#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fpr s GLN 4 N 0.00 4.37 -0.02 4.33 2.00 -1.26 -4.21 119.66 124.86 2fpr s GLN 4 Ca 0.00 1.92 -0.30 0.00 -2.00 0.00 0.00 55.36 54.99 2fpr s GLN 4 Cb 0.00 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 30.46 2fpr s GLN 4 CO 0.00 -0.37 0.99 0.15 -0.50 0.00 0.00 175.29 175.56 2fpr s LYS 5 N 1.22 4.52 0.11 1.67 1.02 -1.26 -0.41 119.74 126.61 2fpr s LYS 5 Ca 0.62 1.42 0.10 0.00 0.02 0.00 0.00 55.97 58.14 2fpr s LYS 5 Cb -0.33 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2fpr s LYS 5 CO 0.29 -0.12 -0.26 0.71 -0.92 0.00 0.00 175.35 175.06 2fpr s TYR 6 N 1.24 2.34 -0.19 3.18 2.02 -1.26 -1.44 117.35 123.24 2fpr s TYR 6 Ca 0.51 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2fpr s TYR 6 Cb -0.21 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2fpr s TYR 6 CO 0.26 0.30 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.85 2fpr s LEU 7 N -1.91 2.24 -0.42 -1.29 1.43 -0.03 -1.22 118.68 117.48 2fpr s LEU 7 Ca 0.14 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 2fpr s LEU 7 Cb -0.10 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2fpr s LEU 7 CO 0.06 -0.01 0.35 -0.36 0.23 0.00 0.00 176.35 176.62 2fpr s PHE 8 N 1.30 3.22 -0.16 0.29 0.08 0.10 -0.98 117.98 121.83 2fpr s PHE 8 Ca 0.05 -0.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.51 2fpr s PHE 8 Cb -0.13 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2fpr s PHE 8 CO -0.12 -0.65 -0.14 0.42 -0.10 0.00 0.00 175.22 174.63 2fpr s ILE 9 N 1.80 2.83 0.69 0.64 1.01 0.83 -0.71 121.20 128.30 2fpr s ILE 9 Ca 0.07 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2fpr s ILE 9 Cb -0.19 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2fpr s ILE 9 CO 0.10 0.51 1.21 -0.62 0.00 0.00 0.00 174.94 176.15 2fpr s ASP 10 N 0.77 4.45 0.00 3.58 2.15 -0.22 -1.14 116.67 126.27 2fpr s ASP 10 Ca -0.05 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.30 2fpr s ASP 10 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2fpr s ASP 10 CO 0.01 -2.09 0.00 -1.14 -0.17 0.00 0.00 175.17 171.77 2fpr n ARG 11 N -2.43 0.00 -2.40 4.34 0.63 -1.26 -3.49 116.66 112.06 2fpr n ARG 11 Ca 0.14 0.23 -0.43 0.00 -0.92 0.00 0.00 57.85 56.87 2fpr n ARG 11 Cb 0.50 -0.73 -0.02 0.00 0.45 0.00 0.00 32.46 32.65 2fpr n ARG 11 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2fpr s ASP 12 N -3.50 6.94 0.00 6.15 1.11 -1.26 -0.48 116.67 125.62 2fpr s ASP 12 Ca 0.00 1.75 0.00 0.00 0.18 0.00 0.00 52.55 54.48 2fpr s ASP 12 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 2fpr s ASP 12 CO 0.00 -0.75 0.00 0.61 1.18 0.00 0.00 175.17 176.21 2fpr n GLY 13 N 3.61 0.81 1.40 0.21 0.00 0.21 -4.78 105.19 106.65 2fpr n GLY 13 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2fpr n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fpr n THR 14 N -2.14 0.72 0.04 2.61 -1.04 -0.90 -4.61 114.28 108.95 2fpr n THR 14 Ca 0.00 0.24 -0.22 0.00 -2.04 0.00 0.00 64.05 62.03 2fpr n THR 14 Cb 0.00 -1.14 -0.14 0.00 -1.82 0.00 0.00 70.33 67.23 2fpr n THR 14 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2fpr h LEU 15 N 0.00 0.48 -9.06 -4.42 3.38 -0.82 -3.44 115.31 101.44 2fpr h LEU 15 Ca 0.00 -0.89 -0.47 0.00 0.09 0.00 0.00 57.88 56.61 2fpr h LEU 15 Cb 0.00 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 40.45 2fpr h LEU 15 CO 0.00 1.66 -0.68 0.27 0.09 0.00 0.00 178.44 179.78 2fpr s ILE 16 N -2.51 1.55 0.47 1.22 -4.36 -1.00 -1.58 121.20 114.99 2fpr s ILE 16 Ca -0.18 -2.12 -0.23 0.00 -0.26 0.00 0.00 60.65 57.87 2fpr s ILE 16 Cb 0.04 -2.38 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 2fpr s ILE 16 CO 0.81 -0.34 1.17 -0.44 0.24 0.00 0.00 174.94 176.37 2fpr s SER 17 N -3.40 6.12 -0.31 4.36 0.01 0.59 0.64 113.70 121.70 2fpr s SER 17 Ca 0.28 2.32 -0.15 0.00 1.31 0.00 0.00 55.95 59.71 2fpr s SER 17 Cb 0.04 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2fpr s SER 17 CO 0.11 -0.95 0.39 -0.70 0.41 0.00 0.00 173.24 172.49 2fpr s GLU 18 N -2.73 3.77 0.00 12.44 2.12 -1.26 -4.27 118.70 128.78 2fpr s GLU 18 Ca 0.64 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2fpr s GLU 18 Cb -0.29 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2fpr s GLU 18 CO 0.35 -0.43 0.00 -2.30 -0.54 0.00 0.00 175.26 172.34 2fpr n PRO 19 N 5.42 0.00 0.00 4.30 -0.02 -1.26 -4.92 135.00 138.51 2fpr n PRO 19 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2fpr n PRO 19 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2fpr n PRO 19 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2fpr n ASP 22 N 0.00 0.00 -1.75 2.55 5.75 -1.26 -4.58 116.55 117.26 2fpr n ASP 22 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 2fpr n ASP 22 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2fpr n ASP 22 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2fpr n PHE 23 N 0.00 -0.53 -4.20 2.11 3.72 -1.26 -4.95 117.46 112.36 2fpr n PHE 23 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2fpr n PHE 23 Cb 0.00 -3.02 -0.17 0.00 -0.94 0.00 0.00 39.48 35.35 2fpr n PHE 23 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2fpr s GLN 24 N -3.86 1.37 -1.20 -1.08 -0.21 -1.26 -4.94 119.66 108.48 2fpr s GLN 24 Ca 0.00 -0.