#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jud s ILE 4 N 0.00 4.78 -0.62 -3.48 -1.09 -1.26 -4.46 121.20 115.07 1jud s ILE 4 Ca 0.00 1.82 0.12 0.00 -2.23 0.00 0.00 60.65 60.36 1jud s ILE 4 Cb 0.00 -4.22 -0.12 0.00 -1.58 0.00 0.00 42.46 36.53 1jud s ILE 4 CO 0.00 -0.07 0.54 0.29 -1.23 0.00 0.00 174.94 174.46 1jud n LYS 5 N 5.77 2.87 -3.76 2.79 4.76 0.31 -5.00 118.16 125.91 1jud n LYS 5 Ca 0.08 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 1jud n LYS 5 Cb 0.47 -1.09 -0.05 0.00 -1.84 0.00 0.00 35.03 32.53 1jud n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1jud s GLY 6 N -2.12 -0.03 -0.04 0.72 0.00 -0.83 -2.01 107.32 103.01 1jud s GLY 6 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1jud s GLY 6 CO 0.49 -0.48 -0.04 -0.42 0.00 0.00 0.00 173.10 172.65 1jud s ILE 7 N -3.86 0.49 -0.26 0.90 1.01 0.77 -0.49 121.20 119.76 1jud s ILE 7 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1jud s ILE 7 Cb 0.02 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1jud s ILE 7 CO -0.07 0.21 0.09 0.00 0.00 0.00 0.00 174.94 175.16 1jud s ALA 8 N 0.79 3.19 0.10 9.38 0.00 0.57 -1.25 121.76 134.54 1jud s ALA 8 Ca -0.10 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1jud s ALA 8 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1jud s ALA 8 CO 0.00 -0.57 0.19 -0.06 0.00 0.00 0.00 175.76 175.32 1jud s PHE 9 N 1.62 3.40 0.35 0.00 0.08 0.54 -0.94 117.98 123.02 1jud s PHE 9 Ca 0.06 0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.27 1jud s PHE 9 Cb -0.15 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1jud s PHE 9 CO 0.04 0.55 0.55 0.34 -0.10 0.00 0.00 175.22 176.60 1jud s ASP 10 N -2.72 6.25 -0.04 1.36 2.15 -1.00 -1.49 116.67 121.18 1jud s ASP 10 Ca 0.33 0.40 -0.03 0.00 0.43 0.00 0.00 52.55 53.68 1jud s ASP 10 Cb -0.12 -1.96 -0.01 0.00 -0.30 0.00 0.00 42.92 40.53 1jud s ASP 10 CO 0.26 -0.32 -0.06 -0.11 -0.17 0.00 0.00 175.17 174.77 1jud n LEU 11 N -1.78 0.42 -4.67 -1.34 7.94 -1.26 -4.08 117.00 112.22 1jud n LEU 11 Ca -0.04 0.18 -0.43 0.00 -1.11 0.00 0.00 56.01 54.61 1jud n LEU 11 Cb 0.56 -0.56 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1jud n LEU 11 CO 0.48 -0.47 0.83 -0.31 -1.11 0.00 0.00 177.39 176.81 1jud s TYR 12 N -1.36 3.42 0.00 1.96 2.02 -1.26 -1.71 117.35 120.41 1jud s TYR 12 Ca -0.05 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 1jud s TYR 12 Cb 0.01 -3.20 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1jud s TYR 12 CO 0.08 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 1jud n GLY 13 N 3.26 3.22 0.13 0.71 0.00 0.24 -4.81 105.19 107.94 1jud n GLY 13 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1jud n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jud n THR 14 N -1.38 1.53 -0.08 2.61 -1.04 -1.23 -4.78 114.28 109.92 1jud n THR 14 Ca 0.00 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.05 61.56 1jud n THR 14 Cb 0.00 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 66.52 1jud n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jud n LEU 15 N -4.30 1.20 -4.74 -4.42 4.77 -0.83 -4.90 117.00 103.78 1jud n LEU 15 Ca -0.48 0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.32 1jud n LEU 15 Cb 0.83 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1jud n LEU 15 CO 0.07 0.35 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.85 1jud s PHE 16 N -2.28 3.28 -0.16 -1.77 0.40 -0.70 -1.07 117.98 115.68 1jud s PHE 16 Ca -0.22 0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 56.17 1jud s PHE 16 Cb 0.08 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1jud s PHE 16 CO 0.28 0.55 0.73 0.34 0.70 0.00 0.00 175.22 177.82 1jud s ASP 17 N -0.96 6.86 0.00 1.36 -1.08 -0.35 -0.59 116.67 121.91 1jud s ASP 17 Ca 0.14 1.05 0.27 0.00 -0.52 0.00 0.00 52.55 53.49 1jud s ASP 17 Cb -0.12 -2.41 0.86 0.00 -1.46 0.00 0.00 42.92 39.80 1jud s ASP 17 CO 0.03 -0.31 1.63 1.33 0.52 0.00 0.00 175.17 178.38 1jud n VAL 18 N 4.56 0.00 0.19 1.11 0.24 -1.26 -4.18 118.33 119.00 1jud n VAL 18 Ca 0.01 -0.10 0.18 0.00 -2.04 0.00 0.00 64.34 62.39 1jud n VAL 18 Cb 0.50 0.26 0.73 0.00 -1.47 0.00 0.00 33.84 33.85 1jud n VAL 18 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1jud h HIS 19 N 0.96 0.00 -0.68 6.34 6.17 -1.97 0.11 115.15 126.08 1jud h HIS 19 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 1jud h HIS 19 Cb 0.47 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.36 1jud h HIS 19 CO 0.00 0.00 0.43 1.03 0.71 0.00 0.00 177.93 180.10 1jud h SER 20 N 0.00 0.73 -0.36 3.26 0.87 -1.97 -2.41 113.55 113.67 1jud h SER 20 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1jud h SER 20 Cb 1.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1jud h SER 20 CO -0.00 0.51 0.18 0.58 -0.53 0.00 0.00 176.83 177.57 1jud h VAL 21 N 0.87 1.15 -0.43 2.23 2.07 -1.06 -2.42 116.25 118.66 1jud h VAL 21 Ca 0.26 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1jud h VAL 21 Cb -0.03 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1jud h VAL 21 CO -0.09 0.17 0.25 0.58 0.02 0.00 0.00 177.57 178.51 1jud h VAL 22 N 0.56 1.04 -0.39 2.57 2.07 -1.52 -0.75 116.25 119.84 1jud h VAL 22 Ca 0.14 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1jud h VAL 22 Cb 0.09 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1jud h VAL 22 CO -0.02 0.09 0.06 1.23 0.02 0.00 0.00 177.57 178.96 1jud h GLY 23 N 0.50 0.69 2.00 2.17 0.00 -1.40 -1.77 103.07 105.26 1jud h GLY 23 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1jud h GLY 23 CO -0.08 0.43 -0.09 -0.09 0.00 0.00 0.00 176.54 176.70 1jud h ARG 24 N 0.49 0.00 0.00 4.80 2.43 -1.09 -1.71 114.38 119.30 1jud h ARG 24 Ca 0.12 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 1jud h ARG 24 Cb 0.36 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1jud h ARG 24 CO 0.01 0.09 -0.70 0.00 -1.51 0.00 0.00 179.97 177.86 1jud h ASP 26 N -0.01 0.00 0.27 0.00 3.58 -0.75 0.52 116.42 120.04 1jud h ASP 26 Ca -0.09 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.21 1jud h ASP 26 Cb 1.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1jud h ASP 26 CO 0.14 0.18 -0.62 -0.33 -2.88 0.00 0.00 179.24 175.73 1jud h GLU 27 N 0.00 0.34 -0.02 0.28 5.08 -1.37 -1.26 114.58 117.62 1jud h GLU 27 Ca -0.00 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 57.96 1jud h GLU 27 Cb 0.32 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1jud h GLU 27 CO 0.02 0.85 -0.61 0.00 -1.00 0.00 0.00 179.01 178.27 1jud h ALA 28 N 1.10 0.10 -2.89 3.43 0.00 -1.27 -3.39 119.26 116.32 1jud h ALA 28 Ca -0.01 -0.56 -0.61 0.00 0.00 0.00 0.00 54.91 53.73 1jud h ALA 28 Cb 1.14 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1jud h ALA 28 CO 0.10 0.37 -0.75 -0.06 0.00 0.00 0.00 179.25 178.91 1jud s PHE 29 N -3.30 2.09 -0.09 0.00 0.08 0.09 -5.11 117.98 111.75 1jud s PHE 29 Ca -0.13 -2.56 -0.38 0.00 0.12 0.00 0.00 56.93 53.99 1jud s PHE 29 Cb 0.04 -1.85 -0.16 0.00 -0.57 0.00 0.00 43.02 40.48 1jud s PHE 29 CO 0.83 -0.75 1.59 -2.30 -0.10 0.00 0.00 175.22 174.48 1jud n PRO 30 N 3.16 1.32 0.00 0.24 -0.02 -0.48 -1.77 135.00 137.45 1jud n PRO 30 Ca 0.14 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1jud n PRO 30 Cb 0.37 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1jud n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jud n GLY 31 N 3.50 3.24 0.02 -1.23 0.00 -1.26 -4.86 105.19 104.60 1jud n GLY 31 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1jud n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jud n ARG 32 N -2.00 0.33 -0.21 1.61 5.12 -0.73 -4.74 116.66 116.04 1jud n ARG 32 Ca 0.00 -0.05 -0.02 0.00 -1.93 0.00 0.00 57.85 55.85 1jud n ARG 32 Cb 0.00 -1.56 -0.00 0.00 -1.16 0.00 0.00 32.46 29.74 1jud n ARG 32 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jud n GLY 33 N 1.36 -1.19 0.33 -0.13 0.00 -1.23 -0.61 105.19 103.73 1jud n GLY 33 Ca 0.01 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.61 1jud n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jud h ARG 34 N 0.00 0.97 0.13 1.61 3.08 -1.85 -1.88 114.38 116.45 1jud h ARG 34 Ca 0.15 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1jud h ARG 34 Cb 0.28 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jud h ARG 34 CO -0.52 0.76 -0.06 0.93 -1.07 0.00 0.00 179.97 180.01 1jud h GLU 35 N 0.97 -0.17 0.21 0.04 5.08 -1.20 -2.07 114.58 117.43 1jud h GLU 35 Ca 0.24 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1jud h GLU 35 Cb 0.