17 119.26 119.70 1unk h ALA 77 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1unk h ALA 77 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1unk h ALA 77 CO -0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.00 1unk h ALA 78 N 0.95 1.65 -0.65 0.00 0.00 -0.93 -2.17 119.26 118.10 1unk h ALA 78 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1unk h ALA 78 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1unk h ALA 78 CO -0.01 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1unk n ASN 79 N -4.12 4.85 -2.08 0.00 3.02 -0.79 -4.96 115.26 111.18 1unk n ASN 79 Ca -0.03 -2.47 -0.18 0.00 -0.03 0.00 0.00 54.58 51.88 1unk n ASN 79 Cb 0.16 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1unk n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1unk n GLY 80 N 1.12 -0.35 3.75 7.41 0.00 -0.82 -5.02 105.19 111.28 1unk n GLY 80 Ca 0.26 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1unk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1unk s LYS 81 N -4.96 2.73 0.62 1.61 1.02 0.01 -5.04 119.74 115.74 1unk s LYS 81 Ca 0.03 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 54.96 1unk s LYS 81 Cb -0.01 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1unk s LYS 81 CO 0.04 0.50 1.23 -2.14 -0.92 0.00 0.00 175.35 174.06 1unk s PRO 82 N -2.81 2.77 0.00 -1.68 0.02 -1.26 -4.21 135.00 127.83 1unk s PRO 82 Ca 0.29 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1unk s PRO 82 Cb -0.11 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1unk s PRO 82 CO 0.21 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 1unk n GLY 83 N 0.58 4.67 3.73 0.52 0.00 -1.26 -4.88 105.19 108.56 1unk n GLY 83 Ca 0.14 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1unk n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1unk s PHE 84 N 1.26 2.15 1.08 1.61 0.08 -1.26 -3.72 117.98 119.18 1unk s PHE 84 Ca 0.00 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 1unk s PHE 84 Cb 0.00 -3.56 0.23 0.00 -0.57 0.00 0.00 43.02 39.12 1unk s PHE 84 CO 0.00 -2.63 1.04 1.17 -0.10 0.00 0.00 175.22 174.71 1unk n LYS 85 N -2.09 -1.67 -1.56 0.44 4.81 0.24 -4.80 118.16 113.55 1unk n LYS 85 Ca 0.14 -0.44 -0.23 0.00 -0.87 0.00 0.00 58.31 56.91 1unk n LYS 85 Cb 0.49 -2.24 -0.05 0.00 0.02 0.00 0.00 35.03 33.25 1unk n LYS 85 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1unk n GLN 86 N -4.62 0.76 0.00 1.64 1.13 -1.26 -4.42 117.38 110.61 1unk n GLN 86 Ca 0.06 -0.50 0.00 0.00 -1.94 0.00 0.00 57.00 54.63 1unk n GLN 86 Cb 0.53 -3.60 0.00 0.00 0.11 0.00 0.00 30.24 27.28 1unk n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03