#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkt s GLN 51 N 0.00 2.44 0.00 -0.78 -1.52 -1.26 -1.04 119.66 117.50 3bkt s GLN 51 Ca 0.00 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 3bkt s GLN 51 Cb 0.00 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.49 3bkt s GLN 51 CO 0.00 0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.85 3bkt n GLY 52 N -0.65 -0.64 3.57 3.09 0.00 0.03 -1.00 105.19 109.59 3bkt n GLY 52 Ca -0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 3bkt n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bkt s PHE 53 N -3.95 2.44 0.14 1.61 0.08 -0.70 -0.75 117.98 116.85 3bkt s PHE 53 Ca 0.00 -0.52 -0.19 0.00 0.12 0.00 0.00 56.93 56.34 3bkt s PHE 53 Cb 0.00 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.05 3bkt s PHE 53 CO 0.00 0.55 0.50 0.00 -0.10 0.00 0.00 175.22 176.17 3bkt s ALA 54 N -2.62 -1.25 -0.11 5.36 0.00 -0.16 -0.03 121.76 122.95 3bkt s ALA 54 Ca 0.33 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3bkt s ALA 54 Cb 0.03 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3bkt s ALA 54 CO 0.17 -0.71 -0.13 0.08 0.00 0.00 0.00 175.76 175.17 3bkt s VAL 55 N -3.78 1.32 -0.20 0.00 1.01 0.18 -0.67 120.40 118.27 3bkt s VAL 55 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3bkt s VAL 55 Cb 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3bkt s VAL 55 CO -0.12 0.41 -0.12 -0.22 0.00 0.00 0.00 175.10 175.05 3bkt s LEU 56 N 1.20 2.35 0.09 3.92 2.96 -0.00 -0.71 118.68 128.50 3bkt s LEU 56 Ca -0.03 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.07 3bkt s LEU 56 Cb -0.14 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3bkt s LEU 56 CO -0.04 -0.12 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.79 3bkt s SER 57 N 1.35 4.13 0.01 3.68 1.04 -0.41 -0.52 113.70 122.98 3bkt s SER 57 Ca -0.01 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 55.72 3bkt s SER 57 Cb -0.16 -0.72 0.10 0.00 0.10 0.00 0.00 66.02 65.34 3bkt s SER 57 CO -0.09 0.20 0.83 -0.72 0.98 0.00 0.00 173.24 174.45 3bkt s TYR 58 N -1.11 -0.40 -0.01 5.02 -0.85 -0.45 -0.94 117.35 118.62 3bkt s TYR 58 Ca 0.18 0.30 0.08 0.00 -0.52 0.00 0.00 57.07 57.11 3bkt s TYR 58 Cb -0.11 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 3bkt s TYR 58 CO 0.10 -0.59 -0.24 0.08 -1.52 0.00 0.00 175.55 173.38 3bkt s VAL 59 N -3.01 2.27 0.13 -3.49 1.01 0.19 -1.14 120.40 116.36 3bkt s VAL 59 Ca 0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 3bkt s VAL 59 Cb -0.01 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.57 3bkt s VAL 59 CO -0.08 0.52 0.41 -0.72 0.00 0.00 0.00 175.10 175.24 3bkt s TYR 60 N -0.69 -0.21 -0.32 5.22 1.13 -0.43 -0.30 117.35 121.76 3bkt s TYR 60 Ca 0.11 -0.11 -0.22 0.00 -1.41 0.00 0.00 57.07 55.44 3bkt s TYR 60 Cb -0.10 0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3bkt s TYR 60 CO 0.00 -0.72 0.71 -1.21 -2.51 0.00 0.00 175.55 171.82 3bkt s GLU 61 N -3.81 3.88 0.32 -3.49 2.02 -1.26 -0.01 118.70 116.34 3bkt s GLU 61 Ca 0.03 0.38 0.06 0.00 0.02 0.00 0.00 54.97 55.47 3bkt s GLU 61 Cb 