#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1a s GLN 3 N 0.00 0.48 -0.24 1.43 -1.52 -1.26 -4.98 119.66 113.58 3k1a s GLN 3 Ca 0.00 -0.56 -0.14 0.00 -1.95 0.00 0.00 55.36 52.72 3k1a s GLN 3 Cb 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 33.01 32.43 3k1a s GLN 3 CO 0.00 0.07 0.30 -0.65 -0.25 0.00 0.00 175.29 174.76 3k1a s GLN 4 N -1.07 4.08 0.55 2.91 -0.21 -1.26 -4.99 119.66 119.67 3k1a s GLN 4 Ca -0.06 -0.03 0.29 0.00 0.02 0.00 0.00 55.36 55.58 3k1a s GLN 4 Cb -0.07 -3.58 1.61 0.00 1.00 0.00 0.00 33.01 31.97 3k1a s GLN 4 CO 0.00 -0.09 2.15 -0.24 -2.12 0.00 0.00 175.29 174.98 3k1a h VAL 5 N 5.17 0.53 0.00 1.09 3.04 -2.00 -1.01 116.25 123.06 3k1a h VAL 5 Ca -0.35 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3k1a h VAL 5 Cb 1.17 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3k1a h VAL 5 CO 0.66 0.07 0.00 -2.24 -1.01 0.00 0.00 177.57 175.05 3k1a h ASP 6 N 0.00 0.00 -1.90 3.17 2.03 -2.07 -3.39 116.42 114.27 3k1a h ASP 6 Ca -0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.77 3k1a h ASP 6 Cb 0.20 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.35 3k1a h ASP 6 CO 0.01 0.00 -1.00 1.17 -1.03 0.00 0.00 179.24 178.39 3k1a n LYS 7 N -2.95 0.56 -1.89 4.15 4.81 -0.40 -5.12 118.16 117.31 3k1a n LYS 7 Ca 0.04 -3.04 -0.41 0.00 -0.87 0.00 0.00 58.31 54.03 3k1a n LYS 7 Cb 0.51 -1.37 -0.02 0.00 0.02 0.00 0.00 35.03 34.17 3k1a n LYS 7 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k1a s ILE 8 N -0.60 2.31 -0.20 3.15 -1.09 -1.10 -4.37 121.20 119.30 3k1a s ILE 8 Ca 0.34 0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.97 3k1a s ILE 8 Cb 0.13 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 3k1a s ILE 8 CO -0.14 0.05 0.04 -0.54 -1.23 0.00 0.00 174.94 173.11 3k1a s LYS 9 N -0.90 3.79 1.09 2.79 1.02 -1.26 -5.07 119.74 121.19 3k1a s LYS 9 Ca 0.59 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.96 3k1a s LYS 9 Cb -0.45 -3.17 0.25 0.00 -0.52 0.00 0.00 37.83 33.93 3k1a s LYS 9 CO 0.50 0.11 1.22 0.00 -0.92 0.00 0.00 175.35 176.26 3k1a s ALA 10 N 0.79 1.42 0.23 5.17 0.00 -1.26 -4.67 121.76 123.44 3k1a s ALA 10 Ca 0.02 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 3k1a s ALA 10 Cb -0.14 -2.82 0.26 0.00 0.00 0.00 0.00 23.12 20.42 3k1a s ALA 10 CO 0.02 -3.03 1.56 0.66 0.00 0.00 0.00 175.76 174.97 3k1a h SER 11 N -2.13 -1.26 -3.59 0.00 4.64 -1.99 -0.80 113.55 108.41 3k1a h SER 11 Ca -0.44 0.29 -0.61 0.00 -0.47 0.00 0.00 61.79 60.55 3k1a h SER 11 Cb 1.26 0.69 -0.13 0.00 -0.31 0.00 0.00 62.40 63.91 3k1a h SER 11 CO 0.35 -0.30 -0.19 -0.47 -0.87 0.00 0.00 176.83 175.35 3k1a s TYR 12 N -6.03 3.31 -1.09 4.77 5.04 -1.26 -1.14 117.35 120.95 3k1a s TYR 12 Ca -0.14 0.53 0.17 0.00 -2.44 0.00 0.00 57.07 55.18 3k1a s TYR 12 Cb 0.21 -2.57 0.69 0.00 0.35 0.00 0.00 41.96 40.64 3k1a s TYR 12 CO 0.72 -0.13 1.58 -0.35 -1.34 0.00 0.00 175.55 176.03 3k1a n PRO 13 N 4.96 3.68 -0.15 4.97 -0.04 -1.13 -5.02 135.00 142.26 3k1a n PRO 13 Ca -0.08 -2.70 -0.04 0.00 -0.04 0.00 0.00 63.50 60.64 3k1a n PRO 13 Cb 0.51 -1.90 0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3k1a n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3k1a h LEU 14 N 3.82 -0.77 0.00 1.53 5.85 0.39 -1.02 115.31 125.11 3k1a h LEU 14 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3k1a h LEU 14 Cb 1.43 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3k1a h LEU 14 CO 0.25 -0.25 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 3k1a n PHE 15 N -5.41 0.00 1.30 1.25 3.72 -0.83 -1.44 117.46 116.05 3k1a n PHE 15 Ca 0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.57 3k1a n PHE 15 Cb 0.31 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.35 3k1a n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k1a n LEU 16 N -0.88 0.65 -4.74 4.37 4.77 -0.39 -4.04 117.00 116.76 3k1a n LEU 16 Ca 0.15 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.69 3k1a n LEU 16 Cb 0.07 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3k1a n LEU 16 CO 0.11 0.12 0.90 -1.81 -1.33 0.00 0.00 177.39 175.39 3k1a s ASP 17 N -2.55 4.82 0.23 -1.43 1.01 -0.52 -4.78 116.67 113.44 3k1a s ASP 17 Ca 0.25 2.60 -0.08 0.00 0.71 0.00 0.00 52.55 56.03 3k1a s ASP 17 Cb 0.19 -2.62 0.21 0.00 1.01 0.00 0.00 42.92 41.71 3k1a s ASP 17 CO 0.51 -1.86 1.89 -0.61 0.21 0.00 0.00 175.17 175.32 3k1a h GLN 18 N 0.76 1.09 -0.52 8.23 5.75 -1.91 0.12 115.11 128.63 3k1a h GLN 18 Ca -0.51 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 57.86 3k1a h GLN 18 Cb 1.32 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3k1a h GLN 18 CO 0.54 0.72 0.06 0.38 -2.65 0.00 0.00 178.83 177.88 3k1a h ASP 19 N 1.12 0.79 -0.27 -0.69 2.03 -1.96 0.69 116.42 118.13 3k1a h ASP 19 Ca 0.32 -0.17 -0.19 0.00 -0.73 0.00 0.00 57.03 56.26 3k1a h ASP 19 Cb -0.10 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.19 3k1a h ASP 19 CO -0.08 0.82 -0.55 1.88 -1.03 0.00 0.00 179.24 180.28 3k1a h TYR 20 N 0.79 1.08 -0.66 4.15 0.05 -1.73 -1.80 116.97 118.86 3k1a h TYR 20 Ca 0.16 -0.39 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 3k1a h TYR 20 Cb 0.39 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 3k1a h TYR 20 CO 0.02 1.22 0.23 -0.22 -1.05 0.00 0.00 178.16 178.37 3k1a h LYS 21 N 0.63 0.98 -0.18 4.88 3.64 -0.62 0.46 116.57 126.36 3k1a h LYS 21 Ca 0.01 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 3k1a h LYS 21 Cb 1.17 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3k1a h LYS 21 CO 0.12 0.82 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.34 3k1a h ASP 22 N 0.96 0.61 -0.35 4.20 3.32 -0.90 -2.25 116.42 122.01 3k1a h ASP 22 Ca 0.22 -0.55 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3k1a h ASP 22 Cb 0.23 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3k1a h ASP 22 CO -0.01 1.04 0.06 -0.03 -1.72 0.00 0.00 179.24 178.58 3k1a h MET 23 N 0.20 0.17 -0.25 3.56 4.05 -1.01 -0.97 114.93 120.68 3k1a h MET 23 Ca 0.01 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 3k1a h MET 23 Cb 0.94 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 3k1a h MET 23 CO 0.08 0.11 -0.27 -0.07 0.23 0.00 0.00 176.91 176.99 3k1a h LEU 24 N 0.18 0.50 -0.70 3.39 3.38 -0.95 -1.36 115.31 119.74 3k1a h LEU 24 Ca 0.17 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3k1a h LEU 24 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3k1a h LEU 24 CO -0.23 0.76 0.21 0.00 0.09 0.00 0.00 178.44 179.27 3k1a h ALA 25 N 1.28 0.92 -0.17 1.53 0.00 -1.01 -2.10 119.26 119.71 3k1a h ALA 25 Ca 0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3k1a h ALA 25 Cb 0.70 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k1a h ALA 25 CO 0.05 0.60 -0.63 0.87 0.00 0.00 0.00 179.25 180.15 3k1a h LYS 26 N 1.03 0.60 -0.14 0.00 1.57 -0.87 -1.45 116.57 117.31 3k1a h LYS 26 Ca 0.23 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3k1a h LYS 26 Cb 0.31 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3k1a h LYS 26 CO -0.01 1.04 0.06 -0.22 -0.57 0.00 0.00 179.45 179.75 3k1a h LYS 27 N 0.44 0.13 0.59 3.15 3.64 -1.19 0.23 116.57 123.56 3k1a h LYS 27 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3k1a h LYS 27 Cb 1.20 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3k1a h LYS 27 CO 0.12 0.09 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.94 3k1a h ARG 28 N 0.13 -0.86 -0.81 1.90 2.43 -1.30 -2.21 114.38 113.67 3k1a h ARG 28 Ca 0.06 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3k1a h ARG 28 Cb 0.02 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3k1a h ARG 28 CO -0.05 -0.57 0.37 -0.44 -1.51 0.00 0.00 179.97 177.77 3k1a h ASP 29 N -0.89 1.07 -0.05 -3.80 3.32 -1.24 -2.60 116.42 112.23 3k1a h ASP 29 Ca -0.07 -0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.61 3k1a h ASP 29 Cb 0.72 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 40.01 3k1a h ASP 29 CO 0.08 0.91 -0.83 1.23 -1.72 0.00 0.00 179.24 178.91 3k1a h GLY 30 N 1.15 0.73 0.00 2.75 0.00 -0.96 -3.44 103.07 103.30 3k1a h GLY 30 Ca 0.28 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3k1a h GLY 30 CO -0.03 1.04 -0.11 0.69 0.00 0.00 0.00 176.54 178.14 3k1a n PHE 31 N -3.99 0.00 0.13 5.60 3.72 -0.84 -4.84 117.46 117.24 3k1a n PHE 31 Ca -0.10 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.36 3k1a n PHE 31 Cb 0.78 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.35 3k1a n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3k1a h GLU 32 N 0.00 0.00 -6.24 -1.08 5.08 -1.42 -3.48 114.58 107.44 3k1a h GLU 32 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 3k1a h GLU 32 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3k1a h GLU 32 CO 0.00 0.23 -0.85 0.39 -1.00 0.00 0.00 179.01 177.78 3k1a n GLU 33 N -3.00 -4.30 -2.75 2.33 1.02 -1.25 -4.91 120.64 107.77 3k1a n GLU 33 Ca -0.01 0.54 -0.37 0.00 -0.02 0.00 0.00 57.16 57.30 3k1a n GLU 33 Cb 0.67 -4.93 -0.06 0.00 -0.02 0.00 0.00 31.44 27.09 3k1a n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3k1a s LYS 34 N -6.19 4.55 0.46 3.49 2.20 -1.26 -5.02 119.74 117.97 3k1a s LYS 34 Ca 0.00 1.36 -0.25 0.00 -0.36 0.00 0.00 55.97 56.73 3k1a s LYS 34 Cb -0.00 -2.79 -0.08 0.00 -1.51 0.00 0.00 37.83 33.45 3k1a s LYS 34 CO 0.84 0.24 1.40 0.71 -0.36 0.00 0.00 175.35 178.17 3k1a s TYR 35 N -1.60 2.48 0.55 4.03 2.02 -1.26 -4.95 117.35 118.61 3k1a s TYR 35 Ca 0.51 1.30 -0.21 0.00 -0.37 0.00 0.00 57.07 58.30 3k1a s TYR 35 Cb -0.19 -3.86 -0.06 0.00 -0.40 0.00 0.00 41.96 37.45 3k1a s TYR 35 CO 0.25 -2.81 1.13 -2.30 -1.57 0.00 0.00 175.55 170.25 3k1a n PRO 36 N -0.31 1.28 -0.34 -1.71 -0.02 -1.26 -4.78 135.00 127.85 3k1a n PRO 36 Ca 0.06 0.48 -0.02 0.00 -2.02 0.00 0.00 63.50 62.00 3k1a n PRO 36 Cb 0.43 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.71 3k1a n PRO 36 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3k1a h GLN 37 N 1.02 1.17 -0.98 -0.52 5.75 -1.99 -0.77 115.11 118.79 3k1a h GLN 37 Ca -0.49 -0.07 0.19 0.00 -0.15 0.00 0.00 58.65 58.13 3k1a h GLN 37 Cb 1.34 -0.26 -0.11 0.00 1.07 0.00 0.00 27.48 29.52 3k1a h GLN 37 CO 0.54 0.77 0.58 0.38 -2.65 0.00 0.00 178.83 178.46 3k1a h ASP 38 N 1.20 0.74 0.10 -0.69 2.03 -1.99 0.10 116.42 117.91 3k1a h ASP 38 Ca 0.36 0.10 -0.21 0.00 -0.73 0.00 0.00 57.03 56.55 3k1a h ASP 38 Cb -0.06 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 3k1a h ASP 38 CO -0.10 0.26 -0.79 0.50 -1.03 0.00 0.00 179.24 178.08 3k1a h LYS 39 N 0.73 0.57 -0.14 4.15 3.11 -1.52 -1.82 116.57 121.65 3k1a h LYS 39 Ca 0.57 -0.49 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 3k1a h LYS 39 Cb 0.88 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 3k1a h LYS 39 CO -0.39 1.11 0.05 0.82 -2.81 0.00 0.00 179.45 178.23 3k1a h ILE 40 N 0.38 1.17 -0.84 2.00 2.04 -0.51 -0.82 117.51 120.93 3k1a h ILE 40 Ca -0.05 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3k1a h ILE 40 Cb 1.39 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 3k1a h ILE 40 CO 0.15 0.16 0.55 0.44 0.00 0.00 0.00 178.15 179.44 3k1a h ASP 41 N 0.05 0.93 -0.11 1.72 3.32 -0.83 0.85 116.42 122.34 3k1a h ASP 41 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3k1a h ASP 41 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3k1a h ASP 41 CO -0.00 0.65 0.06 -0.08 -1.72 0.00 0.00 179.24 178.15 3k1a h GLU 42 N 1.09 0.15 -0.52 3.56 4.81 -1.17 -1.06 114.58 121.44 3k1a h GLU 42 Ca 0.32 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 3k1a h GLU 42 Cb -0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3k1a h GLU 42 CO -0.09 0.19 0.02 0.28 -0.73 0.00 0.00 179.01 178.68 3k1a h VAL 43 N 0.07 1.25 -0.33 0.32 2.07 -0.86 -2.22 116.25 116.55 3k1a h VAL 43 Ca 0.04 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 3k1a h VAL 43 Cb 0.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3k1a h VAL 43 CO -0.01 0.36 0.10 0.15 0.02 0.00 0.00 177.57 178.19 3k1a h PHE 44 N 0.80 0.54 -0.76 1.57 3.57 -0.64 -1.77 116.94 120.25 3k1a h PHE 44 Ca 0.16 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3k1a h PHE 44 Cb 0.45 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3k1a h PHE 44 CO 0.03 0.55 0.37 0.37 -2.23 0.00 0.00 178.31 177.39 3k1a h GLN 45 N 0.38 1.08 -0.90 1.11 5.75 -1.13 -1.98 115.11 119.42 3k1a h GLN 45 Ca 0.11 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 3k1a h GLN 45 Cb 0.27 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3k1a h GLN 45 CO -0.00 0.84 0.59 2.35 -2.65 0.00 0.00 178.83 179.95 3k1a h TRP 46 N 1.06 1.05 0.00 3.99 7.01 -1.18 -1.90 115.95 125.98 3k1a h TRP 46 Ca 0.26 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.29 3k1a h TRP 46 Cb 0.10 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.82 3k1a h TRP 46 CO 0.01 0.57 0.00 0.25 -2.79 0.00 0.00 178.44 176.47 3k1a n THR 47 N -4.48 0.90 1.39 2.65 -2.24 -0.69 -2.10 114.28 109.71 3k1a n THR 47 Ca 0.13 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 3k1a n THR 47 Cb 0.18 -1.00 0.44 0.00 -2.10 0.00 0.00 70.33 67.85 3k1a n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3k1a n THR 48 N -1.65 0.00 -2.74 4.28 -2.24 -0.71 -4.82 114.28 106.39 3k1a n THR 48 Ca 0.03 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 3k1a n THR 48 Cb 0.20 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3k1a n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1a s THR 49 N -2.13 3.48 0.35 4.28 -4.23 -0.89 -4.31 115.64 112.19 3k1a s THR 49 Ca 0.34 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 3k1a s THR 49 Cb 0.20 -3.32 0.20 0.00 1.34 0.00 0.00 72.50 70.93 3k1a s THR 49 CO 0.38 -0.25 1.94 0.11 -0.54 0.00 0.00 174.62 176.26 3k1a h LYS 50 N 0.15 0.62 -0.15 3.99 1.79 -1.94 -2.60 116.57 118.43 3k1a h LYS 50 Ca -0.45 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 57.91 3k1a h LYS 50 Cb 1.27 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3k1a h LYS 50 CO 0.57 0.53 -0.02 0.93 -1.08 0.00 0.00 179.45 180.38 3k1a h GLU 51 N 0.62 0.27 -0.63 3.15 3.07 -1.94 -1.70 114.58 117.41 3k1a h GLU 51 Ca 0.15 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 3k1a h GLU 51 Cb 0.14 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3k1a h GLU 51 CO -0.01 0.52 0.32 -0.92 -1.40 0.00 0.00 179.01 177.52 3k1a h TYR 52 N -0.01 0.86 -0.53 4.33 3.20 -1.74 -2.67 116.97 120.40 3k1a h TYR 52 Ca 0.04 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3k1a h TYR 52 Cb 0.41 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3k1a h TYR 52 CO 0.04 0.62 0.15 0.37 -1.64 0.00 0.00 178.16 177.69 3k1a h GLN 53 N 0.88 0.84 -0.26 1.82 4.15 -1.23 0.43 115.11 121.73 3k1a h GLN 53 Ca 0.22 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3k1a h GLN 53 Cb 0.06 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3k1a h GLN 53 CO -0.03 0.79 0.06 0.93 -1.93 0.00 0.00 178.83 178.64 3k1a h GLU 54 N 0.74 0.15 -0.19 1.69 5.08 -1.11 0.19 114.58 121.13 3k1a h GLU 54 Ca 0.17 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3k1a h GLU 54 Cb 0.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3k1a h GLU 54 CO -0.00 0.10 0.03 -0.07 -1.00 0.00 0.00 179.01 178.07 3k1a h LEU 55 N 0.16 0.00 -0.64 1.33 4.07 -1.22 -2.57 115.31 116.44 3k1a h LEU 55 Ca 0.12 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.22 3k1a h LEU 55 Cb 0.12 0.04 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 3k1a h LEU 55 CO -0.15 0.03 0.20 -1.13 -1.08 0.00 0.00 178.44 176.31 3k1a h ASN 56 N 0.11 0.14 0.91 -0.43 -1.24 0.48 -2.07 115.58 113.47 3k1a h ASN 56 Ca 0.09 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3k1a h ASN 56 Cb 0.08 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3k1a h ASN 56 CO -0.12 0.07 -0.01 0.49 -1.29 0.00 0.00 177.43 176.57 3k1a n PHE 57 N -5.05 0.00 1.29 0.67 3.01 0.61 -2.93 117.46 115.05 3k1a n PHE 57 Ca 0.10 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.70 3k1a n PHE 57 Cb 0.33 -0.45 0.64 0.00 -0.01 0.00 0.00 39.48 39.99 3k1a n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3k1a n GLN 58 N -1.46 0.36 -1.70 -1.08 6.02 -0.78 -4.92 117.38 113.83 3k1a n GLN 58 Ca 0.08 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 3k1a n GLN 58 Cb 0.32 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 3k1a n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k1a n ARG 59 N -1.26 2.61 -0.07 -1.09 1.74 -1.15 -4.91 116.66 112.53 3k1a n ARG 59 Ca 0.12 0.94 -0.09 0.00 -0.77 0.00 0.00 57.85 58.05 3k1a n ARG 59 Cb 0.28 -2.77 -0.06 0.00 -1.02 0.00 0.00 32.46 28.88 3k1a n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3k1a n GLU 60 N 4.00 0.49 -0.11 5.56 1.02 -1.26 -4.89 120.64 125.45 3k1a n GLU 60 Ca 0.17 0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 57.21 3k1a n GLU 60 Cb 0.33 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 3k1a n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1a n ALA 61 N -2.86 1.53 -2.59 0.62 0.00 -1.26 -4.97 120.51 110.99 3k1a n ALA 61 Ca -0.24 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 51.88 3k1a n ALA 61 Cb 0.76 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 3k1a n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1a s LEU 62 N -6.41 4.39 -0.07 0.00 2.96 -1.26 -5.07 118.68 113.22 3k1a s LEU 62 Ca -0.29 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 3k1a s LEU 62 Cb 0.08 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 3k1a s LEU 62 CO 0.48 -0.15 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.42 3k1a s THR 63 N 0.62 3.78 -0.09 3.68 2.01 -1.26 -4.96 115.64 119.41 3k1a s THR 63 Ca 0.45 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 3k1a s THR 63 Cb -0.20 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.78 3k1a s THR 63 CO 0.25 0.59 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.04 3k1a s VAL 64 N -0.83 0.71 -0.93 3.82 1.01 -1.26 -4.90 120.40 118.03 3k1a s VAL 64 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 3k1a s VAL 64 Cb -0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3k1a s VAL 64 CO 0.02 0.31 0.76 0.59 0.00 0.00 0.00 175.10 176.78 3k1a n ASN 65 N 4.94 -6.44 -4.73 3.32 3.02 -1.26 -3.18 115.26 110.93 3k1a n ASN 65 Ca -0.11 -0.61 -0.35 0.00 -0.03 0.00 0.00 54.58 53.48 3k1a n ASN 65 Cb 0.50 -4.23 0.08 0.00 -0.61 0.00 0.00 39.78 35.52 3k1a n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3k1a s PRO 66 N -4.43 2.36 -0.70 