#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 -4.26 -3.46 6.94 -1.26 -4.80 115.26 108.42 1rfa n ASN 56 Ca 0.00 -1.65 -0.21 0.00 -0.02 0.00 0.00 54.58 52.70 1rfa n ASN 56 Cb 0.00 -0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.17 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 1.54 0.13 5.53 -4.23 -1.26 -1.93 115.64 115.41 1rfa s THR 57 Ca 0.00 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 1rfa s THR 57 Cb 0.00 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1rfa s THR 57 CO 0.00 -0.21 0.27 -0.63 -0.54 0.00 0.00 174.62 173.51 1rfa s ILE 58 N -1.53 0.10 -0.01 2.99 1.09 -0.30 0.09 121.20 123.63 1rfa s ILE 58 Ca 0.07 -1.17 0.04 0.00 -1.10 0.00 0.00 60.65 58.48 1rfa s ILE 58 Cb -0.08 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.76 1rfa s ILE 58 CO 0.04 -0.45 -0.10 -0.13 -0.10 0.00 0.00 174.94 174.20 1rfa s ARG 59 N -3.90 2.49 -0.24 2.79 0.52 -1.16 -0.37 118.95 119.08 1rfa s ARG 59 Ca 0.10 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1rfa s ARG 59 Cb 0.04 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 33.10 1rfa s ARG 59 CO -0.06 0.60 -0.09 0.08 0.02 0.00 0.00 175.30 175.85 1rfa s VAL 60 N -0.91 2.61 0.04 3.52 1.01 0.10 0.34 120.40 127.11 1rfa s VAL 60 Ca 0.15 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1rfa s VAL 60 Cb -0.11 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1rfa s VAL 60 CO 0.05 0.18 0.30 -0.36 0.00 0.00 0.00 175.10 175.27 1rfa s PHE 61 N 1.27 3.57 0.53 5.22 0.40 0.12 -1.49 117.98 127.60 1rfa s PHE 61 Ca -0.01 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1rfa s PHE 61 Cb -0.17 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.38 1rfa s PHE 61 CO -0.06 0.58 0.76 -0.51 0.70 0.00 0.00 175.22 176.69 1rfa s LEU 62 N -1.91 3.35 0.00 -0.37 2.01 0.12 -0.86 118.68 121.02 1rfa s LEU 62 Ca 0.30 0.11 0.26 0.00 0.01 0.00 0.00 54.13 54.81 1rfa s LEU 62 Cb -0.13 -2.98 1.23 0.00 0.01 0.00 0.00 46.19 44.32 1rfa s LEU 62 CO 0.18 -1.04 1.83 -2.65 1.01 0.00 0.00 176.35 175.67 1rfa n PRO 63 N -2.31 1.36 -0.53 1.29 -0.02 -1.21 -0.69 135.00 132.90 1rfa n PRO 63 Ca 0.06 -0.54 0.07 0.00 -2.02 0.00 0.00 63.50 61.07 1rfa n PRO 63 Cb 0.59 -1.43 0.29 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.31 4.02 0.00 2.55 3.02 -1.26 -4.86 115.26 118.42 1rfa n ASN 64 Ca 0.19 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1rfa n ASN 64 Cb 0.22 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.76 0.00 -0.52 3.52 4.01 0.13 -4.97 118.16 121.10 1rfa n LYS 65 Ca 0.21 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1rfa n LYS 65 Cb 0.78 -2.82 0.00 0.00 -0.51 0.00 0.00 35.03 32.49 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1rfa n GLN 66 N -2.77 0.48 -3.62 1.97 1.13 -1.23 -4.65 117.38 108.69 1rfa n GLN 66 Ca 0.00 -0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 54.93 1rfa n GLN 66 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.55 1.43 -0.13 -1.09 3.03 -1.26 0.14 118.95 118.53 1rfa s ARG 67 Ca 0.01 -0.67 -0.34 0.00 2.03 0.00 0.00 55.73 56.76 1rfa s ARG 67 Cb -0.00 0.57 0.14 0.00 -1.03 0.00 0.00 34.95 34.63 1rfa s ARG 67 CO 0.01 -0.64 1.33 -0.08 -1.13 0.00 0.00 175.30 174.78 1rfa s THR 68 N -3.74 0.00 -0.01 4.99 -1.32 -0.55 -4.91 115.64 