#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7f s LYS 4 N 0.00 2.19 -0.17 1.20 1.02 -1.26 0.26 119.74 122.98 2i7f s LYS 4 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.01 2i7f s LYS 4 Cb 0.00 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 2i7f s LYS 4 CO 0.00 0.53 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.33 2i7f s LEU 5 N -1.96 2.67 0.05 3.17 1.43 0.25 -4.80 118.68 119.49 2i7f s LEU 5 Ca 0.20 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2i7f s LEU 5 Cb -0.11 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2i7f s LEU 5 CO 0.11 0.07 1.11 -0.13 0.23 0.00 0.00 176.35 177.75 2i7f s ARG 6 N 0.90 4.49 -0.27 1.70 0.52 -1.26 -2.23 118.95 122.81 2i7f s ARG 6 Ca -0.03 1.64 -0.10 0.00 -0.52 0.00 0.00 55.73 56.72 2i7f s ARG 6 Cb -0.15 -3.38 -0.14 0.00 0.52 0.00 0.00 34.95 31.80 2i7f s ARG 6 CO -0.00 -0.15 -0.27 1.28 0.02 0.00 0.00 175.30 176.18 2i7f n LEU 7 N 3.78 2.27 -3.61 2.53 4.77 0.12 -4.99 117.00 121.86 2i7f n LEU 7 Ca 0.07 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 2i7f n LEU 7 Cb 0.48 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2i7f n LEU 7 CO 0.54 0.67 1.07 0.00 -1.33 0.00 0.00 177.39 178.35 2i7f s GLN 9 N -2.31 4.56 0.23 0.00 -0.21 -1.26 -0.27 119.66 120.40 2i7f s GLN 9 Ca 0.11 1.83 -0.06 0.00 0.02 0.00 0.00 55.36 57.27 2i7f s GLN 9 Cb 0.01 -3.12 0.39 0.00 1.00 0.00 0.00 33.01 31.29 2i7f s GLN 9 CO -0.04 0.13 1.75 0.28 -2.12 0.00 0.00 175.29 175.29 2i7f h VAL 10 N 3.01 0.75 -0.50 1.09 2.07 -1.44 -1.85 116.25 119.37 2i7f h VAL 10 Ca -0.47 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.02 2i7f h VAL 10 Cb 1.21 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2i7f h VAL 10 CO 0.66 0.09 0.47 0.00 0.02 0.00 0.00 177.57 178.81 2i7f h ALA 11 N 1.48 2.28 0.00 1.67 0.00 -1.92 -1.99 119.26 120.78 2i7f h ALA 11 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2i7f h ALA 11 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2i7f h ALA 11 CO -0.33 -0.72 0.00 0.77 0.00 0.00 0.00 179.25 178.96 2i7f h SER 12 N 0.00 0.00 -3.25 0.00 0.02 -1.72 -3.43 113.55 105.18 2i7f h SER 12 Ca 0.24 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.45 2i7f h SER 12 Cb 1.17 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.43 2i7f h SER 12 CO -0.00 0.00 -0.35 -0.69 -1.14 0.00 0.00 176.83 174.64 2i7f s VAL 13 N -3.23 4.45 0.14 2.27 1.01 -0.75 -4.93 120.40 119.36 2i7f s VAL 13 Ca 0.07 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 2i7f s VAL 13 Cb 0.11 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2i7f s VAL 13 CO 0.51 -0.79 0.58 -0.54 0.00 0.00 0.00 175.10 174.87 2i7f s LYS 14 N 1.42 4.09 0.09 2.72 3.01 -1.26 -4.68 119.74 125.13 2i7f s LYS 14 Ca 0.05 0.62 -0.32 0.00 -1.01 0.00 0.00 55.97 55.31 2i7f s LYS 14 Cb -0.27 -3.01 -0.11 0.00 -1.01 0.00 0.00 37.83 33.43 2i7f s LYS 14 CO 0.00 0.51 1.80 -3.47 0.51 0.00 0.00 175.35 174.70 2i7f n ASP 15 N 1.05 3.75 0.00 2.83 -0.08 -1.26 -1.34 116.55 121.51 2i7f n ASP 15 Ca -0.06 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 2i7f n ASP 15 Cb 0.51 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.48 2i7f n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2i7f n GLY 16 N 4.11 0.30 2.50 0.27 0.00 -1.25 -4.99 105.19 106.13 2i7f n GLY 16 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2i7f