#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 0.16 -0.89 7.94 -1.26 -4.20 117.00 118.76 3h0r n LEU 2 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3h0r n LEU 2 Cb 0.00 0.00 0.55 0.00 0.53 0.00 0.00 43.42 44.50 3h0r n LEU 2 CO 0.00 0.00 0.88 4.11 -1.11 0.00 0.00 177.39 181.27 3h0r h TRP 3 N 0.00 0.00 -0.00 1.96 5.08 -1.90 -1.09 115.95 119.99 3h0r h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3h0r h TRP 3 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3h0r h TRP 3 CO 0.00 0.00 -0.06 1.17 -1.28 0.00 0.00 178.44 178.27 3h0r n LYS 4 N -2.39 0.90 -3.88 0.12 4.81 -1.26 -4.91 118.16 111.55 3h0r n LYS 4 Ca 0.01 -0.29 -0.31 0.00 -0.87 0.00 0.00 58.31 56.86 3h0r n LYS 4 Cb 0.22 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.30 3.47 0.89 1.64 1.02 -0.41 -4.84 119.74 119.20 3h0r s LYS 5 Ca 0.34 -0.40 -0.13 0.00 0.02 0.00 0.00 55.97 55.80 3h0r s LYS 5 Cb 0.21 -3.00 0.13 0.00 -0.52 0.00 0.00 37.83 34.65 3h0r s LYS 5 CO 0.43 0.57 1.20 -1.54 -0.92 0.00 0.00 175.35 175.10 3h0r s SER 6 N -2.58 3.76 0.44 2.83 1.04 -1.26 -4.80 113.70 113.14 3h0r s SER 6 Ca 0.36 0.68 0.22 0.00 0.48 0.00 0.00 55.95 57.69 3h0r s SER 6 Cb -0.13 -1.06 1.02 0.00 0.10 0.00 0.00 66.02 65.95 3h0r s SER 6 CO 0.28 -2.37 1.89 -0.07 0.98 0.00 0.00 173.24 173.95 3h0r h LEU 7 N -1.38 0.00 -0.11 2.42 3.38 -1.97 0.19 115.31 117.84 3h0r h LEU 7 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 3h0r h LEU 7 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3h0r h LEU 7 CO 0.56 0.25 -0.26 0.28 0.09 0.00 0.00 178.44 179.36 3h0r h SER 8 N 0.00 0.42 -0.30 -0.43 0.02 -1.99 0.80 113.55 112.08 3h0r h SER 8 Ca -0.00 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 3h0r h SER 8 Cb 0.61 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3h0r h SER 8 CO 0.03 0.92 0.14 -0.33 -1.14 0.00 0.00 176.83 176.45 3h0r h GLU 9 N -0.06 0.43 -0.38 3.45 3.07 -1.86 -2.33 114.58 116.89 3h0r h GLU 9 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3h0r h GLU 9 Cb 0.86 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 3h0r h GLU 9 CO 0.06 0.41 0.22 -0.07 -1.40 0.00 0.00 179.01 178.22 3h0r h LEU 10 N 0.34 0.46 -0.23 1.33 4.07 -0.63 -2.69 115.31 117.97 3h0r h LEU 10 Ca 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 3h0r h LEU 10 Cb 0.12 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h0r h LEU 10 CO -0.01 0.40 0.09 -0.09 -1.08 0.00 0.00 178.44 177.75 3h0r h ARG 11 N 0.49 0.34 -0.64 1.13 2.43 -0.77 -1.21 114.38 116.14 3h0r h ARG 11 Ca 0.13 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 3h0r h ARG 11 Cb 0.03 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 3h0r h ARG 11 CO -0.02 0.38 0.29 1.49 -1.51 0.00 0.00 179.97 180.60 3h0r h GLU 12 N 0.22 0.50 -0.30 0.20 4.81 -1.42 0.26 114.58 118.84 3h0r h GLU 12 Ca 0.08 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3h0r h GLU 12 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3h0r h GLU 12 CO -0.01 0.33 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.42 3h0r h LEU 13 N 0.51 0.48 