#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 -4.05 -3.46 2.85 -1.26 -4.83 115.26 104.51 1rfa n ASN 56 Ca 0.00 -1.20 -0.13 0.00 -0.11 0.00 0.00 54.58 53.14 1rfa n ASN 56 Cb 0.00 -0.04 -0.12 0.00 1.24 0.00 0.00 39.78 40.86 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 0.52 0.06 -0.44 -4.23 -1.26 -1.80 115.64 108.49 1rfa s THR 57 Ca 0.00 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1rfa s THR 57 Cb 0.00 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 1rfa s THR 57 CO 0.00 -0.33 0.06 -0.63 -0.54 0.00 0.00 174.62 173.18 1rfa s ILE 58 N -1.25 0.18 -0.16 2.99 1.01 -0.90 -1.02 121.20 122.06 1rfa s ILE 58 Ca -0.09 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.11 1rfa s ILE 58 Cb -0.09 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1rfa s ILE 58 CO 0.00 -0.81 -0.16 -0.13 0.00 0.00 0.00 174.94 173.84 1rfa s ARG 59 N -3.57 3.17 -0.37 2.79 0.52 -1.23 -0.83 118.95 119.43 1rfa s ARG 59 Ca 0.03 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.34 1rfa s ARG 59 Cb 0.05 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1rfa s ARG 59 CO -0.09 -0.02 0.25 0.08 0.02 0.00 0.00 175.30 175.54 1rfa s VAL 60 N 0.88 5.07 0.08 3.52 1.01 0.13 0.14 120.40 131.23 1rfa s VAL 60 Ca -0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1rfa s VAL 60 Cb -0.15 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1rfa s VAL 60 CO -0.02 -0.15 0.41 -0.36 0.00 0.00 0.00 175.10 174.98 1rfa s PHE 61 N 1.66 3.59 0.51 5.22 0.40 -0.18 -1.01 117.98 128.17 1rfa s PHE 61 Ca 0.05 0.81 0.09 0.00 -0.60 0.00 0.00 56.93 57.27 1rfa s PHE 61 Cb -0.18 -2.17 0.05 0.00 0.51 0.00 0.00 43.02 41.23 1rfa s PHE 61 CO 0.09 0.52 0.66 -0.51 0.70 0.00 0.00 175.22 176.68 1rfa s LEU 62 N -1.90 3.28 0.01 -0.37 1.02 0.33 -0.26 118.68 120.79 1rfa s LEU 62 Ca 0.33 -0.72 0.27 0.00 0.02 0.00 0.00 54.13 54.02 1rfa s LEU 62 Cb -0.14 -1.98 0.84 0.00 0.02 0.00 0.00 46.19 44.93 1rfa s LEU 62 CO 0.18 -1.08 1.65 -2.65 0.02 0.00 0.00 176.35 174.47 1rfa n PRO 63 N -2.03 0.01 -0.32 1.29 -0.02 -1.15 -1.42 135.00 131.37 1rfa n PRO 63 Ca 0.11 0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 1rfa n PRO 63 Cb 0.61 -1.51 0.17 0.00 -0.02 0.00 0.00 33.50 32.75 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 -1.53 2.63 0.00 2.55 4.13 -1.26 -4.81 115.26 116.97 1rfa n ASN 64 Ca 0.06 -2.25 0.00 0.00 1.68 0.00 0.00 54.58 54.07 1rfa n ASN 64 Cb 0.34 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.38 -0.06 -1.61 3.52 4.76 -0.51 -4.99 118.16 119.65 1rfa n LYS 65 Ca 0.12 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 1rfa n LYS 65 Cb 0.52 -2.97 0.10 0.00 -1.84 0.00 0.00 35.03 30.84 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 -2.68 -0.20 -3.64 1.97 1.13 -1.24 -4.66 117.38 108.07 1rfa n GLN 66 Ca 0.00 -1.56 -0.06 0.00 -1.94 0.00 0.00 57.00 53.44 1rfa n GLN 66 Cb 0.01 -0.58 -0.02 0.00 0.11 0.00 0.00 30.24 29.76 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 -4.37 1.08 -0.10 -1.09 3.03 -1.26 0.12 118.95 116.37 1rfa s ARG 67 Ca 0.44 -0.52 -0.32 0.00 2.03 0.00 0.00 55.73 57.36 1rfa s ARG 67 Cb -0.02 0.42 0.12 0.00 -1.03 0.00 0.00 34.95 34.44 1rfa s ARG 67 CO 0.30 -0.49 