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.98 2fpr s GLN 24 Cb 0.00 -1.32 0.15 0.00 1.00 0.00 0.00 33.01 32.85 2fpr s GLN 24 CO 0.00 -0.12 1.46 0.08 -2.12 0.00 0.00 175.29 174.58 2fpr s VAL 25 N 1.18 4.88 -0.74 1.09 1.01 -1.26 -4.70 120.40 121.86 2fpr s VAL 25 Ca -0.06 -2.46 0.08 0.00 0.00 0.00 0.00 61.98 59.55 2fpr s VAL 25 Cb -0.14 -4.94 0.24 0.00 0.00 0.00 0.00 36.38 31.54 2fpr s VAL 25 CO -0.02 -1.67 1.20 -0.90 0.00 0.00 0.00 175.10 173.71 2fpr n ASP 26 N 6.11 2.73 -3.87 3.32 5.75 -1.26 -4.56 116.55 124.76 2fpr n ASP 26 Ca 0.38 -1.99 -0.11 0.00 -0.01 0.00 0.00 54.79 53.05 2fpr n ASP 26 Cb 0.44 -0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.23 2fpr n ASP 26 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2fpr s ARG 27 N -1.00 0.35 0.31 0.11 0.52 -1.26 -4.71 118.95 113.28 2fpr s ARG 27 Ca 0.18 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2fpr s ARG 27 Cb 0.10 0.15 0.60 0.00 0.52 0.00 0.00 34.95 36.32 2fpr s ARG 27 CO 0.12 -0.07 1.90 0.74 0.02 0.00 0.00 175.30 178.01 2fpr h PHE 28 N 4.89 0.99 0.00 -0.53 0.04 -1.92 -1.35 116.94 119.05 2fpr h PHE 28 Ca -0.29 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.51 2fpr h PHE 28 Cb 1.20 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2fpr h PHE 28 CO 0.54 0.48 0.00 -0.40 -0.60 0.00 0.00 178.31 178.33 2fpr n ASP 29 N -4.52 0.00 -0.46 2.17 5.68 -1.26 -1.67 116.55 116.49 2fpr n ASP 29 Ca 0.15 -0.57 0.11 0.00 -0.50 0.00 0.00 54.79 53.97 2fpr n ASP 29 Cb 0.27 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.24 2fpr n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2fpr n LYS 30 N -0.99 1.25 -2.74 0.11 5.02 -0.51 -4.95 118.16 115.35 2fpr n LYS 30 Ca 0.13 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 55.07 2fpr n LYS 30 Cb 0.06 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 2fpr n LYS 30 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2fpr s LEU 31 N -2.43 4.34 -0.19 -0.35 2.96 -0.67 -4.81 118.68 117.53 2fpr s LEU 31 Ca 0.17 1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 55.54 2fpr s LEU 31 Cb 0.17 -3.52 0.06 0.00 0.50 0.00 0.00 46.19 43.40 2fpr s LEU 31 CO 0.56 -0.28 0.48 0.00 -1.32 0.00 0.00 176.35 175.79 2fpr s ALA 32 N 1.15 -1.23 0.33 5.97 0.00 -1.26 -5.03 121.76 121.69 2fpr s ALA 32 Ca 0.50 1.61 -0.20 0.00 0.00 0.00 0.00 51.96 53.86 2fpr s ALA 32 Cb -0.20 -0.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 2fpr s ALA 32 CO 0.25 -0.27 0.84 -0.06 0.00 0.00 0.00 175.76 176.52 2fpr s PHE 33 N 1.00 3.49 0.43 0.00 0.40 -1.26 -0.30 117.98 121.74 2fpr s PHE 33 Ca -0.06 1.49 -0.23 0.00 -0.60 0.00 0.00 56.93 57.53 2fpr s PHE 33 Cb -0.06 -2.73 -0.08 0.00 0.51 0.00 0.00 43.02 40.66 2fpr s PHE 33 CO -0.09 0.12 1.07 -1.21 0.70 0.00 0.00 175.22 175.81 2fpr s GLU 34 N -2.60 3.99 0.22 0.44 0.41 -0.61 -4.73 118.70 115.82 2fpr s GLU 34 Ca 0.53 1.53 -0.32 0.00 -0.41 0.00 0.00 54.97 56.30 2fpr s GLU 34 Cb -0.13 -2.41 -0.12 0.00 -1.78 0.00 0.00 34.13 29.69 2fpr s GLU 34 CO 0.18 -0.29 1.68 -2.30 -0.49 0.00 0.00 175.26 174.04 2fpr n PRO 35 N -0.37 2.69 -0.88 0.39 -0.02 -1.26 -2.77 135.00 132.78 2fpr n PRO 35 Ca 0.06 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 2fpr n PRO 35 Cb 0.50 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2fpr n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fpr n GLY 36 N 3.58 0.61 0.36 -1.23 0.00 -1.26 -4.41 105.19 102.83 2fpr n GLY 36 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2fpr n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2fpr h VAL 37 N 0.00 1.06 0.55 1.61 3.04 -1.88 -1.69 116.25 118.94 2fpr h VAL 37 Ca 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 2fpr h VAL 37 Cb 0.07 -0.14 0.01 0.00 -2.01 0.00 0.00 31.29 29.21 2fpr h VAL 37 CO 0.00 0.20 -0.26 0.40 -1.01 0.00 0.00 177.57 176.90 2fpr h ILE 38 N 1.10 0.00 -0.69 3.17 2.04 -1.90 -1.61 117.51 119.62 2fpr h ILE 38 Ca 0.43 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.93 2fpr h ILE 38 Cb 0.21 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2fpr h ILE 38 CO -0.18 0.00 0.46 1.55 0.00 0.00 0.00 178.15 179.97 2fpr h PRO 39 N -1.20 0.54 -0.09 2.37 0.13 -1.97 -1.10 132.00 130.69 2fpr h PRO 39 Ca -0.08 -0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 64.78 2fpr h PRO 39 Cb 0.57 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2fpr h PRO 39 CO 0.12 0.36 -0.88 1.96 -0.23 0.00 0.00 178.00 179.33 2fpr h GLN 40 N 0.56 0.73 -0.45 0.86 1.08 -1.34 -1.28 115.11 115.27 2fpr h GLN 40 Ca 0.32 -0.67 -0.06 0.00 -1.45 0.00 0.00 58.65 56.80 2fpr h GLN 40 Cb 0.51 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 2fpr h GLN 40 CO -0.11 1.27 0.05 -0.07 -0.95 0.00 0.00 178.83 179.02 2fpr h LEU 41 N 0.46 0.67 -0.49 1.46 3.38 -1.01 0.12 115.31 119.89 2fpr h LEU 41 Ca -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2fpr h LEU 41 Cb 1.