3.52 0.04 -1.26 -1.54 135.00 132.99 3k1a s PRO 66 Ca 0.24 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.10 3k1a s PRO 66 Cb -0.06 -1.85 0.37 0.00 0.04 0.00 0.00 34.50 33.00 3k1a s PRO 66 CO 0.80 -1.68 1.63 0.00 0.04 0.00 0.00 177.00 177.79 3k1a n ALA 67 N -2.39 5.88 -3.51 8.56 0.00 -1.26 -4.79 120.51 122.99 3k1a n ALA 67 Ca 0.14 -4.26 -0.09 0.00 0.00 0.00 0.00 53.44 49.23 3k1a n ALA 67 Cb 0.50 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3k1a n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3k1a s LYS 68 N -3.87 1.02 0.22 0.00 -2.85 -1.26 -4.52 119.74 108.47 3k1a s LYS 68 Ca 0.50 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 3k1a s LYS 68 Cb 0.40 0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 36.62 3k1a s LYS 68 CO -0.30 -0.45 0.00 0.00 0.10 0.00 0.00 175.35 174.70 3k1a n ALA 69 N -0.31 0.19 -2.84 0.59 0.00 -1.26 -5.01 120.51 111.86 3k1a n ALA 69 Ca -0.11 -0.98 -0.24 0.00 0.00 0.00 0.00 53.44 52.11 3k1a n ALA 69 Cb 0.62 0.54 -0.04 0.00 0.00 0.00 0.00 19.45 20.57 3k1a n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1a h GLN 71 N 1.96 -0.12 -0.11 0.00 4.20 -1.80 -1.59 115.11 117.65 3k1a h GLN 71 Ca -0.48 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.27 3k1a h GLN 71 Cb 1.21 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3k1a h GLN 71 CO 0.63 -0.08 0.20 -1.00 -0.67 0.00 0.00 178.83 177.91 3k1a h PRO 72 N -0.12 0.00 -0.34 1.46 0.13 -1.81 0.40 132.00 131.72 3k1a h PRO 72 Ca 0.22 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.38 3k1a h PRO 72 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 3k1a h PRO 72 CO -0.82 0.00 0.15 1.25 -0.23 0.00 0.00 178.00 178.35 3k1a h LEU 73 N 0.00 0.20 -0.49 1.56 5.85 -1.59 -1.51 115.31 119.33 3k1a h LEU 73 Ca 0.05 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3k1a h LEU 73 Cb 0.45 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3k1a h LEU 73 CO -0.00 0.15 0.06 1.23 -0.34 0.00 0.00 178.44 179.55 3k1a h GLY 74 N 0.31 0.88 0.69 3.75 0.00 -0.87 -2.52 103.07 105.31 3k1a h GLY 74 Ca 0.14 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 46.96 3k1a h GLY 74 CO -0.12 0.55 0.64 0.00 0.00 0.00 0.00 176.54 177.61 3k1a h ALA 75 N 0.96 1.45 0.01 3.60 0.00 -1.33 0.10 119.26 124.04 3k1a h ALA 75 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k1a h ALA 75 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k1a h ALA 75 CO 0.01 0.38 -0.00 0.28 0.00 0.00 0.00 179.25 179.92 3k1a h VAL 76 N 1.12 1.19 -0.91 0.00 2.07 -1.14 -0.67 116.25 117.90 3k1a h VAL 76 Ca 0.44 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3k1a h VAL 76 Cb 0.25 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3k1a h VAL 76 CO -0.19 0.15 0.60 0.25 0.02 0.00 0.00 177.57 178.40 3k1a h LEU 77 N -0.25 1.02 -0.42 2.57 5.85 -0.99 0.15 115.31 123.24 3k1a h LEU 77 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3k1a h LEU 77 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3k1a h LEU 77 CO 0.00 0.73 0.22 0.00 -0.34 0.00 0.00 178.44 179.05 3k1a h ALA 79 N 1.07 0.94 0.00 0.00 0.00 -0.48 -2.48 119.26 118.31 3k1a h ALA 79 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k1a h ALA 79 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3k1a h ALA 79 CO -0.02 0.61 0.13 -0.07 0.00 0.00 0.00 179.25 179.91 3k1a h LEU 80 N 0.68 0.00 -0.31 0.00 4.07 -0.60 -2.54 115.31 116.61 3k1a h LEU 80 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3k1a h LEU 80 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3k1a h LEU 80 CO 0.05 0.00 -0.01 0.61 -1.08 0.00 0.00 178.44 178.01 3k1a n GLY 81 N -1.14 -0.71 3.72 0.83 0.00 -0.93 -4.52 105.19 102.43 3k1a n GLY 81 Ca -0.03 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3k1a n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1a s PHE 82 N -2.06 3.08 0.05 1.61 0.40 -0.96 -0.49 117.98 119.61 3k1a s PHE 82 Ca 0.43 0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.49 3k1a s PHE 82 Cb 0.21 -1.60 -0.09 0.00 0.51 0.00 0.00 43.02 42.06 3k1a s PHE 82 CO 0.37 0.49 1.78 -2.00 0.70 0.00 0.00 175.22 176.57 3k1a s GLU 83 N -2.17 4.16 -1.50 0.44 2.12 0.15 -2.91 118.70 118.99 3k1a s GLU 83 Ca 0.26 2.45 -0.13 0.00 0.36 0.00 0.00 54.97 57.91 3k1a s GLU 83 Cb -0.12 -3.81 0.09 0.00 0.26 0.00 0.00 34.13 30.55 3k1a s GLU 83 CO 0.18 -0.84 0.78 1.63 -0.54 0.00 0.00 175.26 176.47 3k1a n LYS 84 N 6.40 -4.37 -4.59 4.30 5.02 -1.26 -4.65 118.16 119.01 3k1a n LYS 84 Ca 0.18 0.53 -0.34 0.00 -2.02 0.00 0.00 58.31 56.66 3k1a n LYS 84 Cb 0.40 -5.34 -0.11 0.00 -0.02 0.00 0.00 35.03 29.96 3k1a n LYS 84 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3k1a s THR 85 N -3.18 3.74 -0.28 -0.18 -4.23 -1.15 -0.02 115.64 110.35 3k1a s THR 85 Ca 0.59 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 3k1a s THR 85 Cb -0.30 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 3k1a s THR 85 CO 0.72 0.58 0.40 -0.32 -0.54 0.00 0.00 174.62 175.46 3k1a s MET 86 N -0.62 3.96 0.28 3.99 1.75 -0.11 -4.75 119.30 123.79 3k1a s MET 86 Ca 0.09 0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.26 3k1a s MET 86 Cb -0.12 -3.68 -0.10 0.00 2.84 0.00 0.00 34.83 33.78 3k1a s MET 86 CO 0.02 -0.33 1.32 -1.25 -0.65 0.00 0.00 175.02 174.13 3k1a s PRO 87 N 2.11 4.37 -0.06 4.11 0.04 -1.26 -1.19 135.00 143.12 3k1a s PRO 87 Ca 0.16 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 3k1a s PRO 87 Cb -0.16 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.29 3k1a s PRO 87 CO 0.10 -0.22 0.02 -0.47 0.04 0.00 0.00 177.00 176.47 3k1a s TYR 88 N -0.60 0.44 -0.39 0.56 6.14 0.11 -1.48 117.35 122.13 3k1a s TYR 88 Ca 0.53 -0.02 -0.06 0.00 0.64 0.00 0.00 57.07 58.16 3k1a s TYR 88 Cb -0.39 -0.66 0.08 0.00 0.42 0.00 0.00 41.96 41.41 3k1a s TYR 88 CO 0.46 -0.26 0.19 0.08 0.64 0.00 0.00 175.55 176.66 3k1a s VAL 89 N 1.93 3.70 -0.03 3.14 1.01 -0.28 -0.30 120.40 129.59 3k1a s VAL 89 Ca 0.03 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 3k1a s VAL 89 Cb -0.12 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 3k1a s VAL 89 CO -0.04 -0.46 1.72 -2.28 0.00 0.00 0.00 175.10 174.04 3k1a s HIS 90 N 1.31 1.85 -5.00 5.22 2.46 0.16 -3.69 115.29 117.60 3k1a s HIS 90 Ca 0.03 0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.61 3k1a s HIS 90 Cb -0.22 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 3k1a s HIS 90 CO -0.00 -4.23 0.00 0.41 -2.47 0.00 0.00 174.74 168.45 3k1a n GLY 91 N 4.21 0.41 3.83 1.59 0.00 -1.26 -1.72 105.19 112.25 3k1a n GLY 91 Ca 0.18 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3k1a n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1a s SER 92 N -4.00 6.93 0.17 1.61 1.04 -1.26 -0.43 113.70 117.76 3k1a s SER 92 Ca 0.00 1.44 0.08 0.00 0.48 0.00 0.00 55.95 57.96 3k1a s SER 92 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 3k1a s SER 92 CO 0.00 -0.16 1.39 0.06 0.98 0.00 0.00 173.24 175.50 3k1a h GLN 93 N 2.57 0.00 -1.00 4.02 3.07 -1.91 -3.28 115.11 118.58 3k1a h GLN 93 Ca -0.48 0.00 0.27 0.00 0.09 0.00 0.00 58.65 58.53 3k1a h GLN 93 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.61 3k1a h GLN 93 CO 0.64 0.87 0.57 0.78 0.09 0.00 0.00 178.83 181.79 3k1a h GLY 94 N 2.66 1.94 0.47 0.06 0.00 -1.98 -0.90 103.07 105.33 3k1a h GLY 94 Ca -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.09 3k1a h GLY 94 CO 0.11 -0.33 -0.12 0.00 0.00 0.00 0.00 176.54 176.20 3k1a h VAL 96 N -0.13 1.26 -0.68 0.00 2.07 -1.37 0.44 116.25 117.84 3k1a h VAL 96 Ca 0.10 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.83 3k1a h VAL 96 Cb 0.28 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 3k1a h VAL 96 CO -0.25 0.36 0.30 0.00 0.02 0.00 0.00 177.57 178.00 3k1a h ALA 97 N 1.14 0.92 -0.27 1.67 0.00 -1.29 -1.71 119.26 119.73 3k1a h ALA 97 Ca 0.25 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3k1a h ALA 97 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k1a h ALA 97 CO -0.01 -0.13 -0.47 1.88 0.00 0.00 0.00 179.25 180.52 3k1a h TYR 98 N 0.50 0.98 0.05 0.00 0.05 -0.81 -2.60 116.97 115.14 3k1a h TYR 98 Ca 0.34 -0.34 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3k1a h TYR 98 Cb 0.42 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3k1a h TYR 98 CO -0.14 1.15 -0.03 0.74 -1.05 0.00 0.00 178.16 178.83 3k1a h PHE 99 N 0.54 -0.07 -0.10 4.88 0.04 -0.69 -1.04 116.94 120.50 3k1a h PHE 99 Ca 0.02 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3k1a h PHE 99 Cb 1.07 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 3k1a h PHE 99 CO 0.08 -0.04 -0.03 0.00 -0.60 0.00 0.00 178.31 177.72 3k1a h ARG 100 N -0.07 -0.00 -0.98 1.51 3.08 -1.39 -2.34 114.38 114.19 3k1a h ARG 100 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3k1a h ARG 100 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3k1a h ARG 100 CO 0.01 -0.00 0.64 0.77 -1.07 0.00 0.00 179.97 180.32 3k1a h SER 101 N -0.00 1.14 -0.01 7.04 0.02 -1.34 0.51 113.55 120.91 3k1a h SER 101 Ca 0.05 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3k1a h SER 101 Cb 0.07 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3k1a h SER 101 CO -0.10 0.83 0.00 0.22 -1.14 0.00 0.00 176.83 176.64 3k1a h TYR 102 N 1.34 0.01 -0.33 3.45 3.20 -0.98 -0.64 116.97 123.01 3k1a h TYR 102 Ca 0.36 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.07 3k1a h TYR 102 Cb -0.14 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3k1a h TYR 102 CO 0.00 0.13 -0.44 0.74 -1.64 0.00 0.00 178.16 176.96 3k1a h PHE 103 N -0.11 1.03 -0.47 -3.82 0.04 -1.19 -2.69 116.94 109.73 3k1a h PHE 103 Ca 0.00 -0.32 0.10 0.00 2.80 0.00 0.00 57.97 60.54 3k1a h PHE 103 Cb 0.13 -0.21 -0.10 0.00 2.20 0.00 0.00 35.95 37.97 3k1a h PHE 103 CO -0.03 1.13 -0.20 -0.91 -0.60 0.00 0.00 178.31 177.69 3k1a h ASN 104 N 0.68 -0.70 -0.12 2.17 2.35 0.19 -0.20 115.58 119.96 3k1a h ASN 104 Ca 0.04 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3k1a h ASN 104 Cb 1.02 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3k1a h ASN 104 CO 0.10 -0.23 -0.06 0.03 -1.65 0.00 0.00 177.43 175.61 3k1a h ARG 105 N -0.10 0.40 0.09 0.81 -0.00 -1.04 0.28 114.38 114.82 3k1a h ARG 105 Ca 0.22 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.98 59.48 3k1a h ARG 105 Cb 0.45 -0.06 0.01 0.00 0.00 0.00 0.00 29.97 30.37 3k1a h ARG 105 CO -0.54 0.48 -0.61 1.25 0.00 0.00 0.00 179.97 180.55 3k1a h HIS 106 N 0.38 0.37 0.00 3.04 2.76 -1.05 -3.37 115.15 117.27 3k1a h HIS 106 Ca 0.08 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 3k1a h HIS 106 Cb 0.36 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3k1a h HIS 106 CO 0.01 1.23 -0.85 1.19 -1.30 0.00 0.00 177.93 178.22 3k1a n PHE 107 N -4.27 0.40 -3.90 5.26 3.72 -0.15 -4.66 117.46 113.87 3k1a n PHE 107 Ca -0.14 0.12 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 3k1a n PHE 107 Cb 0.72 -0.54 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 3k1a n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k1a n ARG 108 N -2.03 -3.58 -4.19 -1.08 1.74 0.99 -4.98 116.66 103.52 3k1a n ARG 108 Ca 0.02 0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 57.44 3k1a n ARG 108 Cb 0.44 -4.65 -0.10 0.00 -1.02 0.00 0.00 32.46 27.13 3k1a n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3k1a s GLU 109 N -6.43 1.06 0.49 5.56 0.41 -1.23 -5.07 118.70 113.49 3k1a s GLU 109 Ca 0.01 -1.53 -0.22 0.00 -0.41 0.00 0.00 54.97 52.82 3k1a s GLU 109 Cb -0.00 0.13 -0.06 0.00 -1.78 0.00 0.00 34.13 32.42 3k1a s GLU 109 CO 0.87 -0.28 1.20 -2.14 -0.49 0.00 0.00 175.26 174.43 3k1a s PRO 110 N -4.06 3.54 -0.26 0.39 0.02 -1.26 -4.40 135.00 128.97 3k1a s PRO 110 Ca 0.29 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3k1a s PRO 110 Cb 0.07 -2.30 0.08 0.00 0.02 0.00 0.00 34.50 32.37 3k1a s PRO 110 CO 0.06 -0.75 0.08 0.08 -0.33 0.00 0.00 177.00 176.13 3k1a s VAL 111 N -1.52 0.62 -0.07 3.83 1.01 -1.26 -4.90 120.40 118.11 3k1a s VAL 111 Ca 0.67 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3k1a s VAL 111 Cb -0.30 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3k1a s VAL 111 CO 0.36 -0.50 0.60 -0.44 0.00 0.00 0.00 175.10 175.13 3k1a s SER 112 N 1.77 6.89 -0.25 3.32 0.01 -1.26 -4.82 113.70 119.35 3k1a s SER 112 Ca 0.05 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.11 3k1a s SER 112 Cb -0.17 -2.36 0.11 0.00 0.21 0.00 0.00 66.02 63.81 3k1a s SER 112 CO -0.20 -0.02 0.94 0.00 0.41 0.00 0.00 173.24 174.37 3k1a s VAL 114 N 0.04 2.12 0.21 0.00 -7.23 -0.55 -5.01 120.40 109.98 3k1a s VAL 114 Ca 0.01 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 3k1a s VAL 114 Cb -0.04 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 3k1a s VAL 114 CO -0.03 -0.15 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.95 3k1a s SER 115 N -3.62 2.45 -0.09 4.85 0.15 -1.26 -1.12 113.70 115.05 3k1a s SER 115 Ca 0.33 -1.07 0.16 0.00 0.70 0.00 0.00 55.95 56.08 3k1a s SER 115 Cb 0.05 -0.11 0.58 0.00 -1.71 0.00 0.00 66.02 64.82 3k1a s SER 115 CO 0.17 -0.25 1.49 -0.90 1.20 0.00 0.00 173.24 174.95 3k1a n ASP 116 N -0.40 4.09 -3.78 5.45 5.68 -1.24 -4.93 116.55 121.41 3k1a n ASP 116 Ca -0.08 -2.41 -0.35 0.00 -0.50 0.00 0.00 54.79 51.46 3k1a n ASP 116 Cb 0.61 -0.48 0.04 0.00 -1.14 0.00 0.00 41.12 40.15 3k1a n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3k1a n SER 117 N 0.71 -5.06 -4.71 -1.12 7.64 -1.17 -4.83 113.62 105.08 3k1a n SER 117 Ca 0.21 -1.08 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 3k1a n SER 117 Cb 0.75 -2.89 -0.03 0.00 -1.01 0.00 0.00 64.21 61.04 3k1a n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3k1a s MET 118 N -6.28 4.40 0.51 1.43 -1.94 0.42 -4.92 119.30 112.93 3k1a s MET 118 Ca 0.46 1.84 0.05 0.00 -1.71 0.00 0.00 55.69 56.32 3k1a s MET 118 Cb -0.19 -3.33 0.05 0.00 2.01 0.00 0.00 34.83 33.37 3k1a s MET 118 CO 0.89 -0.30 0.38 0.25 -0.01 0.00 0.00 175.02 176.23 3k1a n THR 119 N 3.95 0.00 -0.29 2.05 -2.24 -1.26 -4.27 114.28 112.21 3k1a n THR 119 Ca 0.10 -2.05 0.02 0.00 -2.27 0.00 0.00 64.05 59.85 3k1a n THR 119 Cb 0.45 -0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.71 3k1a n THR 119 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3k1a n GLU 120 N -1.70 -0.13 0.21 -0.78 4.07 -1.26 -1.78 120.64 119.28 3k1a n GLU 120 Ca -0.02 1.21 0.08 0.00 -0.06 0.00 0.00 57.16 58.37 3k1a n GLU 120 Cb 0.59 -1.81 0.43 0.00 -0.06 0.00 0.00 31.44 30.59 3k1a n GLU 120 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 3k1a h ASP 121 N 0.00 0.00 0.67 4.31 2.03 -1.99 -2.66 116.42 118.78 3k1a h ASP 121 Ca 0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.59 3k1a h ASP 121 Cb 0.52 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 3k1a h ASP 121 CO -0.79 0.28 -0.16 0.00 -1.03 0.00 0.00 179.24 177.53 3k1a h ALA 122 N 1.72 1.12 -0.53 4.15 0.00 -1.59 -2.66 119.26 121.48 3k1a h ALA 122 Ca -0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3k1a h ALA 122 Cb 0.78 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3k1a h ALA 122 CO 0.04 0.20 0.35 0.00 0.00 0.00 0.00 179.25 179.84 3k1a h ALA 123 N 1.84 1.82 0.19 0.00 0.00 -1.53 0.79 119.26 122.36 3k1a h ALA 123 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 3k1a h ALA 123 Cb 0.54 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3k1a h ALA 123 CO 0.02 0.11 -1.70 0.28 0.00 0.00 0.00 179.25 177.96 3k1a h VAL 124 N 0.53 1.00 0.00 0.00 2.07 -1.65 -3.42 116.25 114.79 3k1a h VAL 124 Ca 0.22 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3k1a h VAL 124 Cb 0.20 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3k1a h VAL 124 CO -0.06 0.85 0.00 0.49 0.02 0.00 0.00 177.57 178.87 3k1a n PHE 125 N -3.59 0.00 0.00 1.57 3.72 -1.13 -5.12 117.46 112.90 3k1a n PHE 125 Ca -0.23 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3k1a n PHE 125 Cb 1.