#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxr n LEU 10 N 0.00 0.11 -4.43 -1.84 4.77 -1.26 -4.87 117.00 109.48 1hxr n LEU 10 Ca 0.00 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 1hxr n LEU 10 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1hxr n LEU 10 CO 0.00 0.03 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.99 1hxr s VAL 11 N -2.23 3.41 0.91 4.08 1.01 -1.26 -0.32 120.40 126.00 1hxr s VAL 11 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1hxr s VAL 11 Cb 0.05 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 34.12 1hxr s VAL 11 CO 0.30 0.52 1.23 -0.94 0.00 0.00 0.00 175.10 176.21 1hxr s SER 12 N 0.28 3.60 0.35 3.32 1.04 0.17 -4.86 113.70 117.60 1hxr s SER 12 Ca -0.07 0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.97 1hxr s SER 12 Cb -0.15 -0.87 0.66 0.00 0.10 0.00 0.00 66.02 65.76 1hxr s SER 12 CO 0.04 -2.46 1.97 0.00 0.98 0.00 0.00 173.24 173.78 1hxr h ALA 13 N -1.44 1.61 -0.11 5.32 0.00 -2.00 0.29 119.26 122.92 1hxr h ALA 13 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hxr h ALA 13 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hxr h ALA 13 CO 0.52 0.31 0.00 -0.85 0.00 0.00 0.00 179.25 179.23 1hxr n GLU 14 N -4.46 1.27 -1.39 0.00 -0.00 -1.26 -4.88 120.64 109.92 1hxr n GLU 14 Ca 0.09 -0.42 -0.05 0.00 -0.00 0.00 0.00 57.16 56.79 1hxr n GLU 14 Cb 0.14 -1.15 -0.01 0.00 -0.00 0.00 0.00 31.44 30.42 1hxr n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hxr n GLY 15 N 0.74 0.58 3.83 -1.84 0.00 0.09 -5.00 105.19 103.59 1hxr n GLY 15 Ca 0.07 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1hxr n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hxr s ARG 16 N -2.88 2.48 -0.13 1.61 1.04 -1.26 -0.94 118.95 118.88 1hxr s ARG 16 Ca 0.00 -1.56 -0.29 0.00 -1.04 0.00 0.00 55.73 52.84 1hxr s ARG 16 Cb 0.00 -2.29 -0.03 0.00 -2.04 0.00 0.00 34.95 30.59 1hxr s ARG 16 CO 0.00 -0.10 1.44 0.54 -0.04 0.00 0.00 175.30 177.14 1hxr s ASN 17 N -4.04 6.80 0.23 -2.89 4.22 -0.84 0.46 114.94 118.89 1hxr s ASN 17 Ca 0.45 1.90 0.01 0.00 -2.14 0.00 0.00 52.86 53.07 1hxr s ASN 17 Cb -0.02 -2.54 0.25 0.00 1.28 0.00 0.00 41.25 40.22 1hxr s ASN 17 CO 0.26 -0.86 1.59 0.03 -2.04 0.00 0.00 177.10 176.09 1hxr h ARG 18 N 8.87 0.44 -6.09 3.55 3.08 -1.00 0.68 114.38 123.90 1hxr h ARG 18 Ca -0.32 -0.24 -0.57 0.00 0.07 0.00 0.00 59.98 58.91 1hxr h ARG 18 Cb 1.14 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.10 1hxr h ARG 18 CO 0.97 0.82 -0.63 0.15 -1.07 0.00 0.00 179.97 180.21 1hxr s LYS 19 N -4.09 2.13 0.48 0.04 1.02 -1.26 -4.64 119.74 113.43 1hxr s LYS 19 Ca -0.06 -1.64 -0.22 0.00 0.02 0.00 0.00 55.97 54.07 1hxr s LYS 19 Cb 0.12 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 1hxr s LYS 19 CO 0.81 0.21 1.14 0.00 -0.92 0.00 0.00 175.35 176.59 1hxr s ALA 20 N -2.46 2.89 -0.20 5.17 0.00 -1.26 -4.31 121.76 121.59 1hxr s ALA 20 Ca 0.34 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1hxr s ALA 20 Cb -0.02 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1hxr s ALA 20 CO 0.19 -0.64 0.03 0.08 0.00 0.00 0.00 175.76 175.42 1hxr s VAL 21 N -1.65 4.21 0.29 0.00 1.01 -0.26 -1.28 120.40 122.71 1hxr s VAL 21 Ca 0.66 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1hxr s VAL 21 Cb -0.26 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1hxr s VAL 21 CO 0.31 0.42 -0.06 -0.76 0.00 0.00 0.00 175.10 175.00 1hxr s LEU 22 N 0.94 2.50 0.06 3.92 1.43 0.65 -0.15 118.68 128.04 1hxr s LEU 22 Ca 0.02 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.63 1hxr s LEU 22 Cb -0.14 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1hxr s LEU 22 CO 0.02 -0.33 1.13 0.00 0.23 0.00 0.00 176.35 177.40 1hxr h GLN 24 N 6.54 0.39 0.01 0.00 4.20 -1.87 0.74 115.11 125.12 1hxr h GLN 24 Ca -0.42 