#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 -3.94 -3.46 5.15 -1.26 -4.83 115.26 107.10 1rfa n ASN 56 Ca 0.00 -1.83 -0.09 0.00 -0.60 0.00 0.00 54.58 52.05 1rfa n ASN 56 Cb 0.00 -0.13 -0.10 0.00 -0.53 0.00 0.00 39.78 39.02 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 0.13 0.20 -0.44 -4.23 -1.26 -2.77 115.64 107.27 1rfa s THR 57 Ca 0.10 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1rfa s THR 57 Cb 0.12 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 73.15 1rfa s THR 57 CO -0.05 -0.59 0.26 -0.63 -0.54 0.00 0.00 174.62 173.07 1rfa s ILE 58 N -2.38 0.02 0.33 2.99 1.09 -0.79 -0.63 121.20 121.83 1rfa s ILE 58 Ca -0.07 -1.70 0.09 0.00 -1.10 0.00 0.00 60.65 57.86 1rfa s ILE 58 Cb -0.03 -2.26 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 1rfa s ILE 58 CO -0.04 -0.09 0.08 -0.13 -0.10 0.00 0.00 174.94 174.66 1rfa s ARG 59 N -4.07 2.26 -0.04 2.79 3.00 -1.22 -0.14 118.95 121.52 1rfa s ARG 59 Ca 0.29 -1.60 -0.02 0.00 0.00 0.00 0.00 55.73 54.40 1rfa s ARG 59 Cb 0.04 -2.09 0.03 0.00 0.00 0.00 0.00 34.95 32.93 1rfa s ARG 59 CO 0.08 0.15 0.06 0.08 0.00 0.00 0.00 175.30 175.68 1rfa s VAL 60 N -2.45 -0.11 0.14 3.52 1.01 0.46 0.44 120.40 123.42 1rfa s VAL 60 Ca 0.36 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 1rfa s VAL 60 Cb -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 1rfa s VAL 60 CO 0.21 0.16 0.54 -0.36 0.00 0.00 0.00 175.10 175.65 1rfa s PHE 61 N 2.00 3.60 -0.98 5.22 0.40 -0.24 -1.30 117.98 126.69 1rfa s PHE 61 Ca 0.03 1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 57.24 1rfa s PHE 61 Cb -0.12 -2.35 0.19 0.00 0.51 0.00 0.00 43.02 41.24 1rfa s PHE 61 CO -0.03 0.43 1.07 -0.51 0.70 0.00 0.00 175.22 176.88 1rfa s LEU 62 N -1.98 5.77 -0.98 -0.37 2.01 0.20 -2.21 118.68 121.12 1rfa s LEU 62 Ca 0.38 -2.66 -0.26 0.00 0.01 0.00 0.00 54.13 51.60 1rfa s LEU 62 Cb -0.15 -2.31 0.04 0.00 0.01 0.00 0.00 46.19 43.78 1rfa s LEU 62 CO 0.19 -0.74 0.56 -2.65 1.01 0.00 0.00 176.35 174.73 1rfa n PRO 63 N 5.01 -0.45 0.00 1.29 -0.02 -0.76 -0.76 135.00 139.31 1rfa n PRO 63 Ca 0.23 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1rfa n PRO 63 Cb 0.46 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.70 0.00 0.00 2.55 3.02 -1.26 -4.81 115.26 113.06 1rfa n ASN 64 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1rfa n ASN 64 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rfa n LYS 65 N -0.87 0.00 -2.11 3.52 4.01 0.06 -5.00 118.16 117.77 1rfa n LYS 65 Ca 0.00 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.62 1rfa n LYS 65 Cb 0.00 -0.37 0.09 0.00 -0.51 0.00 0.00 35.03 34.24 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1rfa n GLN 66 N -0.62 0.04 -3.95 1.97 1.13 -1.22 -4.66 117.38 110.07 1rfa n GLN 66 Ca 0.00 -2.09 -0.09 0.00 -1.94 0.00 0.00 57.00 52.88 1rfa n GLN 66 Cb 0.00 -0.52 -0.08 0.00 0.11 0.00 0.00 30.24 29.75 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 -4.50 0.89 0.11 -1.09 3.03 -1.26 0.60 118.95 116.74 1rfa s ARG 67 Ca 0.51 -1.10 -0.26 0.00 2.03 0.00 0.00 55.73 56.91 1rfa s ARG 67 Cb -0.03 0.32 0.08 0.00 -1.03 0.00 0.00 34.95 34.29 1rfa s ARG 67 CO 0.34 -0.28 1.07 -0.08 -1.13 0.00 0.00 175.30 175.22 1rfa s THR 68 N -3.91 