#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cik n LYS 30 N 0.00 0.19 -2.41 1.43 5.02 -1.26 -4.79 118.16 116.35 3cik n LYS 30 Ca 0.00 0.44 -0.24 0.00 -2.02 0.00 0.00 58.31 56.49 3cik n LYS 30 Cb 0.00 -1.88 0.06 0.00 -0.02 0.00 0.00 35.03 33.19 3cik n LYS 30 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3cik s LYS 31 N -3.33 2.30 0.00 1.97 -2.85 -1.26 -3.63 119.74 112.94 3cik s LYS 31 Ca 0.04 -0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 54.17 3cik s LYS 31 Cb 0.09 -2.31 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 3cik s LYS 31 CO 0.38 -1.04 1.15 0.42 0.10 0.00 0.00 175.35 176.36 3cik s ILE 32 N -3.04 4.31 -0.19 3.79 1.01 -1.26 -5.01 121.20 120.80 3cik s ILE 32 Ca 0.59 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.85 3cik s ILE 32 Cb -0.10 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3cik s ILE 32 CO 0.42 0.08 -0.03 -0.22 0.00 0.00 0.00 174.94 175.19 3cik s LEU 33 N 1.47 3.11 0.43 2.97 2.96 -1.26 -5.06 118.68 123.31 3cik s LEU 33 Ca 0.56 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.00 3cik s LEU 33 Cb -0.26 -1.78 -0.11 0.00 0.50 0.00 0.00 46.19 44.55 3cik s LEU 33 CO 0.26 0.06 0.96 -0.76 -1.32 0.00 0.00 176.35 175.56 3cik s LEU 34 N 1.01 3.94 0.74 -0.68 1.43 -1.26 -5.04 118.68 118.82 3cik s LEU 34 Ca 0.01 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 3cik s LEU 34 Cb -0.14 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.59 3cik s LEU 34 CO 0.01 -0.42 1.08 -2.16 0.23 0.00 0.00 176.35 175.09 3cik s PRO 35 N -3.14 2.53 0.90 1.29 0.04 -1.26 -5.01 135.00 130.36 3cik s PRO 35 Ca 0.62 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 3cik s PRO 35 Cb -0.11 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.64 3cik s PRO 35 CO 0.15 -1.42 1.12 -1.21 0.04 0.00 0.00 177.00 175.67 3cik s GLU 36 N -4.91 1.15 0.58 4.56 2.02 -1.26 -4.88 118.70 115.97 3cik s GLU 36 Ca 0.60 1.33 0.28 0.00 0.02 0.00 0.00 54.97 57.20 3cik s GLU 36 Cb -0.16 -1.76 1.64 0.00 0.10 0.00 0.00 34.13 33.95 3cik s GLU 36 CO 0.55 -2.47 2.13 -1.35 0.02 0.00 0.00 175.26 174.14 3cik h PRO 37 N -1.74 0.00 0.00 0.39 0.11 -1.95 -1.77 132.00 127.04 3cik h PRO 37 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cik h PRO 37 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cik h PRO 37 CO 0.46 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.91 3cik h SER 38 N 0.00 0.00 -0.01 -2.05 4.64 -1.98 -1.04 113.55 113.11 3cik h SER 38 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3cik h SER 38 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3cik h SER 38 CO -0.00 0.00 0.10 -0.29 -0.87 0.00 0.00 176.83 175.77 3cik h ILE 39 N 0.00 0.03 -0.67 0.95 6.09 -1.66 -2.11 117.51 120.16 3cik h ILE 39 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 3cik h ILE 39 Cb 0.01 0.90 -0.03 0.00 0.47 0.00 0.00 36.82 38.17 3cik h ILE 39 CO 0.00 0.00 0.38 -0.09 -3.07 0.00 0.00 178.15 175.37 3cik h ARG 40 N 0.00 0.91 -0.87 2.19 2.43 -1.42 0.97 114.38 118.59 3cik h ARG 40 Ca 0.00 -0.09 0.17 0.00 -0.81 0.00 0.00 59.98 59.25 3cik h ARG 40 Cb 0.20 -0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 3cik h ARG 40 CO -0.00 0.66 0.43 1.03 -1.51 0.00 0.00 179.97 180.58 3cik h SER 41 N 0.92 0.49 0.41 -3.80 0.87 -1.60 -0.35 113.55 110.49 3cik h SER 41 Ca 0.24 0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 60.60 3cik h SER 41 Cb 0.00 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 3cik h SER 41 CO -0.04 0.17 -1.76 0.58 -0.53 0.00 0.00 176.83 175.25 3cik h VAL 42 N 0.57 0.82 0.04 2.23 2.07 -1.57 -3.36 116.25 117.06 3cik h VAL 42 Ca 0.49 -2.63 -0.24 0.00 0.82 0.00 0.00 66.70 65.14 3cik h VAL 42 Cb 0.77 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 33.01 3cik h VAL 42 CO -0.41 0.62 -1.04 0.24 0.02 0.00 0.00 177.57 177.00 3cik h MET 43 N 0.02 0.40 -0.09 1.57 2.86 -0.48 -2.38 114.93 116.83 3cik h MET 43 Ca -0.31 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 56.84 3cik h MET 43 Cb 2.01 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 3cik h MET 43 CO 0.09 1.16 0.05 0.37 1.06 0.00 0.00 176.91 179.64 3cik h GLN 44 N 0.20 0.13 -0.71 1.72 4.15 -1.27 0.25 115.11 119.59 3cik h GLN 44 Ca -0.10 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.33 3cik h GLN 44 Cb 1.70 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.32 3cik h GLN 44 CO 0.18 0.17 0.44 0.87 -1.93 0.00 0.00 178.83 178.56 3cik h LYS 45 N 0.05 0.82 0.08 1.69 1.57 -1.70 0.27 116.57 119.35 3cik h LYS 45 Ca 0.03 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3cik h LYS 45 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3cik h LYS 45 CO -0.00 0.55 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.32 3cik h TYR 46 N 0.85 -0.46 -0.49 -1.35 3.20 -1.11 -0.31 116.97 117.29 3cik h TYR 46 Ca 0.29 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 3cik h TYR 46 Cb 0.04 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3cik h TYR 46 CO -0.04 -0.26 0.17 -0.07 -1.64 0.00 0.00 178.16 176.32 3cik h LEU 47 N -0.33 0.70 -0.18 2.82 3.38 -0.70 -3.10 115.31 117.91 3cik h LEU 47 Ca 0.03 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3cik h LEU 47 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3cik h LEU 47 CO -0.11 0.71 0.03 -0.33 0.09 0.00 0.00 178.44 178.82 3cik h GLU 48 N 0.66 0.09 -0.49 1.13 4.39 -0.27 -0.32 114.58 119.77 3cik h GLU 48 Ca 0.16 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.00 3cik h GLU 48 Cb 0.24 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3cik h GLU 48 CO -0.01 0.06 0.53 -0.44 -1.16 0.00 0.00 179.01 178.00 3cik h ASP 49 N 0.09 0.00 -0.61 1.42 3.32 -0.99 0.12 116.42 119.78 3cik h ASP 49 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3cik h ASP 49 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3cik h ASP 49 CO -0.11 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.95 3cik n ARG 50 N -3.67 3.28 -4.11 3.56 1.74 -0.23 -4.97 116.66 112.26 3cik n ARG 50 Ca 0.09 -2.71 -0.31 0.00 -0.77 0.00 0.00 57.85 54.16 3cik n ARG 50 Cb 0.73 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3cik n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cik n GLY 51 N 1.10 -0.31 0.90 -0.13 0.00 0.41 -4.89 105.19 102.26 3cik n GLY 51 Ca 0.23 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.48 3cik n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cik n GLU 52 N -4.41 2.55 -3.04 1.61 1.02 -0.59 -4.64 120.64 113.13 3cik n GLU 52 Ca -0.15 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.40 3cik n GLU 52 Cb 0.60 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3cik n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3cik n VAL 53 N 0.99 5.13 -4.14 2.62 0.31 -1.26 -4.49 118.33 117.49 3cik n VAL 53 Ca 0.16 -5.88 -0.16 0.00 -0.01 0.00 0.00 64.34 58.45 3cik n VAL 53 Cb 0.49 -2.10 -0.12 0.00 -0.91 0.00 0.00 33.84 31.21 3cik n VAL 53 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3cik s THR 54 N -2.72 0.87 0.29 2.52 -4.23 -1.26 -5.03 115.64 106.07 3cik s THR 54 Ca 0.32 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3cik s THR 54 Cb 0.05 -0.86 0.31 0.00 1.34 0.00 0.00 72.50 73.34 3cik s THR 54 CO 0.09 -0.26 1.65 0.15 -0.54 0.00 0.00 174.62 175.71 3cik h PHE 55 N 4.47 0.36 -0.11 3.99 3.57 -1.93 -1.81 116.94 125.49 3cik h PHE 55 Ca -0.38 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 3cik h PHE 55 Cb 1.19 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3cik h PHE 55 CO 0.62 -0.21 0.00 0.93 -2.23 0.00 0.00 178.31 177.43 3cik h GLU 56 N 0.21 0.19 -0.28 1.11 3.07 -1.97 -1.26 114.58 115.65 3cik h GLU 56 Ca 0.55 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.22 3cik h GLU 56 Cb 1.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3cik h GLU 56 CO -0.65 0.43 -0.37 0.87 -1.40 0.00 0.00 179.01 177.89 3cik h LYS 57 N -0.08 0.64 0.12 2.33 1.79 -1.66 -2.73 116.57 116.98 3cik h LYS 57 Ca 0.03 -0.31 -0.18 0.00 -2.18 0.00 0.00 60.65 58.01 3cik h LYS 57 Cb 0.34 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3cik h LYS 57 CO 0.00 0.91 -0.82 0.82 -1.08 0.00 0.00 179.45 179.29 3cik h ILE 58 N 0.53 1.47 -0.28 1.86 2.04 -1.40 -3.27 117.51 118.46 3cik h ILE 58 Ca 0.05 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.41 3cik h ILE 58 Cb 0.88 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 3cik h ILE 58 CO 0.08 0.70 0.11 0.15 0.00 0.00 0.00 178.15 179.18 3cik h PHE 59 N -0.45 0.37 -0.00 1.37 3.57 -1.28 -1.92 116.94 118.61 3cik h PHE 59 Ca -0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3cik h PHE 59 Cb 1.58 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.20 3cik h PHE 59 CO 0.19 0.30 -0.16 -1.13 -2.23 0.00 0.00 178.31 175.28 3cik n SER 60 N -4.42 0.36 -4.82 0.41 3.41 -1.03 -4.19 113.62 103.33 3cik n SER 60 Ca 0.01 -0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.00 3cik n SER 60 Cb 0.13 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3cik n SER 60 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cik s GLN 61 N -2.72 4.16 0.07 4.33 -0.21 -0.72 -4.98 119.66 119.59 3cik s GLN 61 Ca 0.21 0.70 -0.31 0.00 0.02 0.00 0.00 55.36 55.98 3cik s GLN 61 Cb 0.19 -3.17 -0.18 0.00 1.00 0.00 0.00 33.01 30.84 3cik s GLN 61 CO 0.54 0.61 1.65 -0.22 -2.12 0.00 0.00 175.29 175.74 3cik h LYS 62 N 4.34 -0.73 0.00 2.91 1.63 -1.85 0.29 116.57 123.15 3cik h LYS 62 Ca -0.49 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 3cik h LYS 62 Cb 1.21 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 3cik h LYS 62 CO 0.64 -0.49 -0.28 -0.07 -3.45 0.00 0.00 179.45 175.80 3cik h LEU 63 N -0.76 0.00 -0.53 5.20 3.38 -1.90 -1.22 115.31 119.48 3cik h LEU 63 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3cik h LEU 63 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3cik h LEU 63 CO 0.13 0.28 -0.09 1.23 0.09 0.00 0.00 178.44 180.08 3cik h GLY 64 N 1.13 1.07 0.70 0.83 0.00 -1.54 -2.61 103.07 102.65 3cik h GLY 64 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3cik h GLY 64 CO 0.04 0.78 -0.04 -1.82 0.00 0.00 0.00 176.54 175.50 3cik h TYR 65 N 0.86 -0.10 -0.97 5.60 3.20 0.30 -1.23 116.97 124.64 3cik h TYR 65 Ca 0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.13 3cik h TYR 65 Cb 0.65 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 3cik h TYR 65 CO 0.05 0.20 0.61 -0.07 -1.64 0.00 0.00 178.16 177.31 3cik h LEU 66 N -0.41 0.85 -0.31 2.82 3.38 -1.30 0.75 115.31 121.10 3cik h LEU 66 Ca -0.01 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 3cik h LEU 66 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3cik h LEU 66 CO 0.02 0.46 -0.68 -0.07 0.09 0.00 0.00 178.44 178.25 3cik h LEU 67 N 0.92 0.79 -0.79 1.67 3.38 -1.41 -2.67 115.31 117.20 3cik h LEU 67 Ca 0.48 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3cik h LEU 67 Cb 0.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3cik h LEU 67 CO -0.24 1.25 -0.17 0.15 0.09 0.00 0.00 178.44 179.52 3cik h PHE 68 N 0.49 0.82 -0.04 1.13 3.04 -0.33 -2.00 116.94 120.05 3cik h PHE 68 Ca -0.02 -0.17 -0.15 0.00 3.98 0.00 0.00 57.97 61.61 3cik h PHE 68 Cb 1.28 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 3cik h PHE 68 CO 0.07 0.85 -0.67 0.07 -2.02 0.00 0.00 178.31 176.60 3cik h ARG 69 N 0.65 0.17 -0.24 1.11 0.11 -0.92 -1.37 114.38 113.89 3cik h ARG 69 Ca 0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 3cik h ARG 69 Cb 0.65 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 3cik h ARG 69 CO 0.05 0.78 0.12 0.22 0.10 0.00 0.00 179.97 181.24 3cik h ASP 70 N 0.12 0.31 -0.15 0.08 -0.00 -1.27 0.79 116.42 116.30 3cik h ASP 70 Ca -0.01 -0.11 0.02 0.00 -0.00 0.00 0.00 57.03 56.93 3cik h ASP 70 Cb 1.21 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 40.44 3cik h ASP 70 CO 0.10 0.33 0.01 0.15 -0.00 0.00 0.00 179.24 179.83 3cik h PHE 71 N 0.27 0.02 -0.12 0.28 3.57 -1.20 -0.64 116.94 119.11 3cik h PHE 71 Ca 0.08 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3cik h PHE 71 Cb 0.09 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 3cik h PHE 71 CO -0.03 -0.00 -0.17 0.00 -2.23 0.00 0.00 178.31 175.89 3cik h LEU 73 N -0.08 0.00 0.00 0.00 3.38 0.64 -3.13 115.31 116.13 3cik h LEU 73 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cik h LEU 73 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3cik h LEU 73 CO 0.04 0.35 -0.37 0.59 0.09 0.00 0.00 178.44 179.14 3cik n ASN 74 N -3.67 1.48 0.00 -0.43 3.02 -0.25 -4.87 115.26 110.54 3cik n ASN 74 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3cik n ASN 74 Cb 0.45 1.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 3cik n ASN 74 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3cik n HIS 75 N -1.19 0.00 -3.82 3.10 8.25 0.30 -4.96 115.22 116.89 3cik n HIS 75 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3cik n HIS 75 Cb 0.02 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.98 3cik n HIS 75 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3cik s LEU 76 N -0.43 2.53 0.35 2.41 2.96 -0.92 -5.00 118.68 120.58 3cik s LEU 76 Ca 0.00 -1.50 0.05 0.00 -0.22 0.00 0.00 54.13 52.46 3cik s LEU 76 Cb 0.00 -1.01 0.64 0.00 0.50 0.00 0.00 46.19 46.32 3cik s LEU 76 CO 0.00 -0.36 1.90 -0.08 -1.32 0.00 0.00 176.35 176.49 3cik h GLU 77 N 8.01 0.52 0.00 1.98 4.57 -1.91 -2.28 114.58 125.47 3cik h GLU 77 Ca -0.13 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3cik h GLU 77 Cb 1.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3cik h GLU 77 CO 0.45 0.52 0.00 -0.85 -1.18 0.00 0.00 179.01 177.95 3cik n GLU 78 N -4.30 0.00 -0.01 1.92 0.28 -1.26 -3.23 120.64 114.05 3cik n GLU 78 Ca 0.02 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.23 3cik n GLU 78 Cb 0.22 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.47 3cik n GLU 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3cik n ALA 79 N -1.50 2.65 -0.26 -1.84 0.00 -0.87 -4.71 120.51 113.98 3cik n ALA 79 Ca 0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 3cik n ALA 79 Cb 0.25 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 3cik n ALA 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cik h ARG 80 N 0.00 -0.03 0.00 0.00 2.43 -1.46 -2.31 114.38 113.01 3cik h ARG 80 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3cik h ARG 80 Cb 0.71 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3cik h ARG 80 CO 0.00 -0.02 -0.08 -1.00 -1.51 0.00 0.00 179.97 177.36 3cik h PRO 81 N -0.03 0.00 0.22 0.20 0.13 -1.84 -0.29 132.00 130.39 3cik h PRO 81 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3cik h PRO 81 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 3cik h PRO 81 CO -0.61 0.08 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.06 3cik h LEU 82 N 0.00 -0.25 -0.93 1.56 3.38 -1.73 -0.32 115.31 117.01 3cik h LEU 82 Ca -0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3cik h LEU 82 Cb 0.15 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3cik h LEU 82 CO 0.01 -0.10 0.02 0.58 0.09 0.00 0.00 178.44 179.04 3cik h VAL 83 N -0.39 1.24 0.12 1.22 2.07 -1.13 0.17 116.25 119.56 3cik h VAL 83 Ca -0.03 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 3cik h VAL 83 Cb 0.30 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3cik h VAL 83 CO 0.05 0.35 -0.06 -0.33 0.02 0.00 0.00 177.57 177.60 3cik h GLU 84 N 0.76 -0.16 -0.56 1.57 5.08 -0.94 0.05 114.58 120.38 3cik h GLU 84 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3cik h GLU 84 Cb 0.42 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3cik h GLU 84 CO 0.02 -0.09 0.36 0.35 -1.00 0.00 0.00 179.01 178.65 3cik h PHE 85 N -0.18 0.72 -0.57 4.33 3.57 -0.83 -0.38 116.94 123.59 3cik h PHE 85 Ca -0.02 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3cik h PHE 85 Cb 0.14 -0.24 -0.10 0.00 2.79 0.00 0.00 35.95 38.54 3cik h PHE 85 CO -0.07 0.46 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.53 3cik h TYR 86 N 0.76 -0.10 0.00 0.41 3.20 -0.38 -0.16 116.97 120.69 3cik h TYR 86 Ca 0.20 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3cik h TYR 86 Cb -0.07 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3cik h TYR 86 CO -0.03 -0.17 -0.44 0.93 -1.64 0.00 0.00 178.16 176.81 3cik h GLU 87 N 0.09 0.00 -0.35 1.82 5.08 -0.33 -1.90 114.58 118.98 3cik h GLU 87 Ca 0.29 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 3cik h GLU 87 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3cik h GLU 87 CO -0.51 0.44 -0.42 1.49 -1.00 0.00 0.00 179.01 179.01 3cik h GLU 88 N 0.00 0.90 -0.22 2.33 4.57 -0.26 -2.51 114.58 119.39 3cik h GLU 88 Ca -0.00 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 3cik h GLU 88 Cb 0.94 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3cik h GLU 88 CO 0.06 1.15 -0.10 0.82 -1.18 0.00 0.00 179.01 179.76 3cik h ILE 89 N 0.71 1.19 -0.16 2.32 2.04 -0.54 -2.60 117.51 120.47 3cik h ILE 89 Ca 0.05 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 3cik h ILE 89 Cb 1.02 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3cik h ILE 89 CO 0.10 0.26 -0.05 0.11 0.00 0.00 0.00 178.15 178.57 3cik h LYS 90 N 0.33 0.31 -0.82 2.37 1.79 -1.27 -1.79 116.57 117.50 3cik h LYS 90 Ca 0.07 -0.13 0.19 0.00 -2.18 0.00 0.00 60.65 58.60 3cik h LYS 90 Cb 0.38 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 30.90 3cik h LYS 90 CO 0.02 0.61 0.27 0.87 -1.08 0.00 0.00 179.45 180.14 3cik h LYS 91 N 0.00 0.31 -0.69 3.15 1.57 -1.31 -1.65 116.57 117.95 3cik h LYS 91 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3cik h LYS 91 Cb 0.50 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3cik h LYS 91 CO 0.02 0.20 0.31 -0.92 -0.57 0.00 0.00 179.45 178.49 3cik h TYR 92 N 0.32 1.02 -0.32 -1.35 3.20 -1.08 -2.75 116.97 116.01 3cik h TYR 92 Ca 0.49 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.36 3cik h TYR 92 Cb 0.89 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3cik h TYR 92 CO -0.22 0.78 0.22 0.93 -1.64 0.00 0.00 178.16 178.23 3cik h GLU 93 N 0.97 0.14 -0.01 1.82 5.08 -0.43 -2.66 114.58 119.50 3cik h GLU 93 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3cik h GLU 93 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cik h GLU 93 CO -0.02 0.09 -0.15 1.63 -1.00 0.00 0.00 179.01 179.56 3cik n LYS 94 N -4.47 1.08 -2.25 2.33 5.02 -1.04 -4.89 118.16 113.94 3cik n LYS 94 Ca 0.04 -0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 3cik n LYS 94 Cb 0.29 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3cik n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cik s LEU 95 N -2.33 4.40 0.09 -0.35 1.43 -1.00 -4.95 118.68 115.96 3cik s LEU 95 Ca 0.30 2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 55.54 3cik s LEU 95 Cb 0.20 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 3cik s LEU 95 CO 0.45 -0.53 1.44 -0.33 0.23 0.00 0.00 176.35 177.61 3cik h GLU 96 N 5.91 0.58 -6.13 1.70 5.08 -1.92 -3.47 114.58 116.34 3cik h GLU 96 Ca -0.44 -0.27 -0.57 0.00 -1.00 0.00 0.00 59.36 57.08 3cik h GLU 96 Cb 1.21 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 3cik h GLU 96 CO 0.80 0.84 -0.78 0.95 -1.00 0.00 0.00 179.01 179.83 3cik s THR 97 N -4.53 2.17 0.42 1.13 -4.23 -1.26 -5.04 115.64 104.30 3cik s THR 97 Ca -0.13 -2.17 0.09 0.00 -1.18 0.00 0.00 61.69 58.30 3cik s THR 97 Cb 0.08 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 72.05 3cik s THR 97 CO 0.79 -0.35 2.04 -0.08 -0.54 0.00 0.00 174.62 176.48 3cik h GLU 98 N 2.76 0.38 -0.60 3.99 4.81 -1.94 -1.97 114.58 122.02 3cik h GLU 98 Ca -0.42 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 3cik h GLU 98 Cb 1.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3cik h GLU 98 CO 0.55 0.30 0.05 0.93 -0.73 0.00 0.00 179.01 180.12 3cik h GLU 99 N 0.39 1.00 -0.32 1.92 3.07 -1.98 -1.55 114.58 117.11 3cik h GLU 99 Ca 0.10 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.63 3cik h GLU 99 Cb 0.05 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3cik h GLU 99 CO -0.01 0.95 0.01 0.93 -1.40 0.00 0.00 179.01 179.49 3cik h GLU 100 N 0.93 0.56 -0.41 2.33 5.08 -1.79 -3.06 114.58 118.22 3cik h GLU 100 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3cik h GLU 100 Cb 0.47 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3cik h GLU 100 CO 0.02 0.68 -0.08 0.00 -1.00 0.00 0.00 179.01 178.63 3cik h ARG 101 N 0.36 0.70 -0.85 2.33 3.08 -1.35 -1.59 114.38 117.05 3cik h ARG 101 Ca 0.09 -0.21 0.08 0.00 0.07 0.00 0.00 59.98 60.01 3cik h ARG 101 Cb 0.42 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 3cik h ARG 101 CO 0.01 0.77 0.52 0.28 -1.07 0.00 0.00 179.97 180.48 3cik h VAL 102 N 0.64 0.99 0.50 2.04 2.07 -1.29 0.44 116.25 121.65 3cik h VAL 102 Ca 0.12 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3cik h VAL 102 Cb 0.51 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3cik h VAL 102 CO 0.03 0.17 -0.24 0.00 0.02 0.00 0.00 177.57 177.54 3cik h ALA 103 N 1.43 -1.16 -0.15 1.67 0.00 -1.22 -3.17 119.26 116.66 3cik h ALA 103 Ca 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3cik h ALA 103 Cb 0.25 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3cik h ALA 103 CO -0.20 -1.11 0.05 0.00 0.00 0.00 0.00 179.25 177.99 3cik h ARG 104 N -0.69 0.20 -0.45 0.00 2.47 -1.26 -1.29 114.38 113.36 3cik h ARG 104 Ca -0.07 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.71 3cik h ARG 104 Cb 0.52 -0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.70 3cik h ARG 104 CO 0.11 0.19 -0.40 1.03 0.56 0.00 0.00 179.97 181.46 3cik h SER 105 N 0.21 -1.35 0.00 7.04 0.87 -0.09 0.48 113.55 120.71 3cik h SER 105 Ca 0.05 0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 3cik h SER 105 Cb 0.07 0.61 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3cik h SER 105 CO -0.00 -0.35 -0.46 -0.09 -0.53 0.00 0.00 176.83 175.40 3cik h ARG 106 N -0.28 0.31 -0.92 2.24 2.43 -1.47 -2.95 114.38 113.73 3cik h ARG 106 Ca 0.16 -0.33 0.27 0.00 -0.81 0.00 0.00 59.98 59.26 3cik h ARG 106 Cb 0.57 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.06 3cik h ARG 106 CO -0.60 1.03 0.28 1.49 -1.51 0.00 0.00 179.97 180.66 3cik h GLU 107 N -0.28 0.17 -0.20 0.20 4.81 -0.92 -0.00 114.58 118.35 3cik h GLU 107 Ca -0.06 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3cik h GLU 107 Cb 1.20 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3cik h GLU 107 CO 0.09 0.11 -0.11 0.82 -0.73 0.00 0.00 179.01 179.19 3cik h ILE 108 N 0.18 1.31 0.00 2.32 2.04 -0.08 -3.23 117.51 120.04 3cik h ILE 108 Ca 0.61 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3cik h ILE 108 Cb 1.31 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3cik h ILE 108 CO -0.70 0.36 0.00 0.33 0.00 0.00 0.00 178.15 178.14 3cik n PHE 109 N -4.54 0.00 0.01 1.37 7.35 -0.02 -3.78 117.46 117.86 3cik n PHE 109 Ca -0.05 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 3cik n PHE 109 Cb 0.34 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.07 3cik n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3cik n ASP 110 N 0.51 0.25 0.19 -2.13 9.92 -1.19 -4.85 116.55 119.24 3cik n ASP 110 Ca 0.00 0.04 -0.08 0.00 -0.53 0.00 0.00 54.79 54.22 3cik n ASP 110 Cb 0.15 -0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 3cik n ASP 110 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 3cik h SER 111 N 0.00 -0.44 0.02 -2.24 0.87 -1.72 -3.12 113.55 106.92 3cik h SER 111 Ca 0.00 0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.35 3cik h SER 111 Cb 0.00 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3cik h SER 111 CO 0.00 -0.14 -0.83 1.88 -0.53 0.00 0.00 176.83 177.22 3cik h TYR 112 N -0.87 0.90 -0.84 2.24 -1.99 -1.93 -3.31 116.97 111.16 3cik h TYR 112 Ca -0.05 -0.42 0.11 0.00 2.00 0.00 0.00 58.73 60.36 3cik h TYR 112 Cb 0.40 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 38.94 3cik h TYR 112 CO 0.03 1.24 0.55 0.82 -0.00 0.00 0.00 178.16 180.80 3cik h ILE 113 N 0.43 0.92 -0.00 -2.88 1.08 -1.75 0.37 117.51 115.67 3cik h ILE 113 Ca -0.06 -0.