#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 -4.06 -3.46 2.85 -1.26 -4.85 115.26 104.47 1rfa n ASN 56 Ca 0.00 -1.50 -0.16 0.00 -0.11 0.00 0.00 54.58 52.82 1rfa n ASN 56 Cb 0.00 -0.10 -0.13 0.00 1.24 0.00 0.00 39.78 40.79 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 0.69 0.09 -0.44 -4.23 -1.26 -2.65 115.64 107.85 1rfa s THR 57 Ca 0.00 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 1rfa s THR 57 Cb 0.00 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.15 1rfa s THR 57 CO 0.00 -0.15 0.14 -0.63 -0.54 0.00 0.00 174.62 173.44 1rfa s ILE 58 N -0.93 0.15 0.17 2.99 1.09 0.02 -0.56 121.20 124.13 1rfa s ILE 58 Ca -0.04 -1.41 0.05 0.00 -1.10 0.00 0.00 60.65 58.16 1rfa s ILE 58 Cb -0.08 -1.51 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 1rfa s ILE 58 CO 0.01 -0.66 0.15 -0.13 -0.10 0.00 0.00 174.94 174.21 1rfa s ARG 59 N -3.90 2.94 -0.17 2.79 3.00 -1.08 -0.20 118.95 122.32 1rfa s ARG 59 Ca 0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 55.73 54.93 1rfa s ARG 59 Cb 0.06 -2.66 0.05 0.00 0.00 0.00 0.00 34.95 32.40 1rfa s ARG 59 CO -0.08 0.48 -0.01 0.08 0.00 0.00 0.00 175.30 175.76 1rfa s VAL 60 N -1.79 0.84 -0.05 3.52 1.01 0.98 -0.64 120.40 124.27 1rfa s VAL 60 Ca 0.31 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1rfa s VAL 60 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1rfa s VAL 60 CO 0.24 -0.00 0.22 -0.36 0.00 0.00 0.00 175.10 175.19 1rfa s PHE 61 N 1.74 3.60 0.66 5.22 0.40 0.59 -1.03 117.98 129.15 1rfa s PHE 61 Ca -0.00 0.56 -0.06 0.00 -0.60 0.00 0.00 56.93 56.84 1rfa s PHE 61 Cb -0.16 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.44 1rfa s PHE 61 CO -0.07 0.68 0.97 -0.51 0.70 0.00 0.00 175.22 176.98 1rfa s LEU 62 N -1.41 2.96 -0.81 -0.37 2.01 0.38 -1.24 118.68 120.20 1rfa s LEU 62 Ca 0.22 0.48 -0.25 0.00 0.01 0.00 0.00 54.13 54.59 1rfa s LEU 62 Cb -0.13 -3.19 0.05 0.00 0.01 0.00 0.00 46.19 42.93 1rfa s LEU 62 CO 0.11 -1.43 1.25 -2.84 1.01 0.00 0.00 176.35 174.46 1rfa s PRO 63 N -5.14 3.30 -0.31 1.29 0.02 -1.22 -3.21 135.00 129.73 1rfa s PRO 63 Ca 0.58 -0.68 0.00 0.00 0.02 0.00 0.00 61.00 60.92 1rfa s PRO 63 Cb -0.11 -4.54 0.00 0.00 0.02 0.00 0.00 34.50 29.88 1rfa s PRO 63 CO 0.44 -2.08 0.00 0.09 -0.33 0.00 0.00 177.00 175.13 1rfa n ASN 64 N 8.74 -3.08 0.00 2.53 3.02 -1.26 -4.88 115.26 120.32 1rfa n ASN 64 Ca 0.11 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1rfa n ASN 64 Cb 0.49 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.64 0.00 -1.61 3.52 4.76 -1.20 -5.17 118.16 115.82 1rfa n LYS 65 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1rfa n LYS 65 Cb 0.17 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 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 -0.47 0.94 -3.71 1.97 1.13 -1.26 -4.84 117.38 111.13 1rfa n GLN 66 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1rfa n GLN 66 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 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 -1.42 1.37 0.12 -1.09 3.03 -1.26 0.14 118.95 119.85 1rfa s ARG 67 Ca 0.00 -0.83 -0.25 0.00 2.03 0.00 0.00 55.73 56.68 1rfa s ARG 67 Cb 0.00 0.53 0.08 0.00 -1.03 0.00 0.00 34.95 34.53 1rfa s ARG 67 CO 0.00 -0.58 1.08 -0.08 -1.13 0.00 0.00 175.30 174.59 1rfa s