#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfa n ASN 56 N 0.00 0.18 -3.99 -3.46 5.15 -1.26 -4.81 115.26 107.08 1rfa n ASN 56 Ca 0.00 -1.84 -0.19 0.00 -0.60 0.00 0.00 54.58 51.94 1rfa n ASN 56 Cb 0.00 -0.15 -0.15 0.00 -0.53 0.00 0.00 39.78 38.95 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1rfa s THR 57 N 0.00 0.69 0.07 -0.44 -4.23 -1.26 -2.34 115.64 108.13 1rfa s THR 57 Ca 0.09 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 1rfa s THR 57 Cb 0.11 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 1rfa s THR 57 CO -0.05 0.22 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.54 1rfa s ILE 58 N 0.17 0.70 0.12 2.99 1.09 -0.34 -0.32 121.20 125.61 1rfa s ILE 58 Ca -0.02 -1.40 0.03 0.00 -1.10 0.00 0.00 60.65 58.16 1rfa s ILE 58 Cb -0.08 -1.04 -0.04 0.00 -1.06 0.00 0.00 42.46 40.25 1rfa s ILE 58 CO 0.00 -0.52 0.13 -0.13 -0.10 0.00 0.00 174.94 174.33 1rfa s ARG 59 N -2.34 3.00 -0.20 2.79 3.00 -1.11 -0.47 118.95 123.62 1rfa s ARG 59 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 55.73 55.00 1rfa s ARG 59 Cb -0.05 -2.75 0.05 0.00 0.00 0.00 0.00 34.95 32.19 1rfa s ARG 59 CO -0.01 0.54 -0.08 0.08 0.00 0.00 0.00 175.30 175.83 1rfa s VAL 60 N -1.57 1.51 -0.02 3.52 1.01 0.94 0.96 120.40 126.76 1rfa s VAL 60 Ca 0.31 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1rfa s VAL 60 Cb -0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1rfa s VAL 60 CO 0.24 0.11 0.25 -0.36 0.00 0.00 0.00 175.10 175.34 1rfa s PHE 61 N 1.45 3.59 0.54 5.22 0.40 0.06 -1.62 117.98 127.62 1rfa s PHE 61 Ca -0.02 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 1rfa s PHE 61 Cb -0.16 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.40 1rfa s PHE 61 CO -0.08 0.64 0.76 -0.51 0.70 0.00 0.00 175.22 176.74 1rfa s LEU 62 N -1.56 3.30 0.00 -0.37 2.01 0.15 -1.10 118.68 121.10 1rfa s LEU 62 Ca 0.25 -0.02 0.29 0.00 0.01 0.00 0.00 54.13 54.65 1rfa s LEU 62 Cb -0.13 -2.87 1.26 0.00 0.01 0.00 0.00 46.19 44.46 1rfa s LEU 62 CO 0.14 -1.12 1.88 -2.65 1.01 0.00 0.00 176.35 175.61 1rfa n PRO 63 N -2.32 0.57 -0.22 1.29 -0.02 -1.19 -0.85 135.00 132.27 1rfa n PRO 63 Ca 0.08 -0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1rfa n PRO 63 Cb 0.60 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.73 1rfa n PRO 63 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rfa n ASN 64 N -1.07 2.07 0.00 2.55 4.13 -1.26 -4.84 115.26 116.84 1rfa n ASN 64 Ca 0.14 -2.09 0.00 0.00 1.68 0.00 0.00 54.58 54.31 1rfa n ASN 64 Cb 0.27 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1rfa n LYS 65 N 0.43 0.00 -1.13 3.52 4.76 -0.03 -4.99 118.16 120.72 1rfa n LYS 65 Ca 0.11 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.45 1rfa n LYS 65 Cb 0.37 -2.86 0.06 0.00 -1.84 0.00 0.00 35.03 30.76 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1rfa n GLN 66 N -2.92 -0.04 -3.62 1.97 1.13 -1.24 -4.66 117.38 108.00 1rfa n GLN 66 Ca 0.00 -0.98 -0.09 0.00 -1.94 0.00 0.00 57.00 53.99 1rfa n GLN 66 Cb 0.00 -0.