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jud h GLU 35 CO -0.03 0.14 -0.26 0.82 -1.00 0.00 0.00 179.01 178.69 1jud h ILE 36 N -0.50 0.45 -0.43 3.13 2.04 -1.23 -2.33 117.51 118.63 1jud h ILE 36 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1jud h ILE 36 Cb 0.40 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1jud h ILE 36 CO 0.03 0.00 0.11 0.77 0.00 0.00 0.00 178.15 179.06 1jud h SER 37 N -0.52 0.59 0.10 1.72 4.64 -1.42 -0.31 113.55 118.35 1jud h SER 37 Ca 0.00 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1jud h SER 37 Cb 0.50 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1jud h SER 37 CO -0.08 0.59 -0.05 0.00 -0.87 0.00 0.00 176.83 176.42 1jud h ALA 38 N 1.49 -0.14 -0.25 5.18 0.00 -1.16 -2.44 119.26 121.95 1jud h ALA 38 Ca 0.14 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1jud h ALA 38 Cb 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jud h ALA 38 CO -0.00 -0.49 -0.54 1.25 0.00 0.00 0.00 179.25 179.46 1jud h LEU 39 N -0.31 0.81 -0.98 0.00 5.85 -1.34 -3.10 115.31 116.25 1jud h LEU 39 Ca -0.01 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1jud h LEU 39 Cb 0.25 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1jud h LEU 39 CO 0.02 1.19 0.64 -0.25 -0.34 0.00 0.00 178.44 179.70 1jud h TRP 40 N 0.57 1.20 -0.32 1.25 7.01 -1.03 -1.25 115.95 123.37 1jud h TRP 40 Ca 0.01 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.89 1jud h TRP 40 Cb 1.12 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 1jud h TRP 40 CO 0.06 0.68 -0.40 -0.09 -2.79 0.00 0.00 178.44 175.90 1jud h ARG 41 N 1.23 0.78 -0.36 2.65 1.12 -1.43 -2.12 114.38 116.25 1jud h ARG 41 Ca 0.39 -0.41 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 1jud h ARG 41 Cb 0.02 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1jud h ARG 41 CO -0.13 1.04 -0.30 0.37 -3.11 0.00 0.00 179.97 177.84 1jud h GLN 42 N 0.64 0.84 -0.35 0.20 5.75 -1.38 -2.63 115.11 118.18 1jud h GLN 42 Ca 0.05 -0.42 -0.08 0.00 -0.15 0.00 0.00 58.65 58.05 1jud h GLN 42 Cb 0.96 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1jud h GLN 42 CO 0.09 1.06 -0.10 0.87 -2.65 0.00 0.00 178.83 178.10 1jud h LYS 43 N 0.63 0.60 -0.50 1.69 1.79 -1.21 0.15 116.57 119.72 1jud h LYS 43 Ca 0.06 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1jud h LYS 43 Cb 0.88 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1jud h LYS 43 CO 0.08 0.70 0.30 1.96 -1.08 0.00 0.00 179.45 181.40 1jud h GLN 44 N 0.55 0.68 0.84 3.15 4.20 -1.28 0.44 115.11 123.68 1jud h GLN 44 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1jud h GLN 44 Cb 0.51 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1jud h GLN 44 CO 0.03 0.50 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.21 1jud h LEU 45 N 0.67 -0.95 -0.67 1.46 3.38 -1.07 -2.77 115.31 115.36 1jud h LEU 45 Ca 0.18 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.32 1jud h LEU 45 Cb -0.01 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 1jud h LEU 45 CO -0.03 -0.60 0.11 -0.33 0.09 0.00 0.00 178.44 177.68 1jud h GLU 46 N -1.27 0.22 -0.53 1.13 5.08 -0.91 -1.55 114.58 116.74 1jud h GLU 46 Ca -0.11 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1jud h GLU 46 Cb 0.86 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1jud h GLU 46 CO 0.19 0.14 0.12 1.88 -1.00 0.00 0.00 179.01 180.35 1jud h TYR 47 N 0.22 0.83 -0.35 4.33 -1.99 -0.93 0.23 116.97 119.30 1jud h TYR 47 Ca 0.36 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.93 1jud h TYR 47 Cb 0.59 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1jud h TYR 47 CO -0.29 0.70 -0.14 1.79 -0.00 0.00 0.00 178.16 180.22 1jud h THR 48 N 0.78 1.28 0.34 -2.88 1.35 -1.01 -1.47 112.91 111.30 1jud h THR 48 Ca 0.17 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1jud h THR 48 Cb 0.29 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1jud h THR 48 CO -0.00 0.41 -0.16 -0.50 -0.25 0.00 0.00 175.52 175.01 1jud h TRP 49 N 0.50 -0.43 -0.98 4.73 6.55 -1.03 -2.41 115.95 122.89 1jud h TRP 49 Ca 0.08 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.92 1jud h TRP 49 Cb 0.67 0.14 -0.05 0.00 -0.86 0.00 0.00 29.16 29.06 1jud h TRP 49 CO 0.06 -0.13 0.64 -0.07 -1.05 0.00 0.00 178.44 177.89 1jud h LEU 50 N -0.69 1.12 -0.82 -4.49 3.38 -0.60 -1.61 115.31 111.60 1jud h LEU 50 Ca -0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1jud h LEU 50 Cb 0.48 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1jud h LEU 50 CO 0.08 0.81 -0.49 0.03 0.09 0.00 0.00 178.44 178.96 1jud h ARG 51 N 1.32 0.23 -0.44 1.13 3.08 -1.30 -2.21 114.38 116.19 1jud h ARG 51 Ca 0.36 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 1jud h ARG 51 Cb -0.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1jud h ARG 51 CO -0.08 0.68 -0.04 0.77 -1.07 0.00 0.00 179.97 180.23 1jud h SER 52 N 0.19 0.79 0.03 7.04 0.02 -0.87 0.14 113.55 120.89 1jud h SER 52 Ca 0.01 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 1jud h SER 52 Cb 0.94 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1jud h SER 52 CO 0.08 0.93 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.31 1jud h LEU 53 N 0.64 0.42 0.00 5.07 3.38 -1.22 -2.86 115.31 120.74 1jud h LEU 53 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jud h LEU 53 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1jud h LEU 53 CO 0.03 0.72 -0.25 0.23 0.09 0.00 0.00 178.44 179.26 1jud n MET 54 N -4.09 0.09 -3.00 1.13 2.81 -0.84 -4.94 117.12 108.29 1jud n MET 54 Ca -0.01 0.05 -0.12 0.00 -1.81 0.00 0.00 57.70 55.82 1jud n MET 54 Cb 0.44 -1.58 0.04 0.00 -0.71 0.00 0.00 33.22 31.40 1jud n MET 54 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1jud n ASN 55 N -1.73 -3.80 -3.19 7.83 5.15 -0.31 -4.99 115.26 114.21 1jud n ASN 55 Ca 0.06 -0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 53.51 1jud n ASN 55 Cb 0.37 -2.84 -0.06 0.00 -0.53 0.00 0.00 39.78 36.72 1jud n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jud n ARG 56 N -2.78 1.91 -2.18 1.20 5.12 0.35 -5.04 116.66 115.24 1jud n ARG 56 Ca -0.03 -4.07 -0.35 0.00 -1.93 0.00 0.00 57.85 51.46 1jud n ARG 56 Cb 0.54 -1.87 0.01 0.00 -1.16 0.00 0.00 32.46 29.98 1jud n ARG 56 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1jud s TYR 57 N -2.39 2.59 -0.04 -1.55 5.04 -1.26 -4.78 117.35 114.96 1jud s TYR 57 Ca 0.41 1.53 -0.19 0.00 -2.44 0.00 0.00 57.07 56.38 1jud s TYR 57 Cb 0.23 -3.36 0.04 0.00 0.35 0.00 0.00 41.96 39.22 1jud s TYR 57 CO -0.08 -1.78 0.42 0.14 -1.34 0.00 0.00 175.55 172.91 1jud s VAL 58 N -1.70 0.04 0.86 3.14 -7.23 -1.26 -5.13 120.40 109.11 1jud s VAL 58 Ca 0.74 -0.31 -0.10 0.00 -1.81 0.00 0.00 61.98 60.50 1jud s VAL 58 Cb -0.26 -0.72 0.11 0.00 0.56 0.00 0.00 36.38 36.07 1jud s VAL 58 CO 0.29 -0.17 1.12 0.54 -0.31 0.00 0.00 175.10 176.57 1jud s ASN 59 N -1.16 3.53 0.49 4.85 4.22 -1.26 -4.77 114.94 120.84 1jud s ASN 59 Ca -0.12 2.03 0.18 0.00 -2.14 0.00 0.00 52.86 52.81 1jud s ASN 59 Cb -0.04 -2.54 1.22 0.00 1.28 0.00 0.00 41.25 41.18 1jud s ASN 59 CO 0.05 -2.69 2.05 0.15 -2.04 0.00 0.00 177.10 174.63 1jud h PHE 60 N -1.58 0.14 0.01 1.54 3.57 -1.95 -2.06 116.94 116.60 1jud h PHE 60 Ca -0.43 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1jud h PHE 60 Cb 1.25 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1jud h PHE 60 CO 0.53 0.07 -0.00 0.37 -2.23 0.00 0.00 178.31 177.05 1jud h GLN 61 N 0.14 -0.01 -0.13 1.11 4.15 -1.91 0.17 115.11 118.63 1jud h GLN 61 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1jud h GLN 61 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1jud h GLN 61 CO -0.02 0.02 0.08 0.37 -1.93 0.00 0.00 178.83 177.35 1jud h GLN 62 N -0.05 0.17 -0.45 1.69 5.75 -1.76 -1.55 115.11 118.92 1jud h GLN 62 Ca -0.00 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.57 1jud h GLN 62 Cb 0.