0.00 0.09 4.99 -1.32 -0.42 -4.92 115.64 110.15 1rfa s THR 68 Ca 0.10 -0.53 0.10 0.00 -1.21 0.00 0.00 61.69 60.15 1rfa s THR 68 Cb 0.05 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 1rfa s THR 68 CO -0.07 0.00 -0.25 0.54 -2.21 0.00 0.00 174.62 172.63 1rfa s VAL 69 N -2.87 2.03 0.13 5.08 0.11 -1.26 -0.40 120.40 123.22 1rfa s VAL 69 Ca 0.15 -1.56 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 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 0.01 0.13 -0.09 0.68 -3.33 0.00 0.00 175.10 172.50 1rfa s VAL 70 N -1.00 1.02 0.24 2.04 -7.23 0.80 -4.93 120.40 111.33 1rfa s VAL 70 Ca 0.11 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1rfa s VAL 70 Cb -0.10 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1rfa s VAL 70 CO 0.04 -0.78 -0.12 0.20 -0.31 0.00 0.00 175.10 174.14 1rfa s ASN 71 N -3.10 4.03 0.04 4.85 0.01 -1.26 -1.88 114.94 117.62 1rfa s ASN 71 Ca 0.15 -0.78 0.07 0.00 -0.71 0.00 0.00 52.86 51.58 1rfa s ASN 71 Cb 0.03 -0.56 -0.02 0.00 0.41 0.00 0.00 41.25 41.10 1rfa s ASN 71 CO -0.01 0.05 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.75 1rfa s VAL 72 N -2.15 1.51 0.52 1.60 1.01 -1.11 -4.97 120.40 116.80 1rfa s VAL 72 Ca 0.28 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1rfa s VAL 72 Cb -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1rfa s VAL 72 CO 0.16 0.17 0.25 -0.13 0.00 0.00 0.00 175.10 175.55 1rfa s ARG 73 N -1.11 2.23 -0.03 2.72 1.81 -1.26 -4.95 118.95 118.37 1rfa s ARG 73 Ca 0.06 -2.13 -0.29 0.00 -1.72 0.00 0.00 55.73 51.64 1rfa s ARG 73 Cb -0.08 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.49 1rfa s ARG 73 CO 0.01 -0.48 0.97 1.21 -0.68 0.00 0.00 175.30 176.33 1rfa s ASN 74 N -4.11 7.32 0.00 0.23 2.47 -1.26 -2.44 114.94 117.15 1rfa s ASN 74 Ca 0.25 1.60 0.00 0.00 0.42 0.00 0.00 52.86 55.13 1rfa s ASN 74 Cb -0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1rfa s ASN 74 CO 0.15 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 1rfa n GLY 75 N 2.97 0.53 3.92 1.21 0.00 -1.26 -5.05 105.19 107.50 1rfa n GLY 75 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.97 2.21 0.24 1.61 -1.94 -1.02 -5.08 119.30 114.35 1rfa s MET 76 Ca 0.00 -0.15 -0.15 0.00 -1.71 0.00 0.00 55.69 53.69 1rfa s MET 76 Cb 0.00 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.72 1rfa s MET 76 CO 0.00 -1.28 0.52 -1.12 -0.01 0.00 0.00 175.02 173.13 1rfa s SER 77 N -4.51 -0.14 0.17 3.03 0.01 -1.26 -4.78 113.70 106.21 1rfa s SER 77 Ca 0.60 -0.82 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 1rfa s SER 77 Cb -0.11 0.60 0.05 0.00 0.21 0.00 0.00 66.02 66.77 1rfa s SER 77 CO 0.46 -1.15 1.58 -0.07 0.41 0.00 0.00 173.24 174.47 1rfa h LEU 78 N 2.22 -1.27 0.00 2.44 -0.00 -0.68 1.72 115.31 119.73 1rfa h LEU 78 Ca -0.25 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1rfa h LEU 78 Cb 1.25 0.59 0.00 0.00 -0.00 0.00 0.00 40.66 42.50 1rfa h LEU 78 CO 0.34 -0.34 0.00 1.41 -0.00 0.00 0.00 178.44 179.85 1rfa n HIS 79 N -5.42 0.00 0.28 1.13 8.25 0.25 0.19 115.22 119.90 1rfa n HIS 79 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1rfa n HIS 79 Cb 0.35 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 1rfa n HIS 79 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rfa