1.06 -0.08 -1.13 0.00 0.00 175.30 174.96 1rfa s THR 68 N -3.29 0.00 -0.02 4.99 -1.32 -0.18 -4.93 115.64 110.90 1rfa s THR 68 Ca 0.09 -0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1rfa s THR 68 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1rfa s THR 68 CO -0.03 0.00 0.06 0.54 -2.21 0.00 0.00 174.62 172.98 1rfa s VAL 69 N -2.76 4.58 0.18 5.08 0.11 -1.26 0.23 120.40 126.55 1rfa s VAL 69 Ca 0.07 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 1rfa s VAL 69 Cb -0.01 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 1rfa s VAL 69 CO -0.07 0.40 -0.13 0.68 -3.33 0.00 0.00 175.10 172.65 1rfa s VAL 70 N -1.13 1.51 0.09 2.04 -7.23 -0.01 -4.94 120.40 110.73 1rfa s VAL 70 Ca 0.21 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1rfa s VAL 70 Cb -0.12 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1rfa s VAL 70 CO 0.11 -0.62 -0.10 0.20 -0.31 0.00 0.00 175.10 174.38 1rfa s ASN 71 N -3.17 4.37 -0.21 4.85 0.01 -1.26 -2.12 114.94 117.41 1rfa s ASN 71 Ca 0.19 -0.37 -0.03 0.00 -0.71 0.00 0.00 52.86 51.95 1rfa s ASN 71 Cb -0.00 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.82 1rfa s ASN 71 CO 0.04 0.19 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.05 1rfa s VAL 72 N -1.17 3.02 0.00 1.60 1.01 -0.75 -4.98 120.40 119.13 1rfa s VAL 72 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1rfa s VAL 72 Cb -0.11 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1rfa s VAL 72 CO 0.12 0.44 0.00 -1.14 0.00 0.00 0.00 175.10 174.52 1rfa n ARG 73 N 4.75 3.27 -3.81 2.72 3.00 -1.26 -4.94 116.66 120.39 1rfa n ARG 73 Ca -0.19 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.30 1rfa n ARG 73 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.83 1rfa n ARG 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1rfa s ASN 74 N -0.87 4.85 0.00 6.15 4.22 -1.26 -4.57 114.94 123.46 1rfa s ASN 74 Ca 0.00 -0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 1rfa s ASN 74 Cb 0.00 -1.86 0.00 0.00 1.28 0.00 0.00 41.25 40.67 1rfa s ASN 74 CO 0.00 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 1rfa n GLY 75 N 4.88 2.19 7.00 0.45 0.00 -1.26 -5.02 105.19 113.43 1rfa n GLY 75 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 -0.47 1.61 0.00 -1.26 -4.89 117.12 112.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 4.41 -3.23 -0.05 3.17 7.64 -1.26 -3.56 113.62 120.75 1rfa n SER 77 Ca 0.00 0.37 -0.13 0.00 1.01 0.00 0.00 58.87 60.12 1rfa n SER 77 Cb 0.00 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.41 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 0.47 -1.54 0.13 -3.43 -0.00 -1.46 1.24 115.31 110.72 1rfa h LEU 78 Ca 0.00 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1rfa h LEU 78 Cb 0.01 0.63 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1rfa h LEU 78 CO 0.00 -0.43 -0.06 0.45 -0.00 0.00 0.00 178.44 178.40 1rfa h HIS 79 N -0.47 -0.16 0.00 1.13 3.86 -0.75 1.00 115.15 119.75 1rfa h HIS 79 Ca 0.08 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1rfa h HIS 79 Cb 0.63 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1rfa h HIS 79 CO -0.58 -0.08 0.00 -0.44 0.86 0.00 0.00 177.93 177.69 1rfa h ASP 80 N -0.19 0.00 