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1jud h GLN 62 CO 0.00 0.14 0.31 0.00 -2.65 0.00 0.00 178.83 176.63 1jud h ALA 63 N 1.02 2.08 -0.11 3.38 0.00 -1.12 -0.44 119.26 124.07 1jud h ALA 63 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1jud h ALA 63 Cb 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jud h ALA 63 CO -0.01 -0.18 -0.52 1.15 0.00 0.00 0.00 179.25 179.69 1jud h THR 64 N 0.26 1.36 -0.20 0.00 2.02 0.08 -2.44 112.91 113.99 1jud h THR 64 Ca 0.21 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 1jud h THR 64 Cb 0.47 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1jud h THR 64 CO -0.04 0.55 0.07 -0.33 0.37 0.00 0.00 175.52 176.14 1jud h GLU 65 N 0.16 0.31 -0.52 6.66 5.08 -0.42 -2.02 114.58 123.84 1jud h GLU 65 Ca -0.03 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1jud h GLU 65 Cb 1.16 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1jud h GLU 65 CO 0.11 0.40 0.26 -0.44 -1.00 0.00 0.00 179.01 178.34 1jud h ASP 66 N 0.16 0.37 -0.22 1.42 3.32 -1.19 0.63 116.42 120.92 1jud h ASP 66 Ca 0.07 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1jud h ASP 66 Cb 0.21 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1jud h ASP 66 CO -0.00 0.26 0.11 0.00 -1.72 0.00 0.00 179.24 177.89 1jud h ALA 67 N 1.28 1.72 0.05 3.45 0.00 -1.28 -1.45 119.26 123.03 1jud h ALA 67 Ca 0.23 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1jud h ALA 67 Cb 0.14 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jud h ALA 67 CO -0.16 0.23 -0.65 1.25 0.00 0.00 0.00 179.25 179.92 1jud h LEU 68 N 0.36 0.49 -0.45 0.00 5.85 -0.52 -2.64 115.31 118.40 1jud h LEU 68 Ca 0.09 -0.83 0.07 0.00 0.84 0.00 0.00 57.88 58.06 1jud h LEU 68 Cb 0.06 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1jud h LEU 68 CO -0.01 1.26 0.10 -0.09 -0.34 0.00 0.00 178.44 179.36 1jud h ARG 69 N -0.22 0.23 -0.30 1.25 2.43 -0.67 -0.88 114.38 116.21 1jud h ARG 69 Ca -0.09 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1jud h ARG 69 Cb 1.41 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1jud h ARG 69 CO 0.13 0.15 0.12 0.35 -1.51 0.00 0.00 179.97 179.21 1jud h PHE 70 N 0.23 0.46 -0.36 2.20 3.04 -1.36 -1.72 116.94 119.44 1jud h PHE 70 Ca 0.22 -0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1jud h PHE 70 Cb 0.27 -0.14 -0.07 0.00 2.56 0.00 0.00 35.95 38.58 1jud h PHE 70 CO -0.21 0.45 -0.07 1.15 -2.02 0.00 0.00 178.31 177.61 1jud h THR 71 N 0.34 0.66 -0.33 4.41 2.02 -0.98 0.20 112.91 119.24 1jud h THR 71 Ca 0.10 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1jud h THR 71 Cb 0.18 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1jud h THR 71 CO -0.01 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.71 1jud h ARG 73 N 0.47 0.97 0.00 0.00 2.43 -0.94 0.75 114.38 118.06 1jud h ARG 73 Ca 0.07 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1jud h ARG 73 Cb 0.72 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1jud h ARG 73 CO 0.05 0.73 -0.46 1.25 -1.51 0.00 0.00 179.97 180.03 1jud h HIS 74 N 0.97 0.00 -0.00 2.20 2.76 -0.44 -3.09 115.15 117.55 1jud h HIS 74 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1jud h HIS 74 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1jud h HIS 74 CO 0.01 0.46 -0.59 1.28 -1.30 0.00 0.00 177.93 177.79 1jud n LEU 75 N -3.80 0.74 0.00 0.26 4.77 -0.55 -4.95 117.00 113.47 1jud n LEU 75 Ca -0.01 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1jud n LEU 75 Cb 0.51 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1jud n LEU 75 CO 0.39 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1jud n GLY 76 N 1.48 0.57 3.86 -0.72 0.00 -0.14 -5.05 105.19 105.18 1jud n GLY 76 Ca 0.06 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1jud n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jud s LEU 77 N 0.00 4.43 -0.32 0.99 1.02 0.07 -5.02 118.68 119.86 1jud s LEU 77 Ca 0.00 0.78 -0.17 0.00 0.02 0.00 0.00 54.13 54.76 1jud s LEU 77 Cb 0.00 -2.54 -0.02 0.00 0.02 0.00 0.00 46.19 43.65 1jud s LEU 77 CO 0.00 0.31 0.46 -0.62 0.02 0.00 0.00 176.35 176.52 1jud s ASP 78 N -1.24 6.30 -0.30 2.29 2.15 -1.26 -4.11 116.67 120.49 1jud s ASP 78 Ca 0.24 0.10 -0.06 0.00 0.43 0.00 0.00 52.55 53.26 1jud s ASP 78 Cb -0.15 -2.25 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1jud s ASP 78 CO 0.12 -0.36 0.06 -0.22 -0.17 0.00 0.00 175.17 174.60 1jud s LEU 79 N 2.25 3.92 0.50 -1.34 2.96 -1.26 -5.10 118.68 120.62 1jud s LEU 79 Ca 0.17 -0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 53.16 1jud s LEU 79 Cb -0.16 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1jud s LEU 79 CO 0.12 -0.23 0.74 1.51 -1.32 0.00 0.00 176.35 177.17 1jud s ASP 80 N 1.43 5.64 0.13 3.68 -4.77 -1.26 -4.95 116.67 116.57 1jud s ASP 80 Ca 0.00 0.30 -0.19 0.00 -3.30 0.00 0.00 52.55 49.37 1jud s ASP 80 Cb -0.18 -1.41 -0.02 0.00 -1.09 0.00 0.00 42.92 40.22 1jud s ASP 80 CO 0.01 -0.88 1.74 0.00 0.70 0.00 0.00 175.17 176.74 1jud h ALA 81 N 0.20 0.24 -0.02 2.11 0.00 -1.99 -1.77 119.26 118.03 1jud h ALA 81 Ca -0.45 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1jud h ALA 81 Cb 1.26 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1jud h ALA 81 CO 0.57 -0.37 -0.44 -0.09 0.00 0.00 0.00 179.25 178.92 1jud h ARG 82 N 0.15 -0.56 0.00 0.00 2.43 -2.00 -1.40 114.38 112.99 1jud h ARG 82 Ca 0.10 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1jud h ARG 82 Cb 0.09 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1jud h ARG 82 CO -0.13 -0.37 -0.11 1.15 -1.51 0.00 0.00 179.97 179.00 1jud h THR 83 N -0.58 1.05 -0.35 0.20 2.02 -1.94 -2.56 112.91 110.75 1jud h THR 83 Ca 0.05 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.72 1jud h THR 83 Cb 0.66 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1jud h THR 83 CO -0.34 0.11 -0.32 -0.09 0.37 0.00 0.00 175.52 175.25 1jud h ARG 84 N 0.00 0.76 -0.27 6.66 2.43 -0.38 -2.63 114.38 120.94 1jud h ARG 84 Ca -0.00 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 58.72 1jud h ARG 84 Cb 0.