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.94 1rfa n GLN 66 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1rfa s ARG 67 N -3.78 1.36 0.00 -1.09 3.03 -1.25 0.31 118.95 117.53 1rfa s ARG 67 Ca 0.28 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.40 1rfa s ARG 67 Cb -0.01 0.54 0.00 0.00 -1.03 0.00 0.00 34.95 34.44 1rfa s ARG 67 CO 0.19 -0.61 0.00 -2.37 -1.13 0.00 0.00 175.30 171.38 1rfa n THR 68 N -0.40 0.00 -4.88 4.99 5.66 -0.64 -4.92 114.28 114.09 1rfa n THR 68 Ca -0.10 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.60 1rfa n THR 68 Cb 0.62 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.25 1rfa n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rfa s VAL 69 N -2.00 2.10 0.10 1.08 0.11 -1.26 -0.04 120.40 120.49 1rfa s VAL 69 Ca 0.00 -1.38 0.03 0.00 -2.93 0.00 0.00 61.98 57.70 1rfa s VAL 69 Cb 0.00 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1rfa s VAL 69 CO 0.00 0.35 -0.08 0.68 -3.33 0.00 0.00 175.10 172.72 1rfa s VAL 70 N -0.81 0.82 0.16 2.04 -7.23 0.38 -4.93 120.40 110.83 1rfa s VAL 70 Ca 0.11 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1rfa s VAL 70 Cb -0.10 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1rfa s VAL 70 CO 0.02 -0.76 -0.04 0.20 -0.31 0.00 0.00 175.10 174.21 1rfa s ASN 71 N -2.87 4.60 0.44 4.85 0.01 -1.26 -1.20 114.94 119.51 1rfa s ASN 71 Ca 0.10 -0.42 0.05 0.00 -0.71 0.00 0.00 52.86 51.88 1rfa s ASN 71 Cb 0.02 -0.93 0.05 0.00 0.41 0.00 0.00 41.25 40.81 1rfa s ASN 71 CO -0.03 0.11 0.42 0.55 -1.51 0.00 0.00 177.10 176.65 1rfa n VAL 72 N 0.11 0.00 -0.36 1.60 3.14 -0.99 -4.96 118.33 116.87 1rfa n VAL 72 Ca -0.11 -1.63 0.00 0.00 -2.96 0.00 0.00 64.34 59.64 1rfa n VAL 72 Cb 0.54 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 1rfa n VAL 72 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rfa n ARG 73 N -1.66 0.00 0.00 1.45 3.00 -1.26 -5.00 116.66 113.18 1rfa n ARG 73 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 1rfa n ARG 73 Cb 0.48 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.06 1rfa n ARG 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1rfa n ASN 74 N 0.00 1.39 -2.76 6.15 6.94 -1.26 -4.55 115.26 121.17 1rfa n ASN 74 Ca 0.00 -1.11 -0.04 0.00 -0.02 0.00 0.00 54.58 53.41 1rfa n ASN 74 Cb 0.00 0.44 0.01 0.00 -2.36 0.00 0.00 39.78 37.88 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rfa n GLY 75 N 1.42 -0.51 1.62 4.83 0.00 -1.26 -4.97 105.19 106.32 1rfa n GLY 75 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1rfa n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rfa n MET 76 N 2.79 0.00 0.00 1.61 2.81 -1.26 -4.95 117.12 118.11 1rfa n MET 76 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1rfa n MET 76 Cb 0.57 -0.