THR 68 N -3.86 0.00 0.05 4.99 -1.32 -0.20 -4.94 115.64 110.35 1rfa s THR 68 Ca 0.08 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.13 1rfa s THR 68 Cb -0.01 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 1rfa s THR 68 CO -0.04 0.00 -0.20 0.54 -2.21 0.00 0.00 174.62 172.72 1rfa s VAL 69 N -2.57 2.66 0.09 5.08 0.11 -1.26 -0.01 120.40 124.49 1rfa s VAL 69 Ca 0.18 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.01 1rfa s VAL 69 Cb -0.01 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1rfa s VAL 69 CO 0.02 0.33 -0.07 0.68 -3.33 0.00 0.00 175.10 172.73 1rfa s VAL 70 N -0.91 0.70 0.06 2.04 -7.23 0.72 -4.92 120.40 110.86 1rfa s VAL 70 Ca 0.14 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1rfa s VAL 70 Cb -0.10 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1rfa s VAL 70 CO 0.05 -0.77 -0.12 0.20 -0.31 0.00 0.00 175.10 174.14 1rfa s ASN 71 N -2.77 4.21 -0.12 4.85 0.01 -1.26 -0.80 114.94 119.05 1rfa s ASN 71 Ca 0.08 -0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 51.82 1rfa s ASN 71 Cb 0.02 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 1rfa s ASN 71 CO -0.03 0.23 0.09 0.54 -1.51 0.00 0.00 177.10 176.42 1rfa s VAL 72 N -1.05 5.09 0.54 1.60 0.11 -1.08 -4.99 120.40 120.62 1rfa s VAL 72 Ca 0.18 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.37 1rfa s VAL 72 Cb -0.11 -3.22 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 1rfa s VAL 72 CO 0.09 0.58 0.68 -0.13 -3.33 0.00 0.00 175.10 173.00 1rfa s ARG 73 N -0.72 2.37 -0.51 1.54 3.00 -1.26 -4.94 118.95 118.43 1rfa s ARG 73 Ca 0.13 -1.65 -0.28 0.00 0.00 0.00 0.00 55.73 53.93 1rfa s ARG 73 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 34.95 32.27 1rfa s ARG 73 CO 0.03 -0.72 1.55 -0.80 0.00 0.00 0.00 175.30 175.36 1rfa s ASN 74 N -4.54 5.98 0.00 0.23 -0.87 -1.26 -2.03 114.94 112.44 1rfa s ASN 74 Ca 0.56 0.54 0.00 0.00 -1.57 0.00 0.00 52.86 52.39 1rfa s ASN 74 Cb -0.06 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1rfa s ASN 74 CO 0.35 -1.78 0.00 0.61 -2.57 0.00 0.00 177.10 173.71 1rfa n GLY 75 N 5.33 1.80 3.86 0.66 0.00 -1.26 -5.08 105.19 110.51 1rfa n GLY 75 Ca 0.16 0.00 -0.33 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 -0.79 3.84 0.39 1.61 -1.94 -0.86 -5.08 119.30 116.48 1rfa s MET 76 Ca 0.00 0.31 0.08 0.00 -1.71 0.00 0.00 55.69 54.36 1rfa s MET 76 Cb 0.00 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.98 1rfa s MET 76 CO 0.00 0.42 0.12 -1.12 -0.01 0.00 0.00 175.02 174.43 1rfa s SER 77 N -2.06 4.33 0.14 3.03 0.01 -1.26 -4.38 113.70 113.51 1rfa s SER 77 Ca 0.42 -1.06 -0.21 0.00 1.31 0.00 0.00 55.95 56.41 1rfa s SER 77 Cb -0.13 -0.50 0.01 0.00 0.21 0.00 0.00 66.02 65.61 1rfa s SER 77 CO 0.20 -0.44 1.67 -0.07 0.41 0.00 0.00 173.24 175.01 1rfa h LEU 78 N 1.56 -0.44 -0.01 2.44 -0.00 -1.31 2.07 115.31 119.63 1rfa h LEU 78 Ca -0.43 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1rfa h LEU 78 Cb 1.25 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 1rfa h LEU 78 CO 0.70 -0.17 -0.01 1.41 -0.00 0.00 0.00 178.44 180.36 1rfa n HIS 79 N -5.29 0.00 -0.01 1.13 8.25 -0.73 0.97 115.22 119.55 1rfa n HIS 79 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1rfa n HIS 79 Cb 0.21 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.34 