#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7f n LYS 4 N 0.00 -0.27 -3.10 -3.83 5.02 -1.26 -4.23 118.16 110.48 2i7f n LYS 4 Ca 0.00 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2i7f n LYS 4 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 32.64 2i7f n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i7f s LEU 5 N -5.60 4.24 -0.30 -0.35 1.43 0.07 -4.89 118.68 113.28 2i7f s LEU 5 Ca 0.67 1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 2i7f s LEU 5 Cb -0.25 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.01 2i7f s LEU 5 CO 0.57 -0.18 0.82 -0.13 0.23 0.00 0.00 176.35 177.66 2i7f s ARG 6 N 1.28 3.99 -0.22 1.70 3.00 -1.26 -1.46 118.95 125.98 2i7f s ARG 6 Ca 0.33 0.65 -0.16 0.00 0.00 0.00 0.00 55.73 56.55 2i7f s ARG 6 Cb -0.17 -3.72 -0.10 0.00 0.00 0.00 0.00 34.95 30.96 2i7f s ARG 6 CO 0.14 -0.69 -0.24 1.28 0.00 0.00 0.00 175.30 175.79 2i7f n LEU 7 N 6.25 1.92 -3.54 2.53 4.77 0.38 -5.01 117.00 124.30 2i7f n LEU 7 Ca 0.05 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 2i7f n LEU 7 Cb 0.48 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2i7f n LEU 7 CO 0.51 0.13 0.72 0.00 -1.33 0.00 0.00 177.39 177.42 2i7f s GLN 9 N -2.14 3.39 0.36 0.00 -0.21 -1.26 -0.03 119.66 119.76 2i7f s GLN 9 Ca 0.01 2.13 0.11 0.00 0.02 0.00 0.00 55.36 57.63 2i7f s GLN 9 Cb -0.01 -2.36 0.88 0.00 1.00 0.00 0.00 33.01 32.53 2i7f s GLN 9 CO -0.03 -0.95 1.82 0.28 -2.12 0.00 0.00 175.29 174.29 2i7f h VAL 10 N 1.69 0.72 0.00 1.09 2.07 -0.78 -1.77 116.25 119.27 2i7f h VAL 10 Ca -0.50 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2i7f h VAL 10 Cb 1.28 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2i7f h VAL 10 CO 0.59 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 178.26 2i7f h ALA 11 N 1.62 1.24 0.00 1.67 0.00 -1.92 -1.46 119.26 120.41 2i7f h ALA 11 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2i7f h ALA 11 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2i7f h ALA 11 CO -0.26 0.03 0.00 0.77 0.00 0.00 0.00 179.25 179.79 2i7f h SER 12 N 0.00 0.00 -3.60 0.00 0.02 -1.69 -3.44 113.55 104.84 2i7f h SER 12 Ca -0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 2i7f h SER 12 Cb 0.12 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.41 2i7f h SER 12 CO 0.00 0.00 -0.53 -0.69 -1.14 0.00 0.00 176.83 174.47 2i7f s VAL 13 N -3.31 4.45 -0.07 2.27 1.01 -0.55 -4.90 120.40 119.29 2i7f s VAL 13 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2i7f s VAL 13 Cb 0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2i7f s VAL 13 CO 0.62 -0.22 0.11 -0.54 0.00 0.00 0.00 175.10 175.07 2i7f s LYS 14 N 1.53 3.29 -0.02 2.72 1.02 -1.26 -4.73 119.74 122.29 2i7f s LYS 14 Ca 0.01 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 2i7f s LYS 14 Cb -0.19 -3.04 -0.07 0.00 -0.52 0.00 0.00 37.83 34.01 2i7f s LYS 14 CO 0.06 0.72 1.72 0.34 -0.92 0.00 0.00 175.35 177.28 2i7f s ASP 15 N -1.30 6.61 0.00 2.83 -1.08 -1.26 -1.09 116.67 121.38 2i7f s ASP 15 Ca 0.18 2.36 0.00 0.00 -0.52 0.00 0.00 52.55 54.58 2i7f s ASP 15 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2i7f s ASP 15 CO 0.08 -0.95 0.00 0.61 0.52 0.00 0.00 