#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 0.86 -4.23 -3.46 4.13 -1.26 -4.68 115.26 106.62 1rfa n ASN 56 Ca 0.00 -2.41 -0.16 0.00 1.68 0.00 0.00 54.58 53.69 1rfa n ASN 56 Cb 0.00 -0.30 -0.11 0.00 -1.54 0.00 0.00 39.78 37.84 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1rfa s THR 57 N -0.94 1.21 0.17 3.41 -4.23 -1.26 -3.73 115.64 110.27 1rfa s THR 57 Ca 0.16 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1rfa s THR 57 Cb 0.16 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1rfa s THR 57 CO -0.02 -0.52 0.31 -0.63 -0.54 0.00 0.00 174.62 173.21 1rfa s ILE 58 N -2.47 0.06 0.14 2.99 1.01 -0.53 -0.18 121.20 122.22 1rfa s ILE 58 Ca 0.10 -1.34 0.10 0.00 0.00 0.00 0.00 60.65 59.50 1rfa s ILE 58 Cb -0.03 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1rfa s ILE 58 CO 0.02 -0.27 -0.19 -0.13 0.00 0.00 0.00 174.94 174.37 1rfa s ARG 59 N -3.96 1.73 -0.12 2.79 0.52 -1.16 0.37 118.95 119.11 1rfa s ARG 59 Ca 0.17 -1.28 -0.01 0.00 -0.52 0.00 0.00 55.73 54.10 1rfa s ARG 59 Cb 0.03 -2.05 0.03 0.00 0.52 0.00 0.00 34.95 33.48 1rfa s ARG 59 CO 0.00 0.45 -0.06 0.08 0.02 0.00 0.00 175.30 175.80 1rfa s VAL 60 N -1.31 0.97 -0.01 3.52 1.01 0.72 0.92 120.40 126.22 1rfa s VAL 60 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1rfa s VAL 60 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1rfa s VAL 60 CO 0.10 0.29 0.21 -0.36 0.00 0.00 0.00 175.10 175.34 1rfa s PHE 61 N 1.72 3.56 0.63 5.22 0.40 -0.22 -1.53 117.98 127.76 1rfa s PHE 61 Ca 0.04 0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 56.75 1rfa s PHE 61 Cb -0.13 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.53 1rfa s PHE 61 CO -0.08 0.64 0.95 -0.51 0.70 0.00 0.00 175.22 176.92 1rfa s LEU 62 N -1.82 3.09 -1.19 -0.37 2.01 0.47 -1.77 118.68 119.11 1rfa s LEU 62 Ca 0.27 0.67 -0.17 0.00 0.01 0.00 0.00 54.13 54.90 1rfa s LEU 62 Cb -0.13 -3.45 0.11 0.00 0.01 0.00 0.00 46.19 42.74 1rfa s LEU 62 CO 0.17 -1.23 1.52 -2.84 1.01 0.00 0.00 176.35 174.98 1rfa s PRO 63 N -5.09 3.92 0.00 1.29 0.02 -1.23 -3.80 135.00 130.11 1rfa s PRO 63 Ca 0.56 -2.04 0.00 0.00 0.02 0.00 0.00 61.00 59.54 1rfa s PRO 63 Cb -0.11 -5.28 0.00 0.00 0.02 0.00 0.00 34.50 29.13 1rfa s PRO 63 CO 0.45 -2.03 0.00 -1.71 -0.33 0.00 0.00 177.00 173.38 1rfa n ASN 64 N 7.33 0.00 -0.23 2.53 2.85 -1.26 -4.97 115.26 121.50 1rfa n ASN 64 Ca 0.40 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1rfa n ASN 64 Cb 0.46 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.48 1rfa n ASN 64 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1rfa n LYS 65 N 0.00 0.00 -2.87 1.20 0.00 -1.25 -5.16 118.16 110.09 1rfa n LYS 65 Ca 0.00 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.31 58.09 1rfa n LYS 65 Cb 0.00 0.01 0.07 0.00 -0.00 0.00 0.00 35.03 35.11 1rfa n LYS 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1rfa s GLN 66 N 0.00 2.18 0.24 -1.58 -1.52 -1.26 -4.83 119.66 112.90 1rfa s GLN 66 Ca 0.00 -1.38 -0.21 0.00 -1.95 0.00 0.00 55.36 51.82 1rfa s GLN 66 Cb 0.00 -2.55 0.03 0.00 -0.22 0.00 0.00 33.01 30.27 1rfa s GLN 66 CO 0.00 -0.97 0.67 -0.98 -0.25 0.00 0.00 175.29 173.76 1rfa s ARG 67 N -4.79 1.62 -0.15 2.91 3.03 -1.26 -0.39 118.95 119.93 1rfa s ARG 67 Ca 0.62 -0.85 -0.34 0.00 2.03 0.00 0.00 55.73 57.19 1rfa s ARG 67 Cb -0.06 0.60 0.14 0.00 -1.03 0.00 0.00 34.95 34.60 1rfa s ARG 67 CO 0.40 -0.73 1.35 -0.08 -1.13 0.00 0.00 175.30 175.11 1rfa s THR 68 N -3.88 0.00 -0.01 4.99 -1.32 -0.58 -4.91 115.64 109.94 1rfa s THR 68 Ca 0.09 -0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.54 1rfa s THR 68 Cb -0.04 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1rfa s THR 68 CO 0.01 0.00 -0.06 0.54 -2.21 0.00 0.00 174.62 172.90 1rfa s VAL 69 N -2.18 3.71 0.17 5.08 0.11 -1.26 -0.20 120.40 125.83 1rfa s VAL 69 Ca 0.13 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1rfa s VAL 69 Cb 0.03 -2.60 -0.05 0.00 -1.53 0.00 0.00 36.38 32.24 1rfa s VAL 69 CO -0.05 0.43 -0.10 0.68 -3.33 0.00 0.00 175.10 172.73 1rfa s VAL 70 N -0.97 1.30 -0.01 2.04 -7.23 0.16 -4.93 120.40 110.75 1rfa s VAL 70 Ca 0.16 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 1rfa s VAL 70 Cb -0.11 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1rfa s VAL 70 CO 0.07 -0.67 -0.17 0.20 -0.31 0.00 0.00 175.10 174.22 1rfa s ASN 71 N -3.22 1.95 -0.14 4.85 0.01 -1.26 -1.45 114.94 115.69 1rfa s ASN 71 Ca 0.19 -0.31 -0.18 0.00 -0.71 0.00 0.00 52.86 51.85 1rfa s ASN 71 Cb 0.02 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1rfa s ASN 71 CO 0.03 0.20 0.49 0.54 -1.51 0.00 0.00 177.10 176.85 1rfa s VAL 72 N -0.41 5.17 -0.07 1.60 0.11 -1.24 -5.02 120.40 120.53 1rfa s VAL 72 Ca 0.06 0.97 0.04 0.00 -2.93 0.00 0.00 61.98 60.12 1rfa s VAL 72 Cb -0.06 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 30.94 1rfa s VAL 72 CO -0.01 0.29 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.73 1rfa s ARG 73 N 0.87 2.71 0.39 1.54 1.81 -1.26 -4.83 118.95 120.18 1rfa s ARG 73 Ca 0.26 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 1rfa s ARG 73 Cb -0.15 -2.32 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1rfa s ARG 73 CO 0.10 0.42 0.00 0.09 -0.68 0.00 0.00 175.30 175.23 1rfa n ASN 74 N 2.88 0.00 -2.73 0.23 3.02 -1.26 -1.23 115.26 116.18 1rfa n ASN 74 Ca -0.17 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.30 1rfa n ASN 74 Cb 0.52 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.77 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rfa n GLY 75 N 0.00 0.05 3.78 7.41 0.00 -1.26 -5.14 105.19 110.02 1rfa n GLY 75 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1rfa n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rfa s MET 76 N 0.38 3.49 0.28 1.61 -1.94 -0.36 -5.03 119.30 117.73 1rfa s MET 76 Ca 0.25 1.60 0.08 0.00 -1.71 0.00 0.00 