#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 0.00 -4.13 -3.46 2.85 -1.26 -4.84 115.26 104.42 1rfa n ASN 56 Ca 0.00 -1.12 -0.14 0.00 -0.11 0.00 0.00 54.58 53.20 1rfa n ASN 56 Cb 0.00 -0.02 -0.11 0.00 1.24 0.00 0.00 39.78 40.88 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1rfa s THR 57 N 0.00 0.82 0.18 -0.44 -4.23 -1.26 -0.99 115.64 109.71 1rfa s THR 57 Ca 0.00 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1rfa s THR 57 Cb 0.00 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.80 1rfa s THR 57 CO 0.00 -0.44 0.38 -0.63 -0.54 0.00 0.00 174.62 173.38 1rfa s ILE 58 N -1.88 0.05 0.23 2.99 1.01 -0.28 -0.40 121.20 122.92 1rfa s ILE 58 Ca -0.01 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.56 1rfa s ILE 58 Cb -0.06 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1rfa s ILE 58 CO 0.00 -0.23 0.13 -0.13 0.00 0.00 0.00 174.94 174.71 1rfa s ARG 59 N -3.93 2.74 -0.15 2.79 3.00 -1.08 -0.33 118.95 121.99 1rfa s ARG 59 Ca 0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 55.73 54.74 1rfa s ARG 59 Cb 0.02 -2.47 0.04 0.00 0.00 0.00 0.00 34.95 32.54 1rfa s ARG 59 CO -0.01 0.41 -0.00 0.08 0.00 0.00 0.00 175.30 175.78 1rfa s VAL 60 N -2.08 0.66 -0.05 3.52 1.01 0.58 -0.19 120.40 123.85 1rfa s VAL 60 Ca 0.32 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1rfa s VAL 60 Cb -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1rfa s VAL 60 CO 0.23 0.05 0.21 -0.36 0.00 0.00 0.00 175.10 175.23 1rfa s PHE 61 N 1.82 3.59 0.56 5.22 0.40 0.24 -1.49 117.98 128.32 1rfa s PHE 61 Ca 0.02 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1rfa s PHE 61 Cb -0.15 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.46 1rfa s PHE 61 CO -0.07 0.68 0.78 -0.51 0.70 0.00 0.00 175.22 176.80 1rfa s LEU 62 N -1.44 3.26 0.13 -0.37 2.01 0.15 -0.75 118.68 121.67 1rfa s LEU 62 Ca 0.22 -0.02 0.26 0.00 0.01 0.00 0.00 54.13 54.61 1rfa s LEU 62 Cb -0.13 -2.85 0.82 0.00 0.01 0.00 0.00 46.19 44.04 1rfa s LEU 62 CO 0.11 -1.17 1.71 -2.65 1.01 0.00 0.00 176.35 175.37 1rfa n PRO 63 N -2.36 0.18 -0.55 1.29 -0.02 -1.18 -0.99 135.00 131.37 1rfa n PRO 63 Ca 0.08 0.12 -0.04 0.00 -2.02 0.00 0.00 63.50 61.65 1rfa n PRO 63 Cb 0.60 -1.69 0.16 0.00 -0.02 0.00 0.00 33.50 32.55 1rfa n PRO 63 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1rfa n ASN 64 N -1.99 3.45 -0.00 2.55 6.94 -1.26 -4.82 115.26 120.13 1rfa n ASN 64 Ca 0.06 -2.65 -0.00 0.00 -0.02 0.00 0.00 54.58 51.97 1rfa n ASN 64 Cb 0.40 -0.63 -0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1rfa n LYS 65 N 0.02 -0.15 -1.48 -3.83 4.76 -0.16 -4.97 118.16 112.34 1rfa n LYS 65 Ca 0.22 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.55 1rfa n LYS 65 Cb 0.92 -3.16 0.09 0.00 -1.84 0.00 0.00 35.03 31.04 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 -2.71 -0.24 -3.55 1.97 1.13 -1.24 -4.67 117.38 108.07 1rfa n GLN 66 Ca -0.00 -1.44 -0.11 0.00 -1.94 0.00 0.00 57.00 53.52 1rfa n GLN 66 Cb 0.04 -0.