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1jud h ARG 84 CO 0.01 0.97 -0.18 0.77 -1.51 0.00 0.00 179.97 180.04 1jud h SER 85 N 0.64 0.63 0.07 -3.80 0.02 -0.90 -2.67 113.55 107.54 1jud h SER 85 Ca 0.07 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1jud h SER 85 Cb 0.85 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1jud h SER 85 CO 0.07 0.93 -0.26 0.74 -1.14 0.00 0.00 176.83 177.17 1jud h THR 86 N 0.34 0.42 -0.83 -2.27 2.02 -1.41 0.18 112.91 111.35 1jud h THR 86 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1jud h THR 86 Cb 0.72 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1jud h THR 86 CO 0.05 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.42 1jud h LEU 87 N -0.44 0.88 -0.70 2.58 3.38 -1.52 -1.41 115.31 118.08 1jud h LEU 87 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1jud h LEU 87 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jud h LEU 87 CO -0.18 0.60 -0.40 0.00 0.09 0.00 0.00 178.44 178.55 1jud h ASP 89 N 0.44 0.00 -0.13 0.00 3.32 0.40 -3.01 116.42 117.44 1jud h ASP 89 Ca 0.04 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1jud h ASP 89 Cb 0.89 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1jud h ASP 89 CO 0.08 0.09 0.19 0.00 -1.72 0.00 0.00 179.24 177.88 1jud h ALA 90 N 1.91 1.62 0.00 3.45 0.00 -1.01 -0.90 119.26 124.32 1jud h ALA 90 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jud h ALA 90 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jud h ALA 90 CO 0.01 -0.25 0.00 1.88 0.00 0.00 0.00 179.25 180.89 1jud h TYR 91 N 0.00 0.00 -0.20 0.00 0.05 -1.70 -3.11 116.97 112.01 1jud h TYR 91 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1jud h TYR 91 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1jud h TYR 91 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 1jud n LEU 92 N -2.97 1.55 -2.67 3.88 4.32 -0.34 -4.03 117.00 116.74 1jud n LEU 92 Ca 0.03 -0.69 -0.07 0.00 -0.02 0.00 0.00 56.01 55.26 1jud n LEU 92 Cb 0.45 -0.13 0.04 0.00 -1.62 0.00 0.00 43.42 42.16 1jud n LEU 92 CO 0.31 0.34 -0.01 -1.14 -1.22 0.00 0.00 177.39 175.68 1jud n ARG 93 N 0.27 1.90 -2.79 3.23 0.00 -1.18 -4.37 116.66 113.73 1jud n ARG 93 Ca 0.15 -3.58 -0.30 0.00 -0.00 0.00 0.00 57.85 54.11 1jud n ARG 93 Cb 0.29 -1.63 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 1jud n ARG 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1jud s LEU 94 N -3.57 3.79 -0.10 6.15 1.43 -1.26 -5.05 118.68 120.08 1jud s LEU 94 Ca 0.31 1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1jud s LEU 94 Cb 0.38 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1jud s LEU 94 CO -0.02 -0.43 0.06 0.00 0.23 0.00 0.00 176.35 176.19 1jud s ALA 95 N -2.43 3.52 0.84 4.21 0.00 -1.26 -4.74 121.76 121.91 1jud s ALA 95 Ca 0.52 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1jud s ALA 95 Cb -0.10 -1.67 0.10 0.00 0.00 0.00 0.00 23.12 21.45 1jud s ALA 95 CO 0.32 0.60 1.13 -1.25 0.00 0.00 0.00 175.76 176.57 1jud s PRO 96 N -0.97 1.71 0.47 0.00 0.04 -1.26 -1.21 135.00 133.78 1jud s PRO 96 Ca 0.14 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.35 1jud s PRO 96 Cb -0.12 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1jud s PRO 96 CO 0.03 -1.82 1.11 -0.06 0.04 0.00 0.00 177.00 176.30 1jud s PHE 97 N -3.30 2.93 0.24 0.56 0.08 -0.23 -4.69 117.98 113.57 1jud s PHE 97 Ca 0.62 1.57 -0.08 0.00 0.12 0.00 0.00 56.93 59.16 1jud s PHE 97 Cb -0.14 -3.25 0.41 0.00 -0.57 0.00 0.00 43.02 39.47 1jud s PHE 97 CO 0.53 -1.21 1.63 0.66 -0.10 0.00 0.00 175.22 176.73 1jud h SER 98 N 1.85 -0.39 0.99 1.36 4.64 -1.94 -0.69 113.55 119.37 1jud h SER 98 Ca -0.49 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1jud h SER 98 Cb 1.24 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1jud h SER 98 CO 0.60 -0.19 0.00 1.05 -0.87 0.00 0.00 176.83 177.42 1jud h GLU 99 N 0.09 0.00 0.21 4.77 9.09 -1.98 -3.37 114.58 123.39 1jud h GLU 99 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1jud h GLU 99 Cb 0.69 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.76 1jud h GLU 99 CO -0.67 0.00 -0.44 0.28 0.05 0.00 0.00 179.01 178.23 1jud h VAL 100 N 0.00 0.00 -0.38 -1.06 2.07 -1.47 -2.04 116.25 113.36 1jud h VAL 100 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jud h VAL 100 Cb 0.50 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1jud h VAL 100 CO 0.00 0.00 -0.54 -0.65 0.02 0.00 0.00 177.57 176.40 1jud h PRO 101 N -0.71 -0.39 -0.67 1.57 0.11 -1.74 -0.13 132.00 130.04 1jud h PRO 101 Ca -0.02 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.17 1jud h PRO 101 Cb 0.67 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 1jud h PRO 101 CO -0.17 -0.26 0.39 -0.44 -0.21 0.00 0.00 178.00 177.30 1jud h ASP 102 N -0.41 0.59 -0.67 -2.05 5.19 -1.82 -1.61 116.42 115.64 1jud h ASP 102 Ca 0.08 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1jud h ASP 102 Cb 0.60 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1jud h ASP 102 CO -0.58 0.39 0.33 0.28 -3.12 0.00 0.00 179.24 176.53 1jud h SER 103 N 0.72 0.90 -0.34 6.45 0.02 -0.64 0.13 113.55 120.79 1jud h SER 103 Ca 0.29 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 1jud h SER 103 Cb 0.15 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1jud h SER 103 CO -0.16 0.76 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.83 1jud h LEU 104 N 0.99 0.94 -0.68 5.07 3.38 -0.60 -1.59 115.31 122.82 1jud h LEU 104 Ca 0.24 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1jud h LEU 104 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1jud h LEU 104 CO -0.03 1.23 0.22 -0.09 0.09 0.00 0.00 178.44 179.86 1jud h ARG 105 N 0.66 1.05 -0.47 1.13 2.43 -0.90 -1.71 114.38 116.59 1jud h ARG 105 Ca 0.05 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.86 1jud h ARG 105 Cb 0.98 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1jud h ARG 105 CO 0.09 0.91 -0.24 1.49 -1.51 0.00 0.00 179.97 180.72 1jud h GLU 106 N 0.99 0.97 -0.14 0.20 4.57 -0.88 -1.66 114.58 118.63 1jud h GLU 106 Ca 0.22 -0.42 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 1jud h GLU 106 Cb 0.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1jud h GLU 106 CO -0.01 1.09 -0.38 -0.07 -1.18 0.00 0.00 179.01 178.47 1jud h LEU 107 N 0.83 0.31 -0.69 1.64 3.38 -1.09 -1.86 115.31 117.82 1jud h LEU 107 Ca 0.10 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1jud h LEU 107 Cb 0.81 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1jud h LEU 107 CO 0.07 0.66 -0.63 0.50 0.09 0.00 0.00 178.44 179.13 1jud h LYS 108 N 0.25 0.08 -0.80 1.13 3.64 -1.19 -2.51 116.57 117.17 1jud h LYS 108 Ca 0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1jud h LYS 108 Cb 0.78 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1jud h LYS 108 CO 0.06 0.69 0.44 0.00 -2.27 0.00 0.00 179.45 178.37 1jud h ARG 109 N 0.06 1.11 0.00 1.90 -0.00 -0.53 -0.31 114.38 116.61 1jud h ARG 109 Ca -0.01 -0.12 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1jud h ARG 109 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.88 1jud h ARG 109 CO 0.09 0.81 0.00 0.54 0.00 0.00 0.00 179.97 181.41 1jud n ARG 110 N -4.35 0.70 -1.91 0.04 1.74 -0.82 -4.89 116.66 107.17 1jud n ARG 110 Ca 0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.09 1jud n ARG 110 Cb 0.09 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1jud n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jud n GLY 111 N 0.33 0.28 3.85 -0.13 0.00 -0.13 -5.04 105.19 104.35 1jud n GLY 111 Ca 0.11 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1jud n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jud s LEU 112 N -2.07 4.37 -0.12 0.99 1.43 -1.17 -5.00 118.68 117.11 1jud s LEU 112 Ca 0.00 0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 1jud s LEU 112 Cb 0.00 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1jud s LEU 112 CO 0.00 0.17 0.92 -0.54 0.23 0.00 0.00 176.35 177.13 1jud s LYS 113 N -1.76 4.39 -0.03 1.70 1.02 -0.85 -4.67 119.74 119.53 1jud s LYS 113 Ca 0.33 1.21 0.02 0.00 0.02 0.00 0.00 55.97 57.56 1jud s LYS 113 Cb -0.15 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1jud s LYS 113 CO 0.18 -0.27 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.75 1jud s LEU 114 N 