1.88 -0.01 0.41 8.00 0.80 -3.75 116.55 122.55 1rfa n ASP 80 Ca 0.12 -0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.71 1rfa n ASP 80 Cb 0.27 1.62 -0.14 0.00 -0.02 0.00 0.00 41.12 42.86 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 -2.02 2.19 0.24 0.00 7.99 0.27 -3.35 117.00 122.32 1rfa n LEU 82 Ca -0.02 -0.08 0.16 0.00 -0.01 0.00 0.00 56.01 56.06 1rfa n LEU 82 Cb 0.46 -0.44 0.85 0.00 -0.11 0.00 0.00 43.42 44.17 1rfa n LEU 82 CO 0.40 0.74 0.98 -0.03 -1.51 0.00 0.00 177.39 177.98 1rfa h MET 83 N 0.00 0.00 0.12 3.23 4.05 -1.65 1.08 114.93 121.76 1rfa h MET 83 Ca -0.47 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 58.65 1rfa h MET 83 Cb 1.82 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.61 1rfa h MET 83 CO -0.05 0.00 -1.50 -0.22 0.23 0.00 0.00 176.91 175.37 1rfa h LYS 84 N 0.00 0.26 0.11 0.39 3.11 -1.66 -2.28 116.57 116.50 1rfa h LYS 84 Ca 0.00 -0.44 -0.01 0.00 -2.81 0.00 0.00 60.65 57.39 1rfa h LYS 84 Cb 0.05 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1rfa h LYS 84 CO 0.00 1.13 -0.05 0.00 -2.81 0.00 0.00 179.45 177.72 1rfa h ALA 85 N 0.49 -0.15 0.00 5.00 0.00 -0.01 -3.13 119.26 121.46 1rfa h ALA 85 Ca -0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1rfa h ALA 85 Cb 2.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1rfa h ALA 85 CO 0.17 -0.26 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 1rfa h LEU 86 N -0.79 0.00 -0.27 0.00 3.38 0.74 -1.24 115.31 117.12 1rfa h LEU 86 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1rfa h LEU 86 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1rfa h LEU 86 CO 0.03 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 179.04 1rfa h LYS 87 N 0.00 0.06 -0.35 1.13 3.11 -1.48 1.25 116.57 120.30 1rfa h LYS 87 Ca 0.00 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1rfa h LYS 87 Cb 0.94 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 1rfa h LYS 87 CO 0.00 0.04 0.10 0.28 -2.81 0.00 0.00 179.45 177.06 1rfa h VAL 88 N 0.06 1.16 0.00 2.00 2.07 -1.18 -2.64 116.25 117.72 1rfa h VAL 88 Ca 0.13 -0.54 -0.22 0.00 0.82 0.00 0.00 66.70 66.89 1rfa h VAL 88 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1rfa h VAL 88 CO -0.23 0.20 -1.39 0.03 0.02 0.00 0.00 177.57 176.20 1rfa h ARG 89 N 0.49 0.00 -0.05 1.57 3.08 -0.97 -3.48 114.38 115.03 1rfa h ARG 89 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1rfa h ARG 89 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1rfa h ARG 89 CO -0.01 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.78 1rfa n GLY 90 N 1.43 1.49 3.71 0.04 0.00 0.37 -5.07 105.19 107.16 1rfa n GLY 90 Ca -0.10 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.05 3.09 0.01 0.99 2.01 0.22 -5.00 118.68 119.94 1rfa s LEU 91 Ca 0.00 -1.06 0.01 0.00 0.01 0.00 0.00 54.13 53.08 1rfa s LEU 91 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 46.19 44.76 1rfa s LEU 91 CO 0.00 -0.47 0.06 -1.10 1.01 0.00 0.00 176.35 175.85 1rfa s GLN 92 N -3.85 2.96 -0.04 1.70 -0.21 -1.26 -4.35 119.66 114.60 1rfa s GLN 92 Ca 0.39 -0.55 0.14 0.00 0.02 0.00 0.00 55.36 55.36 1rfa s GLN 92 Cb 0.03 -2.79 -0.21 0.00 1.00 0.00 0.00 33.01 31.05 1rfa s GLN 92 CO 0.22 0.63 0.26 -0.35 -2.12 0.00 0.00 175.29 173.92 1rfa n PRO 