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.78 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 -4.32 1.35 -0.03 -1.09 3.03 -1.26 0.34 118.95 116.98 1rfa s ARG 67 Ca 0.42 -0.63 -0.31 0.00 2.03 0.00 0.00 55.73 57.24 1rfa s ARG 67 Cb -0.02 0.57 0.12 0.00 -1.03 0.00 0.00 34.95 34.60 1rfa s ARG 67 CO 0.28 -0.59 1.31 -0.08 -1.13 0.00 0.00 175.30 175.09 1rfa s THR 68 N -3.80 0.00 0.07 4.99 -1.32 -0.56 -4.93 115.64 110.09 1rfa s THR 68 Ca 0.04 -0.19 0.10 0.00 -1.21 0.00 0.00 61.69 60.43 1rfa s THR 68 Cb -0.01 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.89 1rfa s THR 68 CO -0.08 0.00 -0.26 0.54 -2.21 0.00 0.00 174.62 172.61 1rfa s VAL 69 N -2.34 2.22 0.09 5.08 0.11 -1.26 -0.31 120.40 123.99 1rfa s VAL 69 Ca 0.15 -1.49 0.02 0.00 -2.93 0.00 0.00 61.98 57.73 1rfa s VAL 69 Cb 0.05 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1rfa s VAL 69 CO -0.04 0.28 -0.07 0.68 -3.33 0.00 0.00 175.10 172.62 1rfa s VAL 70 N -0.89 0.68 0.08 2.04 -7.23 0.55 -4.93 120.40 110.70 1rfa s VAL 70 Ca 0.13 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1rfa s VAL 70 Cb -0.10 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1rfa s VAL 70 CO 0.03 -0.82 -0.07 0.20 -0.31 0.00 0.00 175.10 174.14 1rfa s ASN 71 N -2.88 4.58 -0.15 4.85 0.01 -1.26 -1.12 114.94 118.97 1rfa s ASN 71 Ca 0.09 -0.29 -0.06 0.00 -0.71 0.00 0.00 52.86 51.89 1rfa s ASN 71 Cb 0.04 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 1rfa s ASN 71 CO -0.04 0.20 0.08 -0.69 -1.51 0.00 0.00 177.10 175.13 1rfa s VAL 72 N -1.20 4.94 0.00 1.60 1.01 -0.17 -4.97 120.40 121.62 1rfa s VAL 72 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1rfa s VAL 72 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1rfa s VAL 72 CO 0.14 0.53 0.00 0.54 0.00 0.00 0.00 175.10 176.31 1rfa n ARG 73 N 2.81 3.12 -3.39 2.72 3.00 -1.26 -4.92 116.66 118.74 1rfa n ARG 73 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.28 1rfa n ARG 73 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.93 1rfa n ARG 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1rfa s ASN 74 N 0.12 6.83 0.00 0.55 2.47 -1.26 -4.33 114.94 119.32 1rfa s ASN 74 Ca 0.00 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.27 1rfa s ASN 74 Cb 0.00 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1rfa s ASN 74 CO 0.00 0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.20 1rfa n GLY 75 N 2.24 0.82 0.00 1.21 0.00 -1.26 -5.07 105.19 103.13 1rfa n GLY 75 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1rfa n GLY 75 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1rfa n MET 76 N -1.13 0.00 -0.49 1.61 0.00 -1.26 -4.86 117.12 110.99 1rfa n MET 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1rfa n MET 76 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.63 1rfa n MET 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1rfa n SER 77 N 0.00 -3.38 -0.09 3.17 7.64 -1.26 -3.61 113.62 116.10 1rfa n SER 77 Ca 0.00 0.38 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 1rfa n SER 77 Cb 0.00 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.36 1rfa n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rfa h LEU 78 N 0.53 -1.51 0.20 -3.43 -0.00 -1.35 1.31 115.31 111.06 1rfa h LEU 78 Ca 0.00 0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1rfa h LEU 78 Cb 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1rfa h LEU 78 CO 0.00 -0.40 -0.10 0.45 -0.00 0.00 0.00 178.44 178.39 1rfa h HIS 79 N -0.41 -0.25 0.00 1.13 3.86 -0.97 0.55 115.15 119.07 1rfa h HIS 79 Ca 0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1rfa h HIS 79 Cb 0.61 