#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 0.43 -4.11 -3.46 6.94 -1.26 -4.82 115.26 108.98 1rfa n ASN 56 Ca 0.00 -1.99 -0.08 0.00 -0.02 0.00 0.00 54.58 52.49 1rfa n ASN 56 Cb 0.00 -0.24 -0.10 0.00 -2.36 0.00 0.00 39.78 37.08 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1rfa s THR 57 N 0.00 0.21 0.28 5.53 -4.23 -1.26 -0.07 115.64 116.10 1rfa s THR 57 Ca 0.15 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1rfa s THR 57 Cb 0.17 -1.68 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 1rfa s THR 57 CO -0.08 -0.84 0.46 -0.63 -0.54 0.00 0.00 174.62 172.99 1rfa s ILE 58 N -3.94 0.00 0.19 2.99 1.01 -0.64 0.17 121.20 120.97 1rfa s ILE 58 Ca 0.12 -1.51 0.06 0.00 0.00 0.00 0.00 60.65 59.32 1rfa s ILE 58 Cb 0.08 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1rfa s ILE 58 CO -0.06 0.00 0.11 -0.13 0.00 0.00 0.00 174.94 174.85 1rfa s ARG 59 N -3.61 2.76 -0.18 2.79 3.00 -1.05 -0.52 118.95 122.13 1rfa s ARG 59 Ca 0.26 -0.99 -0.03 0.00 0.00 0.00 0.00 55.73 54.98 1rfa s ARG 59 Cb -0.00 -2.54 0.06 0.00 0.00 0.00 0.00 34.95 32.47 1rfa s ARG 59 CO 0.13 0.45 0.03 0.08 0.00 0.00 0.00 175.30 176.00 1rfa s VAL 60 N -1.85 0.53 0.03 3.52 1.01 0.61 -0.29 120.40 123.96 1rfa s VAL 60 Ca 0.31 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1rfa s VAL 60 Cb -0.09 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1rfa s VAL 60 CO 0.22 -0.17 0.35 -0.36 0.00 0.00 0.00 175.10 175.15 1rfa s PHE 61 N 1.86 3.61 0.67 5.22 0.40 0.81 -1.53 117.98 129.03 1rfa s PHE 61 Ca -0.01 0.75 -0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1rfa s PHE 61 Cb -0.17 -2.13 0.04 0.00 0.51 0.00 0.00 43.02 41.27 1rfa s PHE 61 CO -0.08 0.58 1.00 -0.51 0.70 0.00 0.00 175.22 176.92 1rfa s LEU 62 N -1.65 2.95 -1.34 -0.37 2.01 0.24 -2.13 118.68 118.39 1rfa s LEU 62 Ca 0.29 0.70 -0.12 0.00 0.01 0.00 0.00 54.13 55.00 1rfa s LEU 62 Cb -0.14 -3.42 0.11 0.00 0.01 0.00 0.00 46.19 42.75 1rfa s LEU 62 CO 0.16 -1.39 1.96 -2.65 1.01 0.00 0.00 176.35 175.44 1rfa n PRO 63 N -2.85 3.28 0.00 1.29 -0.02 -1.23 -4.18 135.00 131.28 1rfa n PRO 63 Ca 0.06 -3.19 0.00 0.00 -2.02 0.00 0.00 63.50 58.36 1rfa n PRO 63 Cb 0.59 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 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 5.21 0.00 0.00 2.55 0.23 -1.26 -4.98 115.26 117.01 1rfa n ASN 64 Ca 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 1rfa n ASN 64 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rfa n LYS 65 N -0.10 2.54 -2.30 -3.83 5.02 -1.26 -5.12 118.16 113.11 1rfa n LYS 65 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1rfa n LYS 65 Cb 0.00 -0.26 0.13 0.00 -0.02 0.00 0.00 35.03 34.87 1rfa n LYS 65 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1rfa s GLN 66 N -0.24 1.40 0.00 1.97 -1.52 -1.26 -4.76 119.66 115.25 1rfa s GLN 66 Ca 0.00 -0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 52.38 1rfa s GLN 66 Cb 0.00 -2.14 0.10 0.00 -0.22 0.00 0.00 33.01 30.76 1rfa s GLN 66 CO 0.00 -1.75 1.11 -0.98 -0.25 0.00 0.00 175.29 173.42 1rfa s ARG 67 N -5.42 0.69 -0.02 2.91 3.03 -1.26 0.80 118.95 119.68 1rfa s ARG 67 Ca 0.68 -0.34 -0.30 0.00 2.03 0.00 0.00 55.73 57.79 1rfa s ARG 67 Cb -0.06 0.26 0.12 0.00 -1.03 0.00 0.00 34.95 34.24 1rfa s ARG 67 