55.69 55.92 1rfa s MET 76 Cb 0.27 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.98 1rfa s MET 76 CO -0.13 -0.73 0.16 -1.12 -0.01 0.00 0.00 175.02 173.18 1rfa s SER 77 N -1.73 5.13 0.21 3.03 0.01 -1.26 -4.32 113.70 114.76 1rfa s SER 77 Ca 0.70 -0.47 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 1rfa s SER 77 Cb -0.24 -1.09 0.16 0.00 0.21 0.00 0.00 66.02 65.06 1rfa s SER 77 CO 0.27 -0.13 1.56 -0.07 0.41 0.00 0.00 173.24 175.28 1rfa h LEU 78 N 1.54 -1.48 0.79 2.44 -0.00 -1.31 1.56 115.31 118.86 1rfa h LEU 78 Ca -0.46 0.29 -0.04 0.00 -0.00 0.00 0.00 57.88 57.67 1rfa h LEU 78 Cb 1.25 0.74 0.00 0.00 -0.00 0.00 0.00 40.66 42.65 1rfa h LEU 78 CO 0.61 -0.29 -0.42 0.45 -0.00 0.00 0.00 178.44 178.78 1rfa h HIS 79 N -0.06 -1.10 0.00 1.13 3.86 -1.09 0.44 115.15 118.33 1rfa h HIS 79 Ca 0.28 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1rfa h HIS 79 Cb 0.56 0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1rfa h HIS 79 CO -0.83 -0.66 0.00 -0.44 0.86 0.00 0.00 177.93 176.86 1rfa h ASP 80 N -1.12 0.00 0.73 2.45 5.19 -0.88 1.09 116.42 123.89 1rfa h ASP 80 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1rfa h ASP 80 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1rfa h ASP 80 CO 0.15 0.00 -0.93 0.00 -3.12 0.00 0.00 179.24 175.34 1rfa n LEU 82 N -2.26 2.08 0.00 0.00 7.99 0.15 -3.67 117.00 121.30 1rfa n LEU 82 Ca 0.01 -0.06 0.06 0.00 -0.01 0.00 0.00 56.01 56.02 1rfa n LEU 82 Cb 0.48 -0.27 0.33 0.00 -0.11 0.00 0.00 43.42 43.85 1rfa n LEU 82 CO 0.39 0.61 0.60 0.80 -1.51 0.00 0.00 177.39 178.28 1rfa n MET 83 N -2.78 0.29 -0.06 3.23 1.56 0.37 0.11 117.12 119.84 1rfa n MET 83 Ca -0.24 0.07 -0.13 0.00 -0.27 0.00 0.00 57.70 57.13 1rfa n MET 83 Cb 0.81 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.54 1rfa n MET 83 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1rfa n LYS 84 N -1.11 0.68 -0.05 2.12 0.00 -1.14 -3.49 118.16 115.16 1rfa n LYS 84 Ca 0.08 0.16 -0.15 0.00 0.00 0.00 0.00 58.31 58.40 1rfa n LYS 84 Cb 0.06 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.33 1rfa n LYS 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rfa h ALA 85 N 0.63 -0.01 0.00 3.14 0.00 -0.19 -3.19 119.26 119.65 1rfa h ALA 85 Ca -0.45 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 53.91 1rfa h ALA 85 Cb 2.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1rfa h ALA 85 CO 0.03 0.02 -0.34 -0.07 0.00 0.00 0.00 179.25 178.90 1rfa h LEU 86 N -0.88 0.00 -0.46 0.00 3.38 0.50 -2.04 115.31 115.82 1rfa h LEU 86 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1rfa h LEU 86 Cb 1.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1rfa h LEU 86 CO 0.02 0.23 0.12 0.50 0.09 0.00 0.00 178.44 179.39 1rfa h LYS 87 N 0.00 0.25 -0.39 1.13 3.11 -1.66 1.33 116.57 120.34 1rfa h LYS 87 Ca -0.01 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1rfa h LYS 87 Cb 1.