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2fpr h LEU 41 CO 0.18 0.71 0.29 -0.07 0.09 0.00 0.00 178.44 179.63 2fpr h LEU 42 N 0.68 0.60 -0.56 1.67 3.38 -1.08 0.46 115.31 120.46 2fpr h LEU 42 Ca 0.14 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2fpr h LEU 42 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2fpr h LEU 42 CO 0.01 0.49 0.36 0.50 0.09 0.00 0.00 178.44 179.88 2fpr h LYS 43 N 0.66 0.70 -0.50 1.13 3.64 -0.61 -1.77 116.57 119.82 2fpr h LYS 43 Ca 0.18 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 2fpr h LYS 43 Cb 0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2fpr h LYS 43 CO -0.03 0.46 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.46 2fpr h LEU 44 N 0.72 0.89 -0.68 5.20 3.38 -0.47 -1.69 115.31 122.65 2fpr h LEU 44 Ca 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2fpr h LEU 44 Cb -0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2fpr h LEU 44 CO -0.07 1.00 0.35 1.56 0.09 0.00 0.00 178.44 181.37 2fpr h GLN 45 N 0.82 0.97 -0.11 1.13 4.20 -0.66 -2.08 115.11 119.37 2fpr h GLN 45 Ca 0.14 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2fpr h GLN 45 Cb 0.59 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2fpr h GLN 45 CO 0.04 0.75 -0.20 0.87 -0.67 0.00 0.00 178.83 179.62 2fpr h LYS 46 N 0.94 0.19 0.00 1.46 1.57 -0.98 -1.39 116.57 118.36 2fpr h LYS 46 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2fpr h LYS 46 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2fpr h LYS 46 CO -0.03 0.39 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 2fpr n ALA 47 N -2.49 2.53 -0.19 3.86 0.00 -0.67 -4.90 120.51 118.66 2fpr n ALA 47 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2fpr n ALA 47 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2fpr n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fpr n GLY 48 N 0.73 0.90 3.75 0.00 0.00 -0.52 -5.07 105.19 104.97 2fpr n GLY 48 Ca 0.20 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2fpr n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fpr s TYR 49 N -2.00 3.84 0.01 1.61 2.02 -0.81 -4.40 117.35 117.62 2fpr s TYR 49 Ca 0.00 1.70 -0.07 0.00 -0.37 0.00 0.00 57.07 58.32 2fpr s TYR 49 Cb 0.00 -2.92 -0.05 0.00 -0.40 0.00 0.00 41.96 38.59 2fpr s TYR 49 CO 0.00 0.33 0.28 0.15 -1.57 0.00 0.00 175.55 174.74 2fpr s LYS 50 N -0.45 3.61 -0.09 -0.62 -0.14 -0.52 -4.26 119.74 117.26 2fpr s LYS 50 Ca 0.41 -0.02 -0.00 0.00 -1.36 0.00 0.00 55.97 55.00 2fpr s LYS 50 Cb -0.23 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 2fpr s LYS 50 CO 0.28 0.65 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.94 2fpr s LEU 51 N -1.69 3.14 -0.05 3.17 1.43 -1.26 -0.85 118.68 122.57 2fpr s LEU 51 Ca 0.27 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2fpr s LEU 51 Cb -0.13 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2fpr s LEU 51 CO 0.15 0.30 -0.02 -0.69 0.23 0.00 0.00 176.35 176.33 2fpr s VAL 52 N -0.46 0.39 -0.00 -1.59 1.01 -0.15 -0.06 120.40 119.54 2fpr s VAL 52 Ca 0.07 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 2fpr s VAL 52 Cb -0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 2fpr s VAL 52 CO 0.02 0.22 0.47 -0.32 0.00 0.00 0.00 175.10 175.49 2fpr s MET 53 N 1.34 4.08 -0.06 2.72 1.75 -0.49 -0.12 119.30 128.52 2fpr s MET 53 Ca -0.05 0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 54.88 2fpr s MET 53 Cb -0.13 -3.27 0.04 0.00 2.84 0.00 0.00 34.83 34.31 2fpr s MET 53 CO -0.02 0.57 0.11 -1.50 -0.65 0.00 0.00 175.02 173.53 2fpr s ILE 54 N -0.76 -0.18 -0.05 10.11 2.07 -0.29 -0.19 121.20 131.91 2fpr s ILE 54 Ca 0.26 0.38 -0.04 0.00 -1.41 0.00 0.00 60.65 59.84 2fpr s ILE 54 Cb -0.17 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.21 2fpr s ILE 54 CO 0.14 0.16 0.13 0.28 -1.91 0.00 0.00 174.94 173.75 2fpr s THR 55 N 2.18 -0.01 -0.30 4.00 -1.32 -0.19 -3.96 115.64 116.05 2fpr s THR 55 Ca 0.03 0.03 -0.17 0.00 -1.21 0.00 0.00 61.69 60.37 2fpr s THR 55 Cb -0.12 -0.19 -0.02 0.00 -1.51 0.00 0.00 72.50 70.65 2fpr s THR 55 CO -0.04 0.01 0.45 0.20 -2.21 0.00 0.00 174.62 173.03 2fpr s ASN 56 N 0.23 6.31 -0.68 8.08 0.01 -1.26 -1.16 114.94 126.47 2fpr s ASN 56 Ca -0.01 0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.30 2fpr s ASN 56 Cb -0.02 -2.25 0.17 0.00 0.41 0.00 0.00 41.25 39.56 2fpr s ASN 56 CO -0.01 -0.33 0.50 -1.10 -1.51 0.00 0.00 177.10 174.65 2fpr s GLN 57 N 2.23 2.65 -0.25 -0.60 -1.52 0.10 -4.96 119.66 117.31 2fpr s GLN 57 Ca 0.17 -2.78 -0.35 0.00 -1.95 0.00 0.00 55.36 50.45 2fpr s GLN 57 Cb -0.16 -3.71 -0.12 0.00 -0.22 0.00 0.00 33.01 28.81 2fpr s GLN 57 CO 0.11 -1.20 2.01 -0.25 -0.25 0.00 0.00 175.29 175.72 2fpr n ASP 58 N 3.05 2.65 -0.78 5.90 9.92 -1.26 -1.81 116.55 134.22 2fpr n ASP 58 Ca 0.12 0.70 -0.08 0.00 -0.53 0.00 0.00 54.79 54.99 2fpr n ASP 58 Cb 0.37 -1.29 -0.02 0.00 -0.64 0.00 0.00 41.12 39.54 2fpr n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2fpr n GLY 59 N 5.40 0.44 3.67 0.44 0.00 -0.33 -4.87 105.19 109.95 2fpr n GLY 59 Ca 0.32 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2fpr n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fpr s LEU 60 N -2.09 4.41 0.00 0.99 2.96 -0.73 -2.20 118.68 122.02 2fpr s LEU 60 Ca 0.00 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 2fpr s LEU 60 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2fpr s LEU 60 CO 0.00 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 174.63 2fpr n GLY 61 N 4.35 1.10 3.54 7.98 0.00 0.12 -4.86 105.19 117.42 2fpr n GLY 61 Ca 0.19 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2fpr n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fpr s THR 62 N -2.00 1.17 0.28 2.61 -4.23 -0.94 -4.83 115.64 107.72 2fpr s THR 62 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2fpr s THR 62 Cb 0.00 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.49 2fpr s THR 62 CO 0.00 0.00 1.68 -0.61 -0.54 0.00 0.00 174.62 175.15 2fpr h GLN 63 N 1.88 0.32 0.00 3.99 4.15 -2.00 0.73 115.11 124.17 2fpr h GLN 63 Ca -0.40 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2fpr h GLN 63 Cb 1.