1.91 3.14 0.11 3.17 1.43 -1.26 -0.16 118.68 127.01 1jud s LEU 114 Ca 0.44 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1jud s LEU 114 Cb -0.18 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1jud s LEU 114 CO 0.16 0.32 0.25 0.00 0.23 0.00 0.00 176.35 177.31 1jud s ALA 115 N -0.91 -0.37 -0.07 4.21 0.00 -0.38 -0.76 121.76 123.49 1jud s ALA 115 Ca 0.15 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1jud s ALA 115 Cb -0.11 0.57 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 1jud s ALA 115 CO 0.05 -0.56 -0.20 0.42 0.00 0.00 0.00 175.76 175.47 1jud s ILE 116 N -3.86 1.73 -0.31 0.00 1.01 -0.32 -0.34 121.20 119.12 1jud s ILE 116 Ca 0.06 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1jud s ILE 116 Cb 0.04 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 41.10 1jud s ILE 116 CO -0.10 0.49 0.02 -0.22 0.00 0.00 0.00 174.94 175.12 1jud s LEU 117 N 0.22 3.83 0.00 2.97 2.96 -0.55 0.10 118.68 128.21 1jud s LEU 117 Ca -0.11 -1.81 0.02 0.00 -0.22 0.00 0.00 54.13 52.00 1jud s LEU 117 Cb -0.15 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1jud s LEU 117 CO 0.05 -0.33 0.06 -1.20 -1.32 0.00 0.00 176.35 173.61 1jud n SER 118 N 4.44 1.97 0.06 3.68 7.64 -0.72 -4.65 113.62 126.04 1jud n SER 118 Ca -0.02 -2.60 -0.23 0.00 1.01 0.00 0.00 58.87 57.03 1jud n SER 118 Cb 0.42 0.54 -0.15 0.00 -1.01 0.00 0.00 64.21 64.01 1jud n SER 118 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1jud h ASN 119 N 1.05 0.59 -3.31 6.43 2.35 -1.95 -2.63 115.58 118.11 1jud h ASN 119 Ca -0.26 -0.93 -0.42 0.00 -0.55 0.00 0.00 56.30 54.13 1jud h ASN 119 Cb 0.90 -0.19 0.20 0.00 0.05 0.00 0.00 38.32 39.28 1jud h ASN 119 CO 0.43 1.78 0.02 -0.83 -1.65 0.00 0.00 177.43 177.17 1jud s GLY 120 N -5.13 1.51 0.81 2.83 0.00 -1.26 -4.31 107.32 101.77 1jud s GLY 120 Ca -0.17 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1jud s GLY 120 CO 0.84 0.33 1.13 -1.35 0.00 0.00 0.00 173.10 174.05 1jud s SER 121 N -3.02 3.93 0.32 1.64 1.04 -1.26 -4.59 113.70 111.75 1jud s SER 121 Ca 0.68 2.06 0.02 0.00 0.48 0.00 0.00 55.95 59.19 1jud s SER 121 Cb -0.19 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 63.92 1jud s SER 121 CO 0.61 -2.43 1.88 -0.65 0.98 0.00 0.00 173.24 173.63 1jud h PRO 122 N -1.16 0.68 -0.74 4.02 0.11 -1.92 -2.18 132.00 130.81 1jud h PRO 122 Ca -0.44 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 65.58 1jud h PRO 122 Cb 1.26 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1jud h PRO 122 CO 0.48 0.62 0.47 1.96 -0.21 0.00 0.00 178.00 181.31 1jud h GLN 123 N 0.67 0.89 -0.09 1.05 7.50 -1.98 -0.32 115.11 122.82 1jud h GLN 123 Ca 0.15 -0.05 -0.22 0.00 0.50 0.00 0.00 58.65 59.03 1jud h GLN 123 Cb 0.24 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 27.58 1jud h GLN 123 CO -0.00 0.59 -0.84 0.66 -1.50 0.00 0.00 178.83 177.74 1jud h SER 124 N 0.92 0.77 -0.59 1.46 4.64 -1.85 -2.24 113.55 116.65 1jud h SER 124 Ca 0.30 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jud h SER 124 Cb 0.01 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1jud h SER 124 CO -0.11 1.32 0.38 0.40 -0.87 0.00 0.00 176.83 177.95 1jud h ILE 125 N 0.41 1.16 -0.40 0.95 2.04 -1.09 -1.56 117.51 119.01 1jud h ILE 125 Ca -0.06 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1jud h ILE 125 Cb 1.46 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1jud h ILE 125 CO 0.16 0.15 0.22 -0.78 0.00 0.00 0.00 178.15 177.90 1jud h ASP 126 N 0.79 0.35 -0.47 1.72 3.58 -1.05 -2.83 116.42 118.53 1jud h ASP 126 Ca 0.21 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.72 1jud h ASP 126 Cb -0.08 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 1jud h ASP 126 CO -0.05 0.25 0.20 0.00 -2.88 0.00 0.00 179.24 176.77 1jud h ALA 127 N 1.18 0.58 0.27 -0.78 0.00 -0.76 0.10 119.26 119.85 1jud h ALA 127 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jud h ALA 127 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jud h ALA 127 CO -0.08 -0.17 -0.19 0.28 0.00 0.00 0.00 179.25 179.09 1jud h VAL 128 N 0.41 0.60 -0.04 0.00 2.07 -1.12 0.24 116.25 118.41 1jud h VAL 128 Ca 0.21 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.66 1jud h VAL 128 Cb 0.17 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1jud h VAL 128 CO -0.18 0.00 -0.32 -0.37 0.02 0.00 0.00 177.57 176.71 1jud h VAL 129 N -0.45 1.25 -0.11 2.57 -1.51 -1.27 -2.18 116.25 114.54 1jud h VAL 129 Ca -0.02 -1.18 -0.10 0.00 -1.23 0.00 0.00 66.70 64.17 1jud h VAL 129 Cb 0.39 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1jud h VAL 129 CO 0.01 0.34 -0.31 0.28 -1.23 0.00 0.00 177.57 176.66 1jud h SER 130 N 0.06 0.46 -0.59 4.19 0.02 -0.56 0.53 113.55 117.66 1jud h SER 130 Ca 0.01 -0.59 0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1jud h SER 130 Cb 0.61 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1jud h SER 130 CO 0.04 0.97 0.39 -0.74 -1.14 0.00 0.00 176.83 176.36 1jud h HIS 131 N -0.03 0.63 -0.11 3.45 -0.00 -0.78 0.31 115.15 118.62 1jud h HIS 131 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1jud h HIS 131 Cb 0.92 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1jud h HIS 131 CO 0.11 0.36 0.00 0.00 -0.00 0.00 0.00 177.93 178.40 1jud n ALA 132 N -2.47 2.55 -1.82 5.26 0.00 -0.84 -4.91 120.51 118.28 1jud n ALA 132 Ca 0.07 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 1jud n ALA 132 Cb 0.17 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 1jud n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jud n GLY 133 N 1.00 1.28 0.34 0.00 0.00 0.11 -4.85 105.19 103.07 1jud n GLY 133 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1jud n GLY 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jud n LEU 134 N -2.55 1.70 -0.36 0.99 4.77 0.18 -4.70 117.00 117.03 1jud n LEU 134 Ca -0.22 -0.68 -0.06 0.00 -0.03 0.00 0.00 56.01 55.02 1jud n LEU 134 Cb 0.68 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1jud n LEU 134 CO 0.31 0.34 0.46 -1.14 -1.33 0.00 0.00 177.39 176.02 1jud n ARG 135 N -0.46 -0.32 0.11 3.23 3.00 -0.76 -1.35 116.66 120.11 1jud n ARG 135 Ca 0.07 1.34 0.05 0.00 -0.00 0.00 0.00 57.85 59.31 1jud n ARG 135 Cb 0.42 -1.98 0.26 0.00 0.00 0.00 0.00 32.46 31.16 1jud n ARG 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1jud n ASP 136 N -5.18 0.25 -0.22 6.15 8.00 -1.26 -1.88 116.55 122.41 1jud n ASP 136 Ca 0.05 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.18 1jud n ASP 136 Cb 0.28 -0.49 0.43 0.00 -0.02 0.00 0.00 41.12 41.32 1jud n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jud n GLY 137 N -1.30 -0.68 3.38 0.44 0.00 -0.46 -4.89 105.19 101.68 1jud n GLY 137 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1jud n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jud s PHE 138 N -2.49 2.76 0.05 1.61 0.08 -0.79 -4.72 117.98 114.48 1jud s PHE 138 Ca 0.25 -0.58 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 1jud s PHE 138 Cb 0.19 -1.78 -0.30 0.00 -0.57 0.00 0.00 43.02 40.56 1jud s PHE 138 CO 0.51 -0.15 1.08 -0.44 -0.10 0.00 0.00 175.22 176.12 1jud h ASP 139 N 6.41 0.83 -3.85 1.36 3.32 -1.27 -3.46 116.42 119.76 1jud h ASP 139 Ca -0.29 -0.81 -0.35 0.00 0.02 0.00 0.00 57.03 55.60 1jud h ASP 139 Cb 1.20 -0.26 -0.29 0.00 0.22 0.00 0.00 39.33 40.19 1jud h ASP 139 CO 0.54 1.62 -0.76 -1.00 -1.72 0.00 0.00 179.24 177.91 1jud s HIS 140 N -2.85 0.57 -0.25 4.55 3.76 -1.14 -5.03 115.29 114.89 1jud s HIS 140 Ca -0.09 -0.11 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1jud s HIS 140 Cb 0.05 -0.40 0.05 0.00 1.11 0.00 0.00 32.58 33.40 1jud s HIS 140 CO 0.93 -0.04 -0.11 -0.51 -0.85 0.00 0.00 174.74 174.16 1jud