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.34 1rfa h LYS 87 CO 0.03 0.17 0.18 0.28 -2.81 0.00 0.00 179.45 177.30 1rfa h VAL 88 N 0.26 1.14 0.13 2.00 2.07 -1.35 -2.72 116.25 117.77 1rfa h VAL 88 Ca 0.22 -0.41 -0.32 0.00 0.82 0.00 0.00 66.70 67.02 1rfa h VAL 88 Cb 0.27 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1rfa h VAL 88 CO -0.27 0.16 -1.61 0.03 0.02 0.00 0.00 177.57 175.90 1rfa h ARG 89 N 0.55 0.27 0.00 1.57 3.08 -0.99 -3.48 114.38 115.38 1rfa h ARG 89 Ca 0.14 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1rfa h ARG 89 Cb 0.07 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1rfa h ARG 89 CO -0.02 1.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.43 1rfa n GLY 90 N 1.72 1.78 3.79 0.04 0.00 0.40 -5.08 105.19 107.83 1rfa n GLY 90 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 3.03 0.19 0.99 1.43 0.20 -4.98 118.68 119.53 1rfa s LEU 91 Ca 0.00 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.08 1rfa s LEU 91 Cb 0.00 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1rfa s LEU 91 CO 0.00 -0.68 -0.16 0.00 0.23 0.00 0.00 176.35 175.74 1rfa s GLN 92 N -4.00 1.30 0.00 1.70 -2.07 -1.26 -3.84 119.66 111.48 1rfa s GLN 92 Ca 0.38 -1.50 0.08 0.00 -1.82 0.00 0.00 55.36 52.50 1rfa s GLN 92 Cb 0.02 -1.21 0.08 0.00 -1.09 0.00 0.00 33.01 30.80 1rfa s GLN 92 CO 0.22 0.22 0.79 -0.35 -1.32 0.00 0.00 175.29 174.85 1rfa n PRO 93 N -0.07 0.38 0.21 9.60 -0.04 -1.26 -4.53 135.00 139.30 1rfa n PRO 93 Ca -0.10 -1.06 0.07 0.00 -0.04 0.00 0.00 63.50 62.36 1rfa n PRO 93 Cb 0.59 -1.16 0.45 0.00 -0.04 0.00 0.00 33.50 33.34 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 1.55 0.00 -0.36 0.54 3.07 -1.99 -2.02 114.58 115.37 1rfa h GLU 94 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1rfa h GLU 94 Cb 0.36 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 1rfa h GLU 94 CO 0.00 0.30 0.02 0.00 -1.40 0.00 0.00 179.01 177.93 1rfa s ALA 97 N -3.43 2.05 0.49 0.00 0.00 -0.08 -4.39 121.76 116.41 1rfa s ALA 97 Ca 0.34 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1rfa s ALA 97 Cb 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1rfa s ALA 97 CO 0.13 0.49 0.72 0.08 0.00 0.00 0.00 175.76 177.17 1rfa s VAL 98 N -0.51 3.40 0.14 0.00 1.01 -1.26 0.62 120.40 123.79 1rfa s VAL 98 Ca 0.08 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1rfa s VAL 98 Cb -0.10 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.08 1rfa s VAL 98 CO -0.00 -0.18 0.54 -0.36 0.00 0.00 0.00 175.10 175.10 1rfa s PHE 99 N -2.64 -0.45 0.03 5.22 0.40 -0.33 -2.54 117.98 117.67 1rfa s PHE 99 Ca 0.52 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1rfa s PHE 99 Cb -0.10 0.46 -0.04 0.00 0.51 0.00 0.00 43.02 43.85 1rfa s PHE 99 CO 0.38 -0.79 0.11 0.50 0.70 0.00 0.00 175.22 176.12 1rfa s ARG 100 N -3.61 3.09 1.05 0.44 3.52 0.28 -0.74 118.95 122.98 1rfa s ARG 100 Ca 0.01 