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3k1a n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1a n GLY 126 N -0.15 0.48 1.93 1.37 0.00 0.27 -4.76 105.19 104.33 3k1a n GLY 126 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 3k1a n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 127 N 0.72 3.83 0.11 -0.02 0.00 -1.26 -4.57 105.19 103.99 3k1a n GLY 127 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3k1a n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k1a h GLN 128 N 2.40 -0.18 -0.24 1.61 5.75 -1.95 -2.19 115.11 120.31 3k1a h GLN 128 Ca 0.28 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.75 3k1a h GLN 128 Cb 2.31 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.89 3k1a h GLN 128 CO 0.73 0.00 -0.06 0.37 -2.65 0.00 0.00 178.83 177.22 3k1a h GLN 129 N -0.33 0.37 -0.45 1.69 5.75 -1.95 -1.99 115.11 118.19 3k1a h GLN 129 Ca -0.02 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3k1a h GLN 129 Cb 0.26 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3k1a h GLN 129 CO 0.03 0.45 0.28 -0.91 -2.65 0.00 0.00 178.83 176.03 3k1a h ASN 130 N 0.35 0.47 -0.18 -0.69 2.35 -1.83 -1.24 115.58 114.82 3k1a h ASN 130 Ca 0.07 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3k1a h ASN 130 Cb 0.34 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3k1a h ASN 130 CO 0.02 0.34 0.10 -0.03 -1.65 0.00 0.00 177.43 176.20 3k1a h MET 131 N 0.57 0.24 0.47 0.81 4.05 -0.78 0.59 114.93 120.87 3k1a h MET 131 Ca 0.17 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3k1a h MET 131 Cb -0.02 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3k1a h MET 131 CO -0.06 0.22 -0.27 0.87 0.23 0.00 0.00 176.91 177.90 3k1a h LYS 132 N 0.20 -0.67 -0.34 0.39 1.57 -1.19 -0.73 116.57 115.81 3k1a h LYS 132 Ca 0.06 0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 3k1a h LYS 132 Cb 0.04 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3k1a h LYS 132 CO -0.01 -0.44 -0.43 -0.44 -0.57 0.00 0.00 179.45 177.56 3k1a h ASP 133 N -0.69 0.96 -0.09 0.86 3.32 -1.26 -2.99 116.42 116.52 3k1a h ASP 133 Ca -0.06 -0.49 0.04 0.00 0.02 0.00 0.00 57.03 56.54 3k1a h ASP 133 Cb 0.56 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3k1a h ASP 133 CO 0.07 1.26 -0.21 1.23 -1.72 0.00 0.00 179.24 179.88 3k1a h GLY 134 N 0.68 -0.22 0.92 2.75 0.00 0.27 0.49 103.07 107.97 3k1a h GLY 134 Ca 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3k1a h GLY 134 CO 0.10 -0.18 0.05 1.41 0.00 0.00 0.00 176.54 177.92 3k1a h LEU 135 N -0.28 0.13 -1.13 3.11 3.38 -1.20 -1.06 115.31 118.24 3k1a h LEU 135 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3k1a h LEU 135 Cb 0.41 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k1a h LEU 135 CO -0.25 0.18 0.40 -0.61 0.09 0.00 0.00 178.44 178.25 3k1a h GLN 136 N 0.06 1.00 -0.13 1.13 4.15 -1.39 0.91 115.11 120.85 3k1a h GLN 136 Ca 0.04 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 3k1a h GLN 136 Cb 0.09 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3k1a h GLN 136 CO -0.01 0.73 -0.19 -0.91 -1.93 0.00 0.00 178.83 176.53 3k1a h ASN 137 N 1.01 0.38 -0.14 -0.69 2.35 -0.73 -2.47 115.58 115.30 3k1a h ASN 137 Ca 0.26 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3k1a h ASN 137 Cb 0.02 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3k1a h ASN 137 CO -0.04 0.84 0.05 0.00 -1.65 0.00 0.00 177.43 176.62 3k1a h LYS 139 N 0.05 0.70 -0.00 0.00 3.11 -0.87 -0.97 116.57 118.59 3k1a h LYS 139 Ca 0.05 -0.04 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 3k1a h LYS 139 Cb 0.21 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.29 3k1a h LYS 139 CO -0.00 0.46 -0.66 0.00 -2.81 0.00 0.00 179.45 176.44 3k1a h ALA 140 N 1.44 0.08 0.18 5.00 0.00 -1.35 -2.88 119.26 121.73 3k1a h ALA 140 Ca 0.38 -0.59 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 3k1a h ALA 140 Cb 0.36 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3k1a h ALA 140 CO -0.25 0.39 -1.08 1.15 0.00 0.00 0.00 179.25 179.46 3k1a h THR 141 N -0.04 1.41 0.00 0.00 2.02 -0.75 -3.36 112.91 112.19 3k1a h THR 141 Ca -0.08 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.52 3k1a h THR 141 Cb 1.37 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.87 3k1a h THR 141 CO 0.13 0.75 -0.70 -1.22 0.37 0.00 0.00 175.52 174.85 3k1a n TYR 142 N -3.96 0.00 -3.75 3.16 4.01 -0.39 -5.04 117.16 111.19 3k1a n TYR 142 Ca -0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.33 3k1a n TYR 142 Cb 0.93 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.98 3k1a n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3k1a n LYS 143 N -1.36 -3.06 -1.97 -0.72 5.02 -1.09 -4.99 118.16 110.00 3k1a n LYS 143 Ca 0.03 0.51 -0.31 0.00 -2.02 0.00 0.00 58.31 56.51 3k1a n LYS 143 Cb 0.23 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 3k1a n LYS 143 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3k1a s PRO 144 N -6.09 3.66 0.08 1.97 0.04 -1.26 -4.98 135.00 128.43 3k1a s PRO 144 Ca 0.18 0.78 0.26 0.00 0.04 0.00 0.00 61.00 62.26 3k1a s PRO 144 Cb -0.06 -2.09 0.72 0.00 0.04 0.00 0.00 34.50 33.11 3k1a s PRO 144 CO 0.85 -0.51 1.61 -0.25 0.04 0.00 0.00 177.00 178.73 3k1a n ASP 145 N -2.54 0.49 -3.58 6.66 8.00 0.96 -4.92 116.55 121.63 3k1a n ASP 145 Ca 0.06 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.63 3k1a n ASP 145 Cb 0.54 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 3k1a n ASP 145 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3k1a s MET 146 N -3.07 0.96 -0.14 -1.24 1.75 -1.16 -4.36 119.30 112.04 3k1a s MET 146 Ca 0.10 0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 3k1a s MET 146 Cb 0.16 0.45 0.03 0.00 2.84 0.00 0.00 34.83 38.30 3k1a s MET 146 CO 0.64 -0.29 -0.12 0.42 -0.65 0.00 0.00 175.02 175.02 3k1a s ILE 147 N -1.23 1.41 -0.39 10.11 1.01 -0.70 -0.93 121.20 130.47 3k1a s ILE 147 Ca -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 3k1a s ILE 147 Cb -0.01 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3k1a s ILE 147 CO 0.09 0.40 0.27 0.00 0.00 0.00 0.00 174.94 175.70 3k1a s ALA 148 N 1.55 3.45 -0.21 9.38 0.00 -0.33 -3.38 121.76 132.22 3k1a s ALA 148 Ca 0.04 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 3k1a s ALA 148 Cb -0.13 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 3k1a s ALA 148 CO -0.10 -1.33 0.26 0.08 0.00 0.00 0.00 175.76 174.67 3k1a s VAL 149 N 1.67 5.30 0.18 0.00 1.01 0.18 -0.71 120.40 128.03 3k1a s VAL 149 Ca 0.05 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.47 3k1a s VAL 149 Cb -0.19 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 3k1a s VAL 149 CO 0.10 0.33 0.03 -1.54 0.00 0.00 0.00 175.10 174.02 3k1a n SER 150 N 4.15 1.78 -4.10 3.32 3.41 0.60 -0.93 113.62 121.84 3k1a n SER 150 Ca -0.12 -1.88 -0.13 0.00 -0.26 0.00 0.00 58.87 56.47 3k1a n SER 150 Cb 0.52 0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 3k1a n SER 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1a s THR 151 N -1.96 0.68 0.46 6.66 -4.23 -1.25 0.37 115.64 116.37 3k1a s THR 151 Ca 0.04 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3k1a s THR 151 Cb 0.00 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.94 3k1a s THR 151 CO 0.03 -0.46 0.64 0.42 -0.54 0.00 0.00 174.62 174.71 3k1a s THR 152 N -1.85 2.95 0.26 3.99 -4.23 -0.70 -4.52 115.64 111.54 3k1a s THR 152 Ca -0.04 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 3k1a s THR 152 Cb -0.07 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.85 3k1a s THR 152 CO -0.00 -0.01 1.75 0.00 -0.54 0.00 0.00 174.62 175.81 3k1a h MET 154 N 0.71 -0.18 -0.35 0.00 1.85 -1.96 0.19 114.93 115.18 3k1a h MET 154 Ca 0.13 0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 3k1a h MET 154 Cb 0.49 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 3k1a h MET 154 CO 0.02 -0.12 -0.06 0.00 -0.40 0.00 0.00 176.91 176.35 3k1a h ALA 155 N 0.95 1.24 -0.17 0.39 0.00 -1.76 -2.07 119.26 117.85 3k1a h ALA 155 Ca 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3k1a h ALA 155 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k1a h ALA 155 CO -0.57 0.50 -0.14 0.93 0.00 0.00 0.00 179.25 179.97 3k1a h GLU 156 N 0.54 0.40 -0.87 0.00 4.39 -0.93 -2.24 114.58 115.86 3k1a h GLU 156 Ca 0.11 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3k1a h GLU 156 Cb 0.44 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3k1a h GLU 156 CO 0.02 0.75 0.54 0.28 -1.16 0.00 0.00 179.01 179.44 3k1a h VAL 157 N 0.06 1.24 0.00 3.13 2.07 -0.47 -2.04 116.25 120.23 3k1a h VAL 157 Ca 0.03 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3k1a h VAL 157 Cb 0.66 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3k1a h VAL 157 CO 0.04 0.24 0.00 2.30 0.02 0.00 0.00 177.57 180.17 3k1a n ILE 158 N -4.43 0.52 -2.28 4.57 -5.35 -0.79 -4.94 119.36 106.65 3k1a n ILE 158 Ca 0.09 -0.14 -0.01 0.00 -0.27 0.00 0.00 62.75 62.42 3k1a n ILE 158 Cb 0.05 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 3k1a n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k1a n GLY 159 N 1.13 0.59 3.66 3.28 0.00 -0.77 -4.98 105.19 108.10 3k1a n GLY 159 Ca 0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3k1a n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1a s ASP 160 N -2.98 6.64 -0.72 1.61 1.01 -1.04 -4.92 116.67 116.27 3k1a s ASP 160 Ca 0.02 2.31 -0.26 0.00 0.71 0.00 0.00 52.55 55.32 3k1a s ASP 160 Cb -0.01 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 3k1a s ASP 160 CO 0.02 -0.94 1.73 -0.62 0.21 0.00 0.00 175.17 175.57 3k1a s ASP 161 N 3.45 5.50 0.22 0.27 -1.08 -1.26 -4.87 116.67 118.91 3k1a s ASP 161 Ca 0.76 -0.14 -0.08 0.00 -0.52 0.00 0.00 52.55 52.57 3k1a s ASP 161 Cb -0.35 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 38.85 3k1a s ASP 161 CO 0.31 -2.28 1.82 -0.07 0.52 0.00 0.00 175.17 175.47 3k1a h LEU 162 N 15.79 0.64 0.17 -1.34 3.38 -1.99 -1.76 115.31 130.20 3k1a h LEU 162 Ca -0.16 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3k1a h LEU 162 Cb 1.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3k1a h LEU 162 CO 1.24 0.41 -0.18 -1.13 0.09 0.00 0.00 178.44 178.88 3k1a h ASN 163 N 0.78 -0.48 -0.21 -0.43 -1.24 -2.00 -1.54 115.58 110.46 3k1a h ASN 163 Ca 0.33 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 3k1a h ASN 163 Cb 0.20 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3k1a h ASN 163 CO -0.19 -0.26 0.08 0.00 -1.29 0.00 0.00 177.43 175.77 3k1a h ALA 164 N 0.41 0.27 -0.82 1.57 0.00 -1.95 -1.04 119.26 117.69 3k1a h ALA 164 Ca 0.01 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3k1a h ALA 164 Cb 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3k1a h ALA 164 CO -0.05 -0.14 0.54 0.74 0.00 0.00 0.00 179.25 180.33 3k1a h PHE 165 N 0.18 0.73 0.20 0.00 -1.00 -1.17 0.31 116.94 116.19 3k1a h PHE 165 Ca 0.07 0.02 -0.28 0.00 2.81 0.00 0.00 57.97 60.59 3k1a h PHE 165 Cb 0.17 -0.23 0.03 0.00 3.61 0.00 0.00 35.95 39.53 3k1a h PHE 165 CO -0.01 0.30 -1.21 0.82 -1.61 0.00 0.00 178.31 176.60 3k1a h ILE 166 N 0.64 1.37 -0.51 -0.55 2.04 -1.11 -2.53 117.51 116.86 3k1a h ILE 166 Ca 0.40 -2.61 0.06 0.00 1.00 0.00 0.00 64.86 63.70 3k1a h ILE 166 Cb 0.65 3.08 -0.05 0.00 -0.74 0.00 0.00 36.82 39.75 3k1a h ILE 166 CO -0.16 0.77 0.22 0.78 0.00 0.00 0.00 178.15 179.76 3k1a h ASN 167 N -0.04 0.28 -0.45 1.72 2.35 -0.54 -2.00 115.58 116.89 3k1a h ASN 167 Ca -0.21 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3k1a h ASN 167 Cb 1.95 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.30 3k1a h ASN 167 CO 0.23 0.19 -0.02 0.78 -1.65 0.00 0.00 177.43 176.97 3k1a h ASN 168 N 0.43 0.85 -0.94 5.81 -0.26 -0.49 0.27 115.58 121.25 3k1a h ASN 168 Ca 0.24 -0.22 0.03 0.00 -0.56 0.00 0.00 56.30 55.79 3k1a h ASN 168 Cb 0.20 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 37.18 3k1a h ASN 168 CO -0.20 0.92 0.61 0.28 -1.06 0.00 0.00 177.43 177.98 3k1a h SER 169 N 0.81 1.02 -0.07 5.81 0.02 -1.05 0.30 113.55 120.39 3k1a h SER 169 Ca 0.15 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 3k1a h SER 169 Cb 0.51 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3k1a h SER 169 CO 0.03 0.70 -0.75 0.11 -1.14 0.00 0.00 176.83 175.78 3k1a h LYS 170 N 1.19 0.64 -0.31 3.45 1.57 -1.08 -0.16 116.57 121.87 3k1a h LYS 170 Ca 0.37 -0.59 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3k1a h LYS 170 Cb -0.00 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3k1a h LYS 170 CO -0.12 1.20 0.00 -0.22 -0.57 0.00 0.00 179.45 179.74 3k1a h LYS 171 N 0.29 0.09 0.00 3.15 3.64 0.03 -2.20 116.57 121.57 3k1a h LYS 171 Ca -0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3k1a h LYS 171 Cb 1.41 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3k1a h LYS 171 CO 0.15 0.06 0.00 0.39 -2.27 0.00 0.00 179.45 177.78 3k1a n GLU 172 N -5.17 0.35 -0.75 1.90 4.71 1.00 -4.91 120.64 117.77 3k1a n GLU 172 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3k1a n GLU 172 Cb 0.16 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 3k1a n GLU 172 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k1a n GLY 173 N 0.67 0.59 0.23 0.62 0.00 -0.83 -4.95 105.19 101.53 3k1a n GLY 173 Ca 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 3k1a n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k1a h PHE 174 N 0.00 0.48 -3.92 1.61 -1.00 -1.26 -3.44 116.94 109.41 3k1a h PHE 174 Ca 0.00 -0.11 -0.27 0.00 2.81 0.00 0.00 57.97 60.40 3k1a h PHE 174 Cb 0.00 -0.11 -0.20 0.00 3.61 0.00 0.00 35.95 39.25 3k1a h PHE 174 CO 0.00 0.68 -0.73 0.96 -1.61 0.00 0.00 178.31 177.61 3k1a s ILE 175 N -4.41 0.62 0.49 -0.55 -4.36 -1.20 -4.26 121.20 107.53 3k1a s ILE 175 Ca -0.06 -1.31 -0.23 0.00 -0.26 0.00 0.00 60.65 58.78 3k1a s ILE 175 Cb 0.14 -0.91 -0.06 0.00 1.25 0.00 0.00 42.46 42.87 3k1a s ILE 175 CO 0.79 -0.50 1.34 -2.84 0.24 0.00 0.00 174.94 173.97 3k1a s PRO 176 N -2.16 3.45 0.45 0.37 0.02 -1.26 -4.40 135.00 131.47 3k1a s PRO 176 Ca -0.04 2.20 0.23 0.00 0.02 0.00 0.00 61.00 63.41 3k1a s PRO 176 Cb -0.06 -2.43 1.02 0.00 0.02 0.00 0.00 34.50 33.05 3k1a s PRO 176 CO -0.01 -0.93 1.89 0.22 -0.33 0.00 0.00 177.00 177.84 3k1a h ASP 177 N 1.89 0.00 0.02 2.53 3.58 -1.98 -1.51 116.42 120.95 3k1a h ASP 177 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3k1a h ASP 177 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3k1a h ASP 177 CO 0.59 0.24 -0.03 -1.84 -2.88 0.00 0.00 179.24 175.33 3k1a n GLU 178 N -3.59 1.46 -2.35 0.28 0.00 -1.26 -4.86 120.64 110.31 3k1a n GLU 178 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 57.16 55.97 3k1a n GLU 178 Cb 0.38 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.31 3k1a n GLU 178 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3k1a s PHE 179 N -2.06 3.02 -0.16 -1.84 5.36 -0.57 -4.97 117.98 116.76 3k1a s PHE 179 Ca 0.38 1.03 -0.29 0.00 -0.96 0.00 0.00 56.93 57.08 3k1a s PHE 179 Cb 0.21 -3.53 -0.03 0.00 -0.34 0.00 0.00 43.02 39.33 3k1a s PHE 179 CO 0.36 -1.84 1.44 -2.14 -1.46 0.00 0.00 175.22 171.58 3k1a s PRO 180 N 2.36 4.12 -0.51 10.12 0.02 -1.26 -4.95 135.00 144.90 3k1a s PRO 180 Ca 0.59 1.77 0.07 0.00 0.02 0.00 0.00 61.00 63.45 3k1a s PRO 180 Cb -0.28 -3.88 0.24 0.00 0.02 0.00 0.00 34.50 30.60 3k1a s PRO 180 CO 0.24 -0.88 0.58 0.28 -0.33 0.00 0.00 177.00 176.89 3k1a n VAL 181 N 5.65 0.56 -2.24 3.83 0.31 -1.26 -1.73 118.33 123.47 3k1a n VAL 181 Ca 0.16 -4.47 -0.35 0.00 -0.01 0.00 0.00 64.34 59.67 3k1a n VAL 181 Cb 0.44 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3k1a n VAL 181 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3k1a s PRO 182 N -1.56 3.39 0.18 5.55 0.04 -1.22 -4.87 135.00 136.51 3k1a s PRO 182 Ca 0.36 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3k1a s PRO 182 Cb 0.13 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 3k1a s PRO 182 CO -0.09 -0.83 0.04 -0.59 0.04 0.00 0.00 177.00 175.57 3k1a s PHE 183 N -1.72 1.20 -0.27 0.56 -0.71 -1.26 -0.65 117.98 115.13 3k1a s PHE 183 Ca 0.72 -1.13 -0.21 0.00 -1.04 0.00 0.00 56.93 55.27 3k1a s PHE 183 Cb -0.25 -0.68 0.07 0.00 -1.21 0.00 0.00 43.02 40.95 3k1a s PHE 183 CO 0.29 -0.34 0.70 0.00 -1.34 0.00 0.00 175.22 174.53 3k1a s ALA 184 N -3.80 -1.81 -0.09 1.99 0.00 -0.11 -4.49 121.76 113.45 3k1a s ALA 184 Ca 0.28 2.19 -0.30 0.00 0.00 0.00 0.00 51.96 54.13 3k1a s ALA 184 Cb 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 3k1a s ALA 184 CO 0.06 -0.35 1.09 -1.01 0.00 0.00 0.00 175.76 175.55 3k1a s HIS 185 N 0.95 3.36 -0.51 0.00 3.76 -1.26 -3.91 115.29 117.68 3k1a s HIS 185 Ca -0.05 1.42 0.06 0.00 -0.15 0.00 0.00 55.06 56.35 3k1a s HIS 185 Cb -0.05 -3.29 0.22 0.00 1.11 0.00 0.00 32.58 30.57 3k1a s HIS 185 CO -0.08 -0.71 0.54 0.25 -0.85 0.00 0.00 174.74 173.89 3k1a n THR 186 N 4.64 0.35 -2.32 1.30 -2.24 -1.26 -4.92 114.28 109.82 3k1a n THR 186 Ca 0.10 -4.34 -0.42 0.00 -2.27 0.00 0.00 64.05 57.12 3k1a n THR 186 Cb 0.47 -1.97 -0.03 0.00 -2.10 0.00 0.00 70.33 66.71 3k1a n THR 186 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3k1a s PRO 187 N -1.32 4.34 0.54 -0.78 0.02 -1.26 -4.13 135.00 132.41 3k1a s PRO 187 Ca 0.35 1.86 0.30 0.00 0.02 0.00 0.00 61.00 63.53 3k1a s PRO 187 Cb 0.11 -3.46 1.52 0.00 0.02 0.00 0.00 34.50 32.69 3k1a s PRO 187 CO -0.11 -0.44 2.08 0.66 -0.33 0.00 0.00 177.00 178.86 3k1a h SER 188 N 7.33 0.00 -0.32 2.53 4.64 -1.90 -2.26 113.55 123.57 3k1a h SER 188 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3k1a h SER 188 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3k1a h SER 188 CO 0.87 0.09 0.00 2.22 -0.87 0.00 0.00 176.83 179.14 3k1a n PHE 189 N -3.46 0.48 -4.23 4.77 1.16 -1.26 -4.55 117.46 110.37 3k1a n PHE 189 Ca -0.01 -0.23 -0.29 0.00 -1.87 0.00 0.00 57.45 55.05 3k1a n PHE 189 Cb 0.24 -0.03 -0.17 0.00 -1.61 0.00 0.00 39.48 37.92 3k1a n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k1a s VAL 190 N -1.58 1.52 0.00 1.97 1.01 -0.85 -5.07 120.40 117.40 3k1a s VAL 190 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3k1a s VAL 190 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3k1a s VAL 190 CO 0.14 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3k1a n GLY 191 N 4.50 2.90 2.26 4.51 0.00 -1.26 -4.71 105.19 113.38 3k1a n GLY 191 Ca -0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3k1a n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1a n SER 192 N 4.36 -0.95 -0.31 1.61 3.41 -1.26 -4.88 113.62 115.60 3k1a n SER 192 Ca 0.00 -2.24 0.24 0.00 -0.26 0.00 0.00 58.87 56.61 3k1a n SER 192 Cb 0.00 1.75 0.55 0.00 -0.26 0.00 0.00 64.21 66.25 3k1a n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3k1a h HIS 193 N 1.67 0.54 0.00 7.33 2.07 -1.09 0.57 115.15 126.23 3k1a h HIS 193 Ca -0.18 0.02 -0.08 0.00 -2.85 0.00 0.00 60.37 57.27 3k1a h HIS 193 Cb 0.79 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 3k1a h HIS 193 CO 0.00 0.06 -0.39 -0.39 -3.07 0.00 0.00 177.93 174.14 3k1a h VAL 194 N 0.33 1.27 -0.30 6.12 -1.51 -1.86 -2.71 116.25 117.58 3k1a h VAL 194 Ca 0.57 -1.33 -0.13 0.00 -1.23 0.00 0.00 66.70 64.58 3k1a h VAL 194 Cb 1.57 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 3k1a h VAL 194 CO -0.24 0.38 -0.35 0.74 -1.23 0.00 0.00 177.57 176.87 3k1a h THR 195 N 0.00 1.29 -0.48 7.19 2.02 -1.17 -2.60 112.91 119.16 3k1a h THR 195 Ca -0.00 -1.49 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 3k1a h THR 195 Cb 0.69 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3k1a h THR 195 CO 0.05 0.48 0.10 1.23 0.37 0.00 0.00 175.52 177.75 3k1a h GLY 196 N 0.99 0.78 1.00 2.16 0.00 -1.36 0.64 103.07 107.28 3k1a h GLY 196 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3k1a h GLY 196 CO 0.07 0.42 -0.23 -0.25 0.00 0.00 0.00 176.54 176.55 3k1a h TRP 197 N 0.70 -0.59 -0.16 5.60 7.01 -1.32 0.55 115.95 127.74 3k1a h TRP 197 Ca 0.16 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.19 3k1a h TRP 197 Cb 0.29 0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 3k1a h TRP 197 CO 0.01 -0.37 -0.20 0.22 -2.79 0.00 0.00 178.44 175.32 3k1a h ASP 198 N -0.65 -0.63 -0.37 2.65 3.58 -1.25 -0.16 116.42 119.60 3k1a h ASP 198 Ca -0.07 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3k1a h ASP 198 Cb 0.49 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 3k1a h ASP 198 CO 0.11 -0.25 0.17 0.78 -2.88 0.00 0.00 179.24 177.17 3k1a h ASN 199 N -0.24 0.24 -0.49 2.28 2.35 -0.84 -1.34 115.58 117.55 3k1a h ASN 199 Ca 0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3k1a h ASN 199 Cb 0.40 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3k1a h ASN 199 CO -0.30 0.18 0.25 -0.03 -1.65 0.00 0.00 177.43 175.88 3k1a h MET 200 N 0.36 0.70 -0.21 0.81 4.05 -0.62 -1.79 114.93 118.23 3k1a h MET 200 Ca 0.16 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3k1a h MET 200 Cb 0.08 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 3k1a h MET 200 CO -0.12 0.57 0.06 0.35 