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.99 3cik h ILE 113 Cb 1.45 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3cik h ILE 113 CO 0.16 0.14 -0.74 0.24 -0.69 0.00 0.00 178.15 177.26 3cik h MET 114 N 0.75 0.02 -0.50 2.37 2.86 -1.63 -2.09 114.93 116.71 3cik h MET 114 Ca 0.40 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.92 3cik h MET 114 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3cik h MET 114 CO -0.17 0.75 -0.09 -0.22 1.06 0.00 0.00 176.91 178.24 3cik h LYS 115 N 0.01 0.94 -0.60 1.72 3.64 -1.26 -3.07 116.57 117.95 3cik h LYS 115 Ca -0.01 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 3cik h LYS 115 Cb 1.30 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3cik h LYS 115 CO 0.10 1.00 0.05 0.93 -2.27 0.00 0.00 179.45 179.26 3cik h GLU 116 N 0.79 1.03 0.00 1.90 4.39 -0.75 -0.95 114.58 120.99 3cik h GLU 116 Ca 0.13 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3cik h GLU 116 Cb 0.64 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3cik h GLU 116 CO 0.04 0.99 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.51 3cik h LEU 117 N 0.93 0.00 0.00 1.33 3.38 -1.49 -3.22 115.31 116.24 3cik h LEU 117 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3cik h LEU 117 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3cik h LEU 117 CO 0.02 0.00 -0.88 0.18 0.09 0.00 0.00 178.44 177.86 3cik n LEU 118 N -2.91 0.84 -4.69 1.67 4.77 -1.16 -4.76 117.00 110.76 3cik n LEU 118 Ca 0.03 -0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 3cik n LEU 118 Cb 0.53 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3cik n LEU 118 CO 0.36 0.21 0.61 0.00 -1.33 0.00 0.00 177.39 177.23 3cik s ALA 119 N -3.01 3.39 0.75 -1.18 0.00 -0.36 -5.04 121.76 116.30 3cik s ALA 119 Ca 0.08 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 3cik s ALA 119 Cb 0.16 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3cik s ALA 119 CO 0.82 -0.44 1.18 0.00 0.00 0.00 0.00 175.76 177.32 3cik n SER 121 N -2.91 0.00 -0.69 0.00 2.88 -1.26 -4.59 113.62 107.04 3cik n SER 121 Ca 0.13 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.78 3cik n SER 121 Cb 0.51 -1.08 0.04 0.00 -0.75 0.00 0.00 64.21 62.92 3cik n SER 121 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3cik n HIS 122 N -1.71 0.00 -2.03 0.66 -0.00 -1.09 -4.97 115.22 106.07 3cik n HIS 122 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 3cik n HIS 122 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3cik n HIS 122 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3cik s PRO 123 N -2.27 3.83 0.64 -0.41 0.04 -1.18 -4.62 135.00 131.02 3cik s PRO 123 Ca 0.22 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 3cik s PRO 123 Cb 0.19 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3cik s PRO 123 CO 0.46 -0.60 1.07 -0.06 0.04 0.00 0.00 177.00 177.91 3cik s PHE 124 N -1.30 2.88 0.76 0.56 0.40 -1.26 -5.03 117.98 115.00 3cik s PHE 124 Ca 0.60 1.51 -0.13 0.00 -0.60 0.00 0.00 56.93 58.30 3cik s PHE 124 Cb -0.37 -3.03 0.06 0.00 0.51 0.00 0.00 43.02 40.18 3cik s PHE 124 CO 0.47 -1.33 1.16 -1.54 0.70 0.00 0.00 175.22 174.69 3cik s SER 125 N -2.93 4.11 0.16 1.36 1.04 -1.26 -4.88 113.70 111.30 3cik s SER 125 Ca 0.63 2.20 -0.08 0.00 0.48 0.00 0.00 55.95 59.19 3cik s SER 125 Cb -0.17 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.40 3cik s SER 125 CO 0.42 -2.31 1.47 0.07 0.98 0.00 0.00 173.24 173.86 3cik h LYS 126 N -0.69 0.75 -0.61 4.02 2.10 -1.98 -1.19 116.57 118.97 3cik h LYS 126 Ca -0.46 -0.45 0.13 0.00 -2.00 0.00 0.00 60.65 57.86 3cik h LYS 126 Cb 1.27 0.05 -0.10 0.00 -0.90 0.00 0.00 32.23 32.54 3cik h LYS 126 CO 0.49 1.08 -0.01 1.03 -2.00 0.00 0.00 179.45 180.03 3cik h SER 127 N 0.58 -0.30 -0.33 7.07 0.87 -1.99 0.89 113.55 120.35 3cik h SER 127 Ca 0.02 0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3cik h SER 127 Cb 1.09 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 3cik h SER 127 CO 0.11 -0.12 -0.16 0.00 -0.53 0.00 0.00 176.83 176.12 3cik h ALA 128 N 1.56 0.46 0.58 6.23 0.00 -1.91 -2.58 119.26 123.61 3cik h ALA 128 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3cik h ALA 128 Cb 0.51 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3cik h ALA 128 CO -0.53 0.37 -0.28 1.15 0.00 0.00 0.00 179.25 179.96 3cik h THR 129 N 0.45 0.00 -0.93 0.00 2.02 0.06 -2.60 112.91 111.92 3cik h THR 129 Ca 0.07 -0.21 0.16 0.00 0.77 0.00 0.00 66.41 67.20 3cik h THR 129 Cb 0.70 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.95 3cik h THR 129 CO 0.05 0.00 -0.32 1.21 0.37 0.00 0.00 175.52 176.83 3cik n GLU 130 N -4.69 -0.18 -0.10 6.66 2.13 0.30 -0.10 120.64 124.66 3cik n GLU 130 Ca -0.10 1.43 -0.07 0.00 0.66 0.00 0.00 57.16 59.08 3cik n GLU 130 Cb 0.31 -2.13 -0.01 0.00 0.27 0.00 0.00 31.44 29.88 3cik n GLU 130 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3cik h HIS 131 N 0.00 -0.80 -0.48 4.31 2.76 -1.41 0.71 115.15 120.24 3cik h HIS 131 Ca 0.36 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.55 3cik h HIS 131 Cb 0.59 0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 3cik h HIS 131 CO -0.78 -0.36 0.19 0.28 -1.30 0.00 0.00 177.93 175.96 3cik h VAL 132 N -0.24 1.21 -0.09 5.26 2.07 -0.10 -2.73 116.25 121.62 3cik h VAL 132 Ca 0.17 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 3cik h VAL 132 Cb 0.51 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3cik h VAL 132 CO -0.50 0.24 -0.25 -0.61 0.02 0.00 0.00 177.57 176.48 3cik h GLN 133 N 0.63 0.16 -0.42 1.57 4.15 -0.49 -0.68 115.11 120.03 3cik h GLN 133 Ca 0.16 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3cik h GLN 133 Cb 0.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3cik h GLN 133 CO -0.01 0.41 0.03 0.78 -1.93 0.00 0.00 178.83 178.10 3cik h GLY 134 N 0.91 0.70 0.21 2.39 0.00 -0.56 0.89 103.07 107.61 3cik h GLY 134 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3cik h GLY 134 CO 0.04 0.40 -0.09 0.45 0.00 0.00 0.00 176.54 177.34 3cik h HIS 135 N 0.62 -0.22 -0.63 5.60 3.86 -1.38 -3.27 115.15 119.73 3cik h HIS 135 Ca 0.13 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.45 3cik h HIS 135 Cb 0.35 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 3cik h HIS 135 CO 0.02 -0.03 0.17 1.25 0.86 0.00 0.00 177.93 180.20 3cik h LEU 136 N -1.04 0.09 -1.79 2.43 6.46 -1.02 0.14 115.31 120.57 3cik h LEU 136 Ca -0.02 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3cik h LEU 136 Cb 0.29 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3cik h LEU 136 CO 0.04 0.05 0.00 1.23 -0.62 0.00 0.00 178.44 179.14 3cik h GLY 137 N 0.31 0.00 -3.45 3.75 0.00 0.64 -0.89 103.07 103.43 3cik h GLY 137 Ca 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 3cik h GLY 137 CO -0.38 0.00 0.07 0.28 0.00 0.00 0.00 176.54 176.51 3cik n LYS 138 N -3.04 4.46 -1.28 4.80 5.02 0.30 -4.95 118.16 123.47 3cik n LYS 138 Ca -0.00 -3.14 -0.11 0.00 -2.02 0.00 0.00 58.31 53.04 3cik n LYS 138 Cb 0.24 -2.23 -0.05 0.00 -0.02 0.00 0.00 35.03 32.98 3cik n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cik n LYS 139 N 0.33 -1.65 -3.00 1.97 5.02 -0.34 -4.95 118.16 115.54 3cik n LYS 139 Ca 0.31 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 57.03 3cik n LYS 139 Cb 1.23 -5.17 -0.05 0.00 -0.02 0.00 0.00 35.03 31.02 3cik n LYS 139 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3cik s GLN 140 N -2.86 4.14 -0.44 1.97 -0.21 -0.11 -4.95 119.66 117.19 3cik s GLN 140 Ca 0.00 0.73 0.10 0.00 0.02 0.00 0.00 55.36 56.21 3cik s GLN 140 Cb 0.00 -3.65 0.37 0.00 1.00 0.00 0.00 33.01 30.73 3cik s GLN 140 CO 0.00 -0.47 0.89 1.33 -2.12 0.00 0.00 175.29 174.92 3cik n VAL 141 N 5.24 1.43 -0.87 1.09 0.24 -1.26 -3.56 118.33 120.63 3cik n VAL 141 Ca 0.02 -4.71 -0.29 0.00 -2.04 0.00 0.00 64.34 57.32 3cik n VAL 141 Cb 0.48 -0.62 0.19 0.00 -1.47 0.00 0.00 33.84 32.43 3cik n VAL 141 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3cik s PRO 142 N -3.04 0.28 0.28 7.34 0.04 -1.26 -4.81 135.00 133.84 3cik s PRO 142 Ca 0.42 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 3cik s PRO 142 Cb 0.35 -1.69 0.40 0.00 0.04 0.00 0.00 34.50 33.61 3cik s PRO 142 CO -0.10 -2.93 1.85 -1.35 0.04 0.00 0.00 177.00 174.51 3cik h PRO 143 N -2.05 0.88 0.00 0.56 0.11 -1.92 -2.33 132.00 127.25 3cik h PRO 143 Ca -0.54 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3cik h PRO 143 Cb 1.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3cik h PRO 143 CO 0.51 0.75 0.00 -0.40 -0.21 0.00 0.00 178.00 178.65 3cik n ASP 144 N -4.30 0.00 -0.31 -2.05 5.75 -1.26 -4.28 116.55 110.09 3cik n ASP 144 Ca 0.05 -1.37 0.09 0.00 -0.01 0.00 0.00 54.79 53.55 3cik n ASP 144 Cb 0.19 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.49 3cik n ASP 144 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3cik h LEU 145 N 0.00 -0.51 -1.83 -2.12 5.85 -1.77 0.28 115.31 115.21 3cik h LEU 145 Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3cik h LEU 145 Cb 0.00 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3cik h LEU 145 CO 0.00 -0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.31 3cik n PHE 146 N -5.46 0.70 -0.19 1.25 3.72 -1.26 -4.51 117.46 111.70 3cik n PHE 146 Ca 0.18 -0.33 -0.04 0.00 -0.05 0.00 0.00 57.45 57.21 3cik n PHE 146 Cb 0.60 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.17 3cik n PHE 146 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3cik h GLN 147 N 2.75 0.61 -0.84 -1.08 5.75 -1.23 -1.94 115.11 119.12 3cik h GLN 147 Ca 0.00 -0.04 0.19 0.00 -0.15 0.00 0.00 58.65 58.65 3cik h GLN 147 Cb 0.71 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 3cik h GLN 147 CO 0.03 0.40 0.56 -1.35 -2.65 0.00 0.00 178.83 175.83 3cik h PRO 148 N 0.63 0.35 -0.41 -2.39 0.11 -1.80 0.38 132.00 128.86 3cik h PRO 148 Ca 0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 3cik h PRO 148 Cb 0.10 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3cik h PRO 148 CO -0.14 0.23 0.13 1.88 -0.21 0.00 0.00 178.00 179.90 3cik h TYR 149 N 0.36 0.66 -0.44 0.65 0.99 -1.69 -2.81 116.97 114.70 3cik h TYR 149 Ca 0.43 -0.06 0.09 0.00 2.00 0.00 0.00 58.73 61.18 3cik h TYR 149 Cb 1.12 -0.19 -0.08 0.00 1.00 0.00 0.00 36.73 38.57 3cik h TYR 149 CO -0.00 0.61 -0.08 0.82 -0.00 0.00 0.00 178.16 179.50 3cik h ILE 150 N 0.53 0.59 -0.07 -2.88 1.08 -0.15 0.26 117.51 116.87 3cik h ILE 150 Ca 0.13 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 3cik h ILE 150 Cb 0.25 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3cik h ILE 150 CO -0.01 0.00 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.02 3cik h GLU 151 N 0.02 -0.15 -0.13 2.37 5.08 -1.37 -0.11 114.58 120.29 3cik h GLU 151 Ca 0.21 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3cik h GLU 151 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3cik h GLU 151 CO -0.43 -0.10 -0.20 0.93 -1.00 0.00 0.00 179.01 178.20 3cik h GLU 152 N -0.16 0.21 -0.29 2.33 5.08 -1.16 0.71 114.58 121.30 3cik h GLU 152 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3cik h GLU 152 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3cik h GLU 152 CO -0.16 0.42 0.14 0.82 -1.00 0.00 0.00 179.01 179.22 3cik h ILE 153 N 0.20 1.16 -0.86 3.13 2.04 0.04 -1.65 117.51 121.56 3cik h ILE 153 Ca 0.04 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3cik h ILE 153 Cb 0.48 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3cik h ILE 153 CO 0.03 0.16 0.45 0.00 0.00 0.00 0.00 178.15 178.79 3cik h GLN 155 N 1.21 0.85 0.00 0.00 5.75 -0.40 -1.98 115.11 120.54 3cik h GLN 155 Ca 0.30 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3cik h GLN 155 Cb 0.07 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.43 3cik h GLN 155 CO -0.04 0.56 -0.23 0.09 -2.65 0.00 0.00 178.83 176.55 3cik n ASN 156 N -4.69 0.28 0.06 -0.69 5.03 -0.66 -3.51 115.26 111.08 3cik n ASN 156 Ca 0.13 0.19 0.11 0.00 0.87 0.00 0.00 54.58 55.88 3cik n ASN 156 Cb 0.22 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 3cik n ASN 156 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3cik n LEU 157 N -1.58 0.63 -0.08 3.41 4.77 -0.37 -4.46 117.00 119.32 3cik n LEU 157 Ca 0.06 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3cik n LEU 157 Cb 0.35 -0.07 0.24 0.00 -2.33 0.00 0.00 43.42 41.61 3cik n LEU 157 CO 0.31 -0.09 0.45 -2.11 -1.33 0.00 0.00 177.39 174.62 3cik n ARG 158 N -2.39 0.25 0.00 3.23 1.85 -0.80 -2.47 116.66 116.33 3cik n ARG 158 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 3cik n ARG 158 Cb 0.52 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3cik n ARG 158 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cik n GLY 159 N 1.46 0.32 0.37 2.89 0.00 -1.26 -4.57 105.19 104.40 3cik n GLY 159 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3cik n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cik h ASP 160 N 0.00 -1.20 -0.47 1.61 5.19 -1.87 -1.38 116.42 118.30 3cik h ASP 160 Ca 0.00 0.17 0.09 0.00 -0.62 0.00 0.00 57.03 56.67 3cik h ASP 160 Cb 0.00 0.50 -0.10 0.00 0.18 0.00 0.00 39.33 39.91 3cik h ASP 160 CO 0.00 -0.39 -0.27 0.58 -3.12 0.00 0.00 179.24 176.03 3cik h VAL 161 N -0.44 0.28 -0.81 -1.35 2.07 -1.81 0.13 116.25 114.32 3cik h VAL 161 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3cik h VAL 161 Cb 0.59 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3cik h VAL 161 CO -0.40 0.00 0.44 0.15 0.02 0.00 0.00 177.57 177.78 3cik h PHE 162 N -0.17 1.12 0.00 1.57 3.57 -1.15 0.14 116.94 122.01 3cik h PHE 162 Ca 0.21 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3cik h PHE 162 Cb 0.51 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3cik h PHE 162 CO -0.53 0.78 -0.20 1.96 -2.23 0.00 0.00 178.31 178.09 3cik h GLN 163 N 1.13 0.00 0.13 1.11 1.08 -0.39 -0.01 115.11 118.15 3cik h GLN 163 Ca 0.29 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.21 3cik h GLN 163 Cb 0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3cik h GLN 163 CO -0.05 0.20 -1.23 0.87 -0.95 0.00 0.00 178.83 177.67 3cik h LYS 164 N 0.00 0.36 -0.24 1.46 1.57 0.35 -2.84 116.57 117.24 3cik h LYS 164 Ca -0.00 -0.57 0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3cik h LYS 164 Cb 0.43 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 3cik h LYS 164 CO 0.03 1.25 -0.07 0.35 -0.57 0.00 0.00 179.45 180.43 3cik h PHE 165 N 0.13 -0.16 -0.48 -1.35 3.57 -0.10 -1.38 116.94 117.16 3cik h PHE 165 Ca -0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.39 3cik h PHE 165 Cb 1.94 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.76 3cik h PHE 165 CO 0.08 -0.12 0.30 0.82 -2.23 0.00 0.00 178.31 177.16 3cik h ILE 166 N -0.02 1.09 0.00 1.41 1.08 -1.01 -0.06 117.51 120.01 3cik h ILE 166 Ca 0.12 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3cik h ILE 166 Cb 0.20 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 3cik h ILE 166 CO -0.26 0.11 -0.07 -0.33 -0.69 0.00 0.00 178.15 176.92 3cik h GLU 167 N 0.62 0.00 -7.47 2.37 5.08 -1.25 -3.43 114.58 110.50 3cik h GLU 167 Ca 0.18 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.06 3cik h GLU 167 Cb -0.03 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.32 3cik h GLU 167 CO -0.06 0.07 0.37 -1.54 -1.00 0.00 0.00 179.01 176.85 3cik s SER 168 N -6.79 4.79 0.31 1.42 1.04 -0.03 -4.96 113.70 109.48 3cik s SER 168 Ca -0.04 1.15 0.26 0.00 0.48 0.00 0.00 55.95 57.80 3cik s SER 168 Cb 0.16 -1.87 0.92 0.00 0.10 0.00 0.00 66.02 65.33 3cik s SER 168 CO 0.65 -1.76 1.77 -2.24 0.98 0.00 0.00 173.24 172.63 3cik h ASP 169 N -0.95 0.00 0.56 7.02 3.04 -1.87 -2.19 116.42 122.03 3cik h ASP 169 Ca -0.46 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.30 3cik h ASP 169 Cb 1.27 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.56 3cik h ASP 169 CO 0.62 0.00 -0.14 0.11 -2.04 0.00 0.00 179.24 177.79 3cik h LYS 170 N 0.00 0.00 0.20 4.15 1.79 -1.93 0.13 116.57 120.91 3cik h LYS 170 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 3cik h LYS 170 Cb 0.58 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.25 3cik h LYS 170 CO 0.00 0.14 -1.40 0.35 -1.08 0.00 0.00 179.45 177.46 3cik h PHE 171 N 0.00 0.77 -0.74 -1.35 3.57 -1.52 -2.50 116.94 115.17 3cik h PHE 171 Ca -0.00 -0.56 0.15 0.00 3.53 0.00 0.00 57.97 61.09 3cik h PHE 171 Cb 0.46 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.07 3cik h PHE 171 CO 0.00 1.45 0.23 1.15 -2.23 0.00 0.00 178.31 178.92 3cik h THR 172 N 0.12 0.57 -0.27 4.41 2.02 -1.35 -0.13 112.91 118.27 3cik h THR 172 Ca -0.21 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 3cik h THR 172 Cb 2.09 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3cik h THR 172 CO 0.24 0.06 -0.15 -0.09 0.37 0.00 0.00 175.52 175.95 3cik h ARG 173 N 0.34 0.47 -0.40 6.66 9.65 -0.74 -1.37 114.38 129.00 3cik h ARG 173 Ca 0.42 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 59.11 3cik h ARG 173 Cb 0.69 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 3cik h ARG 173 CO -0.46 0.62 0.08 0.35 2.80 0.00 0.00 179.97 183.35 3cik h PHE 174 N 0.44 0.68 -0.98 2.20 3.04 -0.70 -1.95 116.94 119.68 3cik h PHE 174 Ca 0.08 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 61.95 3cik h PHE 174 Cb 0.52 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.79 3cik h PHE 174 CO 0.02 0.67 0.65 0.00 -2.02 0.00 0.00 178.31 177.62 3cik h GLN 176 N 1.31 0.75 -0.33 0.00 4.20 -0.89 -0.83 115.11 119.31 3cik h GLN 176 Ca 0.36 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.82 3cik h GLN 176 Cb -0.12 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 3cik h GLN 176 CO -0.09 0.57 -0.47 -1.49 -0.67 0.00 0.00 178.83 176.69 3cik h TRP 177 N 0.72 1.09 -0.46 2.96 4.06 -0.93 -2.98 115.95 120.41 3cik h TRP 177 Ca 0.19 -0.36 -0.06 0.00 2.06 0.00 0.00 58.89 60.72 3cik h TRP 177 Cb 0.04 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 3cik h TRP 177 CO -0.02 1.18 0.05 -0.22 -3.56 0.00 0.00 178.44 175.88 3cik h LYS 178 N 0.70 0.72 -0.50 0.49 1.63 -0.15 -1.65 116.57 117.81 3cik h LYS 178 Ca 0.04 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.56 3cik h LYS 178 Cb 1.07 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 3cik h LYS 178 CO 0.11 0.70 -0.12 -0.97 -3.45 0.00 0.00 179.45 175.71 3cik h ASN 179 N 0.69 0.94 -0.38 4.20 -0.73 -1.12 -1.53 115.58 117.66 3cik h ASN 179 Ca 0.15 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 58.01 3cik h ASN 179 Cb 0.35 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3cik h ASN 179 CO 0.01 1.07 0.25 0.58 -0.37 0.00 0.00 177.43 178.97 3cik h VAL 180 N 0.84 1.10 -0.17 2.57 2.07 -1.27 -2.87 116.25 118.52 3cik h VAL 180 Ca 0.13 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3cik h VAL 180 Cb 0.67 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3cik h VAL 180 CO 0.05 0.10 -0.28 -0.08 0.02 0.00 0.00 177.57 177.37 3cik h GLU 181 N 0.51 -0.32 -0.08 1.57 4.81 -0.87 -1.90 114.58 118.30 3cik h GLU 181 Ca 0.14 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3cik h GLU 181 Cb -0.05 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3cik h GLU 181 CO -0.03 -0.22 0.00 1.28 -0.73 0.00 0.00 179.01 179.32 3cik n LEU 182 N -5.39 0.08 -0.63 1.64 4.77 -0.62 -3.13 117.00 113.71 3cik n LEU 182 Ca -0.02 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 55.97 3cik n LEU 182 Cb 0.31 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3cik n LEU 182 CO 0.15 0.02 0.33 -3.20 -1.33 0.00 0.00 177.39 173.36 3cik n ASN 183 N -0.46 1.41 -4.65 -1.43 5.15 -0.72 -4.34 115.26 110.22 3cik n ASN 183 Ca 0.00 -2.91 -0.43 0.00 -0.60 0.00 0.00 54.58 50.65 3cik n ASN 183 Cb 0.02 -0.39 -0.02 0.00 -0.53 0.00 0.00 39.78 38.86 3cik n ASN 183 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3cik s ILE 184 N -1.82 4.12 -0.35 -1.44 1.01 -1.19 -4.95 121.20 116.60 3cik s ILE 184 Ca 0.28 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.27 3cik s ILE 184 Cb 0.28 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.90 3cik s ILE 184 CO -0.05 -0.22 0.12 -1.00 0.00 0.00 0.00 174.94 173.78 3cik s HIS 185 N 3.92 2.26 0.29 3.97 3.76 -1.26 -5.05 115.29 123.18 3cik s HIS 185 Ca 0.58 -2.19 -0.20 0.00 -0.15 0.00 0.00 55.06 53.10 3cik s HIS 185 Cb -0.22 -2.05 -0.09 0.00 1.11 0.00 0.00 32.58 31.33 3cik s HIS 185 CO 0.19 -0.87 0.81 -0.51 -0.85 0.00 0.00 174.74 173.51 3cik s LEU 186 N 1.16 4.23 0.20 0.89 1.43 -1.26 -5.05 118.68 120.27 3cik s LEU 186 Ca 0.12 1.52 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 3cik s LEU 186 Cb -0.19 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 3cik s LEU 186 CO -0.16 -0.09 0.23 0.42 0.23 0.00 0.00 176.35 176.99 3cik s THR 187 N -1.73 0.02 0.54 5.49 -4.23 -1.26 -4.77 115.64 109.70 3cik s THR 187 Ca 0.50 -1.76 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 3cik s THR 187 Cb -0.15 -2.30 0.36 0.00 1.34 0.00 0.00 72.50 71.75 3cik s THR 187 CO 0.20 -0.08 2.05 0.24 -0.54 0.00 0.00 174.62 176.49 3cik h MET 188 N 2.54 0.00 -0.27 3.99 0.00 -1.98 0.23 114.93 119.43 3cik h MET 188 Ca -0.33 0.00 0.08 0.00 0.00 0.00 0.00 59.70 59.45 3cik h MET 188 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.83 3cik h MET 188 CO 0.48 0.00 0.26 -0.91 0.00 0.00 0.00 176.91 176.75 3cik h ASN 189 N 0.00 0.00 -0.01 1.22 2.35 -2.01 -2.66 115.58 114.46 3cik h ASN 189 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3cik h ASN 189 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3cik h ASN 189 CO -0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 3cik n ASP 190 N -3.91 0.48 -4.05 5.81 10.43 0.79 -4.80 116.55 121.30 3cik n ASP 190 Ca 0.04 -1.18 -0.21 0.00 2.57 0.00 0.00 54.79 56.01 3cik n ASP 190 Cb 0.41 -0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.22 3cik n ASP 190 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3cik s PHE 191 N -2.00 1.04 -0.48 1.24 0.08 -1.00 -1.42 117.98 115.43 3cik s PHE 191 Ca 0.44 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 3cik s PHE 191 Cb 0.21 -0.69 0.07 0.00 -0.57 0.00 0.00 43.02 42.04 3cik s PHE 191 CO 0.35 -0.05 0.46 0.45 -0.10 0.00 0.00 175.22 176.33 3cik s SER 192 N -0.09 6.17 0.12 1.36 0.15 0.41 -4.93 113.70 116.89 3cik s SER 192 Ca 0.01 -1.21 -0.29 0.00 0.70 0.00 0.00 55.95 55.16 3cik s SER 192 Cb -0.06 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3cik s SER 192 CO 0.00 -0.72 0.92 -0.69 1.20 0.00 0.00 173.24 173.95 3cik s VAL 193 N 1.93 4.46 -0.18 4.45 1.01 -1.26 -1.68 120.40 129.13 3cik s VAL 193 Ca 0.07 2.