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 1hxr h GLN 24 Cb 1.22 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.95 1hxr h GLN 24 CO 0.78 0.46 -0.39 0.00 -0.67 0.00 0.00 178.83 179.01 1hxr h ARG 25 N 0.38 0.25 0.00 1.46 2.47 -1.93 -3.41 114.38 113.60 1hxr h ARG 25 Ca 0.08 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1hxr h ARG 25 Cb 0.33 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1hxr h ARG 25 CO 0.01 1.00 0.00 0.00 0.56 0.00 0.00 179.97 181.55 1hxr n GLY 27 N 0.75 0.51 3.67 0.00 0.00 0.25 -4.97 105.19 105.41 1hxr n GLY 27 Ca 0.00 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 1hxr n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hxr n SER 28 N 0.26 2.95 -4.60 1.61 2.88 -1.26 -4.45 113.62 111.01 1hxr n SER 28 Ca 0.00 1.10 -0.43 0.00 -1.33 0.00 0.00 58.87 58.21 1hxr n SER 28 Cb 0.00 -1.42 -0.02 0.00 -0.75 0.00 0.00 64.21 62.01 1hxr n SER 28 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1hxr s ARG 29 N 0.47 3.53 -0.19 -1.46 6.06 -1.26 -1.25 118.95 124.85 1hxr s ARG 29 Ca 0.75 1.18 -0.13 0.00 -2.50 0.00 0.00 55.73 55.03 1hxr s ARG 29 Cb -0.68 -4.08 -0.20 0.00 0.06 0.00 0.00 34.95 30.05 1hxr s ARG 29 CO 0.42 -1.62 0.15 0.28 -2.50 0.00 0.00 175.30 172.03 1hxr n VAL 30 N 7.10 1.62 -3.93 7.11 0.31 0.79 -2.13 118.33 129.20 1hxr n VAL 30 Ca 0.19 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1hxr n VAL 30 Cb 0.47 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 31.43 1hxr n VAL 30 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1hxr s LEU 31 N -7.41 2.02 0.41 7.52 1.43 -0.90 -1.09 118.68 120.66 1hxr s LEU 31 Ca -0.29 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1hxr s LEU 31 Cb 0.08 0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.49 1hxr s LEU 31 CO 0.64 -0.27 0.70 -1.10 0.23 0.00 0.00 176.35 176.55 1hxr s GLN 32 N -1.20 3.58 0.57 1.70 -1.52 -1.26 -1.10 119.66 120.44 1hxr s GLN 32 Ca -0.13 0.10 -0.20 0.00 -1.95 0.00 0.00 55.36 53.18 1hxr s GLN 32 Cb -0.08 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.18 1hxr s GLN 32 CO -0.00 -0.04 1.12 -2.30 -0.25 0.00 0.00 175.29 173.82 1hxr n PRO 33 N -1.82 1.20 -1.86 2.91 -0.02 -1.26 -3.20 135.00 130.95 1hxr n PRO 33 Ca -0.01 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.72 1hxr n PRO 33 Cb 0.55 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1hxr n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxr n GLY 34 N 1.08 1.15 0.60 -1.23 0.00 0.24 -4.86 105.19 102.17 1hxr n GLY 34 Ca 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1hxr n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hxr n THR 35 N -2.94 0.34 -4.09 2.61 -2.24 -1.19 -4.86 114.28 101.90 1hxr n THR 35 Ca -0.22 -0.67 -0.08 0.00 -2.27 0.00 0.00 64.05 60.81 1hxr n THR 35 Cb 0.68 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 1hxr n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hxr s ALA 36 N -1.06 0.56 -0.02 6.98 0.00 -1.26 -4.80 121.76 122.16 1hxr s ALA 36 Ca 0.19 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1hxr s ALA 36 Cb 0.12 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1hxr s ALA 36 CO 0.17 -0.29 -0.01 -0.51 0.00 0.00 0.00 175.76 175.12 1hxr s LEU 37 N -2.66 3.46 0.19 0.00 1.43 -0.83 -1.98 118.68 118.29 1hxr s LEU 37 Ca 0.04 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1hxr s LEU 37 Cb 0.04 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 1hxr s LEU 37 CO -0.07 0.30 1.19 0.12 0.23 0.00 0.00 176.35 178.12 1hxr s PHE 38 N -1.02 3.44 -0.02 0.29 2.19 -0.11 0.09 117.98 122.83 1hxr s PHE 38 Ca 0.18 1.44 0.03 0.00 0.33 0.00 0.00 56.93 58.91 1hxr s PHE 38 Cb -0.11 -3.42 0.00 0.00 -1.31 0.00 0.00 43.02 38.18 1hxr s PHE 38 CO 0.08 -1.15 -0.10 0.45 1.83 0.00 0.00 175.22 176.32 1hxr s SER 39 N 0.08 1.33 -0.16 6.13 0.15 0.70 -4.87 113.70 