#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0r n LEU 2 N 0.00 0.00 0.14 -0.89 7.94 -1.26 -4.19 117.00 118.74 3h0r n LEU 2 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3h0r n LEU 2 Cb 0.00 0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.46 3h0r n LEU 2 CO 0.00 0.00 0.84 -2.67 -1.11 0.00 0.00 177.39 174.45 3h0r n TRP 3 N 0.00 0.77 1.49 1.96 4.27 -1.26 -1.34 117.44 123.32 3h0r n TRP 3 Ca 0.00 0.33 0.14 0.00 -3.89 0.00 0.00 57.50 54.08 3h0r n TRP 3 Cb 0.00 -1.03 0.53 0.00 -1.36 0.00 0.00 31.31 29.45 3h0r n TRP 3 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 3h0r n LYS 4 N -2.22 1.50 -3.75 -2.67 4.81 -1.26 -4.92 118.16 109.64 3h0r n LYS 4 Ca 0.01 -0.83 -0.29 0.00 -0.87 0.00 0.00 58.31 56.33 3h0r n LYS 4 Cb 0.17 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 3h0r n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3h0r s LYS 5 N -2.08 3.53 0.83 1.64 1.02 -0.45 -4.84 119.74 119.39 3h0r s LYS 5 Ca 0.36 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 3h0r s LYS 5 Cb 0.21 -2.89 0.12 0.00 -0.52 0.00 0.00 37.83 34.74 3h0r s LYS 5 CO 0.36 0.47 1.18 -1.54 -0.92 0.00 0.00 175.35 174.91 3h0r s SER 6 N -2.81 4.11 0.45 2.83 1.04 -1.26 -4.81 113.70 113.25 3h0r s SER 6 Ca 0.38 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.51 3h0r s SER 6 Cb -0.12 -0.84 1.07 0.00 0.10 0.00 0.00 66.02 66.23 3h0r s SER 6 CO 0.27 -2.11 1.91 -0.07 0.98 0.00 0.00 173.24 174.23 3h0r h LEU 7 N -1.12 0.00 -0.13 2.42 3.38 -1.97 0.21 115.31 118.10 3h0r h LEU 7 Ca -0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3h0r h LEU 7 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3h0r h LEU 7 CO 0.54 0.23 -0.22 0.28 0.09 0.00 0.00 178.44 179.36 3h0r h SER 8 N 0.00 0.41 -0.30 -0.43 0.02 -1.99 0.98 113.55 112.24 3h0r h SER 8 Ca -0.00 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.38 3h0r h SER 8 Cb 0.59 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3h0r h SER 8 CO 0.03 0.88 0.11 -0.33 -1.14 0.00 0.00 176.83 176.37 3h0r h GLU 9 N -0.04 0.47 -0.52 3.45 5.08 -1.81 -2.40 114.58 118.81 3h0r h GLU 9 Ca 0.01 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3h0r h GLU 9 Cb 0.80 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3h0r h GLU 9 CO 0.05 0.50 0.06 -0.07 -1.00 0.00 0.00 179.01 178.55 3h0r h LEU 10 N 0.34 0.84 -0.23 1.33 4.07 -0.63 -2.83 115.31 118.20 3h0r h LEU 10 Ca 0.10 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 3h0r h LEU 10 Cb 0.22 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h0r h LEU 10 CO -0.01 0.90 0.12 -0.09 -1.08 0.00 0.00 178.44 178.29 3h0r h ARG 11 N 0.75 0.32 -0.92 1.13 2.43 -0.73 -0.93 114.38 116.43 3h0r h ARG 11 Ca 0.15 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3h0r h ARG 11 Cb 0.43 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 3h0r h ARG 11 CO 0.01 0.31 0.61 1.49 -1.51 0.00 0.00 179.97 180.88 3h0r h GLU 12 N 0.25 1.21 -0.45 0.20 4.81 -1.45 0.20 114.58 119.34 3h0r h GLU 12 Ca 0.08 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3h0r h GLU 12 Cb 0.08 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3h0r h GLU 12 CO -0.01 0.80 0.13 -0.07 -0.73 0.00 0.00 179.01 179.12 3h0r h LEU 13 N 1.24 0.62 0.13 1.64 4.07 -1.31 -2.68 115.31 119.03 3h0r h LEU 13 Ca 0.34 -0.09 -0.30 0.00 0.08 0.00 0.00 57.88 57.91 3h0r h LEU 13 Cb -0.13 -0.16 0.02 0.00 1.08 0.00 0.00 40.66 41.47 3h0r h LEU 13 CO -0.08 0.61 -1.29 -0.07 -1.08 0.00 0.00 178.44 176.53 3h0r h LEU 14 N 0.66 0.68 -0.71 1.67 3.38 -0.29 -0.63 115.31 120.07 3h0r h LEU 14 Ca 0.15 -0.68 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3h0r h LEU 14 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3h0r h LEU 14 CO -0.01 1.52 -0.31 0.50 0.09 0.00 0.00 178.44 180.23 3h0r h LYS 15 N 0.16 0.65 -0.61 1.13 3.64 -0.62 -2.86 116.57 118.07 3h0r h LYS 15 Ca -0.18 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3h0r h LYS 15 Cb 1.98 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 3h0r h LYS 15 CO 0.23 0.88 0.00 0.54 -2.27 0.00 0.00 179.45 178.83 3h0r n ARG 16 N -4.08 4.66 -0.57 1.90 1.74 -1.02 -4.94 116.66 114.36 3h0r n ARG 16 Ca -0.01 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.09 3h0r n ARG 16 Cb 0.47 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3h0r n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0r n GLY 17 N 0.62 0.52 0.33 -0.13 0.00 -1.08 -4.81 105.19 100.64 3h0r n GLY 17 Ca 0.26 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.43 3h0r n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0r h GLU 18 N 1.08 0.00 -4.62 1.61 5.08 -1.43 -3.42 114.58 112.88 3h0r h GLU 18 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3h0r h GLU 18 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3h0r h GLU 18 CO 0.00 0.00 -0.70 0.54 -1.00 0.00 0.00 179.01 177.85 3h0r s VAL 19 N -5.02 0.65 0.21 3.13 0.11 -0.66 -5.02 120.40 113.81 3h0r s VAL 19 Ca -0.05 -1.89 0.08 0.00 -2.93 0.00 0.00 61.98 57.19 3h0r s VAL 19 Cb 0.18 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 3h0r s VAL 19 CO 0.70 -0.86 0.01 -0.94 -3.33 0.00 0.00 175.10 170.68 3h0r s SER 20 N -2.98 4.76 0.30 3.54 1.04 -1.26 -4.38 113.70 114.73 3h0r s SER 20 Ca 0.11 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.14 3h0r s SER 20 Cb 0.05 -1.00 0.74 0.00 0.10 0.00 0.00 66.02 65.91 3h0r s SER 20 CO -0.05 0.06 1.76 -0.65 0.98 0.00 0.00 173.24 175.33 3h0r h PRO 21 N 2.38 0.66 -0.81 4.02 0.11 -1.89 -1.32 132.00 135.15 3h0r h PRO 21 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h0r h PRO 21 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3h0r h PRO 21 CO 0.59 0.44 0.48 -0.22 -0.21 0.00 0.00 178.00 179.07 3h0r h LYS 22 N 0.68 1.11 -0.22 1.05 3.64 -1.89 -1.79 116.57 119.15 3h0r h LYS 22 Ca 0.58 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 3h0r h LYS 22 Cb 0.95 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3h0r h LYS 22 CO -0.41 0.79 0.04 0.93 -2.27 0.00 0.00 179.45 178.53 3h0r h GLU 23 N 1.12 0.36 -0.22 1.90 5.08 -1.66 -0.66 114.58 120.49 3h0r h GLU 23 Ca 0.29 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3h0r h GLU 23 Cb -0.02 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 3h0r h GLU 23 CO -0.05 0.50 -0.32 0.28 -1.00 0.00 0.00 179.01 178.42 3h0r h VAL 24 N 0.16 0.27 -0.57 3.13 2.07 -1.20 0.17 116.25 120.28 3h0r h VAL 24 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3h0r h VAL 24 Cb 0.32 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3h0r h VAL 24 CO 0.00 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.50 3h0r h VAL 25 N -0.35 1.03 -0.78 2.57 2.07 -1.22 -2.41 116.25 117.16 3h0r h VAL 25 Ca 0.12 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3h0r h VAL 25 Cb 0.54 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3h0r h VAL 25 CO -0.41 0.12 0.48 -0.33 0.02 0.00 0.00 177.57 177.44 3h0r h GLU 26 N 0.65 0.85 0.19 1.57 5.08 -0.24 0.17 114.58 122.85 3h0r h GLU 26 Ca 0.23 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3h0r h GLU 26 Cb 0.06 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3h0r h GLU 26 CO -0.12 0.56 -0.30 1.03 -1.00 0.00 0.00 179.01 179.19 3h0r h SER 27 N 0.88 -0.83 0.11 1.42 0.87 -0.23 -0.75 113.55 115.02 3h0r h SER 27 Ca 0.34 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 3h0r h SER 27 Cb 0.15 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3h0r h SER 27 CO -0.16 -0.40 -0.29 -0.26 -0.53 0.00 0.00 176.83 175.18 3h0r h PHE 28 N -0.56 0.33 -0.37 2.24 0.04 -1.17 -2.30 116.94 115.15 3h0r h PHE 28 Ca 0.01 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3h0r h PHE 28 Cb 0.55 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 3h0r h PHE 28 CO -0.23 0.56 0.18 -0.92 -0.60 0.00 0.00 178.31 177.29 3h0r h TYR 29 N 0.26 0.32 -0.46 -0.55 5.03 -0.30 0.23 116.97 121.49 3h0r h TYR 29 Ca 0.04 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 3h0r h TYR 29 Cb 0.65 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 3h0r h TYR 29 CO 0.01 0.17 0.10 -0.44 -1.32 0.00 0.00 178.16 176.68 3h0r h ASP 30 N 0.36 0.71 -0.90 -2.11 3.32 -0.74 0.07 116.42 117.14 3h0r h ASP 30 Ca 0.16 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3h0r h ASP 30 Cb 0.08 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3h0r h ASP 30 CO -0.12 0.77 0.59 -0.09 -1.72 0.00 0.00 179.24 178.67 3h0r h ARG 31 N 0.63 1.08 -0.35 3.56 9.65 -1.14 0.32 114.38 128.12 3h0r h ARG 31 Ca 0.14 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3h0r h ARG 31 Cb 0.34 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3h0r h ARG 31 CO 0.00 0.71 0.19 -0.92 2.80 0.00 0.00 179.97 182.76 3h0r h TYR 32 N 1.11 0.36 -0.13 2.20 3.20 0.00 -2.08 116.97 121.63 3h0r h TYR 32 Ca 0.36 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 3h0r h TYR 32 Cb 0.04 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3h0r h TYR 32 CO -0.00 0.20 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.65 3h0r h ASN 33 N 0.39 0.19 -0.76 -2.11 4.21 0.74 0.31 115.58 118.56 3h0r h ASN 33 Ca 0.14 -0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 3h0r h ASN 33 Cb 0.03 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3h0r h ASN 33 CO -0.08 0.38 0.38 1.56 -1.29 0.00 0.00 177.43 178.37 3h0r h GLN 34 N 0.19 1.08 0.00 0.81 4.20 -0.10 -3.39 115.11 117.90 3h0r h GLN 34 Ca 0.04 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 3h0r h GLN 34 Cb 0.41 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3h0r h GLN 34 CO 0.03 0.83 -1.54 0.25 -0.67 0.00 0.00 178.83 177.73 3h0r n THR 35 N -4.41 0.54 -0.29 -0.54 -2.24 -0.81 -4.73 114.28 101.80 3h0r n THR 35 Ca 0.07 -0.31 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3h0r n THR 35 Cb 0.12 -0.80 0.35 0.00 -2.10 0.00 0.00 70.33 67.90 3h0r n THR 35 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h0r h GLU 36 N 0.00 0.73 -0.43 -0.78 4.57 -0.61 -1.11 114.58 116.95 3h0r h GLU 36 Ca -0.21 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3h0r h GLU 36 Cb 1.45 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3h0r h GLU 36 CO 0.00 0.48 0.25 1.49 -1.18 0.00 0.00 179.01 180.06 3h0r h GLU 37 N 0.75 0.57 0.00 1.92 4.81 -1.85 0.25 114.58 121.03 3h0r h GLU 37 Ca 0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 3h0r h GLU 37 Cb 0.70 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3h0r h GLU 37 CO -0.23 0.41 -0.15 0.87 -0.73 0.00 0.00 179.01 179.18 3h0r h LYS 38 N 0.59 0.00 0.27 1.92 1.57 -1.57 -3.41 116.57 115.93 3h0r h LYS 38 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3h0r h LYS 38 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3h0r h LYS 38 CO -0.03 0.98 -0.13 0.28 -0.57 0.00 0.00 179.45 179.98 3h0r h VAL 39 N -1.00 0.47 -5.22 0.50 2.07 -1.09 -3.42 116.25 108.56 3h0r h VAL 39 Ca -0.04 -0.87 -0.28 0.00 0.82 0.00 0.00 66.70 66.33 3h0r h VAL 39 Cb 1.01 0.77 0.15 0.00 -1.52 0.00 0.00 31.29 31.71 3h0r h VAL 39 CO -0.03 0.12 -0.69 0.29 0.02 0.00 0.00 177.57 177.28 3h0r n LYS 40 N -5.02 -5.31 -0.05 1.57 5.02 0.85 -0.73 118.16 114.48 3h0r n LYS 40 Ca -0.07 0.75 -0.09 0.00 -2.02 0.00 0.00 58.31 56.88 3h0r n LYS 40 Cb 0.24 -5.46 0.07 0.00 -0.02 0.00 0.00 35.03 29.87 3h0r n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0r h ALA 41 N 0.67 0.79 -3.02 7.82 0.00 -1.87 -3.38 119.26 120.28 3h0r h ALA 41 Ca -0.52 -0.43 -0.65 0.00 0.00 0.00 0.00 54.91 53.31 3h0r h ALA 41 Cb 1.30 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3h0r h ALA 41 CO 0.43 0.65 -0.55 0.71 0.00 0.00 0.00 179.25 180.49 3h0r s TYR 42 N -4.36 3.35 -0.15 0.00 1.51 -1.26 0.11 117.35 116.55 3h0r s TYR 42 Ca -0.09 0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 56.06 3h0r s TYR 42 Cb 0.12 -1.76 -0.24 0.00 -0.11 0.00 0.00 41.96 39.97 3h0r s TYR 42 CO 0.84 0.58 0.38 0.82 -1.11 0.00 0.00 175.55 177.06 3h0r h ILE 43 N 3.13 0.89 -2.98 2.71 2.04 -0.29 -3.43 117.51 119.58 3h0r h ILE 43 Ca -0.49 -2.30 -0.56 0.00 1.00 0.00 0.00 64.86 62.50 3h0r h ILE 43 Cb 1.18 2.49 -0.40 0.00 -0.74 0.00 0.00 36.82 39.36 3h0r h ILE 43 CO 0.64 0.61 -0.77 -0.89 0.00 0.00 0.00 178.15 177.74 3h0r s THR 44 N -2.45 0.52 0.29 -0.27 2.01 -0.60 -4.99 115.64 110.15 3h0r s THR 44 Ca -0.24 -1.25 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 3h0r s THR 44 Cb 0.05 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 71.06 3h0r s THR 44 CO 0.70 -0.73 1.28 -2.16 -0.69 0.00 0.00 174.62 173.02 3h0r s PRO 45 N 1.69 4.41 -0.05 4.92 0.04 -1.26 0.20 135.00 144.95 3h0r s PRO 45 Ca 0.10 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.32 3h0r s PRO 45 Cb -0.17 -3.12 0.10 0.00 0.04 0.00 0.00 34.50 31.34 3h0r s PRO 45 CO -0.27 -0.14 0.98 1.28 0.04 0.00 0.00 177.00 178.89 3h0r n LEU 46 N 1.39 1.21 -0.34 -3.56 4.77 0.12 -4.77 117.00 115.81 3h0r n LEU 46 Ca 0.02 -1.77 0.09 0.00 -0.03 0.00 0.00 56.01 54.31 3h0r n LEU 46 Cb 0.42 -0.15 0.26 0.00 -2.33 0.00 0.00 43.42 41.62 3h0r n LEU 46 CO 0.58 0.42 1.18 1.88 -1.33 0.00 0.00 177.39 180.12 3h0r h TYR 47 N 0.00 1.02 0.00 -1.77 -1.99 -1.70 0.68 116.97 113.20 3h0r h TYR 47 Ca 0.00 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3h0r h TYR 47 Cb 1.03 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 39.40 3h0r h TYR 47 CO 0.03 0.31 -0.28 0.78 -0.00 0.00 0.00 178.16 179.01 3h0r h GLY 48 N 0.82 -0.43 1.66 3.88 0.00 -1.90 0.21 103.07 107.31 3h0r h GLY 48 Ca 0.51 0.33 -0.06 0.00 0.00 0.00 0.00 47.33 48.11 3h0r h GLY 48 CO -0.33 -0.22 -0.10 1.70 0.00 0.00 0.00 176.54 177.59 3h0r h LYS 49 N -0.42 0.42 -0.51 4.80 3.64 -1.62 -2.80 116.57 120.07 3h0r h LYS 49 Ca 0.06 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3h0r h LYS 49 Cb 0.51 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3h0r h LYS 49 CO -0.24 0.53 -0.14 0.00 -2.27 0.00 0.00 179.45 177.33 3h0r h ALA 50 N 1.51 0.70 -0.44 5.00 0.00 -0.37 -1.66 119.26 124.01 3h0r h ALA 50 Ca 0.08 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3h0r h ALA 50 Cb 0.42 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 3h0r h ALA 50 CO 0.02 0.64 -0.27 1.25 0.00 0.00 0.00 179.25 180.89 3h0r h LEU 51 N 0.86 -0.92 -0.76 0.00 5.85 -0.34 0.25 115.31 120.24 3h0r h LEU 51 Ca 0.13 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3h0r h LEU 51 Cb 0.71 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3h0r h LEU 51 CO 0.05 -0.28 0.24 0.11 -0.34 0.00 0.00 178.44 178.22 3h0r h LYS 52 N -0.19 1.17 0.00 1.25 1.57 -1.40 -2.92 116.57 116.06 3h0r h LYS 52 Ca 0.20 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3h0r h LYS 52 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h0r h LYS 52 CO -0.55 0.99 -0.36 1.96 -0.57 0.00 0.00 179.45 180.93 3h0r h GLN 53 N 1.13 0.00 -0.10 3.15 4.20 -0.65 -2.91 115.11 119.93 3h0r h GLN 53 Ca 0.25 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 3h0r h GLN 53 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h0r h GLN 53 CO -0.01 0.36 -0.32 0.00 -0.67 0.00 0.00 178.83 178.18 3h0r h ALA 54 N 1.64 1.27 -0.55 3.87 0.00 -0.77 -2.97 119.26 121.75 3h0r h ALA 54 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3h0r h ALA 54 Cb 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3h0r h ALA 54 CO 0.05 0.50 0.31 0.93 0.00 0.00 0.00 179.25 181.04 3h0r h GLU 55 N 0.17 0.75 -0.00 0.00 5.08 -1.54 -2.09 114.58 116.95 3h0r h GLU 55 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h0r h GLU 55 Cb 0.66 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h0r h GLU 55 CO 0.05 0.55 -0.16 -1.13 -1.00 0.00 0.00 179.01 177.31 3h0r n SER 56 N -4.41 0.52 -4.64 1.42 3.41 -1.13 -4.83 113.62 103.96 3h0r n SER 56 Ca 0.05 -0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 57.74 3h0r n SER 56 Cb 0.09 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3h0r n SER 56 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h0r s LEU 57 N -2.58 4.02 0.00 1.04 0.20 -0.79 -4.88 118.68 115.70 3h0r s LEU 57 Ca 0.25 1.07 0.00 0.00 0.69 0.00 0.00 54.13 56.14 3h0r s LEU 57 Cb 0.20 -3.42 0.00 0.00 -0.43 0.00 0.00 46.19 42.54 3h0r s LEU 57 CO 0.51 -0.73 0.00 0.29 -0.29 0.00 0.00 176.35 176.12 3h0r n LYS 58 N 6.50 0.00 -1.97 1.98 5.02 -1.26 -4.94 118.16 123.49 3h0r n LYS 58 Ca 0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 3h0r n LYS 58 Cb 0.47 -0.