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.97 3cik s VAL 193 Cb -0.23 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 3cik s VAL 193 CO 0.08 0.36 -0.22 1.41 0.00 0.00 0.00 175.10 176.74 3cik n HIS 194 N 2.53 0.00 -3.55 5.22 8.25 0.94 -4.98 115.22 123.63 3cik n HIS 194 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3cik n HIS 194 Cb 0.49 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 3cik n HIS 194 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3cik s ARG 195 N -2.33 0.65 0.51 -0.41 1.70 -1.19 -4.99 118.95 112.90 3cik s ARG 195 Ca -0.25 -0.07 -0.20 0.00 -0.47 0.00 0.00 55.73 54.74 3cik s ARG 195 Cb 0.09 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 3cik s ARG 195 CO 0.33 -0.25 1.10 0.42 -1.08 0.00 0.00 175.30 175.82 3cik s ILE 196 N -2.10 3.36 0.00 4.99 1.01 -1.26 -0.86 121.20 126.33 3cik s ILE 196 Ca 0.02 0.87 0.10 0.00 0.00 0.00 0.00 60.65 61.65 3cik s ILE 196 Cb -0.01 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.27 3cik s ILE 196 CO -0.04 -0.16 1.00 2.30 0.00 0.00 0.00 174.94 178.05 3cik n ILE 197 N -1.07 0.00 0.00 2.92 -5.35 -0.39 -4.81 119.36 110.66 3cik n ILE 197 Ca 0.10 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3cik n ILE 197 Cb 0.51 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 3cik n ILE 197 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cik n GLY 198 N 0.20 -0.07 3.64 3.28 0.00 -1.24 -4.89 105.19 106.11 3cik n GLY 198 Ca -0.07 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 3cik n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cik n ARG 199 N 0.00 2.50 0.00 1.61 1.74 -1.26 -2.46 116.66 118.79 3cik n ARG 199 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3cik n ARG 199 Cb 0.00 -3.09 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 3cik n ARG 199 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cik n GLY 200 N 5.04 6.15 0.00 -0.13 0.00 -0.50 -5.01 105.19 110.74 3cik n GLY 200 Ca 0.24 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3cik n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cik n GLY 201 N 5.00 -2.68 0.28 -0.02 0.00 -1.26 -4.08 105.19 102.43 3cik n GLY 201 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3cik n GLY 201 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cik n PHE 202 N -0.27 0.11 -3.44 1.61 0.99 -1.26 -4.96 117.46 110.25 3cik n PHE 202 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 3cik n PHE 202 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3cik n PHE 202 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cik n GLY 203 N 0.94 -0.78 3.65 1.37 0.00 -1.25 0.56 105.19 109.68 3cik n GLY 203 Ca 0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3cik n GLY 203 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cik s GLU 204 N -0.89 2.07 -0.11 1.61 1.03 -1.07 -1.42 118.70 119.92 3cik s GLU 204 Ca 0.00 -1.86 0.02 0.00 0.03 0.00 0.00 54.97 53.16 3cik s GLU 204 Cb 0.00 -1.87 -0.01 0.00 -0.80 0.00 0.00 34.13 31.46 3cik s GLU 204 CO 0.00 0.03 -0.19 0.08 -1.33 0.00 0.00 175.26 173.85 3cik s VAL 205 N -2.59 2.48 0.23 1.83 1.01 -1.03 -1.32 120.40 121.02 3cik s VAL 205 Ca 0.36 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.58 3cik s VAL 205 Cb 0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3cik s VAL 205 CO 0.20 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.42 3cik s TYR 206 N 0.33 2.52 -0.17 5.22 1.51 0.88 -1.26 117.35 126.39 3cik s TYR 206 Ca -0.15 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 3cik s TYR 206 Cb -0.17 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 3cik s TYR 206 CO 0.08 0.59 0.24 0.20 -1.11 0.00 0.00 175.55 175.54 3cik s GLY 207 N -3.19 2.16 0.32 0.71 0.00 -0.04 -0.36 107.32 106.91 3cik s GLY 207 Ca 0.27 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 3cik s GLY 207 CO 0.16 0.31 0.46 0.00 0.00 0.00 0.00 173.10 174.02 3cik s ARG 209 N -2.68 0.02 0.07 0.00 3.52 -0.68 -1.25 118.95 117.95 3cik s ARG 209 Ca 0.25 0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 3cik s ARG 209 Cb -0.01 -0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.12 3cik s ARG 209 CO 0.18 -0.16 1.10 0.21 -0.81 0.00 0.00 175.30 175.82 3cik s LYS 210 N 1.03 4.52 0.03 5.12 2.20 -0.60 -0.45 119.74 131.59 3cik s LYS 210 Ca -0.08 1.63 -0.21 0.00 -0.36 0.00 0.00 55.97 56.95 3cik s LYS 210 Cb -0.11 -3.37 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 3cik s LYS 210 CO -0.04 -0.09 1.32 0.00 -0.36 0.00 0.00 175.35 176.18 3cik h ALA 211 N 6.35 0.18 -0.51 3.13 0.00 -1.59 0.21 119.26 127.04 3cik h ALA 211 Ca -0.42 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.21 3cik h ALA 211 Cb 1.22 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3cik h ALA 211 CO 0.77 0.06 -0.30 -0.25 0.00 0.00 0.00 179.25 179.53 3cik n ASP 212 N -4.58 -0.53 -0.00 0.00 8.00 -1.24 -3.82 116.55 114.38 3cik n ASP 212 Ca -0.07 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3cik n ASP 212 Cb 0.36 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 3cik n ASP 212 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cik n THR 213 N -4.64 0.01 -0.88 -3.53 -2.24 -1.20 -4.49 114.28 97.30 3cik n THR 213 Ca 0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3cik n THR 213 Cb 0.13 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3cik n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cik n GLY 214 N 2.49 0.54 3.71 3.38 0.00 0.72 -4.77 105.19 111.25 3cik n GLY 214 Ca -0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3cik n GLY 214 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cik s LYS 215 N -0.35 4.40 0.32 1.61 2.47 -1.24 -4.69 119.74 122.26 3cik s LYS 215 Ca 0.00 1.80 -0.29 0.00 -1.56 0.00 0.00 55.97 55.92 3cik s LYS 215 Cb 0.00 -3.38 -0.10 0.00 -1.46 0.00 0.00 37.83 32.89 3cik s LYS 215 CO 0.00 -0.32 1.33 -1.64 0.16 0.00 0.00 175.35 174.88 3cik s MET 216 N 1.32 4.34 0.12 4.03 -1.94 -1.26 -1.56 119.30 124.34 3cik s MET 216 Ca 0.59 2.23 -0.20 0.00 -1.71 0.00 0.00 55.69 56.60 3cik s MET 216 Cb -0.30 -3.08 0.05 0.00 2.01 0.00 0.00 34.83 33.52 3cik s MET 216 CO 0.28 -0.23 0.50 0.71 -0.01 0.00 0.00 175.02 176.27 3cik s TYR 217 N -0.93 -0.38 -0.04 -0.03 4.12 -0.38 -4.76 117.35 114.95 3cik s TYR 217 Ca 0.51 0.17 -0.15 0.00 0.02 0.00 0.00 57.07 57.62 3cik s TYR 217 Cb -0.40 0.39 -0.05 0.00 -1.52 0.00 0.00 41.96 40.38 3cik s TYR 217 CO 0.51 -0.75 0.40 0.00 0.02 0.00 0.00 175.55 175.74 3cik s ALA 218 N -3.52 3.65 -0.26 3.71 0.00 0.39 -0.72 121.76 125.01 3cik s ALA 218 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 3cik s ALA 218 Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 3cik s ALA 218 CO -0.10 0.36 0.04 1.41 0.00 0.00 0.00 175.76 177.46 3cik s MET 219 N -0.61 3.34 -0.34 0.00 1.75 0.51 -0.45 119.30 123.50 3cik s MET 219 Ca 0.23 -0.67 -0.14 0.00 -1.25 0.00 0.00 55.69 53.86 3cik s MET 219 Cb -0.16 -3.24 -0.01 0.00 2.84 0.00 0.00 34.83 34.25 3cik s MET 219 CO 0.12 -0.29 0.28 0.21 -0.65 0.00 0.00 175.02 174.69 3cik s LYS 220 N 1.52 3.50 -0.16 4.11 2.20 0.01 -0.08 119.74 130.85 3cik s LYS 220 Ca 0.05 -0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 55.00 3cik s LYS 220 Cb -0.16 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 3cik s LYS 220 CO 0.01 -0.48 0.12 0.00 -0.36 0.00 0.00 175.35 174.64 3cik s LEU 222 N -0.31 1.88 -0.18 0.00 1.43 -0.50 -2.61 118.68 118.40 3cik s LEU 222 Ca 0.11 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 3cik s LEU 222 Cb -0.12 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3cik s LEU 222 CO 0.01 -0.09 1.60 -0.62 0.23 0.00 0.00 176.35 177.48 3cik s ASP 223 N 1.46 6.48 0.30 2.29 2.15 0.19 -1.73 116.67 127.82 3cik s ASP 223 Ca 0.03 1.76 0.04 0.00 0.43 0.00 0.00 52.55 54.81 3cik s ASP 223 Cb -0.14 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.61 3cik s ASP 223 CO -0.10 -1.15 1.82 0.11 -0.17 0.00 0.00 175.17 175.68 3cik h LYS 224 N 10.31 0.85 -0.11 4.34 1.57 -1.67 -1.31 116.57 130.55 3cik h LYS 224 Ca -0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3cik h LYS 224 Cb 1.16 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3cik h LYS 224 CO 0.99 0.56 0.03 0.87 -0.57 0.00 0.00 179.45 181.33 3cik h LYS 225 N 0.87 0.17 -1.01 3.15 1.57 -1.90 -2.37 116.57 117.06 3cik h LYS 225 Ca 0.52 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.33 3cik h LYS 225 Cb 0.67 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 3cik h LYS 225 CO -0.30 0.33 0.65 0.00 -0.57 0.00 0.00 179.45 179.56 3cik h ARG 226 N -0.02 1.14 -0.90 3.15 3.08 -1.71 0.31 114.38 119.43 3cik h ARG 226 Ca 0.03 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3cik h ARG 226 Cb 0.23 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3cik h ARG 226 CO -0.00 0.75 0.58 0.82 -1.07 0.00 0.00 179.97 181.06 3cik h ILE 227 N 1.17 1.14 -0.04 2.04 2.04 -1.08 -0.87 117.51 121.92 3cik h ILE 227 Ca 0.44 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 3cik h ILE 227 Cb 0.18 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3cik h ILE 227 CO -0.18 0.21 -0.54 0.50 0.00 0.00 0.00 178.15 178.14 3cik h LYS 228 N 1.12 0.12 -0.08 2.37 3.64 -0.68 0.42 116.57 123.48 3cik h LYS 228 Ca 0.36 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.43 3cik h LYS 228 Cb 0.02 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3cik h LYS 228 CO -0.12 0.63 -0.91 1.98 -2.27 0.00 0.00 179.45 178.76 3cik h MET 229 N 0.09 0.74 -0.65 1.90 4.05 -0.00 -3.17 114.93 117.89 3cik h MET 229 Ca -0.00 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 58.73 3cik h MET 229 Cb 0.98 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3cik h MET 229 CO 0.08 1.28 0.00 1.63 0.23 0.00 0.00 176.91 180.13 3cik n LYS 230 N -3.89 3.67 -4.26 0.39 5.02 -0.43 -4.93 118.16 113.74 3cik n LYS 230 Ca -0.09 -2.45 -0.33 0.00 -2.02 0.00 0.00 58.31 53.42 3cik n LYS 230 Cb 0.81 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3cik n LYS 230 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cik n GLN 231 N 0.73 -1.90 -1.25 1.97 6.02 -1.07 -4.86 117.38 117.02 3cik n GLN 231 Ca 0.22 0.23 -0.25 0.00 -0.01 0.00 0.00 57.00 57.19 3cik n GLN 231 Cb 0.88 -4.35 0.14 0.00 1.02 0.00 0.00 30.24 27.93 3cik n GLN 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cik n GLY 232 N -1.89 5.13 0.11 1.08 0.00 0.14 -4.63 105.19 105.13 3cik n GLY 232 Ca -0.15 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 3cik n GLY 232 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cik h GLU 233 N 1.40 0.16 -0.24 1.61 3.07 -1.89 -3.21 114.58 115.46 3cik h GLU 233 Ca 0.56 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.36 59.02 3cik h GLU 233 Cb 1.95 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 3cik h GLU 233 CO 1.15 1.00 -0.60 1.15 -1.40 0.00 0.00 179.01 180.31 3cik h THR 234 N 0.07 1.28 -0.56 1.13 2.02 -1.96 -2.91 112.91 111.99 3cik h THR 234 Ca -0.05 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.33 3cik h THR 234 Cb 1.64 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 3cik h THR 234 CO 0.14 0.58 0.34 0.25 0.37 0.00 0.00 175.52 177.20 3cik h LEU 235 N 0.61 0.68 -0.52 2.58 5.85 -1.89 0.18 115.31 122.79 3cik h LEU 235 Ca -0.00 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3cik h LEU 235 Cb 1.21 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3cik h LEU 235 CO 0.13 0.54 -0.08 0.00 -0.34 0.00 0.00 178.44 178.69 3cik h ALA 236 N 1.17 0.72 -0.19 1.25 0.00 -1.62 -1.27 119.26 119.32 3cik h ALA 236 Ca 0.20 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3cik h ALA 236 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cik h ALA 236 CO -0.04 0.60 -0.62 -0.07 0.00 0.00 0.00 179.25 179.12 3cik h LEU 237 N 0.85 0.74 -1.03 0.00 3.38 -1.30 -2.19 115.31 115.76 3cik h LEU 237 Ca 0.14 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3cik h LEU 237 Cb 0.63 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3cik h LEU 237 CO 0.04 1.18 0.06 -1.13 0.09 0.00 0.00 178.44 178.69 3cik h ASN 238 N 0.48 0.71 -0.57 -0.43 -1.24 -0.58 -2.08 115.58 111.87 3cik h ASN 238 Ca -0.01 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 3cik h ASN 238 Cb 1.20 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 3cik h ASN 238 CO 0.12 0.74 0.26 -0.08 -1.29 0.00 0.00 177.43 177.19 3cik h GLU 239 N 0.72 0.83 0.22 6.67 4.81 -0.98 -0.65 114.58 126.20 3cik h GLU 239 Ca 0.15 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3cik h GLU 239 Cb 0.35 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3cik h GLU 239 CO 0.01 0.68 -0.33 -0.09 -0.73 0.00 0.00 179.01 178.55 3cik h ARG 240 N 0.78 -0.60 -0.58 1.92 1.12 -1.19 -1.64 114.38 114.18 3cik h ARG 240 Ca 0.19 0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.05 3cik h ARG 240 Cb 0.14 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.21 3cik h ARG 240 CO -0.02 -0.40 0.15 0.82 -3.11 0.00 0.00 179.97 177.41 3cik h ILE 241 N -0.62 1.25 -0.05 1.20 1.08 -1.21 -2.60 117.51 116.56 3cik h ILE 241 Ca 0.01 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3cik h ILE 241 Cb 0.61 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3cik h ILE 241 CO -0.13 0.33 -0.01 0.24 -0.69 0.00 0.00 178.15 177.88 3cik h MET 242 N 0.83 0.10 -0.93 2.37 2.86 -1.05 -2.45 114.93 116.65 3cik h MET 242 Ca 0.18 -0.04 0.25 0.00 -2.06 0.00 0.00 59.70 58.03 3cik h MET 242 Cb 0.33 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.85 3cik h MET 242 CO -0.00 0.44 0.43 -0.07 1.06 0.00 0.00 176.91 178.77 3cik h LEU 243 N -0.25 0.35 -0.63 1.22 3.38 -1.32 -0.98 115.31 117.09 3cik h LEU 243 Ca 0.01 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3cik h LEU 243 Cb 0.41 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3cik h LEU 243 CO 0.01 -0.04 0.40 -1.28 0.09 0.00 0.00 178.44 177.61 3cik h SER 244 N 0.37 0.67 1.29 -0.43 0.87 -1.06 0.90 113.55 116.17 3cik h SER 244 Ca 0.60 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 3cik h SER 244 Cb 1.21 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 3cik h SER 244 CO -0.56 0.47 0.00 -0.07 -0.53 0.00 0.00 176.83 176.14 3cik h LEU 245 N 0.80 0.00 0.00 2.23 3.38 -0.75 -3.31 115.31 117.66 3cik h LEU 245 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3cik h LEU 245 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3cik h LEU 245 CO -0.09 0.00 -1.48 0.52 0.09 0.00 0.00 178.44 177.49 3cik n VAL 246 N -3.01 0.00 1.87 1.22 0.31 -0.91 -4.62 118.33 113.19 3cik n VAL 246 Ca 0.02 -0.24 0.16 0.00 -0.01 0.00 0.00 64.34 64.26 3cik n VAL 246 Cb 0.37 0.26 0.90 0.00 -0.91 0.00 0.00 33.84 34.46 3cik n VAL 246 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3cik n SER 247 N -1.86 0.00 -4.90 4.52 7.64 0.27 -4.79 113.62 114.49 3cik n SER 247 Ca -0.02 -0.84 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 3cik n SER 247 Cb 0.27 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.45 3cik n SER 247 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cik s THR 248 N -2.10 3.98 0.00 0.44 -4.23 -1.26 -4.41 115.64 108.06 3cik s THR 248 Ca 0.44 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 3cik s THR 248 Cb 0.21 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3cik s THR 248 CO 0.38 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 3cik n GLY 249 N -2.65 1.51 3.35 3.99 0.00 -1.26 -4.47 105.19 105.66 3cik n GLY 249 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3cik n GLY 249 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cik n ASP 250 N 0.00 -4.54 -4.66 1.61 2.03 -1.26 -4.92 116.55 104.81 3cik n ASP 250 Ca 0.00 -0.68 -0.43 0.00 0.52 0.00 0.00 54.79 54.20 3cik n ASP 250 Cb 0.00 -5.12 -0.02 0.00 -0.72 0.00 0.00 41.12 35.26 3cik n ASP 250 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cik h PRO 252 N 8.91 0.00 -0.14 0.00 0.11 -1.91 -3.32 132.00 135.64 3cik h PRO 252 Ca -0.31 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 3cik h PRO 252 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3cik h PRO 252 CO 0.97 0.00 -0.12 1.19 -0.21 0.00 0.00 178.00 179.83 3cik n PHE 253 N -2.30 0.46 -3.93 0.65 3.72 -1.26 -4.78 117.46 110.03 3cik n PHE 253 Ca 0.01 -1.21 -0.15 0.00 -0.05 0.00 0.00 57.45 56.05 3cik n PHE 253 Cb 0.17 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.28 3cik n PHE 253 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3cik s ILE 254 N -3.03 0.12 -0.70 4.37 1.01 -1.25 -1.37 121.20 120.35 3cik s ILE 254 Ca 0.38 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 3cik s ILE 254 Cb 0.34 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.63 3cik s ILE 254 CO 0.01 0.07 1.86 -0.69 0.00 0.00 0.00 174.94 176.20 3cik s VAL 255 N 0.41 3.40 0.42 2.92 1.01 0.11 -4.83 120.40 123.84 3cik s VAL 255 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3cik s VAL 255 Cb -0.06 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3cik s VAL 255 CO -0.01 -0.96 0.60 0.00 0.00 0.00 0.00 175.10 174.73 3cik s MET 257 N -4.43 3.28 -0.07 0.00 1.75 -1.26 -1.36 119.30 117.21 3cik s MET 257 Ca 0.50 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.46 3cik s MET 257 Cb -0.10 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 3cik s MET 257 CO 0.35 0.61 -0.06 0.43 -0.65 0.00 0.00 175.02 175.70 3cik n SER 258 N 0.52 3.28 -4.16 1.11 7.64 0.30 -4.86 113.62 117.44 3cik n SER 258 Ca -0.08 -0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.65 3cik n SER 258 Cb 0.52 -0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 3cik n SER 258 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3cik s TYR 259 N -2.13 0.97 -0.05 1.43 2.02 -1.22 -1.84 117.35 116.53 3cik s TYR 259 Ca -0.09 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 55.91 3cik s TYR 259 Cb 0.02 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3cik s TYR 259 CO 0.15 -0.05 -0.10 0.00 -1.57 0.00 0.00 175.55 173.98 3cik s ALA 260 N -2.72 1.06 0.34 3.71 0.00 -0.05 -1.21 121.76 122.91 3cik s ALA 260 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 3cik s ALA 260 Cb -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3cik s ALA 260 CO -0.01 0.12 0.52 -0.59 0.00 0.00 0.00 175.76 175.79 3cik s PHE 261 N 0.52 0.89 -0.18 0.00 -0.12 0.51 -1.54 117.98 118.05 3cik s PHE 261 Ca -0.10 -1.19 -0.15 0.00 -0.05 0.00 0.00 56.93 55.44 3cik s PHE 261 Cb -0.13 0.07 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 3cik s PHE 261 CO 0.02 -1.19 0.47 -3.38 -0.05 0.00 0.00 175.22 171.09 3cik s HIS 262 N -2.99 -0.55 0.55 3.49 -3.43 -1.26 0.72 115.29 111.82 3cik s HIS 262 Ca 0.28 1.29 0.07 0.00 -0.80 0.00 0.00 55.06 55.91 3cik s HIS 262 Cb -0.01 0.20 0.07 0.00 -1.43 0.00 0.00 32.58 31.41 3cik s HIS 262 CO 0.18 -0.27 0.76 0.95 -2.00 0.00 0.00 174.74 174.36 3cik s THR 263 N 0.45 2.39 0.54 -5.38 -4.23 -0.56 -4.96 115.64 103.90 3cik s THR 263 Ca -0.02 -0.93 0.31 0.00 -1.18 0.00 0.00 61.69 59.87 3cik s THR 263 Cb -0.04 -2.47 0.46 0.00 1.34 0.00 0.00 72.50 71.80 3cik s THR 263 CO -0.02 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.31 3cik h PRO 264 N 0.20 0.00 0.00 3.99 0.11 -2.03 -3.02 132.00 131.25 3cik h PRO 264 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3cik h PRO 264 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cik h PRO 264 CO 0.42 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 3cik n ASP 265 N -4.19 0.49 -4.30 -2.05 5.68 -1.26 -5.00 116.55 105.91 3cik n ASP 265 Ca 0.16 -0.75 -0.19 0.00 -0.50 0.00 0.00 54.79 53.52 3cik n ASP 265 Cb 0.90 0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 41.17 3cik n ASP 265 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3cik s LYS 266 N -0.40 1.20 -0.09 0.11 -0.14 -1.14 -1.81 119.74 117.46 3cik s LYS 266 Ca 0.00 -1.42 0.01 0.00 -1.36 0.00 0.00 55.97 53.19 3cik s LYS 266 Cb 0.00 -1.