n ASP 80 N -1.24 0.57 -0.10 0.41 8.00 0.14 -3.96 116.55 120.37 1rfa n ASP 80 Ca 0.15 -0.78 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 1rfa n ASP 80 Cb 0.22 0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 41.99 1rfa n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rfa n LEU 82 N -3.02 2.66 0.33 0.00 7.99 0.49 -2.38 117.00 123.07 1rfa n LEU 82 Ca -0.36 0.16 0.22 0.00 -0.01 0.00 0.00 56.01 56.03 1rfa n LEU 82 Cb 0.94 -1.07 1.18 0.00 -0.11 0.00 0.00 43.42 44.37 1rfa n LEU 82 CO 0.25 0.86 1.17 -0.03 -1.51 0.00 0.00 177.39 178.13 1rfa h MET 83 N 0.06 0.00 0.17 3.23 4.05 -1.68 1.06 114.93 121.81 1rfa h MET 83 Ca -0.45 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 58.65 1rfa h MET 83 Cb 2.02 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.82 1rfa h MET 83 CO 0.06 0.00 -1.57 -0.22 0.23 0.00 0.00 176.91 175.42 1rfa h LYS 84 N 0.00 0.35 -0.10 0.39 3.64 -1.65 -1.64 116.57 117.56 1rfa h LYS 84 Ca 0.00 -0.60 -0.06 0.00 -1.27 0.00 0.00 60.65 58.71 1rfa h LYS 84 Cb 0.02 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1rfa h LYS 84 CO 0.00 1.25 -0.18 0.00 -2.27 0.00 0.00 179.45 178.25 1rfa h ALA 85 N 0.32 0.16 0.00 5.00 0.00 0.21 -2.89 119.26 122.06 1rfa h ALA 85 Ca -0.27 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rfa h ALA 85 Cb 2.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1rfa h ALA 85 CO 0.19 0.09 -0.49 -0.07 0.00 0.00 0.00 179.25 178.97 1rfa h LEU 86 N -0.13 0.00 -0.40 0.00 3.38 0.74 -2.52 115.31 116.38 1rfa h LEU 86 Ca 0.01 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1rfa h LEU 86 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1rfa h LEU 86 CO 0.04 0.01 0.14 0.50 0.09 0.00 0.00 178.44 179.23 1rfa h LYS 87 N 0.00 0.29 -0.15 1.13 3.11 -1.27 1.48 116.57 121.16 1rfa h LYS 87 Ca 0.00 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1rfa h LYS 87 Cb 0.94 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 1rfa h LYS 87 CO 0.00 0.19 0.02 0.28 -2.81 0.00 0.00 179.45 177.13 1rfa h VAL 88 N 0.30 1.09 0.02 2.00 2.07 -1.23 -2.61 116.25 117.88 1rfa h VAL 88 Ca 0.19 -0.31 -0.31 0.00 0.82 0.00 0.00 66.70 67.08 1rfa h VAL 88 Cb 0.17 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1rfa h VAL 88 CO -0.19 0.11 -1.87 0.54 0.02 0.00 0.00 177.57 176.18 1rfa n ARG 89 N -4.43 0.66 0.00 1.57 1.74 -0.67 -4.97 116.66 110.56 1rfa n ARG 89 Ca -0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1rfa n ARG 89 Cb 0.14 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rfa n GLY 90 N 1.66 1.79 3.68 -0.13 0.00 0.45 -5.08 105.19 107.56 1rfa n GLY 90 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 3.12 0.05 0.99 1.43 0.19 -5.00 118.68 119.46 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 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1rfa s LEU 91 CO 0.00 -0.27 0.14 -1.10 0.23 0.00 0.00 176.35 175.35 1rfa s GLN 92 N -3.78 3.18 -0.03 1.70 1.11 -1.26 -4.32 119.66 116.26 1rfa s GLN 92 Ca 0.36 -0.53 0.06 0.00 0.01 0.00 0.00 55.36 55.26 1rfa s GLN 92 Cb -0.01 -2.91 -0.09 0.00 -1.01 0.00 0.00 33.01 29.00 1rfa s GLN 92 CO 0.21 0.61 0.09 -0.35 0.01 0.00 0.00 175.29 175.86 1rfa n PRO 93 N 0.55 1.32 0.16 2.91 -0.04 -1.26 -4.58 135.00 134.06 1rfa n PRO 93 Ca -0.08 -0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1rfa n PRO 93 Cb 0.52 -1.15 0.46 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.58 0.54 3.07 -2.00 -0.62 114.58 114.99 1rfa h GLU 94 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1rfa h GLU 94 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 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 -3.44 1.95 0.52 0.00 0.00 0.20 -4.69 121.76 116.29 1rfa s ALA 97 Ca 0.36 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1rfa s ALA 97 Cb 0.08 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.67 1rfa s ALA 97 CO 0.15 0.42 0.72 0.08 0.00 0.00 0.00 175.76 177.13 1rfa s VAL 98 N -0.31 2.71 0.27 0.00 1.01 -1.26 0.49 120.40 123.31 1rfa s VAL 98 Ca 0.02 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1rfa s VAL 98 Cb -0.11 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1rfa s VAL 98 CO 0.01 0.00 0.72 -0.36 0.00 0.00 0.00 175.10 175.48 1rfa s PHE 99 N -2.64 -0.21 0.00 5.22 0.40 -0.17 -1.41 117.98 119.18 1rfa s PHE 99 Ca 0.57 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.73 1rfa s PHE 99 Cb -0.10 0.70 -0.03 0.00 0.51 0.00 0.00 43.02 44.10 1rfa s PHE 99 CO 0.37 -1.20 -0.17 0.50 0.70 0.00 0.00 175.22 175.42 1rfa s ARG 100 N -3.88 2.25 0.82 0.44 3.52 0.18 -1.91 118.95 120.37 1rfa s ARG 100 Ca 0.10 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 1rfa s ARG 100 Cb -0.06 -2.25 0.19 0.00 -1.56 0.00 0.00 34.95 31.28 1rfa s ARG 100 CO 0.06 0.57 0.99 1.28 -0.81 0.00 0.00 175.30 177.39 1rfa n LEU 101 N 1.90 0.00 -4.48 -0.88 4.77 0.34 -0.89 117.00 117.75 1rfa n LEU 101 Ca -0.16 -1.08 -0.44 0.00 -0.03 0.00 0.00 56.01 54.30 1rfa n LEU 101 Cb 0.52 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1rfa n LEU 101 CO 0.26 -1.44 1.37 -1.48 -1.33 0.00 0.00 177.39 174.77 1rfa s LEU 102 N 0.00 4.75 0.00 2.23 0.05 -1.26 -4.54 118.68 119.91 1rfa s LEU 102 Ca 0.58 -2.52 0.23 0.00 0.05 0.00 0.00 54.13 52.47 1rfa s LEU 102 Cb -0.03 -2.44 0.16 0.00 -2.05 0.00 0.00 46.19 41.84 1rfa s LEU 102 CO 0.42 -0.96 1.18 1.41 -0.55 0.00 0.00 176.35 177.85 1rfa n HIS 103 N 6.56 0.00 -2.26 3.48 8.25 -1.26 -4.15 115.22 125.84 1rfa n HIS 103 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1rfa n HIS 103 Cb 0.46 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.93 0.00 -4.23 -0.41 4.71 -1.26 -5.10 120.64 113.41 1rfa n GLU 104 Ca 0.07 -1.44 -0.14 0.00 -0.01 0.00 0.00 57.16 55.64 1rfa n GLU 104 Cb 0.37 0.05 -0.10 0.00 -1.01 0.00 0.00 31.44 30.75 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 0.00 1.31 -0.27 -0.32 3.76 -1.26 -5.07 115.29 113.44 1rfa s HIS 105 Ca 0.18 -1.39 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 1rfa s HIS 105 Cb 0.20 -0.64 -0.16 0.00 1.11 0.00 0.00 32.58 33.10 1rfa s HIS 105 CO -0.09 -0.63 -0.27 1.17 -0.85 0.00 0.00 174.74 174.08 1rfa n LYS 106 N -0.36 0.63 -2.71 1.40 3.00 -1.26 -4.80 118.16 114.06 1rfa n LYS 106 Ca 0.02 0.18 -0.08 0.00 -0.00 0.00 0.00 58.31 58.44 1rfa n LYS 106 Cb 0.65 -1.51 0.10 0.00 0.00 0.00 0.00 35.03 34.27 1rfa n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rfa n GLY 107 N 1.98 0.83 3.48 3.14 0.00 -1.26 -5.07 105.19 108.29 1rfa n