0.90 2.45 5.19 -1.18 0.55 116.42 124.15 1rfa h ASP 80 Ca -0.02 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1rfa h ASP 80 Cb 0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1rfa h ASP 80 CO 0.03 0.00 -1.12 0.00 -3.12 0.00 0.00 179.24 175.03 1rfa n LEU 82 N -2.72 0.48 0.00 0.00 4.77 0.33 -3.48 117.00 116.38 1rfa n LEU 82 Ca -0.02 -0.28 0.03 0.00 -0.03 0.00 0.00 56.01 55.71 1rfa n LEU 82 Cb 0.62 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.87 1rfa n LEU 82 CO 0.41 0.12 0.50 0.80 -1.33 0.00 0.00 177.39 177.88 1rfa n MET 83 N -1.75 0.76 -0.09 3.23 1.56 0.19 0.16 117.12 121.17 1rfa n MET 83 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.28 1rfa n MET 83 Cb 0.38 -1.11 -0.09 0.00 2.15 0.00 0.00 33.22 34.55 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 0.00 -0.00 2.12 6.56 -1.68 -3.35 116.57 120.22 1rfa h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1rfa h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1rfa h LYS 84 CO 0.00 0.71 -0.02 0.00 -2.06 0.00 0.00 179.45 178.08 1rfa n ALA 85 N -3.29 2.64 0.00 3.86 0.00 0.12 -1.19 120.51 122.65 1rfa n ALA 85 Ca -0.21 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1rfa n ALA 85 Cb 0.51 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.97 0.16 -0.28 0.00 4.77 -0.61 -4.44 117.00 115.63 1rfa n LEU 86 Ca 0.20 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1rfa n LEU 86 Cb 0.19 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.47 1rfa n LEU 86 CO 0.20 0.03 1.26 0.50 -1.33 0.00 0.00 177.39 178.05 1rfa h LYS 87 N 0.00 1.12 0.00 3.23 3.11 -1.67 1.46 116.57 123.82 1rfa h LYS 87 Ca 0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1rfa h LYS 87 Cb 0.47 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1rfa h LYS 87 CO 0.00 0.74 0.00 -0.24 -2.81 0.00 0.00 179.45 177.14 1rfa h VAL 88 N 1.15 0.00 0.02 2.00 3.04 -1.39 -2.73 116.25 118.34 1rfa h VAL 88 Ca 0.31 -0.29 -0.37 0.00 -1.01 0.00 0.00 66.70 65.34 1rfa h VAL 88 Cb -0.13 1.13 -0.05 0.00 -2.01 0.00 0.00 31.29 30.23 1rfa h VAL 88 CO -0.07 0.00 -2.07 0.54 -1.01 0.00 0.00 177.57 174.97 1rfa n ARG 89 N -2.67 0.62 0.00 4.17 1.74 -0.20 -5.00 116.66 115.32 1rfa n ARG 89 Ca 0.01 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1rfa n ARG 89 Cb 0.22 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.59 1.99 3.90 -0.13 0.00 0.45 -5.08 105.19 107.90 1rfa n GLY 90 Ca -0.43 0.00 -0.25 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 2.86 -0.04 0.99 1.43 0.17 -4.98 118.68 119.11 1rfa s LEU 91 Ca 0.00 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1rfa s LEU 91 Cb 0.00 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1rfa s LEU 91 CO 0.00 -1.01 -0.23 -1.10 0.23 0.00 0.00 176.35 174.24 1rfa s GLN 92 N -4.25 2.34 -0.01 1.70 -0.21 -1.26 -4.34 119.66 113.62 1rfa s GLN 92 Ca 0.38 -0.87 0.21 0.00 0.02 0.00 0.00 55.36 55.10 1rfa s GLN 92 Cb -0.02 -2.16 -0.26 0.00 1.00 0.00 0.00 33.01 31.57 1rfa s GLN 92 CO 0.23 0.52 0.77 -0.35 -2.12 0.00 0.00 175.29 174.34 1rfa n PRO 93 N 2.57 0.23 0.00 2.91 -0.04 -1.26 -4.07 135.00 135.34 1rfa n PRO 93 Ca -0.17 -0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1rfa n PRO 