#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 0.32 -4.00 -3.46 5.03 -1.26 -4.91 115.26 106.98 1rfa n ASN 56 Ca 0.00 -1.91 -0.12 0.00 0.87 0.00 0.00 54.58 53.42 1rfa n ASN 56 Cb 0.00 -0.14 -0.12 0.00 -1.02 0.00 0.00 39.78 38.50 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rfa s THR 57 N 0.00 0.31 0.08 3.41 -4.23 -1.26 -3.63 115.64 110.32 1rfa s THR 57 Ca 0.17 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1rfa s THR 57 Cb 0.19 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1rfa s THR 57 CO -0.08 -0.34 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.96 1rfa s ILE 58 N -1.16 0.59 -0.05 2.99 1.09 0.49 -0.46 121.20 124.68 1rfa s ILE 58 Ca -0.10 -1.65 0.01 0.00 -1.10 0.00 0.00 60.65 57.81 1rfa s ILE 58 Cb -0.08 -1.32 -0.03 0.00 -1.06 0.00 0.00 42.46 39.97 1rfa s ILE 58 CO -0.00 -0.73 -0.06 -0.13 -0.10 0.00 0.00 174.94 173.92 1rfa s ARG 59 N -3.12 2.73 -0.24 2.79 0.52 -1.09 -0.76 118.95 119.79 1rfa s ARG 59 Ca 0.04 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1rfa s ARG 59 Cb 0.01 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.92 1rfa s ARG 59 CO -0.04 0.66 -0.11 0.08 0.02 0.00 0.00 175.30 175.91 1rfa s VAL 60 N -0.86 2.41 -0.05 3.52 1.01 0.65 0.11 120.40 127.19 1rfa s VAL 60 Ca 0.14 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1rfa s VAL 60 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1rfa s VAL 60 CO 0.03 0.20 0.20 -0.36 0.00 0.00 0.00 175.10 175.17 1rfa s PHE 61 N 1.23 3.58 0.50 5.22 0.40 0.92 -1.57 117.98 128.26 1rfa s PHE 61 Ca -0.02 0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.85 1rfa s PHE 61 Cb -0.17 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.45 1rfa s PHE 61 CO -0.07 0.67 0.69 -0.51 0.70 0.00 0.00 175.22 176.71 1rfa s LEU 62 N -1.51 3.44 0.00 -0.37 2.01 0.13 -1.26 118.68 121.12 1rfa s LEU 62 Ca 0.23 -0.12 0.29 0.00 0.01 0.00 0.00 54.13 54.54 1rfa s LEU 62 Cb -0.13 -2.82 1.27 0.00 0.01 0.00 0.00 46.19 44.52 1rfa s LEU 62 CO 0.12 -0.97 1.90 -2.65 1.01 0.00 0.00 176.35 175.76 1rfa n PRO 63 N -2.15 0.46 -0.24 1.29 -0.02 -1.18 -0.81 135.00 132.36 1rfa n PRO 63 Ca 0.07 -0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1rfa n PRO 63 Cb 0.59 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.17 2.17 0.00 2.55 4.13 -1.26 -4.83 115.26 116.85 1rfa n ASN 64 Ca 0.13 -2.15 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1rfa n ASN 64 Cb 0.28 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1rfa n LYS 65 N 0.35 -0.17 -1.00 3.52 4.76 0.01 -4.98 118.16 120.65 1rfa n LYS 65 Ca 0.11 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.48 1rfa n LYS 65 Cb 0.41 -3.13 0.07 0.00 -1.84 0.00 0.00 35.03 30.54 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 -2.55 -0.22 -3.61 1.97 1.13 -1.24 -4.65 117.38 108.21 1rfa n GLN 66 Ca 0.00 -0.93 -0.08 0.00 -1.94 0.00 0.00 57.00 54.05 1rfa n GLN 66 Cb 0.04 -0.