110.10 1rfa s THR 68 Ca 0.06 -0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 1rfa s THR 68 Cb -0.03 -1.58 -0.03 0.00 -1.51 0.00 0.00 72.50 69.36 1rfa s THR 68 CO -0.04 0.00 -0.16 0.54 -2.21 0.00 0.00 174.62 172.75 1rfa s VAL 69 N -2.24 2.93 0.18 5.08 0.11 -1.26 0.02 120.40 125.22 1rfa s VAL 69 Ca 0.13 -0.93 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1rfa s VAL 69 Cb 0.03 -2.18 -0.05 0.00 -1.53 0.00 0.00 36.38 32.65 1rfa s VAL 69 CO -0.04 0.48 -0.08 0.68 -3.33 0.00 0.00 175.10 172.80 1rfa s VAL 70 N -0.82 1.21 0.13 2.04 -7.23 0.51 -4.93 120.40 111.31 1rfa s VAL 70 Ca 0.13 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1rfa s VAL 70 Cb -0.11 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1rfa s VAL 70 CO 0.03 -0.61 -0.20 0.20 -0.31 0.00 0.00 175.10 174.21 1rfa s ASN 71 N -3.23 2.60 -0.41 4.85 0.01 -1.26 -1.15 114.94 116.35 1rfa s ASN 71 Ca 0.21 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.51 1rfa s ASN 71 Cb 0.03 -0.15 0.08 0.00 0.41 0.00 0.00 41.25 41.62 1rfa s ASN 71 CO 0.04 0.01 0.24 -0.69 -1.51 0.00 0.00 177.10 175.19 1rfa s VAL 72 N -1.56 4.07 -0.22 1.60 1.01 -0.81 -4.84 120.40 119.64 1rfa s VAL 72 Ca 0.11 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1rfa s VAL 72 Cb -0.08 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1rfa s VAL 72 CO 0.05 -0.50 0.20 -1.14 0.00 0.00 0.00 175.10 173.72 1rfa n ARG 73 N 4.87 5.06 0.00 2.72 0.00 -1.26 -4.96 116.66 123.09 1rfa n ARG 73 Ca -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1rfa n ARG 73 Cb 0.43 -0.76 0.00 0.00 0.00 0.00 0.00 32.46 32.13 1rfa n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rfa n ASN 74 N -1.15 0.00 -3.96 6.15 2.85 -1.26 -5.02 115.26 112.88 1rfa n ASN 74 Ca 0.01 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.06 1rfa n ASN 74 Cb 0.08 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.10 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rfa n GLY 75 N 0.00 3.98 0.07 8.20 0.00 -1.26 -4.54 105.19 111.64 1rfa n GLY 75 Ca 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1rfa n GLY 75 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1rfa h MET 76 N 6.38 0.00 0.00 1.61 2.86 -1.92 -3.46 114.93 120.40 1rfa h MET 76 Ca 0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1rfa h MET 76 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1rfa h MET 76 CO 1.76 0.86 0.00 0.45 1.06 0.00 0.00 176.91 181.04 1rfa n SER 77 N -4.60 -0.05 -0.13 1.22 2.88 -1.26 -0.17 113.62 111.52 1rfa n SER 77 Ca -0.12 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.15 1rfa n SER 77 Cb 0.45 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 1rfa n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rfa n LEU 78 N 0.00 2.03 0.37 2.46 7.99 -1.23 -3.52 117.00 125.10 1rfa n LEU 78 Ca 0.00 0.32 -0.17 0.00 -0.01 0.00 0.00 56.01 56.14 1rfa n LEU 78 Cb 0.00 -0.87 -0.09 0.00 -0.11 0.00 0.00 43.42 42.36 1rfa n LEU 78 CO 0.00 0.55 0.60 0.45 -1.51 0.00 0.00 177.39 177.48 1rfa h HIS 79 N -0.90 -0.85 0.00 -1.77 3.86 -1.26 0.50 115.15 114.73 1rfa h HIS 79 Ca -0.62 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 1rfa h HIS 79 Cb 1.58 0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.34 1rfa h HIS 79 CO -0.04 -0.51 0.00 -0.44 