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.04 3cik s LYS 266 CO 0.00 0.20 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.19 3cik s LEU 267 N -2.86 3.05 -0.09 3.17 1.43 -0.70 -1.50 118.68 121.17 3cik s LEU 267 Ca 0.16 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3cik s LEU 267 Cb -0.03 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3cik s LEU 267 CO 0.05 0.31 -0.11 -0.44 0.23 0.00 0.00 176.35 176.39 3cik s SER 268 N -0.48 2.07 -0.10 2.29 0.01 0.22 -1.40 113.70 116.30 3cik s SER 268 Ca 0.07 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 3cik s SER 268 Cb -0.12 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 3cik s SER 268 CO 0.02 -0.03 0.05 -0.36 0.41 0.00 0.00 173.24 173.33 3cik s PHE 269 N 1.12 3.30 -0.29 2.43 0.08 -0.34 -0.36 117.98 123.92 3cik s PHE 269 Ca -0.05 0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.22 3cik s PHE 269 Cb -0.14 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3cik s PHE 269 CO -0.02 0.53 0.06 0.42 -0.10 0.00 0.00 175.22 176.10 3cik s ILE 270 N -0.84 3.74 0.27 0.64 -1.09 -0.35 -0.81 121.20 122.76 3cik s ILE 270 Ca 0.13 -0.81 0.10 0.00 -2.23 0.00 0.00 60.65 57.83 3cik s ILE 270 Cb -0.12 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3cik s ILE 270 CO 0.03 0.07 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.90 3cik s LEU 271 N 1.45 2.59 0.50 2.97 1.43 0.40 -0.54 118.68 127.48 3cik s LEU 271 Ca 0.01 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 3cik s LEU 271 Cb -0.17 -0.90 -0.12 0.00 0.03 0.00 0.00 46.19 45.03 3cik s LEU 271 CO 0.01 -0.12 0.28 0.47 0.23 0.00 0.00 176.35 177.22 3cik n ASP 272 N -0.58 -2.02 -4.48 2.29 8.00 -0.46 -0.46 116.55 118.83 3cik n ASP 272 Ca -0.06 0.75 -0.36 0.00 0.71 0.00 0.00 54.79 55.83 3cik n ASP 272 Cb 0.61 -1.03 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 3cik n ASP 272 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3cik s LEU 273 N 2.65 3.52 -0.30 0.64 2.96 -1.26 -4.09 118.68 122.79 3cik s LEU 273 Ca 0.63 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3cik s LEU 273 Cb -0.51 -1.94 0.09 0.00 0.50 0.00 0.00 46.19 44.33 3cik s LEU 273 CO 0.60 0.00 0.04 -0.04 -1.32 0.00 0.00 176.35 175.63 3cik s MET 274 N 1.40 1.23 0.16 1.98 -1.94 -1.26 -4.92 119.30 115.94 3cik s MET 274 Ca 0.05 -1.35 0.26 0.00 -1.71 0.00 0.00 55.69 52.94 3cik s MET 274 Cb -0.15 -2.59 0.93 0.00 2.01 0.00 0.00 34.83 35.02 3cik s MET 274 CO 0.04 -0.87 1.78 0.09 -0.01 0.00 0.00 175.02 176.05 3cik n ASN 275 N 4.58 0.55 -0.61 3.03 3.02 -1.25 -4.55 115.26 120.03 3cik n ASN 275 Ca -0.02 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.21 3cik n ASN 275 Cb 0.43 -0.71 0.39 0.00 -0.61 0.00 0.00 39.78 39.28 3cik n ASN 275 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cik n GLY 276 N 1.04 0.38 0.21 7.41 0.00 0.88 -4.97 105.19 110.14 3cik n GLY 276 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.62 3cik n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cik n GLY 277 N 1.20 -2.10 3.97 -0.02 0.00 -1.26 -4.64 105.19 102.34 3cik n GLY 277 Ca 0.17 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 3cik n GLY 277 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3cik s ASP 278 N -5.26 5.44 0.44 1.61 1.47 -1.26 -2.09 116.67 117.02 3cik s ASP 278 Ca 0.00 0.08 0.24 0.00 1.18 0.00 0.00 52.55 54.06 3cik s ASP 278 Cb 0.00 -1.08 0.89 0.00 -0.34 0.00 0.00 42.92 42.40 3cik s ASP 278 CO 0.00 -1.01 1.81 0.25 0.68 0.00 0.00 175.17 176.90 3cik h LEU 279 N 0.16 0.00 -0.23 2.11 5.85 -0.79 -2.20 115.31 120.21 3cik h LEU 279 Ca -0.43 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 3cik h LEU 279 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3cik h LEU 279 CO 0.54 0.21 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.98 3cik h HIS 280 N 0.00 0.57 -0.57 1.25 2.76 -1.82 0.93 115.15 118.26 3cik h HIS 280 Ca -0.00 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 57.98 3cik h HIS 280 Cb 0.77 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3cik h HIS 280 CO 0.00 0.77 0.20 -0.92 -1.30 0.00 0.00 177.93 176.68 3cik h TYR 281 N 0.20 0.90 -0.43 5.26 3.20 -1.89 -2.29 116.97 121.92 3cik h TYR 281 Ca 0.05 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3cik h TYR 281 Cb 0.63 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3cik h TYR 281 CO 0.06 0.74 -0.22 0.45 -1.64 0.00 0.00 178.16 177.56 3cik h HIS 282 N 0.80 1.04 -0.95 -3.82 3.86 -1.30 -1.70 115.15 113.08 3cik h HIS 282 Ca 0.19 -0.26 0.16 0.00 -1.16 0.00 0.00 60.37 59.30 3cik h HIS 282 Cb 0.25 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 3cik h HIS 282 CO 0.01 1.06 0.60 1.25 0.86 0.00 0.00 177.93 181.71 3cik h LEU 283 N 0.73 0.69 -0.36 2.43 5.85 -0.83 0.66 115.31 124.48 3cik h LEU 283 Ca 0.09 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3cik h LEU 283 Cb 0.79 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3cik h LEU 283 CO 0.06 0.31 0.08 -1.28 -0.34 0.00 0.00 178.44 177.28 3cik h SER 284 N 0.71 0.56 0.22 1.25 0.87 -0.78 -0.68 113.55 115.70 3cik h SER 284 Ca 0.50 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3cik h SER 284 Cb 0.82 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3cik h SER 284 CO -0.26 0.65 -0.11 1.56 -0.53 0.00 0.00 176.83 178.15 3cik h GLN 285 N 0.44 -0.28 0.00 2.24 1.08 -0.70 -3.37 115.11 114.52 3cik h GLN 285 Ca 0.11 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3cik h GLN 285 Cb 0.31 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3cik h GLN 285 CO 0.00 0.10 -0.11 1.25 -0.95 0.00 0.00 178.83 179.12 3cik h HIS 286 N -0.83 0.00 -0.16 2.96 2.76 0.30 -3.50 115.15 116.68 3cik h HIS 286 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3cik h HIS 286 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3cik h HIS 286 CO 0.06 0.11 0.00 0.41 -1.30 0.00 0.00 177.93 177.21 3cik n GLY 287 N 0.66 -1.95 3.78 5.26 0.00 -0.27 -4.92 105.19 107.76 3cik n GLY 287 Ca 0.02 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3cik n GLY 287 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cik s VAL 288 N 0.00 3.38 0.12 1.61 -7.23 -1.26 -4.66 120.40 112.36 3cik s VAL 288 Ca 0.00 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 60.84 3cik s VAL 288 Cb 0.00 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 3cik s VAL 288 CO 0.00 -0.38 0.28 -0.36 -0.31 0.00 0.00 175.10 174.33 3cik s PHE 289 N -2.32 3.50 1.18 2.82 0.08 -0.71 -5.02 117.98 117.52 3cik s PHE 289 Ca 0.67 0.23 -0.18 0.00 0.12 0.00 0.00 56.93 57.77 3cik s PHE 289 Cb -0.20 -1.75 0.27 0.00 -0.57 0.00 0.00 43.02 40.78 3cik s PHE 289 CO 0.39 0.52 1.08 -1.54 -0.10 0.00 0.00 175.22 175.57 3cik s SER 290 N -2.90 1.08 0.11 1.36 1.04 -1.26 -4.37 113.70 108.76 3cik s SER 290 Ca 0.36 0.82 -0.18 0.00 0.48 0.00 0.00 55.95 57.43 3cik s SER 290 Cb -0.12 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 3cik s SER 290 CO 0.28 -4.05 1.65 -0.33 0.98 0.00 0.00 173.24 171.77 3cik h GLU 291 N -2.53 0.47 -0.25 4.02 5.08 -1.99 -0.03 114.58 119.36 3cik h GLU 291 Ca -0.48 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 57.83 3cik h GLU 291 Cb 1.31 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3cik h GLU 291 CO 0.40 0.49 0.02 0.00 -1.00 0.00 0.00 179.01 178.92 3cik h ALA 292 N 0.96 0.23 -0.05 3.43 0.00 -1.99 0.16 119.26 121.99 3cik h ALA 292 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3cik h ALA 292 Cb 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3cik h ALA 292 CO -0.01 -0.40 0.01 -0.44 0.00 0.00 0.00 179.25 178.41 3cik h ASP 293 N 0.10 0.08 -0.80 0.00 3.32 -1.91 -2.93 116.42 114.28 3cik h ASP 293 Ca 0.12 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.01 3cik h ASP 293 Cb 0.14 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3cik h ASP 293 CO -0.18 0.28 0.48 -0.03 -1.72 0.00 0.00 179.24 178.07 3cik h MET 294 N -0.12 0.83 -0.61 3.56 4.05 -0.79 -2.06 114.93 119.78 3cik h MET 294 Ca 0.02 -0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.51 3cik h MET 294 Cb 0.23 -0.19 -0.09 0.00 -0.80 0.00 0.00 31.60 30.75 3cik h MET 294 CO 0.00 0.55 0.09 -0.09 0.23 0.00 0.00 176.91 177.69 3cik h ARG 295 N 0.86 0.21 -0.25 0.39 2.43 -0.61 0.31 114.38 117.71 3cik h ARG 295 Ca 0.36 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3cik h ARG 295 Cb 0.22 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3cik h ARG 295 CO -0.19 0.14 0.05 0.35 -1.51 0.00 0.00 179.97 178.80 3cik h PHE 296 N 0.21 0.44 -0.98 2.20 3.57 -1.19 0.42 116.94 121.62 3cik h PHE 296 Ca 0.33 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3cik h PHE 296 Cb 0.51 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3cik h PHE 296 CO -0.28 0.52 0.64 1.88 -2.23 0.00 0.00 178.31 178.84 3cik h TYR 297 N 0.23 1.21 -0.08 0.41 0.05 -1.22 -2.87 116.97 114.71 3cik h TYR 297 Ca 0.08 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 3cik h TYR 297 Cb 0.32 -0.41 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 3cik h TYR 297 CO 0.02 0.74 0.04 0.00 -1.05 0.00 0.00 178.16 177.90 3cik h ALA 298 N 1.37 0.10 0.13 3.88 0.00 0.16 -2.22 119.26 122.69 3cik h ALA 298 Ca 0.37 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3cik h ALA 298 Cb -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3cik h ALA 298 CO -0.10 -0.35 -0.42 0.00 0.00 0.00 0.00 179.25 178.38 3cik h ALA 299 N 0.93 -0.76 -0.34 0.00 0.00 -0.72 -0.49 119.26 117.87 3cik h ALA 299 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3cik h ALA 299 Cb 0.10 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3cik h ALA 299 CO -0.00 -0.99 0.14 0.93 0.00 0.00 0.00 179.25 179.33 3cik h GLU 300 N -0.67 0.30 -0.99 0.00 5.08 -1.53 -1.41 114.58 115.36 3cik h GLU 300 Ca 0.02 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3cik h GLU 300 Cb 0.69 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 3cik h GLU 300 CO -0.24 0.20 0.63 0.82 -1.00 0.00 0.00 179.01 179.42 3cik h ILE 301 N 0.30 0.96 -0.48 3.13 2.04 -0.95 -2.43 117.51 120.09 3cik h ILE 301 Ca 0.15 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3cik h ILE 301 Cb 0.10 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.01 3cik h ILE 301 CO -0.13 0.19 0.18 0.40 0.00 0.00 0.00 178.15 178.78 3cik h ILE 302 N 1.02 1.21 -0.72 -0.67 2.04 0.02 -1.51 117.51 118.90 3cik h ILE 302 Ca 0.47 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3cik h ILE 302 Cb 0.41 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3cik h ILE 302 CO -0.23 0.25 0.34 -0.07 0.00 0.00 0.00 178.15 178.43 3cik h LEU 303 N 0.63 0.95 -0.39 1.44 3.38 -1.16 0.19 115.31 120.35 3cik h LEU 303 Ca 0.16 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3cik h LEU 303 Cb 0.21 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 3cik h LEU 303 CO -0.01 0.83 -0.20 1.23 0.09 0.00 0.00 178.44 180.37 3cik h GLY 304 N 1.01 0.07 1.00 0.83 0.00 -1.02 -0.97 103.07 103.99 3cik h GLY 304 Ca 0.25 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 3cik h GLY 304 CO -0.03 -0.20 0.30 1.41 0.00 0.00 0.00 176.54 178.03 3cik h LEU 305 N -0.13 0.83 -0.96 3.11 3.38 -0.58 -1.48 115.31 119.47 3cik h LEU 305 Ca 0.19 -0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.23 3cik h LEU 305 Cb 0.43 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 3cik h LEU 305 CO -0.48 0.73 0.55 -0.08 0.09 0.00 0.00 178.44 179.25 3cik h GLU 306 N 0.87 0.62 -0.42 1.13 4.81 0.04 -0.61 114.58 121.03 3cik h GLU 306 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3cik h GLU 306 Cb 0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3cik h GLU 306 CO -0.03 0.41 0.22 1.25 -0.73 0.00 0.00 179.01 180.13 3cik h HIS 307 N 0.64 0.58 0.39 0.92 2.76 -0.12 -2.05 115.15 118.26 3cik h HIS 307 Ca 0.58 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.71 3cik h HIS 307 Cb 0.98 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.76 3cik h HIS 307 CO -0.04 0.45 -0.19 0.52 -1.30 0.00 0.00 177.93 177.38 3cik h MET 308 N 0.54 -0.50 -0.83 5.26 2.86 -1.11 -3.04 114.93 118.11 3cik h MET 308 Ca 0.15 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 3cik h MET 308 Cb 0.07 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 31.74 3cik h MET 308 CO -0.02 -0.19 0.37 0.45 1.06 0.00 0.00 176.91 178.58 3cik h HIS 309 N -0.93 0.63 0.00 -0.22 -0.00 -1.10 0.28 115.15 113.81 3cik h HIS 309 Ca -0.05 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3cik h HIS 309 Cb 0.54 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3cik h HIS 309 CO 0.02 0.07 -0.13 -0.91 -0.00 0.00 0.00 177.93 176.99 3cik h ASN 310 N 0.49 0.00 -0.45 2.45 -0.26 -1.41 0.18 115.58 116.58 3cik h ASN 310 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 3cik h ASN 310 Cb 0.75 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 3cik h ASN 310 CO -0.43 0.13 0.00 0.54 -1.06 0.00 0.00 177.43 176.61 3cik n ARG 311 N -4.18 3.53 -3.58 0.81 1.74 0.86 -4.95 116.66 110.89 3cik n ARG 311 Ca -0.02 -2.25 -0.21 0.00 -0.77 0.00 0.00 57.85 54.60 3cik n ARG 311 Cb 0.20 -1.93 0.07 0.00 -1.02 0.00 0.00 32.46 29.78 3cik n ARG 311 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cik n PHE 312 N 0.60 -2.32 -5.07 -1.55 3.01 0.63 -4.93 117.46 107.83 3cik n PHE 312 Ca 0.20 0.94 -0.29 0.00 1.01 0.00 0.00 57.45 59.30 3cik n PHE 312 Cb 0.84 -4.81 -0.16 0.00 -0.01 0.00 0.00 39.48 35.34 3cik n PHE 312 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3cik s VAL 313 N -3.41 1.78 -0.25 -4.37 1.01 -0.78 -1.44 120.40 112.93 3cik s VAL 313 Ca 0.22 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3cik s VAL 313 Cb -0.10 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3cik s VAL 313 CO 0.76 0.50 0.02 0.54 0.00 0.00 0.00 175.10 176.92 3cik s VAL 314 N -0.04 3.71 0.13 2.92 0.11 0.26 -3.20 120.40 124.29 3cik s VAL 314 Ca -0.05 -0.54 -0.15 0.00 -2.93 0.00 0.00 61.98 58.32 3cik s VAL 314 Cb -0.13 -2.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 3cik s VAL 314 CO 0.03 0.28 1.61 0.22 -3.33 0.00 0.00 175.10 173.91 3cik h TYR 315 N 8.17 0.74 0.00 1.54 3.20 -1.91 -1.03 116.97 127.67 3cik h TYR 315 Ca -0.37 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3cik h TYR 315 Cb 1.15 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3cik h TYR 315 CO 0.61 0.71 0.00 0.54 -1.64 0.00 0.00 178.16 178.38 3cik n ARG 316 N -4.50 0.00 -2.23 1.82 1.74 -1.26 -3.50 116.66 108.73 3cik n ARG 316 Ca -0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 3cik n ARG 316 Cb 0.24 -2.45 0.03 0.00 -1.02 0.00 0.00 32.46 29.25 3cik n ARG 316 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3cik n ASP 317 N 0.00 4.12 -4.66 0.55 2.03 -1.26 -4.34 116.55 112.99 3cik n ASP 317 Ca 0.00 -3.34 -0.42 0.00 0.52 0.00 0.00 54.79 51.54 3cik n ASP 317 Cb 0.00 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 3cik n ASP 317 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3cik s LEU 318 N -3.64 4.27 0.01 -2.67 2.96 -1.26 -4.80 118.68 113.55 3cik s LEU 318 Ca 0.45 2.04 -0.28 0.00 -0.22 0.00 0.00 54.13 56.13 3cik s LEU 318 Cb 0.39 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.64 3cik s LEU 318 CO 0.01 -0.86 0.83 -1.59 -1.32 0.00 0.00 176.35 173.42 3cik s LYS 319 N 3.81 0.91 0.30 1.98 -2.85 -1.26 -4.79 119.74 117.83 3cik s LYS 319 Ca 0.67 -0.26 0.04 0.00 -1.00 0.00 0.00 55.97 55.41 3cik s LYS 319 Cb -0.29 0.42 0.65 0.00 -2.06 0.00 0.00 37.83 36.55 3cik s LYS 319 CO 0.24 -0.38 1.81 -1.35 0.10 0.00 0.00 175.35 175.77 3cik h PRO 320 N 2.11 0.86 -0.01 1.78 0.11 -1.92 -0.62 132.00 134.31 3cik h PRO 320 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3cik h PRO 320 Cb 1.24 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3cik h PRO 320 CO 0.33 0.57 0.01 0.00 -0.21 0.00 0.00 178.00 178.69 3cik h ALA 321 N 1.59 1.42 -0.40 -0.75 0.00 -1.94 0.11 119.26 119.30 3cik h ALA 321 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3cik h ALA 321 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3cik h ALA 321 CO -0.31 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.02 3cik n ASN 322 N -3.68 2.46 -4.35 0.00 3.02 -0.24 -4.76 115.26 107.70 3cik n ASN 322 Ca -0.03 -1.93 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 3cik n ASN 322 Cb 0.09 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.88 3cik n ASN 322 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cik s ILE 323 N -1.47 4.22 0.37 2.41 -1.09 0.01 -0.36 121.20 125.29 3cik s ILE 323 Ca 0.33 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 3cik s ILE 323 Cb 0.17 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 3cik s ILE 323 CO 0.24 -0.07 0.56 -0.76 -1.23 0.00 0.00 174.94 173.67 3cik s LEU 324 N 1.51 3.89 -0.04 2.97 1.43 -0.62 -0.77 118.68 127.05 3cik s LEU 324 Ca 0.02 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 3cik s LEU 324 Cb -0.18 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 3cik s LEU 324 CO 0.04 -0.47 -0.22 -0.76 0.23 0.00 0.00 176.35 175.17 3cik s LEU 325 N -4.34 2.02 0.00 1.79 1.02 -0.89 -1.78 118.68 116.50 3cik s LEU 325 Ca 0.44 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 3cik s LEU 325 Cb -0.10 -1.19 0.05 0.00 0.02 0.00 0.00 46.19 44.98 3cik s LEU 325 CO 0.35 0.23 0.33 -0.90 0.02 0.00 0.00 176.35 176.38 3cik n ASP 326 N 2.86 0.14 0.20 2.29 5.68 0.67 -0.08 116.55 128.31 3cik n ASP 326 Ca -0.17 -1.19 0.05 0.00 -0.50 0.00 0.00 54.79 52.98 3cik n ASP 326 Cb 0.52 -0.24 0.40 0.00 -1.14 0.00 0.00 41.12 40.66 3cik n ASP 326 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3cik h GLU 327 N 0.00 0.00 0.00 0.11 4.11 -1.91 -2.91 114.58 113.98 3cik h GLU 327 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 3cik h GLU 327 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3cik h GLU 327 CO 0.09 0.35 -0.42 0.72 0.07 0.00 0.00 179.01 179.82 3cik n HIS 328 N -3.83 0.17 0.00 2.06 8.25 -1.26 -4.33 115.22 116.28 3cik n HIS 328 Ca -0.01 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3cik n HIS 328 Cb 0.43 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3cik n HIS 328 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cik n GLY 329 N 1.45 0.97 3.82 -1.41 0.00 -1.10 -4.63 105.19 104.29 3cik n GLY 329 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3cik n GLY 329 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 330 N -2.00 3.24 0.26 1.61 3.76 -1.26 -4.76 115.29 116.14 3cik s HIS 330 Ca 0.00 1.59 0.10 0.00 -0.15 0.00 0.00 55.06 56.61 3cik s HIS 330 Cb 0.00 -2.90 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 3cik s HIS 330 CO 0.00 -0.32 -0.10 0.14 -0.85 0.00 0.00 174.74 173.61 3cik s VAL 331 N -2.16 3.00 0.00 -0.90 -7.23 -1.26 -0.24 120.40 111.60 3cik s VAL 331 Ca 0.63 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 3cik s VAL 331 Cb -0.11 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 3cik s VAL 331 CO 0.16 -0.34 0.11 -0.13 -0.31 0.00 0.00 175.10 174.59 3cik s ARG 332 N -3.46 0.43 0.32 4.82 0.52 -0.73 -4.56 118.95 116.28 3cik s ARG 332 Ca 0.29 -0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 3cik s ARG 332 Cb -0.06 0.17 -0.09 0.00 0.52 0.00 0.00 34.95 35.49 3cik s ARG 332 CO 0.17 -0.10 0.99 0.42 0.02 0.00 0.00 175.30 176.81 3cik s ILE 333 N -1.29 3.96 0.00 1.52 1.01 -0.47 -1.59 121.20 124.34 3cik s ILE 333 Ca -0.14 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3cik s ILE 333 Cb -0.08 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3cik s ILE 333 CO 0.01 0.22 0.00 -0.24 0.00 0.00 0.00 174.94 174.93 3cik n SER 334 N 0.71 0.00 -4.58 3.58 2.88 0.51 0.06 113.62 116.79 3cik n SER 334 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 3cik n SER 334 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3cik n SER 334 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3cik s ASP 335 N 0.34 6.29 0.00 -3.46 -1.08 -1.26 -4.72 116.67 112.77 3cik s ASP 335 Ca 0.00 0.33 0.17 0.00 -0.52 0.00 0.00 52.55 52.53 3cik s ASP 335 Cb 0.00 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.66 3cik s ASP 335 CO 0.00 -1.57 1.51 0.18 0.52 0.00 0.00 175.17 175.81 3cik n LEU 336 N 9.02 0.94 -0.16 -1.34 4.77 -1.26 -4.30 117.00 124.67 3cik n LEU 336 Ca 0.12 -0.41 0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3cik n LEU 336 Cb 0.49 -0.07 0.50 0.00 -2.33 0.00 0.00 43.42 42.01 3cik n LEU 336 CO 0.71 0.21 1.21 1.23 -1.33 0.00 0.00 177.39 179.42 3cik h GLY 337 N 5.28 0.72 -2.14 -0.72 0.00 -1.87 -2.32 103.07 102.01 3cik h GLY 337 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3cik h GLY 337 CO 0.00 0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3cik n LEU 338 N -4.48 3.26 -4.82 3.11 4.77 -1.26 -4.15 117.00 113.43 3cik n LEU 338 Ca 0.14 -1.38 -0.29 0.00 -0.03 0.00 0.00 56.01 54.45 3cik n LEU 338 Cb 0.52 -0.22 0.15 0.00 -2.33 0.00 0.00 43.42 41.54 3cik n LEU 338 CO 0.33 0.69 0.76 0.00 -1.33 0.00 0.00 177.39 177.83 3cik s ALA 339 N -1.56 1.92 -0.17 -1.18 0.00 -0.87 -4.68 121.76 115.21 3cik s ALA 339 Ca 0.37 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 3cik s ALA 339 Cb 0.22 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.46 3cik s ALA 339 CO 0.31 -2.35 0.41 0.00 0.00 0.00 0.00 175.76 174.13 3cik s ASP 341 N 1.48 6.65 -0.07 0.00 -1.08 -1.26 -0.58 116.67 121.81 3cik s ASP 341 Ca -0.09 2.31 0.12 0.00 -0.52 0.00 0.00 52.55 54.37 3cik s ASP 341 Cb -0.09 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.16 3cik s ASP 341 CO -0.13 -0.92 1.26 2.22 0.52 0.00 0.00 175.17 178.12 3cik n PHE 342 N 6.78 0.49 0.03 -5.34 1.16 -0.52 -4.79 117.46 115.27 3cik n PHE 342 Ca 0.17 -0.66 -0.12 0.00 -1.87 0.00 0.00 57.45 54.97 3cik n PHE 342 Cb 0.42 -0.13 -0.06 0.00 -1.61 0.00 0.00 39.48 38.10 3cik n PHE 342 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3cik h SER 343 N 1.45 0.02 0.00 5.98 4.64 -1.91 -3.41 113.55 120.32 3cik h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cik h SER 343 Cb 0.94 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3cik h SER 343 CO 0.07 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 3cik n LYS 344 N -5.08 0.00 -3.07 4.77 5.02 -1.26 -4.95 118.16 113.58 3cik n LYS 344 Ca -0.06 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 3cik n LYS 344 Cb 0.03 -0.