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.92 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 -3.93 1.18 -0.17 -1.09 3.03 -1.25 0.19 118.95 116.90 1rfa s ARG 67 Ca 0.29 -0.55 -0.35 0.00 2.03 0.00 0.00 55.73 57.16 1rfa s ARG 67 Cb -0.01 0.47 0.15 0.00 -1.03 0.00 0.00 34.95 34.52 1rfa s ARG 67 CO 0.20 -0.53 1.36 -0.08 -1.13 0.00 0.00 175.30 175.13 1rfa s THR 68 N -3.43 0.00 -0.03 4.99 -1.32 -0.61 -4.93 115.64 110.32 1rfa s THR 68 Ca 0.07 -0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1rfa s THR 68 Cb -0.02 -1.49 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 1rfa s THR 68 CO -0.04 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.47 1rfa s VAL 69 N -2.14 2.50 0.10 5.08 1.01 -1.26 -0.26 120.40 125.43 1rfa s VAL 69 Ca 0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1rfa s VAL 69 Cb 0.03 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1rfa s VAL 69 CO -0.04 0.56 0.08 0.68 0.00 0.00 0.00 175.10 176.38 1rfa s VAL 70 N -0.68 0.14 0.32 2.92 -7.23 0.06 -4.96 120.40 110.97 1rfa s VAL 70 Ca 0.11 -1.67 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 1rfa s VAL 70 Cb -0.10 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1rfa s VAL 70 CO 0.00 -0.66 0.08 0.54 -0.31 0.00 0.00 175.10 174.75 1rfa s ASN 71 N -2.96 4.51 -0.14 4.85 2.20 -1.26 -0.38 114.94 121.76 1rfa s ASN 71 Ca 0.14 -0.81 -0.05 0.00 -0.94 0.00 0.00 52.86 51.20 1rfa s ASN 71 Cb 0.07 -0.70 -0.04 0.00 -2.00 0.00 0.00 41.25 38.58 1rfa s ASN 71 CO -0.05 -0.22 0.03 0.54 -2.94 0.00 0.00 177.10 174.46 1rfa s VAL 72 N -2.43 4.52 0.50 3.54 0.11 -1.24 -4.93 120.40 120.46 1rfa s VAL 72 Ca 0.36 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 1rfa s VAL 72 Cb -0.03 -2.98 0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1rfa s VAL 72 CO 0.21 0.52 0.59 -0.60 -3.33 0.00 0.00 175.10 172.50 1rfa s ARG 73 N -0.13 2.48 -0.55 1.54 6.06 -1.26 -5.02 118.95 122.08 1rfa s ARG 73 Ca 0.06 -1.57 -0.27 0.00 -2.50 0.00 0.00 55.73 51.44 1rfa s ARG 73 Cb -0.12 -2.54 0.03 0.00 0.06 0.00 0.00 34.95 32.38 1rfa s ARG 73 CO 0.02 -0.53 1.09 0.54 -2.50 0.00 0.00 175.30 173.91 1rfa s ASN 74 N -4.42 6.44 0.00 -2.12 4.22 -1.26 -2.20 114.94 115.61 1rfa s ASN 74 Ca 0.53 0.02 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 1rfa s ASN 74 Cb -0.06 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 39.96 1rfa s ASN 74 CO 0.32 -1.34 0.00 0.61 -2.04 0.00 0.00 177.10 174.65 1rfa n GLY 75 N 5.04 1.26 3.85 0.45 0.00 -1.26 -5.11 105.19 109.43 1rfa n GLY 75 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.94 -0.30 1.61 -1.94 -0.93 -4.96 119.30 116.71 1rfa s MET 76 Ca 0.00 0.71 -0.10 0.00 -1.71 0.00 0.00 55.69 54.59 1rfa s MET 76 Cb 0.00 -2.33 0.14 0.00 2.01 0.00 0.00 34.83 34.65 1rfa s MET 76 CO 0.00 -0.02 0.69 -1.12 -0.01 0.00 0.00 175.02 174.56 1rfa s SER 77 N -2.73 -1.10 0.00 3.03 0.01 -1.26 -4.75 113.70 106.90 1rfa s SER 77 Ca 0.55 1.40 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1rfa s SER 77 Cb -0.10 2.21 0.00 0.00 0.21 0.00 0.00 66.02 68.34 1rfa s SER 77 CO 0.24 -0.21 0.00 0.18 0.41 0.00 0.00 173.24 173.86 1rfa n LEU 78 N 5.39 0.00 0.13 2.44 7.99 -1.13 -0.68 117.00 131.14 1rfa n LEU 78 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.76 1rfa n LEU 78 Cb 0.50 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.74 1rfa n LEU 78 CO -0.03 0.00 0.77 -0.74 -1.51 0.00 0.00 177.39 175.88 1rfa h HIS 79 N 0.00 -0.37 -0.01 -1.77 2.76 -1.75 1.63 115.15 115.65 1rfa h HIS 79 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1rfa h HIS 79 Cb 0.00 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1rfa