0.86 0.00 0.00 177.93 177.80 1rfa h ASP 80 N -0.98 0.00 1.53 2.45 5.19 -1.54 1.14 116.42 124.20 1rfa h ASP 80 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1rfa h ASP 80 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1rfa h ASP 80 CO 0.15 0.00 -0.39 0.00 -3.12 0.00 0.00 179.24 175.88 1rfa n LEU 82 N -2.82 2.45 -0.28 0.00 7.99 0.17 -3.88 117.00 120.63 1rfa n LEU 82 Ca 0.03 -0.00 0.29 0.00 -0.01 0.00 0.00 56.01 56.32 1rfa n LEU 82 Cb 0.52 -0.51 0.67 0.00 -0.11 0.00 0.00 43.42 43.99 1rfa n LEU 82 CO 0.36 0.63 1.27 -0.03 -1.51 0.00 0.00 177.39 178.12 1rfa h MET 83 N -0.17 0.12 0.41 3.23 4.05 0.12 0.88 114.93 123.58 1rfa h MET 83 Ca -0.36 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.04 1rfa h MET 83 Cb 1.47 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.23 1rfa h MET 83 CO -0.11 0.08 -0.41 -0.22 0.23 0.00 0.00 176.91 176.48 1rfa h LYS 84 N 0.13 -0.79 -0.58 0.39 1.63 -1.70 0.49 116.57 116.13 1rfa h LYS 84 Ca 0.53 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1rfa h LYS 84 Cb 1.85 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 33.63 1rfa h LYS 84 CO -0.09 -0.53 0.35 0.00 -3.45 0.00 0.00 179.45 175.73 1rfa h ALA 85 N -1.08 0.74 0.00 5.00 0.00 0.44 -2.03 119.26 122.34 1rfa h ALA 85 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rfa h ALA 85 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rfa h ALA 85 CO -0.05 0.23 -0.51 -0.07 0.00 0.00 0.00 179.25 178.85 1rfa h LEU 86 N 0.79 0.00 -0.29 0.00 3.38 -0.35 -2.70 115.31 116.14 1rfa h LEU 86 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1rfa h LEU 86 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1rfa h LEU 86 CO -0.04 0.02 0.18 0.50 0.09 0.00 0.00 178.44 179.19 1rfa h LYS 87 N 0.00 0.38 -0.62 1.13 3.11 0.66 1.23 116.57 122.47 1rfa h LYS 87 Ca 0.00 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.89 1rfa h LYS 87 Cb 0.94 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 32.05 1rfa h LYS 87 CO 0.00 0.28 0.41 0.28 -2.81 0.00 0.00 179.45 177.60 1rfa h VAL 88 N 0.38 0.95 0.05 2.00 2.07 -1.06 -2.67 116.25 117.96 1rfa h VAL 88 Ca 0.10 -0.18 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 1rfa h VAL 88 Cb -0.02 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1rfa h VAL 88 CO -0.02 0.09 -1.82 0.54 0.02 0.00 0.00 177.57 176.38 1rfa n ARG 89 N -4.48 0.68 0.00 1.57 5.12 -0.74 -4.96 116.66 113.86 1rfa n ARG 89 Ca 0.09 0.28 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1rfa n ARG 89 Cb 0.30 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 1.73 1.84 3.81 -0.13 0.00 0.37 -5.08 105.19 107.72 1rfa n GLY 90 Ca -0.23 0.00 -0.22 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 0.00 3.30 0.02 0.99 1.43 0.19 -5.00 118.68 119.61 1rfa s LEU 91 Ca 0.00 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1rfa s LEU 91 Cb 0.00 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1rfa s LEU 91 CO 0.00 -0.55 0.07 -1.10 0.23 0.00 0.00 176.35 174.99 1rfa s GLN 92 N -4.01 2.98 -0.10 1.70 -0.21 -1.26 -4.43 119.66 114.33 1rfa s GLN 92 Ca 0.44 -0.56 0.16 0.00 0.02 0.00 0.00 55.36 55.42 1rfa s GLN 92 Cb -0.01 -2.80 -0.24 0.00 1.00 0.00 0.00 33.01 30.97 1rfa s GLN 92 CO 0.25 0.62 0.21 -0.35 -2.12 0.00 0.00 175.29 173.91 1rfa n