93 N 1.13 0.72 0.24 2.91 -0.04 -1.26 -4.43 135.00 134.28 1rfa n PRO 93 Ca -0.13 -0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1rfa n PRO 93 Cb 0.53 -1.34 0.38 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.66 0.54 3.07 -1.99 -1.57 114.58 113.97 1rfa h GLU 94 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1rfa h GLU 94 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1rfa h GLU 94 CO 0.00 0.02 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 1rfa s ALA 97 N -3.05 2.79 0.02 0.00 0.00 0.13 -4.01 121.76 117.63 1rfa s ALA 97 Ca 0.31 -2.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 1rfa s ALA 97 Cb 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1rfa s ALA 97 CO 0.15 -0.17 -0.01 0.54 0.00 0.00 0.00 175.76 176.27 1rfa s VAL 98 N -2.94 0.11 0.09 0.00 0.11 -1.26 0.71 120.40 117.22 1rfa s VAL 98 Ca 0.35 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1rfa s VAL 98 Cb 0.09 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1rfa s VAL 98 CO 0.16 -0.51 0.16 -0.36 -3.33 0.00 0.00 175.10 171.22 1rfa s PHE 99 N -1.61 0.28 0.19 1.54 0.40 0.42 -1.91 117.98 117.29 1rfa s PHE 99 Ca -0.14 -0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 55.34 1rfa s PHE 99 Cb -0.09 -0.14 -0.07 0.00 0.51 0.00 0.00 43.02 43.24 1rfa s PHE 99 CO -0.01 -0.54 0.55 1.03 0.70 0.00 0.00 175.22 176.95 1rfa s ARG 100 N -3.89 3.89 0.00 0.44 0.52 0.13 -1.40 118.95 118.64 1rfa s ARG 100 Ca 0.08 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1rfa s ARG 100 Cb 0.05 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1rfa s ARG 100 CO -0.09 0.40 0.00 1.28 0.02 0.00 0.00 175.30 176.91 1rfa n LEU 101 N 0.34 0.00 -4.42 2.53 4.32 -1.18 -0.34 117.00 118.24 1rfa n LEU 101 Ca -0.02 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.53 1rfa n LEU 101 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1rfa n LEU 101 CO 0.44 -0.40 1.71 0.00 -1.22 0.00 0.00 177.39 177.91 1rfa n LEU 102 N 0.00 5.32 -0.16 2.23 -0.00 -1.25 -4.36 117.00 118.78 1rfa n LEU 102 Ca 0.00 -4.28 0.11 0.00 -0.00 0.00 0.00 56.01 51.84 1rfa n LEU 102 Cb 0.00 -1.65 0.03 0.00 -0.00 0.00 0.00 43.42 41.79 1rfa n LEU 102 CO 0.00 0.60 0.21 1.41 -0.00 0.00 0.00 177.39 179.61 1rfa n HIS 103 N 6.45 0.00 -2.14 1.47 8.25 -1.26 -4.18 115.22 123.82 1rfa n HIS 103 Ca 0.42 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.89 1rfa n HIS 103 Cb 0.43 -0.05 0.00 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 -1.00 0.00 -4.23 -0.41 4.71 -1.26 -5.10 120.64 113.34 1rfa n GLU 104 Ca 0.07 -1.16 -0.16 0.00 -0.01 0.00 0.00 57.16 55.89 1rfa n GLU 104 Cb 0.37 -0.25 -0.08 0.00 -1.01 0.00 0.00 31.44 30.47 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 1.47 -0.15 -0.32 3.76 -1.26 -5.07 115.29 113.72 1rfa s HIS 105 Ca 0.09 -1.52 0.04 0.00 -0.15 0.00 0.00 55.06 53.52 1rfa s HIS 105 Cb 0.11 -0.59 -0.12 0.00 1.11 0.00 0.00 32.58 33.09 1rfa s HIS 105 CO -0.05 -0.82 -0.10 1.17 -0.85 0.00 0.00 174.74 174.09 1rfa n LYS 106 N -0.50 0.78 -2.71 1.40 3.00 -1.26 -4.80 118.16 114.07 1rfa n LYS 106 Ca 0.05 0.07 -0.08 0.00 -0.00 0.00 0.00 58.31 58.35 1rfa n LYS 106 Cb 0.63 -1.32 0.10 0.00 0.00 0.00 0.00 35.03 34.45 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 2.61 0.93 3.38 3.14 