s LEU 141 N 0.06 3.32 0.07 0.89 1.43 -1.26 -1.18 118.68 122.00 1jud s LEU 141 Ca -0.00 -1.28 0.07 0.00 -1.03 0.00 0.00 54.13 51.89 1jud s LEU 141 Cb -0.05 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1jud s LEU 141 CO -0.00 -0.17 -0.14 -0.76 0.23 0.00 0.00 176.35 175.51 1jud s LEU 142 N 1.15 2.84 0.20 1.79 1.43 0.12 -4.95 118.68 121.25 1jud s LEU 142 Ca -0.07 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1jud s LEU 142 Cb -0.19 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1jud s LEU 142 CO -0.06 0.22 -0.18 -0.55 0.23 0.00 0.00 176.35 176.02 1jud s SER 143 N -1.78 2.86 0.16 2.29 0.15 -1.26 -1.76 113.70 114.37 1jud s SER 143 Ca 0.18 -0.93 0.26 0.00 0.70 0.00 0.00 55.95 56.16 1jud s SER 143 Cb -0.11 -0.18 0.72 0.00 -1.71 0.00 0.00 66.02 64.74 1jud s SER 143 CO 0.09 -0.04 1.66 1.33 1.20 0.00 0.00 173.24 177.48 1jud n VAL 144 N -0.02 0.45 -0.30 4.45 0.24 -0.99 -4.28 118.33 117.89 1jud n VAL 144 Ca -0.11 -0.24 0.10 0.00 -2.04 0.00 0.00 64.34 62.05 1jud n VAL 144 Cb 0.58 -0.43 0.23 0.00 -1.47 0.00 0.00 33.84 32.76 1jud n VAL 144 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1jud h ASP 145 N 0.00 -0.34 -0.83 -1.34 3.58 -1.84 -0.76 116.42 114.89 1jud h ASP 145 Ca 0.00 0.23 0.17 0.00 0.42 0.00 0.00 57.03 57.85 1jud h ASP 145 Cb 0.71 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 42.09 1jud h ASP 145 CO 0.00 -0.24 0.55 -0.65 -2.88 0.00 0.00 179.24 176.02 1jud h PRO 146 N 0.09 0.41 -0.02 0.28 0.11 -1.96 -1.47 132.00 129.45 1jud h PRO 146 Ca 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1jud h PRO 146 Cb 0.99 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1jud h PRO 146 CO -0.77 0.27 -0.08 1.33 -0.21 0.00 0.00 178.00 178.55 1jud n VAL 147 N -4.49 0.00 -2.79 3.15 0.24 -0.30 -4.96 118.33 109.17 1jud n VAL 147 Ca 0.17 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 62.02 1jud n VAL 147 Cb 0.60 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 1jud n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jud n GLN 148 N 0.21 -2.96 -3.91 7.34 1.13 -0.55 -4.94 117.38 113.70 1jud n GLN 148 Ca 0.16 0.66 -0.09 0.00 -1.94 0.00 0.00 57.00 55.79 1jud n GLN 148 Cb 0.40 -5.35 -0.06 0.00 0.11 0.00 0.00 30.24 25.35 1jud n GLN 148 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jud s VAL 149 N -2.85 0.04 0.42 5.09 0.11 -1.26 -4.61 120.40 117.35 1jud s VAL 149 Ca 0.16 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.04 1jud s VAL 149 Cb -0.08 -1.85 -0.07 0.00 -1.53 0.00 0.00 36.38 32.85 1jud s VAL 149 CO 0.20 -0.19 0.03 -0.31 -3.33 0.00 0.00 175.10 171.51 1jud s TYR 150 N -3.95 2.44 0.61 1.54 2.02 -1.26 -4.70 117.35 114.04 1jud s TYR 150 Ca 0.16 -0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 1jud s TYR 150 Cb 0.01 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1jud s TYR 150 CO 0.01 0.38 1.07 0.15 -1.57 0.00 0.00 175.55 175.59 1jud s LYS 151 N -3.76 3.18 -0.17 -0.62 1.02 -1.26 -2.08 119.74 116.04 1jud s LYS 151 Ca 0.32 1.25 0.01 0.00 0.02 0.00 0.00 55.97 57.57 1jud s LYS 151 Cb 0.08 -2.01 0.20 0.00 -0.52 0.00 0.00 37.83 35.58 1jud s LYS 151 CO 0.17 -0.93 1.52 -0.35 -0.92 0.00 0.00 175.35 174.84 1jud n PRO 152 N -2.15 1.45 -1.93 -1.68 -0.04 -1.26 -4.74 135.00 124.66 1jud n PRO 152 Ca 0.09 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 1jud n PRO 152 Cb 0.53 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1jud n PRO 152 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jud s ASP 153 N 0.40 6.60 0.64 3.54 -1.08 -0.88 -4.85 116.67 121.05 1jud s ASP 153 Ca 0.19 2.50 0.30 0.00 -0.52 0.00 0.00 52.55 55.03 1jud s ASP 153 Cb 0.16 -2.57 1.65 0.00 -1.46 0.00 0.00 42.92 40.71 1jud s ASP 153 CO 0.02 -0.88 1.96 0.78 0.52 0.00 0.00 175.17 177.58 1jud h ASN 154 N 8.12 0.00 0.72 -0.34 4.21 -1.96 -1.02 115.58 125.31 1jud h ASN 154 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 1jud h ASN 154 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1jud h ASN 154 CO 0.93 0.00 0.00 0.03 -1.29 0.00 0.00 177.43 177.10 1jud h ARG 155 N 0.00 0.00 0.15 0.81 3.08 -1.94 -1.87 114.38 114.61 1jud h ARG 155 Ca 0.05 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.80 1jud h ARG 155 Cb 0.70 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1jud h ARG 155 CO -0.00 0.00 -1.38 0.28 -1.07 0.00 0.00 179.97 177.80 1jud h VAL 156 N 0.00 1.35 -0.22 2.04 2.07 -1.52 -3.21 116.25 116.77 1jud h VAL 156 Ca 0.00 -2.91 -0.13 0.00 0.82 0.00 0.00 66.70 64.48 1jud h VAL 156 Cb 0.36 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1jud h VAL 156 CO 0.00 0.86 -0.40 1.88 0.02 0.00 0.00 177.57 179.93 1jud h TYR 157 N 0.09 0.60 -0.63 1.57 0.05 -1.47 -2.81 116.97 114.38 1jud h TYR 157 Ca -0.19 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.36 1jud h TYR 157 Cb 2.03 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 39.61 1jud h TYR 157 CO 0.08 0.83 0.18 0.93 -1.05 0.00 0.00 178.16 179.13 1jud h GLU 158 N 0.42 0.96 -0.52 4.88 5.08 -1.53 -1.98 114.58 121.90 1jud h GLU 158 Ca 0.04 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1jud h GLU 158 Cb 0.88 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1jud h GLU 158 CO 0.07 0.84 0.24 1.25 -1.00 0.00 0.00 179.01 180.41 1jud h LEU 159 N 0.93 0.31 -1.22 1.33 5.85 -1.50 0.43 115.31 121.44 1jud h LEU 159 Ca 0.20 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1jud h LEU 159 Cb 0.29 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1jud h LEU 159 CO -0.01 0.21 -0.02 0.00 -0.34 0.00 0.00 178.44 178.29 1jud h ALA 160 N 1.30 1.36 -0.26 1.25 0.00 -1.31 -0.15 119.26 121.46 1jud h ALA 160 Ca 0.24 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1jud h ALA 160 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jud h ALA 160 CO -0.19 0.44 -0.48 1.49 0.00 0.00 0.00 179.25 180.51 1jud h GLU 161 N 0.48 0.78 -0.20 0.00 4.81 -0.43 -2.93 114.58 117.11 1jud h GLU 161 Ca 0.10 -0.50 -0.13 0.00 -0.13 0.00 0.00 59.36 58.71 1jud h GLU 161 Cb 0.35 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jud h GLU 161 CO 0.01 1.12 -0.38 1.96 -0.73 0.00 0.00 179.01 181.00 1jud h GLN 162 N 0.53 0.60 -0.39 1.92 4.20 0.21 -2.95 115.11 119.24 1jud h GLN 162 Ca 0.01 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 1jud h GLN 162 Cb 1.08 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1jud h GLN 162 CO 0.11 1.00 0.01 0.00 -0.67 0.00 0.00 178.83 179.28 1jud h ALA 163 N 0.60 1.29 0.00 3.87 0.00 -1.11 -2.89 119.26 121.02 1jud h ALA 163 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jud h ALA 163 Cb 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jud h ALA 163 CO 0.08 0.48 -0.03 1.28 0.00 0.00 0.00 179.25 181.06 1jud n LEU 164 N -4.26 0.60 -2.03 0.00 4.77 -1.10 -4.94 117.00 110.03 1jud n LEU 164 Ca 0.02 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.35 1jud n LEU 164 Cb 0.26 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1jud n LEU 164 CO 0.40 -0.12 -0.23 0.61 -1.33 0.00 0.00 177.39 176.71 1jud n GLY 165 N 1.36 -0.18 3.27 -0.72 0.00 -1.09 -4.99 105.19 102.84 1jud n GLY 165 Ca 0.06 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1jud n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jud s LEU 166 N -5.19 2.35 0.41 0.99 1.43 -1.20 -5.09 118.68 112.38 1jud s LEU 166 Ca 0.00 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 1jud s LEU 166 Cb 0.00 -0.