PRO 93 N 1.02 0.96 0.04 2.91 -0.04 -1.26 -4.22 135.00 134.41 1rfa n PRO 93 Ca -0.12 -0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1rfa n PRO 93 Cb 0.52 -1.42 0.50 0.00 -0.04 0.00 0.00 33.50 33.07 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 -2.37 0.09 -0.30 0.54 -0.58 -1.26 -0.96 120.64 115.80 1rfa n GLU 94 Ca -0.15 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 56.83 1rfa n GLU 94 Cb 0.76 -1.62 0.27 0.00 -0.57 0.00 0.00 31.44 30.28 1rfa n GLU 94 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rfa s ALA 97 N -3.24 1.50 0.11 0.00 0.00 -0.17 -4.43 121.76 115.52 1rfa s ALA 97 Ca 0.36 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1rfa s ALA 97 Cb 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1rfa s ALA 97 CO 0.16 0.32 0.22 0.54 0.00 0.00 0.00 175.76 176.99 1rfa s VAL 98 N -0.17 5.17 0.08 0.00 0.11 -1.26 0.81 120.40 125.14 1rfa s VAL 98 Ca 0.01 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.38 1rfa s VAL 98 Cb -0.09 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1rfa s VAL 98 CO 0.01 0.02 0.10 -0.36 -3.33 0.00 0.00 175.10 171.54 1rfa s PHE 99 N -1.62 0.36 0.21 1.54 0.40 0.14 -2.15 117.98 116.86 1rfa s PHE 99 Ca 0.34 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 1rfa s PHE 99 Cb -0.12 -0.22 -0.07 0.00 0.51 0.00 0.00 43.02 43.12 1rfa s PHE 99 CO 0.27 -0.49 0.55 1.03 0.70 0.00 0.00 175.22 177.28 1rfa s ARG 100 N -3.90 3.85 0.35 0.44 0.52 0.19 -0.94 118.95 119.45 1rfa s ARG 100 Ca 0.08 0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.57 1rfa s ARG 100 Cb 0.06 -2.71 0.08 0.00 0.52 0.00 0.00 34.95 32.91 1rfa s ARG 100 CO -0.09 0.35 0.47 1.28 0.02 0.00 0.00 175.30 177.33 1rfa n LEU 101 N 0.08 0.00 -4.34 2.53 4.32 -1.20 -0.40 117.00 117.99 1rfa n LEU 101 Ca -0.01 -0.51 -0.43 0.00 -0.02 0.00 0.00 56.01 55.04 1rfa n LEU 101 Cb 0.52 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1rfa n LEU 101 CO 0.44 -0.87 1.76 0.00 -1.22 0.00 0.00 177.39 177.50 1rfa n LEU 102 N 0.00 5.51 0.01 2.23 -0.00 -1.26 -4.35 117.00 119.14 1rfa n LEU 102 Ca 0.06 -4.32 0.11 0.00 -0.00 0.00 0.00 56.01 51.86 1rfa n LEU 102 Cb 0.21 -1.64 0.09 0.00 -0.00 0.00 0.00 43.42 42.08 1rfa n LEU 102 CO 0.15 0.71 0.19 1.41 -0.00 0.00 0.00 177.39 179.84 1rfa n HIS 103 N 6.14 0.09 -2.07 1.47 8.25 -1.26 -4.10 115.22 123.74 1rfa n HIS 103 Ca 0.42 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1rfa n HIS 103 Cb 0.42 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.65 0.00 -3.00 -0.41 4.71 -1.26 -5.10 120.64 113.93 1rfa n GLU 104 Ca 0.04 -1.06 -0.09 0.00 -0.01 0.00 0.00 57.16 56.04 1rfa n GLU 104 Cb 0.37 -0.37 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 1rfa n GLU 104 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1rfa n HIS 105 N 0.07 -0.71 -3.48 -0.32 -0.00 -1.26 -5.14 115.22 104.39 1rfa n HIS 105 Ca 0.00 -1.35 -0.04 0.00 -0.00 0.00 0.00 57.72 56.33 1rfa n HIS 105 Cb 0.75 0.23 -0.06 0.00 -0.00 0.00 0.00 29.99 30.91 1rfa n HIS 105 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1rfa s LYS 106 N -2.56 0.44 0.00 -0.41 2.20 -1.26 -4.77 119.74 113.38 1rfa s LYS 106 Ca 0.18 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1rfa s LYS 106 Cb 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1rfa