0.00 -1.26 -5.05 105.19 108.95 1rfa n GLY 107 Ca -0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 1.05 -0.01 1.61 1.02 -1.26 -5.14 119.74 117.24 1rfa s LYS 108 Ca 0.22 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 55.92 1rfa s LYS 108 Cb 0.34 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 38.10 1rfa s LYS 108 CO -0.07 -0.39 -0.12 0.15 -0.92 0.00 0.00 175.35 174.00 1rfa s LYS 109 N -2.73 2.44 -0.25 1.68 1.02 -1.26 -3.80 119.74 116.83 1rfa s LYS 109 Ca -0.04 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.01 1rfa s LYS 109 Cb -0.00 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1rfa s LYS 109 CO -0.04 0.60 0.54 0.00 -0.92 0.00 0.00 175.35 175.53 1rfa s ALA 110 N -0.88 3.59 0.07 5.17 0.00 0.54 -4.91 121.76 125.34 1rfa s ALA 110 Ca 0.14 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1rfa s ALA 110 Cb -0.11 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1rfa s ALA 110 CO 0.04 -0.73 0.48 0.50 0.00 0.00 0.00 175.76 176.06 1rfa s ARG 111 N 2.29 3.98 0.00 0.00 3.00 -1.26 0.21 118.95 127.16 1rfa s ARG 111 Ca 0.22 0.47 0.00 0.00 -1.00 0.00 0.00 55.73 55.43 1rfa s ARG 111 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.68 1rfa s ARG 111 CO 0.09 0.60 0.00 1.28 0.00 0.00 0.00 175.30 177.27 1rfa n LEU 112 N 1.38 0.00 -5.00 -0.88 4.77 -0.80 -4.91 117.00 111.56 1rfa n LEU 112 Ca -0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 1rfa n LEU 112 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1rfa n LEU 112 CO 0.40 -0.03 0.35 -0.62 -1.33 0.00 0.00 177.39 176.16 1rfa s ASP 113 N 0.12 5.16 0.00 -1.43 -1.08 -1.26 -4.86 116.67 113.31 1rfa s ASP 113 Ca 0.00 -0.33 0.12 0.00 -0.52 0.00 0.00 52.55 51.82 1rfa s ASP 113 Cb 0.00 -0.45 0.32 0.00 -1.46 0.00 0.00 42.92 41.33 1rfa s ASP 113 CO 0.00 -1.23 1.25 1.87 0.52 0.00 0.00 175.17 177.59 1rfa n TRP 114 N -2.30 0.48 -1.83 -5.34 -0.00 -1.26 -3.85 117.44 103.33 1rfa n TRP 114 Ca 0.11 -0.46 0.05 0.00 -0.00 0.00 0.00 57.50 57.19 1rfa n TRP 114 Cb 0.60 -0.02 0.08 0.00 -0.00 0.00 0.00 31.31 31.97 1rfa n TRP 114 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1rfa n ASN 115 N 0.65 1.19 -4.79 5.87 5.15 -1.26 -1.76 115.26 120.31 1rfa n ASN 115 Ca 0.13 -2.68 -0.34 0.00 -0.60 0.00 0.00 54.58 51.09 1rfa n ASN 115 Cb 0.44 -0.35 -0.00 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.39 3.49 -0.84 -0.44 2.01 -1.25 -4.15 115.64 113.08 1rfa s THR 116 Ca 0.25 0.85 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 1rfa s THR 116 Cb 0.25 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1rfa s THR 116 CO -0.05 -0.27 1.36 -1.81 -0.69 0.00 0.00 174.62 173.15 1rfa s ASP 117 N -2.12 6.25 0.15 3.53 1.11 -1.26 -1.18 116.67 123.15 1rfa s ASP 117 Ca 0.69 -0.80 0.15 0.00 0.18 0.00 0.00 52.55 52.77 1rfa s ASP 117 Cb -0.20 -2.56 0.70 0.00 1.07 0.00 0.00 42.92 41.93 1rfa s ASP 117 CO 0.28 -1.74 1.46 0.00 1.18 0.00 0.00 175.17 176.35 1rfa n ALA 118 N 9.32 1.32 1.30 5.23 0.00 -1.26 0.35 120.51 136.77 1rfa n ALA 118 Ca 0.15 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1rfa n ALA 118 Cb 0.50 -1.23 0.66 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.64 2.58 0.54 0.00 0.00 -1.26 -1.53 120.51 119.19 1rfa n ALA 119 Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1rfa