GLY 107 Ca -0.49 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.23 0.67 -0.09 1.61 1.02 -1.26 -5.15 119.74 116.77 1rfa s LYS 108 Ca 0.21 0.81 -0.04 0.00 0.02 0.00 0.00 55.97 56.97 1rfa s LYS 108 Cb 0.33 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.93 1rfa s LYS 108 CO -0.07 -0.08 0.08 0.15 -0.92 0.00 0.00 175.35 174.51 1rfa s LYS 109 N 0.34 3.21 -0.05 1.68 1.02 -1.26 -4.17 119.74 120.50 1rfa s LYS 109 Ca -0.00 -0.29 -0.27 0.00 0.02 0.00 0.00 55.97 55.43 1rfa s LYS 109 Cb -0.04 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1rfa s LYS 109 CO 0.00 0.73 0.85 0.00 -0.92 0.00 0.00 175.35 176.01 1rfa s ALA 110 N -1.00 3.28 0.01 5.17 0.00 -0.07 -4.87 121.76 124.27 1rfa s ALA 110 Ca 0.16 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 1rfa s ALA 110 Cb -0.12 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1rfa s ALA 110 CO 0.05 -0.23 0.30 0.50 0.00 0.00 0.00 175.76 176.38 1rfa s ARG 111 N 1.06 3.64 0.45 0.00 3.00 -1.26 0.51 118.95 126.35 1rfa s ARG 111 Ca 0.44 0.03 0.07 0.00 -1.00 0.00 0.00 55.73 55.27 1rfa s ARG 111 Cb -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 1rfa s ARG 111 CO 0.22 0.65 0.28 -0.51 0.00 0.00 0.00 175.30 175.94 1rfa s LEU 112 N -1.61 3.05 0.44 -0.88 1.02 -0.50 -4.89 118.68 115.31 1rfa s LEU 112 Ca 0.27 -1.06 0.02 0.00 0.02 0.00 0.00 54.13 53.38 1rfa s LEU 112 Cb -0.14 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.57 1rfa s LEU 112 CO 0.15 -0.72 0.64 -0.62 0.02 0.00 0.00 176.35 175.82 1rfa s ASP 113 N -4.05 5.77 0.04 2.29 2.15 -1.26 -4.59 116.67 117.02 1rfa s ASP 113 Ca 0.40 0.12 0.24 0.00 0.43 0.00 0.00 52.55 53.73 1rfa s ASP 113 Cb 0.01 -1.34 0.32 0.00 -0.30 0.00 0.00 42.92 41.61 1rfa s ASP 113 CO 0.23 -0.72 1.27 0.79 -0.17 0.00 0.00 175.17 176.57 1rfa n TRP 114 N -2.02 0.21 -1.05 -5.34 5.03 -1.26 -3.19 117.44 109.82 1rfa n TRP 114 Ca 0.02 0.06 -0.01 0.00 3.03 0.00 0.00 57.50 60.60 1rfa n TRP 114 Cb 0.58 -0.39 0.31 0.00 -1.03 0.00 0.00 31.31 30.78 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 -1.77 4.66 -4.79 -0.99 5.15 -1.26 -0.58 115.26 115.67 1rfa n ASN 115 Ca 0.04 -3.19 -0.32 0.00 -0.60 0.00 0.00 54.58 50.51 1rfa n ASN 115 Cb 0.39 -0.69 0.03 0.00 -0.53 0.00 0.00 39.78 38.98 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 -2.95 3.66 0.14 -0.44 2.01 -1.19 -4.63 115.64 112.24 1rfa s THR 116 Ca 0.52 0.72 -0.14 0.00 0.31 0.00 0.00 61.69 63.11 1rfa s THR 116 Cb 0.42 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1rfa s THR 116 CO 0.12 -0.53 1.65 0.44 -0.69 0.00 0.00 174.62 175.61 1rfa h ASP 117 N 0.04 0.72 0.00 3.53 5.19 -1.91 0.20 116.42 124.19 1rfa h ASP 117 Ca -0.46 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 1rfa h ASP 117 Cb 1.23 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1rfa h ASP 117 CO 0.56 0.77 0.00 0.00 -3.12 0.00 0.00 179.24 177.45 1rfa n ALA 118 N -2.38 0.00 0.94 3.45 0.00 -1.26 -4.30 120.51 116.96 1rfa n ALA 118 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1rfa n ALA 118 Cb 0.22 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 3.12 0.72 0.00 0.00 -1.26 -1.86 120.51 121.23 1rfa n ALA 119 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1rfa n ALA 119 Cb 