0.02 -3.75 0.53 0.00 0.10 0.00 0.00 34.13 31.03 3bkt s GLU 61 CO -0.11 -0.67 1.77 1.12 0.02 0.00 0.00 175.26 177.38 3bkt h HIS 62 N 8.23 0.34 -1.73 1.61 2.07 -1.87 -3.41 115.15 120.39 3bkt h HIS 62 Ca -0.25 -0.07 -0.77 0.00 -2.85 0.00 0.00 60.37 56.43 3bkt h HIS 62 Cb 1.11 -0.08 -0.18 0.00 2.57 0.00 0.00 27.41 30.82 3bkt h HIS 62 CO 0.77 0.57 1.77 -1.91 -3.07 0.00 0.00 177.93 176.05 3bkt n GLU 63 N -4.12 4.28 0.00 5.12 2.13 -1.26 -2.99 120.64 123.80 3bkt n GLU 63 Ca -0.01 -3.85 0.00 0.00 0.66 0.00 0.00 57.16 53.96 3bkt n GLU 63 Cb 0.40 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3bkt n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3bkt n LEU 67 N 2.29 0.00 -0.20 4.31 7.94 -1.26 -5.17 117.00 124.91 3bkt n LEU 67 Ca 0.44 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 3bkt n LEU 67 Cb 0.31 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.37 3bkt n LEU 67 CO 0.73 0.00 0.99 0.00 -1.11 0.00 0.00 177.39 178.00 3bkt h ALA 68 N 0.00 0.79 -0.39 1.96 0.00 -1.78 -0.59 119.26 119.25 3bkt h ALA 68 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3bkt h ALA 68 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3bkt h ALA 68 CO 0.00 -0.19 0.14 1.03 0.00 0.00 0.00 179.25 180.23 3bkt h SER 69 N 0.41 0.55 -0.93 0.00 0.87 -1.99 -2.48 113.55 109.98 3bkt h SER 69 Ca 0.31 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3bkt h SER 69 Cb 0.38 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 3bkt h SER 69 CO -0.31 0.59 0.58 0.03 -0.53 0.00 0.00 176.83 177.19 3bkt h ARG 70 N 0.49 1.24 -0.28 2.24 -0.00 -1.80 -1.51 114.38 114.76 3bkt h ARG 70 Ca 0.13 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.98 59.39 3bkt h ARG 70 Cb 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 29.97 29.91 3bkt h ARG 70 CO -0.01 0.85 -0.30 0.82 0.00 0.00 0.00 179.97 181.33 3bkt h ILE 71 N 1.27 1.30 -0.56 2.04 2.04 -1.00 0.48 117.51 123.08 3bkt h ILE 71 Ca 0.34 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3bkt h ILE 71 Cb -0.10 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3bkt h ILE 71 CO -0.07 0.47 0.27 0.58 0.00 0.00 0.00 178.15 179.40 3bkt h VAL 72 N 0.44 1.20 -0.70 1.67 2.07 -1.37 -0.74 116.25 118.83 3bkt h VAL 72 Ca 0.04 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3bkt h VAL 72 Cb 0.87 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3bkt h VAL 72 CO 0.07 0.23 0.41 0.28 0.02 0.00 0.00 177.57 178.58 3bkt h SER 73 N 0.76 0.85 -0.75 0.57 0.02 -1.14 -1.51 113.55 112.34 3bkt h SER 73 Ca 0.19 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3bkt h SER 73 Cb 0.11 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 3bkt h SER 73 CO -0.02 0.67 0.41 0.74 -1.14 0.00 0.00 176.83 177.48 3bkt h THR 74 N 0.95 0.90 -0.47 -2.27 2.02 -0.45 -2.29 112.91 111.29 3bkt h THR 74 Ca 0.25 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 3bkt h THR 74 Cb -0.01 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3bkt h THR 74 CO -0.05 0.13 -0.06 1.56 0.37 0.00 0.00 175.52 177.48 3bkt h GLN 75 N 0.70 0.82 0.00 6.66 4.20 -0.54 -2.96 115.11 124.00 3bkt h GLN 75 Ca 0.36 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3bkt h GLN 75 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3bkt h GLN 75 CO -0.24 0.86 -0.37 0.45 -0.67 0.00 0.00 178.83 178.86 3bkt h HIS 76 N 0.75 0.00 0.00 2.96 3.86 -0.77 -1.39 115.15 120.57 3bkt h HIS 76 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3bkt h HIS 76 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3bkt h HIS 76 CO 0.03 0.37 0.00 0.45 0.86 0.00 0.00 177.93 179.64 3bkt h HIS 77 N 0.00 0.00 -0.34 2.45 3.86 -1.25 -1.98 115.15 117.89 3bkt h HIS 77 Ca -0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.94 3bkt h HIS 77 Cb 0.69 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.88 3bkt h HIS 77 CO 0.00 0.00 -0.81 0.72 0.86 0.00 0.00 177.93 178.70 3bkt n HIS 78 N -2.34 1.18 0.27 2.45 8.25 -0.58 -4.99 115.22 119.46 3bkt n HIS 78 Ca -0.01 -1.70 0.15 0.00 -0.26 0.00 0.00 57.72 55.90 3bkt n HIS 78 Cb 0.09 -0.26 0.74 0.00 1.12 0.00 0.00 29.99 31.68 3bkt n HIS 78 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3bkt h HIS 79 N 1.70 0.00 0.00 4.41 -0.00 -0.78 0.17 115.15 120.64 3bkt h HIS 79 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3bkt h HIS 79 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 3bkt h HIS 79 CO 0.65 0.09 0.00 -0.40 -0.00 0.00 0.00 177.93 178.27 3bkt n ASP 80 N -3.38 0.00 0.06 3.10 5.68 -1.26 -2.25 116.55 118.49 3bkt n ASP 80 Ca -0.01 0.04 0.02 0.00 -0.50 0.00 0.00 54.79 54.34 3bkt n ASP 80 Cb 0.26 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 3bkt n ASP 80 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3bkt h LEU 81 N 0.00 0.00 -9.56 -2.12 5.85 -1.18 -3.46 115.31 104.84 3bkt h LEU 81 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 3bkt h LEU 81 Cb 0.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3bkt h LEU 81 CO 0.00 0.46 0.16 -0.55 -0.34 0.00 0.00 178.44 178.17 3bkt s SER 82 N -5.75 7.23 -0.11 1.25 0.15 -0.96 -0.38 113.70 115.13 3bkt s SER 82 Ca -0.02 1.47 -0.09 0.00 0.70 0.00 0.00 55.95 58.01 3bkt s SER 82 Cb 0.09 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3bkt s SER 82 CO 0.80 0.04 -0.18 0.52 1.20 0.00 0.00 173.24 175.62 3bkt n VAL 83 N 2.66 1.06 -3.58 4.45 0.31 0.22 -4.86 118.33 118.58 3bkt n VAL 83 Ca -0.03 0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 3bkt n VAL 83 Cb 0.50 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 3bkt n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bkt s ALA 84 N -2.86 -1.70 -0.03 3.52 0.00 -1.21 -5.03 121.76 114.45 3bkt s ALA 84 Ca -0.15 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.43 3bkt s ALA 84 Cb 0.02 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3bkt s ALA 84 CO 0.23 -0.82 -0.10 0.99 0.00 0.00 0.00 175.76 176.05 3bkt s THR 85 N -3.34 0.90 -0.18 0.00 2.01 -1.26 -1.41 115.64 112.37 3bkt s THR 85 Ca 0.07 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3bkt s THR 85 Cb -0.01 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 3bkt s THR 85 CO -0.06 0.28 0.11 -0.22 -0.69 0.00 0.00 174.62 174.03 3bkt s LEU 86 N 0.19 4.09 -0.08 4.42 2.96 0.10 -4.94 118.68 125.43 3bkt s LEU 86 Ca -0.04 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3bkt s LEU 86 Cb -0.09 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.56 3bkt s LEU 86 CO 0.01 0.22 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.78 3bkt s HIS 87 N 0.11 2.13 -0.06 5.38 5.65 -1.26 -0.82 115.29 126.42 3bkt s HIS 87 Ca 0.08 -0.79 0.03 0.00 0.25 0.00 0.00 55.06 54.63 3bkt s HIS 87 Cb -0.12 -1.44 0.00 0.00 -1.18 0.00 0.00 32.58 29.85 3bkt s HIS 87 CO -0.00 -0.32 -0.16 0.08 -0.65 0.00 0.00 174.74 173.69 3bkt s VAL 88 N 0.31 1.39 -0.71 0.89 1.01 -0.03 -4.99 120.40 118.26 3bkt s VAL 88 Ca -0.13 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3bkt s VAL 88 Cb -0.16 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.10 3bkt s VAL 88 CO 0.06 0.41 0.93 -1.00 0.00 0.00 0.00 175.10 175.50 3bkt s HIS 89 N 0.36 2.90 0.10 5.22 3.76 -1.26 -0.88 115.29 125.49 3bkt s HIS 89 Ca -0.11 -0.91 0.10 0.00 -0.15 0.00 0.00 55.06 53.99 3bkt s HIS 89 Cb -0.14 -4.20 -0.01 0.00 1.11 0.00 0.00 32.58 29.33 3bkt s HIS 89 CO 0.04 -1.50 1.39 -0.84 -0.85 0.00 0.00 174.74 172.98 3bkt h ILE 90 N 5.89 1.47 -2.25 0.60 3.07 -1.73 -3.47 117.51 121.09 3bkt h ILE 90 Ca -0.17 -2.88 -0.02 0.00 1.55 0.00 0.00 64.86 63.34 3bkt h ILE 90 Cb 1.06 2.60 -0.00 0.00 -0.27 0.00 0.00 36.82 40.21 3bkt h ILE 90 CO 1.13 0.79 0.03 -0.46 -1.05 0.00 0.00 178.15 178.60 3bkt n ASN 91 N -3.41 -0.41 0.08 2.16 0.23 -1.19 -4.99 115.26 107.73 3bkt n ASN 91 Ca 0.00 -1.33 0.06 0.00 -0.53 0.00 0.00 54.58 52.78 3bkt n ASN 91 Cb 0.82 0.69 0.50 0.00 -2.08 0.00 0.00 39.78 39.72 3bkt n ASN 91 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 3bkt h HIS 92 N 1.20 0.34 0.00 -2.53 3.86 -2.04 -3.28 115.15 112.70 3bkt h HIS 92 Ca -0.06 0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.83 3bkt h HIS 92 Cb 0.24 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 3bkt h HIS 92 CO 0.00 0.21 -2.27 -0.25 0.86 0.00 0.00 177.93 176.48 3bkt n ASP 93 N -4.49 0.35 -4.54 2.45 8.00 -1.26 -4.99 116.55 112.07 3bkt n ASP 93 Ca 0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 3bkt n ASP 93 Cb 0.09 1.02 -0.12 0.00 -0.02 0.00 0.00 41.12 42.09 3bkt n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bkt s ASP 94 N -5.26 4.40 0.02 -2.24 1.01 -1.24 -2.61 116.67 110.75 3bkt s ASP 94 Ca -0.09 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.13 3bkt s ASP 94 Cb 0.06 -1.07 -0.03 0.00 1.01 0.00 0.00 42.92 42.89 3bkt s ASP 94 CO 0.78 0.35 -0.15 0.00 0.21 0.00 0.00 175.17 176.35 3bkt s LEU 96 N -1.29 2.88 0.00 0.00 2.96 -0.06 -1.31 118.68 121.86 3bkt s LEU 96 Ca 0.14 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3bkt s LEU 96 Cb -0.11 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3bkt s LEU 96 CO 0.05 0.05 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.35 3bkt s GLU 97 N 1.04 1.30 -0.20 1.98 2.02 -0.29 -0.85 118.70 123.69 3bkt s GLU 97 Ca 0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 3bkt