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.81 3h0r n LYS 58 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h0r s GLU 59 N -1.83 3.00 0.47 1.97 2.12 -1.26 -4.85 118.70 118.31 3h0r s GLU 59 Ca 0.00 1.16 0.26 0.00 0.36 0.00 0.00 54.97 56.75 3h0r s GLU 59 Cb 0.00 -4.29 0.73 0.00 0.26 0.00 0.00 34.13 30.83 3h0r s GLU 59 CO 0.00 -2.27 1.75 0.00 -0.54 0.00 0.00 175.26 174.20 3h0r h ARG 60 N 14.13 0.00 -0.00 4.30 3.08 -1.94 -3.18 114.38 130.76 3h0r h ARG 60 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3h0r h ARG 60 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3h0r h ARG 60 CO 1.10 0.06 -0.02 -1.91 -1.07 0.00 0.00 179.97 178.14 3h0r n GLU 61 N -3.14 0.94 -1.70 0.04 2.13 -1.26 -4.65 120.64 112.99 3h0r n GLU 61 Ca 0.02 -0.16 -0.42 0.00 0.66 0.00 0.00 57.16 57.26 3h0r n GLU 61 Cb 0.46 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.64 3h0r n GLU 61 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h0r n LEU 62 N -0.89 4.03 -0.39 4.31 4.32 -1.20 -4.89 117.00 122.29 3h0r n LEU 62 Ca 0.20 1.02 0.31 0.00 -0.02 0.00 0.00 56.01 57.53 3h0r n LEU 62 Cb 0.19 -1.56 0.61 0.00 -1.62 0.00 0.00 43.42 41.03 3h0r n LEU 62 CO 0.20 0.19 1.25 -0.65 -1.22 0.00 0.00 177.39 177.15 3h0r h PRO 63 N 7.65 0.20 -0.35 3.23 0.11 -1.88 0.27 132.00 141.23 3h0r h PRO 63 Ca -0.45 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 3h0r h PRO 63 Cb 1.21 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.11 3h0r h PRO 63 CO 0.95 0.13 -0.45 1.28 -0.21 0.00 0.00 178.00 179.70 3h0r n LEU 64 N -4.58 3.93 -0.16 2.35 4.77 0.64 -4.98 117.00 118.97 3h0r n LEU 64 Ca 0.31 -4.17 -0.03 0.00 -0.03 0.00 0.00 56.01 52.09 3h0r n LEU 64 Cb 1.20 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 3h0r n LEU 64 CO 0.26 1.61 0.20 0.33 -1.33 0.00 0.00 177.39 178.45 3h0r n PHE 65 N -0.98 -0.11 -1.41 -1.77 7.35 0.95 -1.35 117.46 120.13 3h0r n PHE 65 Ca 0.32 0.49 0.07 0.00 -0.76 0.00 0.00 57.45 57.56 3h0r n PHE 65 Cb 0.85 -0.57 0.12 0.00 0.35 0.00 0.00 39.48 40.23 3h0r n PHE 65 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h0r n GLY 66 N -1.13 3.83 3.67 7.13 0.00 -1.26 -4.34 105.19 113.10 3h0r n GLY 66 Ca 0.02 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3h0r n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0r s ILE 67 N -2.20 4.82 0.46 -0.61 -1.09 -0.46 -4.76 121.20 117.35 3h0r s ILE 67 Ca 0.26 1.80 -0.23 0.00 -2.23 0.00 0.00 60.65 60.25 3h0r s ILE 67 Cb 0.24 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3h0r s ILE 67 CO -0.00 -0.02 1.20 -2.84 -1.23 0.00 0.00 174.94 172.04 3h0r s PRO 68 N 2.36 3.75 -0.10 2.79 0.02 -1.26 -0.41 135.00 142.15 3h0r s PRO 68 Ca 0.42 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 3h0r s PRO 68 Cb -0.17 -2.46 0.05 0.00 0.02 0.00 0.00 34.50 31.94 3h0r s PRO 68 CO 0.12 -0.58 0.22 -1.50 -0.33 0.00 0.00 177.00 174.93 3h0r s ILE 69 N -1.47 -0.15 0.46 2.83 1.10 -0.49 -4.42 121.20 119.06 3h0r s ILE 69 Ca 0.63 0.20 -0.12 0.00 -0.51 0.00 0.00 60.65 60.85 3h0r s ILE 69 Cb -0.31 -0.36 -0.07 0.00 0.15 0.00 0.00 42.46 41.87 3h0r s ILE 69 CO 0.38 0.08 0.86 0.00 -2.11 0.00 0.00 174.94 174.15 3h0r s ALA 70 N 1.60 3.24 -0.03 1.50 0.00 -1.09 -1.64 121.76 125.35 3h0r s ALA 70 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3h0r s ALA 70 Cb -0.11 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.18 3h0r s ALA 70 CO -0.08 -0.15 0.05 0.08 0.00 0.00 0.00 175.76 175.66 3h0r s VAL 71 N -2.53 -0.07 0.39 0.00 1.01 -0.55 -1.66 120.40 116.99 3h0r s VAL 71 Ca 0.54 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 3h0r s VAL 71 Cb -0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 36.38 36.06 3h0r s VAL 71 CO 0.34 0.11 1.36 1.17 0.00 0.00 0.00 175.10 178.07 3h0r n LYS 72 N 4.41 2.26 -0.40 2.72 4.81 -0.74 -0.36 118.16 130.85 3h0r n LYS 72 Ca -0.23 0.80 -0.07 0.00 -0.87 0.00 0.00 58.31 57.94 3h0r n LYS 72 Cb 0.50 -2.48 0.04 0.00 0.02 0.00 0.00 35.03 33.11 3h0r n LYS 72 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3h0r n ASP 73 N 0.40 3.77 -0.15 3.14 2.03 -0.97 -1.50 116.55 123.27 3h0r n ASP 73 Ca 0.04 -2.49 0.01 0.00 0.52 0.00 0.00 54.79 52.87 3h0r n ASP 73 Cb 0.38 -0.69 0.03 0.00 -0.72 0.00 0.00 41.12 40.12 3h0r n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h0r n ASN 74 N 0.23 1.88 -4.58 1.67 0.23 -1.26 -0.01 115.26 113.43 3h0r n ASN 74 Ca 0.16 -1.68 -0.35 0.00 -0.53 0.00 0.00 54.58 52.18 3h0r n ASN 74 Cb 0.75 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 38.31 3h0r n ASN 74 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3h0r s ILE 75 N -0.73 4.53 0.01 1.53 1.01 -0.56 -0.67 121.20 126.32 3h0r s ILE 75 Ca 0.05 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 3h0r s ILE 75 Cb 0.03 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3h0r s ILE 75 CO 0.04 0.45 1.22 -0.76 0.00 0.00 0.00 174.94 175.88 3h0r s LEU 76 N 0.56 4.33 -0.18 2.97 1.02 -0.33 -4.89 118.68 122.16 3h0r s LEU 76 Ca 0.02 1.94 0.01 0.00 0.02 0.00 0.00 54.13 56.12 3h0r s LEU 76 Cb -0.13 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.53 3h0r s LEU 76 CO 0.01 -0.54 -0.20 -0.69 0.02 0.00 0.00 176.35 174.96 3h0r s VAL 77 N 1.64 2.09 0.40 -1.59 1.01 -1.26 -1.47 120.40 121.22 3h0r s VAL 77 Ca 0.58 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 3h0r s VAL 77 Cb -0.28 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 3h0r s VAL 77 CO 0.26 0.54 1.12 -0.70 0.00 0.00 0.00 175.10 176.32 3h0r s GLU 78 N 1.26 4.11 0.00 2.72 2.12 -1.23 -2.51 118.70 125.17 3h0r s GLU 78 Ca 0.04 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.08 3h0r s GLU 78 Cb -0.13 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.62 3h0r s GLU 78 CO -0.12 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 3h0r n GLY 79 N 0.56 3.11 3.58 -1.50 0.00 0.00 -4.96 105.19 105.98 3h0r n GLY 79 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3h0r n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0r s GLU 80 N -0.35 2.11 0.26 1.61 0.41 -1.04 -4.79 118.70 116.90 3h0r s GLU 80 Ca 0.00 -1.19 -0.31 0.00 -0.41 0.00 0.00 54.97 53.06 3h0r s GLU 80 Cb 0.00 -2.22 -0.13 0.00 -1.78 0.00 0.00 34.13 30.01 3h0r s GLU 80 CO 0.00 0.45 1.46 1.63 -0.49 0.00 0.00 175.26 178.32 3h0r n LYS 81 N 0.19 2.26 -3.94 1.61 5.02 -1.26 -1.99 118.16 120.05 3h0r n LYS 81 Ca -0.11 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 3h0r n LYS 81 Cb 0.55 -2.49 -0.15 0.00 -0.02 0.00 0.00 35.03 32.91 3h0r n LYS 81 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h0r s THR 82 N -0.10 1.69 -0.06 -0.18 2.01 -0.65 -4.87 115.64 113.48 3h0r s THR 82 Ca 0.66 -1.57 0.22 0.00 0.31 0.00 0.00 61.69 61.30 3h0r s THR 82 Cb -0.59 -2.05 -0.30 0.00 0.01 0.00 0.00 72.50 69.56 3h0r s THR 82 CO 0.50 -0.30 0.53 0.35 -0.69 0.00 0.00 174.62 175.00 3h0r n THR 83 N 4.57 0.12 -2.12 -0.82 -2.24 -1.23 -4.65 114.28 107.90 3h0r n THR 83 Ca -0.07 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3h0r n THR 83 Cb 0.43 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3h0r n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0r n ALA 85 N -1.62 -1.11 -2.37 0.00 0.00 -1.26 -1.36 120.51 112.79 3h0r n ALA 85 Ca -0.11 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3h0r n ALA 85 Cb 0.51 -3.68 -0.14 0.00 0.00 0.00 0.00 19.45 16.13 3h0r n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0r s SER 86 N -2.91 3.30 0.39 0.00 0.15 0.15 -1.66 113.70 113.11 3h0r s SER 86 Ca 0.46 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.65 3h0r s SER 86 Cb -0.23 -0.38 0.79 0.00 -1.71 0.00 0.00 66.02 64.49 3h0r s SER 86 CO 0.57 0.27 2.01 0.11 1.20 0.00 0.00 173.24 177.40 3h0r h LYS 87 N 4.88 0.65 0.00 5.44 1.79 -1.84 -1.04 116.57 126.45 3h0r h LYS 87 Ca -0.46 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3h0r h LYS 87 Cb 1.14 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3h0r h LYS 87 CO 0.45 0.43 0.00 1.51 -1.08 0.00 0.00 179.45 180.76 3h0r n ILE 88 N -4.47 0.79 -0.94 1.86 3.06 -0.85 -3.07 119.36 115.75 3h0r n ILE 88 Ca 0.07 0.16 0.04 0.00 -2.50 0.00 0.00 62.75 60.52 3h0r n ILE 88 Cb 0.14 -1.10 0.05 0.00 0.54 0.00 0.00 39.64 39.27 3h0r n ILE 88 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3h0r n LEU 89 N -2.29 1.39 -4.76 9.51 4.32 -0.91 -1.28 117.00 122.99 3h0r n LEU 89 Ca 0.02 -1.85 -0.40 0.00 -0.02 0.00 0.00 56.01 53.76 3h0r n LEU 89 Cb 0.26 -0.15 -0.04 0.00 -1.62 0.00 0.00 43.42 41.87 3h0r n LEU 89 CO 0.21 0.44 0.83 -1.83 -1.22 0.00 0.00 177.39 175.83 3h0r s GLU 90 N -1.29 4.53 0.00 3.23 -1.05 -0.44 -2.41 118.70 121.26 3h0r s GLU 90 Ca 0.11 1.89 0.00 0.00 -0.15 0.00 0.00 54.97 56.82 3h0r s GLU 90 Cb 0.10 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 3h0r s GLU 90 CO 0.01 0.08 0.00 0.09 0.95 0.00 0.00 175.26 176.39 3h0r n ASN 91 N 1.00 -0.82 -4.64 0.83 3.02 -1.26 -4.65 115.26 108.74 3h0r n ASN 91 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3h0r n ASN 91 Cb 0.44 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3h0r n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3h0r s PHE 92 N -3.23 3.01 -0.14 3.10 5.36 -1.01 -4.90 117.98 120.17 3h0r s PHE 92 Ca 0.00 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 56.88 3h0r s PHE 92 Cb 0.00 -3.75 -0.04 0.00 -0.34 0.00 0.00 43.02 38.89 3h0r s PHE 92 CO 0.00 -1.07 0.49 0.08 -1.46 0.00 0.00 175.22 173.26 3h0r s VAL 93 N 3.84 5.17 -0.12 3.12 1.01 -1.26 -1.64 120.40 130.52 3h0r s VAL 93 Ca 0.49 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 3h0r s VAL 93 Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3h0r s VAL 93 CO 0.18 0.29 1.37 0.00 0.00 0.00 0.00 175.10 176.93 3h0r s ALA 94 N 0.88 3.63 -1.55 5.51 0.00 -0.84 -4.89 121.76 124.50 3h0r s ALA 94 Ca 0.26 0.63 0.30 0.00 0.00 0.00 0.00 51.96 53.15 3h0r s ALA 94 Cb -0.15 -3.64 1.56 0.00 0.00 0.00 0.00 23.12 20.88 3h0r s ALA 94 CO 0.10 -1.18 2.06 -2.30 0.00 0.00 0.00 175.76 174.45 3h0r n PRO 95 N 6.53 0.55 -3.47 0.00 -0.02 -1.26 -0.82 135.00 136.52 3h0r n PRO 95 Ca 0.14 -0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3h0r n PRO 95 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3h0r n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h0r s TYR 96 N -2.47 -0.46 -0.02 6.00 1.13 -1.26 -4.93 117.35 115.34 3h0r s TYR 96 Ca 0.32 0.23 -0.23 0.00 -1.41 0.00 0.00 57.07 55.97 3h0r s TYR 96 Cb 0.21 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.51 3h0r s TYR 96 CO 0.45 -0.82 0.70 -0.51 -2.51 0.00 0.00 175.55 172.86 3h0r s ASP 97 N -2.76 7.06 0.58 -0.18 1.01 -1.26 -3.58 116.67 117.54 3h0r s ASP 97 Ca 0.01 1.26 -0.19 0.00 0.71 0.00 0.00 52.55 54.35 3h0r s ASP 97 Cb -0.00 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 3h0r s ASP 97 CO -0.13 -0.02 0.92 0.00 0.21 0.00 0.00 175.17 176.15 3h0r n ALA 98 N 3.22 0.04 -0.33 5.23 0.00 -0.54 -4.81 120.51 123.32 3h0r n ALA 98 Ca -0.03 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3h0r n ALA 98 Cb 0.51 -2.08 0.23 0.00 0.00 0.00 0.00 19.45 18.12 3h0r n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h0r h THR 99 N 0.57 1.02 -0.69 0.00 2.02 -1.60 -1.77 112.91 112.46 3h0r h THR 99 Ca -0.48 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 3h0r h THR 99 Cb 1.36 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3h0r h THR 99 CO 0.51 0.19 0.21 -0.37 0.37 0.00 0.00 175.52 176.43 3h0r h VAL 100 N 1.03 1.25 -0.66 3.16 -1.51 -1.85 -0.61 116.25 117.07 3h0r h VAL 100 Ca 0.43 -0.87 -0.08 0.00 -1.23 0.00 0.00 66.70 64.94 3h0r h VAL 100 Cb 0.29 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 29.91 3h0r h VAL 100 CO -0.18 0.34 0.10 0.40 -1.23 0.00 0.00 177.57 177.00 3h0r h ILE 101 N 1.03 1.26 -0.41 7.19 1.08 -1.69 0.13 117.51 126.10 3h0r h ILE 101 Ca 0.23 -1.06 0.04 0.00 -0.39 0.00 0.00 64.86 63.68 3h0r h ILE 101 Cb 0.29 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 3h0r h ILE 101 CO -0.01 0.40 0.17 -0.08 -0.69 0.00 0.00 178.15 177.94 3h0r h GLU 102 N 1.03 0.34 0.00 2.37 4.81 -0.96 -0.61 114.58 121.56 3h0r h GLU 102 Ca 0.20 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3h0r h GLU 102 Cb 0.46 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3h0r h GLU 102 CO 0.02 0.22 -0.53 0.00 -0.73 0.00 0.00 179.01 177.99 3h0r h ARG 103 N 0.35 0.00 -0.16 1.92 3.08 -0.65 -1.35 114.38 117.57 3h0r h ARG 103 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3h0r h ARG 103 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3h0r h ARG 103 CO -0.17 0.53 -0.37 -0.07 -1.07 0.00 0.00 179.97 178.83 3h0r h LEU 104 N 0.00 0.60 -0.63 3.04 3.38 -0.75 -2.64 115.31 118.32 3h0r h LEU 104 Ca -0.01 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.41 3h0r h LEU 104 Cb 1.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3h0r h LEU 104 CO 0.07 1.06 0.41 0.11 0.09 0.00 0.00 178.44 180.18 3h0r h LYS 105 N 0.17 0.80 0.00 1.13 1.57 -0.93 -0.38 116.57 118.93 3h0r h LYS 105 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3h0r h LYS 105 Cb 0.98 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3h0r h LYS 105 CO 0.08 0.53 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.21 3h0r h LYS 106 N 0.83 0.00 -0.19 3.15 3.64 -1.27 -2.24 116.57 120.50 3h0r h LYS 106 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3h0r h LYS 106 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3h0r h LYS 106 CO -0.07 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3h0r n ALA 107 N -2.16 2.51 -0.56 5.00 0.00 -0.25 -4.91 120.51 120.13 3h0r n ALA 107 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3h0r n ALA 107 Cb 0.26 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3h0r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 108 N 1.16 0.78 3.67 0.00 0.00 -0.84 -0.26 105.19 109.70 3h0r n GLY 108 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3h0r n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0r s ALA 109 N -3.06 1.35 -0.19 4.61 0.00 -0.62 -4.06 121.76 119.79 3h0r s ALA 109 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 3h0r s ALA 109 Cb 0.00 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3h0r s ALA 109 CO 0.00 -2.70 -0.02 -0.51 0.00 0.00 0.00 175.76 172.53 3h0r s LEU 110 N -6.54 1.66 -0.10 0.00 1.43 0.45 -4.62 118.68 110.96 3h0r s LEU 110 Ca 0.66 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3h0r s LEU 110 Cb -0.22 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 3h0r s LEU 110 CO 0.58 -0.25 1.75 -0.63 0.23 0.00 0.00 176.35 178.04 3h0r s ILE 111 N 1.67 3.46 -0.95 -0.59 1.09 -1.26 -1.40 121.20 123.22 3h0r s ILE 111 Ca -0.02 0.54 0.17 0.00 -1.10 0.00 0.00 60.65 60.25 3h0r s ILE 111 Cb -0.17 -3.40 -0.16 0.00 -1.06 0.00 0.00 42.46 37.67 3h0r s ILE 111 CO -0.07 -0.11 0.76 0.55 -0.10 0.00 0.00 174.94 175.97 3h0r n VAL 112 N 5.94 0.00 0.00 2.92 3.14 -0.65 -4.57 118.33 125.11 3h0r n VAL 112 Ca 0.19 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3h0r n VAL 112 Cb 0.43 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 3h0r n VAL 112 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h0r n GLY 113 N 1.38 1.65 3.45 7.55 0.00 -1.26 0.11 105.19 118.07 3h0r n GLY 113 Ca 0.04 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3h0r n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0r s LYS 114 N -2.00 3.60 -0.01 1.61 -0.14 0.13 -1.48 119.74 121.45 3h0r s LYS 114 Ca 0.00 -0.54 -0.12 0.00 -1.36 0.00 0.00 55.97 53.95 3h0r s LYS 114 Cb 0.00 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 3h0r s LYS 114 CO 0.00 0.08 0.34 0.99 -0.76 0.00 0.00 175.35 176.00 3h0r s THR 115 N 0.80 5.16 0.72 2.17 2.01 0.51 0.41 115.64 127.43 3h0r s THR 115 Ca -0.00 0.60 -0.14 0.00 0.31 0.00 0.00 61.69 62.45 3h0r s THR 115 Cb -0.14 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.77 3h0r s THR 115 CO 0.02 0.53 1.17 0.21 -0.69 0.00 0.00 174.62 175.85 3h0r s ASN 116 N -1.22 4.42 0.21 3.53 2.47 0.29 -2.30 114.94 122.35 3h0r s ASN 116 Ca 0.24 2.20 -0.18 0.00 0.42 0.00 0.00 52.86 55.54 3h0r s ASN 116 Cb -0.15 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.10 3h0r s ASN 116 CO 0.12 -2.10 0.56 -1.48 -3.72 0.00 0.00 177.10 170.47 3h0r s LEU 117 N -5.19 0.01 0.52 3.21 2.34 -1.26 -2.18 118.68 116.12 3h0r s LEU 117 Ca 0.71 -0.52 -0.22 0.00 0.06 0.00 0.00 54.13 54.15 3h0r s LEU 117 Cb -0.25 2.23 -0.06 0.00 -0.56 0.00 0.00 46.19 47.55 3h0r s LEU 117 CO 0.45 -1.11 1.33 -1.81 -1.06 0.00 0.00 176.35 174.15 3h0r s ASP 118 N -2.89 5.49 0.06 1.48 1.01 -1.15 -3.34 116.67 117.34 3h0r s ASP 118 Ca 0.10 2.69 -0.30 0.00 0.71 0.00 0.00 52.55 55.75 3h0r s ASP 118 Cb -0.02 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3h0r s ASP 118 CO -0.01 -1.41 1.90 -0.70 0.21 0.00 0.00 175.17 175.16 3h0r s GLU 119 N -2.83 4.14 -1.41 8.23 2.12 -0.44 -0.95 118.70 127.56 3h0r s GLU 119 Ca 0.69 2.59 -0.08 0.00 0.36 0.00 0.00 54.97 58.53 3h0r s GLU 119 Cb -0.38 -3.95 0.04 0.00 0.26 0.00 0.00 34.13 30.10 3h0r s GLU 119 CO 0.46 -0.91 0.96 1.19 -0.54 0.00 0.00 175.26 176.42 3h0r n PHE 120 N 6.85 -2.32 -1.65 5.30 3.72 -0.47 -2.83 117.46 126.06 3h0r n PHE 120 Ca 0.19 0.92 -0.21 0.00 -0.05 0.00 0.00 57.45 58.30 3h0r n PHE 120 Cb 0.40 -4.42 -0.08 0.00 -0.94 0.00 0.00 39.48 34.44 3h0r n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h0r n ALA 121 N -4.60 -0.33 -3.78 4.37 0.00 -0.13 -4.87 120.51 111.16 3h0r n ALA 121 Ca -0.08 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 3h0r n ALA 121 Cb 0.58 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.87 3h0r n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h0r s MET 122 N -3.83 2.32 0.00 0.00 -1.94 -1.13 -4.67 119.30 110.06 3h0r s MET 122 Ca 