#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 0.01 -4.00 -3.46 5.15 -1.26 -4.80 115.26 106.90 1rfa n ASN 56 Ca 0.00 -1.62 -0.19 0.00 -0.60 0.00 0.00 54.58 52.16 1rfa n ASN 56 Cb 0.00 -0.09 -0.15 0.00 -0.53 0.00 0.00 39.78 39.01 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 0.73 0.06 -0.44 -4.23 -1.26 -2.36 115.64 108.13 1rfa s THR 57 Ca 0.03 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 1rfa s THR 57 Cb 0.04 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1rfa s THR 57 CO -0.02 0.22 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.60 1rfa s ILE 58 N 0.07 0.44 -0.00 2.99 1.01 -0.32 -0.38 121.20 125.01 1rfa s ILE 58 Ca -0.01 -1.54 0.02 0.00 0.00 0.00 0.00 60.65 59.12 1rfa s ILE 58 Cb -0.07 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1rfa s ILE 58 CO 0.00 -0.74 -0.02 -0.13 0.00 0.00 0.00 174.94 174.05 1rfa s ARG 59 N -2.97 2.71 -0.23 2.79 3.00 -1.06 -0.02 118.95 123.18 1rfa s ARG 59 Ca 0.01 -0.64 0.02 0.00 0.00 0.00 0.00 55.73 55.12 1rfa s ARG 59 Cb 0.00 -2.62 0.04 0.00 0.00 0.00 0.00 34.95 32.37 1rfa s ARG 59 CO -0.04 0.62 -0.14 0.08 0.00 0.00 0.00 175.30 175.81 1rfa s VAL 60 N -1.04 2.18 -0.02 3.52 1.01 0.83 0.98 120.40 127.87 1rfa s VAL 60 Ca 0.18 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 1rfa s VAL 60 Cb -0.11 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1rfa s VAL 60 CO 0.09 0.23 0.30 -0.36 0.00 0.00 0.00 175.10 175.35 1rfa s PHE 61 N 1.20 3.64 0.56 5.22 0.40 -0.15 -1.73 117.98 127.12 1rfa s PHE 61 Ca -0.02 0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1rfa s PHE 61 Cb -0.17 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1rfa s PHE 61 CO -0.08 0.65 0.80 -0.51 0.70 0.00 0.00 175.22 176.77 1rfa s LEU 62 N -1.33 3.27 0.00 -0.37 2.01 0.13 -1.05 118.68 121.34 1rfa s LEU 62 Ca 0.23 0.14 0.30 0.00 0.01 0.00 0.00 54.13 54.81 1rfa s LEU 62 Cb -0.14 -2.98 1.39 0.00 0.01 0.00 0.00 46.19 44.46 1rfa s LEU 62 CO 0.12 -1.13 1.95 -2.65 1.01 0.00 0.00 176.35 175.64 1rfa n PRO 63 N -2.39 0.89 -0.28 1.29 -0.02 -1.20 -0.54 135.00 132.75 1rfa n PRO 63 Ca 0.07 -0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.34 1rfa n PRO 63 Cb 0.59 -1.49 0.18 0.00 -0.02 0.00 0.00 33.50 32.76 1rfa n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rfa n ASN 64 N -0.82 2.49 0.00 2.55 5.15 -1.26 -4.85 115.26 118.52 1rfa n ASN 64 Ca 0.17 -2.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 1rfa n ASN 64 Cb 0.25 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1rfa n LYS 65 N 0.56 0.00 -0.46 1.20 4.76 0.30 -4.99 118.16 119.53 1rfa n LYS 65 Ca 0.14 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.56 1rfa n LYS 65 Cb 0.45 -2.84 0.01 0.00 -1.84 0.00 0.00 35.03 30.80 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 -2.85 0.31 -3.67 1.97 1.13 -1.23 -4.64 117.38 108.41 1rfa n GLN 66 Ca 0.00 -0.12 -0.08 0.00 -1.94 0.00 0.00 57.00 54.86 1rfa n GLN 66 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 30.24 30.28 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 -2.78 1.45 0.00 -1.09 3.03 -1.25 0.17 118.95 118.48 1rfa s ARG 67 Ca 0.03 -0.71 0.00 0.00 2.03 0.00 0.00 55.73 57.09 1rfa s ARG 67 Cb -0.00 0.55 0.00 0.00 -1.03 0.00 0.00 34.95 34.47 1rfa s ARG 67 CO 0.02 -0.65 0.00 -2.37 -1.13 0.00 