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1rfa h HIS 79 CO -0.60 -0.10 0.00 -0.44 0.86 0.00 0.00 177.93 177.64 1rfa h ASP 80 N -0.33 0.00 1.00 2.45 5.19 -1.15 0.59 116.42 124.17 1rfa h ASP 80 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1rfa h ASP 80 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1rfa h ASP 80 CO 0.04 0.00 -1.01 0.00 -3.12 0.00 0.00 179.24 175.15 1rfa n LEU 82 N -2.70 0.00 0.00 0.00 7.99 0.18 -3.72 117.00 118.76 1rfa n LEU 82 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.07 1rfa n LEU 82 Cb 0.57 0.04 0.40 0.00 -0.11 0.00 0.00 43.42 44.32 1rfa n LEU 82 CO 0.40 0.04 0.72 0.80 -1.51 0.00 0.00 177.39 177.84 1rfa n MET 83 N -2.19 0.24 0.09 3.23 1.56 0.20 0.60 117.12 120.85 1rfa n MET 83 Ca -0.06 0.13 -0.05 0.00 -0.27 0.00 0.00 57.70 57.46 1rfa n MET 83 Cb 0.53 -1.50 -0.02 0.00 2.15 0.00 0.00 33.22 34.38 1rfa n MET 83 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1rfa h LYS 84 N 0.00 -0.30 0.48 2.12 6.56 -1.64 -3.33 116.57 120.47 1rfa h LYS 84 Ca 0.00 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1rfa h LYS 84 Cb 0.14 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 1rfa h LYS 84 CO 0.00 -0.20 -0.41 0.00 -2.06 0.00 0.00 179.45 176.79 1rfa h ALA 85 N -1.27 -0.93 0.00 3.86 0.00 -0.24 -1.54 119.26 119.13 1rfa h ALA 85 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1rfa h ALA 85 Cb 0.24 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1rfa h ALA 85 CO 0.05 -1.06 -0.55 -0.07 0.00 0.00 0.00 179.25 177.62 1rfa h LEU 86 N -0.88 0.00 -0.43 0.00 3.38 -0.09 -0.75 115.31 116.54 1rfa h LEU 86 Ca -0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1rfa h LEU 86 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1rfa h LEU 86 CO -0.02 0.55 0.13 0.50 0.09 0.00 0.00 178.44 179.69 1rfa h LYS 87 N 0.00 0.28 -0.37 1.13 3.11 -1.56 1.33 116.57 120.48 1rfa h LYS 87 Ca -0.01 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1rfa h LYS 87 Cb 1.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 1rfa h LYS 87 CO 0.07 0.18 0.14 0.28 -2.81 0.00 0.00 179.45 177.31 1rfa h VAL 88 N 0.29 1.15 0.01 2.00 2.07 -0.14 -2.94 116.25 118.69 1rfa h VAL 88 Ca 0.20 -0.48 -0.29 0.00 0.82 0.00 0.00 66.70 66.95 1rfa h VAL 88 Cb 0.21 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1rfa h VAL 88 CO -0.23 0.18 -1.65 0.03 0.02 0.00 0.00 177.57 175.92 1rfa h ARG 89 N 0.53 0.03 0.00 1.57 3.08 -0.63 -3.48 114.38 115.48 1rfa h ARG 89 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1rfa h ARG 89 Cb 0.13 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1rfa h ARG 89 CO -0.01 0.61 0.00 0.41 -1.07 0.00 0.00 179.97 179.91 1rfa n GLY 90 N 1.57 1.84 3.80 0.04 0.00 0.39 -5.07 105.19 107.76 1rfa n GLY 90 Ca -0.16 0.00 -0.28 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 2.73 0.08 0.99 1.43 0.23 -5.00 118.68 119.15 1rfa s LEU 91 Ca 0.00 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.85 1rfa s LEU 91 Cb 0.00 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 1rfa s LEU 91 CO 0.00 -0.83 -0.14 0.00 0.23 0.00 0.00 176.35 175.61 1rfa s GLN 92 N -4.03 0.86 0.00 1.70 -2.07 -1.26 -4.09 119.66 110.77 1rfa s GLN 92 Ca 0.29 -1.03 0.18 0.00 -1.82 0.00 0.00 55.36 52.98 1rfa s GLN 92 Cb 0.01 -0.81 -0.09 0.00 -1.09 0.00 0.00 33.01 31.03 