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 3cik n LYS 344 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cik s LYS 345 N -0.17 4.24 0.01 1.97 1.02 -1.26 -5.09 119.74 120.46 3cik s LYS 345 Ca 0.00 0.88 -0.11 0.00 0.02 0.00 0.00 55.97 56.76 3cik s LYS 345 Cb 0.00 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 3cik s LYS 345 CO 0.00 0.34 0.36 0.15 -0.92 0.00 0.00 175.35 175.28 3cik s LYS 346 N -2.16 3.77 0.88 1.68 1.02 -1.26 -4.34 119.74 119.33 3cik s LYS 346 Ca 0.46 0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 3cik s LYS 346 Cb -0.16 -3.13 0.12 0.00 -0.52 0.00 0.00 37.83 34.15 3cik s LYS 346 CO 0.20 0.66 1.16 -1.25 -0.92 0.00 0.00 175.35 175.20 3cik s PRO 347 N -1.42 1.39 0.00 -1.68 0.04 -1.25 -4.81 135.00 127.26 3cik s PRO 347 Ca 0.26 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.51 3cik s PRO 347 Cb -0.15 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3cik s PRO 347 CO 0.14 -2.01 0.00 -2.39 0.04 0.00 0.00 177.00 172.78 3cik n HIS 348 N -3.62 0.00 -1.61 0.56 1.44 -1.26 -1.72 115.22 109.00 3cik n HIS 348 Ca 0.07 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 3cik n HIS 348 Cb 0.60 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.78 3cik n HIS 348 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cik s ALA 349 N -0.29 2.31 -0.26 1.59 0.00 -1.26 -4.52 121.76 119.32 3cik s ALA 349 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 3cik s ALA 349 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3cik s ALA 349 CO 0.00 -1.54 1.46 0.45 0.00 0.00 0.00 175.76 176.13 3cik s SER 350 N -2.33 6.52 -0.12 0.00 0.15 -1.18 -4.84 113.70 111.91 3cik s SER 350 Ca 0.70 1.41 -0.05 0.00 0.70 0.00 0.00 55.95 58.70 3cik s SER 350 Cb -0.24 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3cik s SER 350 CO 0.43 -1.17 0.26 -0.69 1.20 0.00 0.00 173.24 173.27 3cik s VAL 351 N 4.80 -0.18 -5.00 4.45 1.01 -1.26 -5.05 120.40 119.17 3cik s VAL 351 Ca 0.64 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3cik s VAL 351 Cb -0.21 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3cik s VAL 351 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3cik n GLY 352 N 4.64 0.83 3.58 4.51 0.00 -1.26 -4.82 105.19 112.68 3cik n GLY 352 Ca -0.18 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3cik n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cik s THR 353 N -3.08 3.51 0.34 2.61 2.01 -1.26 -5.04 115.64 114.73 3cik s THR 353 Ca 0.00 -0.98 0.12 0.00 0.31 0.00 0.00 61.69 61.14 3cik s THR 353 Cb 0.00 -2.57 0.06 0.00 0.01 0.00 0.00 72.50 70.00 3cik s THR 353 CO 0.00 0.28 1.76 0.45 -0.69 0.00 0.00 174.62 176.42 3cik h HIS 354 N 4.16 0.02 -0.01 4.92 -0.00 -1.99 -1.20 115.15 121.04 3cik h HIS 354 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 3cik h HIS 354 Cb 1.17 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 3cik h HIS 354 CO 0.58 0.45 0.00 0.41 -0.00 0.00 0.00 177.93 179.37 3cik n GLY 355 N -0.26 -0.86 0.00 2.45 0.00 -1.26 -4.27 105.19 100.99 3cik n GLY 355 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3cik n GLY 355 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cik n TYR 356 N -0.71 0.00 -3.35 1.61 4.01 -0.46 -4.68 117.16 113.59 3cik n TYR 356 Ca 0.16 -0.07 -0.37 0.00 -0.16 0.00 0.00 57.90 57.47 3cik n TYR 356 Cb 0.11 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 3cik n TYR 356 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3cik s MET 357 N -0.13 4.06 0.61 -0.72 -1.94 -1.19 -3.95 119.30 116.04 3cik s MET 357 Ca 0.00 0.58 -0.16 0.00 -1.71 0.00 0.00 55.69 54.39 3cik s MET 357 Cb 0.00 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 3cik s MET 357 CO 0.00 0.58 1.10 0.00 -0.01 0.00 0.00 175.02 176.68 3cik s ALA 358 N -1.26 2.60 0.25 3.03 0.00 -1.26 -4.88 121.76 120.24 3cik s ALA 358 Ca 0.32 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3cik s ALA 358 Cb -0.17 -3.30 0.44 0.00 0.00 0.00 0.00 23.12 20.09 3cik s ALA 358 CO 0.18 -1.02 1.77 -1.35 0.00 0.00 0.00 175.76 175.35 3cik h PRO 359 N 0.42 0.61 0.00 0.00 0.11 -1.89 -0.47 132.00 130.78 3cik h PRO 359 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3cik h PRO 359 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3cik h PRO 359 CO 0.56 0.40 -0.24 1.05 -0.21 0.00 0.00 178.00 179.55 3cik h GLU 360 N 0.62 0.00 -0.04 1.05 9.09 -1.92 -2.06 114.58 121.32 3cik h GLU 360 Ca 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.78 3cik h GLU 360 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3cik h GLU 360 CO -0.32 0.24 -0.15 0.28 0.05 0.00 0.00 179.01 179.12 3cik h VAL 361 N 0.00 1.46 -0.41 -1.06 2.07 -1.40 -3.31 116.25 113.60 3cik h VAL 361 Ca -0.00 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 3cik h VAL 361 Cb 0.53 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3cik h VAL 361 CO 0.03 0.43 0.05 -0.07 0.02 0.00 0.00 177.57 178.04 3cik h LEU 362 N -0.37 0.60 -9.50 2.57 3.38 -1.12 -3.12 115.31 107.73 3cik h LEU 362 Ca -0.01 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 57.32 3cik h LEU 362 Cb 0.78 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3cik h LEU 362 CO 0.03 0.63 0.63 -1.10 0.09 0.00 0.00 178.44 178.72 3cik s GLN 363 N -5.07 4.39 -0.00 1.13 -0.21 -0.80 -4.73 119.66 114.37 3cik s GLN 363 Ca -0.08 1.89 -0.25 0.00 0.02 0.00 0.00 55.36 56.94 3cik s GLN 363 Cb 0.15 -3.31 -0.18 0.00 1.00 0.00 0.00 33.01 30.67 3cik s GLN 363 CO 0.78 -0.33 1.25 0.87 -2.12 0.00 0.00 175.29 175.74 3cik h LYS 364 N 6.82 -0.19 -0.03 2.91 1.79 -1.84 -3.07 116.57 122.96 3cik h LYS 364 Ca -0.42 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3cik h LYS 364 Cb 1.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3cik h LYS 364 CO 0.83 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.80 3cik n GLY 365 N -0.07 0.26 3.66 3.86 0.00 -1.26 -4.43 105.19 107.21 3cik n GLY 365 Ca -0.09 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3cik n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cik s VAL 366 N -1.98 5.04 0.79 1.61 1.01 -1.16 -5.01 120.40 120.68 3cik s VAL 366 Ca 0.36 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 3cik s VAL 366 Cb 0.21 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3cik s VAL 366 CO 0.32 0.13 1.09 0.00 0.00 0.00 0.00 175.10 176.65 3cik s ALA 367 N 1.80 2.30 0.20 5.51 0.00 -1.26 -4.50 121.76 125.81 3cik s ALA 367 Ca 0.28 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 3cik s ALA 367 Cb -0.16 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.90 3cik s ALA 367 CO 0.10 -1.67 0.73 1.52 0.00 0.00 0.00 175.76 176.44 3cik s TYR 368 N -3.16 -0.31 0.00 0.00 -0.85 -0.70 -4.91 117.35 107.42 3cik s TYR 368 Ca 0.60 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 3cik s TYR 368 Cb -0.14 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3cik s TYR 368 CO 0.54 -1.01 0.00 -0.40 -1.52 0.00 0.00 175.55 173.17 3cik n ASP 369 N -0.42 0.00 -0.20 -0.18 5.75 -1.26 -3.87 116.55 116.37 3cik n ASP 369 Ca -0.09 0.00 0.30 0.00 -0.01 0.00 0.00 54.79 54.99 3cik n ASP 369 Cb 0.61 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.43 3cik n ASP 369 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3cik h SER 370 N 0.00 0.00 -0.57 -1.12 4.64 -1.98 -2.92 113.55 111.59 3cik h SER 370 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 3cik h SER 370 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 3cik h SER 370 CO 0.00 0.00 0.09 -1.54 -0.87 0.00 0.00 176.83 174.51 3cik n SER 371 N -4.08 0.00 -0.19 4.97 3.41 -1.26 -0.22 113.62 116.25 3cik n SER 371 Ca 0.20 0.97 -0.00 0.00 -0.26 0.00 0.00 58.87 59.78 3cik n SER 371 Cb 1.06 -0.38 0.09 0.00 -0.26 0.00 0.00 64.21 64.71 3cik n SER 371 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cik h ALA 372 N 1.15 0.59 -0.40 7.33 0.00 -1.92 -2.77 119.26 123.24 3cik h ALA 372 Ca 0.38 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 3cik h ALA 372 Cb 0.86 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3cik h ALA 372 CO -0.51 -0.37 -0.11 -0.44 0.00 0.00 0.00 179.25 177.81 3cik h ASP 373 N 0.15 0.70 0.18 0.00 3.45 -0.86 -1.36 116.42 118.69 3cik h ASP 373 Ca 0.30 -0.20 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 3cik h ASP 373 Cb 0.46 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 3cik h ASP 373 CO -0.46 0.84 -0.42 -0.50 -1.57 0.00 0.00 179.24 177.14 3cik h TRP 374 N 0.65 0.37 -0.15 4.55 -0.00 -1.56 0.24 115.95 120.05 3cik h TRP 374 Ca 0.11 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.89 58.82 3cik h TRP 374 Cb 0.57 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 3cik h TRP 374 CO 0.03 0.68 -0.23 0.35 -0.00 0.00 0.00 178.44 179.27 3cik h PHE 375 N 0.26 0.51 -0.53 0.49 3.57 -1.43 -2.50 116.94 117.31 3cik h PHE 375 Ca 0.02 -0.18 0.11 0.00 3.53 0.00 0.00 57.97 61.45 3cik h PHE 375 Cb 0.85 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 3cik h PHE 375 CO 0.02 0.85 -0.02 0.77 -2.23 0.00 0.00 178.31 177.70 3cik h SER 376 N 0.03 -0.26 -0.91 0.41 0.02 -0.81 -1.05 113.55 110.98 3cik h SER 376 Ca 0.01 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3cik h SER 376 Cb 0.80 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 3cik h SER 376 CO 0.05 -0.10 0.60 0.25 -1.14 0.00 0.00 176.83 176.49 3cik h LEU 377 N 0.10 0.96 -0.05 5.07 5.85 -0.47 -0.70 115.31 126.07 3cik h LEU 377 Ca 0.27 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3cik h LEU 377 Cb 0.42 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3cik h LEU 377 CO -0.46 0.65 -0.22 1.23 -0.34 0.00 0.00 178.44 179.29 3cik h GLY 378 N 1.11 -0.29 1.00 3.75 0.00 -0.75 -1.19 103.07 106.71 3cik h GLY 378 Ca 0.37 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 3cik h GLY 378 CO -0.12 -0.19 0.41 0.00 0.00 0.00 0.00 176.54 176.64 3cik h MET 380 N 0.96 0.76 -0.20 0.00 -1.53 -1.04 -1.15 114.93 112.71 3cik h MET 380 Ca 0.25 -0.23 -0.11 0.00 -3.44 0.00 0.00 59.70 56.17 3cik h MET 380 Cb -0.02 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 3cik h MET 380 CO -0.05 0.81 -0.34 -0.07 0.14 0.00 0.00 176.91 177.41 3cik h LEU 381 N 0.61 0.44 -0.14 3.39 3.38 -1.03 -1.79 115.31 120.17 3cik h LEU 381 Ca 0.13 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3cik h LEU 381 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3cik h LEU 381 CO 0.02 0.75 0.07 0.15 0.09 0.00 0.00 178.44 179.52 3cik h PHE 382 N 0.36 0.14 -0.84 1.13 3.57 -1.09 -2.71 116.94 117.50 3cik h PHE 382 Ca 0.04 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.64 3cik h PHE 382 Cb 0.77 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 3cik h PHE 382 CO 0.02 0.08 0.49 -0.22 -2.23 0.00 0.00 178.31 176.46 3cik h LYS 383 N 0.16 0.81 -0.68 1.11 1.63 -0.84 -1.02 116.57 117.73 3cik h LYS 383 Ca 0.05 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 3cik h LYS 383 Cb 0.00 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 3cik h LYS 383 CO -0.03 0.53 0.28 -0.07 -3.45 0.00 0.00 179.45 176.71 3cik h LEU 384 N 0.83 0.91 0.00 5.20 3.38 -1.07 0.10 115.31 124.66 3cik h LEU 384 Ca 0.40 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 3cik h LEU 384 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3cik h LEU 384 CO -0.24 0.80 -1.06 -0.07 0.09 0.00 0.00 178.44 177.97 3cik h LEU 385 N 0.98 0.00 0.00 1.67 3.38 -1.11 -1.88 115.31 118.35 3cik h LEU 385 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3cik h LEU 385 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3cik h LEU 385 CO -0.02 0.91 -1.05 0.54 0.09 0.00 0.00 178.44 178.91 3cik n ARG 386 N -3.27 0.70 0.00 1.13 5.12 -0.44 -4.59 116.66 115.31 3cik n ARG 386 Ca -0.03 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3cik n ARG 386 Cb 0.92 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 3cik n ARG 386 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cik n GLY 387 N 2.53 1.53 3.15 -0.13 0.00 0.34 -5.02 105.19 107.60 3cik n GLY 387 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3cik n GLY 387 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3cik s HIS 388 N -2.33 0.16 0.50 1.61 -3.43 -1.25 -4.99 115.29 105.55 3cik s HIS 388 Ca 0.00 -0.47 -0.23 0.00 -0.80 0.00 0.00 55.06 53.55 3cik s HIS 388 Cb 0.00 -0.10 -0.07 0.00 -1.43 0.00 0.00 32.58 30.98 3cik s HIS 388 CO 0.00 -0.42 1.37 0.45 -2.00 0.00 0.00 174.74 174.14 3cik n SER 389 N 0.53 2.89 0.30 7.38 2.88 -1.26 -3.58 113.62 122.75 3cik n SER 389 Ca -0.18 1.04 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 3cik n SER 389 Cb 0.60 -1.58 0.91 0.00 -0.75 0.00 0.00 64.21 63.39 3cik n SER 389 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3cik h PRO 390 N 1.82 0.00 -0.47 -1.46 0.13 -1.84 -1.99 132.00 128.19 3cik h PRO 390 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 3cik h PRO 390 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 3cik h PRO 390 CO 0.59 0.04 0.08 1.19 -0.23 0.00 0.00 178.00 179.67 3cik n PHE 391 N -3.37 1.63 -3.87 1.56 3.01 -1.26 -4.76 117.46 110.39 3cik n PHE 391 Ca -0.02 -1.04 -0.30 0.00 1.01 0.00 0.00 57.45 57.10 3cik n PHE 391 Cb 0.18 -0.49 -0.14 0.00 -0.01 0.00 0.00 39.48 39.02 3cik n PHE 391 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3cik s ARG 392 N -2.93 1.37 0.03 -1.08 3.52 -0.75 -4.37 118.95 114.75 3cik s ARG 392 Ca 0.49 -1.89 -0.19 0.00 -0.13 0.00 0.00 55.73 54.01 3cik s ARG 392 Cb 0.39 -2.76 -0.06 0.00 -1.56 0.00 0.00 34.95 30.97 3cik s ARG 392 CO 0.10 -1.04 0.54 -0.65 -0.81 0.00 0.00 175.30 173.44 3cik s GLN 393 N 0.68 4.18 -1.40 5.12 -1.52 -1.26 -4.50 119.66 120.95 3cik s GLN 393 Ca 0.14 0.66 -0.16 0.00 -1.95 0.00 0.00 55.36 54.04 3cik s GLN 393 Cb -0.21 -3.27 0.02 0.00 -0.22 0.00 0.00 33.01 29.33 3cik s GLN 393 CO -0.08 0.56 0.30 0.72 -0.25 0.00 0.00 175.29 176.54 3cik n HIS 394 N 2.08 -1.30 -3.47 0.91 8.25 -1.26 -2.79 115.22 117.64 3cik n HIS 394 Ca -0.10 0.36 -0.24 0.00 -0.26 0.00 0.00 57.72 57.48 3cik n HIS 394 Cb 0.51 -2.77 0.02 0.00 1.12 0.00 0.00 29.99 28.86 3cik n HIS 394 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3cik n LYS 395 N -4.82 -1.76 -4.01 -0.41 5.02 -1.26 -4.99 118.16 105.93 3cik n LYS 395 Ca -0.23 1.27 -0.31 0.00 -2.02 0.00 0.00 58.31 57.02 3cik n LYS 395 Cb 0.64 -3.12 -0.06 0.00 -0.02 0.00 0.00 35.03 32.47 3cik n LYS 395 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3cik s THR 396 N -2.41 4.85 -0.19 -0.18 -1.32 -1.12 -5.02 115.64 110.26 3cik s THR 396 Ca 0.17 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 60.09 3cik s THR 396 Cb -0.02 -3.33 0.01 0.00 -1.51 0.00 0.00 72.50 67.65 3cik s THR 396 CO 0.85 0.17 0.47 0.29 -2.21 0.00 0.00 174.62 174.19 3cik n LYS 397 N 0.53 0.53 -1.70 7.08 5.02 -1.26 -4.90 118.16 123.47 3cik n LYS 397 Ca -0.08 -0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 55.34 3cik n LYS 397 Cb 0.52 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 3cik n LYS 397 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cik s ASP 398 N -0.32 4.73 0.51 4.39 1.11 -1.26 -4.78 116.67 121.05 3cik s ASP 398 Ca 0.02 0.92 0.30 0.00 0.18 0.00 0.00 52.55 53.96 3cik s ASP 398 Cb 0.01 -2.51 1.25 0.00 1.07 0.00 0.00 42.92 42.74 3cik s ASP 398 CO 0.03 -2.69 1.95 0.11 1.18 0.00 0.00 175.17 175.75 3cik h LYS 399 N 18.04 0.00 0.00 8.23 1.57 -1.99 -1.15 116.57 141.27 3cik h LYS 399 Ca -0.25 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.37 3cik h LYS 399 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3cik h LYS 399 CO 1.16 0.09 -0.73 0.45 -0.57 0.00 0.00 179.45 179.86 3cik h HIS 400 N 0.00 0.00 0.29 -1.35 3.86 -1.99 -1.75 115.15 114.22 3cik h HIS 400 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3cik h HIS 400 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3cik h HIS 400 CO 0.00 0.73 -0.14 0.93 0.86 0.00 0.00 177.93 180.31 3cik h GLU 401 N 0.00 -0.38 -0.70 2.45 5.08 -1.80 -2.58 114.58 116.65 3cik h GLU 401 Ca -0.01 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 3cik h GLU 401 Cb 1.34 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 3cik h GLU 401 CO 0.09 -0.06 0.05 0.82 -1.00 0.00 0.00 179.01 178.91 3cik h ILE 402 N -0.95 0.44 -0.78 3.13 2.04 -1.30 0.21 117.51 120.30 3cik h ILE 402 Ca -0.04 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3cik h ILE 402 Cb 0.50 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3cik h ILE 402 CO 0.07 0.03 0.50 0.44 0.00 0.00 0.00 178.15 179.18 3cik h ASP 403 N 0.15 0.92 -0.37 1.72 3.32 -1.42 -2.18 116.42 118.56 3cik h ASP 403 Ca 0.38 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3cik h ASP 403 Cb 0.64 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3cik h ASP 403 CO -0.57 0.68 0.12 -0.09 -1.72 0.00 0.00 179.24 177.66 3cik h ARG 404 N 1.06 0.58 -0.18 3.56 2.43 -0.60 -1.59 114.38 119.64 3cik h ARG 404 Ca 0.28 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3cik h ARG 404 Cb -0.09 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3cik h ARG 404 CO -0.06 0.59 0.01 0.52 -1.51 0.00 0.00 179.97 179.52 3cik h MET 405 N 0.45 0.07 -0.58 0.20 2.86 -1.02 -0.43 114.93 116.48 3cik h MET 405 Ca 0.12 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3cik h MET 405 Cb 0.25 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.78 3cik h MET 405 CO -0.00 0.05 -0.30 1.15 1.06 0.00 0.00 176.91 178.86 3cik h THR 406 N 0.07 0.21 0.00 2.22 2.02 -1.16 0.46 112.91 116.73 3cik h THR 406 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3cik h THR 406 Cb 0.09 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3cik h THR 406 CO -0.13 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.69 3cik h LEU 407 N -0.14 0.00 0.00 2.58 3.38 -0.57 -3.39 115.31 117.17 3cik h LEU 407 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3cik h LEU 407 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3cik h LEU 407 CO -0.66 0.00 -0.42 0.35 0.09 0.00 0.00 178.44 177.80 3cik n THR 408 N -3.07 0.00 -3.63 0.22 -2.24 -0.24 -5.09 114.28 100.23 3cik n THR 408 Ca 0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 3cik n THR 408 Cb 0.37 0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 3cik n THR 408 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3cik s MET 409 N -0.99 4.21 0.10 -0.78 0.00 0.15 -5.04 119.30 116.96 3cik s MET 409 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 55.69 55.30 3cik s MET 409 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 34.83 31.32 3cik s MET 409 CO 0.00 0.25 1.41 0.00 0.00 0.00 0.00 175.02 176.68 3cik s ALA 410 N 0.47 3.60 -0.01 4.11 0.00 -1.26 -4.80 121.76 123.87 3cik s ALA 410 Ca 0.12 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 3cik s ALA 410 Cb -0.12 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3cik s ALA 410 CO 0.01 -0.67 1.31 0.08 0.00 0.00 0.00 175.76 176.49 3cik s VAL 411 N 1.30 3.93 -1.01 0.00 1.01 -1.26 -4.95 120.40 119.43 3cik s VAL 411 Ca 0.65 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3cik s VAL 411 Cb -0.37 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.29 3cik s VAL 411 CO 0.30 0.01 1.28 -0.70 0.00 0.00 0.00 175.10 175.99 3cik s GLU 412 N 2.18 3.68 -0.09 2.72 2.12 -1.26 -4.99 118.70 123.06 3cik s GLU 412 Ca 0.60 -1.72 -0.30 0.00 0.36 0.00 0.00 54.97 53.92 3cik s GLU 412 Cb -0.29 -5.08 -0.03 0.00 0.26 0.00 0.00 34.13 28.99 3cik s GLU 412 CO 0.25 -1.91 1.28 -0.51 -0.54 0.00 0.00 175.26 173.83 3cik s LEU 413 N 3.21 4.25 0.86 2.70 1.43 -1.26 -5.00 118.68 124.87 3cik s LEU 413 Ca 0.38 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 3cik s LEU 413 Cb -0.03 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.76 3cik s LEU 413 CO -0.07 -0.69 1.14 -2.84 0.23 0.00 0.00 176.35 174.12 3cik s PRO 414 N 2.80 1.40 0.19 1.29 0.02 -1.26 -4.96 135.00 134.48 3cik s PRO 414 Ca 0.58 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.99 3cik s PRO 414 Cb -0.25 -1.77 0.12 0.00 0.02 0.00 0.00 34.50 32.61 3cik s PRO 414 CO 0.20 -2.34 1.78 -0.44 -0.33 0.00 0.00 177.00 175.87 3cik h ASP 415 N -1.54 0.91 0.26 2.53 5.19 -2.02 -2.98 116.42 118.76 3cik h ASP 415 Ca -0.44 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 55.82 3cik h ASP 415 Cb 1.26 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 3cik h ASP 415 CO 0.44 0.79 -0.10 0.77 -3.12 0.00 0.00 179.24 178.03 3cik h SER 416 N 0.96 0.00 -3.11 6.45 4.64 -2.04 -3.43 113.55 117.02 3cik h SER 416 Ca 0.24 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.99 3cik h SER 416 Cb 0.13 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.31 3cik h SER 416 CO -0.03 0.10 0.65 0.49 -0.87 0.00 0.00 176.83 177.16 3cik n PHE 417 N -3.75 