0.17 1.64 4.07 -1.17 -2.74 115.31 118.28 3h0r h LEU 13 Ca 0.31 -0.12 -0.31 0.00 0.08 0.00 0.00 57.88 57.85 3h0r h LEU 13 Cb 0.34 -0.13 0.03 0.00 1.08 0.00 0.00 40.66 41.98 3h0r h LEU 13 CO -0.27 0.63 -1.35 -0.07 -1.08 0.00 0.00 178.44 176.30 3h0r h LEU 14 N 0.46 0.71 -0.82 1.67 3.38 -0.01 -0.76 115.31 119.94 3h0r h LEU 14 Ca 0.09 -0.73 -0.10 0.00 0.09 0.00 0.00 57.88 57.22 3h0r h LEU 14 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3h0r h LEU 14 CO 0.03 1.57 -0.21 0.50 0.09 0.00 0.00 178.44 180.41 3h0r h LYS 15 N 0.15 0.66 -0.58 1.13 3.64 -0.51 -2.67 116.57 118.39 3h0r h LYS 15 Ca -0.20 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3h0r h LYS 15 Cb 2.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 3h0r h LYS 15 CO 0.24 0.82 0.00 0.54 -2.27 0.00 0.00 179.45 178.78 3h0r n ARG 16 N -4.13 2.68 -0.62 1.90 1.74 -1.04 -4.94 116.66 112.25 3h0r n ARG 16 Ca 0.00 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 3h0r n ARG 16 Cb 0.41 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.12 0.63 0.38 -0.13 0.00 -1.01 -4.81 105.19 101.37 3h0r n GLY 17 Ca 0.19 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.40 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 1.36 0.05 -4.38 1.61 5.08 -1.44 -3.42 114.58 113.44 3h0r h GLU 18 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3h0r h GLU 18 Cb 0.00 -0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.06 3h0r h GLU 18 CO 0.00 0.03 -0.71 0.54 -1.00 0.00 0.00 179.01 177.88 3h0r s VAL 19 N -5.06 0.41 0.19 3.13 0.11 -0.80 -5.03 120.40 113.35 3h0r s VAL 19 Ca -0.05 -1.41 0.07 0.00 -2.93 0.00 0.00 61.98 57.65 3h0r s VAL 19 Cb 0.20 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3h0r s VAL 19 CO 0.73 -0.67 0.06 -0.94 -3.33 0.00 0.00 175.10 170.96 3h0r s SER 20 N -2.21 5.07 0.34 3.54 1.04 -1.26 -4.36 113.70 115.85 3h0r s SER 20 Ca -0.02 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.15 3h0r s SER 20 Cb -0.02 -1.18 0.72 0.00 0.10 0.00 0.00 66.02 65.63 3h0r s SER 20 CO -0.03 0.06 1.89 -0.65 0.98 0.00 0.00 173.24 175.49 3h0r h PRO 21 N 2.43 0.78 -0.71 4.02 0.11 -1.89 -1.34 132.00 135.39 3h0r h PRO 21 Ca -0.47 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3h0r h PRO 21 Cb 1.21 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3h0r h PRO 21 CO 0.60 0.52 0.26 -0.22 -0.21 0.00 0.00 178.00 178.95 3h0r h LYS 22 N 0.80 1.07 -0.02 1.05 3.64 -1.89 -2.05 116.57 119.17 3h0r h LYS 22 Ca 0.41 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3h0r h LYS 22 Cb 0.50 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3h0r h LYS 22 CO -0.18 0.89 0.01 0.93 -2.27 0.00 0.00 179.45 178.83 3h0r h GLU 23 N 1.04 0.03 -0.30 1.90 5.08 -1.66 0.27 114.58 120.93 3h0r h GLU 23 Ca 0.24 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3h0r h GLU 23 Cb 0.24 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3h0r h GLU 23 CO -0.02 0.09 -0.10 0.28 -1.00 0.00 0.00 179.01 178.27 3h0r h VAL 24 N -0.04 0.65 -0.47 3.13 2.07 -1.26 0.11 116.25 120.43 3h0r h VAL 24 