117.06 1hxr s SER 39 Ca 0.52 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 57.12 1hxr s SER 39 Cb -0.32 -0.32 0.60 0.00 -1.71 0.00 0.00 66.02 64.26 1hxr s SER 39 CO 0.37 0.09 1.51 -2.11 1.20 0.00 0.00 173.24 174.29 1hxr n ARG 40 N 3.19 3.49 -1.83 5.44 1.85 -1.26 -0.23 116.66 127.32 1hxr n ARG 40 Ca -0.17 -2.83 -0.42 0.00 -1.00 0.00 0.00 57.85 53.43 1hxr n ARG 40 Cb 0.54 -1.88 -0.02 0.00 -1.05 0.00 0.00 32.46 30.05 1hxr n ARG 40 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1hxr s ARG 41 N -2.47 4.16 -0.13 2.89 3.52 -1.26 -4.64 118.95 121.01 1hxr s ARG 41 Ca 0.44 2.51 -0.29 0.00 -0.13 0.00 0.00 55.73 58.26 1hxr s ARG 41 Cb 0.33 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1hxr s ARG 41 CO 0.13 -0.60 1.11 -1.14 -0.81 0.00 0.00 175.30 173.99 1hxr s GLN 42 N -0.12 4.33 0.01 5.12 0.74 -1.26 -4.21 119.66 124.27 1hxr s GLN 42 Ca 0.65 1.50 0.00 0.00 0.05 0.00 0.00 55.36 57.56 1hxr s GLN 42 Cb -0.47 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.03 1hxr s GLN 42 CO 0.44 -0.50 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.15 1hxr s LEU 43 N 2.62 2.09 -0.24 3.68 1.43 0.97 -4.97 118.68 124.27 1hxr s LEU 43 Ca 0.50 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 1hxr s LEU 43 Cb -0.20 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 1hxr s LEU 43 CO 0.15 -0.10 0.40 0.12 0.23 0.00 0.00 176.35 177.16 1hxr s PHE 44 N -0.54 3.31 -0.19 0.29 5.36 -1.26 -0.24 117.98 124.72 1hxr s PHE 44 Ca -0.05 0.54 -0.00 0.00 -0.96 0.00 0.00 56.93 56.45 1hxr s PHE 44 Cb -0.04 -2.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1hxr s PHE 44 CO -0.00 -0.13 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.96 1hxr s LEU 45 N 1.73 2.35 0.74 6.12 1.02 0.48 -4.95 118.68 126.17 1hxr s LEU 45 Ca 0.18 -0.57 -0.16 0.00 0.02 0.00 0.00 54.13 53.60 1hxr s LEU 45 Cb -0.15 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.50 1hxr s LEU 45 CO 0.09 0.01 0.76 -2.65 0.02 0.00 0.00 176.35 174.58 1hxr n PRO 46 N 4.59 0.36 -1.61 1.29 -0.02 -1.26 -0.64 135.00 137.70 1hxr n PRO 46 Ca -0.20 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 1hxr n PRO 46 Cb 0.50 -2.04 0.07 0.00 -0.02 0.00 0.00 33.50 32.01 1hxr n PRO 46 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hxr n SER 47 N -1.15 1.56 -4.70 2.55 3.41 0.19 -4.30 113.62 111.19 1hxr n SER 47 Ca 0.11 0.78 -0.44 0.00 -0.26 0.00 0.00 58.87 59.07 1hxr n SER 47 Cb 0.50 -1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 62.91 1hxr n SER 47 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1hxr n MET 48 N -1.87 2.36 -3.83 4.33 2.81 -1.26 -4.41 117.12 115.25 1hxr n MET 48 Ca 0.15 0.85 -0.06 0.00 -1.81 0.00 0.00 57.70 56.82 1hxr n MET 48 Cb 0.48 -2.60 0.02 0.00 -0.71 0.00 0.00 33.22 30.41 1hxr n MET 48 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1hxr s ARG 49 N 0.31 1.83 0.33 0.03 1.70 0.16 -4.96 118.95 118.35 1hxr s ARG 49 Ca 0.72 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 54.54 1hxr s ARG 49 Cb -0.60 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.21 1hxr s ARG 49 CO 0.42 -0.85 1.20 0.15 -1.08 0.00 0.00 175.30 175.14 1hxr s LYS 50 N -2.44 4.39 0.25 3.89 1.02 -1.26 -1.44 119.74 124.15 1hxr s LYS 50 Ca 0.17 1.99 -0.10 0.00 0.02 0.00 0.00 55.97 58.05 1hxr s LYS 50 Cb -0.04 -3.03 0.39 0.00 -0.52 0.00 0.00 37.83 34.63 1hxr s LYS 50 CO 0.08 -0.07 1.59 -0.22 -0.92 0.00 0.00 175.35 175.81 1hxr h LYS 51 N 3.37 0.01 -0.07 1.68 3.64 -1.55 0.18 116.57 123.83 1hxr h LYS 51 Ca -0.48 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1hxr h LYS 51 Cb 1.22 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1hxr h LYS 51 CO 0.65 0.00 0.18 -1.35 -2.27 0.00 0.00 179.45 176.66 1hxr h PRO 52 N 0.01 0.00 -0.07 1.90 0.11 -1.92 -0.65 132.00 131.38 1hxr h PRO 52 