2.42 -1.67 4.77 0.99 -1.13 -4.98 117.46 114.11 3cik n PHE 417 Ca -0.02 0.44 -0.33 0.00 -0.00 0.00 0.00 57.45 57.53 3cik n PHE 417 Cb 0.20 -2.48 0.06 0.00 -1.00 0.00 0.00 39.48 36.26 3cik n PHE 417 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3cik s SER 418 N 0.10 4.93 0.42 4.37 1.04 -1.26 -4.85 113.70 118.45 3cik s SER 418 Ca 0.62 2.02 0.15 0.00 0.48 0.00 0.00 55.95 59.22 3cik s SER 418 Cb -0.58 -2.55 1.02 0.00 0.10 0.00 0.00 66.02 64.01 3cik s SER 418 CO 0.55 -1.75 1.92 -0.65 0.98 0.00 0.00 173.24 174.28 3cik h PRO 419 N -0.13 0.44 -0.41 4.02 0.11 -1.94 -1.94 132.00 132.16 3cik h PRO 419 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3cik h PRO 419 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3cik h PRO 419 CO 0.53 0.29 0.17 0.93 -0.21 0.00 0.00 178.00 179.71 3cik h GLU 420 N 0.45 0.61 -0.29 1.05 3.07 -1.92 -1.53 114.58 116.02 3cik h GLU 420 Ca 0.37 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3cik h GLU 420 Cb 0.80 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3cik h GLU 420 CO -0.12 0.56 0.09 1.25 -1.40 0.00 0.00 179.01 179.38 3cik h LEU 421 N 0.52 0.43 -0.07 1.33 5.85 -1.77 -1.99 115.31 119.60 3cik h LEU 421 Ca 0.14 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3cik h LEU 421 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3cik h LEU 421 CO -0.01 0.53 -0.11 0.03 -0.34 0.00 0.00 178.44 178.53 3cik h ARG 422 N 0.31 -0.16 -0.60 1.25 3.08 -1.28 0.12 114.38 117.10 3cik h ARG 422 Ca 0.09 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.24 3cik h ARG 422 Cb 0.26 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 3cik h ARG 422 CO -0.00 -0.10 -0.46 1.03 -1.07 0.00 0.00 179.97 179.37 3cik h SER 423 N -0.16 -1.58 -0.31 7.04 0.87 -1.06 0.13 113.55 118.48 3cik h SER 423 Ca 0.07 0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 3cik h SER 423 Cb 0.25 0.71 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 3cik h SER 423 CO -0.17 -0.34 0.13 0.25 -0.53 0.00 0.00 176.83 176.18 3cik h LEU 424 N -0.23 0.17 -0.29 2.23 5.85 -0.59 -1.34 115.31 121.11 3cik h LEU 424 Ca 0.17 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 3cik h LEU 424 Cb 0.56 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3cik h LEU 424 CO -0.70 0.13 -0.86 -0.07 -0.34 0.00 0.00 178.44 176.60 3cik h LEU 425 N 0.28 0.37 -0.99 2.25 3.38 -0.21 -1.34 115.31 119.04 3cik h LEU 425 Ca 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3cik h LEU 425 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3cik h LEU 425 CO -0.12 1.07 0.44 -0.33 0.09 0.00 0.00 178.44 179.58 3cik h GLU 426 N 0.17 1.14 0.41 1.13 5.08 -0.72 -1.79 114.58 120.00 3cik h GLU 426 Ca -0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3cik h GLU 426 Cb 1.48 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3cik h GLU 426 CO 0.14 0.85 -0.23 0.78 -1.00 0.00 0.00 179.01 179.55 3cik h GLY 427 N 1.17 -0.62 1.62 -3.84 0.00 -0.74 -2.91 103.07 97.75 3cik h GLY 427 Ca 0.29 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.72 3cik h GLY 427 CO -0.04 -0.23 -0.54 1.41 0.00 0.00 0.00 176.54 177.14 3cik h LEU 428 N -0.59 0.44 -2.20 3.11 3.38 -1.18 -2.40 115.31 115.87 3cik h LEU 428 Ca -0.05 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3cik h LEU 428 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3cik h LEU 428 CO 0.07 0.89 0.00 0.18 0.09 0.00 0.00 178.44 179.67 3cik n LEU 429 N -3.94 3.31 -4.64 1.67 4.77 -0.68 -3.73 117.00 113.76 3cik n LEU 429 Ca -0.03 -1.67 -0.43 0.00 -0.03 0.00 0.00 56.01 53.86 3cik n LEU 429 Cb 0.58 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3cik n LEU 429 CO 0.45 0.57 1.58 -1.58 -1.33 0.00 0.00 177.39 177.08 3cik s GLN 430 N -1.74 3.78 0.50 3.23 2.00 -1.10 -4.87 119.66 121.46 3cik s GLN 430 Ca 0.34 2.15 0.17 0.00 -2.00 0.00 0.00 55.36 56.02 3cik s GLN 430 Cb 0.22 -4.17 1.23 0.00 0.80 0.00 0.00 33.01 31.10 3cik s GLN 430 CO 0.16 -1.34 2.08 0.00 -0.50 0.00 0.00 175.29 175.69 3cik h ARG 431 N 11.70 0.10 -5.84 1.67 3.08 -1.90 -3.40 114.38 119.79 3cik h ARG 431 Ca -0.42 -0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.05 3cik h ARG 431 Cb 1.21 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 3cik h ARG 431 CO 0.96 0.07 0.13 -0.51 -1.07 0.00 0.00 179.97 179.55 3cik s ASP 432 N -6.72 6.83 0.30 7.04 1.01 -1.26 -4.81 116.67 119.06 3cik s ASP 432 Ca -0.06 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.21 3cik s ASP 432 Cb 0.18 -2.38 0.48 0.00 1.01 0.00 0.00 42.92 42.21 3cik s ASP 432 CO 0.70 -0.22 1.87 0.58 0.21 0.00 0.00 175.17 178.31 3cik h VAL 433 N 5.00 1.21 0.00 -1.27 2.07 -1.96 -1.74 116.25 119.57 3cik h VAL 433 Ca -0.35 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3cik h VAL 433 Cb 1.16 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3cik h VAL 433 CO 0.78 0.27 0.00 -0.46 0.02 0.00 0.00 177.57 178.18 3cik n ASN 434 N -4.31 0.00 -0.26 0.57 0.23 -1.26 -2.45 115.26 107.78 3cik n ASN 434 Ca 0.04 0.31 0.05 0.00 -0.53 0.00 0.00 54.58 54.45 3cik n ASN 434 Cb 0.20 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 3cik n ASN 434 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3cik n ARG 435 N -1.41 1.94 -3.38 -3.83 1.74 -0.71 -4.91 116.66 106.10 3cik n ARG 435 Ca 0.06 -0.66 -0.38 0.00 -0.77 0.00 0.00 57.85 56.10 3cik n ARG 435 Cb 0.18 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3cik n ARG 435 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3cik s ARG 436 N -1.42 4.06 0.20 5.56 3.52 -0.87 -4.94 118.95 125.05 3cik s ARG 436 Ca 0.09 0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.96 3cik s ARG 436 Cb 0.09 -3.20 -0.11 0.00 -1.56 0.00 0.00 34.95 30.17 3cik s ARG 436 CO 0.27 0.64 1.62 -0.51 -0.81 0.00 0.00 175.30 176.52 3cik s LEU 437 N -1.20 4.37 0.00 -0.88 1.43 -0.91 -1.60 118.68 119.89 3cik s LEU 437 Ca 0.28 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 3cik s LEU 437 Cb -0.18 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3cik s LEU 437 CO 0.17 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.47 3cik n GLY 438 N 3.58 1.21 0.20 -3.19 0.00 -1.26 -4.75 105.19 100.98 3cik n GLY 438 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3cik n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cik n LEU 440 N -0.84 4.33 0.00 0.00 4.77 -1.24 -4.77 117.00 119.24 3cik n LEU 440 Ca 0.11 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 3cik n LEU 440 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3cik n LEU 440 CO 0.03 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3cik n GLY 441 N 1.08 0.79 0.45 -0.72 0.00 -1.26 -4.94 105.19 100.59 3cik n GLY 441 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 3cik n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cik n ARG 442 N 0.00 1.43 0.00 1.61 1.74 -1.26 -5.08 116.66 115.10 3cik n ARG 442 Ca 0.00 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.63 3cik n ARG 442 Cb 0.00 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3cik n ARG 442 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cik n GLY 443 N 0.46 2.74 0.37 -0.13 0.00 -1.25 -2.90 105.19 104.47 3cik n GLY 443 Ca 0.07 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3cik n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cik h ALA 444 N -0.79 1.72 -0.83 4.61 0.00 -1.95 -2.15 119.26 119.88 3cik h ALA 444 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3cik h ALA 444 Cb 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3cik h ALA 444 CO 0.00 0.04 0.54 0.37 0.00 0.00 0.00 179.25 180.20 3cik h GLN 445 N 0.80 0.73 -0.58 0.00 5.75 -1.94 0.85 115.11 120.72 3cik h GLN 445 Ca 0.47 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 3cik h GLN 445 Cb 0.64 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3cik h GLN 445 CO -0.23 0.49 0.31 0.93 -2.65 0.00 0.00 178.83 177.68 3cik h GLU 446 N 0.76 0.81 -0.10 1.69 5.08 -1.53 -1.66 114.58 119.63 3cik h GLU 446 Ca 0.39 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3cik h GLU 446 Cb 0.47 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3cik h GLU 446 CO -0.15 0.62 0.00 0.28 -1.00 0.00 0.00 179.01 178.76 3cik h VAL 447 N 0.78 1.24 -0.97 3.13 2.07 -1.18 -3.05 116.25 118.28 3cik h VAL 447 Ca 0.20 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 67.08 3cik h VAL 447 Cb 0.05 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3cik h VAL 447 CO -0.03 0.22 0.61 0.11 0.02 0.00 0.00 177.57 178.50 3cik h LYS 448 N -0.10 0.86 -0.37 1.57 1.57 -0.75 -0.21 116.57 119.13 3cik h LYS 448 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3cik h LYS 448 Cb 0.34 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3cik h LYS 448 CO 0.00 0.57 0.00 -0.85 -0.57 0.00 0.00 179.45 178.60 3cik n GLU 449 N -4.61 1.84 -1.71 3.15 0.28 -0.64 -4.71 120.64 114.24 3cik n GLU 449 Ca 0.19 -1.20 -0.38 0.00 -0.16 0.00 0.00 57.16 55.60 3cik n GLU 449 Cb 0.41 -1.30 0.05 0.00 1.43 0.00 0.00 31.44 32.02 3cik n GLU 449 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3cik n SER 450 N 0.45 2.19 0.11 -1.84 2.88 -0.09 -4.93 113.62 112.39 3cik n SER 450 Ca 0.11 0.93 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 3cik n SER 450 Cb 0.31 -1.53 0.46 0.00 -0.75 0.00 0.00 64.21 62.70 3cik n SER 450 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3cik n PRO 451 N -1.10 0.15 -0.03 -1.46 -0.04 -1.26 -2.08 135.00 129.19 3cik n PRO 451 Ca 0.12 0.42 -0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3cik n PRO 451 Cb 0.45 -1.82 0.29 0.00 -0.04 0.00 0.00 33.50 32.39 3cik n PRO 451 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3cik h PHE 452 N 0.00 0.61 -0.61 0.54 3.57 -1.92 -2.89 116.94 116.23 3cik h PHE 452 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3cik h PHE 452 Cb 0.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3cik h PHE 452 CO 0.00 0.55 0.00 1.19 -2.23 0.00 0.00 178.31 177.82 3cik n PHE 453 N -4.31 1.67 -0.33 0.41 3.72 -0.88 -4.62 117.46 113.12 3cik n PHE 453 Ca 0.02 -0.63 0.19 0.00 -0.05 0.00 0.00 57.45 56.98 3cik n PHE 453 Cb 0.21 -0.33 0.43 0.00 -0.94 0.00 0.00 39.48 38.85 3cik n PHE 453 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3cik h ARG 454 N 3.99 0.52 0.00 -1.08 9.65 -1.51 -1.53 114.38 124.42 3cik h ARG 454 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3cik h ARG 454 Cb 1.61 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 3cik h ARG 454 CO 0.32 0.35 0.00 -1.13 2.80 0.00 0.00 179.97 182.30 3cik n SER 455 N -4.74 0.16 -4.80 -3.80 3.41 -1.26 -4.87 113.62 97.71 3cik n SER 455 Ca 0.25 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 59.01 3cik n SER 455 Cb 0.76 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3cik n SER 455 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cik s LEU 456 N -3.31 4.37 -0.41 1.04 1.43 -0.58 -5.05 118.68 116.17 3cik s LEU 456 Ca 0.11 0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 53.71 3cik s LEU 456 Cb 0.15 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3cik s LEU 456 CO 0.45 0.23 0.80 -0.62 0.23 0.00 0.00 176.35 177.45 3cik s ASP 457 N -0.41 6.49 0.10 2.29 -1.08 -1.26 -4.96 116.67 117.84 3cik s ASP 457 Ca 0.21 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.60 3cik s ASP 457 Cb -0.15 -2.40 0.90 0.00 -1.46 0.00 0.00 42.92 39.81 3cik s ASP 457 CO 0.09 -0.85 1.70 0.79 0.52 0.00 0.00 175.17 177.42 3cik n TRP 458 N 6.64 0.36 -0.12 -5.34 7.02 -1.26 -1.38 117.44 123.36 3cik n TRP 458 Ca 0.03 0.13 -0.13 0.00 -1.02 0.00 0.00 57.50 56.51 3cik n TRP 458 Cb 0.48 -0.70 -0.03 0.00 -2.42 0.00 0.00 31.31 28.64 3cik n TRP 458 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 3cik h GLN 459 N 0.00 0.82 -0.53 -0.99 5.75 -1.99 -2.53 115.11 115.63 3cik h GLN 459 Ca 0.00 -0.41 -0.05 0.00 -0.15 0.00 0.00 58.65 58.04 3cik h GLN 459 Cb 0.43 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3cik h GLN 459 CO 0.00 1.04 0.12 0.52 -2.65 0.00 0.00 178.83 177.87 3cik h MET 460 N 0.61 0.82 -0.11 1.69 2.86 -1.64 -0.95 114.93 118.22 3cik h MET 460 Ca 0.07 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3cik h MET 460 Cb 0.86 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 3cik h MET 460 CO 0.07 0.74 0.07 0.28 1.06 0.00 0.00 176.91 179.14 3cik h VAL 461 N 0.79 1.03 -0.56 -2.22 2.07 -1.41 -2.34 116.25 113.61 3cik h VAL 461 Ca 0.17 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3cik h VAL 461 Cb 0.30 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3cik h VAL 461 CO -0.00 0.03 0.32 0.15 0.02 0.00 0.00 177.57 178.08 3cik h PHE 462 N 0.15 0.59 0.00 1.57 3.04 -0.93 -1.21 116.94 120.14 3cik h PHE 462 Ca 0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3cik h PHE 462 Cb -0.01 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.31 3cik h PHE 462 CO -0.07 0.31 0.00 1.28 -2.02 0.00 0.00 178.31 177.81 3cik n LEU 463 N -4.81 0.00 -3.53 0.59 4.77 -0.43 -4.88 117.00 108.71 3cik n LEU 463 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 3cik n LEU 463 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3cik n LEU 463 CO 0.30 0.00 0.06 0.00 -1.33 0.00 0.00 177.39 176.43 3cik n GLN 464 N -0.68 -6.16 -0.00 3.23 6.02 -0.46 -4.93 117.38 114.41 3cik n GLN 464 Ca 0.06 0.77 0.05 0.00 -0.01 0.00 0.00 57.00 57.87 3cik n GLN 464 Cb 0.03 -5.65 -0.07 0.00 1.02 0.00 0.00 30.24 25.57 3cik n GLN 464 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cik n LYS 465 N -4.23 2.29 -2.68 -1.09 4.76 -0.91 -4.94 118.16 111.36 3cik n LYS 465 Ca -0.27 -0.04 -0.36 0.00 -2.87 0.00 0.00 58.31 54.77 3cik n LYS 465 Cb 0.66 -1.10 -0.05 0.00 -1.84 0.00 0.00 35.03 32.70 3cik n LYS 465 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3cik s TYR 466 N -2.28 3.42 -0.17 2.13 1.51 -1.26 -4.99 117.35 115.70 3cik s TYR 466 Ca 0.01 1.68 -0.29 0.00 -1.01 0.00 0.00 57.07 57.46 3cik s TYR 466 Cb 0.08 -3.00 -0.00 0.00 -0.11 0.00 0.00 41.96 38.93 3cik s TYR 466 CO 0.44 -0.23 1.00 -1.25 -1.11 0.00 0.00 175.55 174.40 3cik s PRO 467 N -2.50 4.34 0.49 -1.71 0.04 -1.26 -5.01 135.00 129.38 3cik s PRO 467 Ca 0.56 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 3cik s PRO 467 Cb -0.18 -3.59 -0.07 0.00 0.04 0.00 0.00 34.50 30.70 3cik s PRO 467 CO 0.23 -0.46 1.40 -2.14 0.04 0.00 0.00 177.00 176.07 3cik s PRO 468 N 2.55 3.47 0.40 0.56 0.02 -1.26 -4.94 135.00 135.80 3cik s PRO 468 Ca 0.45 2.34 0.28 0.00 0.02 0.00 0.00 61.00 64.10 3cik s PRO 468 Cb -0.17 -2.50 0.99 0.00 0.02 0.00 0.00 34.50 32.85 3cik s PRO 468 CO 0.12 -0.96 1.81 -1.00 -0.33 0.00 0.00 177.00 176.64 3cik h PRO 469 N 1.99 0.00 -2.90 5.54 0.13 -1.92 -3.44 132.00 131.41 3cik h PRO 469 Ca -0.51 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 3cik h PRO 469 Cb 1.28 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.07 3cik h PRO 469 CO 0.60 0.00 -0.59 -1.17 -0.23 0.00 0.00 178.00 176.61 3cik s LEU 470 N -5.47 -0.19 -0.36 1.56 0.20 -1.26 -5.11 118.68 108.05 3cik s LEU 470 Ca 0.04 0.37 -0.15 0.00 0.69 0.00 0.00 54.13 55.09 3cik s LEU 470 Cb 0.09 0.49 -0.01 0.00 -0.43 0.00 0.00 46.19 46.33 3cik s LEU 470 CO 0.53 -0.25 0.32 -0.63 -0.29 0.00 0.00 176.35 176.02 3cik s ILE 471 N 2.36 5.22 0.57 6.68 1.01 -1.26 -4.23 121.20 131.54 3cik s ILE 471 Ca 0.03 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 3cik s ILE 471 Cb -0.13 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3cik s ILE 471 CO -0.08 -0.13 1.02 -2.65 0.00 0.00 0.00 174.94 173.10 3cik n PRO 472 N 5.27 1.07 0.00 2.79 -0.02 -1.26 -5.00 135.00 137.85 3cik n PRO 472 Ca -0.10 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3cik n PRO 472 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3cik n PRO 472 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3cik n PRO 473 N -0.83 0.00 -3.15 0.52 -0.04 -1.26 -5.02 135.00 125.22 3cik n PRO 473 Ca 0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 3cik n PRO 473 Cb 0.46 -0.20 -0.02 0.00 -0.04 0.00 0.00 33.50 33.70 3cik n PRO 473 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3cik s ARG 474 N 0.00 0.25 0.00 0.54 6.06 -1.26 -5.21 118.95 119.33 3cik s ARG 474 Ca 0.00 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.68 3cik s ARG 474 Cb 0.00 0.25 0.00 0.00 0.06 0.00 0.00 34.95 35.26 3cik s ARG 474 CO 0.00 -0.27 0.00 0.41 -2.50 0.00 0.00 175.30 172.94 3cik n GLY 475 N 5.46 -0.89 3.93 8.12 0.00 -1.26 -5.28 105.19 115.27 3cik n GLY 475 Ca -0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 3cik n GLY 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cik s THR 493 N -3.00 5.23 -0.36 2.61 -4.23 -1.26 -5.14 115.64 109.49 3cik s THR 493 Ca 0.00 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3cik s THR 493 Cb 0.00 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.25 3cik s THR 493 CO 0.00 -0.17 0.33 -0.54 -0.54 0.00 0.00 174.62 173.70 3cik s LYS 494 N -3.35 0.58 -0.27 3.99 1.02 -1.26 -4.92 119.74 115.54 3cik s LYS 494 Ca 0.38 -0.88 0.09 0.00 0.02 0.00 0.00 55.97 55.57 3cik s LYS 494 Cb -0.11 -0.84 0.45 0.00 -0.52 0.00 0.00 37.83 36.81 3cik s LYS 494 CO 0.29 -1.18 1.27 0.41 -0.92 0.00 0.00 175.35 175.22 3cik n GLY 495 N 4.32 5.58 3.27 -3.33 0.00 -1.26 -5.07 105.19 108.70 3cik n GLY 495 Ca 0.10 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 3cik n GLY 495 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cik s ILE 496 N -3.77 1.66 -0.05 -0.61 2.07 -1.26 -5.14 121.20 114.11 3cik s ILE 496 Ca 0.44 -1.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.28 3cik s ILE 496 Cb 0.39 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 3cik s ILE 496 CO -0.02 -0.01 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.31 3cik s LYS 497 N -1.72 2.46 -0.55 3.50 1.02 -1.26 -5.03 119.74 118.16 3cik s LYS 497 Ca 0.06 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.15 3cik s LYS 497 Cb -0.10 -2.35 0.10 0.00 -0.52 0.00 0.00 37.83 34.96 3cik s LYS 497 CO 0.04 0.62 0.61 -0.51 -0.92 0.00 0.00 175.35 175.18 3cik s LEU 498 N -0.73 5.51 0.50 3.17 1.43 -1.26 -5.05 118.68 122.25 3cik s LEU 498 Ca 0.11 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.78 3cik s LEU 498 Cb -0.11 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3cik s LEU 498 CO 0.00 -0.97 0.78 -0.76 0.23 0.00 0.00 176.35 175.63 3cik s LEU 499 N 2.33 3.52 0.27 1.79 1.43 -1.26 -4.98 118.68 121.77 3cik s LEU 499 Ca 0.09 0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3cik s LEU 499 Cb -0.24 -3.50 0.61 0.00 0.03 0.00 0.00 46.19 43.08 3cik s LEU 499 CO 0.07 -0.77 1.68 -0.78 0.23 0.00 0.00 176.35 176.78 3cik h ASP 500 N 0.17 0.12 -0.52 2.29 1.82 -2.02 -2.35 116.42 115.93 3cik h ASP 500 Ca -0.46 0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.26 3cik h ASP 500 Cb 1.24 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.42 3cik h ASP 500 CO 0.60 -0.05 0.02 -1.28 -1.61 0.00 0.00 179.24 176.92 3cik h SER 501 N 0.31 0.89 -0.80 2.28 0.87 -2.01 -3.21 113.55 111.87 3cik h SER 501 Ca 0.50 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3cik h SER 501 Cb 0.91 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 3cik h SER 501 CO -0.55 0.97 0.51 0.44 -0.53 0.00 0.00 176.83 177.67 3cik h ASP 502 N 0.78 0.83 0.46 6.23 3.32 -1.81 -2.16 116.42 124.08 3cik h ASP 502 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3cik h ASP 502 Cb 0.50 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3cik h ASP 502 CO 0.02 0.56 -0.17 1.56 -1.72 0.00 0.00 179.24 179.49 3cik h GLN 503 N 0.97 0.00 0.00 3.56 1.08 -1.55 -2.54 115.11 116.63 3cik h GLN 503 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3cik h GLN 503 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3cik h GLN 503 CO -0.13 0.17 0.00 1.49 -0.95 0.00 0.00 178.83 179.41 3cik h GLU 504 N 0.00 0.00 0.00 1.46 4.57 -1.44 -1.20 114.58 117.97 3cik h GLU 504 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3cik h GLU 504 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3cik h GLU 504 CO 0.02 0.00 0.00 -0.07 -1.18 0.00 0.00 179.01 177.78 3cik h LEU 505 N 0.00 0.00 -2.98 1.64 3.38 -1.53 -3.32 115.31 112.49 3cik h LEU 505 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cik h LEU 505 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cik h LEU 505 CO 0.00 0.00 -0.00 -1.22 0.09 0.00 0.00 178.44 177.31 3cik n TYR 506 N -2.30 0.00 -0.06 1.13 4.01 -0.45 -4.75 117.16 114.74 3cik n TYR 506 Ca 0.02 -0.84 -0.04 0.00 -0.16 0.00 0.00 57.90 56.89 3cik n TYR 506 Cb 0.26 -0.12 0.18 0.00 -0.31 0.00 0.00 39.34 39.36 3cik n TYR 506 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cik h ARG 507 N 0.00 0.67 -0.97 -0.72 3.08 -1.66 -2.81 114.38 111.98 3cik h ARG 507 Ca 0.00 -0.20 -0.56 0.00 0.07 0.00 0.00 59.98 59.29 3cik h ARG 507 Cb 0.85 -0.07 -0.30 0.00 0.08 0.00 0.00 29.97 30.54 3cik h ARG 507 CO 0.00 0.75 0.68 0.09 -1.07 0.00 0.00 179.97 180.42 3cik n ASN 508 N -4.19 5.00 0.04 7.04 3.02 -1.26 -4.55 115.26 120.36 3cik n ASN 508 Ca 0.01 -3.68 -0.22 0.00 -0.03 0.00 0.00 54.58 50.66 3cik n ASN 508 Cb 0.33 -0.87 -0.14 0.00 -0.61 0.00 0.00 39.78 38.49 3cik n ASN 508 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3cik h PHE 509 N 1.34 0.60 -3.40 3.10 3.57 -1.83 -3.47 116.94 116.86 3cik h PHE 509 Ca 0.61 -0.44 -0.56 0.00 3.53 0.00 0.00 57.97 61.11 3cik h PHE 509 Cb 2.13 -0.02 0.11 0.00 2.79 0.00 0.00 35.95 40.95 3cik h PHE 509 CO 1.51 1.72 0.59 -2.30 -2.23 0.00 0.00 178.31 177.61 3cik n PRO 510 N -3.53 2.27 -3.64 6.41 -0.02 -1.26 -4.68 135.00 130.55 3cik n PRO 510 Ca -0.28 0.80 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 3cik n PRO 510 Cb 1.06 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3cik n PRO 510 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3cik s LEU 511 N -1.14 0.13 -0.05 2.45 2.96 -0.59 -4.96 118.68 117.47 3cik s LEU 511 Ca 0.56 