h HIS 79 CO 0.00 -0.22 -0.04 -0.25 -1.30 0.00 0.00 177.93 176.12 1rfa n ASP 80 N -5.26 0.61 -0.01 3.26 9.92 0.14 0.68 116.55 125.89 1rfa n ASP 80 Ca -0.08 -1.00 0.10 0.00 -0.53 0.00 0.00 54.79 53.28 1rfa n ASP 80 Cb 0.18 -0.03 -0.14 0.00 -0.64 0.00 0.00 41.12 40.49 1rfa n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rfa n LEU 82 N -2.09 0.00 0.06 0.00 4.77 0.54 -4.02 117.00 116.25 1rfa n LEU 82 Ca -0.03 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.17 1rfa n LEU 82 Cb 0.48 0.22 0.70 0.00 -2.33 0.00 0.00 43.42 42.49 1rfa n LEU 82 CO 0.40 0.22 1.19 -0.03 -1.33 0.00 0.00 177.39 177.85 1rfa h MET 83 N 0.00 0.00 0.17 3.23 4.05 0.11 0.87 114.93 123.36 1rfa h MET 83 Ca -0.25 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 58.87 1rfa h MET 83 Cb 1.45 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.27 1rfa h MET 83 CO 0.01 0.00 -1.32 -0.22 0.23 0.00 0.00 176.91 175.61 1rfa h LYS 84 N 0.00 0.41 -0.00 0.39 3.64 -1.76 0.68 116.57 119.93 1rfa h LYS 84 Ca 0.23 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1rfa h LYS 84 Cb 1.35 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1rfa h LYS 84 CO -0.00 1.31 -0.03 0.00 -2.27 0.00 0.00 179.45 178.46 1rfa n ALA 85 N -2.61 2.63 0.00 5.00 0.00 0.29 -1.99 120.51 123.82 1rfa n ALA 85 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1rfa n ALA 85 Cb 1.04 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1rfa n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rfa n LEU 86 N -1.03 0.00 -0.18 0.00 4.77 -0.37 -4.38 117.00 115.80 1rfa n LEU 86 Ca 0.17 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1rfa n LEU 86 Cb 0.22 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1rfa n LEU 86 CO 0.21 0.00 1.04 0.50 -1.33 0.00 0.00 177.39 177.82 1rfa h LYS 87 N 0.00 0.55 0.00 3.23 3.11 0.51 1.46 116.57 125.42 1rfa h LYS 87 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1rfa h LYS 87 Cb 0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1rfa h LYS 87 CO 0.00 0.36 0.00 -0.24 -2.81 0.00 0.00 179.45 176.76 1rfa h VAL 88 N 0.56 0.00 0.02 2.00 3.04 -1.62 -2.35 116.25 117.90 1rfa h VAL 88 Ca 0.24 -0.24 -0.36 0.00 -1.01 0.00 0.00 66.70 65.33 1rfa h VAL 88 Cb 0.12 1.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.39 1rfa h VAL 88 CO -0.15 0.00 -2.00 0.54 -1.01 0.00 0.00 177.57 174.95 1rfa n ARG 89 N -2.59 0.62 0.00 4.17 1.74 -0.57 -5.00 116.66 115.02 1rfa n ARG 89 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1rfa n ARG 89 Cb 0.19 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.58 1.76 3.82 -0.13 0.00 0.44 -5.08 105.19 107.58 1rfa n GLY 90 Ca -0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 2.83 -0.04 0.99 1.43 0.18 -4.99 118.68 119.07 1rfa s LEU 91 Ca 0.00 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 51.93 1rfa s LEU 91 Cb 0.00 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1rfa s LEU 91 CO 0.00 -0.84 -0.19 -1.10 0.23 0.00 0.00 176.35 174.45 1rfa s GLN 92 N -4.07 1.90 0.00 1.70 -0.21 -1.26 -4.41 119.66 113.31 1rfa s GLN 92 Ca 0.33 -0.68 0.17 0.00 0.02 0.00 0.00 55.36 55.19 1rfa s GLN 92 Cb 0.00 -1.67 0.19 0.00 1.00 0.00 0.00 33.01 32.54 1rfa s GLN 92 CO 0.19 0.30 1.10 -0.35 -2.12 0.00 0.00 175.29 174.41 1rfa n PRO 93 