175.17 175.43 2i7f n GLY 16 N 4.21 2.77 2.22 2.66 0.00 -1.26 -4.99 105.19 110.79 2i7f n GLY 16 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.95 0.91 -1.73 1.61 1.02 -0.25 -4.63 120.64 116.61 2i7f n GLU 17 Ca 0.00 -3.37 -0.38 0.00 -0.02 0.00 0.00 57.16 53.40 2i7f n GLU 17 Cb 0.00 -1.36 0.05 0.00 -0.02 0.00 0.00 31.44 30.12 2i7f n GLU 17 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2i7f n PRO 18 N 1.22 1.39 -3.89 3.49 -0.04 -1.26 -4.15 135.00 131.76 2i7f n PRO 18 Ca 0.22 0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 63.85 2i7f n PRO 18 Cb 0.53 -2.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 2i7f n PRO 18 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2i7f s VAL 19 N -1.34 4.48 -0.43 0.52 1.01 -0.10 -4.88 120.40 119.65 2i7f s VAL 19 Ca 0.77 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2i7f s VAL 19 Cb -0.40 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2i7f s VAL 19 CO 0.45 0.38 1.10 0.00 0.00 0.00 0.00 175.10 177.04 2i7f s ALA 20 N 1.13 3.25 -0.24 5.51 0.00 -1.26 -1.11 121.76 129.03 2i7f s ALA 20 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2i7f s ALA 20 Cb -0.14 -3.81 0.01 0.00 0.00 0.00 0.00 23.12 19.17 2i7f s ALA 20 CO 0.03 -2.03 -0.03 0.08 0.00 0.00 0.00 175.76 173.81 2i7f s VAL 21 N 4.18 3.25 -0.89 0.00 1.01 -0.63 -5.01 120.40 122.32 2i7f s VAL 21 Ca 0.46 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 2i7f s VAL 21 Cb -0.09 -2.58 0.23 0.00 0.00 0.00 0.00 36.38 33.95 2i7f s VAL 21 CO 0.27 0.28 0.84 -0.31 0.00 0.00 0.00 175.10 176.18 2i7f s TYR 22 N 1.42 3.87 0.06 5.22 1.51 -1.26 -1.27 117.35 126.90 2i7f s TYR 22 Ca 0.03 -2.14 -0.30 0.00 -1.01 0.00 0.00 57.07 53.65 2i7f s TYR 22 Cb -0.16 -3.83 -0.05 0.00 -0.11 0.00 0.00 41.96 37.82 2i7f s TYR 22 CO -0.03 -0.98 1.04 -1.14 -1.11 0.00 0.00 175.55 173.33 2i7f s GLN 23 N -0.13 4.57 0.32 -0.62 2.00 -1.26 -4.99 119.66 119.54 2i7f s GLN 23 Ca 0.21 1.55 0.09 0.00 -2.00 0.00 0.00 55.36 55.20 2i7f s GLN 23 Cb -0.10 -3.39 0.93 0.00 0.80 0.00 0.00 33.01 31.25 2i7f s GLN 23 CO -0.09 -0.02 1.64 0.93 -0.50 0.00 0.00 175.29 177.26 2i7f h GLU 24 N 6.28 0.23 -0.67 1.67 5.08 -1.97 -2.68 114.58 122.52 2i7f h GLU 24 Ca -0.42 -0.01 -0.45 0.00 -1.00 0.00 0.00 59.36 57.48 2i7f h GLU 24 Cb 1.22 -0.05 -0.42 0.00 0.50 0.00 0.00 28.75 29.99 2i7f h GLU 24 CO 0.75 0.15 -0.92 1.63 -1.00 0.00 0.00 179.01 179.63 2i7f n LYS 25 N -5.16 2.98 -4.25 2.33 5.02 -1.26 -5.04 118.16 112.78 2i7f n LYS 25 Ca 0.28 -3.96 -0.14 0.00 -2.02 0.00 0.00 58.31 52.47 2i7f n LYS 25 Cb 0.87 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.66 1.08 0.56 1.97 -1.94 -1.01 -5.04 119.30 111.26 2i7f s MET 26 Ca 0.43 -1.48 -0.20 0.00 -1.71 0.00 0.00 55.69 52.73 2i7f s MET 26 Cb 0.38 -0.56 -0.04 0.00 2.01 0.00 0.00 34.83 36.62 2i7f s MET 26 CO 0.01 0.03 1.24 -1.25 -0.01 0.00 0.00 175.02 175.04 2i7f s PRO 27 N -3.78 3.12 0.03 2.03 0.04 -1.26 -4.72 135.00 130.46 2i7f s PRO 27 Ca 0.18 1.94 -0.34 0.00 0.04 0.00 0.00 61.00 62.82 2i7f s PRO 27 Cb 0.03 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 2i7f s PRO 27 CO 0.01 -1.12 0.88 0.00 0.04 0.00 0.00 177.00 176.81 2i7f n ALA 28 N -1.28 -3.22 -2.60 8.56 0.00 -1.26 -4.74 120.51 115.97 2i7f n ALA 28 Ca 0.12 0.51 -0.29 0.00 0.00 0.00 0.00 53.44 53.79 2i7f n ALA 28 Cb 0.48 -1.