s GLU 97 Cb -0.15 -1.28 0.05 0.00 0.10 0.00 0.00 34.13 32.86 3bkt s GLU 97 CO -0.00 0.34 -0.03 0.42 0.02 0.00 0.00 175.26 176.01 3bkt s ILE 98 N -0.49 1.12 -0.21 -1.63 1.09 0.00 -1.34 121.20 119.75 3bkt s ILE 98 Ca 0.06 -0.85 -0.11 0.00 -1.10 0.00 0.00 60.65 58.65 3bkt s ILE 98 Cb -0.07 -1.42 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 3bkt s ILE 98 CO -0.00 -0.06 0.17 0.00 -0.10 0.00 0.00 174.94 174.96 3bkt s ALA 99 N 1.60 3.65 -0.18 9.38 0.00 0.32 -0.72 121.76 135.81 3bkt s ALA 99 Ca -0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 3bkt s ALA 99 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3bkt s ALA 99 CO -0.07 0.03 0.31 0.08 0.00 0.00 0.00 175.76 176.10 3bkt s VAL 100 N 0.62 5.29 0.16 0.00 1.01 -0.50 -0.82 120.40 126.15 3bkt s VAL 100 Ca 0.10 0.55 0.11 0.00 0.00 0.00 0.00 61.98 62.74 3bkt s VAL 100 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3bkt s VAL 100 CO 0.01 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 3bkt s LEU 101 N 0.73 2.50 -0.07 3.92 1.43 0.16 -0.61 118.68 126.73 3bkt s LEU 101 Ca 0.16 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3bkt s LEU 101 Cb -0.13 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.82 3bkt s LEU 101 CO 0.05 0.15 0.15 -0.75 0.23 0.00 0.00 176.35 176.18 3bkt s LYS 102 N -2.38 0.06 0.00 1.70 2.20 0.49 -0.99 119.74 120.82 3bkt s LYS 102 Ca 0.18 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 3bkt s LYS 102 Cb -0.09 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 3bkt s LYS 102 CO 0.09 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3bkt n GLY 103 N 4.71 0.06 3.73 5.54 0.00 0.07 -4.48 105.19 114.81 3bkt n GLY 103 Ca -0.17 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3bkt n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bkt s ASP 104 N -4.00 7.00 0.55 1.61 -1.08 -1.26 -0.79 116.67 118.70 3bkt s ASP 104 Ca 0.00 2.21 0.33 0.00 -0.52 0.00 0.00 52.55 54.57 3bkt s ASP 104 Cb 0.00 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 40.35 3bkt s ASP 104 CO 0.00 -0.48 2.04 -0.03 0.52 0.00 0.00 175.17 177.22 3bkt h MET 105 N 6.06 0.00 -0.11 4.34 1.85 -1.43 -2.02 114.93 123.62 3bkt h MET 105 Ca -0.43 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.58 3bkt h MET 105 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 3bkt h MET 105 CO 0.79 0.06 -0.25 0.78 -0.40 0.00 0.00 176.91 177.90 3bkt h GLY 106 N 1.48 0.40 0.60 1.39 0.00 -1.92 -3.04 103.07 101.97 3bkt h GLY 106 Ca -0.00 -0.48 0.13 0.00 0.00 0.00 0.00 47.33 46.98 3bkt h GLY 106 CO 0.01 0.43 0.56 -0.55 0.00 0.00 0.00 176.54 176.99 3bkt h ASP 107 N -0.07 0.66 -0.52 0.19 3.32 -1.83 -2.84 116.42 115.33 3bkt h ASP 107 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3bkt h ASP 107 Cb 0.84 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3bkt h ASP 107 CO 0.05 0.35 0.29 0.58 -1.72 0.00 0.00 179.24 178.80 3bkt h VAL 108 N 0.70 1.17 -0.01 -1.35 2.07 -1.30 -1.24 116.25 116.30 3bkt h VAL 108 Ca 0.43 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3bkt h VAL 108 Cb 0.65 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3bkt h VAL 108 CO -0.19 0.18 -0.44 -0.61 0.02 0.00 0.00 177.57 176.53 3bkt h GLN 109 N 0.70 0.01 -0.27 1.57 5.75 -1.40 0.57 115.11 122.04 3bkt h GLN 109 Ca 0.18 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3bkt h GLN 109 Cb 0.