0.00 175.30 171.17 1rfa n THR 68 N -0.41 0.00 -4.83 4.99 5.66 -0.70 -4.91 114.28 114.07 1rfa n THR 68 Ca -0.09 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.59 1rfa n THR 68 Cb 0.61 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.26 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 2.82 0.18 1.08 0.11 -1.26 -0.12 120.40 121.21 1rfa s VAL 69 Ca 0.00 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1rfa s VAL 69 Cb 0.00 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 1rfa s VAL 69 CO 0.00 0.47 -0.09 0.68 -3.33 0.00 0.00 175.10 172.83 1rfa s VAL 70 N -0.81 1.29 0.13 2.04 -7.23 0.97 -4.93 120.40 111.85 1rfa s VAL 70 Ca 0.13 -2.09 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1rfa s VAL 70 Cb -0.10 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1rfa s VAL 70 CO 0.03 -0.63 -0.18 0.20 -0.31 0.00 0.00 175.10 174.20 1rfa s ASN 71 N -3.23 3.83 0.10 4.85 0.01 -1.26 -1.17 114.94 118.07 1rfa s ASN 71 Ca 0.20 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1rfa s ASN 71 Cb 0.02 -0.51 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 1rfa s ASN 71 CO 0.04 0.16 0.24 -0.69 -1.51 0.00 0.00 177.10 175.34 1rfa s VAL 72 N -1.25 5.32 0.05 1.60 1.01 -1.00 -4.98 120.40 121.16 1rfa s VAL 72 Ca 0.19 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1rfa s VAL 72 Cb -0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1rfa s VAL 72 CO 0.10 0.04 0.02 -0.13 0.00 0.00 0.00 175.10 175.13 1rfa s ARG 73 N -2.82 0.58 4.74 2.72 3.00 -1.26 -4.98 118.95 120.92 1rfa s ARG 73 Ca 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 55.73 55.08 1rfa s ARG 73 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 34.95 35.04 1rfa s ARG 73 CO 0.28 -0.12 0.00 0.09 0.00 0.00 0.00 175.30 175.55 1rfa n ASN 74 N 0.48 0.00 -3.30 0.23 3.02 -1.26 -0.75 115.26 113.68 1rfa n ASN 74 Ca -0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.10 1rfa n ASN 74 Cb 0.60 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 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 5.14 3.79 7.41 0.00 -1.26 -5.08 105.19 115.19 1rfa n GLY 75 Ca 0.00 -2.77 -0.32 0.00 0.00 0.00 0.00 46.02 42.93 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 -2.88 2.90 0.60 1.61 -1.94 0.07 -5.04 119.30 114.62 1rfa s MET 76 Ca 0.42 1.22 0.08 0.00 -1.71 0.00 0.00 55.69 55.71 1rfa s MET 76 Cb 0.19 -1.97 0.10 0.00 2.01 0.00 0.00 34.83 35.15 1rfa s MET 76 CO -0.05 -1.15 0.83 -1.12 -0.01 0.00 0.00 175.02 173.52 1rfa s SER 77 N -2.97 4.98 0.08 3.03 0.01 -1.26 -4.30 113.70 113.26 1rfa s SER 77 Ca 0.63 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.81 1rfa s SER 77 Cb -0.17 0.29 -0.17 0.00 0.21 0.00 0.00 66.02 66.17 1rfa s SER 77 CO 0.44 -1.43 1.67 -0.07 0.41 0.00 0.00 173.24 174.27 1rfa h LEU 78 N 0.07 -0.43 0.12 2.44 -0.00 -1.09 0.70 115.31 117.12 1rfa h LEU 78 Ca -0.30 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.58 1rfa h LEU 78 Cb 1.29 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1rfa h LEU 78 CO 0.40 -0.30 -0.06 0.45 -0.00 0.00 0.00 178.44 178.93 1rfa h HIS 79 N -0.51 -0.15 0.00 1.13 3.86 -0.79 0.83 115.15 119.53 1rfa h HIS 79 Ca -0.05 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1rfa h HIS 79 Cb 0.39 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1rfa h HIS 79 CO -0.05 -0.06 -0.14 -0.44 0.86 0.00 0.00 177.93 178.10 1rfa h ASP 80 N -0.20 0.00 0.15 2.45 3.32 -1.78 1.12 116.42 121.48 1rfa h ASP 80 Ca -0.02 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.79 1rfa h ASP 80 Cb 0.