1rfa s GLN 92 CO 0.16 0.17 0.87 -0.35 -1.32 0.00 0.00 175.29 174.83 1rfa n PRO 93 N 1.07 1.32 0.26 9.60 -0.04 -1.26 -4.22 135.00 141.73 1rfa n PRO 93 Ca -0.20 -0.51 0.14 0.00 -0.04 0.00 0.00 63.50 62.90 1rfa n PRO 93 Cb 0.55 -1.35 0.63 0.00 -0.04 0.00 0.00 33.50 33.28 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 1.18 0.00 -0.33 0.54 3.07 -1.99 -1.80 114.58 115.25 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 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1rfa h GLU 94 CO 0.00 0.10 0.00 0.00 -1.40 0.00 0.00 179.01 177.71 1rfa s ALA 97 N -3.27 2.32 0.17 0.00 0.00 -0.33 -4.51 121.76 116.14 1rfa s ALA 97 Ca 0.33 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1rfa s ALA 97 Cb 0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1rfa s ALA 97 CO 0.13 0.41 0.21 0.54 0.00 0.00 0.00 175.76 177.05 1rfa s VAL 98 N -0.16 4.88 0.16 0.00 0.11 -1.26 0.10 120.40 124.23 1rfa s VAL 98 Ca -0.03 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 1rfa s VAL 98 Cb -0.14 -3.52 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 1rfa s VAL 98 CO 0.04 -0.13 0.29 -0.36 -3.33 0.00 0.00 175.10 171.61 1rfa s PHE 99 N -1.78 0.34 0.06 1.54 0.40 0.83 -2.79 117.98 116.58 1rfa s PHE 99 Ca 0.33 -0.71 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1rfa s PHE 99 Cb -0.10 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 1rfa s PHE 99 CO 0.26 -0.71 0.10 0.50 0.70 0.00 0.00 175.22 176.07 1rfa s ARG 100 N -3.95 3.00 0.94 0.44 3.52 0.29 -0.25 118.95 122.95 1rfa s ARG 100 Ca 0.15 -0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 1rfa s ARG 100 Cb 0.03 -2.80 0.17 0.00 -1.56 0.00 0.00 34.95 30.79 1rfa s ARG 100 CO -0.01 0.59 1.22 -0.51 -0.81 0.00 0.00 175.30 175.77 1rfa s LEU 101 N -2.28 2.24 -0.97 -0.88 1.43 -0.08 0.28 118.68 118.42 1rfa s LEU 101 Ca 0.29 0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 53.79 1rfa s LEU 101 Cb -0.12 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.44 1rfa s LEU 101 CO 0.21 -2.67 1.22 -1.48 0.23 0.00 0.00 176.35 173.86 1rfa s LEU 102 N -5.98 4.68 0.00 1.79 0.05 -1.26 -4.35 118.68 113.62 1rfa s LEU 102 Ca 0.68 -1.95 0.23 0.00 0.05 0.00 0.00 54.13 53.14 1rfa s LEU 102 Cb -0.09 -2.44 0.04 0.00 -2.05 0.00 0.00 46.19 41.65 1rfa s LEU 102 CO 0.52 -1.15 1.07 1.41 -0.55 0.00 0.00 176.35 177.65 1rfa n HIS 103 N 7.07 0.03 -2.26 3.48 8.25 -1.26 -4.18 115.22 126.35 1rfa n HIS 103 Ca 0.27 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1rfa n HIS 103 Cb 0.49 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.57 0.00 -4.09 -0.41 4.71 -1.26 -5.10 120.64 112.92 1rfa n GLU 104 Ca 0.04 -1.46 -0.10 0.00 -0.01 0.00 0.00 57.16 55.63 1rfa n GLU 104 Cb 0.35 0.05 -0.08 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 0.75 -0.05 -0.32 0.09 -1.26 -5.15 115.29 109.35 1rfa s HIS 105 Ca 0.18 -1.05 0.00 0.00 -0.00 0.00 0.00 55.06 54.19 1rfa s HIS 105 Cb 0.21 -0.24 0.02 0.00 -0.00 0.00 0.00 32.58 32.57 1rfa s HIS 105 CO -0.09 -0.74 -0.02 0.15 -0.00 0.00 0.00 174.74 174.04 1rfa s LYS 106 N -4.07 0.64 0.00 1.40 3.01 -1.26 -4.77 119.74 114.69 1rfa s LYS 106 Ca 0.28 -0.01 0.00 0.00 -1.01 0.00 0.00 55.97 55.23 1rfa s LYS 106 Cb 0.04 -0.76 0.00 0.00 -1.01 0.00 0.00 37.83 36.10 1rfa s LYS 106 CO 0.07 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.20 