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3bkt h GLN 109 CO -0.03 0.45 -0.04 0.45 -2.65 0.00 0.00 178.83 177.01 3bkt h HIS 110 N 0.01 0.55 0.22 3.99 3.86 -1.32 0.13 115.15 122.60 3bkt h HIS 110 Ca -0.00 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3bkt h HIS 110 Cb 0.79 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 3bkt h HIS 110 CO 0.00 0.69 -0.25 0.35 0.86 0.00 0.00 177.93 179.58 3bkt h PHE 111 N 0.26 -0.66 -0.96 2.45 3.04 -0.94 -1.17 116.94 118.95 3bkt h PHE 111 Ca 0.07 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.07 3bkt h PHE 111 Cb 0.50 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.21 3bkt h PHE 111 CO 0.05 -0.36 0.63 0.00 -2.02 0.00 0.00 178.31 176.60 3bkt h ALA 112 N 0.16 1.39 0.11 2.41 0.00 -0.81 -2.14 119.26 120.37 3bkt h ALA 112 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3bkt h ALA 112 Cb 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bkt h ALA 112 CO -0.07 0.51 -0.05 0.38 0.00 0.00 0.00 179.25 180.02 3bkt h ASP 113 N 1.20 -0.12 -0.56 0.00 3.04 -0.57 0.74 116.42 120.16 3bkt h ASP 113 Ca 0.38 -0.04 0.13 0.00 -3.24 0.00 0.00 57.03 54.26 3bkt h ASP 113 Cb 0.02 0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 38.31 3bkt h ASP 113 CO -0.12 -0.04 0.39 -2.24 -2.04 0.00 0.00 179.24 175.19 3bkt h ASP 114 N -0.20 0.19 0.00 4.15 2.03 -0.88 -1.16 116.42 120.56 3bkt h ASP 114 Ca -0.01 0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 56.15 3bkt h ASP 114 Cb 0.16 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.60 3bkt h ASP 114 CO 0.02 0.11 -0.91 0.58 -1.03 0.00 0.00 179.24 178.01 3bkt h VAL 115 N 0.21 0.70 0.04 4.15 2.07 -1.09 -3.41 116.25 118.92 3bkt h VAL 115 Ca 0.27 -1.83 -0.28 0.00 0.82 0.00 0.00 66.70 65.68 3bkt h VAL 115 Cb 0.77 1.63 0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3bkt h VAL 115 CO -0.05 0.24 -1.12 0.40 0.02 0.00 0.00 177.57 177.06 3bkt h ILE 116 N -1.00 1.28 0.00 4.57 2.04 0.62 -3.08 117.51 121.94 3bkt h ILE 116 Ca -0.22 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.32 3bkt h ILE 116 Cb 1.02 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3bkt h ILE 116 CO -0.13 0.72 0.00 0.00 0.00 0.00 0.00 178.15 178.74 3bkt n ALA 117 N -2.66 2.27 -1.79 1.87 0.00 -0.45 -4.74 120.51 115.01 3bkt n ALA 117 Ca -0.12 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 3bkt n ALA 117 Cb 0.92 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 3bkt n ALA 117 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bkt s GLN 118 N -2.00 4.32 0.06 0.00 -0.21 -1.17 -5.03 119.66 115.64 3bkt s GLN 118 Ca 0.23 1.33 -0.31 0.00 0.02 0.00 0.00 55.36 56.63 3bkt s GLN 118 Cb 0.10 -2.52 -0.07 0.00 1.00 0.00 0.00 33.01 31.53 3bkt s GLN 118 CO 0.17 0.03 1.38 -0.98 -2.12 0.00 