N 3.01 1.63 0.08 2.91 -0.04 -1.26 -4.25 135.00 137.08 1rfa n PRO 93 Ca -0.17 -1.67 0.12 0.00 -0.04 0.00 0.00 63.50 61.74 1rfa n PRO 93 Cb 0.53 -1.34 0.45 0.00 -0.04 0.00 0.00 33.50 33.10 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 0.98 0.15 -0.32 0.54 4.71 -1.26 -1.44 120.64 124.00 1rfa n GLU 94 Ca 0.11 0.26 0.07 0.00 -0.01 0.00 0.00 57.16 57.59 1rfa n GLU 94 Cb 0.44 -1.72 0.21 0.00 -1.01 0.00 0.00 31.44 29.36 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 -3.00 2.19 0.15 0.00 0.00 0.18 -4.80 121.76 116.48 1rfa s ALA 97 Ca 0.35 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1rfa s ALA 97 Cb 0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1rfa s ALA 97 CO 0.16 0.45 0.10 0.54 0.00 0.00 0.00 175.76 177.02 1rfa s VAL 98 N -0.31 4.36 0.23 0.00 0.11 -1.26 0.10 120.40 123.63 1rfa s VAL 98 Ca 0.01 -1.08 -0.09 0.00 -2.93 0.00 0.00 61.98 57.89 1rfa s VAL 98 Cb -0.13 -3.19 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1rfa s VAL 98 CO 0.02 -0.06 0.37 -0.36 -3.33 0.00 0.00 175.10 171.74 1rfa s PHE 99 N -1.67 0.57 0.05 1.54 0.40 0.16 -2.84 117.98 116.20 1rfa s PHE 99 Ca 0.30 -0.90 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 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 0.22 -0.87 -0.11 0.50 0.70 0.00 0.00 175.22 175.66 1rfa s ARG 100 N -4.05 2.26 1.01 0.44 3.52 0.20 -0.97 118.95 121.35 1rfa s ARG 100 Ca 0.26 -0.91 -0.16 0.00 -0.13 0.00 0.00 55.73 54.79 1rfa s ARG 100 Cb 0.02 -2.34 0.21 0.00 -1.56 0.00 0.00 34.95 31.28 1rfa s ARG 100 CO 0.09 0.55 1.25 -0.51 -0.81 0.00 0.00 175.30 175.87 1rfa s LEU 101 N -1.71 2.16 -0.95 -0.88 1.02 -1.19 -0.10 118.68 117.03 1rfa s LEU 101 Ca 0.18 0.44 -0.22 0.00 0.02 0.00 0.00 54.13 54.55 1rfa s LEU 101 Cb -0.11 -2.46 0.08 0.00 0.02 0.00 0.00 46.19 43.72 1rfa s LEU 101 CO 0.09 -3.00 1.30 -1.48 0.02 0.00 0.00 176.35 173.27 1rfa s LEU 102 N -6.14 4.09 -0.02 1.79 0.05 -1.26 -4.43 118.68 112.77 1rfa s LEU 102 Ca 0.72 -1.57 0.19 0.00 0.05 0.00 0.00 54.13 53.51 1rfa s LEU 102 Cb -0.07 -2.50 -0.26 0.00 -2.05 0.00 0.00 46.19 41.31 1rfa s LEU 102 CO 0.53 -1.37 0.57 1.41 -0.55 0.00 0.00 176.35 176.95 1rfa n HIS 103 N 8.01 0.00 -2.19 3.48 8.25 -1.26 -4.32 115.22 127.19 1rfa n HIS 103 Ca 0.26 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.73 1rfa n HIS 103 Cb 0.50 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.88 0.00 -4.29 -0.41 4.71 -1.26 -5.09 120.64 112.41 1rfa n GLU 104 Ca -0.01 -1.38 -0.19 0.00 -0.01 0.00 0.00 57.16 55.57 1rfa n GLU 104 Cb 0.42 -0.30 -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 1.69 -0.03 -0.32 0.09 -1.26 -5.15 115.29 110.31 1rfa s HIS 105 Ca 0.13 -1.60 -0.06 0.00 -0.00 0.00 0.00 55.06 53.53 1rfa s HIS 105 Cb 0.15 -0.74 0.01 0.00 -0.00 0.00 0.00 32.58 32.00 1rfa s HIS 105 CO -0.07 -0.80 0.14 0.15 -0.00 0.00 0.00 174.74 174.17 1rfa s LYS 106 N -3.55 0.29 0.00 1.40 -0.14 -1.26 -4.77 119.74 111.71 1rfa s LYS 106 Ca 0.39 -0.03 0.00 0.00 -1.36 0.00 0.00 55.97 54.97 1rfa s LYS 106 Cb 0.03 0.13 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 1rfa s LYS 106 CO 0.25 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.19 1rfa n GLY 107 N 2.39 2.40 0.00 -3.33 0.00 -1.26 -4.85 105.19 100.54 1rfa n GLY 107 