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2fpr h GLN 63 CO 0.69 0.21 0.00 0.77 -1.93 0.00 0.00 178.83 178.57 2fpr h SER 64 N 0.32 0.00 -0.86 -0.69 0.02 -1.96 -3.39 113.55 107.00 2fpr h SER 64 Ca 0.54 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.19 2fpr h SER 64 Cb 1.04 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.36 2fpr h SER 64 CO -0.56 0.00 -0.66 0.33 -1.14 0.00 0.00 176.83 174.80 2fpr n PHE 65 N -2.89 -2.66 -1.78 3.45 7.35 0.10 -5.07 117.46 115.95 2fpr n PHE 65 Ca 0.03 -2.16 -0.38 0.00 -0.76 0.00 0.00 57.45 54.18 2fpr n PHE 65 Cb 0.39 1.05 0.05 0.00 0.35 0.00 0.00 39.48 41.32 2fpr n PHE 65 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2fpr s PRO 66 N 0.32 2.87 0.26 -7.13 0.02 -0.35 0.13 135.00 131.12 2fpr s PRO 66 Ca 0.32 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 2fpr s PRO 66 Cb 0.14 -2.05 0.46 0.00 0.02 0.00 0.00 34.50 33.07 2fpr s PRO 66 CO -0.17 -1.37 1.84 0.37 -0.33 0.00 0.00 177.00 177.34 2fpr h GLN 67 N 1.02 0.93 -0.76 5.54 5.75 -1.88 -1.49 115.11 124.23 2fpr h GLN 67 Ca -0.51 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 57.94 2fpr h GLN 67 Cb 1.32 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 2fpr h GLN 67 CO 0.55 0.61 0.50 0.00 -2.65 0.00 0.00 178.83 177.85 2fpr h ALA 68 N 1.49 1.46 -0.27 3.38 0.00 -1.99 0.11 119.26 123.44 2fpr h ALA 68 Ca 0.44 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 2fpr h ALA 68 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2fpr h ALA 68 CO -0.24 0.50 -0.24 -0.44 0.00 0.00 0.00 179.25 178.83 2fpr h ASP 69 N 1.03 0.52 -0.08 0.00 5.19 -1.58 -2.88 116.42 118.61 2fpr h ASP 69 Ca 0.28 -0.17 -0.25 0.00 -0.62 0.00 0.00 57.03 56.27 2fpr h ASP 69 Cb -0.12 -0.14 0.02 0.00 0.18 0.00 0.00 39.33 39.27 2fpr h ASP 69 CO -0.06 0.75 -0.91 0.15 -3.12 0.00 0.00 179.24 176.06 2fpr h PHE 70 N 0.45 1.07 -0.62 4.55 3.57 -1.13 -3.38 116.94 121.45 2fpr h PHE 70 Ca 0.07 -0.53 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 2fpr h PHE 70 Cb 0.67 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2fpr h PHE 70 CO 0.02 1.36 0.18 -0.44 -2.23 0.00 0.00 178.31 177.20 2fpr h ASP 71 N 0.48 0.92 0.63 0.41 3.32 -0.58 -2.00 116.42 119.61 2fpr h ASP 71 Ca -0.09 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 2fpr h ASP 71 Cb 1.55 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2fpr h ASP 71 CO 0.18 0.90 -0.33 1.23 -1.72 0.00 0.00 179.24 179.51 2fpr h GLY 72 N 0.90 -0.96 0.92 2.75 0.00 -1.70 0.15 103.07 105.12 2fpr h GLY 72 Ca 0.20 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2fpr h GLY 72 CO -0.00 -0.34 0.63 -2.55 0.00 0.00 0.00 176.54 174.27 2fpr h PRO 73 N -0.88 1.17 -0.05 4.80 0.11 -1.76 -1.85 132.00 133.53 2fpr h PRO 73 Ca -0.09 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 2fpr h PRO 73 Cb 0.68 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 2fpr h PRO 73 CO 0.13 0.77 0.02 1.25 -0.21 0.00 0.00 178.00 179.95 2fpr h HIS 74 N 1.20 0.08 -0.85 0.65 -0.00 -1.18 0.39 115.15 115.45 2fpr h HIS 74 Ca 0.38 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.72 2fpr h HIS 74 Cb 0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 2fpr h HIS 74 CO -0.00 0.26 0.42 -0.91 -0.00 0.00 0.00 177.93 177.69 2fpr h ASN 75 N -0.11 1.10 -0.17 3.26 2.35 -0.58 -0.07 115.58 121.34 2fpr h ASN 75 Ca 0.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2fpr h ASN 75 Cb 0.21 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2fpr h ASN 75 CO -0.00 0.91 0.09 0.25 -1.65 0.00 0.00 177.43 177.03 2fpr h LEU 76 N 1.20 0.23 -0.66 1.61 5.85 -1.24 -0.01 115.31 122.29 2fpr h LEU 76 Ca 0.29 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2fpr h LEU 76 Cb 0.10 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2fpr h LEU 76 CO -0.04 0.28 0.24 -0.03 -0.34 0.00 0.00 178.44 178.55 2fpr h MET 77 N 0.16 0.40 -0.53 1.25 4.05 -0.37 -1.15 114.93 118.73 2fpr h MET 77 Ca 0.06 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2fpr h MET 77 Cb 0.11 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2fpr h MET 77 CO -0.01 0.26 0.27 0.52 0.23 0.00 0.00 176.91 178.18 2fpr h MET 78 N 0.41 0.75 -0.40 0.39 2.86 -0.74 -1.19 114.93 117.01 2fpr h MET 78 Ca 0.34 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.96 2fpr h MET 78 Cb 0.47 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 2fpr h MET 78 CO -0.35 0.61 -0.02 0.37 1.06 0.00 0.00 176.91 178.58 2fpr h GLN 79 N 0.71 0.08 0.26 1.72 -0.00 -0.35 0.95 115.11 118.48 2fpr h GLN 79 Ca 0.