CO 0.47 -0.31 1.30 -0.08 -1.13 0.00 0.00 175.30 175.55 1rfa s THR 68 N -2.79 0.00 -0.01 4.99 -1.32 -0.58 -4.91 115.64 111.02 1rfa s THR 68 Ca 0.11 -0.19 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1rfa s THR 68 Cb 0.01 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.75 1rfa s THR 68 CO -0.03 0.00 -0.08 0.54 -2.21 0.00 0.00 174.62 172.84 1rfa s VAL 69 N -2.29 3.53 0.17 5.08 0.11 -1.26 -0.29 120.40 125.44 1rfa s VAL 69 Ca 0.18 -0.77 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 1rfa s VAL 69 Cb 0.04 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 1rfa s VAL 69 CO -0.03 0.43 -0.14 0.68 -3.33 0.00 0.00 175.10 172.71 1rfa s VAL 70 N -0.94 1.56 0.05 2.04 -7.23 0.32 -4.94 120.40 111.26 1rfa s VAL 70 Ca 0.16 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1rfa s VAL 70 Cb -0.11 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1rfa s VAL 70 CO 0.06 -0.51 0.01 0.20 -0.31 0.00 0.00 175.10 174.55 1rfa s ASN 71 N -2.93 5.15 -0.03 4.85 0.01 -1.26 -1.63 114.94 119.10 1rfa s ASN 71 Ca 0.17 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 1rfa s ASN 71 Cb -0.02 -1.31 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 1rfa s ASN 71 CO 0.05 0.22 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.96 1rfa s VAL 72 N -1.22 1.72 0.30 1.60 1.01 0.90 -4.96 120.40 119.76 1rfa s VAL 72 Ca 0.23 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1rfa s VAL 72 Cb -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1rfa s VAL 72 CO 0.15 0.49 0.05 -1.14 0.00 0.00 0.00 175.10 174.65 1rfa n ARG 73 N 2.77 1.23 -2.69 2.72 3.00 -1.26 -4.75 116.66 117.67 1rfa n ARG 73 Ca -0.16 -2.14 -0.43 0.00 -0.00 0.00 0.00 57.85 55.11 1rfa n ARG 73 Cb 0.52 0.51 -0.02 0.00 0.00 0.00 0.00 32.46 33.47 1rfa n ARG 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1rfa s ASN 74 N -2.69 6.90 0.00 6.15 0.01 -1.26 -2.70 114.94 121.35 1rfa s ASN 74 Ca 0.04 1.01 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 1rfa s ASN 74 Cb -0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1rfa s ASN 74 CO 0.02 -0.82 0.00 0.61 -1.51 0.00 0.00 177.10 175.40 1rfa n GLY 75 N 3.89 1.30 3.98 0.66 0.00 -1.26 -5.08 105.19 108.68 1rfa n GLY 75 Ca 0.11 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.56 3.15 0.36 1.61 -1.94 -1.10 -5.11 119.30 115.71 1rfa s MET 76 Ca 0.00 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1rfa s MET 76 Cb 0.00 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 1rfa s MET 76 CO 0.00 0.04 0.11 -1.12 -0.01 0.00 0.00 175.02 174.03 1rfa s SER 77 N -4.16 2.42 0.07 3.03 0.01 -1.26 -4.63 113.70 109.18 1rfa s SER 77 Ca 0.44 -1.55 -0.22 0.00 1.31 0.00 0.00 55.95 55.94 1rfa s SER 77 Cb -0.10 0.29 -0.12 0.00 0.21 0.00 0.00 66.02 66.31 1rfa s SER 77 CO 0.32 -0.81 1.59 -0.07 0.41 0.00 0.00 173.24 174.68 1rfa h LEU 78 N 1.97 0.18 0.00 2.44 -0.00 -1.83 1.12 115.31 119.19 1rfa h LEU 78 Ca -0.37 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1rfa h LEU 78 Cb 1.26 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1rfa h LEU 78 CO 0.61 0.32 0.00 1.41 -0.00 0.00 0.00 178.44 180.77 1rfa n HIS 79 N -4.88 0.00 0.11 1.13 8.25 0.60 0.15 115.22 120.57 1rfa n HIS 79 Ca -0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1rfa