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3h0r h VAL 24 Cb 0.07 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3h0r h VAL 24 CO -0.00 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.43 3h0r h VAL 25 N -0.03 1.01 -0.77 2.57 2.07 -1.17 -2.35 116.25 117.58 3h0r h VAL 25 Ca 0.15 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3h0r h VAL 25 Cb 0.26 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3h0r h VAL 25 CO -0.33 0.09 0.48 -0.33 0.02 0.00 0.00 177.57 177.50 3h0r h GLU 26 N 0.52 0.87 0.11 1.57 5.08 -0.00 0.13 114.58 122.86 3h0r h GLU 26 Ca 0.19 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3h0r h GLU 26 Cb 0.06 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3h0r h GLU 26 CO -0.11 0.58 -0.25 1.03 -1.00 0.00 0.00 179.01 179.26 3h0r h SER 27 N 0.90 -0.70 0.01 1.42 0.87 -0.32 -0.29 113.55 115.44 3h0r h SER 27 Ca 0.33 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3h0r h SER 27 Cb 0.10 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3h0r h SER 27 CO -0.15 -0.33 -0.25 -0.26 -0.53 0.00 0.00 176.83 175.31 3h0r h PHE 28 N -0.45 0.43 -0.38 2.24 0.04 -1.17 -2.51 116.94 115.14 3h0r h PHE 28 Ca 0.03 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3h0r h PHE 28 Cb 0.47 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3h0r h PHE 28 CO -0.23 0.61 0.18 -0.92 -0.60 0.00 0.00 178.31 177.35 3h0r h TYR 29 N 0.34 0.34 0.03 -0.55 5.03 -0.34 0.27 116.97 122.09 3h0r h TYR 29 Ca 0.05 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.40 3h0r h TYR 29 Cb 0.63 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 3h0r h TYR 29 CO 0.02 0.18 -0.17 -0.44 -1.32 0.00 0.00 178.16 176.42 3h0r h ASP 30 N 0.38 -0.49 -0.65 -2.11 3.32 -0.78 0.76 116.42 116.85 3h0r h ASP 30 Ca 0.16 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3h0r h ASP 30 Cb 0.08 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3h0r h ASP 30 CO -0.12 -0.24 0.43 -0.09 -1.72 0.00 0.00 179.24 177.50 3h0r h ARG 31 N -0.29 0.76 0.18 3.56 9.65 -1.19 0.28 114.38 127.34 3h0r h ARG 31 Ca 0.05 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3h0r h ARG 31 Cb 0.35 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3h0r h ARG 31 CO -0.14 0.51 -0.13 -0.92 2.80 0.00 0.00 179.97 182.08 3h0r h TYR 32 N 0.79 -0.33 -0.57 2.20 3.20 0.15 -2.45 116.97 119.95 3h0r h TYR 32 Ca 0.25 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3h0r h TYR 32 Cb 0.04 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3h0r h TYR 32 CO -0.00 -0.20 0.34 -0.91 -1.64 0.00 0.00 178.16 175.75 3h0r h ASN 33 N -0.31 0.68 -0.70 -2.11 2.35 0.75 0.24 115.58 116.47 3h0r h ASN 33 Ca -0.01 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3h0r h ASN 33 Cb 0.27 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3h0r h ASN 33 CO 0.00 0.52 0.41 1.56 -1.65 0.00 0.00 177.43 178.27 3h0r h GLN 34 N 0.78 0.74 0.00 0.81 4.20 -0.28 -3.37 115.11 118.00 3h0r h GLN 34 Ca 0.21 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3h0r h GLN 34 Cb -0.03 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3h0r