s LYS 106 CO 0.13 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1rfa n GLY 107 N 5.41 0.58 3.51 5.54 0.00 -1.26 -5.01 105.19 113.96 1rfa n GLY 107 Ca -0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.13 0.71 0.04 1.61 1.02 -1.26 -5.15 119.74 115.58 1rfa s LYS 108 Ca 0.00 0.84 0.02 0.00 0.02 0.00 0.00 55.97 56.85 1rfa s LYS 108 Cb 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1rfa s LYS 108 CO 0.00 -0.08 0.05 0.15 -0.92 0.00 0.00 175.35 174.55 1rfa s LYS 109 N 0.32 2.87 -0.28 1.68 1.02 -1.26 -4.17 119.74 119.93 1rfa s LYS 109 Ca -0.00 -0.63 -0.22 0.00 0.02 0.00 0.00 55.97 55.14 1rfa s LYS 109 Cb -0.04 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1rfa s LYS 109 CO 0.01 0.60 0.70 0.00 -0.92 0.00 0.00 175.35 175.74 1rfa s ALA 110 N -1.26 3.58 0.16 5.17 0.00 0.46 -4.90 121.76 124.97 1rfa s ALA 110 Ca 0.25 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1rfa s ALA 110 Cb -0.12 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1rfa s ALA 110 CO 0.17 -0.98 0.54 0.50 0.00 0.00 0.00 175.76 175.98 1rfa s ARG 111 N 2.69 3.91 0.00 0.00 3.00 -1.26 0.53 118.95 127.82 1rfa s ARG 111 Ca 0.29 0.40 0.00 0.00 -1.00 0.00 0.00 55.73 55.42 1rfa s ARG 111 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 31.94 1rfa s ARG 111 CO 0.10 0.44 0.00 1.28 0.00 0.00 0.00 175.30 177.12 1rfa n LEU 112 N 0.55 0.00 -4.87 -0.88 4.77 -0.91 -4.89 117.00 110.77 1rfa n LEU 112 Ca -0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 1rfa n LEU 112 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1rfa n LEU 112 CO 0.43 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.87 1rfa s ASP 113 N -0.10 4.75 0.00 -1.43 2.15 -1.26 -4.78 116.67 116.00 1rfa s ASP 113 Ca 0.00 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.20 1rfa s ASP 113 Cb 0.00 -0.11 0.52 0.00 -0.30 0.00 0.00 42.92 43.03 1rfa s ASP 113 CO 0.00 -0.84 1.44 0.79 -0.17 0.00 0.00 175.17 176.39 1rfa n TRP 114 N -1.60 0.10 -2.45 -5.34 5.03 -1.26 -3.57 117.44 108.34 1rfa n TRP 114 Ca 0.01 -0.05 -0.12 0.00 3.03 0.00 0.00 57.50 60.37 1rfa n TRP 114 Cb 0.63 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.95 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 0.95 3.17 0.00 -0.99 5.15 -1.26 -1.04 115.26 121.24 1rfa n ASN 115 Ca 0.16 -2.87 0.13 0.00 -0.60 0.00 0.00 54.58 51.41 1rfa n ASN 115 Cb 0.51 -0.42 0.61 0.00 -0.53 0.00 0.00 39.78 39.95 1rfa n ASN 115 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1rfa n THR 116 N -0.63 0.11 -1.75 -0.44 5.66 -1.23 -4.74 114.28 111.24 1rfa n THR 116 Ca 0.25 0.03 -0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1rfa n THR 116 Cb 0.87 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 -1.46 -3.21 0.01 1.09 2.03 -1.26 -4.76 116.55 108.98 1rfa n ASP 117 Ca 0.08 0.24 0.07 0.00 0.52 0.00 0.00 54.79 55.70 1rfa n ASP 117 Cb 0.30 -1.88 0.32 0.00 -0.72 0.00 0.00 41.12 39.14 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 -0.04 1.66 1.02 -1.67 0.00 -1.23 0.23 120.51 120.49 1rfa n ALA 118 Ca 0.01 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1rfa n ALA 118 Cb 0.03 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.51 2.36 0.20 0.00 0.00 -1.26 -0.80 120.51 119.50 1rfa n ALA 119 Ca 0.03 