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1hxr h PRO 52 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1hxr h PRO 52 CO -0.86 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 176.68 1hxr n ASP 53 N -3.31 0.93 -0.95 -2.05 8.00 0.05 -3.82 116.55 115.40 1hxr n ASP 53 Ca -0.01 -1.48 0.04 0.00 0.71 0.00 0.00 54.79 54.04 1hxr n ASP 53 Cb 0.26 -0.04 0.16 0.00 -0.02 0.00 0.00 41.12 41.48 1hxr n ASP 53 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hxr n LEU 54 N -0.21 2.64 -4.95 0.64 4.77 -0.25 -4.56 117.00 115.08 1hxr n LEU 54 Ca 0.17 -1.33 -0.29 0.00 -0.03 0.00 0.00 56.01 54.53 1hxr n LEU 54 Cb 0.23 -0.48 0.19 0.00 -2.33 0.00 0.00 43.42 41.03 1hxr n LEU 54 CO 0.14 0.41 0.84 0.68 -1.33 0.00 0.00 177.39 178.13 1hxr s VAL 55 N -1.70 2.00 0.51 4.08 -7.23 -1.25 -4.94 120.40 111.88 1hxr s VAL 55 Ca 0.23 -0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 1hxr s VAL 55 Cb 0.16 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1hxr s VAL 55 CO 0.09 0.00 1.01 -1.81 -0.31 0.00 0.00 175.10 174.08 1hxr s ASP 56 N -4.93 6.41 0.00 4.85 1.01 -1.26 -3.43 116.67 119.32 1hxr s ASP 56 Ca 0.75 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.74 1hxr s ASP 56 Cb -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1hxr s ASP 56 CO 0.52 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1hxr n GLY 57 N -0.95 0.41 1.88 0.21 0.00 -1.26 -5.00 105.19 100.48 1hxr n GLY 57 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1hxr n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxr n SER 58 N -0.24 0.39 -4.63 1.61 3.41 -1.22 -4.93 113.62 108.01 1hxr n SER 58 Ca 0.00 -1.41 -0.52 0.00 -0.26 0.00 0.00 58.87 56.68 1hxr n SER 58 Cb 0.12 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 1hxr n SER 58 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hxr n ASN 59 N -3.16 2.73 0.00 4.04 4.05 -1.26 -4.79 115.26 116.86 1hxr n ASN 59 Ca 0.08 0.84 0.12 0.00 0.45 0.00 0.00 54.58 56.07 1hxr n ASN 59 Cb 0.28 -1.27 0.64 0.00 1.23 0.00 0.00 39.78 40.67 1hxr n ASN 59 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1hxr n PRO 60 N 6.71 0.48 -1.87 1.20 -0.04 -1.26 -4.84 135.00 135.37 1hxr n PRO 60 Ca 0.29 0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 1hxr n PRO 60 Cb 0.22 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1hxr n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hxr s ASP 61 N -2.38 6.41 -0.05 3.54 1.11 -1.26 -4.92 116.67 119.11 1hxr s ASP 61 Ca 0.27 2.96 -0.30 0.00 0.18 0.00 0.00 52.55 55.67 1hxr s ASP 61 Cb 0.16 -2.66 0.11 0.00 1.07 0.00 0.00 42.92 41.60 1hxr s ASP 61 CO 0.34 -0.82 1.34 -0.83 1.18 0.00 0.00 175.17 176.38 1hxr s GLY 62 N -0.25 -0.25 0.12 0.21 0.00 -1.26 -0.64 107.32 105.26 1hxr s GLY 62 Ca 0.52 0.30 0.10 0.00 0.00 0.00 0.00 44.72 45.65 1hxr s GLY 62 CO 0.60 4.46 -0.26 0.99 0.00 0.00 0.00 173.10 178.89 1hxr s ASP 63 N -3.62 3.18 -0.51 1.64 1.01 0.19 -4.84 116.67 113.71 1hxr s ASP 63 Ca 0.26 -0.74 -0.18 0.00 0.71 0.00 0.00 52.55 52.60 1hxr s ASP 63 Cb 0.02 -0.21 0.07 0.00 1.01 0.00 0.00 42.92 43.81 1hxr s ASP 63 CO -0.03 0.16 0.60 -0.69 0.21 0.00 0.00 175.17 175.42 1hxr s VAL 64 N -1.08 4.93 0.02 -1.27 1.01 -1.26 -0.38 120.40 122.36 1hxr s VAL 64 Ca 0.13 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1hxr s VAL 64 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1hxr s VAL 64 CO 0.06 -0.81 0.02 -0.76 0.00 0.00 0.00 175.10 173.61 1hxr s LEU 65 N 2.47 3.58 -0.29 3.92 1.43 0.67 -4.91 118.68 125.56 1hxr s LEU 65 Ca 0.13 -0.01 0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1hxr s LEU 65 Cb -0.21 -2.12 0.49 0.00 0.03 0.00 0.00 46.19 44.38 1hxr s LEU 65 CO 0.10 0.25 1.07 -1.84 0.23 0.00 0.00 176.35 176.17 1hxr n GLU 66 N 1.17 1.50 -3.41 1.70 0.28 -1.26 -0.02 120.64 120.60 1hxr n GLU 66 Ca -0.13 -3.33 -0.15 0.00 -0.16 0.00 0.00 57.16 53.40 1hxr n GLU 66 Cb 0.52 -1.39 -0.10 0.00 1.43 0.00 0.00 31.44 31.90 1hxr n GLU 66 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1hxr s GLU 67 N -3.39 0.29 0.12 3.44 2.02 -1.25 -4.20 118.70 115.74 1hxr s GLU 67 Ca 0.26 0.20 -0.03 0.00 0.02 0.00 0.00 54.97 55.42 1hxr s GLU 67 Cb 0.38 -0.77 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 1hxr s GLU 67 CO -0.01 -0.79 0.09 -1.01 0.02 0.00 0.00 175.26 173.56 1hxr s HIS 68 N 2.42 0.71 -0.29 1.61 3.76 0.68 -1.70 115.29 122.48 1hxr s HIS 68 Ca 0.10 -1.11 -0.09 0.00 -0.15 0.00 0.00 55.06 53.81 1hxr s HIS 68 Cb -0.15 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 1hxr s HIS 68 CO -0.21 -0.54 0.13 -1.58 -0.85 0.00 0.00 174.74 171.70 1hxr s TRP 69 N -4.01 3.15 -0.26 1.40 0.23 0.14 -0.22 118.94 119.38 1hxr s TRP 69 Ca 0.20 -0.45 -0.20 0.00 -2.03 0.00 0.00 56.10 53.62 1hxr s TRP 69 Cb 0.07 -2.32 -0.02 0.00 0.03 0.00 0.00 33.47 31.23 1hxr s TRP 69 CO -0.01 -0.39 0.60 -1.17 0.96 0.00 0.00 176.95 176.94 1hxr s LEU 70 N 1.63 4.06 -0.08 2.99 2.96 0.11 -1.05 118.68 129.31 1hxr s LEU 70 Ca 0.05 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1hxr s LEU 70 Cb -0.16 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 1hxr s LEU 70 CO 0.06 -0.35 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.95 1hxr s VAL 71 N 2.45 3.37 -0.30 1.68 1.01 0.60 -1.96 120.40 127.26 1hxr s VAL 71 Ca 0.25 -0.59 0.22 0.00 0.00 0.00 0.00 61.98 61.86 1hxr s VAL 71 Cb -0.16 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 33.97 1hxr s VAL 71 CO 0.09 0.58 1.25 -0.55 0.00 0.00 0.00 175.10 176.46 1hxr h ASN 72 N 5.60 0.00 -4.43 3.32 -1.07 -1.86 -0.45 115.58 116.69 1hxr h ASN 72 Ca -0.43 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.80 1hxr h ASN 72 Cb 1.17 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.20 1hxr h ASN 72 CO 0.53 0.05 -0.35 -1.81 0.07 0.00 0.00 177.43 175.92 1hxr s ASP 73 N -5.73 -0.21 0.62 6.14 1.11 -1.26 -4.34 116.67 112.99 1hxr s ASP 73 Ca 0.02 0.29 0.39 0.00 0.18 0.00 0.00 52.55 53.43 1hxr s ASP 73 Cb 0.08 0.44 2.03 0.00 1.07 0.00 0.00 42.92 46.54 1hxr s ASP 73 CO 0.75 -0.27 2.25 0.00 1.18 0.00 0.00 175.17 179.07 1hxr h MET 74 N 4.81 0.00 0.00 8.23 -0.00 -1.92 -1.31 114.93 124.74 1hxr h MET 74 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.40 1hxr h MET 74 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1hxr h MET 74 CO 0.36 0.02 -0.08 0.35 -0.00 0.00 0.00 176.91 177.56 1hxr h PHE 75 N 0.00 0.00 -0.22 -0.10 3.57 -2.01 -2.95 116.94 115.22 1hxr h PHE 75 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1hxr h PHE 75 Cb 0.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1hxr h PHE 75 CO 0.00 0.08 -0.19 0.82 -2.23 0.00 0.00 178.31 176.80 1hxr h ILE 76 N 0.00 1.23 -3.64 1.41 1.08 -1.65 -3.44 117.51 112.50 1hxr h ILE 76 Ca -0.00 -1.07 -0.53 0.00 -0.39 0.00 0.00 64.86 62.87 1hxr h ILE 76 Cb 0.59 1.27 0.06 0.00 -3.07 0.00 0.00 36.82 35.68 1hxr h ILE 76 CO 0.01 0.34 0.70 -0.36 -0.69 0.00 0.00 178.15 178.15 1hxr s PHE 77 N -4.61 3.02 -0.13 1.37 0.40 -1.12 -4.74 117.98 112.17 1hxr s PHE 77 Ca -0.06 1.23 -0.28 0.00 -0.60 0.00 0.00 56.93 57.21 1hxr s PHE 77 Cb 0.15 -3.76 -0.25 0.00 0.51 0.00 0.00 43.02 39.67 1hxr s PHE 77 CO 0.77 -2.27 0.77 0.93 0.70 0.00 0.00 175.22 176.12 1hxr h GLU 78 N 4.18 -0.00 -2.99 0.44 4.39 -1.31 -3.46 114.58 115.83 1hxr h GLU 78 Ca -0.48 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 58.97 1hxr h GLU 78 Cb 1.22 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.53 1hxr h GLU 78 CO 0.71 0.95 -0.58 -0.80 -1.16 0.00 0.00 179.01 178.13 1hxr s ASN 79 N -6.18 0.53 -0.08 1.42 0.01 -0.90 -5.01 114.94 104.72 1hxr s ASN 79 Ca -0.18 0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 52.18 1hxr s ASN 79 Cb -0.03 