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.82 2fpr h GLN 79 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.55 2fpr h GLN 79 CO -0.03 0.05 -0.13 0.82 0.00 0.00 0.00 178.83 179.55 2fpr h ILE 80 N 0.08 0.76 -0.19 2.39 2.04 -0.92 0.57 117.51 122.24 2fpr h ILE 80 Ca 0.20 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2fpr h ILE 80 Cb 0.28 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2fpr h ILE 80 CO -0.35 0.02 -0.05 -0.26 0.00 0.00 0.00 178.15 177.52 2fpr h PHE 81 N -0.40 -0.10 -0.55 1.37 0.04 -0.93 -2.73 116.94 113.64 2fpr h PHE 81 Ca -0.04 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 2fpr h PHE 81 Cb 0.30 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2fpr h PHE 81 CO -0.05 -0.08 0.01 1.15 -0.60 0.00 0.00 178.31 178.74 2fpr h THR 82 N -0.00 1.26 0.00 -1.55 2.02 -0.59 -0.39 112.91 113.66 2fpr h THR 82 Ca 0.09 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2fpr h THR 82 Cb 0.14 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2fpr h THR 82 CO -0.20 0.39 -0.11 0.77 0.37 0.00 0.00 175.52 176.75 2fpr h SER 83 N 0.85 0.00 -0.04 4.18 4.64 -0.82 -1.81 113.55 120.55 2fpr h SER 83 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2fpr h SER 83 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2fpr h SER 83 CO 0.03 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2fpr n GLN 84 N -3.63 1.98 -0.09 4.77 1.13 -0.77 -4.94 117.38 115.83 2fpr n GLN 84 Ca -0.02 -1.43 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 2fpr n GLN 84 Cb 0.23 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2fpr n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fpr n GLY 85 N 1.26 0.72 3.65 1.08 0.00 -0.68 -5.02 105.19 106.19 2fpr n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2fpr n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fpr s VAL 86 N -2.10 4.89 -0.07 1.61 1.01 -0.22 -4.96 120.40 120.54 2fpr s VAL 86 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2fpr s VAL 86 Cb 0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2fpr s VAL 86 CO 0.00 -0.02 -0.24 -1.10 0.00 0.00 0.00 175.10 173.74 2fpr s GLN 87 N 2.58 2.67 -0.22 2.72 -0.21 -1.26 -3.28 119.66 122.65 2fpr s GLN 87 Ca 0.33 -0.86 -0.08 0.00 0.02 0.00 0.00 55.36 54.78 2fpr s GLN 87 Cb -0.16 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 2fpr s GLN 87 CO 0.09 0.28 0.09 -0.06 -2.12 0.00 0.00 175.29 173.56 2fpr s PHE 88 N 0.08 3.19 0.28 0.91 0.08 -1.26 -4.33 117.98 116.93 2fpr s PHE 88 Ca -0.10 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 2fpr s PHE 88 Cb -0.15 -2.18 0.40 0.00 -0.57 0.00 0.00 43.02 40.51 2fpr s PHE 88 CO 0.06 -0.07 1.91 -0.44 -0.10 0.00 0.00 175.22 176.58 2fpr h ASP 89 N 7.48 0.93 -5.07 1.36 5.19 -0.87 -3.44 116.42 122.00 2fpr h ASP 89 Ca -0.37 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 2fpr h ASP 89 Cb 1.17 -0.24 -0.17 0.00 0.18 0.00 0.00 39.33 40.28 2fpr h ASP 89 CO 0.64 0.74 -0.32 -1.61 -3.12 0.00 0.00 179.24 175.57 2fpr s GLU 90 N -5.71 0.76 -0.26 3.56 2.02 -1.26 -5.08 118.70 112.73 2fpr s GLU 90 Ca -0.11 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.31 2fpr s GLU 90 Cb 0.17 0.32 0.06 0.00 0.10 0.00 0.00 34.13 34.78 2fpr s GLU 90 CO 0.80 -0.23 -0.11 0.08 0.02 0.00 0.00 175.26 175.82 2fpr s VAL 91 N -2.64 2.22 -0.25 2.63 1.01 -1.26 -1.40 120.40 120.71 2fpr s VAL 91 Ca -0.04 -1.58 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 2fpr s VAL 91 Cb -0.01 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2fpr s VAL 91 CO -0.04 -0.00 0.12 -0.76 0.00 0.00 0.00 175.10 174.41 2fpr s LEU 92 N 1.12 3.73 -0.08 3.92 1.43 0.74 -4.99 118.68 124.54 2fpr s LEU 92 Ca -0.08 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2fpr s LEU 92 Cb -0.20 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.02 2fpr s LEU 92 CO -0.05 -0.02 -0.17 -0.63 0.23 0.00 0.00 176.35 175.71 2fpr s ILE 93 N 1.53 1.55 -0.31 -0.59 1.01 -1.26 -1.02 121.20 122.11 2fpr s ILE 93 Ca 0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 2fpr s ILE 93 Cb -0.15 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2fpr s ILE 93 CO 0.06 0.45 0.24 0.00 0.00 0.00 0.00 174.94 175.69 2fpr n PRO 95 N 5.13 1.87 -2.30 0.00 -0.04 -1.26 0.03 135.00 138.43 2fpr n PRO 95 Ca -0.13 -1.31 -0.30 0.00 -0.04 0.00 0.00 63.50 61.73 2fpr n PRO 95 Cb 0.51 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2fpr n PRO 95 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2fpr s HIS 96 N -1.77 3.56 0.37 0.54 3.76 -1.26 -1.19 115.29 119.31 2fpr s HIS 96 Ca 0.34 1.15 -0.21 0.00 -0.15 0.00 0.00 55.06 56.18 2fpr s HIS 96 Cb 0.19 -2.57 -0.10 0.00 1.11 0.00 0.00 32.58 31.20 2fpr s HIS 96 CO 0.28 -0.45 0.90 -0.51 -0.85 0.00 0.00 174.74 174.11 2fpr s LEU 97 N -4.71 4.08 0.28 0.89 1.43 -1.26 -3.28 118.68 116.11 2fpr s LEU 97 Ca 0.53 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 2fpr s LEU 97 Cb -0.11 -4.27 0.63 0.00 0.03 0.00 0.00 46.19 42.47 2fpr s LEU 97 CO 0.45 -0.24 1.77 -0.65 0.23 0.00 0.00 176.35 177.92 2fpr h PRO 98 N 2.36 0.70 0.00 1.29 0.11 -1.98 -0.73 132.00 133.75 2fpr h PRO 98 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2fpr h PRO 98 Cb 1.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2fpr h PRO 98 CO 0.63 0.46 -0.00 0.00 -0.21 0.00 0.00 178.00 178.88 2fpr h ALA 99 N 1.60 1.01 0.00 -0.75 0.00 -2.04 -1.52 119.26 117.55 2fpr h ALA 99 Ca 0.52 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 2fpr h ALA 99 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2fpr h ALA 99 CO -0.37 0.00 -0.18 -0.44 0.00 0.00 0.00 179.25 178.27 2fpr h ASP 100 N 0.00 0.00 -6.48 0.00 3.32 -1.51 -3.47 116.42 108.28 2fpr h ASP 100 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2fpr h ASP 100 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2fpr h ASP 100 CO 0.00 0.18 -0.92 -0.62 -1.72 0.00 0.00 179.24 176.16 2fpr n GLU 101 N -3.66 -2.24 -1.82 3.56 1.02 -0.57 -4.97 120.64 111.96 2fpr n GLU 101 Ca -0.01 0.37 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 2fpr n GLU 101 Cb 0.30 -4.16 0.16 0.00 -0.02 0.00 0.00 31.44 27.72 2fpr n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fpr