n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i7f n GLU 17 N -2.00 0.81 -1.23 1.61 1.02 -0.45 -4.57 120.64 115.83 2i7f n GLU 17 Ca 0.00 -3.60 -0.33 0.00 -0.02 0.00 0.00 57.16 53.21 2i7f n GLU 17 Cb 0.00 -1.81 0.11 0.00 -0.02 0.00 0.00 31.44 29.72 2i7f n GLU 17 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2i7f s PRO 18 N -0.64 1.92 -0.15 3.49 0.04 -1.26 -4.12 135.00 134.28 2i7f s PRO 18 Ca 0.32 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2i7f s PRO 18 Cb 0.04 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.76 2i7f s PRO 18 CO -0.17 -1.95 -0.19 0.08 0.04 0.00 0.00 177.00 174.80 2i7f s VAL 19 N -2.40 2.28 -0.08 -0.36 1.01 0.22 -4.92 120.40 116.14 2i7f s VAL 19 Ca 0.69 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2i7f s VAL 19 Cb -0.24 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2i7f s VAL 19 CO 0.50 0.54 0.96 0.00 0.00 0.00 0.00 175.10 177.10 2i7f s ALA 20 N 0.86 3.35 -0.08 5.51 0.00 -1.26 -0.38 121.76 129.77 2i7f s ALA 20 Ca -0.05 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2i7f s ALA 20 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2i7f s ALA 20 CO -0.02 -0.49 -0.18 0.08 0.00 0.00 0.00 175.76 175.15 2i7f s VAL 21 N 1.71 1.55 -0.42 0.00 1.01 -0.59 -4.99 120.40 118.68 2i7f s VAL 21 Ca 0.47 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2i7f s VAL 21 Cb -0.19 -1.38 0.11 0.00 0.00 0.00 0.00 36.38 34.93 2i7f s VAL 21 CO 0.20 0.45 0.17 -0.31 0.00 0.00 0.00 175.10 175.60 2i7f s TYR 22 N 0.53 3.59 -0.14 5.22 1.51 -1.26 -1.81 117.35 124.98 2i7f s TYR 22 Ca -0.16 -2.83 -0.07 0.00 -1.01 0.00 0.00 57.07 53.00 2i7f s TYR 22 Cb -0.17 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 2i7f s TYR 22 CO 0.06 -0.91 0.09 -1.14 -1.11 0.00 0.00 175.55 172.54 2i7f s GLN 23 N 0.69 3.61 0.54 -0.62 -0.44 -1.26 -4.99 119.66 117.18 2i7f s GLN 23 Ca 0.12 -0.25 0.23 0.00 -2.50 0.00 0.00 55.36 52.95 2i7f s GLN 23 Cb -0.21 -3.15 1.50 0.00 -1.64 0.00 0.00 33.01 29.50 2i7f s GLN 23 CO -0.05 0.56 2.18 1.05 0.50 0.00 0.00 175.29 179.52 2i7f h GLU 24 N 5.73 0.00 0.00 1.67 4.11 -1.97 -1.74 114.58 122.38 2i7f h GLU 24 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2i7f h GLU 24 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2i7f h GLU 24 CO 0.63 0.03 0.00 1.63 0.07 0.00 0.00 179.01 181.37 2i7f n LYS 25 N -4.14 0.16 -4.37 1.06 5.02 -1.26 -4.95 118.16 109.67 2i7f n LYS 25 Ca -0.03 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 2i7f n LYS 25 Cb 0.11 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.31 2i7f n LYS 25 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2i7f s MET 26 N -3.11 1.40 0.80 1.97 -1.94 -0.65 -5.07 119.30 112.69 2i7f s MET 26 Ca 0.10 -1.63 -0.13 0.00 -1.71 0.00 0.00 55.69 52.32 2i7f s MET 26 Cb 0.13 -1.24 0.08 0.00 2.01 0.00 0.00 34.83 35.82 2i7f s MET 26 CO 0.51 0.20 1.19 -1.25 -0.01 0.00 0.00 175.02 175.66 2i7f s PRO 27 N -3.62 1.71 0.23 2.03 0.04 -1.26 -4.65 135.00 129.47 2i7f s PRO 27 Ca 0.24 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2i7f s PRO 27 Cb -0.01 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 2i7f s PRO 27 CO 0.08 -2.14 0.96 0.00 0.04 0.00 0.00 177.00 175.94 2i7f n ALA 28 N -3.30 -1.02 -2.42 8.56 0.00 -1.26 -4.76 120.51 116.30 2i7f n ALA 28 Ca 