1rfa n GLY 107 N 4.29 0.77 3.29 -3.33 0.00 -1.26 -4.98 105.19 103.98 1rfa n GLY 107 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.42 0.44 0.32 1.61 1.02 -1.26 -5.15 119.74 116.30 1rfa s LYS 108 Ca 0.00 0.72 -0.04 0.00 0.02 0.00 0.00 55.97 56.67 1rfa s LYS 108 Cb 0.00 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1rfa s LYS 108 CO 0.00 -0.12 0.57 0.15 -0.92 0.00 0.00 175.35 175.03 1rfa s LYS 109 N 0.94 3.59 -0.24 1.68 1.02 -1.26 -4.42 119.74 121.04 1rfa s LYS 109 Ca -0.06 -0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 1rfa s LYS 109 Cb -0.06 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1rfa s LYS 109 CO -0.08 0.16 0.80 0.00 -0.92 0.00 0.00 175.35 175.31 1rfa s ALA 110 N -2.19 3.64 0.16 5.17 0.00 0.14 -4.90 121.76 123.78 1rfa s ALA 110 Ca 0.43 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1rfa s ALA 110 Cb -0.10 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1rfa s ALA 110 CO 0.33 -0.91 0.45 0.50 0.00 0.00 0.00 175.76 176.13 1rfa s ARG 111 N 2.78 3.74 0.15 0.00 3.00 -1.26 0.11 118.95 127.47 1rfa s ARG 111 Ca 0.33 0.14 0.01 0.00 -1.00 0.00 0.00 55.73 55.21 1rfa s ARG 111 Cb -0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 34.95 31.97 1rfa s ARG 111 CO 0.07 0.44 0.04 1.28 0.00 0.00 0.00 175.30 177.13 1rfa n LEU 112 N 0.26 0.00 -4.74 -0.88 4.77 -1.12 -4.88 117.00 110.42 1rfa n LEU 112 Ca -0.03 -1.08 -0.28 0.00 -0.03 0.00 0.00 56.01 54.59 1rfa n LEU 112 Cb 0.52 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.83 1rfa n LEU 112 CO 0.45 -0.16 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.46 1rfa s ASP 113 N -1.89 5.24 0.00 -1.43 2.15 -1.26 -4.80 116.67 114.68 1rfa s ASP 113 Ca 0.05 -0.19 0.16 0.00 0.43 0.00 0.00 52.55 53.00 1rfa s ASP 113 Cb 0.00 -1.29 0.93 0.00 -0.30 0.00 0.00 42.92 42.26 1rfa s ASP 113 CO 0.04 0.11 1.57 0.79 -0.17 0.00 0.00 175.17 177.50 1rfa n TRP 114 N -0.02 0.00 -1.56 -5.34 5.03 -1.26 -0.66 117.44 113.64 1rfa n TRP 114 Ca -0.09 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.50 1rfa n TRP 114 Cb 0.54 0.00 0.12 0.00 -1.03 0.00 0.00 31.31 30.94 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 -0.75 1.59 -4.77 -0.99 5.15 -1.26 -0.33 115.26 113.89 1rfa n ASN 115 Ca 0.12 -3.00 -0.35 0.00 -0.60 0.00 0.00 54.58 50.75 1rfa n ASN 115 Cb 0.05 -0.40 0.01 0.00 -0.53 0.00 0.00 39.78 38.91 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 -2.12 3.19 -0.84 -0.44 2.01 0.17 -4.20 115.64 113.40 1rfa s THR 116 Ca 0.28 0.72 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 1rfa s THR 116 Cb 0.27 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1rfa s THR 116 CO -0.03 -0.18 1.46 1.51 -0.69 0.00 0.00 174.62 176.69 1rfa s ASP 117 N -1.87 6.09 0.05 3.53 -4.77 -1.26 -1.46 116.67 116.98 1rfa s ASP 117 Ca 0.72 -0.73 0.12 0.00 -3.30 0.00 0.00 52.55 49.36 1rfa s ASP 117 Cb -0.23 -2.56 0.54 0.00 -1.09 0.00 0.00 42.92 39.58 1rfa s ASP 117 CO 0.28 -1.86 1.39 0.00 0.70 0.00 0.00 175.17 175.68 1rfa n ALA 118 N 9.99 1.48 1.46 2.11 0.00 -1.26 0.09 120.51 134.37 1rfa n ALA 118 Ca 0.19 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.76 1rfa n ALA 118 Cb 0.50 -1.20 0.76 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.55 2.48 0.55 0.00 0.00 -1.26 -1.38 120.51 119.36 1rfa n