n HIS 79 Cb 0.13 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.15 1.86 -0.02 0.41 8.00 -0.69 -3.89 116.55 121.08 1rfa n ASP 80 Ca 0.19 -0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 1rfa n ASP 80 Cb 0.17 1.45 -0.14 0.00 -0.02 0.00 0.00 41.12 42.59 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 -3.36 1.87 0.26 0.00 7.99 0.39 -3.16 117.00 121.00 1rfa n LEU 82 Ca -0.31 0.06 0.18 0.00 -0.01 0.00 0.00 56.01 55.93 1rfa n LEU 82 Cb 1.05 -0.46 0.92 0.00 -0.11 0.00 0.00 43.42 44.81 1rfa n LEU 82 CO 0.41 0.73 1.15 -0.03 -1.51 0.00 0.00 177.39 178.15 1rfa h MET 83 N 0.02 0.00 0.11 3.23 4.05 -1.67 0.72 114.93 121.38 1rfa h MET 83 Ca -0.49 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.63 1rfa h MET 83 Cb 2.03 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 32.86 1rfa h MET 83 CO 0.01 0.00 -1.23 -0.22 0.23 0.00 0.00 176.91 175.70 1rfa h LYS 84 N 0.00 0.60 -0.21 0.39 3.11 -1.63 0.20 116.57 119.04 1rfa h LYS 84 Ca 0.05 -0.80 -0.11 0.00 -2.81 0.00 0.00 60.65 56.98 1rfa h LYS 84 Cb 0.37 0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1rfa h LYS 84 CO -0.00 1.36 -0.30 0.00 -2.81 0.00 0.00 179.45 177.69 1rfa h ALA 85 N 0.33 0.32 0.00 5.00 0.00 0.13 -2.68 119.26 122.35 1rfa h ALA 85 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1rfa h ALA 85 Cb 1.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1rfa h ALA 85 CO 0.23 0.34 -0.72 -0.07 0.00 0.00 0.00 179.25 179.04 1rfa h LEU 86 N 0.25 0.00 -0.22 0.00 3.38 0.02 -2.89 115.31 115.85 1rfa h LEU 86 Ca 0.02 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rfa h LEU 86 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1rfa h LEU 86 CO 0.07 0.03 0.07 0.50 0.09 0.00 0.00 178.44 179.20 1rfa h LYS 87 N 0.00 0.17 -0.66 1.13 3.11 -0.87 1.28 116.57 120.73 1rfa h LYS 87 Ca 0.00 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.92 1rfa h LYS 87 Cb 0.92 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 32.07 1rfa h LYS 87 CO 0.00 0.11 0.44 0.28 -2.81 0.00 0.00 179.45 177.47 1rfa h VAL 88 N 0.18 0.92 0.03 2.00 2.07 -1.26 -2.46 116.25 117.72 1rfa h VAL 88 Ca 0.10 -0.18 -0.32 0.00 0.82 0.00 0.00 66.70 67.12 1rfa h VAL 88 Cb 0.06 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1rfa h VAL 88 CO -0.10 0.10 -1.84 0.54 0.02 0.00 0.00 177.57 176.28 1rfa n ARG 89 N -4.48 0.67 -0.23 1.57 5.12 -0.75 -4.96 116.66 113.60 1rfa n ARG 89 Ca 0.11 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 1rfa n ARG 89 Cb 0.35 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rfa n GLY 90 N 1.69 1.48 3.81 -0.13 0.00 0.39 -5.08 105.19 107.34 1rfa n GLY 90 Ca -0.22 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.04 3.33 -0.12 0.99 1.43 0.18 -5.00 118.68 119.44 1rfa s LEU 91 Ca 0.00 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1rfa s LEU 91 Cb 0.00 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1rfa s LEU 91 CO 0.00 -0.49 0.07 -1.10 0.23 0.00 0.00 176.35 175.05 1rfa s GLN 92 N -3.99 3.35 -0.10 1.70 -0.21 -1.26 -4.48 119.66 114.66 1rfa s GLN 92 Ca 0.43 -0.29 0.15 0.00 0.02 0.00 0.00 55.36 55.67 1rfa s GLN 92 Cb -0.02 -3.02 -0.23 0.00 1.00 0.00 0.00 33.01 30.74 1rfa s GLN 92 CO 0.25 0.65 0.18 -0.35 -2.12 0.00 0.00 175.29 173.90 1rfa n PRO 93 N 2.35 