0.13 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.72 2i7f n ALA 28 Cb 0.51 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.90 2i7f n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2i7f s LEU 29 N 1.01 2.34 -0.09 0.00 1.43 -0.75 -1.07 118.68 121.55 2i7f s LEU 29 Ca 0.65 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2i7f s LEU 29 Cb -0.81 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2i7f s LEU 29 CO 0.57 0.15 -0.22 0.00 0.23 0.00 0.00 176.35 177.08 2i7f s ALA 30 N -1.19 1.98 -0.11 4.21 0.00 0.68 -1.54 121.76 125.78 2i7f s ALA 30 Ca 0.14 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2i7f s ALA 30 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2i7f s ALA 30 CO 0.06 0.28 -0.16 0.08 0.00 0.00 0.00 175.76 176.02 2i7f s VAL 31 N 0.31 2.83 0.12 0.00 1.01 0.49 -1.69 120.40 123.47 2i7f s VAL 31 Ca -0.15 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2i7f s VAL 31 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2i7f s VAL 31 CO 0.07 0.54 -0.18 -0.31 0.00 0.00 0.00 175.10 175.21 2i7f s TYR 32 N 0.24 1.69 -0.24 5.22 1.51 -0.13 -0.61 117.35 125.02 2i7f s TYR 32 Ca -0.10 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2i7f s TYR 32 Cb -0.16 -0.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.84 2i7f s TYR 32 CO 0.06 0.22 -0.13 1.21 -1.11 0.00 0.00 175.55 175.80 2i7f s ASN 33 N -2.19 4.07 -0.37 2.29 3.84 -1.26 -1.31 114.94 120.01 2i7f s ASN 33 Ca 0.09 -1.12 -0.08 0.00 0.21 0.00 0.00 52.86 51.96 2i7f s ASN 33 Cb -0.08 -1.55 0.05 0.00 -0.55 0.00 0.00 41.25 39.12 2i7f s ASN 33 CO 0.05 -0.13 0.17 -0.69 -2.79 0.00 0.00 177.10 173.70 2i7f s VAL 34 N 1.19 3.99 -1.46 -5.21 1.01 0.37 -3.80 120.40 116.48 2i7f s VAL 34 Ca -0.04 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 2i7f s VAL 34 Cb -0.18 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 32.97 2i7f s VAL 34 CO -0.07 -0.30 0.70 -0.67 0.00 0.00 0.00 175.10 174.76 2i7f n ASP 35 N 4.86 -4.07 0.00 3.32 2.03 -1.26 -1.66 116.55 119.76 2i7f n ASP 35 Ca -0.11 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2i7f n ASP 35 Cb 0.44 -3.32 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 2i7f n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i7f n GLY 36 N -1.38 0.66 3.43 0.27 0.00 -1.26 -5.07 105.19 101.83 2i7f n GLY 36 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2i7f n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i7f s GLU 37 N -0.71 1.67 -0.12 1.61 8.01 -0.67 -5.10 118.70 123.39 2i7f s GLU 37 Ca 0.00 -1.21 -0.05 0.00 0.01 0.00 0.00 54.97 53.71 2i7f s GLU 37 Cb 0.00 -2.02 -0.04 0.00 -4.31 0.00 0.00 34.13 27.76 2i7f s GLU 37 CO 0.00 0.48 0.08 0.08 0.01 0.00 0.00 175.26 175.91 2i7f s VAL 38 N -1.04 4.98 0.07 2.63 1.01 -1.26 -0.48 120.40 126.31 2i7f s VAL 38 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2i7f s VAL 38 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2i7f s VAL 38 CO 0.07 0.59 -0.10 -0.36 0.00 0.00 0.00 175.10 175.30 2i7f s PHE 39 N -0.74 0.91 -0.05 5.22 0.40 -0.43 -4.91 117.98 118.38 2i7f s PHE 39 Ca 0.12 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2i7f s PHE 39 Cb -0.12 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.91 2i7f s PHE 39 CO 0.03 -0.04 -0.05 0.08 0.70 0.00 0.00 175.22 175.94 2i7f s VAL 40 N -1.86 0.59 0.19 -0.44 1.01 -1.26 -0.96 120.40 117.68 2i7f s VAL 40 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2i7f s VAL 40 Cb -0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2i7f s VAL 40 CO 0.00 0.25 -0.12 0.42 0.00 0.00 0.00 175.10 175.65 2i7f s THR 41 N 1.11 1.52 0.44 3.92 -4.23 -0.68 -1.38 115.64 116.34 2i7f s THR 41 Ca -0.08 -2.15 -0.23 0.00 -1.18 0.00 0.00 61.69 58.05 2i7f s THR 41 Cb -0.14 -2.02 -0.11 0.00 1.34 0.00 0.00 72.50 71.57 2i7f s THR 41 CO -0.01 -0.61 0.84 0.47 -0.54 0.00 0.00 174.62 174.77 2i7f n ASP 42 N -0.34 0.43 0.00 3.99 8.00 -0.16 -0.23 116.55 128.25 2i7f n ASP 42 Ca -0.08 0.96 -0.13 0.00 0.71 0.00 0.00 54.79 56.24 2i7f n ASP 42 Cb 0.61 -1.27 -0.14 0.00 -0.02 0.00 0.00 41.12 40.30 2i7f n ASP 42 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2i7f h ASN 43 N 1.14 0.17 -2.70 -2.24 -0.00 -1.34 -3.40 115.58 107.22 2i7f h ASN 43 Ca -0.43 -0.34 -0.56 0.00 -0.00 0.00 0.00 56.30 54.96 2i7f h ASN 43 Cb 1.36 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.61 2i7f h ASN 43 CO 0.54 1.30 1.12 -0.22 -0.00 0.00 0.00 177.43 180.17 2i7f s LEU 44 N -6.51 4.01 0.32 0.34 2.96 -1.26 -0.16 118.68 118.38 2i7f s LEU 44 Ca -0.10 1.80 -0.26 0.00 -0.22 0.00 0.00 54.13 55.36 2i7f s LEU 44 Cb 0.08 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 43.09 2i7f s LEU 44 CO 0.81 -1.17 0.77 0.00 -1.32 0.00 0.00 176.35 175.44 2i7f n THR 46 N -0.21 0.11 -0.03 0.00 -2.24 -1.26 -3.72 114.28 106.92 2i7f n THR 46 Ca 0.12 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 2i7f n THR 46 Cb 0.33 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 2i7f n THR 46 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2i7f n HIS 47 N -1.64 0.64 -2.56 4.78 -0.00 -1.26 -4.90 115.22 110.27 2i7f n HIS 47 Ca 0.06 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2i7f n HIS 47 Cb 0.36 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 29.28 2i7f n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2i7f n GLY 48 N 1.56 2.05 3.23 1.57 0.00 -1.24 -5.07 105.19 107.29 2i7f n GLY 48 Ca -0.19 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 2i7f n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i7f n ASN 49 N -0.14 5.49 -4.02 1.61 3.02 -1.26 -4.14 115.26 115.81 2i7f n ASN 49 Ca 0.00 -3.10 -0.08 0.00 -0.03 0.00 0.00 54.58 51.37 2i7f n ASN 49 Cb 0.00 -1.45 -0.10 0.00 -0.61 0.00 0.00 39.78 37.62 2i7f n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i7f s ALA 50 N -0.23 0.26 -0.18 5.41 0.00 -1.26 -5.05 121.76 120.70 2i7f s ALA 50 Ca 0.37 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 2i7f s ALA 50 Cb -0.01 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2i7f s ALA 50 CO -0.00 -0.25 0.10 -1.64 0.00 0.00 0.00 175.76 173.96 2i7f s MET 51 N -2.51 4.02 0.46 0.00 -1.94 -1.26 -1.31 119.30 116.75 2i7f s MET 51 Ca -0.06 -0.27 0.15 0.00 -1.71 0.00 0.00 55.69 53.80 2i7f s MET 51 Cb -0.02 -3.30 1.06 0.00 2.01 0.00 0.00 34.83 34.58 2i7f s MET 51 CO -0.05 0.34 2.02 -0.07 -0.01 0.00 0.00 175.02 177.25 2i7f h LEU 52 N 6.51 0.00 -1.68 -0.03 3.38 -0.89 -1.59 115.31 121.02 2i7f h LEU 52 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2i7f h LEU 52 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2i7f h LEU 52 CO 0.72 0.15 0.00 0.71 0.09 0.00 0.00 178.44 180.11 2i7f h THR 53 N 0.00 