0.23 0.00 0.00 176.91 178.00 3k1a h PHE 201 N 0.65 0.35 -0.74 1.39 3.57 -0.79 -1.59 116.94 119.78 3k1a h PHE 201 Ca 0.17 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3k1a h PHE 201 Cb 0.09 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3k1a h PHE 201 CO -0.01 0.44 0.47 1.49 -2.23 0.00 0.00 178.31 178.47 3k1a h GLU 202 N 0.17 0.90 -0.91 1.11 4.22 -1.22 0.14 114.58 118.98 3k1a h GLU 202 Ca 0.07 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.50 3k1a h GLU 202 Cb 0.26 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3k1a h GLU 202 CO -0.00 0.60 0.58 0.78 -2.18 0.00 0.00 179.01 178.79 3k1a h GLY 203 N 0.93 1.34 1.37 1.92 0.00 -1.06 0.25 103.07 107.83 3k1a h GLY 203 Ca 0.29 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 3k1a h GLY 203 CO -0.10 0.36 -0.72 -2.22 0.00 0.00 0.00 176.54 173.85 3k1a h ILE 204 N 1.11 1.32 0.42 2.60 2.04 -0.79 -1.91 117.51 122.31 3k1a h ILE 204 Ca 0.37 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 3k1a h ILE 204 Cb 0.05 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3k1a h ILE 204 CO -0.14 0.62 -0.21 0.00 0.00 0.00 0.00 178.15 178.42 3k1a h ALA 205 N 0.76 -0.58 -0.67 1.87 0.00 -0.23 -2.87 119.26 117.54 3k1a h ALA 205 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3k1a h ALA 205 Cb 1.32 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 3k1a h ALA 205 CO 0.14 -0.83 0.16 0.00 0.00 0.00 0.00 179.25 178.72 3k1a h ARG 206 N -0.58 0.27 -0.50 0.00 3.08 -0.54 -2.78 114.38 113.32 3k1a h ARG 206 Ca -0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3k1a h ARG 206 Cb 0.45 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3k1a h ARG 206 CO 0.09 0.18 0.28 -0.92 -1.07 0.00 0.00 179.97 178.52 3k1a h TYR 207 N 0.28 0.51 -0.01 3.04 3.20 -1.13 0.06 116.97 122.91 3k1a h TYR 207 Ca 0.36 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3k1a h TYR 207 Cb 0.57 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3k1a h TYR 207 CO -0.25 0.27 -0.08 1.19 -1.64 0.00 0.00 178.16 177.65 3k1a n PHE 208 N -4.85 0.00 0.00 -3.82 3.72 -1.11 -4.61 117.46 106.79 3k1a n PHE 208 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3k1a n PHE 208 Cb 0.11 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3k1a n PHE 208 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3k1a n THR 209 N -0.12 0.00 -0.24 4.37 -1.04 -1.05 -4.45 114.28 111.75 3k1a n THR 209 Ca 0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.22 3k1a n THR 209 Cb 0.35 -0.07 0.16 0.00 -1.82 0.00 0.00 70.33 68.95 3k1a n THR 209 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3k1a h LEU 210 N 0.00 0.00 -3.83 -4.42 5.85 -1.17 -1.66 115.31 110.08 3k1a h LEU 210 Ca 0.00 0.14 -0.53 0.00 0.84 0.00 0.00 57.88 58.33 3k1a h LEU 210 Cb 0.08 0.19 -0.29 0.00 0.37 0.00 0.00 40.66 41.01 3k1a h LEU 210 CO 0.00 -0.03 0.33 0.29 -0.34 0.00 0.00 178.44 178.70 3k1a n LYS 211 N -5.15 2.62 -0.29 1.25 5.02 -1.26 -4.30 118.16 116.05 3k1a n LYS 211 Ca 0.13 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 3k1a n LYS 211 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3k1a n LYS 211 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3k1a n SER 212 N -0.97 0.03 0.12 4.39 7.64 -0.62 -4.96 113.62 119.26 3k1a n SER 212 Ca 0.53 -1.60 -0.02 0.00 1.01 0.00 0.00 58.87 58.80 3k1a n SER 212 Cb 0.99 -0.12 0.08 0.00 -1.01 0.00 0.00 64.21 64.15 3k1a n SER 212 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3k1a h MET 213 N 0.00 0.00 -0.02 1.43 2.86 -1.74 -3.16 114.93 114.30 3k1a h MET 213 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3k1a h MET 213 Cb 1.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 3k1a h MET 213 CO 0.00 0.70 0.03 0.38 1.06 0.00 0.00 176.91 179.08 3k1a h ASP 214 N 0.00 0.00 1.56 1.22 3.04 -1.94 -0.30 116.42 120.01 3k1a h ASP 214 Ca -0.01 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 3k1a h ASP 214 Cb 1.34 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.62 3k1a h ASP 214 CO 0.09 0.00 -0.17 -0.78 -2.04 0.00 0.00 179.24 176.34 3k1a h ASP 215 N 0.00 0.00 -3.50 4.15 3.58 -1.98 -3.47 116.42 115.20 3k1a h ASP 215 Ca 0.01 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.93 3k1a h ASP 215 Cb 0.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 3k1a h ASP 215 CO -0.00 0.17 -0.02 -0.54 -2.88 0.00 0.00 179.24 175.97 3k1a s LYS 216 N -3.28 3.98 -0.08 0.28 -0.14 -0.12 -5.08 119.74 115.29 3k1a s LYS 216 Ca 0.04 0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 55.18 3k1a s LYS 216 Cb 0.07 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.54 3k1a s LYS 216 CO 0.67 0.34 -0.02 0.08 -0.76 0.00 0.00 175.35 175.65 3k1a s VAL 217 N -1.71 0.56 0.14 3.17 1.01 -1.26 -5.05 120.40 117.27 3k1a s VAL 217 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 3k1a s VAL 217 Cb -0.13 -0.67 -0.11 0.00 0.00 0.00 0.00 36.38 35.47 3k1a s VAL 217 CO 0.20 0.29 1.82 -0.69 0.00 0.00 0.00 175.10 176.71 3k1a s VAL 218 N 1.85 2.39 0.00 2.92 1.01 -1.26 -2.36 120.40 124.96 3k1a s VAL 218 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3k1a s VAL 218 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3k1a s VAL 218 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3k1a n GLY 219 N 4.20 0.76 0.17 4.51 0.00 -0.16 -4.88 105.19 109.79 3k1a n GLY 219 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3k1a n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k1a h SER 220 N 0.00 0.00 0.04 1.61 4.64 -0.65 -2.63 113.55 116.56 3k1a h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1a h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k1a h SER 220 CO 0.00 0.46 -0.16 -0.46 -0.87 0.00 0.00 176.83 175.80 3k1a n ASN 221 N -3.66 1.87 -1.63 4.97 0.23 -0.71 -4.97 115.26 111.37 3k1a n ASN 221 Ca -0.01 -1.48 -0.19 0.00 -0.53 0.00 0.00 54.58 52.37 3k1a n ASN 221 Cb 0.54 0.13 -0.07 0.00 -2.08 0.00 0.00 39.78 38.30 3k1a n ASN 221 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3k1a n LYS 222 N 0.24 -1.37 -3.97 -3.83 5.02 -0.99 -4.98 118.16 108.27 3k1a n LYS 222 Ca 0.14 1.12 -0.22 0.00 -2.02 0.00 0.00 58.31 57.34 3k1a n LYS 222 Cb 0.44 -5.49 -0.04 0.00 -0.02 0.00 0.00 35.03 29.92 3k1a n LYS 222 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k1a s LYS 223 N -3.91 2.74 -0.21 1.97 1.02 -1.26 -4.46 119.74 115.63 3k1a s LYS 223 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 3k1a s LYS 223 Cb 0.00 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.84 3k1a s LYS 223 CO 0.00 0.22 -0.09 0.42 -0.92 0.00 0.00 175.35 174.98 3k1a s ILE 224 N -2.26 2.98 0.27 2.17 1.01 -0.11 -0.51 121.20 124.76 3k1a s ILE 224 Ca 0.37 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 3k1a s ILE 224 Cb -0.06 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 3k1a s ILE 224 CO 0.25 0.46 1.22 0.20 0.00 0.00 0.00 174.94 177.07 3k1a s ASN 225 N 1.39 7.02 -0.17 3.58 0.01 -0.55 -1.65 114.94 124.57 3k1a s ASN 225 Ca 0.05 2.42 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 3k1a s ASN 225 Cb -0.14 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 38.93 3k1a s ASN 225 CO -0.06 -0.37 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.43 3k1a s ILE 226 N -0.75 1.45 -0.33 0.60 -1.09 0.84 -0.08 121.20 121.84 3k1a s ILE 226 Ca 0.49 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 3k1a s ILE 226 Cb -0.35 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 3k1a s ILE 226 CO 0.44 0.27 0.16 -0.69 -1.23 0.00 0.00 174.94 173.89 3k1a s VAL 227 N 1.50 4.54 0.17 2.92 1.01 -0.48 -0.30 120.40 129.77 3k1a s VAL 227 Ca 0.02 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3k1a s VAL 227 Cb -0.15 -3.38 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 3k1a s VAL 227 CO -0.09 -0.02 1.38 1.55 0.00 0.00 0.00 175.10 177.93 3k1a h PRO 228 N 8.36 0.18 0.00 2.72 0.13 -1.85 -0.23 132.00 141.31 3k1a h PRO 228 Ca -0.30 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3k1a h PRO 228 Cb 1.13 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k1a h PRO 228 CO 0.63 0.94 0.00 0.41 -0.23 0.00 0.00 178.00 179.75 3k1a n GLY 229 N 0.87 -2.18 3.61 1.56 0.00 -1.26 -4.06 105.19 103.72 3k1a n GLY 229 Ca -0.03 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3k1a n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1a s PHE 230 N -0.37 1.25 -0.07 1.61 2.19 -1.26 -4.94 117.98 116.39 3k1a s PHE 230 Ca 0.00 0.46 -0.03 0.00 0.33 0.00 0.00 56.93 57.69 3k1a s PHE 230 Cb 0.00 -3.97 0.04 0.00 -1.31 0.00 0.00 43.02 37.77 3k1a s PHE 230 CO 0.00 -4.10 0.08 -2.00 1.83 0.00 0.00 175.22 171.04 3k1a s GLU 231 N 6.09 -0.03 0.00 10.12 2.56 -1.26 -5.03 118.70 131.15 3k1a s GLU 231 Ca 0.97 0.32 0.09 0.00 0.00 0.00 0.00 54.97 56.35 3k1a s GLU 231 Cb -0.33 -0.72 0.22 0.00 2.00 0.00 0.00 34.13 35.31 3k1a s GLU 231 CO 0.35 -0.39 1.15 0.25 -0.56 0.00 0.00 175.26 176.06 3k1a n THR 232 N 5.30 0.88 -3.83 -1.70 -2.24 -1.26 -4.89 114.28 106.53 3k1a n THR 232 Ca -0.04 -0.94 -0.36 0.00 -2.27 0.00 0.00 64.05 60.44 3k1a n THR 232 Cb 0.50 0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 69.18 3k1a n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3k1a s TYR 233 N -0.97 3.05 0.30 4.78 2.02 -1.26 -4.75 117.35 120.52 3k1a s TYR 233 Ca 0.18 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 3k1a s TYR 233 Cb 0.09 -2.18 0.47 0.00 -0.40 0.00 0.00 41.96 39.95 3k1a s TYR 233 CO 0.12 -0.53 1.95 -0.07 -1.57 0.00 0.00 175.55 175.46 3k1a h LEU 234 N 8.17 0.93 -2.20 -1.29 3.38 -0.94 -2.28 115.31 121.08 3k1a h LEU 234 Ca -0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3k1a h LEU 234 Cb 1.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3k1a h LEU 234 CO 0.59 0.65 -0.03 1.23 0.09 0.00 0.00 178.44 180.98 3k1a h GLY 235 N 1.09 0.00 0.96 0.83 0.00 -1.56 -2.36 103.07 102.02 3k1a h GLY 235 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 3k1a h GLY 235 CO -0.09 0.00 -0.50 3.43 0.00 0.00 0.00 176.54 179.38 3k1a h ASN 236 N 0.00 0.72 -0.16 0.19 2.35 -1.55 0.23 115.58 117.35 3k1a h ASN 236 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 3k1a h ASN 236 Cb 0.26 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3k1a h ASN 236 CO 0.00 1.19 0.11 -0.26 -1.65 0.00 0.00 177.43 176.82 3k1a h PHE 237 N 0.29 0.21 -0.25 1.19 0.04 -1.56 -3.01 116.94 113.84 3k1a h PHE 237 Ca -0.02 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 3k1a h PHE 237 Cb 1.12 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 3k1a h PHE 237 CO 0.10 0.13 -0.35 0.00 -0.60 0.00 0.00 178.31 177.59 3k1a h ARG 238 N 0.22 0.56 -0.48 1.51 3.08 -1.37 -2.89 114.38 115.01 3k1a h ARG 238 Ca 0.06 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3k1a h ARG 238 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k1a h ARG 238 CO -0.01 0.83 -0.15 -0.24 -1.07 0.00 0.00 179.97 179.33 3k1a h VAL 239 N 0.47 1.27 -0.41 2.04 3.04 -0.56 -1.78 116.25 120.32 3k1a h VAL 239 Ca 0.05 -1.28 -0.08 0.00 -1.01 0.00 0.00 66.70 64.38 3k1a h VAL 239 Cb 0.83 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 3k1a h VAL 239 CO 0.07 0.44 -0.06 0.40 -1.01 0.00 0.00 177.57 177.42 3k1a h ILE 240 N 0.82 1.27 -0.51 3.17 1.08 -1.43 -0.99 117.51 120.91 3k1a h ILE 240 Ca 0.12 -1.12 -0.06 0.00 -0.39 0.00 0.00 64.86 63.41 3k1a h ILE 240 Cb 0.69 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 3k1a h ILE 240 CO 0.05 0.38 0.07 0.11 -0.69 0.00 0.00 178.15 178.07 3k1a h LYS 241 N 0.59 0.86 -0.20 2.37 1.57 -1.51 -2.06 116.57 118.19 3k1a h LYS 241 Ca 0.11 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3k1a h LYS 241 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3k1a h LYS 241 CO 0.03 0.85 0.11 -0.09 -0.57 0.00 0.00 179.45 179.78 3k1a h ARG 242 N 0.74 0.28 -0.35 3.15 1.12 -1.17 0.41 114.38 118.56 3k1a h ARG 242 Ca 0.15 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 3k1a h ARG 242 Cb 0.42 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 3k1a h ARG 242 CO 0.01 0.26 0.19 0.52 -3.11 0.00 0.00 179.97 177.85 3k1a h MET 243 N 0.22 0.49 -0.38 0.20 2.86 -1.18 -0.70 114.93 116.44 3k1a h MET 243 Ca 0.07 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3k1a h MET 243 Cb 0.07 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3k1a h MET 243 CO -0.01 0.41 -0.12 -0.07 1.06 0.00 0.00 176.91 178.18 3k1a h LEU 244 N 0.44 0.65 -0.48 1.22 3.38 -1.25 -1.93 115.31 117.33 3k1a h LEU 244 Ca 0.12 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3k1a h LEU 244 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3k1a h LEU 244 CO -0.02 0.80 0.06 0.28 0.09 0.00 0.00 178.44 179.65 3k1a h SER 245 N 0.61 0.79 -0.84 -0.43 0.02 -0.74 -1.28 113.55 111.68 3k1a h SER 245 Ca 0.11 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3k1a h SER 245 Cb 0.55 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 3k1a h SER 245 CO 0.03 0.87 0.55 -0.33 -1.14 0.00 0.00 176.83 176.81 3k1a h GLU 246 N 0.69 0.93 0.00 3.45 5.08 -0.84 -1.53 114.58 122.37 3k1a h GLU 246 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3k1a h GLU 246 Cb 0.43 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3k1a h GLU 246 CO 0.01 0.62 0.00 0.52 -1.00 0.00 0.00 179.01 179.16 3k1a h MET 247 N 0.96 0.00 -0.80 2.33 2.86 -1.19 -3.45 114.93 115.65 3k1a h MET 247 Ca 0.36 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.87 3k1a h MET 247 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3k1a h MET 247 CO -0.12 0.00 -0.16 0.41 1.06 0.00 0.00 176.91 178.10 3k1a n GLY 248 N 0.61 0.25 3.74 8.32 0.00 -0.57 -4.75 105.19 112.78 3k1a n GLY 248 Ca 0.03 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 3k1a n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1a s VAL 249 N -2.30 5.07 0.13 1.61 1.01 -0.52 -5.01 120.40 120.39 3k1a s VAL 249 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 3k1a s VAL 249 Cb 0.00 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3k1a s VAL 249 CO 0.00 0.34 1.03 -0.83 0.00 0.00 0.00 175.10 175.64 3k1a s GLY 250 N 0.37 2.92 0.13 4.51 0.00 -1.26 -4.50 107.32 109.49 3k1a s GLY 250 Ca 0.30 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.60 3k1a s GLY 250 CO 0.14 1.56 0.27 -2.52 0.00 0.00 0.00 173.10 172.56 3k1a s TYR 251 N -0.05 0.21 -0.21 1.90 1.13 -1.26 -0.93 117.35 118.14 3k1a s TYR 251 Ca 0.48 -0.59 -0.02 0.00 -1.41 0.00 0.00 57.07 55.53 3k1a s TYR 251 Cb -0.26 0.00 0.06 0.00 -1.10 0.00 0.00 41.96 40.67 3k1a s TYR 251 CO 0.32 -0.66 0.02 -1.12 -2.51 0.00 0.00 175.55 171.60 3k1a s SER 252 N -2.90 3.14 -0.52 -0.18 0.01 -0.66 -4.84 113.70 107.76 3k1a s SER 252 Ca 0.10 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.16 3k1a s SER 252 Cb 0.03 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.57 3k1a s SER 252 CO -0.06 -0.30 1.19 -0.22 0.41 0.00 0.00 173.24 174.27 3k1a s LEU 253 N 1.76 3.55 -0.42 2.44 2.96 -1.26 -0.11 118.68 127.58 3k1a s LEU 253 Ca -0.02 0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 3k1a s LEU 253 Cb -0.17 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3k1a s LEU 253 CO -0.08 -1.38 0.51 -0.76 -1.32 0.00 0.00 176.35 173.32 3k1a s LEU 254 N 4.81 4.72 0.00 -0.68 1.43 0.59 -4.27 118.68 125.27 3k1a s LEU 254 Ca 0.47 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3k1a s LEU 254 Cb -0.08 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3k1a s LEU 254 CO 0.29 -0.65 0.00 -0.24 0.23 0.00 0.00 176.35 175.99 3k1a n SER 255 N 5.84 -1.61 -3.86 2.29 2.88 -1.26 -4.24 113.62 113.67 3k1a n SER 255 Ca -0.05 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 3k1a n SER 255 Cb 0.48 -0.80 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 3k1a n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k1a s ASP 256 N -0.08 4.09 0.00 -3.46 2.15 0.03 -4.72 116.67 114.68 3k1a s ASP 256 Ca 0.00 -2.73 0.17 0.00 0.43 0.00 0.00 52.55 50.43 3k1a s ASP 256 Cb 0.00 -1.37 0.75 0.00 -0.30 0.00 0.00 42.92 42.00 3k1a s ASP 256 CO 0.00 -0.27 1.52 -0.81 -0.17 0.00 0.00 175.17 175.45 3k1a n PRO 257 N 3.46 1.45 0.26 4.34 -0.04 -1.26 -3.46 135.00 139.74 3k1a n PRO 257 Ca 0.06 -0.69 0.11 0.00 -0.04 0.00 0.00 63.50 62.94 3k1a n PRO 257 Cb 0.34 -1.32 0.69 0.00 -0.04 0.00 0.00 33.50 33.18 3k1a n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3k1a h GLU 258 N 1.33 0.00 0.03 0.54 -0.00 -1.92 -1.40 114.58 113.15 3k1a h GLU 258 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 3k1a h GLU 258 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.05 3k1a h GLU 258 CO 0.00 0.11 -0.20 0.93 -0.00 0.00 0.00 179.01 179.84 3k1a h GLU 259 N 0.00 0.08 -0.17 1.06 4.39 -1.79 -3.31 114.58 114.84 3k1a h GLU 259 Ca -0.00 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3k1a h GLU 259 Cb 0.24 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3k1a h GLU 259 CO 0.01 1.04 -0.09 -0.39 -1.16 0.00 0.00 179.01 178.43 3k1a h VAL 260 N -0.81 1.16 -0.25 3.13 -1.51 -1.36 -2.45 116.25 114.17 3k1a h VAL 260 Ca -0.03 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3k1a h VAL 260 Cb 1.14 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3k1a h VAL 260 CO 0.04 0.22 0.00 0.18 -1.23 0.00 0.00 177.57 176.78 3k1a n LEU 261 N -4.30 2.31 -2.62 4.19 4.77 -0.55 -4.21 117.00 116.57 3k1a n LEU 261 Ca -0.00 -1.16 -0.04 0.00 -0.03 0.00 0.00 56.01 54.77 3k1a n LEU 261 Cb 0.24 -0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3k1a n LEU 261 CO 0.38 0.39 0.56 -0.67 -1.33 0.00 0.00 177.39 176.72 3k1a n ASP 262 N 0.28 -1.58 -4.78 -1.43 2.03 -0.93 -4.90 116.55 105.24 3k1a n ASP 262 Ca 0.10 -2.23 -0.36 0.00 0.52 0.00 0.00 54.79 52.82 3k1a n ASP 262 Cb 0.46 0.83 -0.04 0.00 -0.72 0.00 0.00 41.12 41.65 3k1a n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3k1a s THR 263 N 0.15 3.72 0.44 5.18 -4.23 -1.15 -4.91 115.64 114.83 3k1a s THR 263 Ca 0.14 1.30 -0.24 0.00 -1.18 0.00 0.00 61.69 61.71 3k1a s THR 263 Cb 0.38 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 3k1a s THR 263 CO -0.10 -0.01 1.19 -2.16 -0.54 0.00 0.00 174.62 173.00 3k1a s PRO 264 N -2.55 3.85 -0.75 3.99 0.04 -1.26 -4.98 135.00 133.35 3k1a s PRO 264 Ca 0.58 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 3k1a s PRO 264 Cb -0.22 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.86 3k1a s PRO 264 CO 0.27 -0.49 1.13 0.00 0.04 0.00 0.00 177.00 177.94 3k1a s ALA 265 N -1.47 2.99 -0.03 8.56 