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 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 0.44 3.09 -0.06 0.00 1.43 -0.40 -0.63 118.68 122.56 2i7f s LEU 29 Ca 0.77 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2i7f s LEU 29 Cb -1.09 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 2i7f s LEU 29 CO 0.51 0.14 -0.24 0.00 0.23 0.00 0.00 176.35 176.99 2i7f s ALA 30 N -1.42 2.07 -0.09 4.21 0.00 0.31 -1.60 121.76 125.23 2i7f s ALA 30 Ca 0.23 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2i7f s ALA 30 Cb -0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2i7f s ALA 30 CO 0.15 0.39 -0.22 0.08 0.00 0.00 0.00 175.76 176.16 2i7f s VAL 31 N -0.12 2.26 0.15 0.00 1.01 -0.27 -1.49 120.40 121.94 2i7f s VAL 31 Ca -0.04 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.04 2i7f s VAL 31 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2i7f s VAL 31 CO 0.04 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.24 2i7f s TYR 32 N 0.21 1.53 -0.17 5.22 1.51 -0.00 -0.93 117.35 124.72 2i7f s TYR 32 Ca -0.14 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 2i7f s TYR 32 Cb -0.17 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2i7f s TYR 32 CO 0.07 0.22 -0.19 1.21 -1.11 0.00 0.00 175.55 175.75 2i7f s ASN 33 N -2.81 3.03 -0.36 2.29 3.84 -1.26 -1.70 114.94 117.96 2i7f s ASN 33 Ca 0.15 -0.61 0.03 0.00 0.21 0.00 0.00 52.86 52.64 2i7f s ASN 33 Cb -0.03 -1.41 0.10 0.00 -0.55 0.00 0.00 41.25 39.37 2i7f s ASN 33 CO 0.04 -0.00 0.09 -0.69 -2.79 0.00 0.00 177.10 173.75 2i7f s VAL 34 N 1.28 2.12 -1.46 -5.21 1.01 0.96 -4.01 120.40 115.09 2i7f s VAL 34 Ca 0.04 -2.36 -0.09 0.00 0.00 0.00 0.00 61.98 59.57 2i7f s VAL 34 Cb -0.13 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.74 2i7f s VAL 34 CO -0.11 -0.64 0.85 0.47 0.00 0.00 0.00 175.10 175.66 2i7f n ASP 35 N 4.16 -3.26 0.00 3.32 8.00 -1.26 -1.58 116.55 125.93 2i7f n ASP 35 Ca 0.04 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2i7f n ASP 35 Cb 0.41 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 2i7f n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i7f n GLY 36 N -1.67 1.93 3.76 0.44 0.00 -1.26 -5.03 105.19 103.37 2i7f n GLY 36 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2i7f n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i7f s GLU 37 N -0.60 4.17 -0.17 1.61 2.12 -0.61 -5.05 118.70 120.16 2i7f s GLU 37 Ca 0.00 0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 2i7f s GLU 37 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2i7f s GLU 37 CO 0.00 0.35 0.14 0.08 -0.54 0.00 0.00 175.26 175.29 2i7f s VAL 38 N 0.04 5.44 0.09 3.70 1.01 -1.26 -0.03 120.40 129.40 2i7f s VAL 38 Ca 0.22 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2i7f s VAL 38 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2i7f s VAL 38 CO 0.09 0.51 -0.14 -0.36 0.00 0.00 0.00 175.10 175.20 2i7f s PHE 39 N -0.15 1.26 -0.08 5.22 0.08 -0.69 -4.82 117.98 118.81 2i7f s PHE 39 Ca 0.11 