93 Cb 0.52 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.99 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 -1.72 0.12 -0.45 0.54 4.71 -1.26 -1.38 120.64 121.20 1rfa n GLU 94 Ca 0.02 0.10 0.08 0.00 -0.01 0.00 0.00 57.16 57.35 1rfa n GLU 94 Cb 0.40 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.61 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 -3.73 1.67 0.18 0.00 0.00 0.26 -4.58 121.76 115.57 1rfa s ALA 97 Ca 0.38 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1rfa s ALA 97 Cb 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1rfa s ALA 97 CO 0.18 0.39 0.11 0.54 0.00 0.00 0.00 175.76 176.97 1rfa s VAL 98 N -0.36 4.26 0.23 0.00 0.11 -1.26 0.13 120.40 123.50 1rfa s VAL 98 Ca 0.05 -1.23 -0.08 0.00 -2.93 0.00 0.00 61.98 57.79 1rfa s VAL 98 Cb -0.09 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.56 1rfa s VAL 98 CO -0.00 -0.15 0.33 -0.36 -3.33 0.00 0.00 175.10 171.59 1rfa s PHE 99 N -1.81 0.72 0.10 1.54 0.40 0.14 -2.19 117.98 116.87 1rfa s PHE 99 Ca 0.30 -1.02 0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1rfa s PHE 99 Cb -0.09 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.26 1rfa s PHE 99 CO 0.22 -0.85 -0.09 0.50 0.70 0.00 0.00 175.22 175.70 1rfa s ARG 100 N -4.05 2.17 0.74 0.44 3.52 0.21 -1.21 118.95 120.77 1rfa s ARG 100 Ca 0.30 -1.00 -0.12 0.00 -0.13 0.00 0.00 55.73 54.78 1rfa s ARG 100 Cb 0.03 -2.33 0.17 0.00 -1.56 0.00 0.00 34.95 31.26 1rfa s ARG 100 CO 0.11 0.51 1.00 1.28 -0.81 0.00 0.00 175.30 177.39 1rfa n LEU 101 N 0.75 0.00 -4.50 -0.88 4.77 -0.72 0.17 117.00 116.60 1rfa n LEU 101 Ca -0.13 -1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 54.28 1rfa n LEU 101 Cb 0.52 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1rfa n LEU 101 CO 0.33 -1.21 1.38 -1.48 -1.33 0.00 0.00 177.39 175.09 1rfa s LEU 102 N 0.00 4.58 0.02 2.23 -0.00 -1.26 -4.42 118.68 119.83 1rfa s LEU 102 Ca 0.57 -2.34 0.22 0.00 -0.00 0.00 0.00 54.13 52.58 1rfa s LEU 102 Cb -0.02 -2.46 -0.05 0.00 -0.00 0.00 0.00 46.19 43.67 1rfa s LEU 102 CO 0.40 -1.05 0.96 1.41 -0.00 0.00 0.00 176.35 178.07 1rfa n HIS 103 N 6.96 0.11 -2.38 3.48 8.25 -1.26 -4.17 115.22 126.21 1rfa n HIS 103 Ca 0.34 0.03 0.02 0.00 -0.26 0.00 0.00 57.72 57.85 1rfa n HIS 103 Cb 0.47 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.80 0.00 -4.27 -0.41 4.71 -1.26 -5.10 120.64 112.52 1rfa n GLU 104 Ca 0.02 -1.76 -0.15 0.00 -0.01 0.00 0.00 57.16 55.27 1rfa n GLU 104 Cb 0.41 0.09 -0.10 0.00 -1.01 0.00 0.00 31.44 30.83 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 1.39 -0.19 -0.32 3.76 -1.26 -5.07 115.29 113.59 1rfa s HIS 105 Ca 0.26 -1.30 -0.07 0.00 -0.15 0.00 0.00 55.06 53.80 1rfa s HIS 105 Cb 0.30 -0.74 -0.21 0.00 1.11 0.00 0.00 32.58 33.04 1rfa s HIS 105 CO -0.13 -0.50 0.08 1.17 -0.85 0.00 0.00 174.74 174.51 1rfa n LYS 106 N -0.40 0.68 -2.71 1.40 3.00 -1.26 -4.78 118.16 114.10 1rfa n LYS 106 Ca 0.01 0.27 -0.07 0.00 -0.00 0.00 0.00 58.31 58.52 1rfa n LYS 106 Cb 0.66 -1.63 0.10 0.00 0.00 0.00 0.00 35.03 34.15 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 1.92 0.02 3.35 3.14 0.00 -1.26 -5.06 105.19 107.31 1rfa n GLY 107 Ca -0.39 0.25 -0.11 