1.04 0.09 2.91 -0.04 -1.26 -4.26 135.00 135.83 1rfa n PRO 93 Ca -0.19 -0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1rfa n PRO 93 Cb 0.54 -1.41 0.45 0.00 -0.04 0.00 0.00 33.50 33.04 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 -2.40 0.19 -0.40 0.54 4.71 -1.26 -1.17 120.64 120.84 1rfa n GLU 94 Ca -0.17 0.27 0.11 0.00 -0.01 0.00 0.00 57.16 57.36 1rfa n GLU 94 Cb 0.80 -1.77 0.32 0.00 -1.01 0.00 0.00 31.44 29.77 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 -3.52 2.06 0.12 0.00 0.00 0.97 -4.65 121.76 116.74 1rfa s ALA 97 Ca 0.36 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1rfa s ALA 97 Cb 0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1rfa s ALA 97 CO 0.15 0.44 0.27 0.54 0.00 0.00 0.00 175.76 177.16 1rfa s VAL 98 N -0.33 5.33 0.11 0.00 0.11 -1.26 0.75 120.40 125.10 1rfa s VAL 98 Ca 0.02 -0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1rfa s VAL 98 Cb -0.12 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 1rfa s VAL 98 CO 0.01 -0.01 0.12 -0.36 -3.33 0.00 0.00 175.10 171.54 1rfa s PHE 99 N -1.66 0.54 0.02 1.54 0.40 0.12 -2.23 117.98 116.71 1rfa s PHE 99 Ca 0.36 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1rfa s PHE 99 Cb -0.12 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 1rfa s PHE 99 CO 0.28 -0.54 0.05 0.50 0.70 0.00 0.00 175.22 176.21 1rfa s ARG 100 N -3.97 2.89 0.87 0.44 3.52 0.16 -1.05 118.95 121.80 1rfa s ARG 100 Ca 0.15 -0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 55.03 1rfa s ARG 100 Cb 0.06 -2.74 0.12 0.00 -1.56 0.00 0.00 34.95 30.83 1rfa s ARG 100 CO -0.04 0.62 1.18 -0.51 -0.81 0.00 0.00 175.30 175.74 1rfa s LEU 101 N -1.84 2.34 -0.84 -0.88 1.02 -1.20 -0.09 118.68 117.18 1rfa s LEU 101 Ca 0.23 0.77 -0.20 0.00 0.02 0.00 0.00 54.13 54.95 1rfa s LEU 101 Cb -0.12 -3.14 0.10 0.00 0.02 0.00 0.00 46.19 43.05 1rfa s LEU 101 CO 0.14 -2.25 1.10 -1.48 0.02 0.00 0.00 176.35 173.88 1rfa s LEU 102 N -5.78 4.68 -0.01 1.79 0.05 -1.26 -4.53 118.68 113.62 1rfa s LEU 102 Ca 0.64 -1.62 0.20 0.00 0.05 0.00 0.00 54.13 53.40 1rfa s LEU 102 Cb -0.11 -2.42 -0.25 0.00 -2.05 0.00 0.00 46.19 41.36 1rfa s LEU 102 CO 0.51 -1.24 0.67 1.41 -0.55 0.00 0.00 176.35 177.15 1rfa n HIS 103 N 7.17 0.00 -2.22 3.48 8.25 -1.26 -4.29 115.22 126.35 1rfa n HIS 103 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1rfa n HIS 103 Cb 0.48 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.76 0.05 -4.13 -0.41 4.71 -1.26 -5.09 120.64 112.75 1rfa n GLU 104 Ca 0.01 -1.55 -0.14 0.00 -0.01 0.00 0.00 57.16 55.47 1rfa n GLU 104 Cb 0.39 -0.29 -0.06 0.00 -1.01 0.00 0.00 31.44 30.46 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 -0.10 1.09 -0.12 -0.32 0.09 -1.26 -5.17 115.29 109.50 1rfa s HIS 105 Ca 0.18 -1.28 -0.11 0.00 -0.00 0.00 0.00 55.06 53.85 1rfa s HIS 105 Cb 0.20 -0.26 0.03 0.00 -0.00 0.00 0.00 32.58 32.55 1rfa s HIS 105 CO -0.08 -0.95 0.32 0.15 -0.00 0.00 0.00 174.74 174.18 1rfa s LYS 106 N -3.56 0.37 0.00 1.40 -0.14 -1.26 -4.77 119.74 111.77 1rfa s LYS 106 Ca 0.33 0.47 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1rfa s LYS 106 Cb 0.02 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.32 1rfa s LYS 106 CO 0.18 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 1rfa n