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 1rfa n MET 76 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1rfa n SER 77 N -2.81 -0.14 -0.12 7.83 7.64 -1.26 0.22 113.62 124.99 1rfa n SER 77 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1rfa n SER 77 Cb 0.17 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 1rfa n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfa n LEU 78 N 0.00 1.94 -0.02 -3.43 7.99 -0.90 -4.04 117.00 118.54 1rfa n LEU 78 Ca 0.00 0.36 -0.11 0.00 -0.01 0.00 0.00 56.01 56.24 1rfa n LEU 78 Cb 0.00 -0.82 -0.06 0.00 -0.11 0.00 0.00 43.42 42.42 1rfa n LEU 78 CO 0.00 0.34 0.82 0.45 -1.51 0.00 0.00 177.39 177.49 1rfa h HIS 79 N -1.00 0.17 0.00 -1.77 3.86 -1.09 0.98 115.15 116.31 1rfa h HIS 79 Ca -0.51 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 1rfa h HIS 79 Cb 1.42 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1rfa h HIS 79 CO -0.14 0.28 0.00 -0.44 0.86 0.00 0.00 177.93 178.50 1rfa h ASP 80 N 0.01 0.00 1.04 2.45 3.32 -1.75 0.69 116.42 122.18 1rfa h ASP 80 Ca 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1rfa h ASP 80 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1rfa h ASP 80 CO -0.00 0.00 -1.02 0.00 -1.72 0.00 0.00 179.24 176.50 1rfa n LEU 82 N -3.08 0.00 0.03 0.00 4.77 0.33 -3.72 117.00 115.33 1rfa n LEU 82 Ca -0.04 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.13 1rfa n LEU 82 Cb 0.82 0.07 0.71 0.00 -2.33 0.00 0.00 43.42 42.68 1rfa n LEU 82 CO 0.42 0.07 1.18 -0.03 -1.33 0.00 0.00 177.39 177.70 1rfa h MET 83 N 0.00 0.00 0.87 3.23 4.05 0.29 0.78 114.93 124.15 1rfa h MET 83 Ca -0.07 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1rfa h MET 83 Cb 1.11 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1rfa h MET 83 CO 0.00 0.00 -0.45 0.87 0.23 0.00 0.00 176.91 177.56 1rfa h LYS 84 N 0.00 -1.17 0.00 0.39 6.56 -1.67 0.33 116.57 121.01 1rfa h LYS 84 Ca 0.23 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1rfa h LYS 84 Cb 0.95 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1rfa h LYS 84 CO -0.00 -0.78 0.00 0.00 -2.06 0.00 0.00 179.45 176.61 1rfa h ALA 85 N -1.11 1.00 0.00 3.86 0.00 0.32 -0.90 119.26 122.42 1rfa h ALA 85 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rfa h ALA 85 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rfa h ALA 85 CO 0.17 0.00 -1.38 1.28 0.00 0.00 0.00 179.25 179.32 1rfa n LEU 86 N -2.81 0.00 -0.03 0.00 4.77 0.13 -4.09 117.00 114.98 1rfa n LEU 86 Ca 0.00 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1rfa n LEU 86 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1rfa n LEU 86 CO 0.23 0.00 0.90 0.50 -1.33 0.00 0.00 177.39 177.70 1rfa h LYS 87 N 0.00 0.14 0.00 3.23 3.11 0.96 1.33 116.57 125.34 1rfa h LYS 87 Ca 0.00 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1rfa h LYS 87 Cb 0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1rfa h LYS 87 CO 0.00 0.09 -0.09 -0.24 -2.81 0.00 0.00 179.45 176.40 1rfa h VAL 88 N 0.14 0.93 0.09 2.00 3.04 -1.46 -2.66 116.25 118.33 1rfa