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 0.19 0.49 -0.03 1.61 1.02 -1.26 -5.13 119.74 116.63 1rfa s LYS 108 Ca 0.21 0.78 -0.09 0.00 0.02 0.00 0.00 55.97 56.89 1rfa s LYS 108 Cb 0.29 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.66 1rfa s LYS 108 CO -0.09 -0.12 0.27 0.15 -0.92 0.00 0.00 175.35 174.64 1rfa s LYS 109 N 0.96 3.64 -0.20 1.68 1.02 -1.26 -4.02 119.74 121.55 1rfa s LYS 109 Ca -0.06 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.76 1rfa s LYS 109 Cb -0.06 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1rfa s LYS 109 CO -0.08 0.70 0.75 0.00 -0.92 0.00 0.00 175.35 175.80 1rfa s ALA 110 N -1.15 3.56 0.07 5.17 0.00 0.13 -4.87 121.76 124.66 1rfa s ALA 110 Ca 0.23 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1rfa s ALA 110 Cb -0.14 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1rfa s ALA 110 CO 0.11 -0.69 0.45 0.50 0.00 0.00 0.00 175.76 176.13 1rfa s ARG 111 N 2.25 3.89 0.00 0.00 3.00 -1.26 0.67 118.95 127.50 1rfa s ARG 111 Ca 0.33 0.37 0.00 0.00 -1.00 0.00 0.00 55.73 55.43 1rfa s ARG 111 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.72 1rfa s ARG 111 CO 0.10 0.59 0.00 1.28 0.00 0.00 0.00 175.30 177.28 1rfa n LEU 112 N 1.25 0.00 -4.38 -0.88 4.77 -0.93 -4.91 117.00 111.93 1rfa n LEU 112 Ca -0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1rfa n LEU 112 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1rfa n LEU 112 CO 0.41 -0.00 -0.54 -0.62 -1.33 0.00 0.00 177.39 175.30 1rfa s ASP 113 N 0.64 3.16 0.00 -1.43 2.15 -1.26 -4.86 116.67 115.07 1rfa s ASP 113 Ca 0.00 -0.78 0.14 0.00 0.43 0.00 0.00 52.55 52.33 1rfa s ASP 113 Cb 0.00 -0.21 0.82 0.00 -0.30 0.00 0.00 42.92 43.23 1rfa s ASP 113 CO 0.00 0.12 1.46 0.79 -0.17 0.00 0.00 175.17 177.37 1rfa n TRP 114 N 0.69 0.00 -1.66 -5.34 5.03 -1.26 -0.36 117.44 114.54 1rfa n TRP 114 Ca -0.16 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.43 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 -0.74 1.50 -4.77 -0.99 5.15 -1.26 -0.06 115.26 114.09 1rfa n ASN 115 Ca 0.10 -2.98 -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 38.90 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 -2.00 3.10 -0.91 -0.44 2.01 0.51 -4.26 115.64 113.66 1rfa s THR 116 Ca 0.29 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 62.73 1rfa s THR 116 Cb 0.28 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1rfa s THR 116 CO -0.04 -0.15 1.65 -0.62 -0.69 0.00 0.00 174.62 174.77 1rfa s ASP 117 N -1.77 5.85 0.16 3.53 2.15 -1.26 -1.83 116.67 123.50 1rfa s ASP 117 Ca 0.73 -0.89 0.18 0.00 0.43 0.00 0.00 52.55 53.00 1rfa s ASP 117 Cb -0.25 -2.56 0.80 0.00 -0.30 0.00 0.00 42.92 40.61 1rfa s ASP 117 CO 0.28 -2.08 1.56 0.00 -0.17 0.00 0.00 175.17 174.76 1rfa n ALA 118 N 11.18 1.54 1.64 3.66 0.00 -1.26 0.11 120.51 137.39 1rfa n ALA 118 Ca 0.31 0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.95 1rfa n ALA 118 Cb 0.49 -1.30 0.83 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.66 2.55 0.50 0.00 0.00 -1.26 -1.22 120.51 119.42 1rfa n ALA 119 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.38 1rfa n ALA 119 Cb 0.17 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.17 