ALA 119 Ca 0.02 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1rfa n ALA 119 Cb 0.13 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.26 0.75 -1.35 0.00 2.88 0.11 -3.79 113.62 110.97 1rfa n SER 120 Ca 0.15 -0.59 0.09 0.00 -1.33 0.00 0.00 58.87 57.19 1rfa n SER 120 Cb 0.22 1.34 0.32 0.00 -0.75 0.00 0.00 64.21 65.34 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 -1.72 4.37 -4.75 2.46 7.99 -0.48 -4.98 117.00 119.89 1rfa n LEU 121 Ca 0.01 -2.44 -0.41 0.00 -0.01 0.00 0.00 56.01 53.16 1rfa n LEU 121 Cb 0.38 -0.52 -0.03 0.00 -0.11 0.00 0.00 43.42 43.14 1rfa n LEU 121 CO 0.40 0.79 1.03 -0.51 -1.51 0.00 0.00 177.39 177.59 1rfa s ILE 122 N -1.82 2.90 0.00 -0.08 1.10 -0.51 -2.74 121.20 120.05 1rfa s ILE 122 Ca 0.46 0.77 0.00 0.00 -0.51 0.00 0.00 60.65 61.37 1rfa s ILE 122 Cb 0.30 -3.49 0.00 0.00 0.15 0.00 0.00 42.46 39.41 1rfa s ILE 122 CO 0.22 0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.79 1rfa n GLY 123 N 2.02 0.92 0.00 1.50 0.00 0.46 -4.66 105.19 105.44 1rfa n GLY 123 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.52 0.00 -4.52 1.61 -0.58 -1.11 -5.03 120.64 110.49 1rfa n GLU 124 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1rfa n GLU 124 Cb 0.48 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.19 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 0.54 1.21 0.38 3.49 2.02 -1.26 -2.64 118.70 122.44 1rfa s GLU 125 Ca 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.68 1rfa s GLU 125 Cb 0.00 -1.10 -0.06 0.00 0.10 0.00 0.00 34.13 33.07 1rfa s GLU 125 CO 0.00 0.15 0.07 -0.51 0.02 0.00 0.00 175.26 174.99 1rfa s LEU 126 N 0.16 3.00 0.13 1.80 1.02 0.74 -0.90 118.68 124.63 1rfa s LEU 126 Ca -0.04 -1.10 -0.00 0.00 0.02 0.00 0.00 54.13 53.01 1rfa s LEU 126 Cb -0.10 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1rfa s LEU 126 CO 0.01 -0.39 0.03 -1.58 0.02 0.00 0.00 176.35 174.44 1rfa s GLN 127 N -3.78 0.92 0.04 1.70 0.74 0.65 -0.59 119.66 119.34 1rfa s GLN 127 Ca 0.37 -1.43 0.06 0.00 0.05 0.00 0.00 55.36 54.41 1rfa s GLN 127 Cb 0.03 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.22 1rfa s GLN 127 CO 0.20 -0.20 -0.18 0.08 -0.55 0.00 0.00 175.29 174.64 1rfa s VAL 128 N -3.92 1.48 0.00 1.34 1.01 0.07 -0.12 120.40 120.26 1rfa s VAL 128 Ca 0.21 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1rfa s VAL 128 Cb 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1rfa s VAL 128 CO 0.00 0.15 0.00 -0.67 0.00 0.00 0.00 175.10 174.58 1rfa n ASP 129 N 1.89 0.03 -4.63 3.32 -0.08 0.29 -3.11 116.55 114.25 1rfa n ASP 129 Ca -0.17 -0.32 -0.29 0.00 -1.51 0.00 0.00 54.79 52.50 1rfa n ASP 129 Cb 0.54 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.16 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 -1.30 2.12 0.00 -0.67 -0.12 -1.26 -1.19 117.98 115.56 1rfa s PHE 130 Ca 0.00 0.84 0.00 0.00 -0.05 0.00 0.00 56.93 57.72 1rfa s PHE 130 Cb 0.00 -3.38 0.00 0.00 -0.63 0.00 0.00 43.02 39.01 1rfa s PHE 130 CO 0.00 -2.75 0.00 1.47 -0.05 0.00 0.00 175.22 173.89 1rfa n LEU 131 N -4.04 0.00 0.00 -1.99 -0.00 -1.21 -1.57 117.00 108.19 1rfa n LEU 131 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1rfa n LEU 131 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1rfa n LEU 131 CO 0.56 0.00 0.22 0.47 -0.00 0.00 0.00 177.39 178.64