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.73 1rfa h ASP 80 CO 0.03 0.14 -1.05 0.00 -1.72 0.00 0.00 179.24 176.64 1rfa n LEU 82 N -3.97 1.56 0.18 0.00 4.77 0.28 -2.99 117.00 116.84 1rfa n LEU 82 Ca -0.14 0.32 0.18 0.00 -0.03 0.00 0.00 56.01 56.34 1rfa n LEU 82 Cb 0.91 -0.34 0.81 0.00 -2.33 0.00 0.00 43.42 42.48 1rfa n LEU 82 CO 0.54 0.58 1.16 -0.03 -1.33 0.00 0.00 177.39 178.30 1rfa h MET 83 N 0.03 0.00 0.16 3.23 4.05 0.11 0.73 114.93 123.25 1rfa h MET 83 Ca -0.35 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 58.77 1rfa h MET 83 Cb 2.03 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.85 1rfa h MET 83 CO 0.08 0.00 -1.30 -0.22 0.23 0.00 0.00 176.91 175.70 1rfa h LYS 84 N 0.00 0.45 -0.25 0.39 3.64 -1.56 0.24 116.57 119.49 1rfa h LYS 84 Ca 0.11 -0.70 -0.12 0.00 -1.27 0.00 0.00 60.65 58.67 1rfa h LYS 84 Cb 0.68 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1rfa h LYS 84 CO -0.00 1.32 -0.31 0.00 -2.27 0.00 0.00 179.45 178.19 1rfa h ALA 85 N 0.39 0.38 0.00 5.00 0.00 0.13 -2.68 119.26 122.48 1rfa h ALA 85 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1rfa h ALA 85 Cb 2.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1rfa h ALA 85 CO 0.23 0.41 -0.70 -0.07 0.00 0.00 0.00 179.25 179.12 1rfa h LEU 86 N 0.37 0.00 -0.41 0.00 3.38 0.09 -2.96 115.31 115.79 1rfa h LEU 86 Ca 0.03 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1rfa h LEU 86 Cb 0.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1rfa h LEU 86 CO 0.07 0.06 0.23 0.50 0.09 0.00 0.00 178.44 179.39 1rfa h LYS 87 N 0.00 0.45 -0.64 1.13 3.11 -0.38 1.44 116.57 121.66 1rfa h LYS 87 Ca 0.00 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.90 1rfa h LYS 87 Cb 0.86 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.95 1rfa h LYS 87 CO 0.00 0.30 0.43 0.28 -2.81 0.00 0.00 179.45 177.64 1rfa h VAL 88 N 0.46 0.92 0.07 2.00 2.07 -1.30 -2.64 116.25 117.84 1rfa h VAL 88 Ca 0.16 -0.17 -0.33 0.00 0.82 0.00 0.00 66.70 67.18 1rfa h VAL 88 Cb 0.03 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1rfa h VAL 88 CO -0.09 0.09 -1.85 0.03 0.02 0.00 0.00 177.57 175.77 1rfa h ARG 89 N 0.51 0.15 0.00 1.57 2.47 -1.28 -3.48 114.38 114.33 1rfa h ARG 89 Ca 0.29 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1rfa h ARG 89 Cb 0.48 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1rfa h ARG 89 CO -0.09 0.90 0.00 0.41 0.56 0.00 0.00 179.97 181.75 1rfa n GLY 90 N 1.79 1.95 3.81 0.04 0.00 0.43 -5.09 105.19 108.12 1rfa n GLY 90 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 3.04 0.07 0.99 1.43 0.20 -5.00 118.68 119.42 1rfa s LEU 91 Ca 0.00 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1rfa s LEU 91 Cb 0.00 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1rfa s LEU 91 CO 0.00 -0.71 -0.10 -1.10 0.23 0.00 0.00 176.35 174.67 1rfa s GLN 92 N -4.04 2.24 -0.04 1.70 -0.21 -1.26 -4.34 119.66 113.71 1rfa s GLN 92 Ca 0.39 -0.94 0.21 0.00 0.02 0.00 0.00 55.36 55.05 1rfa s GLN 92 Cb 0.01 -2.34 -0.32 0.00 1.00 0.00 0.00 33.01 31.35 1rfa