h ASP 103 N -1.54 0.00 -0.01 0.00 3.32 -2.02 -3.38 116.42 112.80 2fpr h ASP 103 Ca -0.45 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2fpr h ASP 103 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2fpr h ASP 103 CO 0.48 0.05 -0.49 0.00 -1.72 0.00 0.00 179.24 177.56 2fpr s ARG 105 N -2.12 4.23 0.22 0.00 3.52 -1.26 -4.61 118.95 118.94 2fpr s ARG 105 Ca 0.10 1.82 -0.30 0.00 -0.13 0.00 0.00 55.73 57.22 2fpr s ARG 105 Cb 0.12 -3.78 -0.15 0.00 -1.56 0.00 0.00 34.95 29.58 2fpr s ARG 105 CO 0.49 -0.71 1.03 1.63 -0.81 0.00 0.00 175.30 176.93 2fpr n LYS 106 N 6.50 1.08 -0.28 5.12 5.02 -1.26 -1.25 118.16 133.10 2fpr n LYS 106 Ca 0.14 0.38 0.05 0.00 -2.02 0.00 0.00 58.31 56.86 2fpr n LYS 106 Cb 0.44 -1.77 0.17 0.00 -0.02 0.00 0.00 35.03 33.85 2fpr n LYS 106 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2fpr n PRO 107 N 1.25 2.23 -1.64 1.97 -0.04 -1.26 -5.01 135.00 132.50 2fpr n PRO 107 Ca 0.13 -1.36 -0.35 0.00 -0.04 0.00 0.00 63.50 61.88 2fpr n PRO 107 Cb 0.27 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.30 2fpr n PRO 107 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2fpr s LYS 108 N -1.65 2.43 0.00 0.54 1.02 -0.38 -4.32 119.74 117.38 2fpr s LYS 108 Ca 0.25 1.84 0.20 0.00 0.02 0.00 0.00 55.97 58.28 2fpr s LYS 108 Cb 0.15 -1.86 0.37 0.00 -0.52 0.00 0.00 37.83 35.97 2fpr s LYS 108 CO 0.13 -1.63 1.31 0.28 -0.92 0.00 0.00 175.35 174.52 2fpr n VAL 109 N -2.27 0.50 -0.17 3.17 0.31 -1.26 -4.66 118.33 113.94 2fpr n VAL 109 Ca 0.14 -0.75 -0.02 0.00 -0.01 0.00 0.00 64.34 63.71 2fpr n VAL 109 Cb 0.50 0.97 0.07 0.00 -0.91 0.00 0.00 33.84 34.46 2fpr n VAL 109 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2fpr h LYS 110 N 3.92 0.14 -0.19 5.55 3.64 -1.87 -0.13 116.57 127.63 2fpr h LYS 110 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2fpr h LYS 110 Cb 0.90 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2fpr h LYS 110 CO 0.00 0.09 0.17 -0.07 -2.27 0.00 0.00 179.45 177.37 2fpr h LEU 111 N 0.15 0.00 -2.94 5.20 3.38 -1.83 -2.34 115.31 116.93 2fpr h LEU 111 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2fpr h LEU 111 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2fpr h LEU 111 CO -0.41 0.00 0.00 0.52 0.09 0.00 0.00 178.44 178.64 2fpr n VAL 112 N -4.06 1.23 -0.29 1.22 0.31 -0.11 -4.72 118.33 111.91 2fpr n VAL 112 Ca 0.02 -1.13 0.10 0.00 -0.01 0.00 0.00 64.34 63.32 2fpr n VAL 112 Cb 0.30 0.37 0.26 0.00 -0.91 0.00 0.00 33.84 33.86 2fpr n VAL 112 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2fpr h GLU 113 N 2.41 0.35 -0.94 5.55 4.39 -0.84 -0.96 114.58 124.55 2fpr h GLU 113 Ca 0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2fpr h GLU 113 Cb 0.91 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.41 2fpr h GLU 113 CO 0.05 0.23 0.60 -0.09 -1.16 0.00 0.00 179.01 178.64 2fpr h ARG 114 N 0.36 0.98 0.00 2.33 1.12 -1.84 0.94 114.38 118.26 2fpr h ARG 114 Ca 0.51 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 59.29 2fpr h ARG 114 Cb 0.92 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 2fpr h ARG 114 CO -0.52 0.65 -0.15 1.88 -3.11 0.00 0.00 179.97 178.72 2fpr h TYR 115 N 1.01 0.00 -2.01 2.20 -1.99 -1.55 -3.48 116.97 111.16 2fpr h TYR 115 Ca 0.42 0.00 -0.77 0.00 2.00 0.00 0.00 58.73 60.38 2fpr h TYR 115 Cb 0.30 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.83 2fpr h TYR 115 CO -0.00 0.15 1.53 1.28 -0.00 0.00 0.00 178.16 181.11 2fpr n LEU 116 N -3.36 6.34 0.00 3.88 4.77 0.32 -5.04 117.00 123.91 2fpr n LEU 116 Ca -0.00 -4.79 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 2fpr n LEU 116 Cb 0.35 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2fpr n LEU 116 CO 0.31 1.37 0.00 1.15 -1.33 0.00 0.00 177.39 178.89 2fpr n MET 121 N 3.39 0.00 -2.40 3.23 0.00 -1.26 -5.11 117.12 114.96 2fpr n MET 121 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.68 2fpr n MET 121 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.55 2fpr n MET 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2fpr s ASP 122 N -1.27 6.06 0.31 3.17 -1.08 0.45 -4.83 116.67 119.48 2fpr s ASP 122 Ca 0.00 -1.08 -0.01 0.00 -0.52 0.00 0.00 52.55 50.94 2fpr s ASP 122 Cb 0.00 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.37 2fpr s ASP 122 CO 0.00 -1.90 1.94 0.03 0.52 0.00 0.00 175.17 175.76 2fpr h ARG 123 N 10.42 0.95 0.00 4.34 3.08 -1.93 -1.70 114.38 129.54 2fpr h ARG 123 Ca 0.11 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2fpr h ARG 123 Cb 1.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2fpr h ARG 123 CO 1.35 0.69 -0.05 0.00 -1.07 0.00 0.00 179.97 180.89 2fpr h ALA 124 N 1.47 1.59 -0.02 0.04 0.00 -1.89 -3.01 119.26 117.44 2fpr h ALA 124 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2fpr h ALA 124 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2fpr h ALA 124 CO -0.04 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.36 2fpr n ASN 125 N -4.00 2.23 -4.74 0.00 5.03 -0.80 -4.91 115.26 108.08 2fpr n ASN 125 Ca -0.03 -2.45 -0.29 0.00 0.87 0.00 0.00 54.58 52.69 2fpr n ASN 125 Cb 0.14 -0.19 -0.07 0.00 -1.02 0.00 0.00 39.78 38.64 2fpr n ASN 125 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2fpr s SER 126 N -1.74 5.32 0.02 6.41 0.01 -0.71 -4.42 113.70 118.59 2fpr s SER 126 Ca 0.15 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2fpr s SER 126 Cb 0.12 