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2i7f s PHE 39 Cb -0.11 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 2i7f s PHE 39 CO 0.00 0.08 -0.10 0.08 -0.10 0.00 0.00 175.22 175.18 2i7f s VAL 40 N -1.68 1.07 0.41 -0.44 1.01 -1.26 -0.82 120.40 118.69 2i7f s VAL 40 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2i7f s VAL 40 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2i7f s VAL 40 CO 0.02 0.35 0.07 0.42 0.00 0.00 0.00 175.10 175.96 2i7f s THR 41 N 0.95 0.99 0.50 3.92 -4.23 -0.56 -0.97 115.64 116.24 2i7f s THR 41 Ca -0.09 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.21 2i7f s THR 41 Cb -0.15 -2.46 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 2i7f s THR 41 CO 0.00 0.00 1.14 -1.81 -0.54 0.00 0.00 174.62 173.41 2i7f s ASP 42 N -3.65 5.97 -0.06 3.99 1.01 -0.30 -0.53 116.67 123.10 2i7f s ASP 42 Ca 0.23 2.23 0.13 0.00 0.71 0.00 0.00 52.55 55.85 2i7f s ASP 42 Cb 0.04 -2.59 -0.23 0.00 1.01 0.00 0.00 42.92 41.15 2i7f s ASP 42 CO 0.12 -1.05 0.60 -3.20 0.21 0.00 0.00 175.17 171.86 2i7f n ASN 43 N -0.88 0.78 -4.67 0.27 5.15 0.20 -4.49 115.26 111.61 2i7f n ASN 43 Ca 0.09 0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 54.02 2i7f n ASN 43 Cb 0.50 0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 2i7f n ASN 43 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2i7f s LEU 44 N -6.03 4.27 0.44 1.20 2.96 -1.26 -0.25 118.68 120.01 2i7f s LEU 44 Ca -0.05 1.98 -0.25 0.00 -0.22 0.00 0.00 54.13 55.58 2i7f s LEU 44 Cb 0.08 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 2i7f s LEU 44 CO 0.83 -0.77 1.40 0.00 -1.32 0.00 0.00 176.35 176.49 2i7f n THR 46 N -0.12 0.08 0.04 0.00 -2.24 -1.26 -3.33 114.28 107.45 2i7f n THR 46 Ca 0.05 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 2i7f n THR 46 Cb 0.42 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.56 0.48 -3.74 4.78 -0.00 -1.26 -4.89 115.22 109.02 2i7f n HIS 47 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2i7f n HIS 47 Cb 0.34 -0.76 0.00 0.00 -0.00 0.00 0.00 29.99 29.57 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 1.26 0.64 2.97 1.57 0.00 -1.21 -5.06 105.19 105.36 2i7f n GLY 48 Ca -0.04 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.11 5.30 -4.11 1.61 3.02 -1.26 -4.00 115.26 115.71 2i7f n ASN 49 Ca 0.00 -3.14 -0.13 0.00 -0.03 0.00 0.00 54.58 51.28 2i7f n ASN 49 Cb 0.00 -1.46 -0.11 0.00 -0.61 0.00 0.00 39.78 37.60 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 0.05 0.79 -0.13 5.41 0.00 -1.26 -5.05 121.76 121.57 2i7f s ALA 50 Ca 0.39 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 2i7f s ALA 50 Cb 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2i7f s ALA 50 CO 0.02 -0.06 0.11 -1.64 0.00 0.00 0.00 175.76 174.19 2i7f s MET 51 N -2.28 3.48 0.33 0.00 -1.94 -1.26 -1.70 119.30 115.93 2i7f s MET 51 Ca -0.02 -0.20 0.14 0.00 -1.71 0.00 0.00 55.69 53.91 2i7f s MET 51 Cb -0.05 -3.15 0.56 0.00 2.01 0.00 0.00 34.83 34.19 2i7f s MET 51 CO -0.01 0.69 1.70 -0.07 -0.01 0.00 0.00 175.02 177.32 2i7f h LEU 52 N 5.29 0.00 -1.50 -0.03 3.38 -0.97 -2.40 115.31 119.08 2i7f h LEU 52 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2i7f h LEU 