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3cik s LEU 511 Cb -0.55 1.89 0.03 0.00 0.50 0.00 0.00 46.19 48.06 3cik s LEU 511 CO 0.61 -0.55 0.04 -0.89 -1.32 0.00 0.00 176.35 174.24 3cik s THR 512 N -1.41 0.08 -0.49 3.68 2.01 -1.26 -0.87 115.64 117.38 3cik s THR 512 Ca -0.11 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 3cik s THR 512 Cb -0.02 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.22 3cik s THR 512 CO 0.06 0.21 0.99 -0.63 -0.69 0.00 0.00 174.62 174.56 3cik s ILE 513 N 2.05 4.37 0.17 1.82 1.01 -0.77 -4.91 121.20 124.93 3cik s ILE 513 Ca 0.04 0.74 -0.20 0.00 0.00 0.00 0.00 60.65 61.23 3cik s ILE 513 Cb -0.12 -4.51 0.09 0.00 0.01 0.00 0.00 42.46 37.92 3cik s ILE 513 CO -0.04 -0.97 1.63 -1.28 0.00 0.00 0.00 174.94 174.28 3cik h SER 514 N 9.20 -0.74 0.39 3.58 0.87 -1.99 -0.95 113.55 123.90 3cik h SER 514 Ca -0.24 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3cik h SER 514 Cb 1.07 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 3cik h SER 514 CO 1.07 -0.25 -0.18 1.05 -0.53 0.00 0.00 176.83 177.99 3cik h GLU 515 N -0.16 0.00 -0.18 2.24 4.11 -1.97 -1.42 114.58 117.20 3cik h GLU 515 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.58 3cik h GLU 515 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3cik h GLU 515 CO -0.48 0.18 -0.03 0.00 0.07 0.00 0.00 179.01 178.75 3cik h ARG 516 N 0.00 0.35 -0.35 1.06 2.47 -1.54 -1.58 114.38 114.79 3cik h ARG 516 Ca -0.00 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3cik h ARG 516 Cb 0.42 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3cik h ARG 516 CO 0.02 0.60 0.05 2.35 0.56 0.00 0.00 179.97 183.55 3cik h TRP 517 N 0.07 0.63 -0.63 3.04 7.01 -1.04 -0.02 115.95 125.01 3cik h TRP 517 Ca 0.05 -0.09 -0.06 0.00 2.11 0.00 0.00 58.89 60.89 3cik h TRP 517 Cb 0.46 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3cik h TRP 517 CO 0.05 0.65 0.14 1.96 -2.79 0.00 0.00 178.44 178.45 3cik h GLN 518 N 0.42 1.01 -0.28 2.65 4.20 -1.28 0.10 115.11 121.92 3cik h GLN 518 Ca 0.11 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 3cik h GLN 518 Cb 0.37 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3cik h GLN 518 CO 0.01 0.90 -0.09 0.37 -0.67 0.00 0.00 178.83 179.35 3cik h GLN 519 N 0.96 0.57 -0.10 1.46 5.75 -1.12 0.54 115.11 123.17 3cik h GLN 519 Ca 0.20 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3cik h GLN 519 Cb 0.36 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 3cik h GLN 519 CO 0.00 0.78 -0.40 1.49 -2.65 0.00 0.00 178.83 178.06 3cik h GLU 520 N 0.32 -0.47 -0.44 1.69 4.81 -0.67 -0.49 114.58 119.33 3cik h GLU 520 Ca 0.07 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3cik h GLU 520 Cb 0.59 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3cik h GLU 520 CO 0.03 -0.32 0.27 0.28 -0.73 0.00 0.00 179.01 178.55 3cik h VAL 521 N -0.49 1.14 -0.71 0.32 2.07 -0.69 -2.88 116.25 115.00 3cik h VAL 521 Ca 0.07 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.43 3cik h VAL 521 Cb 0.62 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 3cik h VAL 521 CO -0.37 0.14 0.23 0.00 0.02 0.00 0.00 177.57 177.59 3cik h ALA 522 N 1.13 0.96 -0.46 1.67 0.00 0.45 -2.45 119.26 120.56 3cik h ALA 522 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3cik h ALA 522 Cb -0.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cik h ALA 522 CO -0.03 -0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.10 3cik n GLU 523 N -5.07 2.16 0.00 0.00 0.28 -0.22 -4.58 120.64 113.20 3cik n GLU 523 Ca 0.13 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 3cik n GLU 523 Cb 0.41 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.87 3cik n GLU 523 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3cik n THR 524 N 0.96 0.00 0.35 3.84 -2.24 -0.96 -5.03 114.28 111.20 3cik n THR 524 Ca 0.17 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.99 3cik n THR 524 Cb 0.43 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3cik n THR 524 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cik n VAL 525 N -0.92 0.00 -0.10 2.28 0.24 -1.14 -4.76 118.33 113.93 3cik n VAL 525 Ca 0.00 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 61.86 3cik n VAL 525 Cb 0.00 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 3cik n VAL 525 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3cik h PHE 526 N 0.28 -1.04 -0.51 6.34 3.57 -1.72 0.25 116.94 124.11 3cik h PHE 526 Ca 0.00 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.65 3cik h PHE 526 Cb 0.20 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 3cik h PHE 526 CO 0.00 -0.29 0.08 -0.44 -2.23 0.00 0.00 178.31 175.43 3cik h ASP 527 N -0.21 -0.06 0.65 0.41 3.32 -1.85 0.53 116.42 119.21 3cik h ASP 527 Ca 0.05 0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3cik h ASP 527 Cb 0.34 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3cik h ASP 527 CO -0.38 -0.00 -0.66 0.71 -1.72 0.00 0.00 179.24 177.19 3cik h THR 528 N 0.21 1.47 0.02 0.35 1.35 -1.76 -2.53 112.91 112.02 3cik h THR 528 Ca 0.26 -2.25 -0.20 0.00 -0.55 0.00 0.00 66.41 63.67 3cik h THR 528 Cb 0.37 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 3cik h THR 528 CO -0.36 0.64 -0.95 0.40 -0.25 0.00 0.00 175.52 175.00 3cik h ILE 529 N 0.00 1.59 -0.37 6.82 2.04 -0.66 -2.46 117.51 124.47 3cik h ILE 529 Ca -0.01 -2.97 0.01 0.00 1.00 0.00 0.00 64.86 62.88 3cik h ILE 529 Cb 1.16 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.88 3cik h ILE 529 CO 0.09 0.86 0.24 0.78 0.00 0.00 0.00 178.15 180.11 3cik h ASN 530 N 0.04 0.41 -0.34 1.72 2.35 -0.75 -1.04 115.58 117.98 3cik h ASN 530 Ca -0.04 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 3cik h ASN 530 Cb 1.63 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.90 3cik h ASN 530 CO 0.13 0.30 -0.38 0.00 -1.65 0.00 0.00 177.43 175.83 3cik h ALA 531 N 1.14 0.50 -0.65 -0.83 0.00 -1.51 -1.45 119.26 116.46 3cik h ALA 531 Ca 0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3cik h ALA 531 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3cik h ALA 531 CO -0.04 0.60 0.34 1.49 0.00 0.00 0.00 179.25 181.65 3cik h GLU 532 N 0.65 0.91 0.00 0.00 4.81 -1.34 0.01 114.58 119.61 3cik h GLU 532 Ca 0.05 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3cik h GLU 532 Cb 0.98 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 3cik h GLU 532 CO 0.09 0.68 -0.68 1.79 -0.73 0.00 0.00 179.01 180.16 3cik h THR 533 N 0.91 0.11 -0.55 0.32 1.35 -1.09 -2.86 112.91 111.12 3cik h THR 533 Ca 0.23 -1.19 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 3cik h THR 533 Cb 0.05 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 3cik h THR 533 CO -0.04 0.06 0.12 0.44 -0.25 0.00 0.00 175.52 175.86 3cik h ASP 534 N 0.00 0.79 -0.23 5.36 3.32 -0.63 -0.97 116.42 124.06 3cik h ASP 534 Ca -0.02 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3cik h ASP 534 Cb 1.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3cik h ASP 534 CO 0.01 0.78 0.13 -0.09 -1.72 0.00 0.00 179.24 178.35 3cik h ARG 535 N 0.81 0.32 -0.27 3.56 2.43 -0.95 -2.46 114.38 117.82 3cik h ARG 535 Ca 0.18 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3cik h ARG 535 Cb 0.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3cik h ARG 535 CO 0.00 0.29 0.03 -0.07 -1.51 0.00 0.00 179.97 178.71 3cik h LEU 536 N 0.27 0.44 -0.60 3.80 3.38 -1.29 -2.58 115.31 118.73 3cik h LEU 536 Ca 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3cik h LEU 536 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3cik h LEU 536 CO -0.01 0.61 0.27 -0.33 0.09 0.00 0.00 178.44 179.07 3cik h GLU 537 N 0.26 0.88 -0.43 1.13 5.08 -1.16 0.12 114.58 120.46 3cik h GLU 537 Ca 0.08 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3cik h GLU 537 Cb 0.36 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3cik h GLU 537 CO 0.01 0.73 0.08 0.00 -1.00 0.00 0.00 179.01 178.83 3cik h ALA 538 N 1.11 1.33 -0.14 3.43 0.00 -1.44 -0.79 119.26 122.75 3cik h ALA 538 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3cik h ALA 538 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3cik h ALA 538 CO -0.02 0.47 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 3cik h ARG 539 N 0.64 0.46 -0.87 0.00 3.08 -0.98 0.20 114.38 116.90 3cik h ARG 539 Ca 0.14 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3cik h ARG 539 Cb 0.28 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3cik h ARG 539 CO 0.00 0.92 0.58 -0.22 -1.07 0.00 0.00 179.97 180.18 3cik h LYS 540 N 0.07 1.14 -0.53 0.04 3.64 -0.70 0.23 116.57 120.46 3cik h LYS 540 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3cik h LYS 540 Cb 0.91 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3cik h LYS 540 CO 0.07 0.76 0.15 -0.22 -2.27 0.00 0.00 179.45 177.94 3cik h LYS 541 N 1.18 0.83 -0.02 1.90 3.64 -1.08 -0.51 116.57 122.50 3cik h LYS 541 Ca 0.32 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3cik h LYS 541 Cb -0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3cik h LYS 541 CO -0.07 0.77 -0.35 0.00 -2.27 0.00 0.00 179.45 177.53 3cik h ALA 542 N 1.02 1.37 0.10 5.00 0.00 -0.26 -1.27 119.26 125.23 3cik h ALA 542 Ca 0.17 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 3cik h ALA 542 Cb 0.30 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3cik h ALA 542 CO -0.00 0.46 -1.18 -0.22 0.00 0.00 0.00 179.25 178.31 3cik h LYS 543 N 0.04 0.32 0.00 0.00 3.64 -0.42 -2.93 116.57 117.22 3cik h LYS 543 Ca 0.00 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 3cik h LYS 543 Cb 0.64 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3cik h LYS 543 CO 0.05 1.20 -0.25 -0.91 -2.27 0.00 0.00 179.45 177.27 3cik h ASN 544 N 0.12 0.00 -0.31 4.20 2.35 -1.01 -2.95 115.58 117.99 3cik h ASN 544 Ca -0.13 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 3cik h ASN 544 Cb 1.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.24 3cik h ASN 544 CO 0.20 0.25 -0.23 0.50 -1.65 0.00 0.00 177.43 176.50 3cik h LYS 545 N 0.00 0.70 -0.28 0.81 1.63 -1.16 0.17 116.57 118.43 3cik h LYS 545 Ca -0.00 -0.34 0.05 0.00 -0.85 0.00 0.00 60.65 59.51 3cik h LYS 545 Cb 0.65 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 3cik h LYS 545 CO 0.03 0.95 0.01 1.96 -3.45 0.00 0.00 179.45 178.95 3cik h GLN 546 N 0.45 0.09 -0.48 1.90 4.20 -1.47 -1.27 115.11 118.53 3cik h GLN 546 Ca 0.06 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.90 3cik h GLN 546 Cb 0.78 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3cik h GLN 546 CO 0.06 0.06 0.36 1.25 -0.67 0.00 0.00 178.83 179.89 3cik h LEU 547 N 0.09 0.00 -2.44 1.46 5.85 -1.45 -3.46 115.31 115.36 3cik h LEU 547 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3cik h LEU 547 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3cik h LEU 547 CO -0.22 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.49 3cik n GLY 548 N -1.61 -0.23 2.76 3.75 0.00 -0.48 -4.96 105.19 104.42 3cik n GLY 548 Ca 0.09 -0.26 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 3cik n GLY 548 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cik n HIS 549 N -0.65 0.67 -2.25 1.61 1.44 0.54 -4.81 115.22 111.77 3cik n HIS 549 Ca 0.00 0.84 -0.36 0.00 -2.01 0.00 0.00 57.72 56.19 3cik n HIS 549 Cb 0.24 -1.64 -0.04 0.00 0.12 0.00 0.00 29.99 28.67 3cik n HIS 549 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 3cik s GLU 550 N 0.45 2.93 -0.21 -1.40 2.12 -1.26 -4.90 118.70 116.43 3cik s GLU 550 Ca 0.73 -0.25 -0.18 0.00 0.36 0.00 0.00 54.97 55.63 3cik s GLU 550 Cb -1.02 -4.81 -0.08 0.00 0.26 0.00 0.00 34.13 28.48 3cik s GLU 550 CO 0.48 -2.73 0.82 0.39 -0.54 0.00 0.00 175.26 173.69 3cik n GLU 551 N 9.04 0.00 -1.24 4.30 1.02 -1.26 -4.49 120.64 128.01 3cik n GLU 551 Ca 0.27 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.92 3cik n GLU 551 Cb 0.50 -0.62 -0.07 0.00 -0.02 0.00 0.00 31.44 31.23 3cik n GLU 551 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3cik n ASP 552 N 2.72 0.57 0.00 1.62 2.03 -1.26 -4.77 116.55 117.45 3cik n ASP 552 Ca 0.20 0.88 0.05 0.00 0.52 0.00 0.00 54.79 56.44 3cik n ASP 552 Cb -0.02 -0.67 0.22 0.00 -0.72 0.00 0.00 41.12 39.93 3cik n ASP 552 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cik n TYR 553 N 2.31 0.00 0.29 -0.67 9.36 -1.26 -2.72 117.16 124.47 3cik n TYR 553 Ca 0.20 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.54 3cik n TYR 553 Cb -0.01 -0.47 0.11 0.00 -0.63 0.00 0.00 39.34 38.35 3cik n TYR 553 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cik h ALA 554 N 2.37 0.66 -2.32 2.98 0.00 -1.98 -3.47 119.26 117.50 3cik h ALA 554 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3cik h ALA 554 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3cik h ALA 554 CO 0.00 0.00 0.11 -0.51 0.00 0.00 0.00 179.25 178.85 3cik s LEU 555 N -5.19 3.78 0.00 0.00 1.43 -1.10 -4.22 118.68 113.38 3cik s LEU 555 Ca 0.04 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3cik s LEU 555 Cb 0.10 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3cik s LEU 555 CO 0.73 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3cik n GLY 556 N -1.52 0.79 0.00 -3.19 0.00 -1.26 -4.97 105.19 95.04 3cik n GLY 556 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3cik n GLY 556 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cik n LYS 557 N -2.14 2.86 -0.89 1.61 5.02 -1.26 -5.06 118.16 118.30 3cik n LYS 557 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 3cik n LYS 557 Cb 0.01 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.18 3cik n LYS 557 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cik n ASP 558 N 0.00 1.70 -4.66 4.39 3.85 -1.26 -5.05 116.55 115.52 3cik n ASP 558 Ca 0.00 -3.46 -0.50 0.00 -0.71 0.00 0.00 54.79 50.12 3cik n ASP 558 Cb 0.00 -0.47 -0.05 0.00 -1.35 0.00 0.00 41.12 39.25 3cik n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3cik h ILE 560 N 4.30 1.18 -1.81 0.00 2.04 -1.18 -3.49 117.51 118.53 3cik h ILE 560 Ca -0.47 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 62.93 3cik h ILE 560 Cb 1.29 2.88 -0.21 0.00 -0.74 0.00 0.00 36.82 40.04 3cik h ILE 560 CO 0.89 0.73 0.35 -0.32 0.00 0.00 0.00 178.15 179.80 3cik s MET 561 N -2.48 0.85 0.07 2.37 0.00 -1.22 -5.04 119.30 113.86 3cik s MET 561 Ca -0.17 0.20 -0.08 0.00 0.00 0.00 0.00 55.69 55.64 3cik s MET 561 Cb 0.03 0.40 -0.01 0.00 0.00 0.00 0.00 34.83 35.26 3cik s MET 561 CO 0.80 -0.27 0.16 -3.38 0.00 0.00 0.00 175.02 172.34 3cik s HIS 562 N -1.18 0.18 -3.38 4.11 -3.43 -1.26 -1.42 115.29 108.91 3cik s HIS 562 Ca -0.07 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 3cik s HIS 562 Cb -0.00 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 3cik s HIS 562 CO 0.06 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 172.71 3cik n GLY 563 N 0.11 -2.27 3.75 -1.38 0.00 -0.63 -4.33 105.19 100.45 3cik n GLY 563 Ca -0.16 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 3cik n GLY 563 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cik s TYR 564 N -2.08 3.97 0.22 1.61 2.02 -1.26 -0.24 117.35 121.59 3cik s TYR 564 Ca 0.00 1.87 -0.11 0.00 -0.37 0.00 0.00 57.07 58.46 3cik s TYR 564 Cb 0.00 -2.95 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3cik s TYR 564 CO 0.00 0.46 0.41 -1.64 -1.57 0.00 0.00 175.55 173.21 3cik s MET 565 N -1.15 1.41 -0.04 -0.62 -1.94 -0.90 -4.64 119.30 111.42 3cik s MET 565 Ca 0.40 -1.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.21 3cik s MET 565 Cb -0.25 0.44 -0.01 0.00 2.01 0.00 0.00 34.83 37.01 3cik s MET 565 CO 0.31 -0.56 -0.22 -1.54 -0.01 0.00 0.00 175.02 173.00 3cik s SER 566 N -3.01 2.66 0.51 3.03 1.04 -0.30 -1.10 113.70 116.53 3cik s SER 566 Ca 0.22 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.29 3cik s SER 566 Cb 0.01 -0.62 0.04 0.00 0.10 0.00 0.00 66.02 65.55 3cik s SER 566 CO 0.06 0.22 0.61 -1.59 0.98 0.00 0.00 173.24 173.53 3cik s LYS 567 N -0.19 2.45 0.03 4.02 -2.85 -0.68 -0.44 119.74 122.08 3cik s LYS 567 Ca -0.00 -1.60 -0.00 0.00 -1.00 0.00 0.00 55.97 53.36 3cik s LYS 567 Cb -0.12 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 3cik s LYS 567 CO 0.02 -0.58 0.04 -0.12 0.10 0.00 0.00 175.35 174.81 3cik n MET 568 N -1.97 0.06 -1.55 1.78 1.56 -1.12 -1.56 117.12 114.32 3cik n MET 568 Ca 0.09 -0.18 -0.30 0.00 -0.27 0.00 0.00 57.70 57.04 3cik n MET 568 Cb 0.61 0.19 0.07 0.00 2.15 0.00 0.00 33.22 36.24 3cik n MET 568 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3cik s THR 574 N -2.66 3.53 -0.37 1.12 2.01 -1.26 -4.28 115.64 113.74 3cik s THR 574 Ca 0.02 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 3cik s THR 574 Cb -0.00 -3.24 0.25 0.00 0.01 0.00 0.00 72.50 69.52 3cik s THR 574 CO 0.01 -0.65 1.11 0.00 -0.69 0.00 0.00 174.62 174.40 3cik n GLN 575 N -3.29 0.24 -2.33 4.92 6.02 -1.26 -5.13 117.38 116.55 3cik n GLN 575 Ca 0.07 -0.97 -0.43 0.00 -0.01 0.00 0.00 57.00 55.66 3cik n GLN 575 Cb 0.55 -0.40 -0.02 0.00 1.02 0.00 0.00 30.24 31.39 3cik n GLN 575 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3cik s TRP 576 N 0.50 2.55 -0.40 1.08 0.23 -1.26 -4.87 118.94 116.76 3cik s TRP 576 Ca 0.27 0.79 -0.04 0.00 -2.03 0.00 0.00 56.10 55.09 3cik s TRP 576 Cb 0.17 -3.85 0.10 0.00 0.03 0.00 0.00 33.47 29.93 3cik s TRP 576 CO -0.11 -2.08 0.20 -0.65 0.96 0.00 0.00 176.95 175.27 3cik s GLN 577 N 4.15 2.09 -0.02 4.98 -0.21 -0.60 -4.91 119.66 125.14 3cik s GLN 577 Ca 0.60 -1.76 -0.30 0.00 0.02 0.00 0.00 55.36 53.93 3cik s GLN 577 Cb -0.20 -3.59 -0.06 0.00 1.00 0.00 0.00 33.01 30.16 3cik s GLN 577 CO 0.23 -1.04 1.56 0.50 -2.12 0.00 0.00 175.29 174.42 3cik s ARG 578 N 1.18 4.22 0.17 2.91 3.52 -1.26 -1.68 118.95 128.01 3cik s ARG 578 Ca 0.07 2.12 0.02 0.00 -0.13 0.00 0.00 55.73 57.80 3cik s ARG 578 Cb -0.23 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 3cik s ARG 578 CO -0.03 -0.74 0.01 1.03 -0.81 0.00 0.00 175.30 174.76 3cik s ARG 579 N 3.26 1.11 -0.21 5.12 1.81 -0.26 -4.90 118.95 124.89 3cik s ARG 579 Ca 0.70 -1.54 -0.10 0.00 -1.72 0.00 0.00 55.73 53.07 3cik s ARG 579 Cb -0.33 -0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 33.88 3cik s ARG 579 CO 0.28 -0.15 0.12 -0.47 -0.68 0.00 0.00 175.30 174.41 3cik s TYR 580 N -3.69 3.35 -0.04 -0.53 6.14 -0.52 -2.11 117.35 119.95 3cik s TYR 580 Ca 0.25 0.25 0.02 0.00 0.64 0.00 0.00 57.07 58.22 3cik s TYR 580 Cb 0.06 -2.17 -0.03 0.00 0.42 0.00 0.00 41.96 40.24 3cik s TYR 580 CO 0.04 0.20 -0.07 -0.06 0.64 0.00 0.00 175.55 176.30 3cik s PHE 581 N 0.55 2.91 -0.09 4.97 0.08 0.67 -1.19 117.98 125.88 3cik s PHE 581 Ca 0.07 -0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.16 3cik s PHE 581 Cb -0.12 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3cik s PHE 581 CO 0.00 0.34 -0.23 0.71 -0.10 0.00 0.00 175.22 175.93 3cik s TYR 582 N -0.87 2.49 -0.17 0.36 1.51 -0.78 -1.60 117.35 118.30 3cik s TYR 582 Ca 0.14 -1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 55.13 3cik s TYR 582 Cb -0.11 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3cik s TYR 582 CO 0.03 -0.40 0.07 -1.17 -1.11 0.00 0.00 175.55 172.98 3cik s LEU 583 N 0.31 3.89 0.26 -1.29 2.96 -0.50 -0.38 118.68 123.93 3cik s LEU 583 Ca -0.17 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3cik s LEU 583 Cb -0.18 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 3cik s LEU 583 CO 0.08 0.22 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.86 3cik s PHE 584 N 0.08 1.98 0.56 5.38 0.40 0.12 -0.58 117.98 125.93 3cik s PHE 584 Ca 0.06 -0.57 0.24 0.00 -0.60 0.00 0.00 56.93 56.06 3cik s PHE 584 Cb -0.12 -1.02 1.61 0.00 0.51 0.00 0.00 43.02 44.00 3cik s PHE 584 CO 0.01 0.41 2.22 -1.35 0.70 0.00 0.00 175.22 177.21 3cik h PRO 585 N 2.34 0.00 -0.08 0.24 0.11 -1.96 -2.80 132.00 129.84 3cik h PRO 585 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3cik h PRO 585 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3cik h PRO 585 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 3cik n ASN 586 N -4.11 2.04 -3.62 -2.05 6.94 -1.26 -4.61 115.26 108.58 3cik n ASN 586 Ca -0.03 -1.78 -0.04 0.00 -0.02 0.00 0.00 54.58 52.71 3cik n ASN 586 Cb 0.08 -0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.43 3cik n ASN 586 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cik s ARG 587 N -0.82 0.76 -0.12 -3.83 1.70 -1.06 -2.65 118.95 112.93 3cik s ARG 587 Ca 0.07 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 54.96 3cik s ARG 587 Cb 0.04 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.74 3cik s ARG 587 CO 0.05 -0.34 -0.05 -1.17 -1.08 0.00 0.00 175.30 172.71 3cik s LEU 588 N -2.67 1.14 0.35 -1.89 2.96 0.20 0.15 118.68 118.92 3cik s LEU 588 Ca 0.10 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3cik s LEU 588 Cb 0.00 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 3cik s LEU 588 CO -0.04 -0.16 0.32 -1.61 -1.32 0.00 0.00 176.35 173.54 3cik s GLU 589 N 1.76 2.72 0.07 1.98 2.02 0.49 -0.77 118.70 126.97 3cik s GLU 589 Ca 0.04 -1.31 -0.16 0.00 0.02 0.00 0.00 54.97 53.56 3cik s GLU 589 Cb -0.13 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.64 3cik s GLU 589 CO -0.07 0.05 0.36 1.67 0.02 0.00 0.00 175.26 177.28 3cik s TRP 590 N -2.32 -0.17 0.10 1.61 -2.14 -0.94 -1.87 118.94 113.21 3cik s TRP 590 Ca 0.42 -0.01 0.03 0.00 2.66 0.00 0.00 56.10 59.21 3cik s TRP 590 Cb -0.06 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.45 3cik s TRP 590 CO 0.27 -0.59 -0.09 -0.98 -2.66 0.00 0.00 176.95 172.91 3cik s ARG 591 N -2.99 0.82 0.00 3.25 1.70 -0.33 -3.79 118.95 117.61 3cik s ARG 591 Ca -0.02 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 3cik s ARG 591 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 33.98 3cik s ARG 591 CO -0.06 0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 3cik n GLY 592 N 0.40 -0.29 3.82 3.88 