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 55.69 51.60 3h0r s MET 122 Cb 0.00 -3.62 0.00 0.00 2.01 0.00 0.00 34.83 33.22 3h0r s MET 122 CO 0.00 -1.13 0.00 0.41 -0.01 0.00 0.00 175.02 174.29 3h0r n GLY 123 N 3.67 1.59 1.25 -0.03 0.00 -1.26 -4.55 105.19 105.87 3h0r n GLY 123 Ca 0.05 -1.44 0.03 0.00 0.00 0.00 0.00 46.02 44.66 3h0r n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0r n SER 124 N 0.00 1.49 0.00 1.61 7.64 -1.26 -2.64 113.62 120.46 3h0r n SER 124 Ca 0.00 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.06 3h0r n SER 124 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3h0r n SER 124 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h0r n SER 125 N -0.25 0.00 0.00 6.43 3.41 -1.23 -2.58 113.62 119.41 3h0r n SER 125 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3h0r n SER 125 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 3h0r n SER 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0r n THR 126 N 0.00 0.00 0.09 6.66 -1.04 -1.13 -4.14 114.28 114.73 3h0r n THR 126 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3h0r n THR 126 Cb 0.00 -0.01 0.75 0.00 -1.82 0.00 0.00 70.33 69.25 3h0r n THR 126 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h0r h GLU 127 N 1.54 0.00 -0.44 -2.82 5.08 -1.89 -0.96 114.58 115.10 3h0r h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0r h GLU 127 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h0r h GLU 127 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3h0r n TYR 128 N -3.74 0.57 -1.69 4.33 4.01 -1.26 -4.76 117.16 114.61 3h0r n TYR 128 Ca 0.07 -0.26 -0.44 0.00 -0.16 0.00 0.00 57.90 57.11 3h0r n TYR 128 Cb 0.60 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 3h0r n TYR 128 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h0r n SER 129 N 0.50 3.50 0.00 7.72 2.88 -0.36 -1.33 113.62 126.53 3h0r n SER 129 Ca 0.12 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.84 3h0r n SER 129 Cb 0.37 -1.49 0.57 0.00 -0.75 0.00 0.00 64.21 62.91 3h0r n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0r n ALA 130 N 3.65 2.17 -0.10 -1.46 0.00 -0.67 -3.89 120.51 120.21 3h0r n ALA 130 Ca 0.16 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3h0r n ALA 130 Cb 0.31 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 3h0r n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h0r n PHE 131 N -1.21 0.00 0.00 0.00 3.72 -1.26 -4.91 117.46 113.80 3h0r n PHE 131 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3h0r n PHE 131 Cb 0.15 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 3h0r n PHE 131 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3h0r n PHE 132 N -3.66 0.00 -2.20 1.38 -1.74 -1.25 -5.16 117.46 104.83 3h0r n PHE 132 Ca -0.39 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.11 3h0r n PHE 132 Cb 0.82 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.80 3h0r n PHE 132 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 3h0r s PRO 133 N -1.86 4.04 0.26 3.97 0.04 -1.26 -4.67 135.00 135.52 3h0r s PRO 133 Ca 0.00 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 3h0r s PRO 133 Cb 0.00 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 3h0r s PRO 133 CO 0.00 -0.37 0.63 0.99 0.04 0.00 0.00 177.00 178.29 3h0r s THR 134 N -1.34 4.81 0.08 1.26 2.01 -1.26 -4.80 115.64 116.41 3h0r s THR 134 Ca 0.56 0.71 0.10 0.00 0.31 0.00 0.00 61.69 63.37 3h0r s THR 134 Cb -0.34 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3h0r s THR 134 CO 0.43 -0.10 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.48 3h0r s LYS 135 N -2.83 1.70 -0.18 4.92 1.02 0.09 -4.40 119.74 120.06 3h0r s LYS 135 Ca 0.50 -1.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 3h0r s LYS 135 Cb -0.11 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3h0r s LYS 135 CO 0.19 0.49 1.70 1.21 -0.92 0.00 0.00 175.35 178.03 3h0r s ASN 136 N -1.68 6.33 0.00 2.83 3.84 0.09 -4.73 114.94 121.62 3h0r s ASN 136 Ca 0.14 1.79 0.05 0.00 0.21 0.00 0.00 52.86 55.05 3h0r s ASN 136 Cb -0.10 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.32 3h0r s ASN 136 CO 0.05 -1.27 0.96 -0.81 -2.79 0.00 0.00 177.10 173.24 3h0r n PRO 137 N 7.69 0.08 0.00 0.43 -0.04 -1.26 -1.10 135.00 140.81 3h0r n PRO 137 Ca 0.20 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 3h0r n PRO 137 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 3h0r n PRO 137 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h0r n TRP 138 N -1.24 0.03 -3.15 0.54 7.02 -1.26 -4.53 117.44 114.84 3h0r n TRP 138 Ca 0.03 0.01 0.05 0.00 -1.02 0.00 0.00 57.50 56.56 3h0r n TRP 138 Cb 0.04 -0.16 -0.01 0.00 -2.42 0.00 0.00 31.31 28.75 3h0r n TRP 138 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h0r s ASP 139 N -3.43 -0.73 0.00 -0.99 -1.08 -0.25 -4.91 116.67 105.27 3h0r s ASP 139 Ca 0.04 0.26 0.19 0.00 -0.52 0.00 0.00 52.55 52.52 3h0r s ASP 139 Cb 0.15 1.53 1.14 0.00 -1.46 0.00 0.00 42.92 44.29 3h0r s ASP 139 CO 0.87 -0.14 1.55 0.18 0.52 0.00 0.00 175.17 178.15 3h0r n LEU 140 N 5.33 0.00 -0.05 -1.34 4.77 -0.92 0.26 117.00 125.05 3h0r n LEU 140 Ca 0.01 0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 3h0r n LEU 140 Cb 0.55 -0.02 0.61 0.00 -2.33 0.00 0.00 43.42 42.23 3h0r n LEU 140 CO -0.10 -0.01 0.88 -0.62 -1.33 0.00 0.00 177.39 176.21 3h0r n GLU 141 N -1.02 0.41 -4.35 3.23 1.02 -1.26 -4.75 120.64 113.93 3h0r n GLU 141 Ca 0.14 -0.10 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 3h0r n GLU 141 Cb 0.07 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.89 3h0r n GLU 141 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3h0r s ARG 142 N -2.66 1.78 0.44 3.49 0.52 0.14 -3.37 118.95 119.29 3h0r s ARG 142 Ca 0.24 -1.35 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 3h0r s ARG 142 Cb 0.20 -2.02 -0.10 0.00 0.52 0.00 0.00 34.95 33.54 3h0r s ARG 142 CO 0.51 0.43 0.96 0.14 0.02 0.00 0.00 175.30 177.36 3h0r s VAL 143 N -1.56 4.31 -2.43 3.52 -7.23 -0.38 -0.73 120.40 115.89 3h0r s VAL 143 Ca 0.22 1.42 0.26 0.00 -1.81 0.00 0.00 61.98 62.07 3h0r s VAL 143 Cb -0.09 -3.58 0.54 0.00 0.56 0.00 0.00 36.38 33.81 3h0r s VAL 143 CO 0.12 -0.33 1.71 -0.81 -0.31 0.00 0.00 175.10 175.48 3h0r n PRO 144 N -0.75 1.66 0.00 4.82 -0.04 -1.26 -4.47 135.00 134.96 3h0r n PRO 144 Ca 0.07 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 3h0r n PRO 144 Cb 0.54 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3h0r n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0r n GLY 145 N 1.16 -3.21 3.61 0.55 0.00 -1.26 -4.33 105.19 101.71 3h0r n GLY 145 Ca 0.18 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 3h0r n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0r s GLY 146 N -0.52 -0.38 0.22 -0.02 0.00 -1.06 -2.82 107.32 102.74 3h0r s GLY 146 Ca 0.00 0.55 0.19 0.00 0.00 0.00 0.00 44.72 45.46 3h0r s GLY 146 CO 0.00 0.17 1.18 1.48 0.00 0.00 0.00 173.10 175.93 3h0r h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.59 -3.39 113.55 116.85 3h0r h SER 147 Ca -0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3h0r h SER 147 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3h0r h SER 147 CO 0.29 0.30 -0.02 -1.20 -0.87 0.00 0.00 176.83 175.33 3h0r n SER 148 N -2.95 3.30 0.03 4.97 7.64 -0.89 -2.92 113.62 122.79 3h0r n SER 148 Ca -0.02 -1.98 -0.10 0.00 1.01 0.00 0.00 58.87 57.78 3h0r n SER 148 Cb 0.68 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 3h0r n SER 148 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h0r h GLY 149 N 4.28 -0.30 1.77 0.23 0.00 -1.69 -2.25 103.07 105.10 3h0r h GLY 149 Ca 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 3h0r h GLY 149 CO 0.15 -0.20 -0.10 -1.33 0.00 0.00 0.00 176.54 175.06 3h0r h GLY 150 N -0.34 0.31 1.56 4.60 0.00 -1.65 -1.27 103.07 106.29 3h0r h GLY 150 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3h0r h GLY 150 CO -0.26 0.18 -0.67 1.76 0.00 0.00 0.00 176.54 177.54 3h0r h SER 151 N 0.28 0.51 0.12 0.19 0.02 -1.63 -1.86 113.55 111.17 3h0r h SER 151 Ca 0.06 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3h0r h SER 151 Cb 0.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3h0r h SER 151 CO 0.02 1.03 -0.06 0.00 -1.14 0.00 0.00 176.83 176.68 3h0r h ALA 152 N 0.96 -0.17 -0.41 3.77 0.00 -1.25 -3.17 119.26 119.00 3h0r h ALA 152 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.73 3h0r h ALA 152 Cb 1.23 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3h0r h ALA 152 CO 0.12 -0.32 0.05 0.00 0.00 0.00 0.00 179.25 179.09 3h0r h ALA 153 N 0.03 0.42 0.00 0.00 0.00 -1.17 -0.67 119.26 117.87 3h0r h ALA 153 Ca -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3h0r h ALA 153 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3h0r h ALA 153 CO 0.03 -0.35 -0.20 0.66 0.00 0.00 0.00 179.25 179.39 3h0r h SER 154 N 0.16 0.00 1.17 0.00 4.64 -1.46 -0.18 113.55 117.89 3h0r h SER 154 Ca 0.20 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 3h0r h SER 154 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3h0r h SER 154 CO -0.30 0.20 -0.76 0.58 -0.87 0.00 0.00 176.83 175.68 3h0r h VAL 155 N 0.00 1.33 0.21 0.95 2.07 -1.22 -0.79 116.25 118.79 3h0r h VAL 155 Ca -0.00 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 64.71 3h0r h VAL 155 Cb 0.53 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3h0r h VAL 155 CO 0.03 0.74 -0.10 0.00 0.02 0.00 0.00 177.57 178.25 3h0r h ALA 156 N 1.24 -0.28 0.00 1.67 0.00 0.36 -3.19 119.26 119.06 3h0r h ALA 156 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h0r h ALA 156 Cb 1.55 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3h0r h ALA 156 CO 0.10 -0.42 0.00 1.33 0.00 0.00 0.00 179.25 180.26 3h0r n VAL 157 N -5.01 0.71 -2.52 0.00 0.24 -0.49 -4.59 118.33 106.67 3h0r n VAL 157 Ca -0.09 0.06 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 3h0r n VAL 157 Cb 0.26 -0.92 0.01 0.00 -1.47 0.00 0.00 33.84 31.72 3h0r n VAL 157 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h0r n LEU 158 N -2.11 -1.95 0.08 1.34 4.77 -0.62 -4.89 117.00 113.62 3h0r n LEU 158 Ca 0.04 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3h0r n LEU 158 Cb 0.29 -1.90 0.44 0.00 -2.33 0.00 0.00 43.42 39.92 3h0r n LEU 158 CO 0.23 0.04 0.83 -1.54 -1.33 0.00 0.00 177.39 175.62 3h0r n SER 159 N -0.52 0.46 -3.76 -1.43 3.41 -0.40 -4.67 113.62 106.71 3h0r n SER 159 Ca -0.09 0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 58.98 3h0r n SER 159 Cb 0.58 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 3h0r n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0r s ALA 160 N -3.18 -0.79 0.15 7.33 0.00 -0.96 -4.69 121.76 119.62 3h0r s ALA 160 Ca 0.07 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.54 3h0r s ALA 160 Cb 0.10 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.34 3h0r s ALA 160 CO 0.40 -0.25 1.47 -1.00 0.00 0.00 0.00 175.76 176.38 3h0r h PRO 161 N 4.12 0.00 -3.30 0.00 0.13 -1.83 -3.35 132.00 127.77 3h0r h PRO 161 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3h0r h PRO 161 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 3h0r h PRO 161 CO 0.38 0.74 -0.27 0.54 -0.23 0.00 0.00 178.00 179.16 3h0r s VAL 162 N -3.16 0.08 0.04 1.56 0.11 -1.26 -4.27 120.40 113.50 3h0r s VAL 162 Ca 0.00 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 3h0r s VAL 162 Cb 0.11 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3h0r s VAL 162 CO 0.78 -0.38 0.31 -0.55 -3.33 0.00 0.00 175.10 171.93 3h0r s SER 163 N -1.96 -0.14 -0.12 3.54 0.15 -0.20 -2.65 113.70 112.32 3h0r s SER 163 Ca -0.06 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3h0r s SER 163 Cb -0.02 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 3h0r s SER 163 CO -0.02 -0.61 -0.15 -0.76 1.20 0.00 0.00 173.24 172.89 3h0r s LEU 164 N -2.03 2.59 0.00 3.45 1.02 -0.66 -1.18 118.68 121.87 3h0r s LEU 164 Ca -0.05 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.74 3h0r s LEU 164 Cb -0.01 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 3h0r s LEU 164 CO -0.03 0.16 0.05 0.61 0.02 0.00 0.00 176.35 177.16 3h0r n GLY 165 N 3.52 3.77 3.23 -3.19 0.00 -0.79 -1.79 105.19 109.95 3h0r n GLY 165 Ca -0.18 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 3h0r n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0r s SER 166 N -2.13 1.80 -0.20 1.61 1.04 -1.26 -1.28 113.70 113.28 3h0r s SER 166 Ca 0.07 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 3h0r s SER 166 Cb 0.00 -0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.16 3h0r s SER 166 CO 0.05 -0.25 0.07 -0.62 0.98 0.00 0.00 173.24 173.46 3h0r s ASP 167 N -2.78 2.76 -0.19 7.02 -1.08 0.05 -3.17 116.67 119.28 3h0r s ASP 167 Ca 0.12 -0.80 0.14 0.00 -0.52 0.00 0.00 52.55 51.49 3h0r s ASP 167 Cb -0.01 -0.44 -0.21 0.00 -1.46 0.00 0.00 42.92 40.79 3h0r s ASP 167 CO 0.01 -0.34 0.03 0.41 0.52 0.00 0.00 175.17 175.80 3h0r n THR 168 N 5.15 1.26 -2.02 1.71 -1.04 -1.26 -1.93 114.28 116.15 3h0r n THR 168 Ca -0.08 -0.73 -0.01 0.00 -2.04 0.00 0.00 64.05 61.19 3h0r n THR 168 Cb 0.47 -0.63 -0.01 0.00 -1.82 0.00 0.00 70.33 68.34 3h0r n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h0r n GLY 169 N 1.95 0.84 0.00 3.41 0.00 -1.26 -4.65 105.19 105.48 3h0r n GLY 169 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3h0r n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0r n GLY 170 N 0.02 0.59 0.00 -0.02 0.00 -1.26 -3.34 105.19 101.17 3h0r n GLY 170 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 3h0r n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0r n SER 171 N 0.00 0.00 -0.12 1.61 7.64 -1.26 -0.87 113.62 120.62 3h0r n SER 171 Ca 0.00 0.27 -0.22 0.00 1.01 0.00 0.00 58.87 59.93 3h0r n SER 171 Cb 0.00 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 3h0r n SER 171 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3h0r n ILE 172 N -1.40 1.52 -0.08 0.44 5.41 -1.19 -2.10 119.36 121.96 3h0r n ILE 172 Ca 0.07 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.57 3h0r n ILE 172 Cb 0.19 -2.05 -0.03 0.00 -0.71 0.00 0.00 39.64 37.04 3h0r n ILE 172 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h0r h ARG 173 N -1.00 0.39 -0.41 0.38 3.08 -1.70 -1.61 114.38 113.52 3h0r h ARG 173 Ca -0.43 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.42 3h0r h ARG 173 Cb 1.32 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3h0r h ARG 173 CO -0.26 0.39 -0.27 -0.56 -1.07 0.00 0.00 179.97 178.20 3h0r h GLN 174 N 0.29 0.90 -0.58 0.04 -0.00 -1.30 0.52 115.11 114.99 3h0r h GLN 174 Ca 0.09 -0.43 -0.02 0.00 -0.00 0.00 0.00 58.65 58.30 3h0r h GLN 174 Cb 0.14 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.58 3h0r h GLN 174 CO -0.01 1.08 0.29 -1.35 -0.00 0.00 0.00 178.83 178.84 3h0r h PRO 175 N 0.72 0.81 -0.72 0.06 0.11 -1.74 -1.32 132.00 129.91 3h0r h PRO 175 Ca 0.08 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.12 3h0r h PRO 175 Cb 0.85 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 3h0r h PRO 175 CO 0.07 0.62 0.46 0.00 -0.21 0.00 0.00 178.00 178.94 3h0r h ALA 176 N 1.51 0.94 0.19 -0.75 0.00 -0.46 0.51 119.26 121.20 3h0r h ALA 176 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h0r h ALA 176 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h0r h ALA 176 CO -0.03 0.26 -0.09 1.03 0.00 0.00 0.00 179.25 180.42 3h0r h SER 177 N 0.91 -0.22 0.27 0.00 0.87 -0.54 -1.18 113.55 113.65 3h0r h SER 177 Ca 0.28 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3h0r h SER 177 Cb -0.01 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3h0r h SER 177 CO -0.10 -0.02 -0.28 -0.26 -0.53 0.00 0.00 176.83 175.63 3h0r h PHE 178 N -0.41 0.03 -0.20 2.24 -1.00 -0.97 -2.88 116.94 113.75 3h0r h PHE 178 Ca -0.03 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3h0r h PHE 178 Cb 0.31 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3h0r h PHE 178 CO -0.02 0.31 0.00 0.00 -1.61 0.00 0.00 178.31 176.99 3h0r n GLY 180 N 1.43 0.18 3.06 0.00 0.00 -0.57 -4.72 105.19 104.57 3h0r n GLY 180 Ca 0.17 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3h0r n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0r s VAL 181 N -3.16 0.21 0.13 1.61 1.01 -0.55 -4.90 120.40 114.76 3h0r s VAL 181 Ca 0.17 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 3h0r s VAL 181 Cb -0.08 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 3h0r s VAL 181 CO 0.34 -0.85 1.03 -0.63 0.00 0.00 0.00 175.10 174.99 3h0r s ILE 182 N -3.18 4.25 -0.11 2.22 1.01 0.84 -4.33 121.20 121.90 3h0r s ILE 182 Ca 0.00 1.87 -0.04 0.00 0.00 0.00 0.00 60.65 62.48 3h0r s ILE 182 Cb 0.03 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.36 3h0r s ILE 182 CO -0.07 0.29 0.23 -0.83 0.00 0.00 0.00 174.94 174.56 3h0r s GLY 183 N 0.05 -0.08 -0.06 6.18 0.00 -0.77 -0.64 107.32 112.00 3h0r s GLY 183 Ca 0.49 0.86 0.06 0.00 0.00 0.00 0.00 44.72 46.12 3h0r s GLY 183 CO 0.32 1.67 -0.24 -1.50 0.00 0.00 0.00 173.10 173.35 3h0r s ILE 184 N 2.04 2.19 -0.28 0.90 2.07 -0.36 -0.71 121.20 127.05 3h0r s ILE 184 Ca -0.02 -1.02 -0.05 0.00 -1.41 0.00 0.00 60.65 58.15 3h0r s ILE 184 Cb -0.12 -1.80 0.02 0.00 0.13 0.00 0.00 42.46 40.69 3h0r s ILE 184 CO -0.08 0.57 0.04 -0.75 -1.91 0.00 0.00 174.94 172.81 3h0r s LYS 185 N -0.24 2.96 1.12 3.50 2.20 -0.24 -1.92 119.74 127.12 3h0r s LYS 185 Ca -0.01 -0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 54.49 3h0r s LYS 185 Cb -0.13 -3.26 0.26 0.00 -1.51 0.00 0.00 37.83 33.19 3h0r s LYS 185 CO 0.03 -0.45 1.19 -1.25 -0.36 0.00 0.00 175.35 174.50 3h0r s PRO 186 N 1.43 -0.60 0.37 4.03 0.04 -1.26 -0.96 135.00 138.04 3h0r s PRO 186 Ca 0.01 -0.20 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 3h0r s PRO 186 Cb -0.17 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 3h0r s PRO 186 CO 0.00 -3.28 1.18 2.41 0.04 0.00 0.00 177.00 177.35 3h0r n THR 187 N -4.42 2.22 -1.68 1.26 -1.04 -1.26 -4.33 114.28 105.03 3h0r n THR 187 Ca 0.14 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 61.19 3h0r n THR 187 Cb 0.59 -1.38 -0.04 0.00 -1.82 0.00 0.00 70.33 67.68 3h0r n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h0r n TYR 188 N 0.01 2.38 0.00 -1.42 9.36 -0.62 -1.09 117.16 125.77 3h0r n TYR 188 Ca 0.07 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3h0r n TYR 188 Cb 0.37 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.40 3h0r n TYR 188 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h0r n GLY 189 N 4.31 1.57 0.16 2.98 0.00 -1.26 -4.92 105.19 108.04 3h0r n GLY 189 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3h0r n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0r h ARG 190 N 2.58 0.00 -5.05 1.61 2.43 -1.44 -1.51 114.38 113.00 3h0r h ARG 190 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 3h0r h ARG 190 Cb 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 3h0r h ARG 190 CO 0.00 0.48 -0.82 0.08 -1.51 0.00 0.00 179.97 178.20 3h0r s VAL 191 N -3.66 1.21 0.63 0.20 1.01 -1.25 -4.26 120.40 114.28 3h0r s VAL 191 Ca -0.01 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3h0r s VAL 191 Cb 0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3h0r s VAL 191 CO 0.72 0.36 1.19 -0.24 0.00 0.00 0.00 175.10 177.13 3h0r n SER 192 N 3.21 1.71 -0.85 3.32 2.88 -1.26 -4.74 113.62 117.88 3h0r n SER 192 Ca -0.18 0.83 0.07 0.00 -1.33 0.00 0.00 58.87 58.26 3h0r n SER 192 Cb 0.53 -1.51 0.21 0.00 -0.75 0.00 0.00 64.21 62.70 3h0r n SER 192 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h0r n ARG 193 N -1.56 2.99 -2.12 -1.46 1.74 -1.26 -4.72 116.66 110.27 3h0r n ARG 193 Ca 0.15 -2.40 -0.43 0.00 -0.77 0.00 0.00 57.85 54.40 3h0r n ARG 193 Cb 0.48 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 3h0r n ARG 193 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3h0r s TYR 194 N -1.60 2.06 0.00 -1.55 5.04 -1.26 -2.19 117.35 117.85 3h0r s TYR 194 Ca 0.33 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 3h0r s TYR 194 Cb 0.21 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.41 3h0r s TYR 194 CO 0.16 -2.71 0.00 0.41 -1.34 0.00 0.00 175.55 172.06 3h0r n GLY 195 N 5.06 0.81 3.59 8.97 0.00 -1.26 -1.44 105.19 120.92 3h0r n GLY 195 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3h0r n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h0r s LEU 196 N 0.00 4.11 -0.07 0.99 2.96 -0.93 -1.18 118.68 124.56 3h0r s LEU 196 Ca 0.00 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 3h0r s LEU 196 Cb 0.00 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 3h0r s LEU 196 CO 0.00 -0.16 1.94 -0.69 -1.32 0.00 0.00 176.35 176.12 3h0r s VAL 197 N 1.92 3.19 0.12 1.68 1.01 0.15 -4.88 120.40 123.60 3h0r s VAL 197 Ca 0.11 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 3h0r s VAL 197 Cb -0.16 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3h0r s VAL 197 CO 0.11 -0.05 1.43 0.00 0.00 0.00 0.00 175.10 176.58 3h0r s ALA 198 N 5.44 3.63 0.00 5.51 0.00 -1.26 -4.95 121.76 130.13 3h0r s ALA 198 Ca 0.87 1.17 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3h0r s ALA 198 Cb -0.36 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3h0r s ALA 198 CO 0.37 -0.65 0.00 0.34 0.00 0.00 0.00 175.76 175.81 3h0r n PHE 199 N 3.98 0.00 -4.04 0.00 7.35 -1.26 -4.78 117.46 118.70 3h0r n PHE 199 Ca 0.12 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.49 3h0r n PHE 199 Cb 0.41 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.09 3h0r n PHE 199 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h0r s ALA 200 N -4.00 2.47 0.36 3.13 0.00 -1.26 -2.75 121.76 119.70 3h0r s ALA 200 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.29 3h0r s ALA 200 Cb 0.00 -1.58 0.74 0.00 0.00 0.00 0.00 23.12 22.28 3h0r s ALA 200 CO 0.00 -1.23 1.94 0.77 0.00 0.00 0.00 175.76 177.24 3h0r h SER 201 N 7.80 0.68 0.34 0.00 0.02 -1.93 0.53 113.55 120.99 3h0r h SER 201 Ca -0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3h0r h SER 201 Cb 1.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3h0r h SER 201 CO 0.45 0.42 -0.14 -1.54 -1.14 0.00 0.00 176.83 174.88 3h0r n SER 202 N -4.49 0.60 -0.02 3.07 3.41 -1.26 -4.12 113.62 110.80 3h0r n SER 202 Ca 0.12 -0.63 -0.03 0.00 -0.26 0.00 0.00 58.87 58.07 3h0r n SER 202 Cb 0.27 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 3h0r n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h0r n LEU 203 N -0.89 0.66 -4.69 1.04 4.77 -0.60 -4.97 117.00 112.30 3h0r n LEU 203 Ca 0.14 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 3h0r n LEU 203 Cb 0.29 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3h0r n LEU 203 CO 0.24 0.22 0.91 0.47 -1.33 0.00 0.00 177.39 177.91 3h0r n ASP 204 N -2.29 2.76 -3.70 -1.43 8.00 0.08 -4.46 116.55 115.51 3h0r n ASP 204 Ca -0.08 1.20 -0.11 0.00 0.71 0.00 0.00 54.79 56.51 3h0r n ASP 204 Cb 0.65 -1.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.16 3h0r n ASP 204 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h0r s GLN 205 N -1.71 0.42 0.47 -1.24 2.00 -0.81 -4.86 119.66 113.93 3h0r s GLN 205 Ca 0.57 0.76 -0.24 0.00 -2.00 0.00 0.00 55.36 54.45 3h0r s GLN 205 Cb -0.58 0.03 -0.07 0.00 0.80 0.00 0.00 33.01 33.19 3h0r s GLN 205 CO 0.61 -0.14 1.34 0.42 -0.50 0.00 0.00 175.29 177.02 3h0r s ILE 206 N 1.18 2.32 0.01 -2.34 1.01 -1.26 -0.77 121.20 121.35 3h0r s ILE 206 Ca -0.08 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.84 3h0r s ILE 206 Cb -0.07 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3h0r s ILE 206 CO -0.10 0.02 0.01 0.61 0.00 0.00 0.00 174.94 175.48 3h0r n GLY 207 N 0.63 3.03 3.06 6.18 0.00 -0.40 -4.48 105.19 113.21 3h0r n GLY 207 Ca 0.07 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 3h0r n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0r s VAL 208 N -2.48 1.04 0.00 1.61 1.01 -0.81 -1.89 120.40 118.88 3h0r s VAL 208 Ca 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3h0r s VAL 208 Cb -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3h0r s VAL 208 CO 0.00 0.31 -0.04 -0.36 0.00 0.00 0.00 175.10 175.02 3h0r s PHE 209 N 0.02 2.97 0.32 5.22 0.08 -0.32 -1.22 117.98 125.05 3h0r s PHE 209 Ca -0.01 0.02 -0.18 0.00 0.12 0.00 0.00 56.93 56.88 3h0r s PHE 209 Cb -0.09 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 3h0r s PHE 209 CO 0.01 0.41 0.86 0.20 -0.10 0.00 0.00 175.22 176.61 3h0r s GLY 210 N -1.49 0.28 -0.03 4.36 0.00 0.19 -1.04 107.32 109.60 3h0r s GLY 210 Ca 0.18 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.33 3h0r s GLY 210 CO 0.09 0.50 0.07 0.54 0.00 0.00 0.00 173.10 174.30 3h0r n ARG 211 N -0.58 1.51 -4.96 2.90 1.74 -1.26 -0.11 116.66 115.90 3h0r n ARG 211 Ca -0.07 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 3h0r n ARG 211 Cb 0.60 -1.13 -0.14 0.00 -1.02 0.00 0.00 32.46 30.77 3h0r n ARG 211 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h0r s ARG 212 N -2.26 2.40 0.44 5.56 0.52 -1.26 -4.45 118.95 119.91 3h0r s ARG 212 Ca -0.02 -0.75 0.10 0.00 -0.52 0.00 0.00 55.73 54.54 3h0r s ARG 212 Cb 0.03 -2.30 0.98 0.00 0.52 0.00 0.00 34.95 34.17 3h0r s ARG 212 CO 0.22 0.61 2.06 1.15 0.02 0.00 0.00 175.30 179.36 3h0r h THR 213 N 4.35 1.08 -0.30 0.02 2.02 -1.93 -1.95 112.91 116.21 3h0r h THR 213 Ca -0.46 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 3h0r h THR 213 Cb 1.15 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3h0r h THR 213 CO 0.49 0.09 -0.33 -0.33 0.37 0.00 0.00 175.52 175.81 3h0r h GLU 214 N 0.32 0.65 0.03 6.66 5.08 -1.95 -0.44 114.58 124.93 3h0r h GLU 214 Ca 0.08 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3h0r h GLU 214 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3h0r h GLU 214 CO -0.01 0.89 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.24 3h0r h ASP 215 N 0.55 -0.61 -0.46 1.42 5.19 -1.79 -1.44 116.42 119.28 3h0r h ASP 215 Ca 0.06 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 3h0r h ASP 215 Cb 0.84 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 3h0r h ASP 215 CO 0.07 -0.28 0.17 0.58 -3.12 0.00 0.00 179.24 176.66 3h0r h VAL 216 N -0.35 1.21 -0.66 -1.35 2.07 -1.34 -2.17 116.25 113.67 3h0r h VAL 216 Ca 0.05 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3h0r h VAL 216 Cb 0.41 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3h0r h VAL 216 CO -0.17 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.11 3h0r h ALA 217 N 1.02 1.54 0.03 1.67 0.00 -0.98 -1.34 119.26 121.19 3h0r h ALA 217 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h0r h ALA 217 Cb 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h0r h ALA 217 CO -0.01 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 180.90 3h0r h LEU 218 N 0.88 -0.03 -0.68 0.00 5.85 -1.00 -2.08 115.31 118.26 3h0r h LEU 218 Ca 0.24 -0.66 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3h0r h LEU 218 Cb -0.09 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3h0r h LEU 218 CO -0.05 0.68 0.40 0.58 -0.34 0.00 0.00 178.44 179.71 3h0r h VAL 219 N -0.77 1.03 -0.83 1.05 2.07 -1.32 -1.54 116.25 115.93 3h0r h VAL 219 Ca -0.00 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3h0r h VAL 219 Cb 0.69 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3h0r h VAL 219 CO 0.01 0.14 0.55 0.25 0.02 0.00 0.00 177.57 178.54 3h0r h LEU 220 N 0.77 0.95 -0.54 2.57 5.85 -1.32 -2.58 115.31 121.01 3h0r h LEU 220 Ca 0.29 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3h0r h LEU 220 Cb 0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3h0r h LEU 220 CO -0.14 0.69 0.34 -0.08 -0.34 0.00 0.00 178.44 178.91 3h0r h GLU 221 N 1.13 0.73 -0.13 1.25 4.81 -0.57 -3.07 114.58 118.72 3h0r h GLU 221 Ca 0.31 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3h0r h GLU 221 Cb -0.13 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3h0r h GLU 221 CO -0.07 0.51 0.08 0.28 -0.73 0.00 0.00 179.01 179.08 3h0r h VAL 222 N 0.73 1.07 -0.28 0.32 2.07 -1.10 -3.29 116.25 115.77 3h0r h VAL 222 Ca 0.20 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3h0r h VAL 222 Cb -0.04 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3h0r h VAL 222 CO -0.04 0.06 0.15 2.30 0.02 0.00 0.00 177.57 180.07 3h0r n ILE 223 N -4.97 1.48 -0.05 4.57 -5.35 -0.99 -4.60 119.36 109.46 3h0r n ILE 223 Ca -0.05 -0.56 -0.05 0.00 -0.27 0.00 0.00 62.75 61.82 3h0r n ILE 223 Cb 0.05 -0.73 -0.02 0.00 -1.74 0.00 0.00 39.64 37.20 3h0r n ILE 223 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3h0r n SER 224 N 0.04 1.13 -2.98 7.28 2.88 -1.24 -4.57 113.62 116.15 3h0r n SER 224 Ca 0.16 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 3h0r n SER 224 Cb 0.79 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3h0r n SER 224 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h0r n GLY 225 N 1.60 -0.44 3.72 0.46 0.00 -1.26 -3.85 105.19 105.41 3h0r n GLY 225 Ca -0.08 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 3h0r n GLY 225 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h0r n TRP 226 N 0.00 2.22 -4.08 1.61 -0.00 -1.25 -4.47 117.44 111.48 3h0r n TRP 226 Ca 0.00 0.47 -0.24 0.00 -0.00 0.00 0.00 57.50 57.73 3h0r n TRP 226 Cb 0.00 -2.38 -0.17 0.00 -0.00 0.00 0.00 31.31 28.76 3h0r n TRP 226 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3h0r s ASP 227 N -0.63 1.65 0.56 5.87 2.15 -1.26 -5.01 116.67 119.99 3h0r s ASP 227 Ca 0.64 -0.21 0.35 0.00 0.43 0.00 0.00 52.55 53.76 3h0r s ASP 227 Cb -0.47 -0.65 1.45 0.00 -0.30 0.00 0.00 42.92 42.95 3h0r s ASP 227 CO 0.55 -0.09 2.02 1.05 -0.17 0.00 0.00 175.17 178.53 3h0r h GLU 228 N 7.71 0.00 -0.00 4.34 4.11 -1.96 -1.80 114.58 126.97 3h0r h GLU 228 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3h0r h GLU 228 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h0r h GLU 228 CO 0.41 0.00 -0.02 1.63 0.07 0.00 0.00 179.01 181.10 3h0r n LYS 229 N -3.10 1.05 -3.86 1.06 5.02 -1.26 -4.69 118.16 112.39 3h0r n LYS 229 Ca 0.00 -0.27 -0.29 0.00 -2.02 0.00 0.00 58.31 55.73 3h0r n LYS 229 Cb 0.29 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 3h0r n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h0r s ASP 230 N -2.14 3.37 0.45 4.39 -1.08 -0.68 -4.80 116.67 116.19 3h0r s ASP 230 Ca 0.40 -0.98 0.13 0.00 -0.52 0.00 0.00 52.55 51.59 3h0r s ASP 230 Cb 0.21 -0.93 1.02 0.00 -1.46 0.00 0.00 42.92 41.77 3h0r s ASP 230 CO 0.39 -0.26 2.02 0.28 0.52 0.00 0.00 175.17 178.13 3h0r h SER 231 N 8.08 0.07 0.26 -0.34 0.02 -1.84 -2.61 113.55 117.19 3h0r h SER 231 Ca -0.18 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3h0r h SER 231 Cb 1.09 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3h0r h SER 231 CO 0.38 0.18 -0.34 0.35 -1.14 0.00 0.00 176.83 176.26 3h0r n THR 232 N -4.38 0.00 -2.52 -2.27 -2.24 -1.26 -4.88 114.28 96.73 3h0r n THR 232 Ca -0.02 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 3h0r n THR 232 Cb 0.20 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3h0r n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h0r s SER 233 N -2.61 7.32 0.18 3.42 1.04 -0.99 -4.43 113.70 117.64 3h0r s SER 233 Ca 0.21 2.20 -0.18 0.00 0.48 0.00 0.00 55.95 58.66 3h0r s SER 233 Cb 0.19 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.61 3h0r s SER 233 CO 0.57 -0.11 0.65 0.00 0.98 0.00 0.00 173.24 175.32 3h0r s ALA 234 N -1.01 3.49 -1.37 5.32 0.00 -0.57 -4.75 121.76 122.87 3h0r s ALA 234 Ca 0.45 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 3h0r s ALA 234 Cb -0.31 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.21 3h0r s ALA 234 CO 0.39 0.38 2.09 1.63 0.00 0.00 0.00 175.76 180.24 3h0r n LYS 235 N 0.89 3.36 -4.46 0.00 5.02 -1.26 -3.87 118.16 117.85 3h0r n LYS 235 Ca -0.04 -3.10 -0.23 0.00 -2.02 0.00 0.00 58.31 52.92 3h0r n LYS 235 Cb 0.51 -3.05 -0.16 0.00 -0.02 0.00 0.00 35.03 32.31 3h0r n LYS 235 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h0r s VAL 236 N 1.51 0.93 0.38 -0.18 1.01 -1.26 -5.08 120.40 117.70 3h0r s VAL 236 Ca 0.44 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 3h0r s VAL 236 Cb 0.12 -0.85 -0.11 0.00 0.00 0.00 0.00 36.38 35.54 3h0r s VAL 236 CO -0.04 0.30 1.50 -2.16 0.00 0.00 0.00 175.10 174.70 3h0r s PRO 237 N 0.57 4.10 -0.17 2.72 0.04 -1.26 -4.53 135.00 136.46 3h0r s PRO 237 Ca -0.11 2.59 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 3h0r s PRO 237 Cb -0.14 -2.96 -0.00 0.00 0.04 0.00 0.00 34.50 31.44 3h0r s PRO 237 CO 0.02 -0.56 0.98 0.08 0.04 0.00 0.00 177.00 177.57 3h0r s VAL 238 N -1.07 4.76 0.52 -0.36 1.01 -1.26 -5.03 120.40 118.97 3h0r s VAL 238 Ca 0.53 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 64.25 3h0r s VAL 238 Cb -0.47 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 3h0r s VAL 238 CO 0.63 -0.07 1.23 -2.84 0.00 0.00 0.00 175.10 174.05 3h0r s PRO 239 N 2.55 3.35 -1.25 2.72 0.02 -1.26 -4.89 135.00 136.24 3h0r s PRO 239 Ca 0.44 1.90 -0.19 0.00 0.02 0.00 0.00 61.00 63.17 3h0r s PRO 239 Cb -0.17 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3h0r s PRO 239 CO 0.12 -0.92 1.86 0.39 -0.33 0.00 0.00 177.00 178.11 3h0r n GLU 240 N -0.99 2.58 0.01 5.54 1.02 -1.26 -4.78 120.64 122.76 3h0r n GLU 240 Ca 0.10 -2.89 -0.02 0.00 -0.02 0.00 0.00 57.16 54.34 3h0r n GLU 240 Cb 0.48 -3.52 0.25 0.00 -0.02 0.00 0.00 31.44 28.63 3h0r n GLU 240 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3h0r h TRP 241 N 8.10 0.52 -0.28 -0.32 6.55 -1.90 -2.23 115.95 126.40 3h0r h TRP 241 Ca 0.39 -0.08 -0.00 0.00 0.95 0.00 0.00 58.89 60.14 3h0r h TRP 241 Cb 0.86 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 29.00 3h0r h TRP 241 CO 1.35 0.60 0.15 0.66 -1.05 0.00 0.00 178.44 180.16 3h0r h SER 242 N 0.45 0.33 0.12 -3.49 4.64 -1.86 -0.78 113.55 112.96 3h0r h SER 242 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3h0r h SER 242 Cb 0.50 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3h0r h SER 242 CO 0.03 0.27 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.47 3h0r n GLU 243 N -4.46 1.22 -0.04 4.77 -0.58 -0.88 -4.38 120.64 116.29 3h0r n GLU 243 Ca 0.01 -0.76 -0.02 0.00 -0.42 0.00 0.00 57.16 55.97 3h0r n GLU 243 Cb 0.09 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 3h0r n GLU 243 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h0r n GLU 244 N -0.22 1.86 0.02 3.49 4.07 -0.42 -4.58 120.64 124.85 3h0r n GLU 244 Ca 0.14 -0.03 0.02 0.00 -0.06 0.00 0.00 57.16 57.24 3h0r n GLU 244 Cb 0.37 -1.26 0.37 0.00 -0.06 0.00 0.00 31.44 30.87 3h0r n GLU 244 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3h0r h VAL 245 N 0.00 1.15 0.00 6.31 -1.51 -1.42 -2.76 116.25 118.01 3h0r h VAL 245 Ca -0.21 -0.48 -0.07 0.00 -1.23 0.00 0.00 66.70 64.71 3h0r h VAL 245 Cb 1.35 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3h0r h VAL 245 CO 0.01 0.18 -0.32 0.11 -1.23 0.00 0.00 177.57 176.32 3h0r h LYS 246 N 0.49 0.00 -7.29 5.19 1.57 -1.83 -3.40 116.57 111.30 3h0r h LYS 246 Ca 0.12 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.38 3h0r h LYS 246 Cb 0.14 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.61 3h0r h LYS 246 CO -0.01 0.32 0.26 0.15 -0.57 0.00 0.00 179.45 179.60 3h0r s LYS 247 N -3.34 1.56 -0.09 3.15 1.02 -1.04 -5.06 119.74 115.93 3h0r s LYS 247 Ca 0.02 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.38 3h0r s LYS 247 Cb 0.09 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3h0r s LYS 247 CO 0.68 -2.19 -0.08 -2.00 -0.92 0.00 0.00 175.35 170.84 3h0r s GLU 248 N -4.77 1.49 -0.20 1.68 2.12 -1.26 -4.93 118.70 112.82 3h0r s GLU 248 Ca 0.64 -0.27 -0.07 0.00 0.36 0.00 0.00 54.97 55.63 3h0r s GLU 248 Cb -0.20 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.69 3h0r s GLU 248 CO 0.57 -0.18 0.05 0.08 -0.54 0.00 0.00 175.26 175.24 3h0r s VAL 249 N 1.38 4.44 0.35 3.70 1.01 -1.26 -5.09 120.40 124.93 3h0r s VAL 249 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 3h0r s VAL 249 Cb -0.14 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 3h0r s VAL 249 CO -0.04 0.42 1.02 -0.54 0.00 0.00 0.00 175.10 175.95 3h0r s LYS 250 N 0.83 4.42 -1.02 2.72 1.02 -1.26 -4.23 119.74 122.22 3h0r s LYS 250 Ca 0.03 1.50 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 3h0r s LYS 250 Cb -0.14 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 3h0r s LYS 250 CO 0.02 0.09 0.24 0.41 -0.92 0.00 0.00 175.35 175.20 3h0r n GLY 251 N 0.61 -0.10 3.77 -3.33 0.00 -1.26 -5.01 105.19 99.86 3h0r n GLY 251 Ca 0.03 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3h0r n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 252 N -4.11 3.39 -0.02 0.99 1.43 -1.26 -4.88 118.68 114.23 3h0r s LEU 252 Ca 0.12 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 3h0r s LEU 252 Cb -0.05 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 3h0r s LEU 252 CO 0.15 -1.68 -0.17 -0.54 0.23 0.00 0.00 176.35 174.34 3h0r s LYS 253 N -4.05 1.43 -0.13 1.70 1.02 -1.26 -2.21 119.74 116.23 3h0r s LYS 253 Ca 0.68 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.08 3h0r s LYS 253 Cb -0.21 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 3h0r s LYS 253 CO 0.41 0.35 -0.20 0.42 -0.92 0.00 0.00 175.35 175.41 3h0r s ILE 254 N -0.35 2.25 -0.09 2.17 1.01 0.32 -1.24 121.20 125.26 3h0r s ILE 254 Ca 0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 3h0r s ILE 254 Cb -0.07 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 3h0r s ILE 254 CO -0.00 0.54 0.33 -0.83 0.00 0.00 0.00 174.94 174.98 3h0r s GLY 255 N 0.68 2.32 -0.31 6.18 0.00 -0.37 -0.60 107.32 115.22 3h0r s GLY 255 Ca -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 3h0r s GLY 255 CO 0.02 0.26 0.02 1.08 0.00 0.00 0.00 173.10 174.48 3h0r s LEU 256 N -0.27 4.05 0.02 0.66 1.43 0.34 -1.58 118.68 123.33 3h0r s LEU 256 Ca 0.20 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 51.67 3h0r s LEU 256 Cb -0.14 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 3h0r s LEU 256 CO 0.08 -0.29 1.82 -2.84 0.23 0.00 0.00 176.35 175.35 3h0r s PRO 257 N 1.25 4.16 0.43 1.29 0.02 -1.26 -1.35 135.00 139.54 3h0r s PRO 257 Ca -0.04 2.45 0.16 0.00 0.02 0.00 0.00 61.00 63.59 3h0r s PRO 257 Cb -0.20 -3.98 1.05 0.00 0.02 0.00 0.00 34.50 31.39 3h0r s PRO 257 CO -0.01 -0.88 1.92 0.87 -0.33 0.00 0.00 177.00 178.56 3h0r h LYS 258 N 9.79 0.41 0.00 5.54 1.57 -0.84 -1.16 116.57 131.87 3h0r h LYS 258 Ca -0.45 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3h0r h LYS 258 Cb 1.21 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3h0r h LYS 258 CO 0.94 0.27 -0.16 0.93 -0.57 0.00 0.00 179.45 180.86 3h0r h GLU 259 N 0.42 0.00 0.00 3.15 3.07 -1.89 -2.47 114.58 116.87 3h0r h GLU 259 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3h0r h GLU 259 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3h0r h GLU 259 CO -0.12 0.16 0.00 0.74 -1.40 0.00 0.00 179.01 178.39 3h0r h PHE 260 N 0.00 0.00 0.00 4.33 0.04 -1.59 -3.03 116.94 116.69 3h0r h PHE 260 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 3h0r h PHE 260 Cb 0.74 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 3h0r h PHE 260 CO 0.00 0.00 -0.26 0.74 -0.60 0.00 0.00 178.31 178.19 3h0r h PHE 261 N 0.00 0.00 -0.00 -0.55 0.04 -1.52 -2.25 116.94 112.66 3h0r h PHE 261 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h0r h PHE 261 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 3h0r h PHE 261 CO 0.00 0.26 -0.02 0.39 -0.60 0.00 0.00 178.31 178.33 3h0r n GLU 262 N -4.10 0.64 -2.82 1.51 -0.58 -1.14 -4.82 120.64 109.33 3h0r n GLU 262 Ca -0.02 -0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.24 3h0r n GLU 262 Cb 0.32 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.65 3h0r n GLU 262 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3h0r s TYR 263 N -2.41 3.61 -0.24 -0.32 1.51 -0.85 -4.99 117.35 113.67 3h0r s TYR 263 Ca 0.33 1.53 -0.29 0.00 -1.01 0.00 0.00 57.07 57.64 3h0r s TYR 263 Cb 0.21 -3.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 3h0r s TYR 263 CO 0.44 -0.01 1.90 -1.21 -1.11 0.00 0.00 175.55 175.56 3h0r s GLU 264 N 1.07 3.44 0.06 -0.62 2.02 -1.26 -5.00 118.70 118.42 3h0r s GLU 264 Ca 0.47 1.76 0.05 0.00 0.02 0.00 0.00 54.97 57.26 3h0r s GLU 264 Cb -0.20 -4.21 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 3h0r s GLU 264 CO 0.24 -1.73 -0.03 -0.51 0.02 0.00 0.00 175.26 173.24 3h0r s LEU 265 N 6.74 3.33 0.27 1.80 1.43 -1.26 -4.84 118.68 126.14 3h0r s LEU 265 Ca 0.85 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 3h0r s LEU 265 Cb -0.28 -2.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 3h0r s LEU 265 CO 0.34 0.21 1.38 -1.10 0.23 0.00 0.00 176.35 177.41 3h0r s GLN 266 N -2.01 4.31 0.28 1.70 -0.21 0.11 -4.89 119.66 118.95 3h0r s GLN 266 Ca 0.22 2.24 0.02 0.00 0.02 0.00 0.00 55.36 57.87 3h0r s GLN 266 Cb -0.11 -3.11 0.64 0.00 1.00 0.00 0.00 33.01 31.43 3h0r s GLN 266 CO 0.14 -0.32 1.76 -1.35 -2.12 0.00 0.00 175.29 173.40 3h0r h PRO 267 N 4.51 0.65 -0.72 2.91 0.11 -1.99 -0.47 132.00 137.00 3h0r h PRO 267 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3h0r h PRO 267 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3h0r h PRO 267 CO 0.73 0.43 0.47 1.96 -0.21 0.00 0.00 178.00 181.38 3h0r h GLN 268 N 0.67 0.92 -0.08 1.05 7.50 -1.97 -0.06 115.11 123.13 3h0r h GLN 268 Ca 0.52 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.61 3h0r h GLN 268 Cb 0.80 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 3h0r h GLN 268 CO -0.39 0.61 0.02 0.28 -1.50 0.00 0.00 178.83 177.85 3h0r h VAL 269 N 0.94 1.19 -0.09 -0.54 2.07 -1.53 -0.53 116.25 117.76 3h0r h VAL 269 Ca 0.27 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3h0r h VAL 269 Cb -0.06 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3h0r h VAL 269 CO -0.08 0.16 -0.34 0.50 0.02 0.00 0.00 177.57 177.83 3h0r h LYS 270 N -0.08 -0.42 -0.30 1.57 3.64 -0.88 0.58 116.57 120.68 3h0r h LYS 270 Ca 0.03 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3h0r h LYS 270 Cb 0.24 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3h0r h LYS 270 CO 0.00 -0.28 -0.01 0.93 -2.27 0.00 0.00 179.45 177.82 3h0r h GLU 271 N -0.44 0.07 -0.72 1.90 5.08 -0.96 -0.20 114.58 119.32 3h0r h GLU 271 Ca 0.08 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3h0r h GLU 271 Cb 0.57 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3h0r h GLU 271 CO -0.34 0.05 0.40 0.00 -1.00 0.00 0.00 179.01 178.11 3h0r h ALA 272 N 1.26 0.98 -0.12 3.43 0.00 -0.64 -2.29 119.26 121.89 3h0r h ALA 272 Ca 0.14 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3h0r h ALA 272 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h0r h ALA 272 CO -0.25 0.05 -0.38 0.35 0.00 0.00 0.00 179.25 179.02 3h0r h PHE 273 N 0.71 0.61 -0.68 0.00 3.57 -0.28 -1.79 116.94 119.07 3h0r h PHE 273 Ca 0.33 -0.25 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3h0r h PHE 273 Cb 0.26 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3h0r h PHE 273 CO -0.08 0.99 0.33 0.93 -2.23 0.00 0.00 178.31 178.25 3h0r h GLU 274 N 0.05 0.55 -0.54 1.11 5.08 -0.97 -1.40 114.58 118.46 3h0r h GLU 274 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3h0r h GLU 274 Cb 1.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3h0r h GLU 274 CO 0.08 0.36 0.11 -0.97 -1.00 0.00 0.00 179.01 177.60 3h0r h ASN 275 N 0.56 0.84 -0.66 1.42 -0.73 -1.36 -0.52 115.58 115.14 3h0r h ASN 275 Ca 0.33 -0.25 0.10 0.00 1.87 0.00 0.00 56.30 58.36 3h0r h ASN 275 Cb 0.35 -0.22 -0.07 0.00 0.27 0.00 0.00 38.32 38.65 3h0r h ASN 275 CO -0.27 0.87 0.28 0.15 -0.37 0.00 0.00 177.43 178.09 3h0r h PHE 276 N 0.78 0.49 -0.05 0.67 3.57 -0.61 -0.56 116.94 121.23 3h0r h PHE 276 Ca 0.17 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.48 3h0r h PHE 276 Cb 0.37 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.01 3h0r h PHE 276 CO 0.03 0.14 -0.84 0.82 -2.23 0.00 0.00 178.31 176.23 3h0r h ILE 277 N 0.48 1.31 -0.55 1.41 1.08 -1.03 -2.09 117.51 118.12 3h0r h ILE 277 Ca 0.34 -2.10 0.02 0.00 -0.39 0.00 0.00 64.86 62.73 3h0r h ILE 277 Cb 0.41 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 36.42 3h0r h ILE 277 CO -0.31 0.64 0.34 0.11 -0.69 0.00 0.00 178.15 178.25 3h0r h LYS 278 N 0.31 0.65 -0.26 2.37 1.57 -0.86 0.24 116.57 120.59 3h0r h LYS 278 Ca -0.09 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3h0r h LYS 278 Cb 1.49 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 3h0r h LYS 278 CO 0.17 0.43 -0.25 1.49 -0.57 0.00 0.00 179.45 180.72 3h0r h GLU 279 N 0.67 0.50 -0.20 3.15 4.57 -1.09 -0.97 114.58 121.21 3h0r h GLU 279 Ca 0.22 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 3h0r h GLU 279 Cb 0.02 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3h0r h GLU 279 CO -0.09 0.71 -0.61 -0.07 -1.18 0.00 0.00 179.01 177.76 3h0r h LEU 280 N 0.44 0.78 -0.41 1.64 3.38 -0.99 -2.95 115.31 117.20 3h0r h LEU 280 Ca 0.07 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3h0r h LEU 280 Cb 0.67 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3h0r h LEU 280 CO 0.05 1.20 0.05 -0.08 0.09 0.00 0.00 178.44 179.76 3h0r h GLU 281 N 0.51 0.17 -0.45 1.13 4.81 0.02 -2.02 114.58 118.75 3h0r h GLU 281 Ca -0.01 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3h0r h GLU 281 Cb 1.20 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3h0r h GLU 281 CO 0.12 0.11 0.32 0.87 -0.73 0.00 0.00 179.01 179.70 3h0r h LYS 282 N 0.17 0.10 -0.01 1.92 1.57 -1.09 -0.65 116.57 118.59 3h0r h LYS 282 Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3h0r h LYS 282 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3h0r h LYS 282 CO -0.29 0.07 -0.08 0.39 -0.57 0.00 0.00 179.45 178.97 3h0r n GLU 283 N -4.43 0.91 0.00 3.15 -0.58 -0.79 -4.91 120.64 113.99 3h0r n GLU 283 Ca 0.07 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 3h0r n GLU 283 Cb 0.45 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3h0r n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h0r n GLY 284 N 1.22 1.11 3.73 0.62 0.00 -0.25 -5.09 105.19 106.53 3h0r n GLY 284 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3h0r n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0r s PHE 285 N -2.00 3.61 0.02 1.61 0.40 -1.05 -4.64 117.98 115.93 3h0r s PHE 285 Ca 0.00 1.58 -0.28 0.00 -0.60 0.00 0.00 56.93 57.63 3h0r s PHE 285 Cb 0.00 -3.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 3h0r s PHE 285 CO 0.00 -0.53 0.88 -2.00 0.70 0.00 0.00 175.22 174.27 3h0r s GLU 286 N 0.21 4.55 -0.23 0.44 2.12 -0.94 -4.35 118.70 120.50 3h0r s GLU 286 Ca 0.51 1.25 -0.05 0.00 0.36 0.00 0.00 54.97 57.04 3h0r s GLU 286 Cb -0.27 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 3h0r s GLU 286 CO 0.32 0.08 0.01 0.42 -0.54 0.00 0.00 175.26 175.55 3h0r s ILE 287 N 0.58 3.82 0.01 -3.70 -1.09 -1.26 -0.52 121.20 119.04 3h0r s ILE 287 Ca 0.46 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.59 3h0r s ILE 287 Cb -0.21 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 3h0r s ILE 287 CO 0.25 0.39 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.64 3h0r s LYS 288 N 1.48 1.26 -0.02 2.79 1.02 0.23 -4.97 119.74 121.54 3h0r s LYS 288 Ca 0.06 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 3h0r s LYS 288 Cb -0.15 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.86 3h0r s LYS 288 CO 0.00 0.34 0.99 -1.21 -0.92 0.00 0.00 175.35 174.54 3h0r s GLU 289 N -0.77 4.54 0.38 1.68 2.02 -1.26 -0.51 118.70 124.78 3h0r s GLU 289 Ca 0.06 1.42 0.08 0.00 0.02 0.00 0.00 54.97 56.54 3h0r s GLU 289 Cb -0.07 -3.47 -0.07 0.00 0.10 0.00 0.00 34.13 30.61 3h0r s GLU 289 CO 0.00 -0.10 0.00 0.14 0.02 0.00 0.00 175.26 175.33 3h0r s VAL 290 N 1.18 2.21 -0.08 2.63 -7.23 -0.46 -4.81 120.40 113.84 3h0r s VAL 290 Ca 0.51 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 3h0r s VAL 290 Cb -0.21 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 3h0r s VAL 290 CO 0.26 -0.09 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.39 3h0r s SER 291 N -3.71 4.06 -0.48 4.85 0.01 -1.26 -0.06 113.70 117.11 3h0r s SER 291 Ca 0.35 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.42 3h0r s SER 291 Cb 0.05 -1.17 0.19 0.00 0.21 0.00 0.00 66.02 65.30 3h0r s SER 291 CO 0.18 0.27 0.42 0.18 0.41 0.00 0.00 173.24 174.71 3h0r n LEU 292 N 2.79 0.58 0.30 2.44 4.77 -1.26 -4.71 117.00 121.91 3h0r n LEU 292 Ca -0.18 -4.65 0.17 0.00 -0.03 0.00 0.00 56.01 51.32 3h0r n LEU 292 Cb 0.52 0.22 0.85 0.00 -2.33 0.00 0.00 43.42 42.68 3h0r n LEU 292 CO 0.28 1.88 1.14 1.55 -1.33 0.00 0.00 177.39 180.90 3h0r h PRO 293 N 5.26 0.00 0.00 3.23 0.13 -1.96 -2.30 132.00 136.36 3h0r h PRO 293 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3h0r h PRO 293 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3h0r h PRO 293 CO 0.48 0.00 -0.85 0.72 -0.23 0.00 0.00 178.00 178.12 3h0r n HIS 294 N -3.04 0.00 -0.28 1.56 8.25 -1.26 -4.68 115.22 115.77 3h0r n HIS 294 Ca -0.01 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.65 3h0r n HIS 294 Cb 0.38 -0.03 0.49 0.00 1.12 0.00 0.00 29.99 31.95 3h0r n HIS 294 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3h0r h VAL 295 N 0.00 0.63 -0.05 1.59 -1.51 -1.78 0.61 116.25 115.74 3h0r h VAL 295 Ca 0.00 -0.15 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 3h0r h VAL 295 Cb 0.42 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3h0r h VAL 295 CO 0.00 0.08 0.10 0.07 -1.23 0.00 0.00 177.57 176.59 3h0r h LYS 296 N 0.44 0.00 -0.00 5.19 2.10 -1.83 0.36 116.57 122.82 3h0r h LYS 296 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3h0r h LYS 296 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3h0r h LYS 296 CO -0.23 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 177.86 3h0r n TYR 297 N -3.40 0.00 -0.30 0.07 4.01 0.21 -4.20 117.16 113.54 3h0r n TYR 297 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.77 3h0r n TYR 297 Cb 0.19 -0.06 0.20 0.00 -0.31 0.00 0.00 39.34 39.35 3h0r n TYR 297 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h0r h SER 298 N 0.44 0.67 0.04 7.72 0.02 -0.40 -2.09 113.55 119.94 3h0r h SER 298 Ca 0.00 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 3h0r h SER 298 Cb 0.16 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.65 3h0r h SER 298 CO 0.00 0.35 -0.38 0.40 -1.14 0.00 0.00 176.83 176.06 3h0r h ILE 299 N 0.77 1.59 -0.72 3.27 1.08 -1.80 0.73 117.51 122.43 3h0r h ILE 299 Ca 0.44 -2.24 0.06 0.00 -0.39 0.00 0.00 64.86 62.73 3h0r h ILE 299 Cb 0.49 3.05 -0.06 0.00 -3.07 0.00 0.00 36.82 37.23 3h0r h ILE 299 CO -0.29 0.61 0.42 -0.65 -0.69 0.00 0.00 178.15 177.56 3h0r h PRO 300 N -0.56 0.76 -0.05 2.37 0.11 -1.84 0.01 132.00 132.79 3h0r h PRO 300 Ca -0.06 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3h0r h PRO 300 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3h0r h PRO 300 CO 0.07 0.50 -0.02 1.15 -0.21 0.00 0.00 178.00 179.49 3h0r h THR 301 N 0.78 0.93 -0.62 -1.15 2.02 -1.19 -2.64 112.91 111.04 3h0r h THR 301 Ca 0.32 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.45 3h0r h THR 301 Cb 0.17 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3h0r