52 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2i7f h LEU 52 CO 0.60 0.48 0.00 0.71 0.09 0.00 0.00 178.44 180.32 2i7f h THR 53 N 0.00 0.00 -0.01 0.22 1.35 -1.90 0.38 112.91 112.96 2i7f h THR 53 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2i7f h THR 53 Cb 0.94 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2i7f h THR 53 CO 0.06 0.00 -0.24 0.47 -0.25 0.00 0.00 175.52 175.57 2i7f n ASP 54 N -2.51 0.86 -0.85 5.36 8.00 -0.90 -4.80 116.55 121.70 2i7f n ASP 54 Ca -0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2i7f n ASP 54 Cb 0.14 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.34 1.36 2.81 0.44 0.00 0.12 -4.63 105.19 106.63 2i7f n GLY 55 Ca 0.12 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 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 1.81 1.28 -0.07 1.61 1.51 -0.48 -4.92 117.35 118.09 2i7f s TYR 56 Ca 0.00 -0.86 -0.25 0.00 -1.01 0.00 0.00 57.07 54.95 2i7f s TYR 56 Cb 0.00 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 2i7f s TYR 56 CO 0.00 -0.57 0.78 -1.14 -1.11 0.00 0.00 175.55 173.51 2i7f s GLN 57 N 1.77 4.44 -0.47 -0.62 0.74 -1.26 -0.60 119.66 123.65 2i7f s GLN 57 Ca 0.01 1.01 0.03 0.00 0.05 0.00 0.00 55.36 56.45 2i7f s GLN 57 Cb -0.16 -3.47 0.14 0.00 1.10 0.00 0.00 33.01 30.62 2i7f s GLN 57 CO -0.07 -0.02 0.27 0.34 -0.55 0.00 0.00 175.29 175.26 2i7f s ASP 58 N 0.90 3.66 1.88 6.67 -1.08 0.33 -4.80 116.67 124.23 2i7f s ASP 58 Ca 0.41 -2.82 0.00 0.00 -0.52 0.00 0.00 52.55 49.62 2i7f s ASP 58 Cb -0.18 -1.11 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 2i7f s ASP 58 CO 0.19 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.25 2i7f n GLY 59 N 3.29 3.18 0.01 2.66 0.00 -1.26 -1.57 105.19 111.51 2i7f n GLY 59 Ca 0.11 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -4.18 2.61 -2.24 -1.26 -4.80 114.28 104.40 2i7f n THR 60 Ca 0.00 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 2i7f n THR 60 Cb 0.00 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.66 4.64 -0.23 2.28 -1.09 -0.61 -1.14 121.20 122.40 2i7f s ILE 61 Ca 0.25 -0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.53 2i7f s ILE 61 Cb 0.20 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2i7f s ILE 61 CO 0.48 0.56 -0.05 -0.51 -1.23 0.00 0.00 174.94 174.20 2i7f s ILE 62 N -0.48 3.23 -0.11 2.92 1.10 -0.24 -0.51 121.20 127.11 2i7f s ILE 62 Ca 0.10 -0.66 -0.20 0.00 -0.51 0.00 0.00 60.65 59.37 2i7f s ILE 62 Cb -0.12 -2.52 -0.04 0.00 0.15 0.00 0.00 42.46 39.93 2i7f s ILE 62 CO 0.02 0.35 0.57 -0.70 -2.11 0.00 0.00 174.94 173.07 2i7f s GLU 63 N 1.44 4.36 0.40 3.50 2.12 0.23 -1.21 118.70 129.54 2i7f s GLU 63 Ca 0.04 0.62 -0.27 0.00 0.36 0.00 0.00 54.97 55.72 2i7f s GLU 63 Cb -0.15 -3.45 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 2i7f s GLU 63 CO -0.04 0.08 1.48 0.00 -0.54 0.00 0.00 175.26 176.25 2i7f n PRO 65 N 0.25 0.06 -4.18 0.00 -0.04 -1.26 -4.33 135.00 125.50 2i7f n PRO 65 Ca 0.02 0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 63.67 2i7f n PRO 65 Cb 0.40 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 2i7f n PRO 65 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2i7f s