0.00 -1.26 -1.44 105.19 110.29 3cik n GLY 592 Ca -0.15 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 3cik n GLY 592 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cik s GLU 593 N -0.83 4.12 0.00 1.61 0.41 -1.26 -4.21 118.70 118.55 3cik s GLU 593 Ca 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 3cik s GLU 593 Cb 0.00 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.11 3cik s GLU 593 CO 0.00 0.64 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 3cik n GLY 594 N 1.79 0.61 3.17 -1.39 0.00 -1.26 -5.04 105.19 103.08 3cik n GLY 594 Ca -0.11 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 3cik n GLY 594 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cik s GLU 595 N -0.57 0.68 0.58 1.61 -1.05 -1.26 -5.14 118.70 113.55 3cik s GLU 595 Ca 0.00 -0.66 -0.12 0.00 -0.15 0.00 0.00 54.97 54.05 3cik s GLU 595 Cb 0.00 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 3cik s GLU 595 CO 0.00 -0.19 0.99 0.00 0.95 0.00 0.00 175.26 177.01 3cik s ALA 596 N -2.59 3.12 0.18 -0.84 0.00 -1.26 -4.76 121.76 115.61 3cik s ALA 596 Ca -0.05 -0.06 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 3cik s ALA 596 Cb -0.01 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 19.94 3cik s ALA 596 CO -0.04 -0.54 1.64 -2.30 0.00 0.00 0.00 175.76 174.52 3cik n PRO 597 N -2.40 2.42 -0.10 0.00 -0.02 -1.26 -4.89 135.00 128.75 3cik n PRO 597 Ca 0.06 0.87 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 3cik n PRO 597 Cb 0.54 -2.67 0.11 0.00 -0.02 0.00 0.00 33.50 31.46 3cik n PRO 597 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3cik n GLN 598 N 3.61 1.85 -3.52 -0.52 6.02 -1.25 -5.00 117.38 118.58 3cik n GLN 598 Ca 0.16 -1.69 -0.12 0.00 -0.01 0.00 0.00 57.00 55.35 3cik n GLN 598 Cb 0.31 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.28 3cik n GLN 598 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3cik s SER 599 N -0.99 -0.43 0.38 1.08 1.04 -1.26 -5.10 113.70 108.41 3cik s SER 599 Ca 0.20 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.41 3cik s SER 599 Cb 0.11 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.82 3cik s SER 599 CO 0.16 -0.88 0.77 -1.48 0.98 0.00 0.00 173.24 172.79 3cik s LEU 600 N -2.60 0.03 -0.03 2.42 0.05 -1.26 -2.21 118.68 115.08 3cik s LEU 600 Ca 0.00 -1.12 0.03 0.00 0.05 0.00 0.00 54.13 53.10 3cik s LEU 600 Cb 0.00 2.78 -0.00 0.00 -2.05 0.00 0.00 46.19 46.92 3cik s LEU 600 CO -0.10 -1.65 -0.13 -0.22 -0.55 0.00 0.00 176.35 173.70 3cik s LEU 601 N -3.06 1.88 0.22 1.48 2.96 0.05 -4.99 118.68 117.21 3cik s LEU 601 Ca 0.16 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3cik s LEU 601 Cb -0.05 -0.73 -0.07 0.00 0.50 0.00 0.00 46.19 45.84 3cik s LEU 601 CO 0.11 0.12 0.53 0.42 -1.32 0.00 0.00 176.35 176.21 3cik s THR 602 N 0.03 4.96 -0.12 3.68 -4.23 -1.26 0.61 115.64 119.31 3cik s THR 602 Ca -0.02 0.41 0.27 0.00 -1.18 0.00 0.00 61.69 61.17 3cik s THR 602 Cb -0.09 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.41 3cik s THR 602 CO 0.01 -0.07 1.82 0.24 -0.54 0.00 0.00 174.62 176.08 3cik h MET 603 N 2.55 0.00 -0.23 3.99 2.86 -1.84 -2.97 114.93 119.29 3cik h MET 603 Ca -0.47 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 3cik h MET 603 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3cik h MET 603 CO 0.69 0.00 -0.34 0.93 1.06 0.00 0.00 176.91 179.25 3cik h GLU 604 N 0.00 0.50 0.00 1.72 5.08 -1.93 -3.19 114.58 116.75 3cik h GLU 604 Ca 0.00 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3cik h GLU 604 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3cik h GLU 604 CO 0.00 0.77 -0.34 0.93 -1.00 0.00 0.00 179.01 179.37 3cik h GLU 605 N 0.42 0.00 -6.32 2.33 5.08 -1.93 -3.44 114.58 110.72 3cik h GLU 605 Ca 0.05 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.87 3cik h GLU 605 Cb 0.80 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 3cik h GLU 605 CO 0.06 0.34 1.10 0.42 -1.00 0.00 0.00 179.01 179.94 3cik s ILE 606 N -3.54 3.70 0.23 3.13 1.01 -1.21 -0.50 121.20 124.02 3cik s ILE 606 Ca 0.01 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3cik s ILE 606 Cb 0.10 -4.85 -0.03 0.00 0.01 0.00 0.00 42.46 37.70 3cik s ILE 606 CO 0.68 -1.79 1.57 1.56 0.00 0.00 0.00 174.94 176.96 3cik h GLN 607 N 10.41 0.36 -2.39 2.79 4.20 -1.19 -3.47 115.11 125.82 3cik h GLN 607 Ca -0.26 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.31 3cik h GLN 607 Cb 1.06 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.71 3cik h GLN 607 CO 1.28 0.81 0.44 -1.54 -0.67 0.00 0.00 178.83 179.14 3cik s SER 608 N -6.90 -0.41 -0.27 1.46 1.04 -1.22 -4.99 113.70 102.42 3cik s SER 608 Ca -0.05 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3cik s SER 608 Cb 0.12 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.74 3cik s SER 608 CO 0.81 -0.68 -0.01 -0.69 0.98 0.00 0.00 173.24 173.65 3cik s VAL 609 N -3.13 1.63 0.38 5.02 1.01 -1.26 -1.97 120.40 122.07 3cik s VAL 609 Ca 0.04 -1.50 0.07 0.00 0.00 0.00 0.00 61.98 60.58 3cik s VAL 609 Cb -0.01 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 3cik s VAL 609 CO -0.09 -0.28 -0.00 -1.61 0.00 0.00 0.00 175.10 173.12 3cik s GLU 610 N 1.31 1.86 0.06 2.72 2.02 -0.30 -4.97 118.70 121.39 3cik s GLU 610 Ca -0.00 -2.03 -0.07 0.00 0.02 0.00 0.00 54.97 52.89 3cik s GLU 610 Cb -0.19 -1.49 -0.05 0.00 0.10 0.00 0.00 34.13 32.50 3cik s GLU 610 CO -0.09 -0.03 0.33 -1.83 0.02 0.00 0.00 175.26 173.65 3cik s GLU 611 N -3.72 3.64 -0.11 1.61 1.03 -1.26 -1.30 118.70 118.58 3cik s GLU 611 Ca 0.34 -0.02 -0.26 0.00 0.03 0.00 0.00 54.97 55.06 3cik s GLU 611 Cb 0.08 -3.00 0.06 0.00 -0.80 0.00 0.00 34.13 30.47 3cik s GLU 611 CO 0.17 0.58 0.63 -0.08 -1.33 0.00 0.00 175.26 175.22 3cik s THR 612 N -1.42 0.01 -0.33 1.83 -1.32 -0.79 -4.85 115.64 108.76 3cik s THR 612 Ca 0.33 -0.06 -0.16 0.00 -1.21 0.00 0.00 61.69 60.59 3cik s THR 612 Cb -0.13 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3cik s THR 612 CO 0.19 -0.03 0.41 -1.10 -2.21 0.00 0.00 174.62 171.88 3cik s GLN 613 N -0.69 3.69 -0.26 7.08 -0.21 -1.26 -0.51 119.66 127.50 3cik s GLN 613 Ca -0.08 -0.23 -0.09 0.00 0.02 0.00 0.00 55.36 54.99 3cik s GLN 613 Cb -0.02 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 3cik s GLN 613 CO 0.06 -0.50 0.12 0.42 -2.12 0.00 0.00 175.29 173.27 3cik s ILE 614 N 2.14 4.77 0.00 1.08 1.01 -0.91 -4.89 121.20 124.40 3cik s ILE 614 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3cik s ILE 614 Cb -0.16 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3cik s ILE 614 CO 0.12 0.30 0.00 0.29 0.00 0.00 0.00 174.94 175.65 3cik n LYS 615 N 4.94 0.00 0.00 2.79 5.02 -1.26 -2.72 118.16 126.93 3cik n LYS 615 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3cik n LYS 615 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 3cik n LYS 615 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3cik n GLU 616 N 0.00 3.46 -3.31 1.97 0.28 -1.26 -5.04 120.64 116.74 3cik n GLU 616 Ca 0.00 -0.06 -0.35 0.00 -0.16 0.00 0.00 57.16 56.59 3cik n GLU 616 Cb 0.00 -0.42 -0.06 0.00 1.43 0.00 0.00 31.44 32.40 3cik n GLU 616 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3cik s ARG 617 N -0.51 4.01 0.08 3.44 3.52 -1.10 -5.07 118.95 123.32 3cik s ARG 617 Ca 0.00 0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 56.09 3cik s ARG 617 Cb 0.00 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 3cik s ARG 617 CO 0.00 0.43 0.33 0.21 -0.81 0.00 0.00 175.30 175.46 3cik s LYS 618 N -2.11 3.60 0.21 5.12 2.20 -1.26 -2.15 119.74 125.36 3cik s LYS 618 Ca 0.41 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 3cik s LYS 618 Cb -0.15 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3cik s LYS 618 CO 0.20 0.55 0.22 0.00 -0.36 0.00 0.00 175.35 175.96 3cik s LEU 620 N -3.12 3.93 -0.27 0.00 1.43 -0.27 -1.89 118.68 118.49 3cik s LEU 620 Ca 0.34 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 3cik s LEU 620 Cb 0.05 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3cik s LEU 620 CO 0.11 0.14 0.09 -0.22 0.23 0.00 0.00 176.35 176.71 3cik s LEU 621 N 0.57 3.68 -0.24 1.79 2.96 -0.42 -1.20 118.68 125.82 3cik s LEU 621 Ca 0.05 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 3cik s LEU 621 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3cik s LEU 621 CO 0.01 -0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.29 3cik s LEU 622 N 1.60 3.74 -0.06 -0.68 1.43 0.33 -1.15 118.68 123.89 3cik s LEU 622 Ca 0.05 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 3cik s LEU 622 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3cik s LEU 622 CO 0.04 0.02 0.68 -0.54 0.23 0.00 0.00 176.35 176.78 3cik s LYS 623 N 1.31 4.43 -0.24 1.70 1.02 -0.83 -1.50 119.74 125.62 3cik s LYS 623 Ca 0.06 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.91 3cik s LYS 623 Cb -0.15 -3.43 0.06 0.00 -0.52 0.00 0.00 37.83 33.79 3cik s LYS 623 CO 0.05 0.10 -0.06 0.42 -0.92 0.00 0.00 175.35 174.95 3cik s ILE 624 N 0.68 1.63 0.00 2.17 1.01 0.05 -0.67 121.20 126.06 3cik s ILE 624 Ca 0.36 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3cik s ILE 624 Cb -0.18 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3cik s ILE 624 CO 0.18 -0.11 0.00 -1.14 0.00 0.00 0.00 174.94 173.87 3cik n ARG 625 N 4.63 0.00 0.00 2.79 3.00 0.34 0.51 116.66 127.93 3cik n ARG 625 Ca -0.12 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.80 3cik n ARG 625 Cb 0.44 0.00 0.34 0.00 0.00 0.00 0.00 32.46 33.24 3cik n ARG 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cik n GLY 626 N 0.00 -0.74 0.44 5.14 0.00 -1.26 -4.81 105.19 103.96 3cik n GLY 626 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3cik n GLY 626 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cik n GLY 627 N -0.12 1.37 3.71 -0.02 0.00 0.18 -5.09 105.19 105.21 3cik n GLY 627 Ca 0.06 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3cik n GLY 627 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cik s LYS 628 N -1.23 3.08 0.41 1.61 1.02 -0.65 -4.89 119.74 119.08 3cik s LYS 628 Ca 0.00 -0.37 -0.23 0.00 0.02 0.00 0.00 55.97 55.39 3cik s LYS 628 Cb 0.00 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 3cik s LYS 628 CO 0.00 0.70 1.01 -0.65 -0.92 0.00 0.00 175.35 175.49 3cik s GLN 629 N -0.86 4.18 -0.05 1.68 1.11 -1.26 -0.77 119.66 123.69 3cik s GLN 629 Ca 0.13 1.38 -0.00 0.00 0.01 0.00 0.00 55.36 56.87 3cik s GLN 629 Cb -0.11 -2.43 0.03 0.00 -1.01 0.00 0.00 33.01 29.48 3cik s GLN 629 CO 0.02 -0.10 -0.00 0.12 0.01 0.00 0.00 175.29 175.34 3cik s PHE 630 N -1.81 0.50 -0.13 0.91 2.19 -0.56 -4.93 117.98 114.15 3cik s PHE 630 Ca 0.59 -0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.80 3cik s PHE 630 Cb -0.18 -0.61 0.01 0.00 -1.31 0.00 0.00 43.02 40.93 3cik s PHE 630 CO 0.23 -0.22 -0.22 0.42 1.83 0.00 0.00 175.22 177.26 3cik s ILE 631 N 1.48 2.00 -0.04 3.12 1.01 -1.26 -0.51 121.20 127.00 3cik s ILE 631 Ca -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.70 3cik s ILE 631 Cb -0.13 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3cik s ILE 631 CO -0.03 0.54 -0.14 -0.76 0.00 0.00 0.00 174.94 174.55 3cik s LEU 632 N 0.72 2.76 -0.07 2.97 1.43 -0.34 -2.77 118.68 123.39 3cik s LEU 632 Ca -0.10 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3cik s LEU 632 Cb -0.16 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3cik s LEU 632 CO 0.01 0.34 -0.22 -1.58 0.23 0.00 0.00 176.35 175.13 3cik s GLN 633 N -0.79 2.65 0.22 1.70 0.74 0.42 -1.11 119.66 123.48 3cik s GLN 633 Ca 0.12 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.76 3cik s GLN 633 Cb -0.11 -2.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 3cik s GLN 633 CO 0.01 0.40 0.04 0.00 -0.55 0.00 0.00 175.29 175.19 3cik n ASP 635 N -0.56 0.77 -3.64 0.00 8.00 -1.26 -4.87 116.55 115.00 3cik n ASP 635 Ca -0.08 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 3cik n ASP 635 Cb 0.57 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 3cik n ASP 635 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3cik s SER 636 N -4.44 -0.29 0.13 -2.24 1.04 -1.26 -5.04 113.70 101.60 3cik s SER 636 Ca 0.11 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.18 3cik s SER 636 Cb 0.13 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 3cik s SER 636 CO 0.59 -0.73 1.60 0.44 0.98 0.00 0.00 173.24 176.12 3cik h ASP 637 N 2.77 -1.12 -0.87 7.02 3.32 -1.89 -0.43 116.42 125.22 3cik h ASP 637 Ca -0.32 0.15 0.17 0.00 0.02 0.00 0.00 57.03 57.05 3cik h ASP 637 Cb 1.22 0.46 -0.16 0.00 0.22 0.00 0.00 39.33 41.07 3cik h ASP 637 CO 0.44 -0.40 -0.24 -0.65 -1.72 0.00 0.00 179.24 176.67 3cik h PRO 638 N -0.46 -0.01 -0.38 3.56 0.11 -1.93 -1.34 132.00 131.55 3cik h PRO 638 Ca 0.08 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 3cik h PRO 638 Cb 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3cik h PRO 638 CO -0.34 -0.01 -0.03 0.93 -0.21 0.00 0.00 178.00 178.34 3cik h GLU 639 N -0.01 0.62 -0.76 1.05 5.08 -1.56 -1.46 114.58 117.53 3cik h GLU 639 Ca 0.41 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3cik h GLU 639 Cb 0.63 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3cik h GLU 639 CO -0.90 0.66 0.38 1.25 -1.00 0.00 0.00 179.01 179.40 3cik h LEU 640 N 0.58 0.97 -0.40 1.33 5.85 -0.06 -2.36 115.31 121.22 3cik h LEU 640 Ca 0.12 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 3cik h LEU 640 Cb 0.41 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3cik h LEU 640 CO 0.02 0.81 -0.55 0.58 -0.34 0.00 0.00 178.44 178.95 3cik h VAL 641 N 1.08 1.30 -0.03 1.05 2.07 -0.45 -2.34 116.25 118.93 3cik h VAL 641 Ca 0.27 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 3cik h VAL 641 Cb 0.08 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3cik h VAL 641 CO -0.04 0.56 -0.28 1.56 0.02 0.00 0.00 177.57 179.40 3cik h GLN 642 N 0.56 0.24 -0.86 1.57 1.08 -1.43 -2.70 115.11 113.57 3cik h GLN 642 Ca 0.01 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3cik h GLN 642 Cb 1.13 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 3cik h GLN 642 CO 0.11 0.90 0.55 -1.49 -0.95 0.00 0.00 178.83 177.96 3cik h TRP 643 N -0.34 1.09 0.00 2.96 4.06 -1.47 0.48 115.95 122.74 3cik h TRP 643 Ca -0.03 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.96 3cik h TRP 643 Cb 0.97 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 3cik h TRP 643 CO 0.15 0.70 -0.13 -0.22 -3.56 0.00 0.00 178.44 175.39 3cik h LYS 644 N 1.17 -0.21 -0.04 0.49 3.64 -1.51 -1.80 116.57 118.31 3cik h LYS 644 Ca 0.31 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3cik h LYS 644 Cb -0.11 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3cik h LYS 644 CO -0.07 -0.14 0.01 -0.22 -2.27 0.00 0.00 179.45 176.76 3cik h LYS 645 N -0.22 0.06 -0.17 1.90 3.64 -0.85 -2.42 116.57 118.51 3cik h LYS 645 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3cik h LYS 645 Cb 0.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3cik h LYS 645 CO -0.12 0.29 -0.43 0.93 -2.27 0.00 0.00 179.45 177.85 3cik h GLU 646 N -0.18 0.40 0.02 1.90 4.39 -0.10 -0.56 114.58 120.46 3cik h GLU 646 Ca 0.01 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 3cik h GLU 646 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3cik h GLU 646 CO 0.00 0.76 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.53 3cik h LEU 647 N 0.33 -0.02 -0.36 1.33 3.38 -1.33 -0.11 115.31 118.53 3cik h LEU 647 Ca 0.03 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3cik h LEU 647 Cb 0.89 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3cik h LEU 647 CO 0.07 0.22 -0.03 0.03 0.09 0.00 0.00 178.44 178.83 3cik h ARG 648 N -0.27 0.06 -0.44 1.13 3.08 -1.20 -0.88 114.38 115.86 3cik h ARG 648 Ca -0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3cik h ARG 648 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3cik h ARG 648 CO 0.00 0.04 0.06 -0.44 -1.07 0.00 0.00 179.97 178.56 3cik h ASP 649 N 0.07 0.64 -0.19 7.04 5.19 -0.96 -1.80 116.42 126.41 3cik h ASP 649 Ca 0.18 -0.12 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 3cik h ASP 649 Cb 0.26 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.60 3cik h ASP 649 CO -0.32 0.67 -0.59 0.00 -3.12 0.00 0.00 179.24 175.88 3cik h ALA 650 N 1.41 0.32 0.00 3.45 0.00 -0.28 -2.18 119.26 121.98 3cik h ALA 650 Ca 0.14 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3cik h ALA 650 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3cik h ALA 650 CO 0.01 0.57 -0.87 0.10 0.00 0.00 0.00 179.25 179.06 3cik h TYR 651 N 0.44 0.07 -0.39 0.00 -0.00 -1.13 -0.79 116.97 115.18 3cik h TYR 651 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 58.73 58.56 3cik h TYR 651 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 3cik h TYR 651 CO 0.09 0.89 -0.16 0.00 -0.00 0.00 0.00 178.16 178.98 3cik h ARG 652 N 0.02 0.80 -0.47 0.10 3.08 -1.35 -2.28 114.38 114.28 3cik h ARG 652 Ca -0.02 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 3cik h ARG 652 Cb 1.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 3cik h ARG 652 CO 0.12 0.96 -0.16 0.93 -1.07 0.00 0.00 179.97 180.75 3cik h GLU 653 N 0.61 0.95 -0.52 0.04 5.08 -1.32 -2.78 114.58 116.64 3cik h GLU 653 Ca 0.09 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 3cik h GLU 653 Cb 0.71 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3cik h GLU 653 CO 0.05 1.05 -0.07 0.00 -1.00 0.00 0.00 179.01 179.05 3cik h ALA 654 N 0.87 0.90 0.00 3.43 0.00 -1.16 -1.59 119.26 121.71 3cik h ALA 654 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3cik h ALA 654 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3cik h ALA 654 CO 0.06 0.64 -0.48 1.96 0.00 0.00 0.00 179.25 181.43 3cik h GLN 655 N 0.84 0.00 -0.12 0.00 4.20 -1.41 -1.39 115.11 117.23 3cik h GLN 655 Ca 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3cik h GLN 655 Cb 0.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 3cik h GLN 655 CO 0.04 0.48 -0.04 0.37 -0.67 0.00 0.00 178.83 179.00 3cik h GLN 656 N 0.00 0.23 0.18 1.46 4.15 -1.26 -3.07 115.11 116.81 3cik h GLN 656 Ca -0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3cik h GLN 656 Cb 1.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3cik h GLN 656 CO 0.06 0.56 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.36 3cik h LEU 657 N -0.10 -0.21 -0.90 -2.39 3.38 -1.05 -3.16 115.31 110.89 3cik h LEU 657 Ca 0.03 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3cik h LEU 657 Cb 0.48 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3cik h LEU 657 CO 0.01 0.01 0.57 0.58 0.09 0.00 0.00 178.44 179.71 3cik h VAL 658 N -0.43 1.11 -0.12 1.22 2.07 -1.40 -1.90 116.25 116.79 3cik h VAL 658 Ca -0.03 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3cik h VAL 658 Cb 0.33 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3cik h VAL 658 CO 0.04 0.20 0.13 -0.61 0.02 0.00 0.00 177.57 177.35 3cik h GLN 659 N 1.08 0.00 -0.51 1.57 5.75 -1.50 -0.00 115.11 121.51 3cik h GLN 659 Ca 0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3cik h GLN 659 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3cik h GLN 659 CO -0.14 0.00 0.00 2.89 -2.65 0.00 0.00 178.83 178.93 3cik n ARG 660 N -3.85 3.21 -3.56 1.69 1.85 -0.73 -4.80 116.66 110.47 3cik n ARG 660 Ca 0.00 -2.60 -0.41 0.00 -1.00 0.00 0.00 57.85 53.84 3cik n ARG 660 Cb 0.24 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 3cik n ARG 660 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cik s VAL 661 N -1.63 4.34 0.63 8.89 1.01 -0.01 -5.00 120.40 128.63 3cik s VAL 661 Ca 0.41 -1.48 0.31 0.00 0.00 0.00 0.00 61.98 61.22 3cik s VAL 661 Cb 0.26 -3.71 0.35 0.00 0.00 0.00 0.00 36.38 33.28 3cik s VAL 661 CO 0.21 -0.60 2.01 1.55 0.00 0.00 0.00 175.10 178.27 3cik h PRO 662 N 8.46 0.00 0.00 2.72 0.13 -1.87 -2.14 132.00 139.30 3cik h PRO 662 Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 3cik h PRO 662 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3cik h PRO 662 CO 0.80 0.00 -1.14 -0.22 -0.23 0.00 0.00 178.00 177.22 3cik h LYS 663 N 0.00 0.00 0.01 0.86 3.64 -1.94 -3.38 116.57 115.76 3cik h LYS 663 Ca 0.06 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.12 3cik h LYS 663 Cb 0.65 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 3cik h LYS 663 CO -0.00 0.21 -1.92 -1.33 -2.27 0.00 0.00 179.45 174.14 3cik n MET 664 N -2.87 0.66 -1.58 1.90 2.81 -0.85 -5.00 117.12 112.19 3cik n MET 664 Ca -0.05 0.22 -0.31 0.00 -1.81 0.00 0.00 57.70 55.74 3cik n MET 664 Cb 0.73 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.58 3cik n MET 664 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3cik s LYS 665 N -2.57 2.86 0.49 0.03 -2.85 -0.93 -5.02 119.74 111.74 3cik s LYS 665 Ca -0.08 1.04 -0.20 0.00 -1.00 0.00 0.00 55.97 55.73 3cik s LYS 665 Cb 0.07 -1.98 -0.09 0.00 -2.06 0.00 0.00 37.83 33.78 3cik s LYS 665 CO 0.81 -1.17 1.02 -0.80 0.10 0.00 0.00 175.35 175.31 3cik s ASN 666 N -3.54 6.44 0.27 0.03 0.01 -1.26 -5.01 114.94 111.87 3cik s ASN 666 Ca 0.60 1.84 0.07 0.00 -0.71 0.00 0.00 52.86 54.66 3cik s ASN 666 Cb -0.15 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 3cik s ASN 666 CO 0.52 -0.71 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.79 3cik s LYS 667 N -3.36 1.51 -0.90 -0.60 1.02 -1.26 -5.07 119.74 111.08 3cik s LYS 667 Ca 0.65 -1.75 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 3cik s LYS 667 Cb -0.14 -1.13 -0.20 0.00 -0.52 0.00 0.00 37.83 35.84 3cik s LYS 667 CO 0.21 0.06 2.61 -2.30 -0.92 0.00 0.00 175.35 175.00 3cik n PRO 668 N -0.54 0.21 0.00 -1.68 -0.02 -1.26 -5.33 135.00 126.38 3cik n PRO 668 Ca -0.06 -0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.54 3cik n PRO 668 Cb 0.63 -1.88 0.35 0.00 -0.02 0.00 0.00 33.50 32.58 3cik n PRO 668 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35