0.00 -0.02 0.22 1.35 -1.92 0.17 112.91 112.72 2i7f h THR 53 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2i7f h THR 53 Cb 0.28 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2i7f h THR 53 CO 0.02 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.76 2i7f n ASP 54 N -2.79 1.09 -0.25 5.36 8.00 -0.60 -4.75 116.55 122.61 2i7f n ASP 54 Ca -0.00 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.12 2i7f n ASP 54 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2i7f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i7f n GLY 55 N 1.12 1.73 2.77 0.44 0.00 0.05 -4.55 105.19 106.75 2i7f n GLY 55 Ca 0.20 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 2i7f n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i7f s TYR 56 N 3.34 0.95 -0.10 1.61 2.02 -0.57 -4.94 117.35 119.66 2i7f s TYR 56 Ca 0.00 -0.57 -0.22 0.00 -0.37 0.00 0.00 57.07 55.91 2i7f s TYR 56 Cb 0.00 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 2i7f s TYR 56 CO 0.00 -0.48 0.65 -1.14 -1.57 0.00 0.00 175.55 173.01 2i7f s GLN 57 N 1.88 4.39 -0.52 -0.62 0.74 -1.26 -0.47 119.66 123.80 2i7f s GLN 57 Ca 0.02 0.77 0.04 0.00 0.05 0.00 0.00 55.36 56.24 2i7f s GLN 57 Cb -0.15 -3.46 0.16 0.00 1.10 0.00 0.00 33.01 30.66 2i7f s GLN 57 CO -0.07 0.03 0.36 0.34 -0.55 0.00 0.00 175.29 175.41 2i7f s ASP 58 N 0.82 3.30 1.37 6.67 2.15 0.79 -4.87 116.67 126.90 2i7f s ASP 58 Ca 0.34 -3.21 0.00 0.00 0.43 0.00 0.00 52.55 50.11 2i7f s ASP 58 Cb -0.17 -1.04 0.00 0.00 -0.30 0.00 0.00 42.92 41.41 2i7f s ASP 58 CO 0.15 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2i7f n GLY 59 N 2.75 2.78 0.36 2.66 0.00 -1.26 -2.17 105.19 110.32 2i7f n GLY 59 Ca 0.20 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2i7f n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i7f n THR 60 N 0.00 0.02 -3.90 2.61 -2.24 -1.26 -4.77 114.28 104.74 2i7f n THR 60 Ca 0.00 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2i7f n THR 60 Cb 0.00 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 2i7f n THR 60 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2i7f s ILE 61 N -1.98 5.16 -0.18 2.28 -1.09 -0.92 -0.09 121.20 124.38 2i7f s ILE 61 Ca 0.39 0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 2i7f s ILE 61 Cb 0.21 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2i7f s ILE 61 CO 0.33 0.50 -0.01 -0.51 -1.23 0.00 0.00 174.94 174.02 2i7f s ILE 62 N -0.05 3.95 -0.17 2.92 1.10 -0.45 -0.15 121.20 128.35 2i7f s ILE 62 Ca 0.08 -0.32 -0.09 0.00 -0.51 0.00 0.00 60.65 59.81 2i7f s ILE 62 Cb -0.12 -2.76 -0.05 0.00 0.15 0.00 0.00 42.46 39.68 2i7f s ILE 62 CO 0.00 0.46 0.15 -0.70 -2.11 0.00 0.00 174.94 172.74 2i7f s GLU 63 N 0.71 3.99 0.48 3.50 2.12 0.38 -1.38 118.70 128.51 2i7f s GLU 63 Ca -0.01 -0.17 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 2i7f s GLU 63 Cb -0.14 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.82 2i7f s GLU 63 CO 0.02 0.43 1.27 0.00 -0.54 0.00 0.00 175.26 176.44 2i7f h PRO 65 N 1.97 0.00 -6.46 0.00 0.13 -1.81 -3.41 132.00 122.42 2i7f h PRO 65 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 2i7f h PRO 65 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 2i7f h PRO 65 CO 0.60 0.00 -0.71 -0.06 -0.23 0.00 0.00 178.00 177.59 2i7f s PHE 66 N -3.54 2.82 0.00 1.56 0.08 -1.26 -4.88 117.98 