h VAL 88 Ca 0.07 -0.32 -0.22 0.00 -1.01 0.00 0.00 66.70 65.22 1rfa h VAL 88 Cb 0.04 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1rfa h VAL 88 CO -0.08 0.09 -1.10 0.03 -1.01 0.00 0.00 177.57 175.50 1rfa h ARG 89 N 0.00 0.19 0.00 4.17 2.47 -1.53 -3.48 114.38 116.20 1rfa h ARG 89 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1rfa h ARG 89 Cb 0.17 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1rfa h ARG 89 CO 0.01 1.15 0.00 0.41 0.56 0.00 0.00 179.97 182.10 1rfa n GLY 90 N 1.67 1.71 3.76 0.04 0.00 0.40 -5.08 105.19 107.69 1rfa n GLY 90 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1rfa n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfa s LEU 91 N 0.00 3.22 -0.01 0.99 1.43 0.17 -5.01 118.68 119.47 1rfa s LEU 91 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1rfa s LEU 91 Cb 0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1rfa s LEU 91 CO 0.00 -0.45 -0.02 0.00 0.23 0.00 0.00 176.35 176.11 1rfa s GLN 92 N -3.92 2.76 -0.02 1.70 0.00 -1.26 -4.47 119.66 114.46 1rfa s GLN 92 Ca 0.41 -0.60 0.22 0.00 -0.00 0.00 0.00 55.36 55.38 1rfa s GLN 92 Cb -0.00 -2.65 -0.30 0.00 0.00 0.00 0.00 33.01 30.06 1rfa s GLN 92 CO 0.23 0.63 0.57 -0.35 0.00 0.00 0.00 175.29 176.38 1rfa n PRO 93 N 1.56 0.55 0.13 9.60 -0.04 -1.26 -4.16 135.00 141.38 1rfa n PRO 93 Ca -0.15 -0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.28 1rfa n PRO 93 Cb 0.53 -1.53 0.44 0.00 -0.04 0.00 0.00 33.50 32.90 1rfa n PRO 93 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rfa h GLU 94 N 0.00 0.00 -0.51 0.54 3.07 -1.99 -0.57 114.58 115.12 1rfa h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rfa h GLU 94 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1rfa h GLU 94 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1rfa s ALA 97 N -2.81 1.69 0.15 0.00 0.00 0.19 -4.74 121.76 116.24 1rfa s ALA 97 Ca 0.34 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1rfa s ALA 97 Cb 0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1rfa s ALA 97 CO 0.17 0.29 0.19 0.54 0.00 0.00 0.00 175.76 176.95 1rfa s VAL 98 N 0.09 4.81 0.21 0.00 0.11 -1.26 0.96 120.40 125.32 1rfa s VAL 98 Ca -0.06 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 57.99 1rfa s VAL 98 Cb -0.13 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.24 1rfa s VAL 98 CO 0.03 -0.09 0.31 -0.36 -3.33 0.00 0.00 175.10 171.66 1rfa s PHE 99 N -1.73 0.66 0.07 1.54 0.40 0.12 -2.35 117.98 116.70 1rfa s PHE 99 Ca 0.32 -0.98 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1rfa s PHE 99 Cb -0.11 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1rfa s PHE 99 CO 0.25 -0.81 -0.04 0.50 0.70 0.00 0.00 175.22 175.83 1rfa s ARG 100 N -4.06 2.46 0.85 0.44 3.52 0.24 -1.19 118.95 121.20 1rfa s ARG 100 Ca 0.27 -0.85 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 1rfa s ARG 100 Cb 0.03 -2.48 0.20 0.00 -1.56 0.00 0.00 34.95 31.13 1rfa s ARG 100 CO 