0.47 0.05 0.00 0.41 0.00 0.00 41.25 42.16 1hxr s ASN 79 CO 0.67 -0.24 0.56 -0.69 -1.51 0.00 0.00 177.10 175.89 1hxr s VAL 80 N 2.30 0.02 0.26 1.60 1.01 -1.26 -4.26 120.40 120.07 1hxr s VAL 80 Ca 0.02 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 61.98 1hxr s VAL 80 Cb -0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1hxr s VAL 80 CO -0.07 -0.07 -0.15 -0.83 0.00 0.00 0.00 175.10 173.99 1hxr s GLY 81 N -0.88 1.80 0.05 4.51 0.00 0.08 -4.63 107.32 108.25 1hxr s GLY 81 Ca -0.09 -1.77 0.04 0.00 0.00 0.00 0.00 44.72 42.90 1hxr s GLY 81 CO 0.06 -1.84 -0.11 -1.36 0.00 0.00 0.00 173.10 169.86 1hxr s PHE 82 N -2.31 0.95 0.47 1.90 0.08 -1.26 -0.71 117.98 117.10 1hxr s PHE 82 Ca 0.29 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1hxr s PHE 82 Cb -0.06 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1hxr s PHE 82 CO 0.16 -0.01 0.66 0.95 -0.10 0.00 0.00 175.22 176.88 1hxr s THR 83 N -1.11 2.93 0.78 0.64 -4.23 -0.51 -4.94 115.64 109.20 1hxr s THR 83 Ca -0.04 -0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 1hxr s THR 83 Cb -0.09 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.79 1hxr s THR 83 CO 0.01 -0.02 1.17 -1.59 -0.54 0.00 0.00 174.62 173.65 1hxr s LYS 84 N -4.53 1.91 -0.06 3.99 0.00 -1.26 -4.53 119.74 115.26 1hxr s LYS 84 Ca 0.55 1.60 -0.30 0.00 0.00 0.00 0.00 55.97 57.83 1hxr s LYS 84 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 37.83 35.87 1hxr s LYS 84 CO 0.35 -1.98 1.36 0.16 0.00 0.00 0.00 175.35 175.25 1hxr s ASP 85 N -2.41 6.89 -0.52 0.03 -4.77 -1.26 -4.60 116.67 110.03 1hxr s ASP 85 Ca 0.70 1.97 -0.09 0.00 -3.30 0.00 0.00 52.55 51.82 1hxr s ASP 85 Cb -0.25 -2.55 0.13 0.00 -1.09 0.00 0.00 42.92 39.16 1hxr s ASP 85 CO 0.50 -0.73 0.40 -0.69 0.70 0.00 0.00 175.17 175.34 1hxr s VAL 86 N 2.84 4.32 -0.72 2.11 1.01 0.29 -4.51 120.40 125.74 1hxr s VAL 86 Ca 0.61 -1.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1hxr s VAL 86 Cb -0.28 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1hxr s VAL 86 CO 0.23 -0.81 0.62 0.61 0.00 0.00 0.00 175.10 175.75 1hxr n GLY 87 N 4.71 0.08 3.03 4.51 0.00 -1.26 -2.39 105.19 113.87 1hxr n GLY 87 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hxr n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hxr n ASN 88 N -1.42 -1.40 -4.47 1.61 2.04 -1.26 -4.99 115.26 105.37 1hxr n ASN 88 Ca -0.05 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.75 1hxr n ASN 88 Cb 0.55 -1.17 -0.13 0.00 -2.53 0.00 0.00 39.78 36.51 1hxr n ASN 88 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1hxr s VAL 89 N -2.45 3.63 -0.20 3.53 1.01 -1.01 -1.60 120.40 123.31 1hxr s VAL 89 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1hxr s VAL 89 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1hxr s VAL 89 CO 0.00 0.51 -0.03 -0.54 0.00 0.00 0.00 175.10 175.04 1hxr s LYS 90 N 0.25 3.52 0.14 2.72 1.02 0.18 0.11 119.74 127.69 1hxr s LYS 90 Ca -0.05 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.20 1hxr s LYS 90 Cb -0.14 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.09 1hxr s LYS 90 CO 0.04 -0.01 0.60 -0.06 -0.92 0.00 0.00 175.35 174.99 1hxr s PHE 91 N 1.03 3.68 0.01 3.18 0.40 -1.26 -1.45 117.98 123.58 1hxr s PHE 91 Ca 0.01 1.21 -0.17 0.00 -0.60 0.00 0.00 56.93 57.38 1hxr s PHE 91 Cb -0.15 -2.47 -0.06 0.00 0.51 0.00 0.00 43.02 40.85 1hxr s PHE 91 CO 0.01 0.45 0.50 -0.51 0.70 0.00 0.00 175.22 176.37 1hxr s LEU 92 N -1.70 4.46 0.20 -0.37 1.02 -0.76 -1.42 118.68 120.11 1hxr s LEU 92 Ca 0.36 1.08 0.03 0.00 0.02 0.00 0.00 54.13 55.63 1hxr s LEU 92 Cb -0.17 -2.75 -0.05 0.00 0.02 0.00 0.00 46.19 43.24 1hxr s LEU 92 CO 0.20 0.24 -0.02 0.68 0.02 0.00 0.00 176.35 177.47 1hxr s VAL 93 N -0.78 0.99 0.17 -1.59 -7.23 0.11 -0.70 120.40 111.37 1hxr s VAL 93 Ca 0.27 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 1hxr s VAL 93 Cb -0.18 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 1hxr s VAL 93 CO 0.15 -0.44 1.41 0.00 -0.31 0.00 0.00 175.10 175.92 1hxr h ALA 95 N 6.08 1.08 0.07 0.00 0.00 -1.82 -1.50 119.26 123.17 1hxr h ALA 95 Ca -0.44 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 53.94 1hxr h ALA 95 Cb 1.