n ALA 119 Cb 0.10 -1.43 -0.11 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 -1.27 0.56 -1.26 0.00 2.88 0.16 -3.70 113.62 110.98 1rfa n SER 120 Ca 0.12 -0.47 0.08 0.00 -1.33 0.00 0.00 58.87 57.27 1rfa n SER 120 Cb 0.28 1.32 0.30 0.00 -0.75 0.00 0.00 64.21 65.36 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 -1.87 4.32 -4.76 2.46 7.99 -0.66 -4.99 117.00 119.49 1rfa n LEU 121 Ca 0.01 -2.60 -0.41 0.00 -0.01 0.00 0.00 56.01 53.00 1rfa n LEU 121 Cb 0.44 -0.52 -0.02 0.00 -0.11 0.00 0.00 43.42 43.20 1rfa n LEU 121 CO 0.43 0.73 1.00 -0.51 -1.51 0.00 0.00 177.39 177.54 1rfa s ILE 122 N -2.11 2.82 0.00 -0.08 1.10 -0.59 -2.66 121.20 119.69 1rfa s ILE 122 Ca 0.44 0.76 0.00 0.00 -0.51 0.00 0.00 60.65 61.34 1rfa s ILE 122 Cb 0.31 -3.49 0.00 0.00 0.15 0.00 0.00 42.46 39.43 1rfa s ILE 122 CO 0.17 0.16 0.00 0.61 -2.11 0.00 0.00 174.94 173.77 1rfa n GLY 123 N 1.38 0.70 0.93 1.50 0.00 0.28 -4.69 105.19 105.30 1rfa n GLY 123 Ca 0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.72 0.41 -4.39 1.61 -0.58 -1.09 -5.05 120.64 110.84 1rfa n GLU 124 Ca 0.00 -0.96 -0.32 0.00 -0.42 0.00 0.00 57.16 55.46 1rfa n GLU 124 Cb 0.50 0.68 -0.10 0.00 -0.57 0.00 0.00 31.44 31.94 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 -2.41 2.51 0.11 3.49 2.02 -1.26 -2.64 118.70 120.52 1rfa s GLU 125 Ca 0.09 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.36 1rfa s GLU 125 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1rfa s GLU 125 CO 0.06 0.59 -0.11 -0.51 0.02 0.00 0.00 175.26 175.31 1rfa s LEU 126 N -1.61 2.44 0.05 1.80 1.02 0.19 -3.11 118.68 119.46 1rfa s LEU 126 Ca 0.19 -0.87 0.01 0.00 0.02 0.00 0.00 54.13 53.47 1rfa s LEU 126 Cb -0.11 -0.35 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 1rfa s LEU 126 CO 0.09 -0.27 -0.05 -1.58 0.02 0.00 0.00 176.35 174.57 1rfa s GLN 127 N -3.07 0.56 -0.03 1.70 0.74 -0.49 -0.30 119.66 118.78 1rfa s GLN 127 Ca 0.09 -0.96 0.03 0.00 0.05 0.00 0.00 55.36 54.57 1rfa s GLN 127 Cb -0.01 -0.05 -0.03 0.00 1.10 0.00 0.00 33.01 34.01 1rfa s GLN 127 CO 0.01 -0.03 -0.09 0.08 -0.55 0.00 0.00 175.29 174.71 1rfa s VAL 128 N -2.50 3.51 0.03 1.34 1.01 -0.37 -0.44 120.40 122.98 1rfa s VAL 128 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1rfa s VAL 128 Cb -0.02 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1rfa s VAL 128 CO -0.04 0.49 0.01 -0.67 0.00 0.00 0.00 175.10 174.89 1rfa n ASP 129 N 1.89 0.95 -4.57 3.32 -0.08 0.22 -3.39 116.55 114.89 1rfa n ASP 129 Ca -0.17 -1.18 -0.38 0.00 -1.51 0.00 0.00 54.79 51.55 1rfa n ASP 129 Cb 0.53 0.09 -0.11 0.00 2.34 0.00 0.00 41.12 43.96 1rfa n ASP 129 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1rfa s PHE 130 N -1.66 3.22 0.00 -0.67 0.08 -1.26 0.17 117.98 117.86 1rfa s PHE 130 Ca 0.02 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1rfa s PHE 130 Cb 0.00 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1rfa s PHE 130 CO 0.01 -0.22 0.00 1.47 -0.10 0.00 0.00 175.22 176.39 1rfa n LEU 131 N 5.06 0.00 0.00 -0.37 -0.00 -0.61 -4.57 117.00 116.51 1rfa n LEU 131 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1rfa n LEU 131 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1rfa n LEU 131 CO 0.34 0.00 0.23 -0.67 -0.00 0.00 0.00 177.39 177.29