GLY 107 N 3.06 1.89 3.27 -3.33 0.00 -1.26 -4.96 105.19 103.86 1rfa n GLY 107 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.61 0.42 0.43 1.61 1.02 -1.26 -5.15 119.74 116.21 1rfa s LYS 108 Ca 0.00 0.62 -0.07 0.00 0.02 0.00 0.00 55.97 56.54 1rfa s LYS 108 Cb 0.00 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1rfa s LYS 108 CO 0.00 -0.09 0.75 0.15 -0.92 0.00 0.00 175.35 175.24 1rfa s LYS 109 N 0.64 3.63 -0.26 1.68 1.02 -1.26 -4.53 119.74 120.66 1rfa s LYS 109 Ca -0.04 0.26 -0.21 0.00 0.02 0.00 0.00 55.97 56.00 1rfa s LYS 109 Cb -0.05 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1rfa s LYS 109 CO -0.04 -0.09 0.68 0.00 -0.92 0.00 0.00 175.35 174.98 1rfa s ALA 110 N -2.53 3.61 0.10 5.17 0.00 0.87 -4.91 121.76 124.07 1rfa s ALA 110 Ca 0.48 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 1rfa s ALA 110 Cb -0.10 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1rfa s ALA 110 CO 0.38 -0.88 0.41 0.50 0.00 0.00 0.00 175.76 176.17 1rfa s ARG 111 N 2.61 3.75 0.00 0.00 3.00 -1.26 0.37 118.95 127.42 1rfa s ARG 111 Ca 0.28 0.15 0.00 0.00 -1.00 0.00 0.00 55.73 55.17 1rfa s ARG 111 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 34.95 31.84 1rfa s ARG 111 CO 0.09 0.53 0.00 1.28 0.00 0.00 0.00 175.30 177.20 1rfa n LEU 112 N 0.72 0.00 -4.31 -0.88 4.77 -0.95 -4.90 117.00 111.45 1rfa n LEU 112 Ca -0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 1rfa n LEU 112 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1rfa n LEU 112 CO 0.43 0.00 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.68 1rfa s ASP 113 N 1.00 1.37 0.00 -1.43 2.15 -1.26 -4.89 116.67 113.60 1rfa s ASP 113 Ca 0.00 -1.56 0.24 0.00 0.43 0.00 0.00 52.55 51.66 1rfa s ASP 113 Cb 0.00 0.40 0.62 0.00 -0.30 0.00 0.00 42.92 43.64 1rfa s ASP 113 CO 0.00 -0.90 1.50 0.79 -0.17 0.00 0.00 175.17 176.39 1rfa n TRP 114 N -0.55 0.19 -2.63 -5.34 5.03 -1.26 -3.51 117.44 109.37 1rfa n TRP 114 Ca 0.02 -0.09 -0.10 0.00 3.03 0.00 0.00 57.50 60.35 1rfa n TRP 114 Cb 0.65 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.96 1rfa n TRP 114 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1rfa n ASN 115 N 0.79 2.27 -0.02 -0.99 4.13 -1.26 -0.29 115.26 119.89 1rfa n ASN 115 Ca 0.17 -2.73 0.14 0.00 1.68 0.00 0.00 54.58 53.85 1rfa n ASN 115 Cb 0.46 -0.49 0.67 0.00 -1.54 0.00 0.00 39.78 38.89 1rfa n ASN 115 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1rfa n THR 116 N -0.36 0.00 -1.86 3.41 5.66 -1.23 -4.72 114.28 115.19 1rfa n THR 116 Ca 0.16 -0.01 -0.01 0.00 -3.05 0.00 0.00 64.05 61.14 1rfa n THR 116 Cb 0.81 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1rfa n THR 116 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1rfa n ASP 117 N -1.32 -3.65 0.03 1.09 2.03 -1.26 -4.79 116.55 108.68 1rfa n ASP 117 Ca 0.12 0.24 0.08 0.00 0.52 0.00 0.00 54.79 55.75 1rfa n ASP 117 Cb 0.28 -2.21 0.36 0.00 -0.72 0.00 0.00 41.12 38.84 1rfa n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rfa n ALA 118 N -0.21 1.70 1.24 -1.67 0.00 -1.26 -0.13 120.51 120.17 1rfa n ALA 118 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1rfa n ALA 118 Cb 0.08 -1.28 0.67 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.56 2.33 0.43 0.00 0.00 -1.26 -0.94 120.51 119.50 1rfa