0.08 0.55 1.14 1.28 -0.81 0.00 0.00 175.30 177.54 1rfa n LEU 101 N 0.81 0.00 -4.47 -0.88 4.77 -0.66 0.12 117.00 116.70 1rfa n LEU 101 Ca -0.12 -1.25 -0.44 0.00 -0.03 0.00 0.00 56.01 54.17 1rfa n LEU 101 Cb 0.52 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1rfa n LEU 101 CO 0.36 -1.34 1.24 -1.48 -1.33 0.00 0.00 177.39 174.84 1rfa s LEU 102 N 0.00 4.94 0.01 2.23 0.05 -1.26 -4.42 118.68 120.23 1rfa s LEU 102 Ca 0.65 -2.49 0.23 0.00 0.05 0.00 0.00 54.13 52.57 1rfa s LEU 102 Cb -0.02 -2.41 0.17 0.00 -2.05 0.00 0.00 46.19 41.88 1rfa s LEU 102 CO 0.46 -0.94 1.16 1.41 -0.55 0.00 0.00 176.35 177.89 1rfa n HIS 103 N 6.30 0.08 -2.43 3.48 8.25 -1.26 -4.11 115.22 125.52 1rfa n HIS 103 Ca 0.31 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1rfa n HIS 103 Cb 0.46 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.34 1rfa n HIS 103 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rfa n GLU 104 N -1.63 0.31 -4.28 -0.41 4.71 -1.26 -5.10 120.64 112.97 1rfa n GLU 104 Ca 0.04 -1.89 -0.17 0.00 -0.01 0.00 0.00 57.16 55.13 1rfa n GLU 104 Cb 0.36 -0.06 -0.09 0.00 -1.01 0.00 0.00 31.44 30.64 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1rfa s HIS 105 N -0.49 1.52 -0.21 -0.32 3.76 -1.26 -5.08 115.29 113.21 1rfa s HIS 105 Ca 0.23 -1.46 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 1rfa s HIS 105 Cb 0.28 -0.73 -0.11 0.00 1.11 0.00 0.00 32.58 33.14 1rfa s HIS 105 CO -0.11 -0.66 -0.24 1.63 -0.85 0.00 0.00 174.74 174.51 1rfa n LYS 106 N -0.50 0.48 -2.75 1.40 4.76 -1.26 -4.83 118.16 115.46 1rfa n LYS 106 Ca 0.03 0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 1rfa n LYS 106 Cb 0.64 -1.33 0.09 0.00 -1.84 0.00 0.00 35.03 32.59 1rfa n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rfa n GLY 107 N 2.04 1.23 3.48 0.72 0.00 -1.26 -5.06 105.19 106.33 1rfa n GLY 107 Ca -0.40 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1rfa n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfa s LYS 108 N -0.26 0.64 -0.01 1.61 1.02 -1.26 -5.15 119.74 116.33 1rfa s LYS 108 Ca 0.24 0.89 -0.04 0.00 0.02 0.00 0.00 55.97 57.08 1rfa s LYS 108 Cb 0.35 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.85 1rfa s LYS 108 CO -0.06 -0.11 0.21 0.15 -0.92 0.00 0.00 175.35 174.62 1rfa s LYS 109 N 0.77 3.49 -0.24 1.68 1.02 -1.26 -4.16 119.74 121.04 1rfa s LYS 109 Ca -0.04 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 55.50 1rfa s LYS 109 Cb -0.05 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1rfa s LYS 109 CO -0.06 0.67 0.79 0.00 -0.92 0.00 0.00 175.35 175.83 1rfa s ALA 110 N -1.30 3.64 0.18 5.17 0.00 0.12 -4.87 121.76 124.70 1rfa s ALA 110 Ca 0.26 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1rfa s ALA 110 Cb -0.13 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1rfa s ALA 110 CO 0.17 -0.89 0.59 0.50 0.00 0.00 0.00 175.76 176.13 1rfa s ARG 111 N 2.74 3.98 0.38 0.00 3.00 -1.26 0.81 118.95 