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1rfa n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rfa n LYS 108 N 0.00 3.76 -3.67 1.61 4.76 -1.26 -5.11 118.16 118.25 1rfa n LYS 108 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1rfa n LYS 108 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rfa s LYS 109 N 2.97 0.98 -0.23 1.97 1.02 -1.26 -4.24 119.74 120.94 1rfa s LYS 109 Ca 0.00 -0.57 -0.20 0.00 0.02 0.00 0.00 55.97 55.22 1rfa s LYS 109 Cb 0.00 0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 37.72 1rfa s LYS 109 CO 0.00 -0.36 0.62 0.00 -0.92 0.00 0.00 175.35 174.69 1rfa s ALA 110 N -3.19 3.58 0.21 5.17 0.00 0.86 -4.91 121.76 123.48 1rfa s ALA 110 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1rfa s ALA 110 Cb 0.01 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 1rfa s ALA 110 CO -0.08 -0.70 0.64 0.50 0.00 0.00 0.00 175.76 176.13 1rfa s ARG 111 N 2.25 4.06 0.00 0.00 3.00 -1.26 0.60 118.95 127.59 1rfa s ARG 111 Ca 0.27 0.63 0.00 0.00 -1.00 0.00 0.00 55.73 55.63 1rfa s ARG 111 Cb -0.16 -2.81 0.00 0.00 0.00 0.00 0.00 34.95 31.99 1rfa s ARG 111 CO 0.09 0.38 0.00 1.28 0.00 0.00 0.00 175.30 177.05 1rfa n LEU 112 N 0.50 0.00 -3.80 -0.88 4.77 -1.13 -4.87 117.00 111.59 1rfa n LEU 112 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 1rfa n LEU 112 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1rfa n LEU 112 CO 0.43 0.00 0.48 -0.62 -1.33 0.00 0.00 177.39 176.35 1rfa s ASP 113 N 0.25 -0.29 0.00 -1.43 2.15 -1.26 -4.98 116.67 111.10 1rfa s ASP 113 Ca 0.00 -0.53 0.24 0.00 0.43 0.00 0.00 52.55 52.69 1rfa s ASP 113 Cb 0.00 0.70 0.27 0.00 -0.30 0.00 0.00 42.92 43.59 1rfa s ASP 113 CO 0.00 -1.28 1.25 0.79 -0.17 0.00 0.00 175.17 175.77 1rfa n TRP 114 N -0.45 0.00 -0.88 -5.34 5.03 -1.26 -3.33 117.44 111.21 1rfa n TRP 114 Ca -0.06 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.55 1rfa n TRP 114 Cb 0.60 -0.08 0.30 0.00 -1.03 0.00 0.00 31.31 31.10 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 4.38 -4.78 -0.99 5.15 -1.26 -2.20 115.26 114.81 1rfa n ASN 115 Ca 0.09 -2.87 -0.37 0.00 -0.60 0.00 0.00 54.58 50.82 1rfa n ASN 115 Cb 0.38 -0.56 -0.05 0.00 -0.53 0.00 0.00 39.78 39.02 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 -2.59 3.80 -0.44 -0.44 2.01 -1.21 -4.88 115.64 111.89 1rfa s THR 116 Ca 0.45 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.65 1rfa s THR 116 Cb 0.34 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 1rfa s THR 116 CO 0.13 0.10 1.58 1.51 -0.69 0.00 0.00 174.62 177.25 1rfa s ASP 117 N -1.46 6.04 0.00 3.53 -4.77 -1.26 -2.82 116.67 115.93 1rfa s ASP 117 Ca 0.54 0.82 0.15 0.00 -3.30 0.00 0.00 52.55 50.75 1rfa s ASP 117 Cb -0.23 -2.54 0.83 0.00 -1.09 0.00 0.00 42.92 39.90 1rfa s ASP 117 CO 0.29 -1.67 1.39 0.00 0.70 0.00 0.00 175.17 175.88 1rfa n ALA 118 N 9.85 1.94 0.95 2.11 0.00 -1.26 -0.27 120.51 133.82 1rfa n ALA 118 Ca 0.18 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1rfa n ALA 118 Cb 0.48 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.17 2.53 0.16 0.00 0.00 -1.26 -3.40 120.51 117.36 1rfa n ALA 119 Ca 0.09 -0.68 0.04 0.00 0.00 0.00 0.00 53.44 52.89 1rfa n ALA 119 Cb 0.09 -0.77 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.20 2.06 0.00 0.00 7.64 0.62 -4.69 