PHE 66 N -3.17 2.91 0.00 0.54 0.08 -1.26 -4.85 117.98 112.23 2i7f s PHE 66 Ca 0.02 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.96 2i7f s PHE 66 Cb 0.05 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2i7f s PHE 66 CO 0.18 0.52 0.00 0.72 -0.10 0.00 0.00 175.22 176.54 2i7f n HIS 67 N -0.19 0.00 -1.15 0.36 8.25 -1.26 -2.97 115.22 118.27 2i7f n HIS 67 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 2i7f n HIS 67 Cb 0.55 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 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 0.73 3.81 -1.41 0.00 -1.26 -4.49 105.19 100.57 2i7f n GLY 68 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.55 1.87 0.14 -0.02 0.00 -1.16 -4.64 107.32 100.96 2i7f s GLY 69 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 2i7f s GLY 69 CO 0.00 0.52 0.32 -1.35 0.00 0.00 0.00 173.10 172.59 2i7f s SER 70 N -3.36 -0.03 0.08 1.64 1.04 -1.06 -0.29 113.70 111.71 2i7f s SER 70 Ca 0.60 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 56.42 2i7f s SER 70 Cb -0.15 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2i7f s SER 70 CO 0.47 -0.87 -0.13 -0.36 0.98 0.00 0.00 173.24 173.32 2i7f s PHE 71 N -3.90 1.15 -0.06 5.02 0.08 -0.35 -0.56 117.98 119.36 2i7f s PHE 71 Ca 0.10 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2i7f s PHE 71 Cb 0.03 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.80 2i7f s PHE 71 CO -0.05 0.04 1.23 0.34 -0.10 0.00 0.00 175.22 176.68 2i7f s ASP 72 N -1.87 7.02 0.16 1.36 -1.08 0.46 -1.08 116.67 121.64 2i7f s ASP 72 Ca -0.01 1.83 -0.11 0.00 -0.52 0.00 0.00 52.55 53.74 2i7f s ASP 72 Cb -0.09 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2i7f s ASP 72 CO 0.02 -0.62 1.60 0.40 0.52 0.00 0.00 175.17 177.09 2i7f h ILE 73 N 5.06 1.27 -0.02 4.11 2.04 -1.46 0.76 117.51 129.27 2i7f h ILE 73 Ca -0.34 -1.18 -0.25 0.00 1.00 0.00 0.00 64.86 64.09 2i7f h ILE 73 Cb 1.16 0.94 0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2i7f h ILE 73 CO 0.89 0.42 -0.98 0.00 0.00 0.00 0.00 178.15 178.48 2i7f h ALA 74 N 0.94 0.15 0.00 1.87 0.00 -1.93 -3.35 119.26 116.93 2i7f h ALA 74 Ca 0.15 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 2i7f h ALA 74 Cb 0.60 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2i7f h ALA 74 CO 0.04 0.66 -2.14 0.25 0.00 0.00 0.00 179.25 178.06 2i7f n THR 75 N -3.89 0.63 -0.62 0.00 -2.24 -1.24 -5.00 114.28 101.93 2i7f n THR 75 Ca -0.11 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2i7f n THR 75 Cb 0.85 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.54 1.46 3.73 3.38 0.00 0.26 -4.82 105.19 110.75 2i7f n GLY 76 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 0.39 1.72 -1.83 4.61 0.00 -1.23 -1.27 120.51 122.89 2i7f n ALA 77 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2i7f n ALA 77 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.12 3.55 0.00 0.00 0.00 -1.26 -0.40 121.76 122.53 2i7f s ALA 78 Ca 0.55 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2i7f s ALA 78 Cb -0.52 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2i7f s ALA 78 CO 0.62 -0.69 0.00 1.63 0.00 0.00 0.00 175.76 177.32 2i7f n LYS 79 N 1.53 