0.80 -1.35 0.00 7.64 0.12 -3.82 113.62 115.84 1rfa n SER 120 Ca 0.18 -0.54 0.08 0.00 1.01 0.00 0.00 58.87 59.60 1rfa n SER 120 Cb 0.19 1.35 0.32 0.00 -1.01 0.00 0.00 64.21 65.06 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 -1.73 4.50 -4.76 -3.43 7.99 -0.36 -4.99 117.00 114.24 1rfa n LEU 121 Ca 0.01 -2.64 -0.41 0.00 -0.01 0.00 0.00 56.01 52.96 1rfa n LEU 121 Cb 0.37 -0.55 -0.03 0.00 -0.11 0.00 0.00 43.42 43.10 1rfa n LEU 121 CO 0.38 0.73 0.96 -0.51 -1.51 0.00 0.00 177.39 177.43 1rfa s ILE 122 N -2.18 2.98 0.00 -0.08 1.10 -0.55 -2.95 121.20 119.52 1rfa s ILE 122 Ca 0.46 0.92 0.00 0.00 -0.51 0.00 0.00 60.65 61.52 1rfa s ILE 122 Cb 0.32 -3.59 0.00 0.00 0.15 0.00 0.00 42.46 39.35 1rfa s ILE 122 CO 0.18 0.19 0.00 0.61 -2.11 0.00 0.00 174.94 173.81 1rfa n GLY 123 N 1.38 0.84 0.00 1.50 0.00 -0.18 -4.68 105.19 104.04 1rfa n GLY 123 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.60 0.70 -4.74 1.61 -0.58 -1.15 -5.02 120.64 110.86 1rfa n GLU 124 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1rfa n GLU 124 Cb 0.50 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.20 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 0.31 2.22 0.35 3.49 2.02 -1.26 -3.51 118.70 122.30 1rfa s GLU 125 Ca 0.00 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1rfa s GLU 125 Cb 0.00 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 1rfa s GLU 125 CO 0.00 0.05 0.34 -0.51 0.02 0.00 0.00 175.26 175.17 1rfa s LEU 126 N 0.65 3.65 0.04 1.80 1.43 0.37 -1.75 118.68 124.86 1rfa s LEU 126 Ca -0.14 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1rfa s LEU 126 Cb -0.16 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1rfa s LEU 126 CO 0.04 -0.41 0.26 -1.58 0.23 0.00 0.00 176.35 174.88 1rfa s GLN 127 N -4.05 0.74 -0.00 1.70 0.74 -0.35 -1.01 119.66 117.42 1rfa s GLN 127 Ca 0.43 -0.53 0.05 0.00 0.05 0.00 0.00 55.36 55.37 1rfa s GLN 127 Cb -0.06 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 1rfa s GLN 127 CO 0.28 -0.23 -0.16 0.08 -0.55 0.00 0.00 175.29 174.72 1rfa s VAL 128 N -2.42 2.96 0.00 1.34 1.01 0.64 0.24 120.40 124.17 1rfa s VAL 128 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1rfa s VAL 128 Cb -0.01 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1rfa s VAL 128 CO -0.03 0.46 0.00 -0.67 0.00 0.00 0.00 175.10 174.87 1rfa n ASP 129 N 1.92 0.67 -4.91 3.32 -0.08 0.35 -2.92 116.55 114.89 1rfa n ASP 129 Ca -0.16 -0.98 -0.28 0.00 -1.51 0.00 0.00 54.79 51.85 1rfa n ASP 129 Cb 0.52 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.06 1rfa n ASP 129 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1rfa s PHE 130 N -1.64 2.95 0.07 -0.67 5.36 -1.26 -0.57 117.98 122.22 1rfa s PHE 130 Ca 0.00 0.67 -0.31 0.00 -0.96 0.00 0.00 56.93 56.33 1rfa s PHE 130 Cb 0.00 -3.39 -0.09 0.00 -0.34 0.00 0.00 43.02 39.21 1rfa s PHE 130 CO 0.00 -1.64 1.78 -0.51 -1.46 0.00 0.00 175.22 173.39 1rfa s LEU 131 N -5.47 4.39 0.00 6.12 1.43 -1.24 -3.23 118.68 120.68 1rfa s LEU 131 Ca 0.61 2.59 0.30 0.00 -1.03 0.00 0.00 54.13 56.60 1rfa s LEU 131 Cb -0.11 -3.55 1.51 0.00 0.03 0.00 0.00 46.19 44.07 1rfa s LEU 131 CO 0.48 -0.97 2.00 -0.90 0.23 0.00 0.00 176.35 177.19