h GLN 34 CO -0.04 0.49 -1.58 0.25 -0.67 0.00 0.00 178.83 177.28 3h0r n THR 35 N -4.74 0.34 0.10 -0.54 -2.24 -0.78 -4.73 114.28 101.68 3h0r n THR 35 Ca 0.09 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 3h0r n THR 35 Cb 0.16 -0.24 0.15 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.19 -0.18 -0.78 4.57 -1.13 -1.51 114.58 115.73 3h0r h GLU 36 Ca -0.13 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 3h0r h GLU 36 Cb 1.04 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3h0r h GLU 36 CO 0.01 0.71 -0.08 1.49 -1.18 0.00 0.00 179.01 179.96 3h0r h GLU 37 N 0.14 0.27 0.00 1.92 4.81 -1.83 0.72 114.58 120.62 3h0r h GLU 37 Ca -0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3h0r h GLU 37 Cb 1.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3h0r h GLU 37 CO 0.09 0.37 -0.00 0.87 -0.73 0.00 0.00 179.01 179.60 3h0r h LYS 38 N 0.26 -0.00 0.16 1.92 1.57 -1.66 -3.42 116.57 115.40 3h0r h LYS 38 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3h0r h LYS 38 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h0r h LYS 38 CO 0.01 0.81 -0.08 0.28 -0.57 0.00 0.00 179.45 179.91 3h0r h VAL 39 N -1.00 0.66 -4.48 0.50 2.07 -1.23 -3.42 116.25 109.35 3h0r h VAL 39 Ca -0.00 -1.15 -0.20 0.00 0.82 0.00 0.00 66.70 66.17 3h0r h VAL 39 Cb 0.81 1.14 0.12 0.00 -1.52 0.00 0.00 31.29 31.84 3h0r h VAL 39 CO 0.00 0.19 -0.53 0.29 0.02 0.00 0.00 177.57 177.54 3h0r n LYS 40 N -4.90 -3.53 0.10 1.57 5.02 0.24 -0.43 118.16 116.23 3h0r n LYS 40 Ca -0.06 0.57 -0.05 0.00 -2.02 0.00 0.00 58.31 56.75 3h0r n LYS 40 Cb 0.23 -4.63 0.04 0.00 -0.02 0.00 0.00 35.03 30.65 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 0.40 0.68 -3.00 7.82 0.00 -1.88 -3.38 119.26 119.90 3h0r h ALA 41 Ca -0.40 -0.70 -0.66 0.00 0.00 0.00 0.00 54.91 53.15 3h0r h ALA 41 Cb 1.22 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3h0r h ALA 41 CO 0.32 0.95 -0.55 0.71 0.00 0.00 0.00 179.25 180.68 3h0r s TYR 42 N -3.25 3.37 -0.16 0.00 1.51 -1.26 0.44 117.35 118.00 3h0r s TYR 42 Ca -0.01 0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 56.21 3h0r s TYR 42 Cb 0.11 -1.81 -0.23 0.00 -0.11 0.00 0.00 41.96 39.92 3h0r s TYR 42 CO 0.80 0.59 0.33 0.82 -1.11 0.00 0.00 175.55 176.97 3h0r h ILE 43 N 3.61 0.81 -2.95 2.71 2.04 -0.67 -3.43 117.51 119.63 3h0r h ILE 43 Ca -0.51 -2.28 -0.58 0.00 1.00 0.00 0.00 64.86 62.50 3h0r h ILE 43 Cb 1.20 2.41 -0.40 0.00 -0.74 0.00 0.00 36.82 39.29 3h0r h ILE 43 CO 0.60 0.61 -0.77 -0.89 0.00 0.00 0.00 178.15 177.70 3h0r s THR 44 N -2.46 0.64 0.26 -0.27 2.01 -0.61 -4.99 115.64 110.22 3h0r s THR 44 Ca -0.25 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 59.94 3h0r s THR 44 Cb 0.06 -1.48 -0.10 0.00 0.01 0.00 0.00 72.50 70.99 3h0r s THR 44 CO 0.69 -0.78 1.34 -2.16 -0.69 0.00 0.00 174.62 173.02 3h0r s PRO 45 N 1.41 4.35 -0.08 4.92 0.04 -1.26 0.44 135.00 144.82 3h0r s PRO 45 Ca 0.12 2.18 0.12 0.00 0.04 0.00 0.00 61.00 63.47 3h0r s PRO 45 Cb -0.19 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.41 3h0r s PRO 45 CO -0.19 -0.27 1.08 1.28 0.04 0.00 0.00 177.00 178.94 3h0r n LEU 46 N 1.84 1.65 -0.35 -3.56 4.77 0.81 -4.79 117.00 117.37 3h0r n LEU 46 Ca 0.04 -2.37 0.02 0.00 -0.03 0.00 0.00 56.01 53.66 3h0r n LEU 46 Cb 0.42 -0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.40 3h0r n LEU 46 CO 0.59 0.55 1.23 1.88 -1.33 0.00 0.00 177.39 180.32 3h0r h TYR 47 N 0.00 1.11 -0.27 -1.77 -1.99 -1.78 0.17 116.97 112.44 3h0r h TYR 47 Ca 0.00 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.82 3h0r h TYR 47 Cb 1.06 -0.36 -0.06 0.00 2.00 0.00 0.00 36.73 39.37 3h0r h TYR 47 CO 0.03 0.56 -0.13 0.78 -0.00 0.00 0.00 178.16 179.40 3h0r h GLY 48 N 1.08 0.10 1.74 3.88 0.00 -1.90 0.22 103.07 108.19 3h0r h GLY 48 Ca 0.41 0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.77 3h0r h GLY 48 CO -0.18 -0.15 -0.54 1.70 0.00 0.00 0.00 176.54 177.38 3h0r h LYS 49 N -0.09 0.27 -0.46 4.80 3.64 -1.61 -2.96 116.57 120.16 3h0r h LYS 49 Ca 0.14 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3h0r h LYS 49 Cb 0.30 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3h0r h LYS 49 CO -0.33 0.74 -0.22 0.00 -2.27 0.00 0.00 179.45 177.37 3h0r h ALA 50 N 1.23 0.73 -0.46 5.00 0.00 -0.17 -1.59 119.26 123.99 3h0r h ALA 50 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.62 3h0r h ALA 50 Cb 1.01 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 3h0r h ALA 50 CO 0.08 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.77 3h0r h LEU 51 N 0.81 -0.57 -0.82 0.00 4.07 -0.42 0.48 115.31 118.87 3h0r h LEU 51 Ca 0.11 0.15 -0.08 0.00 0.08 0.00 0.00 57.88 58.14 3h0r h LEU 51 Cb 0.79 0.34 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 3h0r h LEU 51 CO 0.07 -0.20 -0.01 0.11 -1.08 0.00 0.00 178.44 177.33 3h0r h LYS 52 N -0.06 0.88 0.00 1.13 1.57 -1.41 -2.80 116.57 115.87 3h0r h LYS 52 Ca 0.22 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3h0r h LYS 52 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h0r h LYS 52 CO -0.50 0.88 -0.33 1.96 -0.57 0.00 0.00 179.45 180.88 3h0r h GLN 53 N 0.81 0.00 -0.19 3.15 4.20 -0.65 -3.01 115.11 119.41 3h0r h GLN 53 Ca 0.15 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3h0r h GLN 53 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3h0r h GLN 53 CO 0.02 0.33 -0.31 0.00 -0.67 0.00 0.00 178.83 178.21 3h0r h ALA 54 N 1.67 1.12 -0.92 3.87 0.00 -0.64 -3.05 119.26 121.30 3h0r h ALA 54 Ca -0.00 -0.36 0.14 0.00 0.00 0.00 0.00 54.91 54.68 3h0r h ALA 54 Cb 0.70 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3h0r h ALA 54 CO 0.04 0.56 0.54 0.93 0.00 0.00 0.00 179.25 181.32 3h0r h GLU 55 N 0.33 0.77 -0.07 0.00 5.08 -1.54 -2.01 114.58 117.15 3h0r h GLU 55 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0r h GLU 55 Cb 0.71 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3h0r h GLU 55 CO 0.05 0.51 0.00 -1.13 -1.00 0.00 0.00 179.01 177.44 3h0r n SER 56 N -4.75 2.02 -4.65 1.42 3.41 -1.16 -4.85 113.62 105.07 3h0r n SER 56 Ca 0.18 -1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 56.68 3h0r n SER 56 Cb 0.41 