113.62 120.45 1rfa n SER 120 Ca 0.13 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1rfa n SER 120 Cb 0.56 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.37 0.00 -2.32 -3.43 4.77 -1.02 -5.04 117.00 110.34 1rfa n LEU 121 Ca 0.06 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1rfa n LEU 121 Cb 0.27 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1rfa n LEU 121 CO 0.05 0.00 -0.41 -0.38 -1.33 0.00 0.00 177.39 175.32 1rfa n ILE 122 N 0.00-11.13 -1.55 -0.08 2.08 -1.23 -4.52 119.36 102.92 1rfa n ILE 122 Ca 0.00 2.62 0.00 0.00 0.56 0.00 0.00 62.75 65.93 1rfa n ILE 122 Cb 0.00 -5.33 0.00 0.00 -0.75 0.00 0.00 39.64 33.56 1rfa n ILE 122 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rfa n GLY 123 N 1.89 0.73 3.46 7.39 0.00 0.39 -4.75 105.19 114.29 1rfa n GLY 123 Ca -0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1rfa n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfa s GLU 124 N -3.32 1.86 -0.13 1.61 0.41 -1.26 -5.08 118.70 112.79 1rfa s GLU 124 Ca 0.00 -2.11 -0.03 0.00 -0.41 0.00 0.00 54.97 52.41 1rfa s GLU 124 Cb 0.00 -0.44 -0.03 0.00 -1.78 0.00 0.00 34.13 31.88 1rfa s GLU 124 CO 0.00 -0.49 -0.01 -1.21 -0.49 0.00 0.00 175.26 173.06 1rfa s GLU 125 N -3.70 3.45 0.12 1.61 2.02 -1.26 -2.66 118.70 118.29 1rfa s GLU 125 Ca 0.28 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.87 1rfa s GLU 125 Cb 0.03 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1rfa s GLU 125 CO 0.16 0.42 -0.03 -0.51 0.02 0.00 0.00 175.26 175.32 1rfa s LEU 126 N -0.09 3.28 0.05 1.80 2.01 0.31 -3.15 118.68 122.88 1rfa s LEU 126 Ca 0.03 -0.31 0.02 0.00 0.01 0.00 0.00 54.13 53.88 1rfa s LEU 126 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 46.19 44.04 1rfa s LEU 126 CO 0.02 0.15 -0.08 -1.58 1.01 0.00 0.00 176.35 175.87 1rfa s GLN 127 N -2.47 0.57 0.01 1.70 0.74 -0.14 -0.06 119.66 120.01 1rfa s GLN 127 Ca 0.25 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 54.92 1rfa s GLN 127 Cb -0.11 -0.31 -0.03 0.00 1.10 0.00 0.00 33.01 33.66 1rfa s GLN 127 CO 0.17 0.05 -0.23 0.08 -0.55 0.00 0.00 175.29 174.82 1rfa s VAL 128 N -1.57 2.41 0.29 1.34 1.01 -0.39 0.41 120.40 123.89 1rfa s VAL 128 Ca -0.08 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1rfa s VAL 128 Cb -0.09 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 1rfa s VAL 128 CO 0.00 0.44 0.03 -0.62 0.00 0.00 0.00 175.10 174.96 1rfa s ASP 129 N -1.06 2.18 0.27 3.32 -1.08 0.29 -3.10 116.67 117.48 1rfa s ASP 129 Ca 0.12 -1.32 -0.03 0.00 -0.52 0.00 0.00 52.55 50.80 1rfa s ASP 129 Cb -0.10 -0.05 -0.05 0.00 -1.46 0.00 0.00 42.92 41.26 1rfa s ASP 129 CO 0.02 -0.57 0.50 0.12 0.52 0.00 0.00 175.17 175.77 1rfa s PHE 130 N -3.34 3.48 0.00 -5.34 5.36 -1.26 0.51 117.98 117.39 1rfa s PHE 130 Ca 0.34 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 1rfa s PHE 130 Cb 0.07 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1rfa s PHE 130 CO 0.13 0.23 0.00 1.28 -1.46 0.00 0.00 175.22 175.40 1rfa n LEU 131 N -0.98 0.00 0.00 6.12 4.77 -1.13 -4.62 117.00 121.16 1rfa n LEU 131 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1rfa n LEU 131 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rfa n LEU 131 CO 0.48 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.87