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 54.90 1rfa s ARG 100 Cb -0.00 -2.86 0.24 0.00 -1.56 0.00 0.00 34.95 30.77 1rfa s ARG 100 CO -0.11 0.62 1.29 -0.51 -0.81 0.00 0.00 175.30 175.78 1rfa s LEU 101 N -2.10 2.23 -0.60 -0.88 1.43 0.03 0.06 118.68 118.85 1rfa s LEU 101 Ca 0.27 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 1rfa s LEU 101 Cb -0.12 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.02 1rfa s LEU 101 CO 0.19 -3.22 0.88 -1.48 0.23 0.00 0.00 176.35 172.94 1rfa s LEU 102 N -6.21 4.53 0.00 1.79 2.34 -1.26 -4.42 118.68 115.46 1rfa s LEU 102 Ca 0.75 -0.89 0.23 0.00 0.06 0.00 0.00 54.13 54.28 1rfa s LEU 102 Cb -0.04 -2.50 0.24 0.00 -0.56 0.00 0.00 46.19 43.33 1rfa s LEU 102 CO 0.54 -1.27 1.26 1.41 -1.06 0.00 0.00 176.35 177.23 1rfa n HIS 103 N 7.26 0.12 -2.10 3.48 8.25 -1.26 -4.43 115.22 126.54 1rfa n HIS 103 Ca -0.04 -0.06 -0.05 0.00 -0.26 0.00 0.00 57.72 57.31 1rfa n HIS 103 Cb 0.45 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 1rfa n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1rfa n GLU 104 N 1.31 0.29 -4.16 -0.41 0.00 -1.26 -5.13 120.64 111.29 1rfa n GLU 104 Ca 0.15 -0.87 -0.15 0.00 0.00 0.00 0.00 57.16 56.28 1rfa n GLU 104 Cb 0.57 0.46 -0.06 0.00 0.00 0.00 0.00 31.44 32.41 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1rfa s HIS 105 N 0.03 1.24 -0.10 -1.84 0.09 -1.26 -5.15 115.29 108.31 1rfa s HIS 105 Ca 0.02 -1.38 -0.03 0.00 -0.00 0.00 0.00 55.06 53.67 1rfa s HIS 105 Cb 0.10 -0.32 0.04 0.00 -0.00 0.00 0.00 32.58 32.40 1rfa s HIS 105 CO -0.03 -0.99 0.07 0.21 -0.00 0.00 0.00 174.74 174.00 1rfa s LYS 106 N -3.37 0.02 0.00 1.40 2.47 -1.26 -4.82 119.74 114.18 1rfa s LYS 106 Ca 0.34 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 1rfa s LYS 106 Cb 0.01 -1.09 0.00 0.00 -1.46 0.00 0.00 37.83 35.29 1rfa s LYS 106 CO 0.21 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.66 1rfa n GLY 107 N 5.28 0.50 3.41 5.54 0.00 -1.26 -5.01 105.19 113.64 1rfa n GLY 107 Ca -0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.55 0.54 0.08 1.61 1.02 -1.26 -5.15 119.74 114.03 1rfa s LYS 108 Ca 0.00 0.87 0.03 0.00 0.02 0.00 0.00 55.97 56.88 1rfa s LYS 108 Cb 0.00 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1rfa s LYS 108 CO 0.00 -0.13 0.09 0.15 -0.92 0.00 0.00 175.35 174.55 1rfa s LYS 109 N 1.06 2.94 -0.23 1.68 1.02 -1.26 -4.21 119.74 120.74 1rfa s LYS 109 Ca -0.06 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 1rfa s LYS 109 Cb -0.06 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1rfa s LYS 109 CO -0.10 0.57 0.75 0.00 -0.92 0.00 0.00 175.35 175.66 1rfa s ALA 110 N -1.40 3.62 0.18 5.17 0.00 0.11 -4.89 121.76 124.55 1rfa s ALA 110 Ca 0.30 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1rfa s ALA 110 Cb -0.12 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1rfa s ALA 110 CO 0.22 -0.83 0.44 0.50 0.00 0.00 0.00 175.76 176.09 1rfa s