n ALA 119 Ca 0.03 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1rfa n ALA 119 Cb 0.19 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.30 0.63 -1.12 0.00 7.64 0.82 -3.83 113.62 116.45 1rfa n SER 120 Ca 0.12 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.64 1rfa n SER 120 Cb 0.22 1.50 0.27 0.00 -1.01 0.00 0.00 64.21 65.19 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 -1.86 3.90 -4.73 -3.43 7.99 -0.34 -5.00 117.00 113.53 1rfa n LEU 121 Ca -0.00 -2.35 -0.42 0.00 -0.01 0.00 0.00 56.01 53.24 1rfa n LEU 121 Cb 0.42 -0.45 -0.03 0.00 -0.11 0.00 0.00 43.42 43.26 1rfa n LEU 121 CO 0.41 0.78 1.13 -0.51 -1.51 0.00 0.00 177.39 177.69 1rfa s ILE 122 N -1.64 2.74 0.00 -0.08 1.10 -0.12 -1.83 121.20 121.37 1rfa s ILE 122 Ca 0.40 0.59 0.00 0.00 -0.51 0.00 0.00 60.65 61.12 1rfa s ILE 122 Cb 0.25 -3.37 0.00 0.00 0.15 0.00 0.00 42.46 39.49 1rfa s ILE 122 CO 0.20 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.71 1rfa n GLY 123 N 2.75 0.64 0.00 1.50 0.00 0.13 -4.70 105.19 105.51 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 -2.03 3.45 -4.40 1.61 -0.58 -0.76 -4.99 120.64 112.95 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 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 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 1.71 1.71 0.09 3.49 2.02 -1.26 -2.52 118.70 123.94 1rfa s GLU 125 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.81 1rfa s GLU 125 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1rfa s GLU 125 CO 0.00 0.48 -0.07 -0.51 0.02 0.00 0.00 175.26 175.18 1rfa s LEU 126 N -2.00 2.49 0.05 1.80 1.02 0.60 -3.28 118.68 119.37 1rfa s LEU 126 Ca 0.16 -0.97 -0.02 0.00 0.02 0.00 0.00 54.13 53.32 1rfa s LEU 126 Cb -0.10 -0.09 -0.03 0.00 0.02 0.00 0.00 46.19 45.99 1rfa s LEU 126 CO 0.08 -0.44 0.01 -1.58 0.02 0.00 0.00 176.35 174.44 1rfa s GLN 127 N -3.64 0.60 0.09 1.70 0.74 -0.22 -0.13 119.66 118.80 1rfa s GLN 127 Ca 0.10 -1.05 0.09 0.00 0.05 0.00 0.00 55.36 54.55 1rfa s GLN 127 Cb 0.04 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1rfa s GLN 127 CO -0.04 -0.13 -0.22 0.08 -0.55 0.00 0.00 175.29 174.43 1rfa s VAL 128 N -3.44 2.52 0.09 1.34 1.01 -0.90 0.11 120.40 121.12 1rfa s VAL 128 Ca 0.02 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.53 1rfa s VAL 128 Cb 0.04 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1rfa s VAL 128 CO -0.08 0.21 0.09 -0.67 0.00 0.00 0.00 175.10 174.64 1rfa n ASP 129 N 1.20 -0.23 -4.68 3.32 -0.08 0.23 -3.58 116.55 112.74 1rfa n ASP 129 Ca -0.17 -1.53 -0.29 0.00 -1.51 0.00 0.00 54.79 51.29 1rfa n ASP 129 Cb 0.52 0.49 0.14 0.00 2.34 0.00 0.00 41.12 44.62 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 -2.98 2.37 -0.79 -0.67 -0.12 -1.26 -0.02 117.98 114.50 1rfa s PHE 130 Ca 0.09 0.76 -0.25 0.00 -0.05 0.00 0.00 56.93 57.48 1rfa s PHE 130 Cb 0.00 -3.48 -0.00 0.00 -0.63 0.00 0.00 43.02 38.91 1rfa s PHE 130 CO 0.07 -2.39 1.67 -0.51 -0.05 0.00 0.00 175.22 174.00 1rfa s LEU 131 N -6.00 3.27 0.00 -1.99 1.43 -1.24 -3.37 118.68 110.77 1rfa s LEU 131 Ca 0.65 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1rfa s LEU 131 Cb -0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1rfa s LEU 131 CO 0.53 -2.18 0.00 0.47 0.23 0.00 0.00 176.35 175.40