0.00 -1.26 -4.82 121.76 125.74 3k1a s ALA 265 Ca 0.61 -1.84 0.04 0.00 0.00 0.00 0.00 51.96 50.77 3k1a s ALA 265 Cb -0.31 -4.07 0.06 0.00 0.00 0.00 0.00 23.12 18.81 3k1a s ALA 265 CO 0.38 -3.04 0.97 -0.40 0.00 0.00 0.00 175.76 173.67 3k1a n ASP 266 N 8.20 0.59 0.00 0.00 5.75 -1.26 -5.00 116.55 124.83 3k1a n ASP 266 Ca 0.05 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3k1a n ASP 266 Cb 0.47 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3k1a n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1a n GLY 267 N -0.33 2.66 3.18 6.12 0.00 -1.26 -5.08 105.19 110.49 3k1a n GLY 267 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3k1a n GLY 267 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k1a s GLN 268 N -0.61 1.32 0.02 1.61 -2.07 -1.26 -5.13 119.66 113.55 3k1a s GLN 268 Ca 0.00 -0.73 -0.25 0.00 -1.82 0.00 0.00 55.36 52.56 3k1a s GLN 268 Cb 0.00 -1.33 -0.05 0.00 -1.09 0.00 0.00 33.01 30.54 3k1a s GLN 268 CO 0.00 0.35 0.78 0.12 -1.32 0.00 0.00 175.29 175.22 3k1a s PHE 269 N -0.59 3.70 -0.26 9.60 5.36 -1.26 -4.92 117.98 129.62 3k1a s PHE 269 Ca 0.06 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 3k1a s PHE 269 Cb -0.07 -2.85 0.03 0.00 -0.34 0.00 0.00 43.02 39.79 3k1a s PHE 269 CO 0.00 0.21 -0.05 1.03 -1.46 0.00 0.00 175.22 174.95 3k1a s ARG 270 N 0.20 2.68 0.13 10.12 0.52 -1.26 -4.99 118.95 126.35 3k1a s ARG 270 Ca 0.40 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 3k1a s ARG 270 Cb -0.20 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 3k1a s ARG 270 CO 0.23 -0.47 1.55 1.98 0.02 0.00 0.00 175.30 178.61 3k1a h MET 271 N 7.99 0.79 -6.55 3.54 1.85 -1.98 -3.44 114.93 117.12 3k1a h MET 271 Ca -0.29 -0.28 -0.68 0.00 -0.61 0.00 0.00 59.70 57.84 3k1a h MET 271 Cb 1.09 -0.05 -0.21 0.00 0.43 0.00 0.00 31.60 32.86 3k1a h MET 271 CO 0.56 0.89 -0.79 0.71 -0.40 0.00 0.00 176.91 177.88 3k1a s TYR 272 N -4.87 2.60 -0.27 1.39 2.02 -1.26 -4.88 117.35 112.08 3k1a s TYR 272 Ca -0.12 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.20 3k1a s TYR 272 Cb 0.10 -1.47 0.08 0.00 -0.40 0.00 0.00 41.96 40.27 3k1a s TYR 272 CO 0.82 0.28 0.66 0.00 -1.57 0.00 0.00 175.55 175.73 3k1a s ALA 273 N -0.95 -1.81 0.00 3.71 0.00 -1.26 -4.98 121.76 116.46 3k1a s ALA 273 Ca 0.15 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.45 3k1a s ALA 273 Cb -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.61 3k1a s ALA 273 CO 0.06 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3k1a n GLY 274 N 4.39 3.01 0.00 0.00 0.00 -1.26 -2.89 105.19 108.44 3k1a n GLY 274 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3k1a n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 275 N 0.00 0.38 3.71 -0.02 0.00 -1.23 -4.07 105.19 103.96 3k1a n GLY 275 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3k1a n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1a s THR 276 N -2.70 3.49 0.63 2.61 2.01 0.35 -4.33 115.64 117.70 3k1a s THR 276 Ca 0.00 1.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 3k1a s THR 276 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3k1a s THR 276 CO 0.00 0.08 1.04 0.42 -0.69 0.00 0.00 174.62 175.47 3k1a s THR 277 N 1.09 4.51 0.27 -0.82 -4.23 -1.26 0.30 115.64 115.51 3k1a s THR 277 Ca 0.63 0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 61.95 3k1a s THR 277 Cb -0.35 -3.73 0.23 0.00 1.34 0.00 0.00 72.50 69.99 3k1a s THR 277 CO 0.30 -1.03 1.91 1.56 -0.54 0.00 0.00 174.62 176.82 3k1a h GLN 278 N -0.32 1.12 -0.01 3.99 4.20 -1.95 -2.93 115.11 119.21 3k1a h GLN 278 Ca -0.44 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 57.99 3k1a h GLN 278 Cb 1.20 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3k1a h GLN 278 CO 0.61 0.80 -0.76 1.49 -0.67 0.00 0.00 178.83 180.29 3k1a h GLU 279 N 1.14 0.07 -0.88 1.46 4.57 -1.98 -0.54 114.58 118.42 3k1a h GLU 279 Ca 0.29 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.48 3k1a h GLU 279 Cb -0.02 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3k1a h GLU 279 CO -0.05 0.80 0.57 0.93 -1.18 0.00 0.00 179.01 180.08 3k1a h GLU 280 N 0.05 0.93 -0.07 1.92 5.08 -1.91 -1.02 114.58 119.56 3k1a h GLU 280 Ca -0.02 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 3k1a h GLU 280 Cb 1.34 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.39 3k1a h GLU 280 CO 0.11 0.62 -0.92 1.98 -1.00 0.00 0.00 179.01 179.80 3k1a h MET 281 N 0.96 0.72 -0.54 2.33 4.05 -1.19 -2.31 114.93 118.96 3k1a h MET 281 Ca 0.39 -0.68 -0.05 0.00 -0.28 0.00 0.00 59.70 59.07 3k1a h MET 281 Cb 0.25 0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 3k1a h MET 281 CO -0.15 1.28 0.15 0.87 0.23 0.00 0.00 176.91 179.29 3k1a h LYS 282 N 0.45 0.81 -0.01 0.39 1.57 -0.95 -3.06 116.57 115.77 3k1a h LYS 282 Ca -0.09 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3k1a h LYS 282 Cb 1.56 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3k1a h LYS 282 CO 0.18 0.72 -0.21 -3.47 -0.57 0.00 0.00 179.45 176.10 3k1a n ASP 283 N -4.29 1.07 -0.30 0.86 2.03 -0.40 -4.43 116.55 111.08 3k1a n ASP 283 Ca 0.04 -0.97 0.06 0.00 0.52 0.00 0.00 54.79 54.43 3k1a n ASP 283 Cb 0.21 0.10 0.21 0.00 -0.72 0.00 0.00 41.12 40.92 3k1a n ASP 283 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1a h ALA 284 N 3.79 1.28 -0.15 -1.67 0.00 -1.31 -1.58 119.26 119.63 3k1a h ALA 284 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3k1a h ALA 284 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3k1a h ALA 284 CO 0.00 0.03 0.19 -1.35 0.00 0.00 0.00 179.25 178.12 3k1a h PRO 285 N 0.75 0.00 0.00 0.00 0.11 -1.82 -1.47 132.00 129.57 3k1a h PRO 285 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3k1a h PRO 285 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3k1a h PRO 285 CO -0.30 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.58 3k1a n ASN 286 N -3.68 0.00 -4.74 -2.05 5.03 -0.59 -4.21 115.26 105.02 3k1a n ASN 286 Ca 0.01 -0.55 -0.33 0.00 0.87 0.00 0.00 54.58 54.58 3k1a n ASN 286 Cb 0.30 -0.11 0.08 0.00 -1.02 0.00 0.00 39.78 39.03 3k1a n ASN 286 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1a s ALA 287 N -2.21 2.23 0.16 5.41 0.00 -0.56 -0.95 121.76 125.84 3k1a s ALA 287 Ca 0.34 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 3k1a s ALA 287 Cb 0.18 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3k1a s ALA 287 CO 0.34 -1.68 1.79 -0.07 0.00 0.00 0.00 175.76 176.14 3k1a h LEU 288 N -0.35 0.56 -7.93 0.00 3.38 -1.07 -0.41 115.31 109.50 3k1a h LEU 288 Ca -0.47 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.52 3k1a h LEU 288 Cb 1.27 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3k1a h LEU 288 CO 0.51 0.45 0.37 0.21 0.09 0.00 0.00 178.44 180.07 3k1a s ASN 289 N -5.70 -0.09 -0.08 -0.43 3.84 -1.26 -4.58 114.94 106.65 3k1a s ASN 289 Ca -0.13 -0.80 0.01 0.00 0.21 0.00 0.00 52.86 52.15 3k1a s ASN 289 Cb 0.11 0.69 0.02 0.00 -0.55 0.00 0.00 41.25 41.52 3k1a s ASN 289 CO 0.74 -1.33 -0.10 -0.89 -2.79 0.00 0.00 177.10 172.73 3k1a s THR 290 N -2.81 1.06 -0.25 -5.21 2.01 -1.26 -1.49 115.64 107.69 3k1a s THR 290 Ca 0.15 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 3k1a s THR 290 Cb -0.04 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3k1a s THR 290 CO 0.08 0.35 0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 3k1a s VAL 291 N 0.99 4.12 -0.34 3.82 1.01 0.89 -4.30 120.40 126.59 3k1a s VAL 291 Ca -0.09 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3k1a s VAL 291 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3k1a s VAL 291 CO -0.00 0.34 0.68 -0.76 0.00 0.00 0.00 175.10 175.35 3k1a s LEU 292 N 1.58 4.19 0.24 3.92 1.43 -1.26 -1.38 118.68 127.41 3k1a s LEU 292 Ca 0.06 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3k1a s LEU 292 Cb -0.15 -2.86 0.27 0.00 0.03 0.00 0.00 46.19 43.47 3k1a s LEU 292 CO 0.02 -0.60 1.58 -0.07 0.23 0.00 0.00 176.35 177.51 3k1a h LEU 293 N 9.41 0.33 -6.60 1.79 3.38 -1.28 -3.36 115.31 118.99 3k1a h LEU 293 Ca -0.26 -0.18 -0.60 0.00 0.09 0.00 0.00 57.88 56.93 3k1a h LEU 293 Cb 1.11 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 41.35 3k1a h LEU 293 CO 0.85 0.82 -0.73 0.00 0.09 0.00 0.00 178.44 179.46 3k1a n GLN 294 N -3.92 1.49 0.23 1.13 6.02 -1.26 -3.77 117.38 117.30 3k1a n GLN 294 Ca -0.02 -4.09 0.08 0.00 -0.01 0.00 0.00 57.00 52.96 3k1a n GLN 294 Cb 0.58 -2.02 0.55 0.00 1.02 0.00 0.00 30.24 30.38 3k1a n GLN 294 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3k1a h PRO 295 N 5.01 0.00 0.00 -1.09 0.13 -1.87 -3.07 132.00 131.12 3k1a h PRO 295 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3k1a h PRO 295 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3k1a h PRO 295 CO 0.64 0.22 0.00 0.91 -0.23 0.00 0.00 178.00 179.53 3k1a n TRP 296 N -3.84 0.11 -1.43 1.56 7.02 -1.26 -2.41 117.44 117.19 3k1a n TRP 296 Ca -0.02 0.04 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 3k1a n TRP 296 Cb 0.31 -0.56 0.12 0.00 -2.42 0.00 0.00 31.31 28.76 3k1a n TRP 296 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 3k1a n HIS 297 N -1.60 0.00 -2.24 -5.99 1.44 -1.17 -4.80 115.22 100.87 3k1a n HIS 297 Ca 0.05 -0.86 -0.20 0.00 -2.01 0.00 0.00 57.72 54.70 3k1a n HIS 297 Cb 0.25 -0.15 0.02 0.00 0.12 0.00 0.00 29.99 30.23 3k1a n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3k1a n LEU 298 N -0.99 4.20 0.09 2.39 4.77 -1.01 -4.36 117.00 122.09 3k1a n LEU 298 Ca 0.13 -4.47 -0.13 0.00 -0.03 0.00 0.00 56.01 51.51 3k1a n LEU 298 Cb 0.69 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3k1a n LEU 298 CO -0.00 1.92 0.54 -0.33 -1.33 0.00 0.00 177.39 178.19 3k1a h GLU 299 N 2.33 -0.24 -0.58 3.23 4.39 -1.87 -1.98 114.58 119.85 3k1a h GLU 299 Ca 0.26 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.04 3k1a h GLU 299 Cb 1.40 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 30.05 3k1a h GLU 299 CO 0.66 0.13 0.28 -0.22 -1.16 0.00 0.00 179.01 178.70 3k1a h LYS 300 N -0.69 0.51 -0.67 2.33 3.64 -1.92 -1.61 116.57 118.15 3k1a h LYS 300 Ca -0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3k1a h LYS 300 Cb 0.49 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3k1a h LYS 300 CO 0.04 0.34 0.44 1.15 -2.27 0.00 0.00 179.45 179.15 3k1a h THR 301 N 0.52 1.17 -0.27 1.00 2.02 -1.81 -2.30 112.91 113.25 3k1a h THR 301 Ca 0.27 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3k1a h THR 301 Cb 0.23 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3k1a h THR 301 CO -0.21 0.17 0.10 0.50 0.37 0.00 0.00 175.52 176.44 3k1a h LYS 302 N 0.90 0.21 -0.85 6.66 3.64 -0.63 0.23 116.57 126.73 3k1a h LYS 302 Ca 0.24 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3k1a h LYS 302 Cb -0.10 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 3k1a h LYS 302 CO -0.05 0.14 0.56 0.87 -2.27 0.00 0.00 179.45 178.70 3k1a h LYS 303 N 0.22 0.97 -0.06 1.90 1.57 -1.11 0.26 116.57 120.33 3k1a h LYS 303 Ca 0.12 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 3k1a h LYS 303 Cb 0.08 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.18 3k1a h LYS 303 CO -0.12 0.64 -0.50 0.35 -0.57 0.00 0.00 179.45 179.25 3k1a h PHE 304 N 1.00 0.61 -0.38 -1.35 3.57 -0.83 0.18 116.94 119.74 3k1a h PHE 304 Ca 0.36 -0.29 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3k1a h PHE 304 Cb 0.13 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3k1a h PHE 304 CO -0.00 1.08 -0.16 -0.39 -2.23 0.00 0.00 178.31 176.61 3k1a h VAL 305 N -0.03 1.26 -0.05 1.41 -1.51 -0.75 0.17 116.25 116.75 3k1a h VAL 305 Ca -0.05 -1.21 -0.13 0.00 -1.23 0.00 0.00 66.70 64.08 3k1a h VAL 305 Cb 1.18 1.14 0.01 0.00 -2.13 0.00 0.00 31.29 31.49 3k1a h VAL 305 CO 0.10 0.40 -0.49 -0.33 -1.23 0.00 0.00 177.57 176.03 3k1a h GLU 306 N 0.63 0.43 -0.18 5.19 5.08 -1.02 -1.80 114.58 122.90 3k1a h GLU 306 Ca 0.10 -0.38 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 3k1a h GLU 306 Cb 0.63 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3k1a h GLU 306 CO 0.04 1.03 -0.55 0.78 -1.00 0.00 0.00 179.01 179.32 3k1a h GLY 307 N -0.05 0.76 0.00 -3.84 0.00 -0.53 -2.96 103.07 96.45 3k1a h GLY 307 Ca -0.05 -0.98 -0.40 0.00 0.00 0.00 0.00 47.33 45.91 3k1a h GLY 307 CO 0.10 0.87 -2.32 2.41 0.00 0.00 0.00 176.54 177.60 3k1a n THR 308 N -4.12 1.42 0.52 4.70 -1.04 0.58 -4.53 114.28 111.80 3k1a n THR 308 Ca -0.07 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.75 3k1a n THR 308 Cb 0.62 -1.89 0.45 0.00 -1.82 0.00 0.00 70.33 67.70 3k1a n THR 308 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3k1a n TRP 309 N -4.18 0.85 -2.47 -1.42 7.02 -1.02 -4.92 117.44 111.30 3k1a n TRP 309 Ca -0.48 0.29 -0.21 0.00 -1.02 0.00 0.00 57.50 56.09 3k1a n TRP 309 Cb 0.83 -0.97 -0.00 0.00 -2.42 0.00 0.00 31.31 28.75 3k1a n TRP 309 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3k1a n LYS 310 N -2.23 -2.03 -3.11 -0.99 4.76 -0.72 -4.89 118.16 108.95 3k1a n LYS 310 Ca 0.04 0.97 -0.36 0.00 -2.87 0.00 0.00 58.31 56.09 3k1a n LYS 310 Cb 0.32 -5.63 -0.06 0.00 -1.84 0.00 0.00 35.03 27.82 3k1a n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k1a s HIS 311 N -3.04 3.66 -1.17 2.13 3.76 -0.98 -4.99 115.29 114.67 3k1a s HIS 311 Ca 0.04 1.38 -0.08 0.00 -0.15 0.00 0.00 55.06 56.25 3k1a s HIS 311 Cb -0.02 -2.61 0.24 0.00 1.11 0.00 0.00 32.58 31.30 3k1a s HIS 311 CO 0.05 0.35 1.53 0.39 -0.85 0.00 0.00 174.74 176.21 3k1a n GLU 312 N 0.78 3.90 -1.56 1.40 1.02 -1.26 -4.21 120.64 120.70 3k1a n GLU 312 Ca -0.03 -4.13 -0.53 0.00 -0.02 0.00 0.00 57.16 52.45 3k1a n GLU 312 Cb 0.51 -2.72 -0.07 0.00 -0.02 0.00 0.00 31.44 29.14 3k1a n GLU 312 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3k1a n VAL 313 N 2.63 0.29 -1.83 2.62 0.31 -1.26 -4.87 118.33 116.22 3k1a n VAL 313 Ca 0.31 -0.16 -0.39 0.00 -0.01 0.00 0.00 64.34 64.09 3k1a n VAL 313 Cb 0.36 -1.53 0.02 0.00 -0.91 0.00 0.00 33.84 31.78 3k1a n VAL 313 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3k1a s PRO 314 N 5.04 3.49 -0.88 5.55 0.02 -1.26 -4.91 135.00 142.05 3k1a s PRO 314 Ca 1.04 2.30 -0.25 0.00 0.02 0.00 0.00 61.00 64.10 3k1a s PRO 314 Cb -0.91 -2.49 0.03 0.00 0.02 0.00 0.00 34.50 31.15 3k1a s PRO 314 CO 0.55 -0.93 1.45 0.21 -0.33 0.00 0.00 177.00 177.94 3k1a s LYS 315 N -2.63 3.30 -0.02 5.54 2.47 -1.26 -4.85 119.74 122.29 3k1a s LYS 315 Ca 0.65 -0.61 0.04 0.00 -1.56 0.00 0.00 55.97 54.49 3k1a s LYS 315 Cb -0.41 -4.82 -0.01 0.00 -1.46 0.00 0.00 37.83 31.13 3k1a s LYS 315 CO 0.51 -2.31 -0.13 -0.51 0.16 0.00 0.00 175.35 173.08 3k1a s LEU 316 N 5.91 1.98 0.66 5.43 1.43 -1.26 -5.12 118.68 127.70 3k1a s LEU 316 Ca 0.45 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3k1a s LEU 316 Cb -0.04 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 3k1a s LEU 316 CO 0.02 0.14 1.05 0.20 0.23 0.00 0.00 176.35 177.99 3k1a s ASN 317 N -0.19 5.80 0.09 2.29 -0.87 -1.26 -4.78 114.94 116.02 3k1a s ASN 317 Ca 0.03 1.51 -0.36 0.00 -1.57 0.00 0.00 52.86 52.46 3k1a s ASN 317 Cb -0.06 -2.47 -0.16 0.00 -0.02 0.00 0.00 41.25 38.54 3k1a s ASN 317 CO -0.00 -1.16 1.41 0.00 -2.57 0.00 0.00 177.10 174.78 3k1a n ILE 318 N -2.94 0.01 -1.62 0.60 3.06 -1.25 -4.80 119.36 112.43 3k1a n ILE 318 Ca 0.07 -0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.93 3k1a n ILE 318 Cb 0.54 -0.99 -0.05 0.00 0.54 0.00 0.00 39.64 39.68 3k1a n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3k1a n PRO 319 N 2.81 1.86 -4.99 9.51 -0.04 -1.26 -4.76 135.00 138.14 3k1a n PRO 319 Ca 0.18 -2.25 -0.29 0.00 -0.04 0.00 0.00 63.50 61.10 3k1a n PRO 319 Cb 0.21 -3.25 -0.15 0.00 -0.04 0.00 0.00 33.50 30.27 3k1a n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3k1a s MET 320 N 5.11 1.80 1.28 0.54 -1.94 -1.26 -1.12 119.30 123.72 3k1a s MET 320 Ca 0.59 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3k1a s MET 320 Cb 0.09 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 35.05 3k1a s MET 320 CO 0.09 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 176.01 3k1a n GLY 321 N 2.05 -1.76 0.11 -0.03 0.00 -1.26 -4.13 105.19 100.17 3k1a n GLY 321 Ca -0.16 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 3k1a n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1a h LEU 322 N 0.00 -0.12 -0.54 0.99 5.85 -1.94 -3.16 115.31 116.39 3k1a h LEU 322 Ca 0.00 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3k1a h LEU 322 Cb 0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3k1a h LEU 322 CO 0.00 0.46 0.33 0.44 -0.34 0.00 0.00 178.44 179.33 3k1a h ASP 323 N -1.00 0.65 1.53 1.25 3.32 -1.98 -2.09 116.42 118.10 3k1a h ASP 323 Ca -0.01 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3k1a h ASP 323 Cb 0.35 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3k1a h ASP 323 CO 0.02 0.51 -0.32 -0.50 -1.72 0.00 0.00 179.24 177.24 3k1a h TRP 324 N 0.73 0.00 -0.25 4.55 6.55 -1.74 -0.87 115.95 124.92 3k1a h TRP 324 Ca 0.19 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.85 3k1a h TRP 324 Cb -0.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 3k1a h TRP 324 CO -0.03 0.32 -0.58 1.15 -1.05 0.00 0.00 178.44 178.26 3k1a h THR 325 N 0.00 1.28 0.27 1.49 2.02 -1.49 -1.53 112.91 114.96 3k1a h THR 325 Ca -0.00 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 3k1a h THR 325 Cb 1.17 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3k1a h THR 325 CO 0.04 0.57 -0.13 0.44 0.37 0.00 0.00 175.52 176.82 3k1a h ASP 326 N 0.61 -0.30 -0.89 4.18 5.19 -1.11 -1.48 116.42 122.62 3k1a h ASP 326 Ca 0.01 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3k1a h ASP 326 Cb 1.17 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 3k1a h ASP 326 CO 0.12 -0.20 0.59 -0.33 -3.12 0.00 0.00 179.24 176.30 3k1a h GLU 327 N -0.37 1.15 0.34 3.56 5.08 -1.22 0.05 114.58 123.16 3k1a h GLU 327 Ca -0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3k1a h GLU 327 Cb 0.29 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3k1a h GLU 327 CO 0.06 0.76 -0.16 0.35 -1.00 0.00 0.00 179.01 179.01 3k1a h PHE 328 N 1.18 -0.42 -0.81 4.33 3.57 -1.16 -1.07 116.94 122.56 3k1a h PHE 328 Ca 0.33 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3k1a h PHE 328 Cb -0.10 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3k1a h PHE 328 CO -0.00 -0.21 0.53 -0.07 -2.23 0.00 0.00 178.31 176.33 3k1a h LEU 329 N -0.54 0.89 -0.84 0.59 4.07 -0.95 -0.18 115.31 118.35 3k1a h LEU 329 Ca -0.05 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 3k1a h LEU 329 Cb 0.40 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3k1a h LEU 329 CO 0.08 0.63 -0.44 0.24 -1.08 0.00 0.00 178.44 177.87 3k1a h MET 330 N 1.05 0.30 -0.32 1.13 2.86 -0.97 -0.07 114.93 118.92 3k1a h MET 330 Ca 0.31 -0.15 -0.18 0.00 -2.06 0.00 0.00 59.70 57.62 3k1a h MET 330 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3k1a h MET 330 CO -0.09 0.69 -0.49 -0.22 1.06 0.00 0.00 176.91 177.87 3k1a h LYS 331 N 0.25 0.90 -0.44 1.72 1.63 -0.83 -1.74 116.57 118.07 3k1a h LYS 331 Ca 0.02 -0.54 -0.06 0.00 -0.85 0.00 0.00 60.65 59.22 3k1a h LYS 331 Cb 0.88 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 3k1a h LYS 331 CO 0.07 1.18 0.00 0.28 -3.45 0.00 0.00 179.45 177.54 3k1a h VAL 332 N 0.70 1.23 -0.50 2.00 2.07 -0.82 -1.47 116.25 119.46 3k1a h VAL 332 Ca 0.03 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3k1a h VAL 332 Cb 1.