s GLN 92 CO 0.22 0.54 0.44 -0.35 -2.12 0.00 0.00 175.29 174.02 1rfa n PRO 93 N 1.05 0.64 0.05 2.91 -0.04 -1.26 -4.10 135.00 134.25 1rfa n PRO 93 Ca -0.14 -0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1rfa n PRO 93 Cb 0.52 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.94 1rfa n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rfa n GLU 94 N -2.25 0.10 -0.45 0.54 4.71 -1.26 -1.13 120.64 120.91 1rfa n GLU 94 Ca -0.05 0.22 0.11 0.00 -0.01 0.00 0.00 57.16 57.43 1rfa n GLU 94 Cb 0.57 -1.65 0.34 0.00 -1.01 0.00 0.00 31.44 29.68 1rfa n GLU 94 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rfa s ALA 97 N -3.72 1.33 0.21 0.00 0.00 0.18 -4.48 121.76 115.27 1rfa s ALA 97 Ca 0.40 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1rfa s ALA 97 Cb 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1rfa s ALA 97 CO 0.21 0.31 0.16 0.54 0.00 0.00 0.00 175.76 176.98 1rfa s VAL 98 N -0.52 4.42 0.09 0.00 0.11 -1.26 0.10 120.40 123.34 1rfa s VAL 98 Ca 0.05 -1.26 -0.07 0.00 -2.93 0.00 0.00 61.98 57.77 1rfa s VAL 98 Cb -0.07 -3.32 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 1rfa s VAL 98 CO 0.00 -0.23 0.16 -0.36 -3.33 0.00 0.00 175.10 171.35 1rfa s PHE 99 N -1.94 0.24 0.09 1.54 0.40 0.16 -2.51 117.98 115.96 1rfa s PHE 99 Ca 0.32 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.81 1rfa s PHE 99 Cb -0.09 -0.12 -0.06 0.00 0.51 0.00 0.00 43.02 43.26 1rfa s PHE 99 CO 0.24 -0.53 0.51 1.03 0.70 0.00 0.00 175.22 177.17 1rfa s ARG 100 N -3.88 4.01 0.87 0.44 0.52 0.26 -1.12 118.95 120.04 1rfa s ARG 100 Ca 0.07 0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 55.66 1rfa s ARG 100 Cb 0.05 -3.09 0.12 0.00 0.52 0.00 0.00 34.95 32.55 1rfa s ARG 100 CO -0.10 0.58 1.22 -0.51 0.02 0.00 0.00 175.30 176.51 1rfa s LEU 101 N -1.51 2.50 -0.94 2.53 1.43 -1.10 -0.58 118.68 121.02 1rfa s LEU 101 Ca 0.32 0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 1rfa s LEU 101 Cb -0.17 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.09 1rfa s LEU 101 CO 0.18 -2.22 1.53 -1.48 0.23 0.00 0.00 176.35 174.59 1rfa s LEU 102 N -5.72 3.38 -0.00 1.79 2.34 -1.26 -4.44 118.68 114.77 1rfa s LEU 102 Ca 0.66 -1.08 0.10 0.00 0.06 0.00 0.00 54.13 53.86 1rfa s LEU 102 Cb -0.09 -2.56 -0.11 0.00 -0.56 0.00 0.00 46.19 42.86 1rfa s LEU 102 CO 0.51 -1.82 0.38 1.41 -1.06 0.00 0.00 176.35 175.76 1rfa n HIS 103 N 10.07 0.00 -2.03 3.48 8.25 -1.26 -4.54 115.22 129.19 1rfa n HIS 103 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1rfa n HIS 103 Cb 0.50 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.34 0.00 -4.35 -0.41 4.71 -1.26 -5.09 120.64 112.89 1rfa n GLU 104 Ca 0.01 -0.96 -0.20 0.00 -0.01 0.00 0.00 57.16 56.00 1rfa n GLU 104 Cb 0.17 -0.42 -0.09 0.00 -1.01 0.00 0.00 31.44 30.09 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 1.65 -0.06 -0.32 0.09 -1.26 -5.10 115.29 110.30 1rfa s HIS 105 Ca 0.02 -1.42 -0.00 0.00 -0.00 0.00 0.00 55.06 53.66 1rfa s HIS 105 Cb 0.02 -0.87 0.03 0.00 -0.00 0.00 0.00 32.58 31.76 1rfa s HIS 105 CO -0.01 -0.56 -0.02 0.21 -0.00 0.00 0.00 174.74 174.36 1rfa s LYS 106 N -3.73 0.65 0.00 1.40 2.47 -1.26 -4.80 119.74 114.46 1rfa s LYS 106 Ca 0.35 0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 1rfa s LYS 106 Cb 0.04 -0.85 0.00 0.00 -1.46 0.00 0.00 37.83 35.56 1rfa s LYS 106 CO 0.19 -0.20 0.00 0.41 0.16 0.00 0.00 175.35 175.91 1rfa n GLY 107 N 4.59 2.21 0.00 5.54 0.00 -1.26 -4.87 105.19 111.39 1rfa n GLY 107 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1rfa n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rfa n LYS 108 N 0.00 3.78 -3.80 1.61 0.00 -1.26 -5.02 118.16 113.47 1rfa n LYS 108 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 1rfa n LYS 108 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1rfa s LYS 109 N 3.64 0.72 -0.24 1.64 1.02 -1.26 -4.21 119.74 121.04 1rfa s LYS 109 Ca 0.00 -0.50 -0.18 0.00 0.02 0.00 0.00 55.97 55.30 1rfa s LYS 109 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1rfa s LYS 109 CO 0.00 -0.22 0.53 0.00 -0.92 0.00 0.00 175.35 174.74 1rfa s ALA 110 N -2.31 3.58 0.13 5.17 0.00 0.26 -4.91 121.76 123.68 1rfa s ALA 110 Ca -0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1rfa s ALA 110 Cb -0.02 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 1rfa s ALA 110 CO -0.02 -0.66 0.47 0.50 0.00 0.00 0.00 175.76 176.05 1rfa s ARG 111 N 2.13 3.82 0.00 0.00 3.00 -1.26 0.89 118.95 127.54 1rfa s ARG 111 Ca 0.23 0.27 0.00 0.00 -1.00 0.00 0.00 55.73 55.22 1rfa s ARG 111 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 31.89 1rfa s ARG 111 CO 0.09 0.49 0.00 1.28 0.00 0.00 0.00 175.30 177.16 1rfa n LEU 112 N 0.63 0.00 -4.68 -0.88 4.77 -1.05 -4.87 117.00 110.93 1rfa n LEU 112 Ca -0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 1rfa n LEU 112 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1rfa n LEU 112 CO 0.43 0.00 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.58 1rfa s ASP 113 N 0.76 4.65 0.00 -1.43 2.15 -1.26 -4.89 116.67 116.64 1rfa s ASP 113 Ca 0.00 -0.64 0.28 0.00 0.43 0.00 0.00 52.55 52.62 1rfa s ASP 113 Cb 0.00 -0.87 1.03 0.00 -0.30 0.00 0.00 42.92 42.78 1rfa s ASP 113 CO 0.00 -0.06 1.73 0.79 -0.17 0.00 0.00 175.17 177.46 1rfa n TRP 114 N -0.97 0.00 -1.19 -5.34 5.03 -1.26 -2.62 117.44 111.09 1rfa n TRP 114 Ca -0.06 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.53 1rfa n TRP 114 Cb 0.59 -0.09 0.20 0.00 -1.03 0.00 0.00 31.31 30.98 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 -0.50 2.85 -4.76 -0.99 5.15 -1.26 -0.07 115.26 115.67 1rfa n ASN 115 Ca 0.15 -3.31 -0.40 0.00 -0.60 0.00 0.00 54.58 50.43 1rfa n ASN 115 Cb 0.32 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 39.00 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 -2.99 3.29 -0.82 -0.44 2.01 -1.08 -4.36 115.64 111.25 1rfa s THR 116 Ca 0.39 1.24 -0.25 0.00 0.31 0.00 0.00 61.69 63.38 1rfa s THR 116 Cb 0.34 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1rfa s THR 116 CO 0.03 0.25 1.83 -0.62 -0.69 0.00 0.00 174.62 175.42 1rfa s ASP 117 N -0.89 5.39 0.21 3.53 2.15 -1.26 -0.87 116.67 124.93 1rfa s ASP 117 Ca 0.48 -0.46 0.20 0.00 0.43 0.00 0.00 52.55 53.20 1rfa s ASP 117 Cb -0.33 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 40.64 1rfa s ASP 117 CO 0.42 -2.44 1.61 0.00 -0.17 0.00 0.00 175.17 174.59 1rfa n ALA 118 N 12.77 1.48 1.51 3.66 0.00 -1.26 0.28 120.51 138.94 1rfa n ALA 118 Ca 0.31 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.98 1rfa n ALA 118 Cb 0.49 -1.32 0.77 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.71 