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.88 1jud s LEU 166 CO 0.00 -0.44 0.86 -0.62 0.23 0.00 0.00 176.35 176.38 1jud s ASP 167 N -3.20 6.75 0.36 2.29 2.15 -1.26 -4.66 116.67 119.10 1jud s ASP 167 Ca 0.21 1.44 0.10 0.00 0.43 0.00 0.00 52.55 54.73 1jud s ASP 167 Cb 0.04 -2.44 0.85 0.00 -0.30 0.00 0.00 42.92 41.07 1jud s ASP 167 CO 0.03 -0.37 1.87 0.08 -0.17 0.00 0.00 175.17 176.61 1jud h ARG 168 N 1.68 0.63 0.00 4.34 0.11 -1.92 -1.05 114.38 118.18 1jud h ARG 168 Ca -0.48 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1jud h ARG 168 Cb 1.18 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1jud h ARG 168 CO 0.63 0.42 0.00 -1.13 0.10 0.00 0.00 179.97 179.99 1jud n SER 169 N -4.56 0.27 -0.75 0.08 3.41 -1.26 -1.57 113.62 109.24 1jud n SER 169 Ca 0.17 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.44 1jud n SER 169 Cb 0.49 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 63.99 1jud n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jud n ALA 170 N -1.62 2.39 -4.00 7.33 0.00 -0.40 -4.69 120.51 119.53 1jud n ALA 170 Ca 0.02 -1.42 -0.31 0.00 0.00 0.00 0.00 53.44 51.73 1jud n ALA 170 Cb 0.13 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 18.89 1jud n ALA 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jud s ILE 171 N -1.43 1.67 -0.01 0.00 1.01 -0.61 -0.53 121.20 121.31 1jud s ILE 171 Ca 0.29 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1jud s ILE 171 Cb 0.18 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1jud s ILE 171 CO 0.15 0.14 1.10 -0.22 0.00 0.00 0.00 174.94 176.11 1jud s LEU 172 N 1.38 4.33 -0.35 2.97 2.96 0.36 -3.74 118.68 126.59 1jud s LEU 172 Ca -0.02 1.79 -0.14 0.00 -0.22 0.00 0.00 54.13 55.54 1jud s LEU 172 Cb -0.17 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jud s LEU 172 CO -0.08 -0.43 0.27 0.12 -1.32 0.00 0.00 176.35 174.92 1jud s PHE 173 N 1.46 3.23 -0.19 5.38 5.36 -0.28 -0.31 117.98 132.62 1jud s PHE 173 Ca 0.54 -0.20 -0.04 0.00 -0.96 0.00 0.00 56.93 56.27 1jud s PHE 173 Cb -0.24 -2.53 -0.02 0.00 -0.34 0.00 0.00 43.02 39.89 1jud s PHE 173 CO 0.25 -0.40 -0.02 0.08 -1.46 0.00 0.00 175.22 173.68 1jud s VAL 174 N 1.79 3.82 -0.05 3.12 1.01 -0.12 -0.88 120.40 129.09 1jud s VAL 174 Ca 0.07 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1jud s VAL 174 Cb -0.17 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1jud s VAL 174 CO 0.11 0.44 0.53 -0.55 0.00 0.00 0.00 175.10 175.63 1jud s SER 175 N 0.91 -0.47 0.01 3.32 0.15 -0.92 -2.38 113.70 114.31 1jud s SER 175 Ca 0.00 0.51 0.25 0.00 0.70 0.00 0.00 55.95 57.41 1jud s SER 175 Cb -0.14 0.51 0.43 0.00 -1.71 0.00 0.00 66.02 65.10 1jud s SER 175 CO 0.02 -0.51 1.36 -1.54 1.20 0.00 0.00 173.24 173.77 1jud n SER 176 N 1.22 0.55 -4.57 5.45 3.41 -1.26 -0.86 113.62 117.56 1jud n SER 176 Ca -0.20 -0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 57.73 1jud n SER 176 Cb 0.57 0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.74 1jud n SER 176 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1jud s ASN 177 N -3.09 6.14 0.35 4.04 0.01 -1.26 -4.76 114.94 116.37 1jud s ASN 177 Ca 0.10 -0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.21 1jud s ASN 177 Cb 0.17 -2.17 0.65 0.00 0.41 0.00 0.00 41.25 40.31 1jud s ASN 177 CO 0.72 -0.22 2.00 0.00 -1.51 0.00 0.00 177.10 178.09 1jud h ALA 178 N 8.37 1.54 -0.18 0.60 0.00 -1.94 -1.14 119.26 126.51 1jud h ALA 178 Ca -0.32 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1jud h ALA 178 Cb 1.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1jud h ALA 178 CO 0.64 0.41 -0.28 0.11 0.00 0.00 0.00 179.25 180.13 1jud h TRP 179 N 0.79 0.39 -0.00 0.00 5.08 -1.97 -1.17 115.95 119.06 1jud h TRP 179 Ca 0.21 -0.08 -0.26 0.00 1.08 0.00 0.00 58.89 59.84 1jud h TRP 179 Cb -0.04 -0.10 0.02 0.00 -3.00 0.00 0.00 29.16 26.04 1jud h TRP 179 CO 0.00 0.60 -1.02 0.22 -1.28 0.00 0.00 178.44 176.96 1jud h ASP 180 N 0.31 0.82 0.29 0.11 1.82 -1.82 -2.37 116.42 115.58 1jud h ASP 180 Ca 0.05 -0.66 -0.05 0.00 -0.39 0.00 0.00 57.03 55.97 1jud h ASP 180 Cb 0.65 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1jud h ASP 180 CO 0.05 1.46 -0.25 0.00 -1.61 0.00 0.00 179.24 178.88 1jud h ALA 181 N 0.49 1.51 -0.14 -0.78 0.00 -1.03 -0.38 119.26 118.92 1jud h ALA 181 Ca -0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1jud h ALA 181 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1jud h ALA 181 CO 0.19 0.32 -0.36 1.15 0.00 0.00 0.00 179.25 180.56 1jud h THR 182 N 0.00 1.36 0.02 0.00 2.02 -1.11 -1.13 112.91 114.07 1jud h THR 182 Ca -0.00 -1.63 -0.00 0.00 0.77 0.00 0.00 66.41 65.54 1jud h THR 182 Cb 0.47 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1jud h THR 182 CO 0.03 0.49 -0.01 1.23 0.37 0.00 0.00 175.52 177.63 1jud h GLY 183 N 0.11 -0.03 0.78 2.16 0.00 -0.87 -0.83 103.07 104.39 1jud h GLY 183 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1jud h GLY 183 CO 0.08 -0.01 0.16 0.00 0.00 0.00 0.00 176.54 176.77 1jud h ALA 184 N 0.93 0.43 -0.67 3.60 0.00 -1.13 -1.52 119.26 120.91 1jud h ALA 184 Ca -0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1jud h ALA 184 Cb 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1jud h ALA 184 CO 0.00 -0.22 0.36 -0.09 0.00 0.00 0.00 179.25 179.30 1jud h ARG 185 N 0.34 0.63 -0.46 0.00 1.12 -0.90 -1.40 114.38 113.71 1jud h ARG 185 Ca 0.15 -0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.89 1jud h ARG 185 Cb 0.09 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1jud h ARG 185 CO -0.12 0.42 -0.09 1.88 -3.11 0.00 0.00 179.97 178.95 1jud h TYR 186 N 0.65 0.89 -0.44 2.20 0.05 -0.70 -3.10 116.97 116.53 1jud h TYR 186 Ca 0.31 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1jud h TYR 186 Cb 0.23 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1jud h TYR 186 CO -0.09 0.86 0.23 0.35 -1.05 0.00 0.00 178.16 178.47 1jud h PHE 187 N 0.74 0.61 0.00 4.88 3.57 -0.53 -3.47 116.94 122.74 1jud h PHE 187 Ca 0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1jud h PHE 187 Cb 0.57 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1jud h PHE 187 CO 0.03 0.47 0.00 0.41 -2.23 0.00 0.00 178.31 176.99 1jud n GLY 188 N -0.97 0.54 3.77 2.40 0.00 -0.60 -5.10 105.19 105.23 1jud n GLY 188 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1jud n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jud s PHE 189 N 0.00 3.08 0.14 1.61 0.08 -1.02 -4.25 117.98 117.62 1jud s PHE 189 Ca 0.00 1.46 -0.30 0.00 0.12 0.00 0.00 56.93 58.20 1jud s PHE 189 Cb 0.00 -3.61 -0.07 0.00 -0.57 0.00 0.00 43.02 38.76 1jud s PHE 189 CO 0.00 -1.70 1.22 -2.14 -0.10 0.00 0.00 175.22 172.50 1jud s PRO 190 N -1.85 4.45 -0.08 0.24 0.02 -1.25 -4.31 135.00 132.22 1jud s PRO 190 Ca 0.50 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1jud s PRO 190 Cb -0.38 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 30.84 1jud s PRO 190 CO 0.50 -0.18 -0.09 0.99 -0.33 0.00 0.00 177.00 177.88 1jud s THR 191 N 0.42 3.46 -0.26 0.99 2.01 -1.26 -1.13 115.64 119.87 1jud s THR 191 Ca 0.56 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1jud s THR 191 Cb -0.32 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 69.83 1jud s THR 191 CO 0.34 0.57 -0.10 0.00 -0.69 0.00 0.00 174.62 174.74 1jud s TRP 193 N 1.15 3.40 -0.50 0.00 -0.00 0.77 -2.17 118.94 121.59 1jud s TRP 193 Ca -0.08 0.93 -0.19 0.00 -0.00 0.00 0.00 56.10 56.75 1jud s TRP 193 Cb -0.20 -2.76 0.05 0.00 -0.00 0.00 0.00 33.47 30.56 1jud s TRP 193 CO -0.05 -0.11 0.63 0.42 -0.00 0.00 0.00 176.95 177.84 1jud s ILE 194 N 1.66 4.86 -0.34 5.86 -1.09 -0.04 -0.65 121.20 131.47 1jud s ILE 194 Ca 0.29 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1jud s ILE 194 Cb -0.16 -4.29 0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1jud s ILE 194 CO 0.11 -0.78 0.06 0.21 -1.23 0.00 0.00 174.94 173.31 1jud s ASN 195 N 2.58 4.79 -0.17 3.58 2.47 0.13 -4.31 114.94 124.01 1jud s ASN 195 Ca 0.16 -2.16 -0.20 0.00 0.42 0.00 0.00 52.86 51.09 1jud s ASN 195 Cb -0.18 -1.64 -0.22 0.00 -1.45 0.00 0.00 41.25 37.76 1jud s ASN 195 CO 0.13 -0.39 0.36 0.03 -3.72 0.00 0.00 177.10 173.51 1jud h ARG 196 N 7.62 0.08 -0.94 0.43 3.08 -1.77 -3.34 114.38 119.53 1jud h ARG 196 Ca -0.04 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.66 1jud h ARG 196 Cb 1.02 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.99 1jud h ARG 196 CO 0.53 1.06 0.27 0.25 -1.07 0.00 0.00 179.97 181.01 1jud n THR 197 N -4.24 2.03 -3.57 2.04 -2.24 -1.26 -4.94 114.28 102.10 1jud n THR 197 Ca -0.28 -0.97 -0.22 0.00 -2.27 0.00 0.00 64.05 60.30 1jud n THR 197 Cb 0.75 -0.63 0.08 0.00 -2.10 0.00 0.00 70.33 68.42 1jud n THR 197 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jud n GLY 198 N -0.21 -0.50 3.95 3.38 0.00 -1.26 -5.02 105.19 105.53 1jud n GLY 198 Ca 0.28 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 1jud n GLY 198 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jud s ASN 199 N -3.59 4.62 0.23 1.61 0.02 -1.26 -5.10 114.94 111.46 1jud s ASN 199 Ca 0.44 0.17 0.08 0.00 -1.02 0.00 0.00 52.86 52.52 1jud s ASN 199 Cb -0.19 -0.74 -0.04 0.00 0.02 0.00 0.00 41.25 40.29 1jud s ASN 199 CO 0.73 -1.69 0.08 0.68 0.02 0.00 0.00 177.10 176.93 1jud s VAL 200 N -3.20 3.99 0.52 1.60 -7.23 -1.26 -5.07 120.40 109.75 1jud s VAL 200 Ca 0.62 -1.52 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 1jud s VAL 200 Cb -0.09 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.69 1jud s VAL 200 CO 0.44 -0.27 1.03 0.12 -0.31 0.00 0.00 175.10 176.11 1jud s PHE 201 N -2.04 3.11 0.61 2.82 5.36 -1.26 -4.98 117.98 121.59 1jud s PHE 201 Ca 0.31 1.54 -0.17 0.00 -0.96 0.00 0.00 56.93 57.64 1jud s PHE 201 Cb -0.08 -2.97 -0.02 0.00 -0.34 0.00 0.00 43.02 39.60 1jud s PHE 201 CO 0.22 -0.78 1.15 -1.21 -1.46 0.00 0.00 175.22 173.14 1jud s GLU 202 N -3.69 2.95 -1.10 10.12 0.41 -1.26 -4.96 118.70 121.17 1jud s GLU 202 Ca 0.64 1.60 -0.03 0.00 -0.41 0.00 0.00 54.97 56.77 1jud s GLU 202 Cb -0.14 -1.95 0.28 0.00 -1.78 0.00 0.00 34.13 30.54 1jud s GLU 202 CO 0.27 -1.17 1.80 0.39 -0.49 0.00 0.00 175.26 176.06 1jud n GLU 203 N -1.89 4.94 -0.83 1.61 -0.58 -1.26 -4.65 120.64 117.98 1jud n GLU 203 Ca 0.12 -4.41 0.00 0.00 -0.42 0.00 0.00 57.16 52.45 1jud n GLU 203 Cb 0.51 -2.53 0.18 0.00 -0.57 0.00 0.00 31.44 29.03 1jud n GLU 203 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1jud n MET 204 N 0.83 1.91 -0.90 3.49 2.81 -1.26 -4.96 117.12 119.04 1jud n MET 204 Ca 0.42 -3.41 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 1jud n MET 204 Cb 0.29 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1jud n MET 204 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jud n GLY 205 N -1.06 0.50 3.32 3.03 0.00 -1.26 -5.06 105.19 104.65 1jud n GLY 205 Ca 0.25 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1jud n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jud s GLN 206 N -0.88 1.30 -0.12 1.61 -1.52 -1.26 -5.12 119.66 113.67 1jud s GLN 206 Ca 0.00 -1.65 -0.08 0.00 -1.95 0.00 0.00 55.36 51.68 1jud s GLN 206 Cb 0.00 -0.60 0.04 0.00 -0.22 0.00 0.00 33.01 32.23 1jud s GLN 206 CO 0.00 -0.08 0.30 0.95 -0.25 0.00 0.00 175.29 176.21 1jud s THR 207 N -3.42 -0.02 0.66 -0.19 -4.23 -1.26 -4.89 115.64 102.29 1jud s THR 207 Ca 0.27 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.72 1jud s THR 207 Cb 0.05 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1jud s THR 207 CO 0.08 0.03 1.10 -2.16 -0.54 0.00 0.00 174.62 173.13 1jud s PRO 208 N 0.89 2.83 0.29 3.99 0.04 -1.26 -4.93 135.00 136.85 1jud s PRO 208 Ca -0.06 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1jud s PRO 208 Cb -0.07 -1.96 0.44 0.00 0.04 0.00 0.00 34.50 32.95 1jud s PRO 208 CO -0.06 -1.21 1.73 -0.44 0.04 0.00 0.00 177.00 177.05 1jud h ASP 209 N -0.08 0.44 -3.73 6.66 3.32 -1.44 -3.43 116.42 118.15 1jud h ASP 209 Ca -0.46 -0.15 -0.22 0.00 0.02 0.00 0.00 57.03 56.22 1jud h ASP 209 Cb 1.24 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.39 1jud h ASP 209 CO 0.54 0.70 -0.68 0.26 -1.72 0.00 0.00 179.24 178.34 1jud s TRP 210 N -4.46 -0.04 -0.19 4.55 0.51 -0.80 -5.03 118.94 113.49 1jud s TRP 210 Ca -0.06 0.09 0.01 0.00 -2.12 0.00 0.00 56.10 54.02 1jud s TRP 210 Cb 0.14 0.00 0.03 0.00 -0.81 0.00 0.00 33.47 32.83 1jud s TRP 210 CO 0.78 -0.02 -0.14 -2.00 -0.51 0.00 0.00 176.95 175.06 1jud s GLU 211 N 0.06 2.43 0.33 4.98 2.12 -1.26 -0.17 118.70 127.19 1jud s GLU 211 Ca -0.00 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.54 1jud s GLU 211 Cb -0.01 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.86 1jud s GLU 211 CO -0.00 -0.33 -0.00 0.14 -0.54 0.00 0.00 175.26 174.52 1jud s VAL 212 N 1.34 1.59 -2.17 3.70 -7.23 0.18 -4.97 120.40 112.84 1jud s VAL 212 Ca 0.01 -2.06 0.21 0.00 -1.81 0.00 0.00 61.98 58.34 1jud s VAL 212 Cb -0.15 -2.71 0.05 0.00 0.56 0.00 0.00 36.38 34.13 1jud s VAL 212 CO -0.10 -0.12 1.08 0.35 -0.31 0.00 0.00 175.10 176.01 1jud n THR 213 N -0.72 0.00 -3.94 5.32 -2.24 -1.25 0.22 114.28 111.66 1jud n THR 213 Ca -0.04 -0.34 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 1jud n THR 213 Cb 0.65 1.31 0.01 0.00 -2.10 0.00 0.00 70.33 70.20 1jud n THR 213 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jud s SER 214 N -2.20 -0.00 0.47 3.42 1.04 -1.26 -4.30 113.70 110.87 1jud s SER 214 Ca 0.20 -0.24 0.27 0.00 0.48 0.00 0.00 55.95 56.66 1jud s SER 214 Cb 0.17 0.18 0.85 0.00 0.10 0.00 0.00 66.02 67.32 1jud s SER 214 CO 0.46 -0.35 1.79 -0.07 0.98 0.00 0.00 173.24 176.05 1jud h LEU 215 N 2.00 0.00 -0.58 2.42 3.38 -1.92 -3.21 115.31 117.40 1jud h LEU 215 Ca -0.23 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1jud h LEU 215 Cb 1.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1jud h LEU 215 CO 0.31 0.10 0.16 0.03 0.09 0.00 0.00 178.44 179.13 1jud h ARG 216 N 0.00 0.30 0.00 1.13 3.08 -1.95 -0.15 114.38 116.79 1jud h ARG 216 Ca -0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1jud h ARG 216 Cb 0.79 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1jud h ARG 216 CO 0.01 0.20 -0.25 0.00 -1.07 0.00 0.00 179.97 178.87 1jud h ALA 217 N 1.43 1.35 -0.80 0.04 0.00 -1.97 -2.76 119.26 116.55 1jud h ALA 217 Ca 0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jud h ALA 217 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1jud h ALA 217 CO -0.35 0.31 0.31 0.28 0.00 0.00 0.00 179.25 179.81 1jud h VAL 218 N 0.00 1.26 -0.72 0.00 2.07 -1.13 -2.84 116.25 114.89 1jud h VAL 218 Ca -0.00 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1jud h VAL 218 Cb 0.52 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1jud h VAL 218 CO 0.03 0.34 0.33 0.58 0.02 0.00 0.00 177.57 178.87 1jud h VAL 219 N 1.16 1.24 -0.21 2.57 2.07 -1.25 -2.56 116.25 119.27 1jud h VAL 219 Ca 0.26 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1jud h VAL 219 Cb 0.22 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1jud h VAL 219 CO -0.02 0.29 0.18 -0.33 0.02 0.00 0.00 177.57 177.71 1jud h GLU 220 N 1.01 0.00 0.00 1.57 5.08 -1.51 -1.64 114.58 119.08 1jud h GLU 220 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1jud h GLU 220 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1jud h GLU 220 CO -0.03 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.89 1jud h LEU 221 N 0.00 0.00 -1.73 1.33 3.38 -1.44 -3.52 115.31 113.32 1jud h LEU 221 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jud h LEU 221 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jud h LEU 221 CO -0.00 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.05