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3k1a h VAL 332 CO 0.11 0.33 -0.12 -1.28 0.02 0.00 0.00 177.57 176.63 3k1a h SER 333 N 0.67 0.98 -0.06 0.57 0.87 -0.97 -1.52 113.55 114.09 3k1a h SER 333 Ca 0.14 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3k1a h SER 333 Cb 0.41 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3k1a h SER 333 CO 0.02 1.12 0.04 -0.08 -0.53 0.00 0.00 176.83 177.39 3k1a h GLU 334 N 0.84 0.09 -0.25 2.24 4.81 -0.99 0.14 114.58 121.45 3k1a h GLU 334 Ca 0.13 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3k1a h GLU 334 Cb 0.69 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3k1a h GLU 334 CO 0.05 0.12 -0.14 0.82 -0.73 0.00 0.00 179.01 179.14 3k1a h ILE 335 N 0.03 1.30 0.00 2.32 1.08 -1.27 -3.30 117.51 117.67 3k1a h ILE 335 Ca 0.02 -1.23 -0.18 0.00 -0.39 0.00 0.00 64.86 63.08 3k1a h ILE 335 Cb 0.06 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 3k1a h ILE 335 CO -0.00 0.39 -1.04 0.77 -0.69 0.00 0.00 178.15 177.57 3k1a h SER 336 N 0.26 0.00 0.00 1.72 4.64 -1.31 -3.48 113.55 115.38 3k1a h SER 336 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k1a h SER 336 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3k1a h SER 336 CO 0.04 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 3k1a n GLY 337 N 1.35 0.66 3.81 -0.77 0.00 0.48 -5.05 105.19 105.68 3k1a n GLY 337 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3k1a n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1a s GLN 338 N -0.07 4.29 0.56 1.61 -1.52 -1.21 -5.03 119.66 118.30 3k1a s GLN 338 Ca 0.00 0.86 -0.15 0.00 -1.95 0.00 0.00 55.36 54.12 3k1a s GLN 338 Cb 0.00 -3.13 -0.06 0.00 -0.22 0.00 0.00 33.01 29.61 3k1a s GLN 338 CO 0.00 0.55 1.01 -1.25 -0.25 0.00 0.00 175.29 175.35 3k1a s PRO 339 N -1.41 3.70 -0.10 2.91 0.04 -1.26 -4.41 135.00 134.47 3k1a s PRO 339 Ca 0.35 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 3k1a s PRO 339 Cb -0.19 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3k1a s PRO 339 CO 0.21 -0.49 1.29 0.42 0.04 0.00 0.00 177.00 178.48 3k1a s ILE 340 N -2.73 4.14 0.94 0.56 1.01 -1.26 -4.88 121.20 118.99 3k1a s ILE 340 Ca 0.59 1.44 -0.12 0.00 0.00 0.00 0.00 60.65 62.56 3k1a s ILE 340 Cb -0.12 -3.93 0.15 0.00 0.01 0.00 0.00 42.46 38.58 3k1a s ILE 340 CO 0.38 -0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.21 3k1a s PRO 341 N 2.92 0.91 0.39 2.79 0.04 -1.26 -4.87 135.00 135.93 3k1a s PRO 341 Ca 0.58 0.43 0.09 0.00 0.04 0.00 0.00 61.00 62.13 3k1a s PRO 341 Cb -0.25 -1.80 0.80 0.00 0.04 0.00 0.00 34.50 33.29 3k1a s PRO 341 CO 0.20 -2.39 1.95 0.00 0.04 0.00 0.00 177.00 176.80 3k1a h ALA 342 N -1.64 1.55 -0.50 8.56 0.00 -1.95 -2.76 119.26 122.53 3k1a h ALA 342 Ca -0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3k1a h ALA 342 Cb 1.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3k1a h ALA 342 CO 0.60 0.33 0.18 0.66 0.00 0.00 0.00 179.25 181.01 3k1a h SER 343 N 0.31 0.70 -0.03 0.00 4.64 -1.96 -0.79 113.55 116.43 3k1a h SER 343 Ca 0.07 -0.19 -0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3k1a h SER 343 Cb 0.27 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3k1a h SER 343 CO 0.01 0.70 -0.59 -0.07 -0.87 0.00 0.00 176.83 176.01 3k1a h LEU 344 N 0.67 0.70 -0.46 5.97 3.38 -1.90 -1.45 115.31 122.22 3k1a h LEU 344 Ca 0.16 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3k1a h LEU 344 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3k1a h LEU 344 CO -0.01 1.13 0.29 0.74 0.09 0.00 0.00 178.44 180.68 3k1a h THR 345 N 0.47 1.14 0.04 0.22 2.02 -1.35 -0.13 112.91 115.31 3k1a h THR 345 Ca 0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3k1a h THR 345 Cb 1.15 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3k1a h THR 345 CO 0.11 0.14 -0.02 0.50 0.37 0.00 0.00 175.52 176.62 3k1a h LYS 346 N 0.62 -0.05 -0.68 6.66 1.63 -1.08 -2.54 116.57 121.12 3k1a h LYS 346 Ca 0.17 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3k1a h LYS 346 Cb -0.02 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 3k1a h LYS 346 CO -0.03 0.04 0.45 1.49 -3.45 0.00 0.00 179.45 177.95 3k1a h GLU 347 N -0.14 0.76 -0.25 1.90 4.81 -1.14 -1.36 114.58 119.15 3k1a h GLU 347 Ca -0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3k1a h GLU 347 Cb 0.12 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3k1a h GLU 347 CO 0.01 0.50 0.16 -0.09 -0.73 0.00 0.00 179.01 178.86 3k1a h ARG 348 N 0.78 0.34 0.00 1.92 2.43 -0.84 -2.30 114.38 116.71 3k1a h ARG 348 Ca 0.28 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3k1a h ARG 348 Cb 0.13 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3k1a h ARG 348 CO -0.08 0.26 -0.15 0.78 -1.51 0.00 0.00 179.97 179.27 3k1a h GLY 349 N 0.32 0.00 1.95 2.80 0.00 -0.91 -1.59 103.07 105.63 3k1a h GLY 349 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.23 3k1a h GLY 349 CO -0.02 0.00 -0.90 3.21 0.00 0.00 0.00 176.54 178.83 3k1a h ARG 350 N 0.00 0.04 -0.03 4.80 3.08 -1.07 0.14 114.38 121.34 3k1a h ARG 350 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k1a h ARG 350 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3k1a h ARG 350 CO 0.02 0.91 -0.00 1.25 -1.07 0.00 0.00 179.97 181.08 3k1a h LEU 351 N 0.02 0.05 -0.97 3.04 5.85 -0.91 -1.95 115.31 120.45 3k1a h LEU 351 Ca -0.02 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3k1a h LEU 351 Cb 1.57 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 3k1a h LEU 351 CO 0.12 0.35 0.64 0.58 -0.34 0.00 0.00 178.44 179.79 3k1a h VAL 352 N -0.25 1.22 -0.79 1.05 2.07 -1.29 -0.44 116.25 117.81 3k1a h VAL 352 Ca 0.01 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3k1a h VAL 352 Cb 0.32 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 3k1a h VAL 352 CO 0.00 0.23 0.52 -0.78 0.02 0.00 0.00 177.57 177.57 3k1a h ASP 353 N 1.28 0.91 -0.69 0.57 3.58 -0.93 -0.77 116.42 120.36 3k1a h ASP 353 Ca 0.36 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.75 3k1a h ASP 353 Cb -0.10 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.69 3k1a h ASP 353 CO -0.09 0.66 0.27 0.24 -2.88 0.00 0.00 179.24 177.44 3k1a h MET 354 N 1.07 1.04 -0.93 0.28 2.86 -0.71 -1.87 114.93 116.66 3k1a h MET 354 Ca 0.29 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3k1a h MET 354 Cb -0.12 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.32 3k1a h MET 354 CO -0.06 0.86 0.61 0.52 1.06 0.00 0.00 176.91 179.90 3k1a h MET 355 N 0.99 1.16 -0.06 1.72 2.86 -0.53 -1.90 114.93 119.17 3k1a h MET 355 Ca 0.23 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.65 3k1a h MET 355 Cb 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3k1a h MET 355 CO -0.02 0.77 -0.62 1.79 1.06 0.00 0.00 176.91 179.88 3k1a h THR 356 N 1.19 1.40 0.00 2.22 1.35 -0.93 -1.88 112.91 116.26 3k1a h THR 356 Ca 0.36 -2.04 -0.12 0.00 -0.55 0.00 0.00 66.41 64.06 3k1a h THR 356 Cb -0.03 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 3k1a h THR 356 CO -0.11 0.60 -0.59 0.44 -0.25 0.00 0.00 175.52 175.61 3k1a h ASP 357 N 0.15 0.00 -0.00 5.36 3.32 -1.05 -3.34 116.42 120.86 3k1a h ASP 357 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1a h ASP 357 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3k1a h ASP 357 CO 0.09 0.59 -0.54 -1.20 -1.72 0.00 0.00 179.24 176.47 3k1a n SER 358 N -3.63 0.92 0.06 6.45 7.64 -0.74 -4.72 113.62 119.59 3k1a n SER 358 Ca -0.01 -0.96 0.18 0.00 1.01 0.00 0.00 58.87 59.10 3k1a n SER 358 Cb 0.64 0.84 0.69 0.00 -1.01 0.00 0.00 64.21 65.36 3k1a n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3k1a h HIS 359 N 0.50 0.00 0.00 1.43 2.07 -1.47 -2.32 115.15 115.36 3k1a h HIS 359 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 3k1a h HIS 359 Cb 0.38 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.34 3k1a h HIS 359 CO 0.00 0.00 -0.56 1.79 -3.07 0.00 0.00 177.93 176.09 3k1a h THR 360 N 0.00 1.36 0.00 6.12 1.35 -1.87 -0.27 112.91 119.60 3k1a h THR 360 Ca 0.20 -1.95 -0.20 0.00 -0.55 0.00 0.00 66.41 63.91 3k1a h THR 360 Cb 0.82 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 3k1a h THR 360 CO -0.00 0.55 -1.15 -0.50 -0.25 0.00 0.00 175.52 174.16 3k1a h TRP 361 N 0.00 0.00 0.00 4.73 4.06 -1.79 -3.34 115.95 119.61 3k1a h TRP 361 Ca -0.01 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 3k1a h TRP 361 Cb 1.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 3k1a h TRP 361 CO 0.00 0.78 -0.83 -0.07 -3.56 0.00 0.00 178.44 174.76 3k1a h LEU 362 N 0.00 0.00 -9.47 -4.49 3.38 -1.34 -3.45 115.31 99.94 3k1a h LEU 362 Ca -0.11 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.30 3k1a h LEU 362 Cb 1.70 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.48 3k1a h LEU 362 CO 0.08 0.78 1.05 1.57 0.09 0.00 0.00 178.44 182.02 3k1a n HIS 363 N -3.28 2.51 -0.95 1.13 -0.00 -0.13 -2.24 115.22 112.27 3k1a n HIS 363 Ca 0.00 -0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.13 3k1a n HIS 363 Cb 0.86 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3k1a n HIS 363 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3k1a n GLY 364 N 4.11 0.76 3.77 1.57 0.00 -0.21 -4.99 105.19 110.20 3k1a n GLY 364 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3k1a n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s LYS 365 N -0.18 4.33 -0.20 1.61 -0.14 -0.95 -4.65 119.74 119.56 3k1a s LYS 365 Ca 0.00 2.14 -0.05 0.00 -1.36 0.00 0.00 55.97 56.70 3k1a s LYS 365 Cb 0.00 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 3k1a s LYS 365 CO 0.00 -0.18 -0.01 1.03 -0.76 0.00 0.00 175.35 175.43 3k1a s ARG 366 N -1.83 3.57 -0.06 1.68 0.52 -1.26 -0.62 118.95 120.95 3k1a s ARG 366 Ca 0.50 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.21 3k1a s ARG 366 Cb -0.38 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 3k1a s ARG 366 CO 0.50 0.00 -0.22 -0.06 0.02 0.00 0.00 175.30 175.55 3k1a s PHE 367 N 1.00 2.18 -0.18 -0.53 0.40 -0.55 -0.68 117.98 119.63 3k1a s PHE 367 Ca 0.01 -0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 3k1a s PHE 367 Cb -0.14 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3k1a s PHE 367 CO 0.01 -0.24 0.23 0.00 0.70 0.00 0.00 175.22 175.92 3k1a s ALA 368 N 0.04 3.63 0.07 5.36 0.00 -0.52 -1.32 121.76 129.02 3k1a s ALA 368 Ca -0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 3k1a s ALA 368 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3k1a s ALA 368 CO 0.04 0.10 0.16 -0.48 0.00 0.00 0.00 175.76 175.58 3k1a s LEU 369 N 0.46 1.57 0.24 0.00 -0.00 0.65 -0.65 118.68 120.96 3k1a s LEU 369 Ca 0.13 -0.63 -0.14 0.00 -0.00 0.00 0.00 54.13 53.49 3k1a s LEU 369 Cb -0.12 0.88 -0.00 0.00 -0.00 0.00 0.00 46.19 46.95 3k1a s LEU 369 CO 0.02 -0.66 0.50 -1.66 -0.00 0.00 0.00 176.35 174.54 3k1a s TRP 370 N -3.51 0.28 -5.00 3.48 -2.14 -1.12 -1.41 118.94 109.53 3k1a s TRP 370 Ca 0.02 -0.65 0.00 0.00 2.66 0.00 0.00 56.10 58.13 3k1a s TRP 370 Cb 0.04 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 3k1a s TRP 370 CO -0.09 -1.00 0.00 0.41 -2.66 0.00 0.00 176.95 173.61 3k1a n GLY 371 N -0.38 0.26 3.81 3.67 0.00 -1.19 -4.68 105.19 106.68 3k1a n GLY 371 Ca -0.02 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 3k1a n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1a s ASP 372 N -4.00 5.61 0.17 1.61 1.01 -1.26 -4.49 116.67 115.31 3k1a s ASP 372 Ca 0.00 1.74 -0.18 0.00 0.71 0.00 0.00 52.55 54.82 3k1a s ASP 372 Cb 0.00 -2.52 0.10 0.00 1.01 0.00 0.00 42.92 41.51 3k1a s ASP 372 CO 0.00 -1.29 1.65 -0.65 0.21 0.00 0.00 175.17 175.09 3k1a h PRO 373 N -0.01 -0.07 -0.35 8.23 0.11 -1.95 -0.46 132.00 137.49 3k1a h PRO 373 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3k1a h PRO 373 Cb 1.22 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3k1a h PRO 373 CO 0.57 -0.04 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.47 3k1a h ASP 374 N -0.07 0.93 -0.44 -2.05 3.32 -1.93 -2.52 116.42 113.65 3k1a h ASP 374 Ca 0.19 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3k1a h ASP 374 Cb 0.36 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3k1a h ASP 374 CO -0.44 1.21 0.06 0.15 -1.72 0.00 0.00 179.24 178.50 3k1a h PHE 375 N 0.70 0.79 -0.28 4.55 3.57 -1.85 -2.21 116.94 122.21 3k1a h PHE 375 Ca 0.05 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3k1a h PHE 375 Cb 0.99 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3k1a h PHE 375 CO 0.06 0.76 0.09 0.28 -2.23 0.00 0.00 178.31 177.26 3k1a h VAL 376 N 0.60 1.20 -0.38 1.41 2.07 -1.05 -1.32 116.25 118.77 3k1a h VAL 376 Ca 0.13 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3k1a h VAL 376 Cb 0.40 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3k1a h VAL 376 CO 0.01 0.21 -0.16 0.00 0.02 0.00 0.00 177.57 177.66 3k1a h MET 377 N 0.29 0.70 -0.40 1.57 -0.00 -1.45 0.23 114.93 115.88 3k1a h MET 377 Ca 0.09 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.70 59.52 3k1a h MET 377 Cb 0.24 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 31.77 3k1a h MET 377 CO -0.00 0.82 0.12 0.78 -0.00 0.00 0.00 176.91 178.63 3k1a h GLY 378 N 0.98 0.67 0.93 -3.00 0.00 -1.32 0.58 103.07 101.90 3k1a h GLY 378 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3k1a h GLY 378 CO 0.04 0.37 0.10 -2.00 0.00 0.00 0.00 176.54 175.05 3k1a h LEU 379 N 0.50 0.24 -0.44 3.11 5.85 -0.98 -1.24 115.31 122.35 3k1a h LEU 379 Ca 0.13 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3k1a h LEU 379 Cb 0.26 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3k1a h LEU 379 CO -0.00 0.27 0.09 0.58 -0.34 0.00 0.00 178.44 179.04 3k1a h VAL 380 N 0.19 0.78 0.07 1.05 2.07 -0.43 0.10 116.25 120.08 3k1a h VAL 380 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3k1a h VAL 380 Cb 0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3k1a h VAL 380 CO -0.01 0.04 -0.14 0.50 0.02 0.00 0.00 177.57 177.98 3k1a h LYS 381 N 0.23 -0.27 -0.47 1.57 1.63 -0.68 -2.32 116.57 116.26 3k1a h LYS 381 Ca 0.21 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 3k1a h LYS 381 Cb 0.26 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 3k1a h LYS 381 CO -0.27 -0.18 0.10 0.35 -3.45 0.00 0.00 179.45 176.00 3k1a h PHE 382 N -0.28 0.80 -0.59 1.91 3.57 -0.95 -1.87 116.94 119.54 3k1a h PHE 382 Ca 0.03 -0.10 0.12 0.00 3.53 0.00 0.00 57.97 61.55 3k1a h PHE 382 Cb 0.30 -0.22 -0.10 0.00 2.79 0.00 0.00 35.95 38.72 3k1a h PHE 382 CO -0.17 0.73 0.03 -0.07 -2.23 0.00 0.00 178.31 176.61 3k1a h LEU 383 N 0.63 -0.19 -0.95 0.59 3.38 -0.71 -0.64 115.31 117.42 3k1a h LEU 383 Ca 0.15 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 3k1a h LEU 383 Cb 0.35 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3k1a h LEU 383 CO 0.00 -0.08 0.38 -0.07 0.09 0.00 0.00 178.44 178.76 3k1a h LEU 384 N 0.15 1.02 -1.97 1.67 3.38 -1.03 0.14 115.31 118.68 3k1a h LEU 384 Ca 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3k1a h LEU 384 Cb 0.49 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k1a h LEU 384 CO -0.48 0.86 -0.10 -0.33 0.09 0.00 0.00 178.44 178.48 3k1a h GLU 385 N 1.12 0.00 -0.01 1.13 5.08 -0.43 -2.11 114.58 119.36 3k1a h GLU 385 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3k1a h GLU 385 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3k1a h GLU 385 CO -0.03 0.10 -0.11 1.28 -1.00 0.00 0.00 179.01 179.25 3k1a n LEU 386 N -3.93 0.97 0.00 1.33 4.77 -0.36 -4.93 117.00 114.85 3k1a n LEU 386 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3k1a n LEU 386 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3k1a n LEU 386 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3k1a n GLY 387 N 1.24 0.40 3.93 -0.72 0.00 -0.79 -4.39 105.19 104.86 3k1a n GLY 387 Ca 0.16 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 3k1a n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1a s GLU 389 N -3.53 2.63 -1.16 0.00 2.02 0.21 -3.86 118.70 115.00 3k1a s GLU 389 Ca 0.39 -1.30 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 3k1a s GLU 389 Cb -0.11 -3.65 0.06 0.00 0.10 0.00 0.00 34.13 30.53 3k1a s GLU 389 CO 0.30 -0.81 1.61 -1.25 0.02 0.00 0.00 175.26 175.13 3k1a s PRO 390 N 1.43 3.77 0.02 0.39 0.05 -1.26 -1.48 135.00 137.92 3k1a s PRO 390 Ca 0.01 -1.56 -0.23 0.00 0.05 0.00 0.00 61.00 59.27 3k1a s PRO 390 Cb -0.21 -5.45 -0.16 0.00 0.05 0.00 0.00 34.50 28.73 3k1a s PRO 390 CO 0.03 -2.27 1.37 0.28 0.05 0.00 0.00 177.00 176.47 3k1a h VAL 391 N 6.17 1.32 -3.71 -0.36 2.07 -1.46 -3.39 116.25 116.89 3k1a h VAL 391 Ca 0.33 -1.03 -0.69 0.00 0.82 0.00 0.00 66.70 66.13 3k1a h VAL 391 Cb 0.94 1.85 -0.33 0.00 -1.52 0.00 0.00 31.29 32.22 3k1a h VAL 391 CO 1.44 0.29 -0.67 -1.00 0.02 0.00 0.00 177.57 177.65 3k1a s HIS 392 N -4.58 3.34 -0.22 1.57 3.76 -1.07 -1.25 115.29 116.85 3k1a s HIS 392 Ca -0.15 -1.98 -0.03 0.00 -0.15 0.00 0.00 55.06 52.75 3k1a s HIS 392 Cb 0.04 -2.36 -0.00 0.00 1.11 0.00 0.00 32.58 31.36 3k1a s HIS 392 CO 0.70 -0.84 -0.06 0.42 -0.85 0.00 0.00 174.74 174.12 3k1a s ILE 393 N 1.23 3.20 -0.09 0.60 1.01 -0.41 -0.26 121.20 126.49 3k1a s ILE 393 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 3k1a s ILE 393 Cb -0.20 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.84 3k1a s ILE 393 CO -0.02 0.43 -0.06 -0.22 0.00 0.00 0.00 174.94 175.08 3k1a s LEU 394 N 1.45 1.12 -0.33 2.97 0.20 -0.50 0.11 118.68 123.72 3k1a s LEU 394 Ca 0.06 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.64 