128.60 1rfa s ARG 111 Ca 0.33 0.51 0.01 0.00 -1.00 0.00 0.00 55.73 55.58 1rfa s ARG 111 Cb -0.15 -2.83 -0.00 0.00 0.00 0.00 0.00 34.95 31.96 1rfa s ARG 111 CO 0.08 0.41 0.02 1.28 0.00 0.00 0.00 175.30 177.10 1rfa n LEU 112 N 0.53 0.00 -4.97 -0.88 4.77 -0.99 -4.88 117.00 110.58 1rfa n LEU 112 Ca -0.03 -2.47 -0.26 0.00 -0.03 0.00 0.00 56.01 53.22 1rfa n LEU 112 Cb 0.52 0.39 0.13 0.00 -2.33 0.00 0.00 43.42 42.13 1rfa n LEU 112 CO 0.43 -0.36 0.66 -0.62 -1.33 0.00 0.00 177.39 176.18 1rfa s ASP 113 N -3.12 3.95 0.00 -1.43 2.15 -1.26 -4.77 116.67 112.19 1rfa s ASP 113 Ca 0.04 -0.11 0.13 0.00 0.43 0.00 0.00 52.55 53.03 1rfa s ASP 113 Cb 0.00 -0.17 0.19 0.00 -0.30 0.00 0.00 42.92 42.64 1rfa s ASP 113 CO 0.02 -2.15 1.04 0.79 -0.17 0.00 0.00 175.17 174.71 1rfa n TRP 114 N -3.16 0.19 -1.55 -5.34 5.03 -1.26 -3.75 117.44 107.60 1rfa n TRP 114 Ca 0.15 -0.17 0.07 0.00 3.03 0.00 0.00 57.50 60.57 1rfa n TRP 114 Cb 0.60 -0.01 0.14 0.00 -1.03 0.00 0.00 31.31 31.01 1rfa n TRP 114 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 1rfa n ASN 115 N 0.70 1.69 -4.77 -0.99 5.15 -1.26 -0.64 115.26 115.13 1rfa n ASN 115 Ca 0.09 -3.18 -0.37 0.00 -0.60 0.00 0.00 54.58 50.52 1rfa n ASN 115 Cb 0.37 -0.43 -0.01 0.00 -0.53 0.00 0.00 39.78 39.17 1rfa n ASN 115 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1rfa s THR 116 N -2.39 3.19 -0.78 -0.44 2.01 -1.25 -4.19 115.64 111.79 1rfa s THR 116 Ca 0.31 0.88 -0.25 0.00 0.31 0.00 0.00 61.69 62.94 1rfa s THR 116 Cb 0.30 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1rfa s THR 116 CO -0.04 -0.03 1.75 -0.62 -0.69 0.00 0.00 174.62 175.00 1rfa s ASP 117 N -1.43 5.52 0.29 3.53 2.15 -1.26 -2.12 116.67 123.36 1rfa s ASP 117 Ca 0.64 -0.36 0.23 0.00 0.43 0.00 0.00 52.55 53.49 1rfa s ASP 117 Cb -0.27 -2.55 1.08 0.00 -0.30 0.00 0.00 42.92 40.88 1rfa s ASP 117 CO 0.33 -2.31 1.70 0.00 -0.17 0.00 0.00 175.17 174.72 1rfa n ALA 118 N 12.15 1.38 1.43 3.66 0.00 -1.26 0.24 120.51 138.12 1rfa n ALA 118 Ca 0.26 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.98 1rfa n ALA 118 Cb 0.50 -1.36 0.73 0.00 0.00 0.00 0.00 19.45 19.32 1rfa n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfa n ALA 119 N -1.78 2.42 0.57 0.00 0.00 -1.26 -1.03 120.51 119.42 1rfa n ALA 119 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1rfa n ALA 119 Cb 0.14 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1rfa n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rfa n SER 120 N -1.21 0.82 -1.30 0.00 2.88 0.14 -3.84 113.62 111.11 1rfa n SER 120 Ca 0.15 -0.62 0.08 0.00 -1.33 0.00 0.00 58.87 57.15 1rfa n SER 120 Cb 0.18 1.28 0.31 0.00 -0.75 0.00 0.00 64.21 65.23 1rfa n SER 120 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rfa n LEU 121 N -1.66 4.49 -4.75 2.46 7.99 -0.20 -4.99 117.00 120.33 1rfa n LEU 121 Ca 0.01 -2.74 -0.41 0.00 -0.01 0.00 0.00 56.01 52.87 1rfa n LEU 121 Cb 0.35 -0.55 -0.04 0.00 -0.11 0.00 0.00 