0.00 175.29 173.78 3bkt s ARG 119 N -2.54 4.31 0.00 2.91 1.04 -1.26 -2.60 118.95 120.81 3bkt s ARG 119 Ca 0.56 2.01 0.00 0.00 -1.04 0.00 0.00 55.73 57.26 3bkt s ARG 119 Cb -0.17 -3.40 0.00 0.00 -2.04 0.00 0.00 34.95 29.34 3bkt s ARG 119 CO 0.22 -0.48 0.00 0.41 -0.04 0.00 0.00 175.30 175.41 3bkt n GLY 120 N 3.54 2.49 3.68 3.88 0.00 -1.26 -5.07 105.19 112.45 3bkt n GLY 120 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3bkt n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkt s VAL 121 N -2.48 5.04 0.29 1.61 1.01 -1.07 -4.25 120.40 120.56 3bkt s VAL 121 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.30 3bkt s VAL 121 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3bkt s VAL 121 CO 0.00 0.17 -0.07 -0.13 0.00 0.00 0.00 175.10 175.07 3bkt s ARG 122 N 1.49 1.62 -1.42 2.72 3.00 0.59 -4.81 118.95 122.15 3bkt s ARG 122 Ca 0.31 -1.82 -0.01 0.00 0.00 0.00 0.00 55.73 54.20 3bkt s ARG 122 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 34.95 33.50 3bkt s ARG 122 CO 0.12 0.07 0.12 0.72 0.00 0.00 0.00 175.30 176.33 3bkt n HIS 123 N -0.63 -1.37 -2.16 -0.53 8.25 -1.26 -0.64 115.22 116.88 3bkt n HIS 123 Ca -0.05 0.11 -0.40 0.00 -0.26 0.00 0.00 57.72 57.12 3bkt n HIS 123 Cb 0.63 -3.47 -0.02 0.00 1.12 0.00 0.00 29.99 28.26 3bkt n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bkt s GLY 124 N -2.19 2.98 -0.19 -1.41 0.00 -1.26 -4.13 107.32 101.13 3bkt s GLY 124 Ca 0.07 1.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.87 3bkt s GLY 124 CO 0.09 1.80 0.46 -1.58 0.00 0.00 0.00 173.10 173.87 3bkt s HIS 125 N -1.20 -0.67 -0.17 1.90 2.46 -0.11 -4.99 115.29 112.51 3bkt s HIS 125 Ca 0.51 1.42 -0.03 0.00 0.47 0.00 0.00 55.06 57.43 3bkt s HIS 125 Cb -0.38 0.32 -0.02 0.00 -0.13 0.00 0.00 32.58 32.38 3bkt s HIS 125 CO 0.49 -0.37 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.17 3bkt s LEU 126 N 1.36 3.04 -0.23 8.88 2.96 -1.26 -1.29 118.68 132.14 3bkt s LEU 126 Ca -0.09 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3bkt s LEU 126 Cb -0.07 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3bkt s LEU 126 CO -0.13 0.11 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.84 3bkt s GLN 127 N 0.74 3.15 -0.03 1.98 -0.21 0.12 -4.99 119.66 120.41 3bkt s GLN 127 Ca -0.02 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 3bkt s GLN 127 Cb -0.15 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 3bkt s GLN 127 CO 0.02 -0.27 0.37 0.00 -2.12 0.00 0.00 175.29 173.29 3bkt n LEU 129 N 2.05 2.48 -4.75 0.00 4.77 0.95 -4.98 117.00 117.53 3bkt n LEU 129 Ca -0.14 -5.13 -0.37 0.00 -0.03 0.00 0.00 56.01 50.33 3bkt n LEU 129 Cb 0.53 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3bkt n LEU 129 CO 0.37 1.95 0.91 -2.16 -1.33 0.00 0.00 177.39 177.14 3bkt s PRO 130 N -1.70 2.94 0.00 3.23 0.04 -1.26 -1.72 135.00 136.53 3bkt s PRO 130 Ca 0.34 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3bkt s PRO 130 Cb 0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3bkt s PRO 130 CO -0.09 -1.29 0.23 0.36 0.04 0.00 0.00 177.00 176.24