3k1a s LEU 394 Cb -0.14 -0.72 0.10 0.00 -0.43 0.00 0.00 46.19 45.00 3k1a s LEU 394 CO -0.05 -0.11 0.10 0.00 -0.29 0.00 0.00 176.35 176.01 3k1a h HIS 396 N 7.89 0.87 -0.67 0.00 2.76 -1.79 -1.42 115.15 122.79 3k1a h HIS 396 Ca -0.11 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.85 3k1a h HIS 396 Cb 1.01 -0.26 -0.14 0.00 1.55 0.00 0.00 27.41 29.56 3k1a h HIS 396 CO 0.39 0.34 0.31 0.27 -1.30 0.00 0.00 177.93 177.93 3k1a n ASN 397 N -4.75 4.16 -4.92 3.26 6.94 -1.26 -2.87 115.26 115.82 3k1a n ASN 397 Ca 0.14 -3.08 -0.26 0.00 -0.02 0.00 0.00 54.58 51.37 3k1a n ASN 397 Cb 0.30 -0.72 0.05 0.00 -2.36 0.00 0.00 39.78 37.04 3k1a n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3k1a s GLY 398 N -0.77 1.66 0.35 4.83 0.00 -0.54 -4.81 107.32 108.04 3k1a s GLY 398 Ca 0.46 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.39 3k1a s GLY 398 CO 0.11 -0.48 0.07 0.54 0.00 0.00 0.00 173.10 173.34 3k1a s ASN 399 N -4.42 2.52 0.16 1.64 2.20 -1.26 -4.55 114.94 111.23 3k1a s ASN 399 Ca 0.57 -1.45 -0.15 0.00 -0.94 0.00 0.00 52.86 50.89 3k1a s ASN 399 Cb -0.11 0.07 0.08 0.00 -2.00 0.00 0.00 41.25 39.30 3k1a s ASN 399 CO 0.45 -0.69 1.75 0.11 -2.94 0.00 0.00 177.10 175.78 3k1a h LYS 400 N 2.02 0.30 -0.68 3.55 1.57 -1.99 -0.68 116.57 120.65 3k1a h LYS 400 Ca -0.40 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 3k1a h LYS 400 Cb 1.25 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3k1a h LYS 400 CO 0.67 0.20 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 3k1a h ARG 401 N 0.31 1.03 -0.46 3.15 3.08 -2.00 -1.58 114.38 117.91 3k1a h ARG 401 Ca 0.18 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3k1a h ARG 401 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3k1a h ARG 401 CO -0.18 0.87 0.17 2.35 -1.07 0.00 0.00 179.97 182.11 3k1a h TRP 402 N 1.00 0.72 -0.49 3.04 7.01 -1.89 -2.84 115.95 122.50 3k1a h TRP 402 Ca 0.23 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3k1a h TRP 402 Cb 0.25 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3k1a h TRP 402 CO 0.02 0.62 0.31 -0.22 -2.79 0.00 0.00 178.44 176.38 3k1a h LYS 403 N 0.61 0.65 -0.56 2.65 3.64 -0.60 -1.68 116.57 121.27 3k1a h LYS 403 Ca 0.15 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 3k1a h LYS 403 Cb 0.21 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 3k1a h LYS 403 CO -0.01 0.45 0.04 0.87 -2.27 0.00 0.00 179.45 178.53 3k1a h LYS 404 N 0.65 0.16 0.05 1.90 1.79 -1.30 0.13 116.57 119.94 3k1a h LYS 404 Ca 0.18 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 3k1a h LYS 404 Cb -0.05 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 3k1a h LYS 404 CO -0.04 0.10 -0.16 0.00 -1.08 0.00 0.00 179.45 178.28 3k1a h ALA 405 N 1.49 -0.23 -0.67 3.86 0.00 -1.10 -1.21 119.26 121.40 3k1a h ALA 405 Ca 0.29 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3k1a h ALA 405 Cb 0.45 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3k1a h ALA 405 CO -0.44 -0.67 0.14 0.28 0.00 0.00 0.00 179.25 178.56 3k1a h VAL 406 N -0.29 1.26 -0.52 0.00 2.07 -0.99 -1.91 116.25 115.88 3k1a h VAL 406 Ca 0.04 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3k1a h VAL 406 Cb 0.33 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3k1a h VAL 406 CO -0.12 0.37 0.27 0.44 0.02 0.00 0.00 177.57 178.55 3k1a h ASP 407 N 1.02 0.64 -0.38 0.57 3.32 -0.51 -0.63 116.42 120.46 3k1a h ASP 407 Ca 0.21 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3k1a h ASP 407 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3k1a h ASP 407 CO 0.01 0.53 -0.25 0.00 -1.72 0.00 0.00 179.24 177.80 3k1a h ALA 408 N 1.58 0.54 -0.56 3.45 0.00 -0.86 -1.69 119.26 121.72 3k1a h ALA 408 Ca 0.18 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3k1a h ALA 408 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3k1a h ALA 408 CO -0.03 0.53 0.36 0.82 0.00 0.00 0.00 179.25 180.94 3k1a h ILE 409 N 0.63 1.12 -0.63 0.00 2.04 -0.97 -2.42 117.51 117.29 3k1a h ILE 409 Ca 0.08 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3k1a h ILE 409 Cb 0.82 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3k1a h ILE 409 CO 0.07 0.13 0.30 -0.07 0.00 0.00 0.00 178.15 178.58 3k1a h LEU 410 N 0.73 0.83 -1.54 1.44 3.38 -1.07 -3.03 115.31 116.05 3k1a h LEU 410 Ca 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3k1a h LEU 410 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3k1a h LEU 410 CO -0.06 0.74 -0.24 0.00 0.09 0.00 0.00 178.44 178.97 3k1a h ALA 411 N 1.13 1.49 -0.10 1.53 0.00 -1.02 -2.73 119.26 119.57 3k1a h ALA 411 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3k1a h ALA 411 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k1a h ALA 411 CO -0.03 0.30 0.04 0.00 0.00 0.00 0.00 179.25 179.56 3k1a n ALA 412 N -2.44 2.77 -3.60 0.00 0.00 -0.93 -4.76 120.51 111.54 3k1a n ALA 412 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 3k1a n ALA 412 Cb 0.31 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 3k1a n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1a s SER 413 N 0.28 -0.75 0.17 0.00 0.15 -1.03 -5.03 113.70 107.50 3k1a s SER 413 Ca 0.07 1.31 0.17 0.00 0.70 0.00 0.00 55.95 58.20 3k1a s SER 413 Cb 0.06 1.25 0.78 0.00 -1.71 0.00 0.00 66.02 66.39 3k1a s SER 413 CO 0.02 -0.22 1.52 -0.81 1.20 0.00 0.00 173.24 174.95 3k1a n PRO 414 N 3.58 0.10 0.00 5.44 -0.04 -1.26 -2.21 135.00 140.61 3k1a n PRO 414 Ca -0.18 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3k1a n PRO 414 Cb 0.57 -1.75 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 3k1a n PRO 414 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1a n TYR 415 N -1.95 0.00 0.44 0.54 4.01 -1.26 -3.53 117.16 115.41 3k1a n TYR 415 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 3k1a n TYR 415 Cb 0.13 -0.31 0.26 0.00 -0.31 0.00 0.00 39.34 39.11 3k1a n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1a n GLY 416 N 1.45 1.40 0.23 2.72 0.00 -0.94 -4.21 105.19 105.83 3k1a n GLY 416 Ca 0.08 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.51 3k1a n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1a h LYS 417 N 3.44 0.17 -0.40 1.61 1.57 -1.70 -2.58 116.57 118.67 3k1a h LYS 417 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k1a h LYS 417 Cb 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3k1a h LYS 417 CO 0.00 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.34 3k1a n ASN 418 N -4.23 4.20 -4.85 0.86 3.02 -1.26 -5.00 115.26 107.99 3k1a n ASN 418 Ca -0.01 -2.72 -0.35 0.00 -0.03 0.00 0.00 54.58 51.46 3k1a n ASN 418 Cb 0.31 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3k1a n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1a s ALA 419 N -2.32 3.67 -0.02 5.41 0.00 -0.97 -4.61 121.76 122.90 3k1a s ALA 419 Ca 0.43 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3k1a s ALA 419 Cb 0.31 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3k1a s ALA 419 CO 0.14 0.52 -0.05 0.99 0.00 0.00 0.00 175.76 177.35 3k1a s THR 420 N -1.38 0.51 -0.19 0.00 2.01 -0.38 -5.03 115.64 111.19 3k1a s THR 420 Ca 0.34 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 3k1a s THR 420 Cb -0.15 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 3k1a s THR 420 CO 0.18 0.18 0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 3k1a s VAL 421 N 0.40 5.29 -0.10 3.82 1.01 -1.26 -1.28 120.40 128.29 3k1a s VAL 421 Ca -0.05 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3k1a s VAL 421 Cb -0.09 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3k1a s VAL 421 CO -0.00 0.47 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 3k1a s TYR 422 N 0.19 2.61 0.05 5.22 1.51 0.30 -4.98 117.35 122.26 3k1a s TYR 422 Ca 0.08 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 3k1a s TYR 422 Cb -0.11 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3k1a s TYR 422 CO -0.01 -0.29 -0.20 0.96 -1.11 0.00 0.00 175.55 174.90 3k1a s ILE 423 N 0.18 1.61 0.00 2.71 -4.36 -1.26 -0.84 121.20 119.23 3k1a s ILE 423 Ca -0.12 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3k1a s ILE 423 Cb -0.16 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.13 3k1a s ILE 423 CO 0.07 0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.98 3k1a n GLY 424 N 1.70 0.82 3.76 6.27 0.00 -1.14 -4.98 105.19 111.62 3k1a n GLY 424 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3k1a n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s LYS 425 N -0.09 2.82 0.29 1.61 -0.14 -1.26 -4.97 119.74 117.99 3k1a s LYS 425 Ca 0.00 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 3k1a s LYS 425 Cb 0.00 -2.69 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 3k1a s LYS 425 CO 0.00 0.56 0.13 -0.40 -0.76 0.00 0.00 175.35 174.88 3k1a n ASP 426 N 0.43 2.27 0.22 2.83 5.68 -1.26 -3.76 116.55 122.96 3k1a n ASP 426 Ca -0.09 -2.09 0.15 0.00 -0.50 0.00 0.00 54.79 52.26 3k1a n ASP 426 Cb 0.52 0.06 0.59 0.00 -1.14 0.00 0.00 41.12 41.15 3k1a n ASP 426 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3k1a h LEU 427 N 0.00 0.00 -0.36 -2.12 3.38 -1.39 -1.97 115.31 112.85 3k1a h LEU 427 Ca -0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 3k1a h LEU 427 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3k1a h LEU 427 CO 0.33 0.00 -0.82 -0.25 0.09 0.00 0.00 178.44 177.78 3k1a h TRP 428 N 0.00 0.23 -0.23 1.13 2.91 -1.72 0.05 115.95 118.32 3k1a h TRP 428 Ca 0.00 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 3k1a h TRP 428 Cb 0.51 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 3k1a h TRP 428 CO 0.00 0.91 0.08 0.45 -1.03 0.00 0.00 178.44 178.85 3k1a h HIS 429 N 0.09 0.36 -0.41 2.65 3.86 -1.67 -3.15 115.15 116.88 3k1a h HIS 429 Ca -0.03 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3k1a h HIS 429 Cb 1.43 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.78 3k1a h HIS 429 CO 0.02 0.40 0.12 1.25 0.86 0.00 0.00 177.93 180.59 3k1a h LEU 430 N 0.21 0.54 -0.30 2.43 5.85 -1.25 -2.07 115.31 120.72 3k1a h LEU 430 Ca 0.07 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3k1a h LEU 430 Cb 0.20 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3k1a h LEU 430 CO -0.00 0.53 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.45 3k1a h ARG 431 N 0.58 -0.01 -0.35 1.25 2.43 -0.97 -1.19 114.38 116.12 3k1a h ARG 431 Ca 0.14 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3k1a h ARG 431 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3k1a h ARG 431 CO -0.01 -0.01 0.10 0.77 -1.51 0.00 0.00 179.97 179.32 3k1a h SER 432 N -0.01 0.09 -0.94 -3.80 0.02 -1.35 -2.83 113.55 104.73 3k1a h SER 432 Ca 0.14 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3k1a h SER 432 Cb 0.23 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3k1a h SER 432 CO -0.31 0.09 0.62 -0.07 -1.14 0.00 0.00 176.83 176.01 3k1a h LEU 433 N 0.24 1.04 -0.28 5.07 3.38 -0.97 -0.81 115.31 122.98 3k1a h LEU 433 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3k1a h LEU 433 Cb 0.15 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3k1a h LEU 433 CO -0.18 0.72 0.00 1.33 0.09 0.00 0.00 178.44 180.40 3k1a n VAL 434 N -4.43 0.67 -0.07 1.22 0.24 -0.50 -1.06 118.33 114.41 3k1a n VAL 434 Ca 0.12 0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.26 3k1a n VAL 434 Cb 0.08 -0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 31.45 3k1a n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3k1a h PHE 435 N 0.00 0.13 0.00 6.34 0.04 -1.04 -3.33 116.94 119.08 3k1a h PHE 435 Ca 0.00 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 3k1a h PHE 435 Cb 0.48 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3k1a h PHE 435 CO 0.00 1.45 -0.85 1.79 -0.60 0.00 0.00 178.31 180.10 3k1a h THR 436 N -0.77 0.81 -2.01 -1.55 1.35 -1.16 -3.36 112.91 106.22 3k1a h THR 436 Ca -0.29 -2.25 -0.56 0.00 -0.55 0.00 0.00 66.41 62.76 3k1a h THR 436 Cb 1.41 2.33 -0.39 0.00 -1.73 0.00 0.00 68.15 69.76 3k1a h THR 436 CO -0.10 0.46 -1.08 -0.67 -0.25 0.00 0.00 175.52 173.89 3k1a n ASP 437 N -3.12 0.43 -4.66 5.36 2.03 -0.22 -5.05 116.55 111.31 3k1a n ASP 437 Ca -0.02 -2.75 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3k1a n ASP 437 Cb 0.79 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 3k1a n ASP 437 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3k1a s LYS 438 N -1.31 4.14 0.83 -0.67 2.20 -1.25 -4.53 119.74 119.15 3k1a s LYS 438 Ca 0.36 2.61 -0.07 0.00 -0.36 0.00 0.00 55.97 58.51 3k1a s LYS 438 Cb 0.17 -4.16 0.17 0.00 -1.51 0.00 0.00 37.83 32.50 3k1a s LYS 438 CO -0.10 -0.95 1.14 -1.25 -0.36 0.00 0.00 175.35 173.82 3k1a s PRO 439 N 4.44 1.18 0.01 4.03 0.04 -1.26 -5.03 135.00 138.41 3k1a s PRO 439 Ca 0.88 -0.90 0.04 0.00 0.04 0.00 0.00 61.00 61.06 3k1a s PRO 439 Cb -0.43 -2.14 -0.25 0.00 0.04 0.00 0.00 34.50 31.73 3k1a s PRO 439 CO 0.41 -1.89 0.86 -0.44 0.04 0.00 0.00 177.00 175.99 3k1a h ASP 440 N -1.00 0.19 -5.13 6.66 3.32 -1.29 -3.46 116.42 115.70 3k1a h ASP 440 Ca -0.39 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.29 3k1a h ASP 440 Cb 1.25 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3k1a h ASP 440 CO 0.37 1.24 -0.34 -0.36 -1.72 0.00 0.00 179.24 178.43 3k1a s PHE 441 N -2.63 0.09 -0.10 4.55 0.40 -0.96 -4.19 117.98 115.15 3k1a s PHE 441 Ca -0.06 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.78 3k1a s PHE 441 Cb 0.08 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.55 3k1a s PHE 441 CO 0.83 -0.54 -0.01 -1.64 0.70 0.00 0.00 175.22 174.56 3k1a s MET 442 N -3.58 3.09 -0.23 0.44 -1.94 -0.22 -1.44 119.30 115.42 3k1a s MET 442 Ca 0.03 -0.45 -0.04 0.00 -1.71 0.00 0.00 55.69 53.51 3k1a s MET 442 Cb 0.03 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 3k1a s MET 442 CO -0.10 0.60 -0.02 0.42 -0.01 0.00 0.00 175.02 175.92 3k1a s ILE 443 N -0.62 3.52 0.00 2.53 1.01 0.18 0.88 121.20 128.71 3k1a s ILE 443 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3k1a s ILE 443 Cb -0.12 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3k1a s ILE 443 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3k1a n GLY 444 N 4.81 0.63 3.99 6.18 0.00 -0.16 -2.79 105.19 117.85 3k1a n GLY 444 Ca -0.18 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 3k1a n GLY 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s ASN 445 N -0.61 3.98 0.56 1.61 2.20 -1.25 -1.46 114.94 119.97 3k1a s ASN 445 Ca 0.00 -0.33 0.24 0.00 -0.94 0.00 0.00 52.86 51.83 3k1a s ASN 445 Cb 0.00 0.09 1.55 0.00 -2.00 0.00 0.00 41.25 40.89 3k1a s ASN 445 CO 0.00 -2.13 2.17 0.28 -2.94 0.00 0.00 177.10 174.48 3k1a h SER 446 N -0.80 0.00 -0.04 3.54 0.02 -1.67 -1.34 113.55 113.25 3k1a h SER 446 Ca -0.37 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3k1a h SER 446 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 3k1a h SER 446 CO 0.37 0.00 0.04 1.88 -1.14 0.00 0.00 176.83 177.98 3k1a h TYR 447 N 0.00 0.00 -0.00 3.45 0.05 -1.94 -1.24 116.97 117.28 3k1a h TYR 447 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k1a h TYR 447 Cb 0.16 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3k1a h TYR 447 CO 0.00 0.00 0.10 0.78 -1.05 0.00 0.00 178.16 177.99 3k1a h GLY 448 N 0.00 0.00 1.93 3.88 0.00 -1.61 -2.88 103.07 104.40 3k1a h GLY 448 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3k1a h GLY 448 CO -0.00 0.00 -0.08 0.07 0.00 0.00 0.00 176.54 176.53 3k1a h LYS 449 N 0.00 0.09 0.00 4.80 2.10 -1.42 -1.84 116.57 120.30 3k1a h LYS 449 Ca 0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 3k1a h LYS 449 Cb 0.20 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 3k1a h LYS 449 CO -0.00 0.18 -0.19 0.74 -2.00 0.00 0.00 179.45 178.18 3k1a h PHE 450 N 0.09 0.00 0.08 0.07 0.04 -1.72 -0.85 116.94 114.65 3k1a h PHE 450 Ca 0.02 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.52 3k1a h PHE 450 Cb 0.20 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.37 3k1a h PHE 450 CO 0.00 0.19 -1.12 0.82 -0.60 0.00 0.00 178.31 177.60 3k1a h ILE 451 N 0.00 1.31 -0.74 -0.55 2.04 -1.51 -2.72 117.51 115.33 3k1a h ILE 451 Ca -0.00 -2.38 -0.05 0.00 1.00 0.00 0.00 64.86 63.43 3k1a h ILE 451 Cb 0.82 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 39.51 3k1a h ILE 451 CO 0.02 0.72 0.27 -0.61 0.00 0.00 0.00 178.15 178.56 3k1a h GLN 452 N 0.23 1.13 -0.78 2.37 4.15 -1.27 -1.51 115.11 119.43 3k1a h GLN 452 Ca -0.16 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.07 3k1a h GLN 452 Cb 1.80 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 29.27 3k1a h GLN 452 CO 0.22 0.94 0.49 -0.09 -1.93 0.00 0.00 178.83 178.45 3k1a h ARG 453 N 1.08 0.91 -0.32 1.69 1.12 -1.22 -1.59 114.38 116.06 3k1a h ARG 453 Ca 0.24 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 59.01 3k1a h ARG 453 Cb 0.25 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 3k1a h ARG 453 CO -0.02 0.60 0.02 -0.44 -3.11 0.00 0.00 179.97 177.03 3k1a h ASP 454 N 0.94 0.54 -0.63 -3.80 3.32 -1.16 -2.74 116.42 112.89 3k1a h ASP 454 Ca 0.32 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3k1a h ASP 454 Cb 0.05 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k1a h ASP 454 CO -0.13 0.70 0.33 0.71 -1.72 0.00 0.00 179.24 179.13 3k1a h THR 455 N 0.36 1.21 -0.58 0.35 1.35 -1.10 -2.74 112.91 111.75 3k1a h THR 455 Ca 0.09 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 3k1a h THR 455 Cb 0.41 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.22 3k1a h THR 455 CO 0.01 0.23 0.29 0.25 -0.25 0.00 0.00 175.52 176.06 3k1a h LEU 456 N 0.86 0.73 -1.59 3.87 5.85 -1.26 -2.41 115.31 121.36 3k1a h LEU 456 Ca 0.22 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3k1a h LEU 456 Cb 0.