43.42 43.07 1rfa n LEU 121 CO 0.37 0.70 0.84 -0.51 -1.51 0.00 0.00 177.39 177.29 1rfa s ILE 122 N -2.36 3.39 0.00 -0.08 1.10 -0.54 -2.85 121.20 119.86 1rfa s ILE 122 Ca 0.46 1.33 0.00 0.00 -0.51 0.00 0.00 60.65 61.93 1rfa s ILE 122 Cb 0.33 -3.85 0.00 0.00 0.15 0.00 0.00 42.46 39.10 1rfa s ILE 122 CO 0.15 0.29 0.00 0.61 -2.11 0.00 0.00 174.94 173.88 1rfa n GLY 123 N 1.41 0.70 0.00 1.50 0.00 0.57 -4.67 105.19 104.70 1rfa n GLY 123 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1rfa n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rfa n GLU 124 N -0.78 0.44 -4.92 1.61 -0.58 -1.13 -5.04 120.64 110.24 1rfa n GLU 124 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1rfa n GLU 124 Cb 0.45 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.15 1rfa n GLU 124 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1rfa s GLU 125 N -1.06 2.38 0.35 3.49 2.02 -1.26 -2.74 118.70 121.88 1rfa s GLU 125 Ca 0.00 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.41 1rfa s GLU 125 Cb 0.00 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1rfa s GLU 125 CO 0.00 0.12 0.32 -0.51 0.02 0.00 0.00 175.26 175.21 1rfa s LEU 126 N 0.47 3.61 0.05 1.80 1.43 0.27 -1.65 118.68 124.65 1rfa s LEU 126 Ca -0.16 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1rfa s LEU 126 Cb -0.17 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1rfa s LEU 126 CO 0.06 -0.40 0.20 -1.58 0.23 0.00 0.00 176.35 174.87 1rfa s GLN 127 N -4.03 0.74 0.04 1.70 0.74 -0.34 -0.76 119.66 117.75 1rfa s GLN 127 Ca 0.42 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 55.22 1rfa s GLN 127 Cb -0.06 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 1rfa s GLN 127 CO 0.27 -0.22 -0.25 0.08 -0.55 0.00 0.00 175.29 174.62 1rfa s VAL 128 N -2.88 2.23 0.33 1.34 1.01 -0.26 0.15 120.40 122.32 1rfa s VAL 128 Ca -0.03 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.65 1rfa s VAL 128 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1rfa s VAL 128 CO -0.06 0.38 0.13 -0.62 0.00 0.00 0.00 175.10 174.94 1rfa s ASP 129 N -1.21 2.00 0.23 3.32 -1.08 0.27 -3.19 116.67 117.00 1rfa s ASP 129 Ca 0.12 -1.55 -0.03 0.00 -0.52 0.00 0.00 52.55 50.57 1rfa s ASP 129 Cb -0.10 0.33 -0.05 0.00 -1.46 0.00 0.00 42.92 41.64 1rfa s ASP 129 CO 0.02 -0.84 0.45 -0.36 0.52 0.00 0.00 175.17 174.96 1rfa s PHE 130 N -3.46 3.48 0.00 -5.34 0.08 -1.26 0.53 117.98 112.01 1rfa s PHE 130 Ca 0.33 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1rfa s PHE 130 Cb 0.05 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1rfa s PHE 130 CO 0.16 0.31 0.00 1.28 -0.10 0.00 0.00 175.22 176.87 1rfa n LEU 131 N -0.72 0.00 0.00 -0.37 4.77 -1.03 -4.59 117.00 115.06 1rfa n LEU 131 Ca -0.03 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.10 1rfa n LEU 131 Cb 0.54 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.55 1rfa n LEU 131 CO 0.48 0.00 1.08 0.47 -1.33 0.00 0.00 177.39 178.10