112.77 2i7f s PHE 66 Ca -0.01 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2i7f s PHE 66 Cb 0.07 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 2i7f s PHE 66 CO 0.27 0.43 0.00 0.72 -0.10 0.00 0.00 175.22 176.53 2i7f n HIS 67 N 0.83 0.00 -0.82 0.36 8.25 -1.26 -2.95 115.22 119.63 2i7f n HIS 67 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2i7f n HIS 67 Cb 0.52 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2i7f n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i7f n GLY 68 N -2.00 0.58 3.76 -1.41 0.00 -1.26 -4.48 105.19 100.38 2i7f n GLY 68 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2i7f n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i7f s GLY 69 N -2.06 2.11 0.08 -0.02 0.00 -1.15 -4.70 107.32 101.58 2i7f s GLY 69 Ca 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 44.72 45.10 2i7f s GLY 69 CO 0.00 0.91 0.40 -1.35 0.00 0.00 0.00 173.10 173.06 2i7f s SER 70 N -2.62 -0.25 0.13 1.64 1.04 -1.09 -0.87 113.70 111.68 2i7f s SER 70 Ca 0.67 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.99 2i7f s SER 70 Cb -0.21 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2i7f s SER 70 CO 0.44 -0.75 -0.13 -0.36 0.98 0.00 0.00 173.24 173.42 2i7f s PHE 71 N -3.13 1.35 -0.37 5.02 0.08 -0.48 -0.51 117.98 119.94 2i7f s PHE 71 Ca -0.01 -0.61 -0.26 0.00 0.12 0.00 0.00 56.93 56.17 2i7f s PHE 71 Cb 0.01 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 2i7f s PHE 71 CO -0.07 0.13 0.92 0.34 -0.10 0.00 0.00 175.22 176.44 2i7f s ASP 72 N -2.66 6.67 0.24 1.36 -1.08 -0.04 -1.34 116.67 119.82 2i7f s ASP 72 Ca 0.11 0.57 -0.05 0.00 -0.52 0.00 0.00 52.55 52.66 2i7f s ASP 72 Cb -0.03 -2.46 0.36 0.00 -1.46 0.00 0.00 42.92 39.34 2i7f s ASP 72 CO 0.02 -0.85 1.83 0.40 0.52 0.00 0.00 175.17 177.09 2i7f h ILE 73 N 5.82 0.96 0.00 4.11 2.04 -0.84 0.22 117.51 129.82 2i7f h ILE 73 Ca -0.23 -0.29 -0.17 0.00 1.00 0.00 0.00 64.86 65.16 2i7f h ILE 73 Cb 1.08 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2i7f h ILE 73 CO 0.98 0.16 -0.83 0.00 0.00 0.00 0.00 178.15 178.45 2i7f h ALA 74 N 1.43 0.51 0.00 1.87 0.00 -1.93 -3.37 119.26 117.78 2i7f h ALA 74 Ca 0.38 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2i7f h ALA 74 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2i7f h ALA 74 CO -0.21 1.04 -1.46 0.25 0.00 0.00 0.00 179.25 178.86 2i7f n THR 75 N -3.39 0.17 0.00 0.00 -2.24 -1.10 -5.01 114.28 102.71 2i7f n THR 75 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2i7f n THR 75 Cb 0.84 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2i7f n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i7f n GLY 76 N 2.13 2.33 3.63 3.38 0.00 0.75 -4.92 105.19 112.48 2i7f n GLY 76 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 2i7f n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i7f n ALA 77 N -0.98 0.23 -2.56 4.61 0.00 -1.25 -1.33 120.51 119.24 2i7f n ALA 77 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2i7f n ALA 77 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 2i7f n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i7f s ALA 78 N -0.16 3.46 0.00 0.00 0.00 -1.26 -0.86 121.76 122.94 2i7f s ALA 78 Ca 0.70 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2i7f s ALA 78 Cb -0.74 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2i7f