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3k1a h LEU 456 CO -0.03 0.61 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.88 3k1a h HIS 457 N 0.82 0.19 -0.35 1.25 2.76 -1.18 -1.15 115.15 117.48 3k1a h HIS 457 Ca 0.20 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.26 3k1a h HIS 457 Cb 0.07 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3k1a h HIS 457 CO 0.01 0.26 -0.22 -0.22 -1.30 0.00 0.00 177.93 176.45 3k1a h LYS 458 N 0.18 0.69 0.00 5.26 3.64 -1.31 -3.48 116.57 121.55 3k1a h LYS 458 Ca 0.04 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3k1a h LYS 458 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3k1a h LYS 458 CO 0.01 0.85 0.00 0.41 -2.27 0.00 0.00 179.45 178.45 3k1a n GLY 459 N -0.30 3.49 0.35 5.01 0.00 -0.43 -4.94 105.19 108.38 3k1a n GLY 459 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3k1a n GLY 459 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k1a h LYS 460 N 0.00 0.56 0.00 1.61 1.63 -1.84 -0.09 116.57 118.44 3k1a h LYS 460 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3k1a h LYS 460 Cb 0.00 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3k1a h LYS 460 CO 0.00 0.37 -0.03 0.93 -3.45 0.00 0.00 179.45 177.28 3k1a h GLU 461 N 0.58 0.00 -0.00 1.90 3.07 -1.92 -2.78 114.58 115.43 3k1a h GLU 461 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3k1a h GLU 461 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3k1a h GLU 461 CO -0.09 0.03 -0.73 1.19 -1.40 0.00 0.00 179.01 178.01 3k1a n PHE 462 N -3.17 0.00 -1.70 4.33 3.72 -0.13 -4.99 117.46 115.52 3k1a n PHE 462 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 3k1a n PHE 462 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3k1a n PHE 462 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3k1a n GLU 463 N -1.22 2.32 -3.94 -1.08 2.13 -0.68 -4.65 120.64 113.52 3k1a n GLU 463 Ca 0.04 0.83 -0.32 0.00 0.66 0.00 0.00 57.16 58.37 3k1a n GLU 463 Cb 0.27 -2.56 -0.14 0.00 0.27 0.00 0.00 31.44 29.29 3k1a n GLU 463 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3k1a s VAL 464 N 0.19 2.62 0.37 6.31 1.01 -1.26 -4.94 120.40 124.70 3k1a s VAL 464 Ca 0.69 -2.55 -0.27 0.00 0.00 0.00 0.00 61.98 59.84 3k1a s VAL 464 Cb -0.59 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 3k1a s VAL 464 CO 0.46 -0.68 1.37 -2.65 0.00 0.00 0.00 175.10 173.60 3k1a n PRO 465 N 4.01 2.30 -3.08 2.72 -0.02 -1.26 -4.45 135.00 135.22 3k1a n PRO 465 Ca 0.03 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3k1a n PRO 465 Cb 0.39 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3k1a n PRO 465 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3k1a s LEU 466 N -1.58 4.24 -0.28 2.45 2.96 -1.26 -1.06 118.68 124.14 3k1a s LEU 466 Ca 0.56 1.02 -0.10 0.00 -0.22 0.00 0.00 54.13 55.39 3k1a s LEU 466 Cb -0.52 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3k1a s LEU 466 CO 0.62 -0.19 0.16 -0.63 -1.32 0.00 0.00 176.35 174.98 3k1a s ILE 467 N 1.33 4.91 -0.68 6.68 1.01 0.26 -4.95 121.20 129.76 3k1a s ILE 467 Ca 0.33 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 3k1a s ILE 467 Cb -0.17 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 39.00 3k1a s ILE 467 CO 0.14 0.21 0.97 -0.13 0.00 0.00 0.00 174.94 176.13 3k1a s ARG 468 N 1.69 3.14 -0.05 2.79 0.52 -1.26 -0.98 118.95 124.80 3k1a s ARG 468 Ca 0.06 -0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3k1a s ARG 468 Cb -0.16 -4.28 0.03 0.00 0.52 0.00 0.00 34.95 31.06 3k1a s ARG 468 CO 0.08 -1.81 -0.01 0.42 0.02 0.00 0.00 175.30 174.00 3k1a s ILE 469 N 3.97 0.36 -2.98 1.52 1.01 -0.53 -4.93 121.20 119.62 3k1a s ILE 469 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3k1a s ILE 469 Cb -0.16 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3k1a s ILE 469 CO 0.09 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3k1a n GLY 470 N 4.65 0.61 2.82 6.18 0.00 -1.26 -3.79 105.19 114.39 3k1a n GLY 470 Ca -0.16 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 3k1a n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1a s PHE 471 N -2.23 0.00 0.16 1.61 5.36 -1.26 -4.26 117.98 117.35 3k1a s PHE 471 Ca 0.00 0.12 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 3k1a s PHE 471 Cb 0.00 -0.15 -0.07 0.00 -0.34 0.00 0.00 43.02 42.47 3k1a s PHE 471 CO 0.00 -0.07 0.51 -1.25 -1.46 0.00 0.00 175.22 172.95 3k1a s PRO 472 N 0.72 3.86 -0.44 10.12 0.04 -1.26 -4.82 135.00 143.23 3k1a s PRO 472 Ca -0.06 0.33 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 3k1a s PRO 472 Cb -0.09 -2.85 0.09 0.00 0.04 0.00 0.00 34.50 31.69 3k1a s PRO 472 CO -0.02 0.44 0.30 0.42 0.04 0.00 0.00 177.00 178.18 3k1a s ILE 473 N -1.57 4.34 -0.10 0.56 -1.09 -1.26 -1.64 121.20 120.44 3k1a s ILE 473 Ca 0.40 -1.46 0.17 0.00 -2.23 0.00 0.00 60.65 57.53 3k1a s ILE 473 Cb -0.13 -3.70 -0.24 0.00 -1.58 0.00 0.00 42.46 36.80 3k1a s ILE 473 CO 0.20 -0.58 0.22 0.49 -1.23 0.00 0.00 174.94 174.03 3k1a n PHE 474 N 4.95 0.00 -0.10 3.97 3.72 -1.26 -4.57 117.46 124.17 3k1a n PHE 474 Ca -0.10 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.41 3k1a n PHE 474 Cb 0.42 -0.64 0.25 0.00 -0.94 0.00 0.00 39.48 38.57 3k1a n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k1a n ASP 475 N -2.40 3.56 -4.27 4.37 5.75 -1.26 -4.88 116.55 117.42 3k1a n ASP 475 Ca -0.16 -1.98 -0.17 0.00 -0.01 0.00 0.00 54.79 52.47 3k1a n ASP 475 Cb 0.79 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 3k1a n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k1a s ARG 476 N -1.15 1.10 -0.17 0.11 1.81 -1.26 -5.15 118.95 114.24 3k1a s ARG 476 Ca 0.40 -1.37 -0.07 0.00 -1.72 0.00 0.00 55.73 52.97 3k1a s ARG 476 Cb 0.22 -0.88 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 3k1a s ARG 476 CO 0.29 0.15 0.05 -1.01 -0.68 0.00 0.00 175.30 174.11 3k1a s HIS 477 N -2.63 3.25 -0.24 -0.53 3.76 -1.26 -4.67 115.29 112.97 3k1a s HIS 477 Ca 0.14 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 3k1a s HIS 477 Cb -0.02 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3k1a s HIS 477 CO 0.03 0.20 0.00 0.72 -0.85 0.00 0.00 174.74 174.84 3k1a n HIS 478 N 3.34 0.00 0.39 1.40 8.25 -1.26 -4.87 115.22 122.47 3k1a n HIS 478 Ca -0.17 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3k1a n HIS 478 Cb 0.52 -1.03 0.52 0.00 1.12 0.00 0.00 29.99 31.12 3k1a n HIS 478 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3k1a h LEU 479 N 0.00 0.00 -1.96 2.41 3.38 -1.91 -2.01 115.31 115.22 3k1a h LEU 479 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k1a h LEU 479 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k1a h LEU 479 CO 0.07 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.72 3k1a h HIS 480 N 0.00 0.00 0.00 1.13 2.07 -1.85 -2.06 115.15 114.44 3k1a h HIS 480 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k1a h HIS 480 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 3k1a h HIS 480 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3k1a n ARG 481 N -2.78 0.04 -1.21 5.12 1.74 -0.76 -0.49 116.66 118.32 3k1a n ARG 481 Ca -0.01 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.88 3k1a n ARG 481 Cb 0.14 -1.55 0.19 0.00 -1.02 0.00 0.00 32.46 30.22 3k1a n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3k1a s SER 482 N -3.24 2.25 -0.01 0.55 0.01 -0.77 -3.63 113.70 108.86 3k1a s SER 482 Ca 0.12 0.98 0.06 0.00 1.31 0.00 0.00 55.95 58.41 3k1a s SER 482 Cb 0.16 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 3k1a s SER 482 CO 0.47 -3.34 -0.19 -0.89 0.41 0.00 0.00 173.24 169.71 3k1a s THR 483 N -3.04 1.51 0.00 1.44 2.01 -1.26 -2.57 115.64 113.72 3k1a s THR 483 Ca 0.67 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3k1a s THR 483 Cb -0.16 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3k1a s THR 483 CO 0.57 0.39 0.00 0.35 -0.69 0.00 0.00 174.62 175.24 3k1a n THR 484 N 2.52 0.00 -3.45 -0.82 -2.24 -1.26 -4.40 114.28 104.62 3k1a n THR 484 Ca -0.15 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 3k1a n THR 484 Cb 0.53 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 3k1a n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k1a s LEU 485 N -1.70 4.06 0.00 3.22 1.43 -1.26 -4.16 118.68 120.27 3k1a s LEU 485 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3k1a s LEU 485 Cb 0.00 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3k1a s LEU 485 CO 0.00 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.95 3k1a n GLY 486 N -1.57 -1.81 0.28 -3.19 0.00 -0.27 -1.10 105.19 97.53 3k1a n GLY 486 Ca -0.05 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 3k1a n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k1a h TYR 487 N -0.07 1.14 -0.16 1.61 0.05 -1.90 -2.30 116.97 115.34 3k1a h TYR 487 Ca 0.00 -0.28 0.04 0.00 0.05 0.00 0.00 58.73 58.53 3k1a h TYR 487 Cb 0.07 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 3k1a h TYR 487 CO 0.00 1.11 -0.06 1.49 -1.05 0.00 0.00 178.16 179.65 3k1a h GLU 488 N 0.85 -0.04 -0.66 4.88 4.81 -1.93 0.32 114.58 122.81 3k1a h GLU 488 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3k1a h GLU 488 Cb 0.82 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3k1a h GLU 488 CO 0.07 -0.02 0.29 0.78 -0.73 0.00 0.00 179.01 179.39 3k1a h GLY 489 N -0.04 1.04 0.95 1.92 0.00 -1.10 -1.23 103.07 104.61 3k1a h GLY 489 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 47.33 46.89 3k1a h GLY 489 CO -0.19 0.52 0.56 0.00 0.00 0.00 0.00 176.54 177.43 3k1a h ALA 490 N 1.12 1.10 -0.40 3.60 0.00 -1.12 0.36 119.26 123.93 3k1a h ALA 490 Ca 0.22 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3k1a h ALA 490 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3k1a h ALA 490 CO -0.02 0.45 -0.13 0.52 0.00 0.00 0.00 179.25 180.06 3k1a h MET 491 N 1.12 0.72 -0.40 0.00 2.07 -0.54 -0.15 114.93 117.76 3k1a h MET 491 Ca 0.33 -0.24 -0.10 0.00 -2.07 0.00 0.00 59.70 57.61 3k1a h MET 491 Cb -0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.59 3k1a h MET 491 CO -0.09 0.83 -0.15 1.96 1.07 0.00 0.00 176.91 180.53 3k1a h GLN 492 N 0.65 0.81 0.07 1.72 4.20 -0.81 -2.19 115.11 119.56 3k1a h GLN 492 Ca 0.11 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3k1a h GLN 492 Cb 0.60 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3k1a h GLN 492 CO 0.04 0.96 -0.03 0.82 -0.67 0.00 0.00 178.83 179.94 3k1a h ILE 493 N 0.62 1.04 -0.33 2.54 1.08 -0.72 -2.01 117.51 119.72 3k1a h ILE 493 Ca 0.10 -0.37 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 3k1a h ILE 493 Cb 0.69 1.28 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 3k1a h ILE 493 CO 0.05 0.09 -0.27 0.25 -0.69 0.00 0.00 178.15 177.58 3k1a h LEU 494 N -0.26 -0.89 -0.60 1.44 6.46 -1.05 0.11 115.31 120.52 3k1a h LEU 494 Ca -0.01 0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3k1a h LEU 494 Cb 0.23 0.43 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 3k1a h LEU 494 CO 0.02 -0.29 0.37 0.74 -0.62 0.00 0.00 178.44 178.66 3k1a h THR 495 N -0.23 1.09 -0.18 1.05 2.02 -1.36 -1.10 112.91 114.20 3k1a h THR 495 Ca 0.16 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3k1a h THR 495 Cb 0.49 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3k1a h THR 495 CO -0.47 0.14 0.10 0.74 0.37 0.00 0.00 175.52 176.39 3k1a h THR 496 N 0.74 1.11 0.14 3.16 2.02 -0.72 -2.25 112.91 117.11 3k1a h THR 496 Ca 0.24 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3k1a h THR 496 Cb -0.00 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3k1a h THR 496 CO -0.09 0.10 -0.11 -0.07 0.37 0.00 0.00 175.52 175.72 3k1a h LEU 497 N 0.18 -0.28 -0.53 2.58 3.38 -0.45 -1.42 115.31 118.78 3k1a h LEU 497 Ca 0.06 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3k1a h LEU 497 Cb 0.08 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3k1a h LEU 497 CO -0.01 -0.17 -0.19 0.58 0.09 0.00 0.00 178.44 178.74 3k1a h VAL 498 N -0.26 1.27 0.00 1.22 2.07 -1.23 -2.25 116.25 117.07 3k1a h VAL 498 Ca -0.01 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 3k1a h VAL 498 Cb 0.23 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3k1a h VAL 498 CO -0.01 0.47 -0.52 0.78 0.02 0.00 0.00 177.57 178.31 3k1a h ASN 499 N 0.86 0.00 -0.62 0.57 -0.26 -1.41 -0.94 115.58 113.79 3k1a h ASN 499 Ca 0.12 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 3k1a h ASN 499 Cb 0.76 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 3k1a h ASN 499 CO 0.06 0.52 0.16 0.28 -1.06 0.00 0.00 177.43 177.39 3k1a h SER 500 N 0.00 0.92 -0.22 5.81 0.02 -1.06 0.10 113.55 119.12 3k1a h SER 500 Ca -0.01 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3k1a h SER 500 Cb 1.07 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3k1a h SER 500 CO 0.07 0.91 0.08 0.40 -1.14 0.00 0.00 176.83 177.15 3k1a h ILE 501 N 0.90 1.18 -0.28 3.27 2.04 -1.09 -2.37 117.51 121.15 3k1a h ILE 501 Ca 0.20 -0.55 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 3k1a h ILE 501 Cb 0.33 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3k1a h ILE 501 CO -0.00 0.18 -0.39 -0.07 0.00 0.00 0.00 178.15 177.87 3k1a h LEU 502 N 0.20 0.70 -0.67 1.44 3.38 -1.08 -0.59 115.31 118.69 3k1a h LEU 502 Ca 0.07 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3k1a h LEU 502 Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3k1a h LEU 502 CO -0.00 1.01 0.32 -0.08 0.09 0.00 0.00 178.44 179.78 3k1a h GLU 503 N 0.55 0.97 -0.50 1.13 4.81 -0.82 0.44 114.58 121.15 3k1a h GLU 503 Ca 0.05 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 3k1a h GLU 503 Cb 0.91 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3k1a h GLU 503 CO 0.08 0.77 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.85 3k1a h ARG 504 N 0.93 1.02 -0.72 1.92 9.65 -1.21 -1.53 114.38 124.43 3k1a h ARG 504 Ca 0.23 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 3k1a h ARG 504 Cb 0.12 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3k1a h ARG 504 CO -0.03 1.10 0.42 1.25 2.80 0.00 0.00 179.97 185.52 3k1a h LEU 505 N 0.88 0.88 -0.72 3.80 6.46 -0.89 -1.06 115.31 124.67 3k1a h LEU 505 Ca 0.12 -0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 3k1a h LEU 505 Cb 0.77 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 3k1a h LEU 505 CO 0.06 0.69 0.16 0.44 -0.62 0.00 0.00 178.44 179.18 3k1a h ASP 506 N 0.99 1.08 0.01 1.25 3.32 -0.76 -0.82 116.42 121.49 3k1a h ASP 506 Ca 0.26 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3k1a h ASP 506 Cb -0.01 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.25 3k1a h ASP 506 CO -0.05 1.04 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.43 3k1a h GLU 507 N 1.08 -0.02 0.00 3.56 4.81 -1.06 -2.30 114.58 120.65 3k1a h GLU 507 Ca 0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3k1a h GLU 507 Cb 0.39 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3k1a h GLU 507 CO 0.00 0.03 -0.10 0.93 -0.73 0.00 0.00 179.01 179.14 3k1a h GLU 508 N -0.06 0.00 -0.35 1.92 5.08 -1.02 -2.97 114.58 117.18 3k1a h GLU 508 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3k1a h GLU 508 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3k1a h GLU 508 CO 0.00 0.10 0.01 0.25 -1.00 0.00 0.00 179.01 178.38 3k1a n THR 509 N -3.46 2.43 0.07 1.13 -2.24 -0.33 -4.60 114.28 107.29 3k1a n THR 509 Ca -0.01 -1.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.00 3k1a n THR 509 Cb 0.26 -0.27 0.27 0.00 -2.10 0.00 0.00 70.33 68.48 3k1a n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3k1a n ARG 510 N -0.37 2.50 -2.82 -0.78 0.63 -0.88 -3.18 116.66 111.76 3k1a n ARG 510 Ca 0.25 -2.15 -0.43 0.00 -0.92 0.00 0.00 57.85 54.60 3k1a n ARG 510 Cb 0.99 -1.51 -0.04 0.00 0.45 0.00 0.00 32.46 32.35 3k1a n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3k1a s GLY 511 N -0.97 1.56 0.01 5.14 0.00 -1.26 -4.86 107.32 106.93 3k1a s GLY 511 Ca 0.40 -0.52 -0.32 0.00 0.00 0.00 0.00 44.72 44.27 3k1a s GLY 511 CO 0.26 2.00 1.89 -0.13 0.00 0.00 0.00 173.10 177.12 3k1a n MET 512 N 6.83 2.56 -1.04 2.90 1.56 -1.26 -1.31 117.12 127.36 3k1a n MET 512 Ca 0.07 0.94 -0.01 0.00 -0.27 0.00 0.00 57.70 58.42 3k1a n MET 512 Cb 0.48 -2.83 -0.01 0.00 2.15 0.00 0.00 33.22 33.01 3k1a n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 3k1a n GLN 513 N 6.61 -1.47 0.04 2.12 7.27 -1.26 -4.74 117.38 125.94 3k1a n GLN 513 Ca 0.20 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.71 3k1a n GLN 513 Cb 0.35 -4.57 0.00 0.00 2.41 0.00 0.00 30.24 28.43 3k1a n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1a n ALA 514 N 1.03 3.00 -0.04 1.69 0.00 -0.83 -4.92 120.51 120.44 3k1a n ALA 514 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3k1a n ALA 514 Cb 0.39 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3k1a n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1a n THR 515 N -3.26 0.00 1.98 0.00 -2.24 -0.75 -4.75 114.28 105.25 3k1a n THR 515 Ca 0.00 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3k1a n THR 515 Cb 0.00 1.04 0.83 0.00 -2.10 0.00 0.00 70.33 70.09 3k1a n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k1a n ASP 516 N -0.12 0.06 -0.04 3.42 5.75 -0.43 -2.84 116.55 122.35 3k1a n ASP 516 Ca 0.00 -1.13 0.08 0.00 -0.01 0.00 0.00 54.79 53.73 3k1a n ASP 516 Cb 0.01 -0.00 0.47 0.00 -1.03 0.00 0.00 41.12 40.56 3k1a n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3k1a h TYR 517 N 0.08 0.47 -0.47 2.11 -0.00 -1.85 -2.22 116.97 115.10 3k1a h TYR 517 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.73 3k1a h TYR 517 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 36.58 3k1a h TYR 517 CO 0.00 0.26 0.02 -1.71 -0.00 0.00 0.00 178.16 176.73 3k1a n ASN 518 N -4.47 4.73 -3.82 0.10 5.15 -1.13 -4.75 115.26 111.06 3k1a n ASN 518 Ca 0.07 -2.76 -0.42 0.00 -0.60 0.00 0.00 54.58 50.86 3k1a n ASN 518 Cb 0.22 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 3k1a n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3k1a n HIS 519 N 0.45 2.84 -2.21 1.20 -0.00 -0.84 -4.94 115.22 111.73 3k1a n HIS 519 Ca 0.23 -2.78 -0.42 0.00 0.46 0.00 0.00 57.72 55.22 3k1a n HIS 519 Cb 1.02 -1.90 -0.03 0.00 -0.12 0.00 0.00 29.99 28.97 3k1a n HIS 519 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3k1a s ASP 520 N 0.66 6.88 0.16 0.26 1.11 -1.26 -4.94 116.67 119.54 3k1a s ASP 520 Ca 0.41 2.38 -0.14 0.00 0.18 0.00 0.00 52.55 55.38 3k1a s ASP 520 Cb 0.11 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.54 3k1a s ASP 520 CO -0.00 -0.56 1.76 0.25 1.18 0.00 0.00 175.17 177.80 3k1a h LEU 521 N 5.72 0.66 -8.73 1.23 5.85 -2.00 -3.41 115.31 114.62 3k1a h LEU 521 Ca -0.44 -0.11 -0.64 0.00 0.84 0.00 0.00 57.88 57.53 3k1a h LEU 521 Cb 1.21 -0.17 -0.21 0.00 0.37 0.00 0.00 40.66 41.86 3k1a h LEU 521 CO 0.79 0.59 -0.61 -0.69 -0.34 0.00 0.00 178.44 178.18 3k1a s VAL 522 N -5.78 4.39 0.00 1.05 1.01 -1.26 -5.29 120.40 114.52 3k1a s VAL 522 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3k1a s VAL 522 Cb 0.12 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3k1a s VAL 522 CO 0.76 0.36 0.23 0.54 0.00 0.00 0.00 175.10 177.00