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1hxr h ALA 95 CO 0.83 0.29 -1.79 -0.25 0.00 0.00 0.00 179.25 178.33 1hxr n ASP 96 N -3.49 2.02 -0.19 0.00 8.00 -1.26 -4.52 116.55 117.12 1hxr n ASP 96 Ca -0.00 0.27 0.06 0.00 0.71 0.00 0.00 54.79 55.83 1hxr n ASP 96 Cb 0.40 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 1hxr n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hxr n GLU 98 N -0.59 -2.26 -3.71 0.00 1.02 -0.56 -4.94 120.64 109.59 1hxr n GLU 98 Ca 0.04 0.99 -0.36 0.00 -0.02 0.00 0.00 57.16 57.81 1hxr n GLU 98 Cb 0.25 -5.69 -0.07 0.00 -0.02 0.00 0.00 31.44 25.91 1hxr n GLU 98 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1hxr s ILE 99 N -3.06 5.38 0.13 -3.67 -1.09 -1.26 -1.38 121.20 116.25 1hxr s ILE 99 Ca 0.05 0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 58.78 1hxr s ILE 99 Cb -0.02 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1hxr s ILE 99 CO 0.07 0.50 0.25 0.61 -1.23 0.00 0.00 174.94 175.13 1hxr n GLY 100 N 2.82 1.81 3.75 6.18 0.00 -0.52 -1.57 105.19 117.66 1hxr n GLY 100 Ca -0.16 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1hxr n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hxr s PRO 101 N -2.06 4.40 0.00 1.61 0.04 -1.26 0.38 135.00 138.11 1hxr s PRO 101 Ca 0.06 0.89 0.22 0.00 0.04 0.00 0.00 61.00 62.20 1hxr s PRO 101 Cb -0.01 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1hxr s PRO 101 CO 0.04 0.33 1.05 0.44 0.04 0.00 0.00 177.00 178.90 1hxr n ILE 102 N 2.78 0.00 -3.91 0.56 -5.35 0.12 -4.85 119.36 108.70 1hxr n ILE 102 Ca -0.05 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 1hxr n ILE 102 Cb 0.51 0.91 -0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1hxr n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hxr n GLY 103 N 1.48 1.54 3.17 3.28 0.00 -1.13 -1.56 105.19 111.97 1hxr n GLY 103 Ca 0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1hxr n GLY 103 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hxr s TRP 104 N -2.62 -0.24 -0.18 1.61 -0.00 0.11 -1.83 118.94 115.80 1hxr s TRP 104 Ca 0.22 0.54 -0.08 0.00 -0.00 0.00 0.00 56.10 56.77 1hxr s TRP 104 Cb -0.03 0.08 0.07 0.00 -0.00 0.00 0.00 33.47 33.59 1hxr s TRP 104 CO 0.16 -0.22 0.41 -1.58 -0.00 0.00 0.00 176.95 175.72 1hxr s HIS 105 N -0.36 -0.66 -0.25 5.86 5.65 -0.53 -0.99 115.29 124.01 1hxr s HIS 105 Ca -0.05 1.36 -0.15 0.00 0.25 0.00 0.00 55.06 56.47 1hxr s HIS 105 Cb -0.03 0.27 -0.04 0.00 -1.18 0.00 0.00 32.58 31.60 1hxr s HIS 105 CO 0.01 -0.39 0.38 0.00 -0.65 0.00 0.00 174.74 174.10 1hxr h LEU 107 N 8.35 0.00 -1.73 0.00 3.38 -1.69 -1.20 115.31 122.43 1hxr h LEU 107 Ca -0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1hxr h LEU 107 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1hxr h LEU 107 CO 0.67 0.00 -0.17 0.44 0.09 0.00 0.00 178.44 179.47 1hxr h ASP 108 N 0.00 0.00 -3.63 -0.43 3.45 -1.93 -3.33 116.42 110.55 1hxr h ASP 108 Ca 0.16 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.95 1hxr h ASP 108 Cb 0.82 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 39.21 1hxr h ASP 108 CO -0.00 0.17 -0.38 -1.81 -1.57 0.00 0.00 179.24 175.64 1hxr s ASP 109 N -6.32 5.20 0.64 6.45 1.01 -0.45 -4.94 116.67 118.26 1hxr s ASP 109 Ca -0.03 -3.46 0.38 0.00 0.71 0.00 0.00 52.55 50.16 1hxr s ASP 109 Cb 0.13 -1.77 2.15 0.00 1.01 0.00 0.00 42.92 44.44 1hxr s ASP 109 CO 0.62 -0.20 2.28 0.07 0.21 0.00 0.00 175.17 178.15 1hxr h LYS 110 N 6.13 0.00 -0.65 