s ALA 78 CO 0.51 -0.71 0.00 1.63 0.00 0.00 0.00 175.76 177.19 2i7f n LYS 79 N 5.16 0.00 -2.58 0.00 4.76 0.33 -4.86 118.16 120.97 2i7f n LYS 79 Ca 0.10 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 2i7f n LYS 79 Cb 0.47 -0.02 -0.03 0.00 -1.84 0.00 0.00 35.03 33.61 2i7f n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i7f s ALA 80 N -3.33 3.27 0.40 7.82 0.00 -1.16 -4.89 121.76 123.86 2i7f s ALA 80 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.38 2i7f s ALA 80 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2i7f s ALA 80 CO 0.00 -0.33 1.07 0.34 0.00 0.00 0.00 175.76 176.85 2i7f n PHE 81 N 3.94 1.42 1.36 0.00 7.35 -1.26 -2.19 117.46 128.08 2i7f n PHE 81 Ca 0.07 0.56 0.09 0.00 -0.76 0.00 0.00 57.45 57.42 2i7f n PHE 81 Cb 0.49 -2.27 0.37 0.00 0.35 0.00 0.00 39.48 38.42 2i7f n PHE 81 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2i7f n PRO 82 N 0.21 1.58 -2.00 -7.13 -0.04 -1.26 -3.92 135.00 122.43 2i7f n PRO 82 Ca 0.09 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 62.25 2i7f n PRO 82 Cb 0.38 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2i7f n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i7f n GLN 84 N 5.12 1.35 -3.09 0.00 6.02 -1.26 -4.39 117.38 121.13 2i7f n GLN 84 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 2i7f n GLN 84 Cb 0.41 -0.70 -0.06 0.00 1.02 0.00 0.00 30.24 30.90 2i7f n GLN 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2i7f s ILE 85 N -1.41 4.98 0.48 5.09 1.01 -1.26 -4.72 121.20 125.37 2i7f s ILE 85 Ca 0.00 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 2i7f s ILE 85 Cb 0.00 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 2i7f s ILE 85 CO 0.00 0.05 1.27 -2.65 0.00 0.00 0.00 174.94 173.60 2i7f n PRO 86 N 5.51 1.75 -2.41 2.79 -0.02 -1.26 -4.65 135.00 136.70 2i7f n PRO 86 Ca -0.00 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 2i7f n PRO 86 Cb 0.49 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2i7f n PRO 86 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2i7f s ILE 87 N -1.26 3.39 0.15 4.25 1.10 -0.44 -4.96 121.20 123.42 2i7f s ILE 87 Ca 0.66 1.27 -0.31 0.00 -0.51 0.00 0.00 60.65 61.76 2i7f s ILE 87 Cb -0.47 -3.75 -0.08 0.00 0.15 0.00 0.00 42.46 38.31 2i7f s ILE 87 CO 0.54 0.20 1.32 -0.75 -2.11 0.00 0.00 174.94 174.14 2i7f s LYS 88 N -1.91 4.37 0.28 3.50 2.47 -1.26 -4.59 119.74 122.60 2i7f s LYS 88 Ca 0.51 2.02 0.08 0.00 -1.56 0.00 0.00 55.97 57.02 2i7f s LYS 88 Cb -0.30 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 2i7f s LYS 88 CO 0.39 -0.32 0.11 0.95 0.16 0.00 0.00 175.35 176.63 2i7f s THR 89 N 0.63 3.69 -0.02 3.43 -4.23 -1.26 -0.99 115.64 116.89 2i7f s THR 89 Ca 0.60 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 2i7f s THR 89 Cb -0.35 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2i7f s THR 89 CO 0.34 -0.32 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.71 2i7f s TYR 90 N -2.28 0.82 0.17 3.99 1.51 -0.48 -4.95 117.35 116.13 2i7f s TYR 90 Ca 0.34 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.89 2i7f s TYR 90 Cb -0.06 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.10 2i7f s TYR 90 CO 0.22 -0.09 1.45 -2.14 -1.11 0.00 0.00 175.55 173.89 2i7f s PRO 91 N 0.19 4.28 -0.11 -1.71 0.02 -1.26 -4.30 135.00 132.12 2i7f s PRO 91 Ca -0.03 