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1rfa n ALA 119 Cb 0.17 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.49 0.28 -1.35 0.00 7.64 0.14 -3.65 113.62 115.19 1rfa n SER 120 Ca 0.07 -0.14 0.08 0.00 1.01 0.00 0.00 58.87 59.90 1rfa n SER 120 Cb 0.33 1.61 0.32 0.00 -1.01 0.00 0.00 64.21 65.46 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 -2.16 4.46 -4.74 -3.43 7.99 -0.78 -4.98 117.00 113.35 1rfa n LEU 121 Ca -0.02 -2.57 -0.42 0.00 -0.01 0.00 0.00 56.01 53.00 1rfa n LEU 121 Cb 0.52 -0.54 -0.02 0.00 -0.11 0.00 0.00 43.42 43.27 1rfa n LEU 121 CO 0.45 0.75 1.16 -0.51 -1.51 0.00 0.00 177.39 177.73 1rfa s ILE 122 N -2.06 2.50 0.00 -0.08 1.10 0.02 -2.42 121.20 120.27 1rfa s ILE 122 Ca 0.46 0.41 0.00 0.00 -0.51 0.00 0.00 60.65 61.01 1rfa s ILE 122 Cb 0.31 -3.26 0.00 0.00 0.15 0.00 0.00 42.46 39.66 1rfa s ILE 122 CO 0.19 0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.69 1rfa n GLY 123 N 2.50 0.87 0.14 1.50 0.00 0.11 -4.63 105.19 105.69 1rfa n GLY 123 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.62 0.25 -4.49 1.61 -0.58 -1.01 -5.02 120.64 110.77 1rfa n GLU 124 Ca 0.00 -0.14 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 1rfa n GLU 124 Cb 0.39 0.11 -0.12 0.00 -0.57 0.00 0.00 31.44 31.25 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 -2.06 2.04 0.10 3.49 2.02 -1.26 -3.00 118.70 120.04 1rfa s GLU 125 Ca 0.01 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.02 1rfa s GLU 125 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1rfa s GLU 125 CO 0.01 0.53 -0.08 -0.51 0.02 0.00 0.00 175.26 175.22 1rfa s LEU 126 N -1.73 2.46 0.05 1.80 1.02 0.15 -3.21 118.68 119.22 1rfa s LEU 126 Ca 0.17 -0.91 -0.00 0.00 0.02 0.00 0.00 54.13 53.40 1rfa s LEU 126 Cb -0.11 -0.19 -0.03 0.00 0.02 0.00 0.00 46.19 45.88 1rfa s LEU 126 CO 0.08 -0.37 -0.04 -1.58 0.02 0.00 0.00 176.35 174.47 1rfa s GLN 127 N -3.34 0.55 0.06 1.70 0.74 -0.12 0.14 119.66 119.40 1rfa s GLN 127 Ca 0.09 -1.05 0.10 0.00 0.05 0.00 0.00 55.36 54.55 1rfa s GLN 127 Cb 0.01 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1rfa s GLN 127 CO -0.02 -0.08 -0.26 0.08 -0.55 0.00 0.00 175.29 174.46 1rfa s VAL 128 N -3.13 2.15 0.00 1.34 1.01 -0.04 0.24 120.40 121.96 1rfa s VAL 128 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1rfa s VAL 128 Cb 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1rfa s VAL 128 CO -0.07 0.30 0.00 -0.67 0.00 0.00 0.00 175.10 174.67 1rfa n ASP 129 N 1.59 0.00 -4.47 3.32 -0.08 0.24 -3.32 116.55 113.84 1rfa n ASP 129 Ca -0.17 -0.04 -0.29 0.00 -1.51 0.00 0.00 54.79 52.78 1rfa n ASP 129 Cb 0.52 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.17 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 -1.35 1.71 0.11 -0.67 -0.12 -1.26 -1.00 117.98 115.39 1rfa s PHE 130 Ca 0.00 0.84 0.34 0.00 -0.05 0.00 0.00 56.93 58.06 1rfa s PHE 130 Cb 0.00 -3.33 1.44 0.00 -0.63 0.00 0.00 43.02 40.49 1rfa s PHE 130 CO 0.00 -3.15 2.00 1.37 -0.05 0.00 0.00 175.22 175.38 1rfa h LEU 131 N -2.07 0.00 0.00 -1.99 8.10 -1.75 -1.85 115.31 115.74 1rfa h LEU 131 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.47 1rfa h LEU 131 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.54 1rfa h LEU 131 CO 0.52 0.00 0.00 0.47 -4.11 0.00 0.00 178.44 175.32