0.00 -2.10 0.00 4.76 0.28 -4.80 118.16 117.83 2i7f n LYS 79 Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 2i7f n LYS 79 Cb 0.41 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.58 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 -2.78 3.53 0.69 7.82 0.00 -1.23 -4.86 121.76 124.93 2i7f s ALA 80 Ca 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.07 2i7f s ALA 80 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2i7f s ALA 80 CO 0.00 -0.66 1.20 -0.06 0.00 0.00 0.00 175.76 176.24 2i7f s PHE 81 N -0.75 2.19 -2.03 0.00 0.08 -1.26 -2.23 117.98 113.97 2i7f s PHE 81 Ca 0.52 1.57 0.09 0.00 0.12 0.00 0.00 56.93 59.24 2i7f s PHE 81 Cb -0.40 -3.45 0.48 0.00 -0.57 0.00 0.00 43.02 39.08 2i7f s PHE 81 CO 0.49 -2.44 1.32 -0.35 -0.10 0.00 0.00 175.22 174.15 2i7f n PRO 82 N -2.43 1.17 -2.10 0.24 -0.04 -1.26 -3.44 135.00 127.14 2i7f n PRO 82 Ca 0.13 -0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 2i7f n PRO 82 Cb 0.50 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.55 0.00 -2.62 0.00 6.02 -1.26 -4.68 117.38 115.38 2i7f n GLN 84 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 2i7f n GLN 84 Cb 0.42 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.57 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 -1.97 4.56 0.42 5.09 1.01 -1.26 -4.49 121.20 124.56 2i7f s ILE 85 Ca 0.00 1.87 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 2i7f s ILE 85 Cb 0.00 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 2i7f s ILE 85 CO 0.00 0.16 1.28 -2.16 0.00 0.00 0.00 174.94 174.23 2i7f s PRO 86 N 0.88 3.88 0.38 2.79 0.04 -1.26 -4.64 135.00 137.07 2i7f s PRO 86 Ca 0.53 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 2i7f s PRO 86 Cb -0.24 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 2i7f s PRO 86 CO 0.29 -0.55 1.01 0.96 0.04 0.00 0.00 177.00 178.75 2i7f s ILE 87 N -1.31 3.92 0.29 0.56 -4.36 -0.40 -4.96 121.20 114.95 2i7f s ILE 87 Ca 0.59 1.47 -0.29 0.00 -0.26 0.00 0.00 60.65 62.16 2i7f s ILE 87 Cb -0.37 -3.76 -0.10 0.00 1.25 0.00 0.00 42.46 39.48 2i7f s ILE 87 CO 0.46 0.01 1.32 -0.75 0.24 0.00 0.00 174.94 176.23 2i7f s LYS 88 N -2.45 4.36 0.19 0.37 2.20 -1.26 -4.48 119.74 118.67 2i7f s LYS 88 Ca 0.56 2.18 0.10 0.00 -0.36 0.00 0.00 55.97 58.46 2i7f s LYS 88 Cb -0.20 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2i7f s LYS 88 CO 0.25 -0.22 -0.16 0.95 -0.36 0.00 0.00 175.35 175.81 2i7f s THR 89 N -0.73 2.81 -0.05 3.43 -4.23 -1.26 -1.15 115.64 114.46 2i7f s THR 89 Ca 0.52 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2i7f s THR 89 Cb -0.39 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2i7f s THR 89 CO 0.48 -0.11 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.06 2i7f s TYR 90 N -1.69 1.02 0.23 3.99 1.51 -0.14 -4.97 117.35 117.29 2i7f s TYR 90 Ca 0.23 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.65 2i7f s TYR 90 Cb -0.08 -0.80 -0.12 0.00 -0.11 0.00 0.00 41.96 40.85 2i7f s TYR 90 CO 0.13 -0.21 1.70 -1.25 -1.11 0.00 0.00 175.55 174.81 2i7f s PRO 91 N 0.72 4.12 -0.10 -1.71 0.04 -1.26 -4.08 135.00 132.73 2i7f s PRO 91 Ca -0.12 2.