2.47 0.35 0.00 0.00 -1.26 -1.14 120.51 119.23 1rfa n ALA 119 Ca 0.01 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1rfa n ALA 119 Cb 0.16 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.20 0.88 -1.46 0.00 2.88 0.14 -3.86 113.62 111.00 1rfa n SER 120 Ca 0.16 -0.40 0.08 0.00 -1.33 0.00 0.00 58.87 57.38 1rfa n SER 120 Cb 0.19 1.46 0.34 0.00 -0.75 0.00 0.00 64.21 65.45 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 -1.81 4.81 -4.75 2.46 7.99 -0.36 -4.98 117.00 120.36 1rfa n LEU 121 Ca -0.00 -2.77 -0.41 0.00 -0.01 0.00 0.00 56.01 52.81 1rfa n LEU 121 Cb 0.38 -0.59 -0.03 0.00 -0.11 0.00 0.00 43.42 43.07 1rfa n LEU 121 CO 0.36 0.70 0.96 -0.51 -1.51 0.00 0.00 177.39 177.39 1rfa s ILE 122 N -2.44 3.11 0.00 -0.08 1.10 -0.29 -2.97 121.20 119.64 1rfa s ILE 122 Ca 0.48 0.98 0.00 0.00 -0.51 0.00 0.00 60.65 61.60 1rfa s ILE 122 Cb 0.36 -3.62 0.00 0.00 0.15 0.00 0.00 42.46 39.34 1rfa s ILE 122 CO 0.16 0.18 0.00 0.61 -2.11 0.00 0.00 174.94 173.78 1rfa n GLY 123 N 1.84 0.94 0.00 1.50 0.00 0.49 -4.61 105.19 105.34 1rfa n GLY 123 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.47 0.31 -4.94 1.61 -0.58 -1.16 -5.02 120.64 110.38 1rfa n GLU 124 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 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 -1.56 2.57 0.34 3.49 2.02 -1.26 -2.55 118.70 121.76 1rfa s GLU 125 Ca 0.00 -0.71 0.08 0.00 0.02 0.00 0.00 54.97 54.36 1rfa s GLU 125 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1rfa s GLU 125 CO 0.00 0.11 0.16 -0.51 0.02 0.00 0.00 175.26 175.04 1rfa s LEU 126 N 0.51 3.30 0.05 1.80 1.43 0.28 -2.70 118.68 123.35 1rfa s LEU 126 Ca -0.16 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1rfa s LEU 126 Cb -0.17 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1rfa s LEU 126 CO 0.06 -0.31 0.04 -1.58 0.23 0.00 0.00 176.35 174.79 1rfa s GLN 127 N -3.87 0.59 0.04 1.70 0.74 -0.28 -0.98 119.66 117.61 1rfa s GLN 127 Ca 0.38 -0.94 0.08 0.00 0.05 0.00 0.00 55.36 54.93 1rfa s GLN 127 Cb -0.03 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 1rfa s GLN 127 CO 0.23 -0.13 -0.22 0.08 -0.55 0.00 0.00 175.29 174.70 1rfa s VAL 128 N -3.12 1.78 0.00 1.34 1.01 -0.21 0.38 120.40 121.58 1rfa s VAL 128 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1rfa s VAL 128 Cb 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1rfa s VAL 128 CO -0.07 0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.62 1rfa n ASP 129 N 1.87 0.05 -4.81 3.32 -0.08 0.28 -3.23 116.55 113.95 1rfa n ASP 129 Ca -0.17 -0.48 -0.29 0.00 -1.51 0.00 0.00 54.79 52.34 1rfa n ASP 129 Cb 0.53 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.12 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 -1.44 2.60 0.06 -0.67 -0.12 -1.26 -0.65 117.98 116.50 1rfa s PHE 130 Ca 0.00 0.84 -0.30 0.00 -0.05 0.00 0.00 56.93 57.41 1rfa s PHE 130 Cb 0.00 -3.41 -0.09 0.00 -0.63 0.00 0.00 43.02 38.89 1rfa s PHE 130 CO 0.00 -2.25 1.92 -0.51 -0.05 0.00 0.00 175.22 174.33 1rfa s LEU 131 N -5.94 4.42 0.00 -1.99 1.43 -1.24 -2.69 118.68 112.67 1rfa s LEU 131 Ca 0.63 2.69 0.04 0.00 -1.03 0.00 0.00 54.13 56.47 1rfa s LEU 131 Cb -0.14 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1rfa s LEU 131 CO 0.52 -1.04 0.63 -0.67 0.23 0.00 0.00 176.35 176.03