h THR 301 CO -0.17 0.00 0.18 0.22 0.37 0.00 0.00 175.52 176.12 3h0r h TYR 302 N -0.01 0.97 -0.25 3.16 3.20 -0.61 -1.30 116.97 122.14 3h0r h TYR 302 Ca 0.03 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3h0r h TYR 302 Cb 0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3h0r h TYR 302 CO -0.12 0.79 0.00 0.66 -1.64 0.00 0.00 178.16 177.84 3h0r n TYR 303 N -4.27 0.65 -0.04 -3.82 4.01 -0.03 -0.79 117.16 112.85 3h0r n TYR 303 Ca 0.05 -0.25 -0.10 0.00 -0.16 0.00 0.00 57.90 57.44 3h0r n TYR 303 Cb 0.22 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3h0r n TYR 303 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3h0r n ILE 304 N 0.28 0.91 0.23 -0.72 5.41 -0.93 -4.66 119.36 119.87 3h0r n ILE 304 Ca 0.10 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.69 3h0r n ILE 304 Cb 0.47 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.57 3h0r n ILE 304 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h0r h ILE 305 N -0.44 0.52 0.27 1.39 2.04 -1.11 -2.37 117.51 117.81 3h0r h ILE 305 Ca -0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3h0r h ILE 305 Cb 0.97 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3h0r h ILE 305 CO -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.65 3h0r h ALA 306 N 0.02 -0.76 -0.17 1.87 0.00 -1.22 -1.33 119.26 117.67 3h0r h ALA 306 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h0r h ALA 306 Cb 0.48 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3h0r h ALA 306 CO 0.04 -0.98 0.04 -1.35 0.00 0.00 0.00 179.25 177.01 3h0r h PRO 307 N -0.71 0.24 0.59 0.00 0.11 -1.75 0.16 132.00 130.63 3h0r h PRO 307 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3h0r h PRO 307 Cb 0.68 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3h0r h PRO 307 CO -0.13 0.22 -0.29 0.77 -0.21 0.00 0.00 178.00 178.37 3h0r h SER 308 N 0.24 -0.67 -0.38 -2.05 0.02 -0.91 -0.36 113.55 109.42 3h0r h SER 308 Ca 0.06 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3h0r h SER 308 Cb 0.09 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3h0r h SER 308 CO -0.00 -0.35 0.21 -0.33 -1.14 0.00 0.00 176.83 175.22 3h0r h GLU 309 N -1.01 0.57 -0.59 3.45 5.08 -1.04 -1.83 114.58 119.21 3h0r h GLU 309 Ca -0.08 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3h0r h GLU 309 Cb 0.67 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3h0r h GLU 309 CO 0.13 0.44 0.18 0.00 -1.00 0.00 0.00 179.01 178.76 3h0r h ALA 310 N 1.65 0.77 -0.44 3.43 0.00 -0.50 0.97 119.26 125.14 3h0r h ALA 310 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h0r h ALA 310 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h0r h ALA 310 CO -0.02 0.44 0.17 0.66 0.00 0.00 0.00 179.25 180.50 3h0r h SER 311 N 0.83 0.56 -0.05 0.00 4.64 -0.20 -1.25 113.55 118.09 3h0r h SER 311 Ca 0.19 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3h0r h SER 311 Cb 0.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3h0r h SER 311 CO -0.00 0.52 -0.17 -1.28 -0.87 0.00 0.00 176.83 175.02 3h0r h SER 312 N 0.62 0.23 0.51 4.97 0.87 -1.21 -2.95 113.55 116.59 3h0r h SER 312 Ca 0.15 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3h0r h SER 312 Cb 0.13 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3h0r h SER 312 CO -0.02 0.82 0.00 0.59 -0.53 0.00 0.00 176.83 177.69 3h0r n ASN 313 N -4.59 0.63 -0.68 6.23 3.02 0.31 -2.42 115.26 117.76 3h0r n ASN 313 Ca -0.08 0.69 0.09 0.00 -0.03 0.00 0.00 54.58 55.25 3h0r n ASN 313 Cb 0.41 -0.81 0.07 0.00 -0.61 0.00 0.00 39.78 38.83 3h0r n ASN 313 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h0r n LEU 314 N -2.24 2.41 0.32 3.41 4.32 -0.50 -4.39 117.00 120.33 3h0r n LEU 314 Ca 0.01 -0.98 0.20 0.00 -0.02 0.00 0.00 56.01 55.22 3h0r n LEU 314 Cb 0.17 0.00 1.08 0.00 -1.62 0.00 0.00 43.42 43.05 3h0r n LEU 314 CO 0.17 0.43 1.14 0.00 -1.22 0.00 0.00 177.39 177.90 3h0r h ALA 315 N 3.41 1.13 0.00 -1.18 0.00 -1.30 -2.90 119.26 118.42 3h0r h ALA 315 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0r h ALA 315 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h0r h ALA 315 CO 0.00 0.01 0.00 2.89 0.00 0.00 0.00 179.25 182.15 3h0r n ARG 316 N -3.28 0.20 -2.87 0.00 1.85 -1.26 -4.58 116.66 106.72 3h0r n ARG 316 Ca -0.03 0.19 -0.43 0.00 -1.00 0.00 0.00 57.85 56.58 3h0r n ARG 316 Cb 0.10 -1.75 -0.04 0.00 -1.05 0.00 0.00 32.46 29.73 3h0r n ARG 316 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3h0r s TYR 317 N -3.10 2.73 0.00 2.89 2.02 -1.10 -4.73 117.35 116.06 3h0r s TYR 317 Ca 0.11 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3h0r s TYR 317 Cb 0.13 -4.19 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 3h0r s TYR 317 CO 0.56 -1.54 0.00 -0.40 -1.57 0.00 0.00 175.55 172.61 3h0r n ASP 318 N 7.54 0.00 0.00 2.29 5.68 -1.26 -4.81 116.55 125.99 3h0r n ASP 318 Ca -0.03 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3h0r n ASP 318 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3h0r n ASP 318 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0r n GLY 319 N 0.00 0.48 0.09 6.12 0.00 -1.25 -4.57 105.19 106.05 3h0r n GLY 319 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3h0r n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h0r n VAL 320 N -2.75 1.48 0.04 1.61 0.31 -1.26 -4.75 118.33 113.01 3h0r n VAL 320 Ca 0.00 0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.50 3h0r n VAL 320 Cb 0.06 -2.22 -0.17 0.00 -0.91 0.00 0.00 33.84 30.61 3h0r n VAL 320 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h0r n ARG 321 N -4.49 0.62 -3.71 5.55 1.74 -1.26 -5.05 116.66 110.05 3h0r n ARG 321 Ca -0.21 -0.19 -0.02 0.00 -0.77 0.00 0.00 57.85 56.66 3h0r n ARG 321 Cb 0.50 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3h0r n ARG 321 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3h0r s TYR 322 N -3.47 -0.10 0.00 -1.55 1.13 -1.26 -5.17 117.35 106.93 3h0r s TYR 322 Ca -0.07 -0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 3h0r s TYR 322 Cb 0.14 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.61 3h0r s TYR 322 CO 0.90 -0.65 0.00 0.41 -2.51 0.00 0.00 175.55 173.70 3h0r n GLY 323 N -0.48 -0.84 3.76 5.49 0.00 -1.26 -4.29 105.19 107.58 3h0r n GLY 323 Ca -0.07 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3h0r n GLY 323 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h0r s TYR 324 N 0.00 2.61 -0.02 1.61 5.04 -0.40 -4.89 117.35 121.29 3h0r s TYR 324 Ca 0.00 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3h0r s TYR 324 Cb 0.00 -3.73 0.02 0.00 0.35 0.00 0.00 41.96 38.61 3h0r s TYR 324 CO 0.00 -2.41 0.00 0.50 -1.34 0.00 0.00 175.55 172.30 3h0r s ARG 325 N -2.50 0.22 0.69 4.97 3.52 -1.26 -3.85 118.95 120.74 3h0r s ARG 325 Ca 0.62 0.07 -0.17 0.00 -0.13 0.00 0.00 55.73 56.12 3h0r s ARG 325 Cb -0.39 -0.39 0.01 0.00 -1.56 0.00 0.00 34.95 32.62 3h0r s ARG 325 CO 0.49 -0.11 1.18 0.00 -0.81 0.00 0.00 175.30 176.05 3h0r n ALA 326 N 3.96 0.56 0.08 6.12 0.00 -1.26 -4.95 120.51 125.01 3h0r n ALA 326 Ca -0.25 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 3h0r n ALA 326 Cb 0.52 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.57 3h0r n ALA 326 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h0r h LYS 327 N 0.08 0.30 -5.12 0.00 1.57 -1.98 -3.45 116.57 107.98 3h0r h LYS 327 Ca -0.49 -0.52 -0.64 0.00 -1.87 0.00 0.00 60.65 57.13 3h0r h LYS 327 Cb 1.33 0.19 -0.22 0.00 0.08 0.00 0.00 32.23 33.62 3h0r h LYS 327 CO 0.50 1.20 -0.64 -1.21 -0.57 0.00 0.00 179.45 178.73 3h0r s GLU 328 N -2.62 3.67 -0.25 3.15 2.02 -1.26 -5.09 118.70 118.32 3h0r s GLU 328 Ca -0.08 -0.49 -0.26 0.00 0.02 0.00 0.00 54.97 54.15 3h0r s GLU 328 Cb 0.06 -3.13 0.09 0.00 0.10 0.00 0.00 34.13 31.26 3h0r s GLU 328 CO 0.87 0.02 0.83 1.52 0.02 0.00 0.00 175.26 178.53 3h0r s TYR 329 N 0.99 -0.65 -0.69 1.61 1.13 -1.26 -4.84 117.35 113.64 3h0r s TYR 329 Ca 0.02 1.54 0.20 0.00 -1.41 0.00 0.00 57.07 57.42 3h0r s TYR 329 Cb -0.14 0.32 -0.24 0.00 -1.10 0.00 0.00 41.96 40.80 3h0r s TYR 329 CO 0.02 -0.35 0.73 1.63 -2.51 0.00 0.00 175.55 175.08 3h0r n LYS 330 N 2.29 0.52 -3.57 -3.49 5.02 -1.26 -4.94 118.16 112.73 3h0r n LYS 330 Ca -0.14 -0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.03 3h0r n LYS 330 Cb 0.56 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3h0r n LYS 330 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3h0r s ASP 331 N -3.27 -0.27 0.56 4.39 3.84 -1.26 -5.03 116.67 115.64 3h0r s ASP 331 Ca 0.03 0.15 0.26 0.00 -0.00 0.00 0.00 52.55 53.00 3h0r s ASP 331 Cb 0.14 0.25 1.48 0.00 -1.38 0.00 0.00 42.92 43.41 3h0r s ASP 331 CO 0.82 -0.34 2.02 -0.29 -0.00 0.00 0.00 175.17 177.37 3h0r h ILE 332 N 2.21 0.61 -0.19 2.11 6.09 -1.99 1.21 117.51 127.56 3h0r h ILE 332 Ca -0.15 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3h0r h ILE 332 Cb 1.19 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 3h0r h ILE 332 CO 0.28 0.00 0.11 0.15 -3.07 0.00 0.00 178.15 175.61 3h0r h PHE 333 N 0.00 0.27 -0.45 2.19 3.57 -1.99 -1.01 116.94 119.52 3h0r h PHE 333 Ca 0.18 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3h0r h PHE 333 Cb 0.83 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3h0r h PHE 333 CO 0.00 0.25 -0.11 0.93 -2.23 0.00 0.00 178.31 177.15 3h0r h GLU 334 N 0.21 0.81 -0.02 1.11 5.08 0.10 0.01 114.58 121.89 3h0r h GLU 334 Ca 0.07 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3h0r h GLU 334 Cb 0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3h0r h GLU 334 CO -0.01 0.89 -0.19 1.98 -1.00 0.00 0.00 179.01 180.68 3h0r h MET 335 N 0.73 -0.29 0.46 2.33 4.05 -1.03 -0.06 114.93 121.12 3h0r h MET 335 Ca 0.12 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3h0r h MET 335 Cb 0.60 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3h0r h MET 335 CO 0.04 -0.19 -0.45 1.88 0.23 0.00 0.00 176.91 178.42 3h0r h TYR 336 N -0.30 -1.25 0.00 1.39 0.05 -0.90 -1.42 116.97 114.54 3h0r h TYR 336 Ca 0.06 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 3h0r h TYR 336 Cb 0.38 0.48 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 3h0r h TYR 336 CO -0.25 -0.60 -0.35 0.00 -1.05 0.00 0.00 178.16 175.91 3h0r h ALA 337 N -1.01 1.24 0.17 3.88 0.00 -0.83 -2.03 119.26 120.66 3h0r h ALA 337 Ca -0.06 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 3h0r h ALA 337 Cb 0.78 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3h0r h ALA 337 CO -0.05 0.44 -1.24 0.00 0.00 0.00 0.00 179.25 178.40 3h0r h ARG 338 N 0.00 0.35 -0.92 0.00 3.08 -1.04 -2.15 114.38 113.70 3h0r h ARG 338 Ca -0.00 -0.60 0.13 0.00 0.07 0.00 0.00 59.98 59.58 3h0r h ARG 338 Cb 0.70 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.89 3h0r h ARG 338 CO 0.05 1.29 0.54 1.15 -1.07 0.00 0.00 179.97 181.92 3h0r h THR 339 N -0.18 0.84 0.04 2.04 2.02 -1.02 -0.86 112.91 115.78 3h0r h THR 339 Ca -0.24 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 3h0r h THR 339 Cb 1.85 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3h0r h THR 339 CO 0.16 0.15 -0.54 0.03 0.37 0.00 0.00 175.52 175.69 3h0r h ARG 340 N 0.81 0.30 -0.64 6.66 3.08 -1.44 0.01 114.38 123.16 3h0r h ARG 340 Ca 0.47 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3h0r h ARG 340 Cb 0.56 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3h0r h ARG 340 CO -0.30 1.09 0.25 0.22 -1.07 0.00 0.00 179.97 180.16 3h0r h ASP 341 N -0.32 0.86 0.96 7.04 3.58 -1.22 -0.67 116.42 126.64 3h0r h ASP 341 Ca -0.08 -0.12 -0.22 0.00 0.42 0.00 0.00 57.03 57.04 3h0r h ASP 341 Cb 1.31 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 3h0r h ASP 341 CO 0.10 0.78 -1.06 -0.33 -2.88 0.00 0.00 179.24 175.85 3h0r h GLU 342 N 0.92 0.00 0.00 0.28 5.08 -1.20 -3.35 114.58 116.31 3h0r h GLU 342 Ca 0.22 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 3h0r h GLU 342 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3h0r h GLU 342 CO -0.02 0.96 -1.32 0.78 -1.00 0.00 0.00 179.01 178.41 3h0r h GLY 343 N 3.03 0.00 -5.17 -3.84 0.00 -0.69 -3.46 103.07 92.93 3h0r h GLY 343 Ca -0.03 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.70 3h0r h GLY 343 CO 0.13 0.00 -0.17 -1.36 0.00 0.00 0.00 176.54 175.13 3h0r s PHE 344 N -2.97 3.66 1.08 5.60 0.08 -0.28 -2.00 117.98 123.15 3h0r s PHE 344 Ca -0.02 0.97 -0.18 0.00 0.12 0.00 0.00 56.93 57.82 3h0r s PHE 344 Cb 0.09 -2.39 0.25 0.00 -0.57 0.00 0.00 43.02 40.39 3h0r s PHE 344 CO 0.81 0.47 1.22 0.20 -0.10 0.00 0.00 175.22 177.82 3h0r s GLY 345 N -0.48 1.69 0.12 4.36 0.00 -1.26 -4.83 107.32 106.92 3h0r s GLY 345 Ca 0.24 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 3h0r s GLY 345 CO 0.12 -0.27 1.32 -2.55 0.00 0.00 0.00 173.10 171.73 3h0r h PRO 346 N -2.12 0.57 -0.34 2.90 0.11 -1.97 -1.42 132.00 129.72 3h0r h PRO 346 Ca -0.44 -0.53 -0.08 0.00 0.11 0.00 0.00 66.00 65.06 3h0r h PRO 346 Cb 1.26 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3h0r h PRO 346 CO 0.35 1.15 -0.10 1.49 -0.21 0.00 0.00 178.00 180.68 3h0r h GLU 347 N 0.36 0.68 -0.26 1.05 4.57 -1.94 -1.35 114.58 117.68 3h0r h GLU 347 Ca -0.07 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 3h0r h GLU 347 Cb 1.48 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.02 3h0r h GLU 347 CO 0.16 0.85 0.14 0.28 -1.18 0.00 0.00 179.01 179.26 3h0r h VAL 348 N 0.46 1.00 -0.88 0.32 2.07 -1.85 -2.12 116.25 115.26 3h0r h VAL 348 Ca 0.08 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3h0r h VAL 348 Cb 0.61 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3h0r h VAL 348 CO 0.04 0.05 0.54 0.11 0.02 0.00 0.00 177.57 178.33 3h0r h LYS 349 N 0.29 1.19 -0.62 1.57 1.57 -1.03 -0.57 116.57 118.96 3h0r h LYS 349 Ca 0.11 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3h0r h LYS 349 Cb 0.02 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.03 3h0r h LYS 349 CO -0.07 0.82 0.35 0.00 -0.57 0.00 0.00 179.45 179.99 3h0r h ARG 350 N 1.21 0.65 0.00 3.15 3.08 -0.96 -1.13 114.38 120.38 3h0r h ARG 350 Ca 0.32 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.15 3h0r h ARG 350 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3h0r h ARG 350 CO -0.06 0.43 -0.86 0.00 -1.07 0.00 0.00 179.97 178.41 3h0r h ARG 351 N 0.67 0.03 -0.30 0.04 3.08 -1.00 -1.76 114.38 115.14 3h0r h ARG 351 Ca 0.27 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3h0r h ARG 351 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3h0r h ARG 351 CO -0.15 0.87 0.08 0.82 -1.07 0.00 0.00 179.97 180.51 3h0r h ILE 352 N 0.01 1.21 0.11 2.04 2.04 -0.86 0.31 117.51 122.38 3h0r h ILE 352 Ca -0.02 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3h0r h ILE 352 Cb 1.51 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3h0r h ILE 352 CO 0.12 0.23 -0.05 0.24 0.00 0.00 0.00 178.15 178.69 3h0r h MET 353 N 0.32 -0.14 -0.66 2.37 2.86 -1.18 -1.85 114.93 116.65 3h0r h MET 353 Ca 0.09 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 3h0r h MET 353 Cb 0.28 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 3h0r h MET 353 CO 0.00 -0.07 0.34 1.25 1.06 0.00 0.00 176.91 179.49 3h0r h LEU 354 N -0.17 0.46 -0.22 1.22 5.85 -1.27 -2.52 115.31 118.66 3h0r h LEU 354 Ca -0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3h0r h LEU 354 Cb 0.