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.98 2fpr s SER 126 CO 0.02 0.15 -0.05 -0.31 0.41 0.00 0.00 173.24 173.46 2fpr s TYR 127 N -1.46 0.45 -0.12 2.43 2.02 -0.36 -2.52 117.35 117.79 2fpr s TYR 127 Ca 0.28 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.43 2fpr s TYR 127 Cb -0.11 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2fpr s TYR 127 CO 0.21 -0.10 0.38 0.08 -1.57 0.00 0.00 175.55 174.55 2fpr s VAL 128 N -1.09 5.22 -0.21 0.71 1.01 -0.03 0.02 120.40 126.04 2fpr s VAL 128 Ca -0.09 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2fpr s VAL 128 Cb -0.08 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2fpr s VAL 128 CO -0.00 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 174.70 2fpr s ILE 129 N 0.31 2.22 0.19 2.22 1.01 0.12 -0.50 121.20 126.76 2fpr s ILE 129 Ca 0.21 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.55 2fpr s ILE 129 Cb -0.14 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.34 2fpr s ILE 129 CO 0.08 0.37 0.70 -0.83 0.00 0.00 0.00 174.94 175.27 2fpr s GLY 130 N 1.26 -0.38 0.00 6.18 0.00 -0.85 -1.05 107.32 112.47 2fpr s GLY 130 Ca 0.01 0.22 0.25 0.00 0.00 0.00 0.00 44.72 45.21 2fpr s GLY 130 CO -0.10 0.07 1.37 2.09 0.00 0.00 0.00 173.10 176.53 2fpr n ASP 131 N -0.40 1.67 -4.60 1.64 5.75 -1.26 -0.72 116.55 118.63 2fpr n ASP 131 Ca -0.11 -1.31 -0.26 0.00 -0.01 0.00 0.00 54.79 53.10 2fpr n ASP 131 Cb 0.62 0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.87 2fpr n ASP 131 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2fpr s ARG 132 N -2.39 2.15 0.42 0.11 0.52 -1.26 -4.83 118.95 113.67 2fpr s ARG 132 Ca 0.24 -1.29 0.18 0.00 -0.52 0.00 0.00 55.73 54.34 2fpr s ARG 132 Cb 0.19 -2.18 1.10 0.00 0.52 0.00 0.00 34.95 34.59 2fpr s ARG 132 CO 0.50 0.42 1.85 0.00 0.02 0.00 0.00 175.30 178.09 2fpr h ALA 133 N 2.64 2.23 0.00 2.13 0.00 -2.00 -1.04 119.26 123.22 2fpr h ALA 133 Ca -0.46 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2fpr h ALA 133 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2fpr h ALA 133 CO 0.56 -0.52 -0.25 1.79 0.00 0.00 0.00 179.25 180.83 2fpr h THR 134 N 0.39 0.92 -0.45 0.00 1.35 -1.95 -0.55 112.91 112.62 2fpr h THR 134 Ca 0.47 -0.95 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 2fpr h THR 134 Cb 1.21 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 2fpr h THR 134 CO -0.18 0.25 -0.28 0.44 -0.25 0.00 0.00 175.52 175.50 2fpr h ASP 135 N 0.00 1.03 -0.46 5.36 3.32 -1.55 -0.94 116.42 123.18 2fpr h ASP 135 Ca -0.00 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 2fpr h ASP 135 Cb 0.54 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2fpr h ASP 135 CO 0.03 1.23 -0.23 0.40 -1.72 0.00 0.00 179.24 178.96 2fpr h ILE 136 N 0.83 1.27 -0.84 0.35 1.08 -1.27 -2.33 117.51 116.60 2fpr h ILE 136 Ca 0.09 -1.39 -0.03 0.00 -0.39 0.00 0.00 64.86 63.14 2fpr h ILE 136 Cb 0.87 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 2fpr h ILE 136 CO 0.08 0.48 0.39 -0.61 -0.69 0.00 0.00 178.15 177.79 2fpr h GLN 137 N 0.84 1.22 -0.77 2.37 5.75 -1.05 -1.76 115.11 121.70 2fpr h GLN 137 Ca 0.11 -0.19 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2fpr h GLN 137 Cb 0.80 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.07 2fpr h GLN 137 CO 0.07 0.94 0.44 1.25 -2.65 0.00 0.00 178.83 178.88 2fpr h LEU 138 N 1.20 0.66 -0.23 -2.39 5.85 -0.91 0.53 115.31 120.02 2fpr h LEU 138 Ca 0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2fpr h LEU 138 Cb 0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2fpr h LEU 138 CO -0.03 0.41 0.15 0.00 -0.34 0.00 0.00 178.44 178.63 2fpr h ALA 139 N 1.40 0.29 -0.60 1.25 0.00 -0.88 0.23 119.26 120.96 2fpr h ALA 139 Ca 0.35 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.28 2fpr h ALA 139 Cb 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2fpr h ALA 139 CO -0.20 -0.23 0.34 1.49 0.00 0.00 0.00 179.25 180.65 2fpr h GLU 140 N 0.30 0.62 -0.21 0.00 4.81 -0.80 -0.74 114.58 118.57 2fpr h GLU 140 Ca 0.08 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2fpr h GLU 140 Cb -0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2fpr h GLU 140 CO -0.02 0.41 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.61 2fpr h ASN 141 N 0.64 0.35 1.07 1.04 2.35 -0.52 -2.45 115.58 118.06 2fpr h ASN 141 Ca 0.26 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2fpr h ASN 141 Cb 0.12 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2fpr h ASN 141 CO -0.15 0.53 -0.13 0.23 -1.65 0.00 0.00 177.43 176.26 2fpr n MET 142 N -4.21 0.11 -2.23 0.81 2.81 0.04 -4.94 117.12 109.50 2fpr n MET 142 Ca -0.00 0.08 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 2fpr n MET 142 Cb 0.32 -1.61 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2fpr n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2fpr n GLY 143 N 1.42 0.05 3.60 3.03 0.00 -0.38 -5.03 105.19 107.89 2fpr n GLY 143 Ca 0.06 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2fpr n GLY 143 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2fpr s ILE 144 N -2.49 0.96 0.54 -0.61 -4.36 -0.65 -4.87 121.20 109.72 2fpr s ILE 144 Ca 0.02 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.23 2fpr s ILE 144 Cb -0.01 -2.38 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 2fpr s ILE 144 CO 0.03 0.00 1.07 0.20 0.24 0.00 0.00 174.94 176.48 2fpr s ASN 145 N -3.69 