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 2i7f s PRO 91 Cb -0.08 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2i7f s PRO 91 CO 0.00 -0.47 -0.04 0.08 -0.33 0.00 0.00 177.00 176.24 2i7f s VAL 92 N 0.80 3.89 0.07 3.83 1.01 -1.26 -4.23 120.40 124.51 2i7f s VAL 92 Ca 0.64 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.34 2i7f s VAL 92 Cb -0.40 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2i7f s VAL 92 CO 0.34 0.55 -0.26 -0.89 0.00 0.00 0.00 175.10 174.84 2i7f s THR 93 N -0.29 2.13 -0.25 3.92 2.01 -0.47 -5.01 115.64 117.68 2i7f s THR 93 Ca 0.05 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.45 2i7f s THR 93 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2i7f s THR 93 CO 0.02 0.25 0.13 -0.63 -0.69 0.00 0.00 174.62 173.70 2i7f s ILE 94 N -0.90 4.94 -0.28 1.82 1.01 -1.26 -0.68 121.20 125.85 2i7f s ILE 94 Ca 0.12 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2i7f s ILE 94 Cb -0.10 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.13 2i7f s ILE 94 CO 0.03 0.33 -0.03 -1.61 0.00 0.00 0.00 174.94 173.66 2i7f s GLU 95 N 1.38 1.66 -1.30 2.79 0.41 -0.49 -4.82 118.70 118.33 2i7f s GLU 95 Ca 0.06 -1.32 -0.01 0.00 -0.41 0.00 0.00 54.97 53.29 2i7f s GLU 95 Cb -0.15 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.45 2i7f s GLU 95 CO 0.06 -0.72 0.83 -3.47 -0.49 0.00 0.00 175.26 171.47 2i7f n ASP 96 N 4.52 -1.94 0.00 -0.19 2.03 -1.26 -1.11 116.55 118.60 2i7f n ASP 96 Ca -0.07 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2i7f n ASP 96 Cb 0.43 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.42 2i7f n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i7f n GLY 97 N -1.48 1.18 3.85 0.27 0.00 -1.26 -5.03 105.19 102.72 2i7f n GLY 97 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2i7f n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2i7f s TRP 98 N -3.53 3.57 -0.20 1.61 0.52 -0.27 -1.14 118.94 119.50 2i7f s TRP 98 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 56.10 56.36 2i7f s TRP 98 Cb 0.00 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 2i7f s TRP 98 CO 0.00 0.64 1.52 0.08 0.02 0.00 0.00 176.95 179.21 2i7f s VAL 99 N -0.75 3.84 0.18 4.03 1.01 0.62 -1.40 120.40 127.93 2i7f s VAL 99 Ca 0.14 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.18 2i7f s VAL 99 Cb -0.12 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2i7f s VAL 99 CO 0.04 -0.27 -0.19 0.00 0.00 0.00 0.00 175.10 174.67 2i7f s ILE 101 N -2.06 1.16 0.37 0.00 -4.36 -0.95 -1.37 121.20 113.99 2i7f s ILE 101 Ca 0.18 -2.05 -0.25 0.00 -0.26 0.00 0.00 60.65 58.27 2i7f s ILE 101 Cb -0.06 -2.30 -0.09 0.00 1.25 0.00 0.00 42.46 41.26 2i7f s ILE 101 CO 0.08 -0.37 1.03 -1.81 0.24 0.00 0.00 174.94 174.11 2i7f s ASP 102 N -3.31 6.96 0.04 4.36 1.01 -1.26 -0.59 116.67 123.88 2i7f s ASP 102 Ca 0.27 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 2i7f s ASP 102 Cb 0.05 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 2i7f s ASP 102 CO 0.08 -0.35 1.74 -1.58 0.21 0.00 0.00 175.17 175.28 2i7f s GLN 103 N -2.25 4.18 0.00 8.23 0.74 0.14 -4.76 119.66 125.93 2i7f s GLN 103 Ca 0.54 2.38 0.22 0.00 0.05 0.00 0.00 55.36 58.55 2i7f s GLN 103 Cb -0.22 -3.82 0.17 0.00 1.10 0.00 0.00 33.01 30.24 2i7f s GLN 103 CO 0.28 -0.82 1.19 -0.35 -0.55 0.00 0.00 175.29 175.05