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3h0r h LEU 354 CO 0.02 0.28 0.12 1.23 -0.34 0.00 0.00 178.44 179.76 3h0r h GLY 355 N 0.60 0.32 2.00 3.75 0.00 -0.10 -0.74 103.07 108.90 3h0r h GLY 355 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 3h0r h GLY 355 CO -0.23 0.13 -0.17 -0.91 0.00 0.00 0.00 176.54 175.37 3h0r h THR 356 N 0.25 0.44 0.02 4.70 1.35 -1.15 -1.84 112.91 116.69 3h0r h THR 356 Ca 0.08 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3h0r h THR 356 Cb 0.05 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3h0r h THR 356 CO -0.01 0.17 -0.01 0.15 -0.25 0.00 0.00 175.52 175.56 3h0r h PHE 357 N 0.00 -0.03 -0.17 4.73 3.04 -1.17 -2.77 116.94 120.57 3h0r h PHE 357 Ca -0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.00 3h0r h PHE 357 Cb 0.66 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 3h0r h PHE 357 CO 0.00 0.66 0.19 0.00 -2.02 0.00 0.00 178.31 177.14 3h0r h ALA 358 N 0.15 1.78 0.00 2.41 0.00 -0.75 -1.48 119.26 121.37 3h0r h ALA 358 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0r h ALA 358 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3h0r h ALA 358 CO 0.00 -0.28 -0.94 1.28 0.00 0.00 0.00 179.25 179.32 3h0r n LEU 359 N -3.79 0.86 -4.76 0.00 4.77 -0.72 -3.65 117.00 109.70 3h0r n LEU 359 Ca 0.01 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 3h0r n LEU 359 Cb 0.31 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3h0r n LEU 359 CO 0.27 0.21 1.07 -0.94 -1.33 0.00 0.00 177.39 176.67 3h0r s SER 360 N -3.09 6.63 0.33 -1.43 1.04 -0.56 -4.61 113.70 112.02 3h0r s SER 360 Ca 0.08 2.75 -0.29 0.00 0.48 0.00 0.00 55.95 58.97 3h0r s SER 360 Cb 0.16 -2.64 -0.12 0.00 0.10 0.00 0.00 66.02 63.52 3h0r s SER 360 CO 0.84 -0.68 1.50 0.00 0.98 0.00 0.00 173.24 175.88 3h0r n ALA 361 N 1.44 2.21 0.00 5.32 0.00 -1.26 -1.08 120.51 127.14 3h0r n ALA 361 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3h0r n ALA 361 Cb 0.41 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3h0r n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 362 N 1.30 3.17 0.00 0.00 0.00 -1.26 -4.74 105.19 103.66 3h0r n GLY 362 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h0r n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h0r n TYR 363 N -0.83 0.00 -0.12 1.61 4.01 -0.25 -4.81 117.16 116.77 3h0r n TYR 363 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3h0r n TYR 363 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3h0r n TYR 363 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3h0r h TYR 364 N 0.00 0.42 -0.71 -0.72 5.03 -1.17 -1.61 116.97 118.21 3h0r h TYR 364 Ca 0.00 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 3h0r h TYR 364 Cb 0.00 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 3h0r h TYR 364 CO 0.00 0.24 0.20 -0.44 -1.32 0.00 0.00 178.16 176.84 3h0r h ASP 365 N 0.45 1.04 1.93 -2.11 5.19 -1.87 -1.60 116.42 119.45 3h0r h ASP 365 Ca 0.16 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3h0r h ASP 365 Cb 0.02 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.26 3h0r h ASP 365 CO -0.08 0.98 -0.01 0.00 -3.12 0.00 0.00 179.24 177.01 3h0r h ALA 366 N 1.16 0.99 -3.00 3.45 0.00 -1.85 -2.33 119.26 117.68 3h0r h ALA 366 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3h0r h ALA 366 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3h0r h ALA 366 CO -0.00 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.92 3h0r n TYR 367 N -3.10 0.00 0.21 0.00 4.02 -0.62 -4.59 117.16 113.08 3h0r n TYR 367 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.78 3h0r n TYR 367 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 3h0r n TYR 367 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3h0r h TYR 368 N 0.00 -0.47 0.14 -0.72 3.20 -1.41 0.11 116.97 117.81 3h0r h TYR 368 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3h0r h TYR 368 Cb 0.00 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3h0r h TYR 368 CO 0.00 -0.29 -0.09 1.25 -1.64 0.00 0.00 178.16 177.39 3h0r h LEU 369 N -0.48 -0.22 -0.61 2.82 5.85 -1.52 -0.39 115.31 120.75 3h0r h LEU 369 Ca -0.04 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3h0r h LEU 369 Cb 0.38 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.36 3h0r h LEU 369 CO 0.06 -0.14 -0.30 0.50 -0.34 0.00 0.00 178.44 178.22 3h0r h LYS 370 N -0.22 -0.12 -0.94 1.25 1.63 -1.29 -1.50 116.57 115.38 3h0r h LYS 370 Ca -0.01 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3h0r h LYS 370 Cb 0.19 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 3h0r h LYS 370 CO 0.01 -0.08 0.61 0.00 -3.45 0.00 0.00 179.45 176.54 3h0r h ALA 371 N 1.17 1.26 0.00 5.00 0.00 -0.45 -0.36 119.26 125.87 3h0r h ALA 371 Ca 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3h0r h ALA 371 Cb 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h0r h ALA 371 CO -0.69 0.47 -0.29 1.96 0.00 0.00 0.00 179.25 180.71 3h0r h GLN 372 N 1.18 0.00 -0.02 0.00 1.08 -0.09 0.60 115.11 117.85 3h0r h GLN 372 Ca 0.38 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.50 3h0r h GLN 372 Cb 0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3h0r h GLN 372 CO -0.13 0.29 -0.32 0.87 -0.95 0.00 0.00 178.83 178.59 3h0r h LYS 373 N 0.00 0.25 -0.37 1.46 1.57 -0.48 -3.00 116.57 116.00 3h0r h LYS 373 Ca -0.00 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3h0r h LYS 373 Cb 0.59 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3h0r h LYS 373 CO 0.04 0.94 0.26 0.28 -0.57 0.00 0.00 179.45 180.39 3h0r h VAL 374 N -0.34 0.90 -0.86 0.50 2.07 -0.85 -1.13 116.25 116.54 3h0r h VAL 374 Ca -0.03 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3h0r h VAL 374 Cb 1.03 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3h0r h VAL 374 CO 0.06 0.03 0.44 -0.09 0.02 0.00 0.00 177.57 178.03 3h0r h ARG 375 N 0.18 1.23 -0.48 1.57 2.43 -0.87 -0.97 114.38 117.47 3h0r h ARG 375 Ca 0.17 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3h0r h ARG 375 Cb 0.45 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3h0r h ARG 375 CO -0.03 0.93 -0.21 -0.09 -1.51 0.00 0.00 179.97 179.06 3h0r h ARG 376 N 1.22 0.99 -0.34 0.20 2.43 -1.08 -0.68 114.38 117.12 3h0r h ARG 376 Ca 0.30 -0.42 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3h0r h ARG 376 Cb 0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3h0r h ARG 376 CO -0.04 1.09 0.16 -0.07 -1.51 0.00 0.00 179.97 179.60 3h0r h LEU 377 N 0.85 0.23 -0.49 3.80 3.38 -1.06 -0.49 115.31 121.54 3h0r h LEU 377 Ca 0.11 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3h0r h LEU 377 Cb 0.79 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3h0r h LEU 377 CO 0.07 0.17 0.25 0.40 0.09 0.00 0.00 178.44 179.42 3h0r h ILE 378 N 0.33 0.97 -0.62 1.22 2.04 -1.02 -1.01 117.51 119.42 3h0r h ILE 378 Ca 0.14 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3h0r h ILE 378 Cb 0.06 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3h0r h ILE 378 CO -0.11 0.09 0.36 0.74 0.00 0.00 0.00 178.15 179.24 3h0r h THR 379 N 0.50 1.19 -0.75 -0.27 2.02 -0.84 -2.79 112.91 111.97 3h0r h THR 379 Ca 0.21 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3h0r h THR 379 Cb 0.10 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3h0r h THR 379 CO -0.14 0.20 0.27 0.78 0.37 0.00 0.00 175.52 177.00 3h0r h ASN 380 N 0.84 1.05 -0.54 4.18 2.35 -0.48 -1.67 115.58 121.32 3h0r h ASN 380 Ca 0.22 -0.19 0.10 0.00 -0.55 0.00 0.00 56.30 55.89 3h0r h ASN 380 Cb 0.01 -0.27 -0.11 0.00 0.05 0.00 0.00 38.32 37.99 3h0r h ASN 380 CO -0.04 0.96 -0.25 0.44 -1.65 0.00 0.00 177.43 176.88 3h0r h ASP 381 N 1.09 -0.88 0.13 5.81 3.32 -0.94 -1.17 116.42 123.78 3h0r h ASP 381 Ca 0.25 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 3h0r h ASP 381 Cb 0.25 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3h0r h ASP 381 CO -0.02 -0.27 -0.09 -0.26 -1.72 0.00 0.00 179.24 176.89 3h0r h PHE 382 N -0.12 -0.22 -0.95 4.55 0.04 -1.20 -1.12 116.94 117.93 3h0r h PHE 382 Ca 0.24 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.15 3h0r h PHE 382 Cb 0.50 0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.65 3h0r h PHE 382 CO -0.55 -0.14 0.60 -0.07 -0.60 0.00 0.00 178.31 177.56 3h0r h LEU 383 N -0.21 0.76 -0.03 1.54 3.38 -0.98 0.13 115.31 119.88 3h0r h LEU 383 Ca -0.01 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3h0r h LEU 383 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3h0r h LEU 383 CO 0.01 0.37 -0.25 0.50 0.09 0.00 0.00 178.44 179.16 3h0r h LYS 384 N 0.79 0.23 -0.37 1.13 3.64 -0.87 -3.03 116.57 118.09 3h0r h LYS 384 Ca 0.48 -0.20 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 3h0r h LYS 384 Cb 0.68 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3h0r h LYS 384 CO -0.25 0.87 0.27 0.00 -2.27 0.00 0.00 179.45 178.07 3h0r h ALA 385 N 0.36 2.30 0.00 5.00 0.00 -0.63 -0.37 119.26 125.92 3h0r h ALA 385 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h0r h ALA 385 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h0r h ALA 385 CO 0.05 -0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.09 3h0r n PHE 386 N -4.44 0.00 0.10 0.00 3.72 0.39 -2.16 117.46 115.07 3h0r n PHE 386 Ca 0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 3h0r n PHE 386 Cb 0.42 -0.24 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 3h0r n PHE 386 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3h0r h GLU 387 N 0.00 0.10 0.00 -1.08 5.08 -1.02 -3.33 114.58 114.33 3h0r h GLU 387 Ca 0.00 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 3h0r h GLU 387 Cb 0.21 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3h0r h GLU 387 CO 0.00 0.80 -2.04 0.39 -1.00 0.00 0.00 179.01 177.17 3h0r n GLU 388 N -3.71 0.66 -4.20 2.33 1.02 -1.01 -5.03 120.64 110.71 3h0r n GLU 388 Ca -0.02 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 3h0r n GLU 388 Cb 0.72 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 3h0r n GLU 388 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h0r s VAL 389 N -2.94 0.88 -0.21 2.62 1.01 -0.92 -4.97 120.40 115.87 3h0r s VAL 389 Ca -0.08 -1.96 0.13 0.00 0.00 0.00 0.00 61.98 60.07 3h0r s VAL 389 Cb 0.09 -1.72 -0.22 0.00 0.00 0.00 0.00 36.38 34.53 3h0r s VAL 389 CO 0.85 -0.81 -0.02 0.47 0.00 0.00 0.00 175.10 175.59 3h0r n ASP 390 N -0.06 0.73 -4.09 3.32 8.00 -0.38 -4.42 116.55 119.65 3h0r n ASP 390 Ca -0.12 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.27 3h0r n ASP 390 Cb 0.61 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 3h0r n ASP 390 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3h0r s VAL 391 N -2.48 0.26 -0.10 2.53 -7.23 -0.92 -4.33 120.40 108.13 3h0r s VAL 391 Ca -0.17 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3h0r s VAL 391 Cb 0.07 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 3h0r s VAL 391 CO 0.74 -0.98 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.73 3h0r s ILE 392 N -3.87 2.60 0.13 -0.62 1.01 0.46 -1.23 121.20 119.69 3h0r s ILE 392 Ca 0.07 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.99 3h0r s ILE 392 Cb 0.08 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3h0r s ILE 392 CO -0.09 0.55 -0.24 0.00 0.00 0.00 0.00 174.94 175.16 3h0r s ALA 393 N 0.19 2.50 0.22 9.38 0.00 -0.61 0.08 121.76 133.52 3h0r s ALA 393 Ca -0.11 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 3h0r s ALA 393 Cb -0.16 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.54 3h0r s ALA 393 CO 0.06 0.54 0.79 -1.54 0.00 0.00 0.00 175.76 175.62 3h0r s SER 394 N -2.16 -0.26 0.71 0.00 1.04 -0.61 -4.55 113.70 107.88 3h0r s SER 394 Ca 0.16 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 3h0r s SER 394 Cb -0.10 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3h0r s SER 394 CO 0.08 -1.16 1.25 -2.84 0.98 0.00 0.00 173.24 171.54 3h0r s PRO 395 N -3.69 2.23 0.27 4.02 0.02 -1.26 0.04 135.00 136.64 3h0r s PRO 395 Ca 0.11 1.91 0.10 0.00 0.02 0.00 0.00 61.00 63.14 3h0r s PRO 395 Cb -0.04 -1.83 0.34 0.00 0.02 0.00 0.00 34.50 33.00 3h0r s PRO 395 CO 0.04 -1.80 1.61 1.15 -0.33 0.00 0.00 177.00 177.66 3h0r h THR 396 N -0.00 1.45 -3.63 0.99 2.02 -1.47 -3.41 112.91 108.86 3h0r h THR 396 Ca -0.49 -2.15 -0.16 0.00 0.77 0.00 0.00 66.41 64.39 3h0r h THR 396 Cb 1.32 2.16 -0.22 0.00 -1.74 0.00 0.00 68.15 69.67 3h0r h THR 396 CO 0.51 0.61 -0.56 -0.89 0.37 0.00 0.00 175.52 175.56 3h0r s THR 397 N -3.59 0.08 -0.84 3.16 2.01 -1.26 -4.45 115.64 110.74 3h0r s THR 397 Ca -0.01 -0.66 0.27 0.00 0.31 0.00 0.00 61.69 61.60 3h0r s THR 397 Cb 0.13 -0.35 0.26 0.00 0.01 0.00 0.00 72.50 72.55 3h0r s THR 397 CO 0.76 -0.36 1.83 -0.81 -0.69 0.00 0.00 174.62 175.35 3h0r n PRO 398 N 1.70 0.14 -4.16 4.92 -0.04 -1.26 -4.87 135.00 131.43 3h0r n PRO 398 Ca -0.22 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 3h0r n PRO 398 Cb 0.56 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 3h0r n PRO 398 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3h0r s THR 399 N -3.06 0.30 0.69 0.52 -4.23 -1.26 -0.72 115.64 107.88 3h0r s THR 399 Ca 0.12 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 3h0r s THR 399 Cb 0.15 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 72.08 3h0r s THR 399 CO 0.55 -0.61 1.10 -0.76 -0.54 0.00 0.00 174.62 174.36 3h0r s LEU 400 N -3.05 3.29 -0.20 4.79 1.43 -1.26 -4.94 118.68 118.75 3h0r s LEU 400 Ca 0.20 1.93 -0.42 0.00 -1.03 0.00 0.00 54.13 54.80 3h0r s LEU 400 Cb 0.07 -4.54 -0.19 0.00 0.03 0.00 0.00 46.19 41.56 3h0r s LEU 400 CO -0.01 -1.71 1.34 -2.65 0.23 0.00 0.00 176.35 173.55 3h0r n PRO 401 N -2.72 0.20 -2.71 1.29 -0.02 -1.26 -4.94 135.00 124.83 3h0r n PRO 401 Ca 0.10 0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.43 3h0r n PRO 401 Cb 0.52 -1.60 0.08 0.00 -0.02 0.00 0.00 33.50 32.48 3h0r n PRO 401 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3h0r s PHE 402 N 1.41 1.87 0.32 6.00 -0.12 -1.26 -4.83 117.98 121.37 3h0r s PHE 402 Ca 0.96 -0.32 -0.07 0.00 -0.05 0.00 0.00 56.93 57.45 3h0r s PHE 402 Cb -1.31 -2.75 -0.06 0.00 -0.63 0.00 0.00 43.02 38.28 3h0r s PHE 402 CO 0.66 -1.36 0.61 0.15 -0.05 0.00 0.00 175.22 175.23 3h0r s LYS 403 N -4.92 3.68 0.46 1.99 1.02 -1.26 -1.25 119.74 119.45 3h0r s LYS 403 Ca 0.63 0.14 -0.24 0.00 0.02 0.00 0.00 55.97 56.52 3h0r s LYS 403 Cb -0.07 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3h0r s LYS 403 CO 0.41 0.15 1.21 1.19 -0.92 0.00 0.00 175.35 177.40 3h0r n PHE 404 N -1.00 1.89 -0.15 3.18 3.72 -1.22 -1.94 117.46 121.95 3h0r n PHE 404 Ca -0.01 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 3h0r n PHE 404 Cb 0.54 -2.33 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 3h0r n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h0r n GLY 405 N 0.90 2.17 0.17 1.37 0.00 -1.26 -4.85 105.19 103.69 3h0r n GLY 405 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3h0r n GLY 405 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h0r h GLU 406 N 1.75 0.00 -0.19 1.61 4.81 -1.79 -3.25 114.58 117.52 3h0r h GLU 406 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3h0r h GLU 406 Cb 0.00 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.13 3h0r h GLU 406 CO 0.00 0.46 -0.80 0.54 -0.73 0.00 0.00 179.01 178.47 3h0r n ARG 407 N -3.65 1.49 -0.00 1.92 1.74 -1.26 -4.66 116.66 112.23 3h0r n ARG 407 Ca -0.01 -3.09 0.06 0.00 -0.77 0.00 0.00 57.85 54.04 3h0r n ARG 407 Cb 0.54 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.64 3h0r n ARG 407 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h0r n LEU 408 N -0.49 0.13 0.09 0.55 4.77 -1.23 -3.90 117.00 116.93 3h0r n LEU 408 Ca 0.18 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 3h0r n LEU 408 Cb 0.89 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3h0r n LEU 408 CO 0.05 0.03 0.46 -0.08 -1.33 0.00 0.00 177.39 176.53 3h0r h GLU 409 N 0.00 -0.23 -5.02 3.23 4.81 -1.83 -3.40 114.58 112.14 3h0r h GLU 409 Ca 0.00 0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.61 3h0r h GLU 409 Cb 0.52 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.79 3h0r h GLU 409 CO 0.00 -0.15 -0.44 1.21 -0.73 0.00 0.00 179.01 178.89 3h0r s ASN 410 N -2.48 6.11 0.48 1.04 2.47 -1.26 -4.99 114.94 116.31 3h0r s ASN 410 Ca -0.03 0.10 0.23 0.00 0.42 0.00 0.00 52.86 53.58 3h0r s ASN 410 Cb 0.00 -2.14 1.26 0.00 -1.45 0.00 0.00 41.25 38.93 3h0r s ASN 410 CO 0.10 -0.05 1.92 -0.65 -3.72 0.00 0.00 177.10 174.70 3h0r h PRO 411 N 8.08 0.19 -0.96 0.43 0.11 -1.84 -0.35 132.00 137.66 3h0r h PRO 411 Ca -0.35 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.82 3h0r h PRO 411 Cb 1.18 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3h0r h PRO 411 CO 0.60 0.12 0.62 0.82 -0.21 0.00 0.00 178.00 179.96 3h0r h ILE 412 N 0.19 1.07 -0.39 4.15 2.04 -1.94 -1.10 117.51 121.54 3h0r h ILE 412 Ca 0.37 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3h0r h ILE 412 Cb 1.18 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3h0r h ILE 412 CO -0.07 0.20 0.27 -0.33 0.00 0.00 0.00 178.15 178.22 3h0r h GLU 413 N 1.11 0.13 -0.14 2.37 5.08 -1.35 -0.05 114.58 121.72 3h0r h GLU 413 Ca 0.42 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 3h0r h GLU 413 Cb 0.20 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3h0r h GLU 413 CO -0.17 0.08 -0.69 1.98 -1.00 0.00 0.00 179.01 179.22 3h0r h MET 414 N 0.13 0.57 -0.76 2.33 4.05 -1.29 -3.23 114.93 116.73 3h0r h MET 414 Ca 0.18 -0.43 -0.04 0.00 -0.28 0.00 0.00 59.70 59.14 3h0r h MET 414 Cb 0.55 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 3h0r h MET 414 CO -0.02 1.05 0.34 1.88 0.23 0.00 0.00 176.91 180.39 3h0r h TYR 415 N 0.41 1.11 0.00 1.39 0.05 -0.83 -2.52 116.97 116.58 3h0r h TYR 415 Ca -0.02 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3h0r h TYR 415 Cb 1.27 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.67 3h0r h TYR 415 CO 0.06 0.83 0.00 1.28 -1.05 0.00 0.00 178.16 179.27 3h0r n LEU 416 N -4.30 0.10 0.30 3.88 4.77 -0.89 -1.50 117.00 119.36 3h0r n LEU 416 Ca 0.07 0.54 0.18 0.00 -0.03 0.00 0.00 56.01 56.77 3h0r n LEU 416 Cb 0.16 -0.54 0.89 0.00 -2.33 0.00 0.00 43.42 41.59 3h0r n LEU 416 CO 0.40 -0.49 1.06 0.28 -1.33 0.00 0.00 177.39 177.30 3h0r h SER 417 N 0.00 0.00 -0.02 -1.43 0.02 -1.58 -3.25 113.55 107.29 3h0r h SER 417 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h0r h SER 417 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h0r h SER 417 CO 0.00 0.03 -0.06 0.47 -1.14 0.00 0.00 176.83 176.14 3h0r n ASP 418 N -3.24 2.53 -0.18 3.07 8.00 -0.56 -4.59 116.55 121.59 3h0r n ASP 418 Ca -0.01 -1.81 0.26 0.00 0.71 0.00 0.00 54.79 53.93 3h0r n ASP 418 Cb 0.20 0.05 0.67 0.00 -0.02 0.00 0.00 41.12 42.03 3h0r n ASP 418 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3h0r h ILE 419 N 3.88 0.59 -0.01 