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.59 0.65 -0.99 0.00 7.64 -1.26 -3.50 113.62 114.57 1rfa n SER 120 Ca 0.06 -0.34 0.08 0.00 1.01 0.00 0.00 58.87 59.67 1rfa n SER 120 Cb 0.35 0.74 0.24 0.00 -1.01 0.00 0.00 64.21 64.52 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 -1.80 3.52 -4.73 -3.43 7.99 -0.83 -4.99 117.00 112.72 1rfa n LEU 121 Ca 0.03 -2.12 -0.42 0.00 -0.01 0.00 0.00 56.01 53.49 1rfa n LEU 121 Cb 0.40 -0.37 -0.03 0.00 -0.11 0.00 0.00 43.42 43.31 1rfa n LEU 121 CO 0.40 0.82 1.12 -0.51 -1.51 0.00 0.00 177.39 177.70 1rfa s ILE 122 N -1.22 2.80 0.00 -0.08 1.10 -0.77 -1.79 121.20 121.24 1rfa s ILE 122 Ca 0.36 0.63 0.00 0.00 -0.51 0.00 0.00 60.65 61.13 1rfa s ILE 122 Cb 0.20 -3.40 0.00 0.00 0.15 0.00 0.00 42.46 39.41 1rfa s ILE 122 CO 0.22 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.74 1rfa n GLY 123 N 2.77 0.77 0.00 1.50 0.00 0.20 -4.68 105.19 105.75 1rfa n GLY 123 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.32 3.84 -4.19 1.61 -0.58 -0.74 -5.02 120.64 113.24 1rfa n GLU 124 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1rfa n GLU 124 Cb 0.00 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 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 2.60 0.73 0.50 3.49 2.02 -1.26 -3.44 118.70 123.34 1rfa s GLU 125 Ca 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 54.89 1rfa s GLU 125 Cb 0.00 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.51 1rfa s GLU 125 CO 0.00 -0.00 0.28 -0.51 0.02 0.00 0.00 175.26 175.05 1rfa s LEU 126 N 0.55 2.75 0.11 1.80 1.02 0.17 -0.51 118.68 124.57 1rfa s LEU 126 Ca -0.07 -1.26 -0.19 0.00 0.02 0.00 0.00 54.13 52.63 1rfa s LEU 126 Cb -0.11 -1.20 0.05 0.00 0.02 0.00 0.00 46.19 44.94 1rfa s LEU 126 CO 0.00 -0.92 0.47 -1.58 0.02 0.00 0.00 176.35 174.34 1rfa s GLN 127 N -4.12 1.10 0.14 1.70 0.74 -0.80 -1.08 119.66 117.33 1rfa s GLN 127 Ca 0.31 -0.54 0.11 0.00 0.05 0.00 0.00 55.36 55.29 1rfa s GLN 127 Cb -0.00 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 1rfa s GLN 127 CO 0.18 -0.43 -0.24 0.08 -0.55 0.00 0.00 175.29 174.33 1rfa s VAL 128 N -3.42 2.44 0.23 1.34 1.01 -0.94 -1.00 120.40 120.05 1rfa s VAL 128 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 61.98 60.18 1rfa s VAL 128 Cb 0.01 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1rfa s VAL 128 CO -0.09 0.05 0.40 0.47 0.00 0.00 0.00 175.10 175.93 1rfa n ASP 129 N 0.75 -1.15 -4.86 3.32 8.00 0.18 -1.82 116.55 120.97 1rfa n ASP 129 Ca -0.16 -2.06 -0.31 0.00 0.71 0.00 0.00 54.79 52.96 1rfa n ASP 129 Cb 0.53 1.99 -0.04 0.00 -0.02 0.00 0.00 41.12 43.58 1rfa n ASP 129 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1rfa s PHE 130 N -4.34 3.43 0.00 1.24 -0.12 -1.26 0.60 117.98 117.53 1rfa s PHE 130 Ca 0.13 1.13 0.00 0.00 -0.05 0.00 0.00 56.93 58.14 1rfa s PHE 130 Cb -0.02 -2.49 0.00 0.00 -0.63 0.00 0.00 43.02 39.88 1rfa s PHE 130 CO 0.10 -0.03 0.00 1.47 -0.05 0.00 0.00 175.22 176.71 1rfa n LEU 131 N -0.91 0.00 0.00 -1.99 -0.00 -1.26 -4.41 117.00 108.43 1rfa n LEU 131 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.16 1rfa n LEU 131 Cb 0.54 0.00 0.71 0.00 -0.00 0.00 0.00 43.42 44.67 1rfa n LEU 131 CO 0.45 0.00 0.90 0.47 -0.00 0.00 0.00 177.39 179.21