ARG 111 N 2.59 3.66 0.30 0.00 3.00 -1.26 0.99 118.95 128.23 1rfa s ARG 111 Ca 0.32 -0.01 0.02 0.00 -1.00 0.00 0.00 55.73 55.06 1rfa s ARG 111 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 34.95 32.01 1rfa s ARG 111 CO 0.08 0.40 0.07 1.28 0.00 0.00 0.00 175.30 177.13 1rfa n LEU 112 N -0.14 0.00 -4.95 -0.88 4.77 -1.05 -4.87 117.00 109.88 1rfa n LEU 112 Ca -0.02 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.60 1rfa n LEU 112 Cb 0.52 0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 42.18 1rfa n LEU 112 CO 0.48 -0.33 0.02 -0.62 -1.33 0.00 0.00 177.39 175.61 1rfa s ASP 113 N -2.79 5.70 0.00 -1.43 2.15 -1.26 -4.69 116.67 114.36 1rfa s ASP 113 Ca 0.10 -0.32 0.28 0.00 0.43 0.00 0.00 52.55 53.04 1rfa s ASP 113 Cb 0.01 -1.08 0.99 0.00 -0.30 0.00 0.00 42.92 42.54 1rfa s ASP 113 CO 0.07 -0.44 1.71 0.79 -0.17 0.00 0.00 175.17 177.13 1rfa n TRP 114 N -1.57 0.00 -1.23 -5.34 5.03 -1.26 -2.82 117.44 110.24 1rfa n TRP 114 Ca 0.00 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.60 1rfa n TRP 114 Cb 0.59 -0.00 0.19 0.00 -1.03 0.00 0.00 31.31 31.06 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 0.22 2.56 -4.77 -0.99 5.15 -1.26 -0.47 115.26 115.69 1rfa n ASN 115 Ca 0.19 -3.37 -0.38 0.00 -0.60 0.00 0.00 54.58 50.42 1rfa n ASN 115 Cb 0.37 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.07 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 -3.01 3.56 -0.79 -0.44 2.01 -1.13 -4.44 115.64 111.40 1rfa s THR 116 Ca 0.38 1.36 -0.25 0.00 0.31 0.00 0.00 61.69 63.48 1rfa s THR 116 Cb 0.33 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1rfa s THR 116 CO 0.02 0.17 1.80 -0.62 -0.69 0.00 0.00 174.62 175.29 1rfa s ASP 117 N -1.23 5.44 0.61 3.53 2.15 -1.26 -1.35 116.67 124.55 1rfa s ASP 117 Ca 0.52 -0.36 0.40 0.00 0.43 0.00 0.00 52.55 53.54 1rfa s ASP 117 Cb -0.27 -2.55 1.96 0.00 -0.30 0.00 0.00 42.92 41.76 1rfa s ASP 117 CO 0.34 -2.39 2.19 0.00 -0.17 0.00 0.00 175.17 175.15 1rfa h ALA 118 N 12.38 1.00 0.00 3.66 0.00 -1.90 0.37 119.26 134.77 1rfa h ALA 118 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rfa h ALA 118 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rfa h ALA 118 CO 1.24 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.49 1rfa n ALA 119 N -2.07 2.37 0.46 0.00 0.00 -1.26 -0.63 120.51 119.37 1rfa n ALA 119 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rfa n ALA 119 Cb 0.17 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1rfa n ALA 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rfa n SER 120 N -1.15 0.94 -1.45 0.00 7.64 0.13 -3.83 113.62 115.91 1rfa n SER 120 Ca 0.16 -0.54 0.09 0.00 1.01 0.00 0.00 58.87 59.59 1rfa n SER 120 Cb 0.15 1.28 0.33 0.00 -1.01 0.00 0.00 64.21 64.96 1rfa n SER 120 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfa n LEU 121 N -1.64 4.48 -4.72 -3.43 7.99 0.19 -4.97 117.00 114.91 1rfa n LEU 121 Ca 0.01 -2.38 -0.42 0.00 -0.01 0.00 0.00 56.01 53.21 1rfa n LEU 121 Cb 0.31 -0.54 -0.03 0.00 -0.11 0.00 0.00 43.42 43.05 1rfa n LEU 121 CO 0.33 0.83 0.98 -0.51 -1.51 0.00 0.00 177.39 177.51 1rfa s ILE 122 N -1.72 3.55 0.00 -0.08 1.10 -0.42 -2.52 121.20 121.10 1rfa s ILE 122 Ca 0.48 1.14 0.00 0.00 -0.51 0.00 0.00 60.65 61.76 1rfa s ILE 122 Cb 0.30 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 39.19 1rfa s ILE 122 CO 0.24 0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.79 1rfa n GLY 123 N 3.18 0.99 0.00 1.50 0.00 0.74 -4.57 105.19 107.04 1rfa n GLY 123 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.62 0.59 -4.66 1.61 -0.58 -1.05 -4.96 120.64 110.96 1rfa n GLU 124 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1rfa n GLU 124 Cb 0.31 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.02 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 -0.03 1.17 0.37 3.49 2.02 -1.26 -3.01 118.70 121.45 1rfa s GLU 125 Ca 0.00 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.56 1rfa s GLU 125 Cb 0.00 -1.13 -0.07 0.00 0.10 0.00 0.00 34.13 33.03 1rfa s GLU 125 CO 0.00 0.30 -0.03 -0.51 0.02 0.00 0.00 175.26 175.05 1rfa s LEU 126 N -0.32 2.84 0.19 1.80 1.02 0.26 -0.79 118.68 123.67 1rfa s LEU 126 Ca 0.05 -1.23 0.01 0.00 0.02 0.00 0.00 54.13 52.98 1rfa s LEU 126 Cb -0.06 -1.03 -0.05 0.00 0.02 0.00 0.00 46.19 45.07 1rfa s LEU 126 CO -0.00 -0.32 0.05 -1.58 0.02 0.00 0.00 176.35 174.52 1rfa s GLN 127 N -3.68 1.15 0.05 1.70 0.74 0.08 -1.06 119.66 118.65 1rfa s GLN 127 Ca 0.34 -1.57 0.07 0.00 0.05 0.00 0.00 55.36 54.25 1rfa s GLN 127 Cb 0.05 -0.11 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 1rfa s GLN 127 CO 0.18 -0.22 -0.20 0.08 -0.55 0.00 0.00 175.29 174.58 1rfa s VAL 128 N -3.81 1.63 0.00 1.34 1.01 -0.73 -1.19 120.40 118.66 1rfa s VAL 128 Ca 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1rfa s VAL 128 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1rfa s VAL 128 CO 0.06 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 1rfa n ASP 129 N 1.77 0.00 -4.72 3.32 -0.08 0.20 -3.49 116.55 113.54 1rfa n ASP 129 Ca -0.17 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.81 1rfa n ASP 129 Cb 0.53 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.13 1rfa n ASP 129 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1rfa s PHE 130 N -1.20 2.36 0.07 -0.67 -0.12 -1.26 -0.90 117.98 116.25 1rfa s PHE 130 Ca 0.00 1.22 0.31 0.00 -0.05 0.00 0.00 56.93 58.41 1rfa s PHE 130 Cb 0.00 -3.17 1.19 0.00 -0.63 0.00 0.00 43.02 40.41 1rfa s PHE 130 CO 0.00 -2.36 1.92 1.37 -0.05 0.00 0.00 175.22 176.10 1rfa h LEU 131 N -1.52 0.00 0.00 -1.99 8.10 -1.75 -1.54 115.31 116.61 1rfa h LEU 131 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.50 1rfa h LEU 131 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1rfa h LEU 131 CO 0.55 0.05 0.00 0.47 -4.11 0.00 0.00 178.44 175.40