0.53 3.07 -1.74 0.15 117.51 123.98 3h0r h ILE 419 Ca 0.00 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.38 3h0r h ILE 419 Cb 0.86 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 3h0r h ILE 419 CO 0.00 0.02 -0.55 0.18 -1.05 0.00 0.00 178.15 176.74 3h0r n LEU 420 N -4.34 1.76 -0.08 0.16 4.77 -1.26 -4.56 117.00 113.45 3h0r n LEU 420 Ca 0.18 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.35 3h0r n LEU 420 Cb 0.88 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 3h0r n LEU 420 CO 0.37 0.34 -1.05 0.35 -1.33 0.00 0.00 177.39 176.06 3h0r n THR 421 N -0.33 1.05 -0.09 -5.08 -2.24 0.45 -4.61 114.28 103.43 3h0r n THR 421 Ca 0.08 -0.52 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 3h0r n THR 421 Cb 0.42 -0.89 0.19 0.00 -2.10 0.00 0.00 70.33 67.95 3h0r n THR 421 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3h0r h VAL 422 N 0.00 1.23 -1.00 2.28 -1.51 -1.35 -3.09 116.25 112.81 3h0r h VAL 422 Ca -0.41 -0.92 0.16 0.00 -1.23 0.00 0.00 66.70 64.30 3h0r h VAL 422 Cb 1.79 0.84 -0.10 0.00 -2.13 0.00 0.00 31.29 31.69 3h0r h VAL 422 CO -0.02 0.33 0.62 -0.65 -1.23 0.00 0.00 177.57 176.61 3h0r h PRO 423 N 0.71 0.81 -0.78 5.19 0.11 -1.84 -1.55 132.00 134.66 3h0r h PRO 423 Ca 0.14 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.27 3h0r h PRO 423 Cb 0.39 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.26 3h0r h PRO 423 CO 0.01 0.53 0.46 0.00 -0.21 0.00 0.00 178.00 178.79 3h0r h ALA 424 N 1.60 1.07 -0.39 -0.75 0.00 -1.85 -1.79 119.26 117.14 3h0r h ALA 424 Ca 0.54 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.31 3h0r h ALA 424 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h0r h ALA 424 CO -0.32 0.15 -0.33 -0.91 0.00 0.00 0.00 179.25 177.84 3h0r h ASN 425 N 0.82 0.94 -0.59 0.00 4.21 -1.47 0.17 115.58 119.67 3h0r h ASN 425 Ca 0.35 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 3h0r h ASN 425 Cb 0.21 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 3h0r h ASN 425 CO -0.19 1.18 0.37 -0.07 -1.29 0.00 0.00 177.43 177.43 3h0r h LEU 426 N 0.74 0.70 -0.00 1.61 3.38 -0.92 -2.56 115.31 118.26 3h0r h LEU 426 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h0r h LEU 426 Cb 0.91 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h0r h LEU 426 CO 0.08 0.54 -0.18 0.00 0.09 0.00 0.00 178.44 178.97 3h0r n ALA 427 N -2.28 2.78 -1.11 1.53 0.00 -0.71 -4.87 120.51 115.85 3h0r n ALA 427 Ca 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 3h0r n ALA 427 Cb 0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 3h0r n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 428 N 1.50 0.61 3.89 0.00 0.00 -0.28 -4.97 105.19 105.93 3h0r n GLY 428 Ca 0.07 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3h0r n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 429 N -0.72 4.12 0.58 0.99 1.43 0.45 -1.59 118.68 123.94 3h0r s LEU 429 Ca 0.00 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 53.75 3h0r s LEU 429 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3h0r s LEU 429 CO 0.00 -0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.37 3h0r s PRO 430 N -3.11 3.33 -0.10 1.29 0.04 -1.26 -4.60 135.00 130.60 3h0r s PRO 430 Ca 0.46 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 3h0r s PRO 430 Cb -0.11 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3h0r s PRO 430 CO 0.25 -0.81 0.44 0.00 0.04 0.00 0.00 177.00 176.92 3h0r s ALA 431 N -2.24 -1.11 0.00 8.56 0.00 -0.14 -1.85 121.76 124.99 3h0r s ALA 431 Ca 0.66 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3h0r s ALA 431 Cb -0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3h0r s ALA 431 CO 0.33 -0.25 -0.15 -1.50 0.00 0.00 0.00 175.76 174.18 3h0r s ILE 432 N -0.51 1.20 -0.13 0.00 2.07 -0.52 -1.08 121.20 122.22 3h0r s ILE 432 Ca -0.06 -0.75 -0.03 0.00 -1.41 0.00 0.00 60.65 58.40 3h0r s ILE 432 Cb -0.03 -1.02 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 3h0r s ILE 432 CO 0.03 0.26 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.73 3h0r s SER 433 N -0.56 4.77 -0.04 4.50 0.15 0.12 -1.69 113.70 120.94 3h0r s SER 433 Ca 0.05 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.62 3h0r s SER 433 Cb -0.06 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.61 3h0r s SER 433 CO -0.00 0.22 -0.08 -0.63 1.20 0.00 0.00 173.24 173.95 3h0r s ILE 434 N 0.06 0.78 0.02 6.45 -1.09 0.09 -1.85 121.20 125.66 3h0r s ILE 434 Ca -0.00 -0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 3h0r s ILE 434 Cb -0.14 -0.72 -0.06 0.00 -1.58 0.00 0.00 42.46 39.96 3h0r s ILE 434 CO 0.03 0.26 1.51 -2.84 -1.23 0.00 0.00 174.94 172.67 3h0r s PRO 435 N 0.49 4.24 -0.00 2.79 0.02 -1.26 0.88 135.00 142.16 3h0r s PRO 435 Ca -0.08 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.08 3h0r s PRO 435 Cb -0.12 -3.61 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 3h0r s PRO 435 CO 0.01 -0.65 0.05 0.44 -0.33 0.00 0.00 177.00 176.52 3h0r n ILE 436 N 4.74 0.01 -3.82 2.83 -5.35 0.71 -4.84 119.36 113.64 3h0r n ILE 436 Ca 0.14 -0.06 -0.05 0.00 -0.27 0.00 0.00 62.75 62.51 3h0r n ILE 436 Cb 0.42 0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 3h0r n ILE 436 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h0r s ALA 437 N -2.16 -1.35 -0.13 -1.28 0.00 -1.20 -4.88 121.76 110.76 3h0r s ALA 437 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3h0r s ALA 437 Cb 0.01 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.88 3h0r s ALA 437 CO 0.10 -1.04 -0.14 -1.58 0.00 0.00 0.00 175.76 173.10 3h0r s TRP 438 N -3.18 2.07 -0.17 0.00 0.52 -1.26 -1.56 118.94 115.36 3h0r s TRP 438 Ca 0.14 -1.09 0.00 0.00 0.02 0.00 0.00 56.10 55.17 3h0r s TRP 438 Cb -0.04 -1.52 0.04 0.00 -1.15 0.00 0.00 33.47 30.80 3h0r s TRP 438 CO 0.06 -0.59 -0.10 0.15 0.02 0.00 0.00 176.95 176.49 3h0r s LYS 439 N 1.30 1.93 -1.60 4.98 -0.14 0.15 -4.65 119.74 121.71 3h0r s LYS 439 Ca 0.00 -0.65 -0.04 0.00 -1.36 0.00 0.00 55.97 53.92 3h0r s LYS 439 Cb -0.14 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 3h0r s LYS 439 CO -0.07 -0.37 0.48 -0.25 -0.76 0.00 0.00 175.35 174.38 3h0r n ASP 440 N 4.77 -6.07 0.00 2.83 8.00 -1.26 -2.10 116.55 122.71 3h0r n ASP 440 Ca -0.14 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3h0r n ASP 440 Cb 0.48 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 3h0r n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0r n GLY 441 N -1.42 0.86 3.31 0.44 0.00 -1.26 -5.05 105.19 102.07 3h0r n GLY 441 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3h0r n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 442 N 0.00 2.18 0.52 0.99 1.43 -0.89 -4.90 118.68 118.01 3h0r s LEU 442 Ca 0.00 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 3h0r s LEU 442 Cb 0.00 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 3h0r s LEU 442 CO 0.00 0.27 1.15 -2.65 0.23 0.00 0.00 176.35 175.35 3h0r n PRO 443 N 2.81 1.41 -4.52 1.29 -0.02 -1.26 -0.67 135.00 134.04 3h0r n PRO 443 Ca -0.17 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 3h0r n PRO 443 Cb 0.52 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 3h0r n PRO 443 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h0r s VAL 444 N -1.34 1.02 -0.13 -1.45 1.01 -0.60 -4.66 120.40 114.25 3h0r s VAL 444 Ca 0.70 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 3h0r s VAL 444 Cb -0.46 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3h0r s VAL 444 CO 0.51 0.33 0.07 -0.83 0.00 0.00 0.00 175.10 175.17 3h0r s GLY 445 N 0.59 1.97 -0.15 4.51 0.00 -1.26 -0.21 107.32 112.78 3h0r s GLY 445 Ca -0.12 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 3h0r s GLY 445 CO 0.03 -0.30 0.14 -0.32 0.00 0.00 0.00 173.10 172.65 3h0r s GLY 446 N -0.52 2.13 -0.12 0.20 0.00 0.25 -1.27 107.32 107.98 3h0r s GLY 446 Ca 0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3h0r s GLY 446 CO 0.02 -0.19 -0.04 1.62 0.00 0.00 0.00 173.10 174.51 3h0r s GLN 447 N -0.55 3.35 -0.12 2.90 0.74 0.11 -0.73 119.66 125.36 3h0r s GLN 447 Ca 0.13 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.06 3h0r s GLN 447 Cb -0.12 -2.82 0.01 0.00 1.10 0.00 0.00 33.01 31.18 3h0r s GLN 447 CO 0.02 0.41 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.45 3h0r s LEU 448 N -0.10 2.03 -0.18 3.68 1.43 -0.68 -1.57 118.68 123.29 3h0r s LEU 448 Ca 0.02 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3h0r s LEU 448 Cb -0.13 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3h0r s LEU 448 CO 0.03 0.09 0.01 -0.63 0.23 0.00 0.00 176.35 176.08 3h0r s ILE 449 N 0.68 4.22 0.48 -0.59 1.01 0.11 -1.44 121.20 125.68 3h0r s ILE 449 Ca -0.11 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.36 3h0r s ILE 449 Cb -0.16 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3h0r s ILE 449 CO 0.02 0.46 0.31 -0.83 0.00 0.00 0.00 174.94 174.90 3h0r s GLY 450 N 0.55 2.37 0.74 6.18 0.00 -0.77 -0.40 107.32 115.99 3h0r s GLY 450 Ca -0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 3h0r s GLY 450 CO 0.02 -1.91 1.09 0.54 0.00 0.00 0.00 173.10 172.84 3h0r s LYS 451 N -4.13 2.45 0.08 2.90 1.02 -1.26 -4.08 119.74 116.73 3h0r s LYS 451 Ca 0.36 1.16 -0.35 0.00 0.02 0.00 0.00 55.97 57.16 3h0r s LYS 451 Cb -0.00 -1.92 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 3h0r s LYS 451 CO 0.21 -1.49 1.61 0.72 -0.92 0.00 0.00 175.35 175.48 3h0r n HIS 452 N -3.31 2.16 -0.94 3.18 8.25 -1.26 -1.39 115.22 121.91 3h0r n HIS 452 Ca 0.09 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3h0r n HIS 452 Cb 0.53 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3h0r n HIS 452 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3h0r n TRP 453 N 3.98 0.00 -2.05 4.41 7.02 -1.26 -4.92 117.44 124.61 3h0r n TRP 453 Ca 0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 3h0r n TRP 453 Cb 0.27 -0.42 0.03 0.00 -2.42 0.00 0.00 31.31 28.77 3h0r n TRP 453 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3h0r n ASP 454 N -0.13 7.02 0.05 -0.99 2.03 -0.48 -4.63 116.55 119.42 3h0r n ASP 454 Ca 0.00 -3.81 0.03 0.00 0.52 0.00 0.00 54.79 51.53 3h0r n ASP 454 Cb 0.06 -0.97 0.42 0.00 -0.72 0.00 0.00 41.12 39.91 3h0r n ASP 454 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3h0r h GLU 455 N 2.98 0.43 -0.47 -0.67 3.07 -1.92 -3.09 114.58 114.92 3h0r h GLU 455 Ca 0.52 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.39 3h0r h GLU 455 Cb 0.19 -0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.93 3h0r h GLU 455 CO 1.32 0.36 -0.53 1.15 -1.40 0.00 0.00 179.01 179.92 3h0r h THR 456 N 0.44 0.02 -0.18 1.13 2.02 -1.98 0.42 112.91 114.78 3h0r h THR 456 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3h0r h THR 456 Cb 0.09 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3h0r h THR 456 CO -0.01 0.00 0.08 0.74 0.37 0.00 0.00 175.52 176.70 3h0r h THR 457 N -0.34 0.99 -0.95 3.16 2.02 -1.93 0.28 112.91 116.13 3h0r h THR 457 Ca 0.10 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 67.41 3h0r h THR 457 Cb 0.58 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.67 3h0r h THR 457 CO -0.63 0.03 0.53 -0.07 0.37 0.00 0.00 175.52 175.75 3h0r h LEU 458 N 0.18 0.62 -0.21 2.58 4.07 -1.49 -0.99 115.31 120.07 3h0r h LEU 458 Ca 0.08 0.11 -0.22 0.00 0.08 0.00 0.00 57.88 57.93 3h0r h LEU 458 Cb 0.02 0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.79 3h0r h LEU 458 CO -0.06 0.18 -0.83 -0.07 -1.08 0.00 0.00 178.44 176.58 3h0r h LEU 459 N 0.63 0.75 -0.15 1.67 3.38 0.33 -2.71 115.31 119.21 3h0r h LEU 459 Ca 0.56 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3h0r h LEU 459 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3h0r h LEU 459 CO -0.42 1.31 0.06 1.56 0.09 0.00 0.00 178.44 181.03 3h0r h GLN 460 N 0.40 0.22 -0.35 1.13 4.20 0.66 0.09 115.11 121.46 3h0r h GLN 460 Ca -0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 3h0r h GLN 460 Cb 1.45 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.18 3h0r h GLN 460 CO 0.16 0.31 -0.00 0.82 -0.67 0.00 0.00 178.83 179.45 3h0r h ILE 461 N 0.08 1.20 -0.53 2.54 2.04 -1.31 -0.19 117.51 121.34 3h0r h ILE 461 Ca 0.05 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3h0r h ILE 461 Cb 0.18 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3h0r h ILE 461 CO -0.00 0.28 -0.02 -1.28 0.00 0.00 0.00 178.15 177.13 3h0r h SER 462 N 0.52 0.90 -0.43 1.72 0.87 -1.08 -0.31 113.55 115.74 3h0r h SER 462 Ca 0.11 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 3h0r h SER 462 Cb 0.34 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3h0r h SER 462 CO 0.01 0.97 0.03 0.22 -0.53 0.00 0.00 176.83 177.53 3h0r h TYR 463 N 0.85 0.81 -0.71 2.24 3.20 -0.09 -1.98 116.97 121.28 3h0r h TYR 463 Ca 0.15 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3h0r h TYR 463 Cb 0.52 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3h0r h TYR 463 CO 0.03 0.79 0.22 1.25 -1.64 0.00 0.00 178.16 178.80 3h0r h LEU 464 N 0.59 1.04 -1.02 2.82 5.85 -0.92 -3.07 115.31 120.60 3h0r h LEU 464 Ca 0.13 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3h0r h LEU 464 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3h0r h LEU 464 CO 0.02 0.98 -0.26 -0.25 -0.34 0.00 0.00 178.44 178.59 3h0r h TRP 465 N 1.05 0.44 0.00 1.25 2.91 -0.88 -2.78 115.95 117.94 3h0r h TRP 465 Ca 0.23 -0.09 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 3h0r h TRP 465 Cb 0.31 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 3h0r h TRP 465 CO 0.02 0.62 -0.44 1.05 -1.03 0.00 0.00 178.44 178.67 3h0r h GLU 466 N 0.35 0.00 -0.56 2.65 4.11 -1.33 0.16 114.58 119.96 3h0r h GLU 466 Ca 0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.39 3h0r h GLU 466 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3h0r h GLU 466 CO 0.05 0.44 -0.02 1.96 0.07 0.00 0.00 179.01 181.51 3h0r h GLN 467 N 0.00 1.00 -0.08 1.06 1.08 -1.40 -2.90 115.11 113.87 3h0r h GLN 467 Ca -0.00 -0.33 -0.21 0.00 -1.45 0.00 0.00 58.65 56.66 3h0r h GLN 467 Cb 1.01 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3h0r h GLN 467 CO 0.06 1.01 -0.82 0.87 -0.95 0.00 0.00 178.83 178.99 3h0r h LYS 468 N 0.89 0.56 -3.46 1.46 1.57 -1.35 -3.42 116.57 112.81 3h0r h LYS 468 Ca 0.16 -0.50 -0.56 0.00 -1.87 0.00 0.00 60.65 57.88 3h0r h LYS 468 Cb 0.56 0.12 -0.40 0.00 0.08 0.00 0.00 32.23 32.59 3h0r h LYS 468 CO 0.03 1.12 -0.76 0.12 -0.57 0.00 0.00 179.45 179.39 3h0r s PHE 469 N -3.56 1.39 -1.31 -1.35 5.36 0.53 -5.05 117.98 113.98 3h0r s PHE 469 Ca -0.08 -1.43 -0.11 0.00 -0.96 0.00 0.00 56.93 54.35 3h0r s PHE 469 Cb 0.09 -1.45 0.14 0.00 -0.34 0.00 0.00 43.02 41.45 3h0r s PHE 469 CO 0.87 -0.81 1.90 1.63 -1.46 0.00 0.00 175.22 177.35 3h0r n LYS 470 N 4.94 3.41 0.23 10.12 5.02 -1.12 -4.15 118.16 136.62 3h0r n LYS 470 Ca -0.04 -3.36 0.16 0.00 -2.02 0.00 0.00 58.31 53.05 3h0r n LYS 470 Cb 0.43 -3.04 0.72 0.00 -0.02 0.00 0.00 35.03 33.12 3h0r n LYS 470 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3h0r h HIS 471 N 6.03 0.00 0.00 2.13 2.07 -1.92 -2.64 115.15 120.82 3h0r h HIS 471 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3h0r h HIS 471 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 3h0r h HIS 471 CO 1.29 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.63 3h0r n TYR 472 N -2.75 0.00 0.53 6.12 0.18 -1.26 -2.47 117.16 117.52 3h0r n TYR 472 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.89 3h0r n TYR 472 Cb 0.21 -0.47 0.02 0.00 -0.38 0.00 0.00 39.34 38.72 3h0r n TYR 472 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3h0r n GLU 473 N -1.47 0.31 -2.65 -3.48 1.02 -1.00 -4.80 120.64 108.58 3h0r n GLU 473 Ca 0.05 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3h0r n GLU 473 Cb 0.21 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3h0r n GLU 473 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3h0r s LYS 474 N -3.21 4.00 -0.01 3.49 -0.14 -1.03 -5.02 119.74 117.82 3h0r s LYS 474 Ca 0.03 0.96 0.02 0.00 -1.36 0.00 0.00 55.97 55.62 3h0r s LYS 474 Cb 0.14 -3.77 -0.00 0.00 -1.68 0.00 0.00 37.83 32.52 3h0r s LYS 474 CO 0.80 -0.97 -0.05 0.42 -0.76 0.00 0.00 175.35 174.79 3h0r s ILE 475 N 3.75 0.41 -0.11 2.17 1.01 -1.26 -5.06 121.20 122.13 3h0r s ILE 475 Ca 0.45 -0.20 0.20 0.00 0.00 0.00 0.00 60.65 61.10 3h0r s ILE 475 Cb -0.11 -0.37 -0.27 0.00 0.01 0.00 0.00 42.46 41.72 3h0r s ILE 475 CO 0.18 0.13 0.41 -0.81 0.00 0.00 0.00 174.94 174.85 3h0r n PRO 476 N 3.09 0.66 -3.01 2.79 -0.04 -1.26 -4.79 135.00 132.44 3h0r n PRO 476 Ca -0.15 -0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.13 3h0r n PRO 476 Cb 0.57 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3h0r n PRO 476 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h0r s LEU 477 N -5.02 -0.59 0.00 1.53 2.96 -1.26 -4.80 118.68 111.50 3h0r s LEU 477 Ca -0.08 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 51.83 3h0r s LEU 477 Cb 0.11 1.18 0.00 0.00 0.50 0.00 0.00 46.19 47.97 3h0r s LEU 477 CO 0.87 -0.11 0.00 0.35 -1.32 0.00 0.00 176.35 176.14