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 2i7f s PRO 91 Cb -0.14 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2i7f s PRO 91 CO 0.02 -0.73 0.39 0.08 0.04 0.00 0.00 177.00 176.79 2i7f s VAL 92 N 0.89 5.19 -0.04 -0.36 1.01 -1.26 -4.35 120.40 121.48 2i7f s VAL 92 Ca 0.72 0.77 0.04 0.00 0.00 0.00 0.00 61.98 63.51 2i7f s VAL 92 Cb -0.50 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2i7f s VAL 92 CO 0.36 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.85 2i7f s THR 93 N 0.02 2.98 -0.11 3.92 2.01 -0.37 -5.01 115.64 119.07 2i7f s THR 93 Ca 0.22 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2i7f s THR 93 Cb -0.15 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 2i7f s THR 93 CO 0.09 0.56 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.75 2i7f s ILE 94 N -0.75 2.45 -0.07 1.82 1.01 -1.26 -0.23 121.20 124.17 2i7f s ILE 94 Ca 0.12 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2i7f s ILE 94 Cb -0.11 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.41 2i7f s ILE 94 CO 0.01 0.55 -0.03 -1.61 0.00 0.00 0.00 174.94 173.86 2i7f s GLU 95 N 0.37 0.84 -1.23 2.79 2.02 -0.62 -4.85 118.70 118.02 2i7f s GLU 95 Ca -0.15 -0.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 2i7f s GLU 95 Cb -0.17 -1.03 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2i7f s GLU 95 CO 0.07 -0.22 0.13 -3.47 0.02 0.00 0.00 175.26 171.79 2i7f n ASP 96 N 4.75 -0.16 0.00 -0.19 2.03 -1.26 -0.75 116.55 120.97 2i7f n ASP 96 Ca -0.14 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.10 2i7f n ASP 96 Cb 0.50 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 -2.23 0.75 3.56 0.27 0.00 -1.26 -5.04 105.19 101.24 2i7f n GLY 97 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.85 3.02 -0.22 1.61 0.52 0.07 -0.04 118.94 121.06 2i7f s TRP 98 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 56.10 55.71 2i7f s TRP 98 Cb 0.00 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 2i7f s TRP 98 CO 0.00 0.16 1.15 0.08 0.02 0.00 0.00 176.95 178.36 2i7f s VAL 99 N -0.20 4.46 0.11 4.03 1.01 0.95 -1.58 120.40 129.17 2i7f s VAL 99 Ca 0.04 1.75 0.09 0.00 0.00 0.00 0.00 61.98 63.85 2i7f s VAL 99 Cb -0.13 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2i7f s VAL 99 CO 0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 175.10 174.68 2i7f s ILE 101 N -1.14 1.04 0.26 0.00 -4.36 -0.54 -1.24 121.20 115.22 2i7f s ILE 101 Ca 0.08 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.15 2i7f s ILE 101 Cb -0.10 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.98 2i7f s ILE 101 CO 0.05 -0.17 1.11 -1.81 0.24 0.00 0.00 174.94 174.36 2i7f s ASP 102 N -3.37 7.25 -0.05 4.36 1.01 -1.26 -0.75 116.67 123.86 2i7f s ASP 102 Ca 0.33 2.24 -0.37 0.00 0.71 0.00 0.00 52.55 55.46 2i7f s ASP 102 Cb 0.07 -2.62 -0.15 0.00 1.01 0.00 0.00 42.92 41.22 2i7f s ASP 102 CO 0.12 -0.18 1.57 1.67 0.21 0.00 0.00 175.17 178.57 2i7f n GLN 103 N 1.49 1.39 0.00 8.23 -0.06 -1.26 -4.74 117.38 122.43 2i7f n GLN 103 Ca -0.00 0.51 0.02 0.00 -2.00 0.00 0.00 57.00 55.53 2i7f n GLN 103 Cb 0.45 -2.20 0.13 0.00 -4.06 0.00 0.00 30.24 24.56 2i7f n GLN 103 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51