5.95 -0.05 4.36 0.01 -1.05 -4.15 114.94 116.32 2fpr s ASN 145 Ca 0.20 1.95 0.04 0.00 -0.71 0.00 0.00 52.86 54.35 2fpr s ASN 145 Cb 0.03 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 2fpr s ASN 145 CO 0.11 -1.06 -0.18 -0.83 -1.51 0.00 0.00 177.10 173.63 2fpr s GLY 146 N -2.22 0.99 -0.17 0.66 0.00 -1.26 -0.85 107.32 104.46 2fpr s GLY 146 Ca 0.67 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.66 2fpr s GLY 146 CO 0.28 -0.35 -0.16 1.08 0.00 0.00 0.00 173.10 173.96 2fpr s LEU 147 N 0.09 2.38 -0.80 0.66 1.43 0.35 -4.96 118.68 117.84 2fpr s LEU 147 Ca -0.06 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 2fpr s LEU 147 Cb -0.13 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.64 2fpr s LEU 147 CO 0.03 0.04 1.06 -0.60 0.23 0.00 0.00 176.35 177.11 2fpr s ARG 148 N 1.08 3.35 0.25 1.70 6.06 -1.26 -2.01 118.95 128.12 2fpr s ARG 148 Ca -0.00 -1.26 -0.31 0.00 -2.50 0.00 0.00 55.73 51.66 2fpr s ARG 148 Cb -0.14 -4.60 -0.12 0.00 0.06 0.00 0.00 34.95 30.14 2fpr s ARG 148 CO -0.05 -1.82 1.60 0.98 -2.50 0.00 0.00 175.30 173.50 2fpr n TYR 149 N 7.27 2.66 -3.68 5.12 9.36 0.10 -4.73 117.16 133.26 2fpr n TYR 149 Ca 0.10 0.23 -0.15 0.00 3.32 0.00 0.00 57.90 61.40 2fpr n TYR 149 Cb 0.47 -2.59 -0.15 0.00 -0.63 0.00 0.00 39.34 36.44 2fpr n TYR 149 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2fpr s ASP 150 N 0.67 0.49 0.43 2.98 2.15 -0.38 -4.22 116.67 118.80 2fpr s ASP 150 Ca 0.69 0.38 0.18 0.00 0.43 0.00 0.00 52.55 54.23 2fpr s ASP 150 Cb -0.54 0.34 1.10 0.00 -0.30 0.00 0.00 42.92 43.52 2fpr s ASP 150 CO 0.44 -0.22 1.88 -0.09 -0.17 0.00 0.00 175.17 177.00 2fpr h ARG 151 N 8.11 0.37 0.10 4.34 2.43 -1.91 -1.07 114.38 126.76 2fpr h ARG 151 Ca -0.20 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.63 2fpr h ARG 151 Cb 1.12 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2fpr h ARG 151 CO 0.20 0.24 -1.70 1.49 -1.51 0.00 0.00 179.97 178.70 2fpr h GLU 152 N 0.38 0.22 0.00 0.20 4.81 -2.00 -3.43 114.58 114.76 2fpr h GLU 152 Ca 0.44 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2fpr h GLU 152 Cb 1.11 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2fpr h GLU 152 CO -0.15 1.18 -1.22 0.25 -0.73 0.00 0.00 179.01 178.34 2fpr n THR 153 N -3.79 0.00 -2.86 0.32 -2.24 -1.05 -4.78 114.28 99.88 2fpr n THR 153 Ca -0.30 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 2fpr n THR 153 Cb 0.94 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 2fpr n THR 153 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2fpr n LEU 154 N -1.70 -2.69 0.00 3.22 7.94 -0.43 -4.95 117.00 118.39 2fpr n LEU 154 Ca -0.01 -3.34 -0.10 0.00 -1.11 0.00 0.00 56.01 51.45 2fpr n LEU 154 Cb 0.22 0.75 0.01 0.00 0.53 0.00 0.00 43.42 44.94 2fpr n LEU 154 CO 0.20 1.96 0.08 -0.46 -1.11 0.00 0.00 177.39 178.06 2fpr n ASN 155 N 2.38 1.40 -0.01 1.96 0.23 -1.08 -1.24 115.26 118.90 2fpr n ASN 155 Ca 0.17 -1.75 -0.11 0.00 -0.53 0.00 0.00 54.58 52.36 2fpr n ASN 155 Cb 0.57 -0.09 -0.05 0.00 -2.08 0.00 0.00 39.78 38.14 2fpr n ASN 155 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 2fpr h TRP 156 N 0.35 0.14 -0.95 -2.53 4.06 -1.88 -0.51 115.95 114.63 2fpr h TRP 156 Ca -0.14 0.00 0.11 0.00 2.06 0.00 0.00 58.89 60.92 2fpr h TRP 156 Cb 0.54 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.58 2fpr h TRP 156 CO 0.00 0.10 0.61 -1.35 -3.56 0.00 0.00 178.44 174.24 2fpr h PRO 157 N 0.14 0.92 -0.41 0.49 0.11 -1.86 0.14 132.00 131.53 2fpr h PRO 157 Ca 0.04 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2fpr h PRO 157 Cb -0.00 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 2fpr h PRO 157 CO -0.01 0.61 -0.06 0.52 -0.21 0.00 0.00 178.00 178.85 2fpr h MET 158 N 0.94 0.76 -0.49 1.05 2.86 -1.78 -1.86 114.93 116.42 2fpr h MET 158 Ca 0.45 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 2fpr h MET 158 Cb 0.45 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2fpr h MET 158 CO -0.22 0.87 0.11 0.82 1.06 0.00 0.00 176.91 179.56 2fpr h ILE 159 N 0.58 1.24 -0.34 -1.22 2.04 -0.55 -0.38 117.51 118.88 2fpr h ILE 159 Ca 0.11 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2fpr h ILE 159 Cb 0.57 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2fpr h ILE 159 CO 0.03 0.31 0.19 1.23 0.00 0.00 0.00 178.15 179.91 2fpr h GLY 160 N 0.67 0.47 0.86 5.37 0.00 -0.66 -1.08 103.07 108.71 2fpr h GLY 160 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2fpr h GLY 160 CO 0.00 0.12 0.05 -2.09 0.00 0.00 0.00 176.54 174.63 2fpr h GLU 161 N 0.39 0.23 -0.37 4.80 4.81 -1.23 -3.03 114.58 120.18 2fpr h GLU 161 Ca 0.14 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2fpr h GLU 161 Cb 0.02 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2fpr h GLU 161 CO -0.08 0.34 0.24 0.37 -0.73 0.00 0.00 179.01 179.15 2fpr h GLN 162 N 0.07 0.47 -0.03 1.92 4.15 -0.77 -3.06 115.11 117.86 2fpr h GLN 162 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2fpr h GLN 162 Cb 0.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.78 2fpr h GLN 162 CO -0.00 0.31 0.00 1.28 -1.93 0.00 0.00 178.83 178.49 2fpr n LEU 163 N -4.84 0.92 -0.01 -2.39 4.32 -0.43 -5.10 117.00 109.47 2fpr n LEU 163 Ca 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 2fpr n LEU 163 Cb 0.03 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2fpr n LEU 163 CO 0.34 0.17 0.25 0.35 -1.22 0.00 0.00 177.39 177.28