8.23 2.10 -1.76 -2.14 116.57 128.48 1hxr h LYS 110 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1hxr h LYS 110 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1hxr h LYS 110 CO 0.75 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.47 1hxr n ASN 111 N -3.32 4.70 -3.77 7.07 0.23 -1.26 -4.79 115.26 114.11 1hxr n ASN 111 Ca -0.02 -2.50 -0.27 0.00 -0.53 0.00 0.00 54.58 51.26 1hxr n ASN 111 Cb 0.12 -0.59 -0.17 0.00 -2.08 0.00 0.00 39.78 37.07 1hxr n ASN 111 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1hxr s SER 112 N -0.84 2.60 -0.06 0.53 0.01 -0.81 -4.01 113.70 111.12 1hxr s SER 112 Ca 0.49 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1hxr s SER 112 Cb 0.33 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1hxr s SER 112 CO 0.22 -0.26 -0.15 -0.36 0.41 0.00 0.00 173.24 173.11 1hxr s PHE 113 N 1.84 1.58 -0.09 2.43 0.40 -0.18 -4.45 117.98 119.51 1hxr s PHE 113 Ca 0.01 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1hxr s PHE 113 Cb -0.16 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1hxr s PHE 113 CO -0.07 -0.23 -0.17 0.71 0.70 0.00 0.00 175.22 176.16 1hxr s TYR 114 N 0.37 2.68 -0.22 0.36 1.51 -0.16 -0.29 117.35 121.60 1hxr s TYR 114 Ca -0.10 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1hxr s TYR 114 Cb -0.14 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1hxr s TYR 114 CO 0.03 -0.13 -0.13 0.08 -1.11 0.00 0.00 175.55 174.29 1hxr s VAL 115 N -0.03 2.38 -0.05 0.71 1.01 -0.21 0.09 120.40 124.30 1hxr s VAL 115 Ca -0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1hxr s VAL 115 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1hxr s VAL 115 CO 0.04 0.28 1.32 0.00 0.00 0.00 0.00 175.10 176.75 1hxr s ALA 116 N 1.26 3.56 0.27 5.51 0.00 -0.60 0.25 121.76 132.01 1hxr s ALA 116 Ca -0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1hxr s ALA 116 Cb -0.16 -3.58 0.53 0.00 0.00 0.00 0.00 23.12 19.91 1hxr s ALA 116 CO -0.08 -0.93 1.83 -0.07 0.00 0.00 0.00 175.76 176.51 1hxr h LEU 117 N 8.61 0.86 -2.05 0.00 3.38 -1.66 -1.33 115.31 123.13 1hxr h LEU 117 Ca -0.35 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1hxr h LEU 117 Cb 1.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1hxr h LEU 117 CO 0.91 0.45 0.00 -0.08 0.09 0.00 0.00 178.44 179.81 1hxr h GLU 118 N 0.93 0.00 -0.28 1.13 4.81 -1.92 -2.41 114.58 116.85 1hxr h GLU 118 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1hxr h GLU 118 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1hxr h GLU 118 CO -0.27 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.55 1hxr n ARG 119 N -2.90 2.33 -4.37 1.92 5.12 -0.51 -4.99 116.66 113.26 1hxr n ARG 119 Ca -0.01 -2.11 -0.21 0.00 -1.93 0.00 0.00 57.85 53.59 1hxr n ARG 119 Cb 0.16 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 29.91 1hxr n ARG 119 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1hxr s VAL 120 N -1.53 0.37 0.22 1.55 -7.23 -0.91 -4.46 120.40 108.41 1hxr s VAL 120 Ca 0.34 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.61 1hxr s VAL 120 Cb 0.21 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1hxr s VAL 120 CO 0.29 0.00 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.50 1hxr s SER 121 N -3.43 3.94 -0.08 4.85 0.01 0.48 -4.78 113.70 114.69 1hxr s SER 121 Ca 0.34 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1hxr s SER 121 Cb 0.04 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.75 1hxr s SER 121 CO 0.18 0.08 -0.16 -1.00 0.41 0.00 0.00 173.24 172.75 1hxr s HIS 122 N -1.95 1.81 0.00 2.43 3.76 -1.26 -0.25 115.29 119.83 1hxr s HIS 122 Ca 0.26 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1hxr s HIS 122 Cb -0.07 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1hxr s HIS 122 CO 0.14 -0.32 0.34 0.39 -0.85 0.00 0.00 174.74 174.45