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.90 4.06 0.00 1.04 0.20 -0.76 -4.89 118.68 116.44 3h0r s LEU 57 Ca 0.35 1.15 0.00 0.00 0.69 0.00 0.00 54.13 56.32 3h0r s LEU 57 Cb 0.20 -3.40 0.00 0.00 -0.43 0.00 0.00 46.19 42.56 3h0r s LEU 57 CO 0.31 -0.66 0.00 0.29 -0.29 0.00 0.00 176.35 176.00 3h0r n LYS 58 N 6.33 0.00 -1.92 1.98 5.02 -1.26 -4.95 118.16 123.37 3h0r n LYS 58 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 3h0r n LYS 58 Cb 0.47 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.90 2.91 0.40 1.97 2.12 -1.26 -4.85 118.70 118.09 3h0r s GLU 59 Ca 0.00 1.21 0.21 0.00 0.36 0.00 0.00 54.97 56.75 3h0r s GLU 59 Cb 0.00 -4.33 0.68 0.00 0.26 0.00 0.00 34.13 30.74 3h0r s GLU 59 CO 0.00 -2.37 1.73 0.00 -0.54 0.00 0.00 175.26 174.08 3h0r h ARG 60 N 14.71 0.00 0.00 4.30 3.08 -1.94 -3.18 114.38 131.35 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3h0r h ARG 60 CO 1.10 0.30 0.00 0.39 -1.07 0.00 0.00 179.97 180.69 3h0r n GLU 61 N -3.37 0.06 -1.69 0.04 -0.58 -1.26 -4.63 120.64 109.21 3h0r n GLU 61 Ca 0.01 0.10 -0.44 0.00 -0.42 0.00 0.00 57.16 56.41 3h0r n GLU 61 Cb 0.51 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 3h0r n GLU 61 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h0r n LEU 62 N -1.46 3.51 -0.32 -4.62 4.32 -1.21 -4.88 117.00 112.34 3h0r n LEU 62 Ca 0.07 1.10 0.22 0.00 -0.02 0.00 0.00 56.01 57.38 3h0r n LEU 62 Cb 0.25 -1.49 0.50 0.00 -1.62 0.00 0.00 43.42 41.06 3h0r n LEU 62 CO 0.20 -0.15 1.22 -0.65 -1.22 0.00 0.00 177.39 176.79 3h0r h PRO 63 N 5.57 0.40 -0.38 3.23 0.11 -1.87 0.79 132.00 139.85 3h0r h PRO 63 Ca -0.45 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 3h0r h PRO 63 Cb 1.24 -0.09 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 3h0r h PRO 63 CO 0.86 0.26 -0.50 1.28 -0.21 0.00 0.00 178.00 179.70 3h0r n LEU 64 N -4.62 3.99 -0.24 2.35 4.77 0.55 -4.98 117.00 118.82 3h0r n LEU 64 Ca 0.25 -4.23 -0.04 0.00 -0.03 0.00 0.00 56.01 51.96 3h0r n LEU 64 Cb 0.85 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3h0r n LEU 64 CO 0.26 1.66 0.31 0.33 -1.33 0.00 0.00 177.39 178.61 3h0r n PHE 65 N -0.96 -0.13 -1.23 -1.77 7.35 0.27 -1.46 117.46 119.52 3h0r n PHE 65 Ca 0.33 0.73 0.09 0.00 -0.76 0.00 0.00 57.45 57.83 3h0r n PHE 65 Cb 0.85 -0.63 0.14 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.21 4.55 3.67 7.13 0.00 -1.26 -4.33 105.19 113.74 3h0r n GLY 66 Ca 0.03 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.68 4.83 0.47 -0.61 -1.09 -0.54 -4.77 121.20 116.81 3h0r s ILE 67 Ca 0.30 1.74 -0.23 0.00 -2.23 0.00 0.00 60.65 60.24 3h0r s ILE 67 Cb 0.27 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 3h0r s ILE 67 CO 0.01 -0.03 1.17 -2.84 -1.23 0.00 0.00 174.94 172.02 3h0r s PRO 68 N 2.42 3.71 -0.10 2.79 0.02 -1.26 -0.58 135.00 142.01 3h0r s PRO 68 Ca 0.40 1.78 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 3h0r s PRO 68 Cb -0.16 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.03 3h0r s PRO 68 CO 0.11 -0.59 0.22 -1.50 -0.33 0.00 0.00 177.00 174.91 3h0r s ILE 69 N -1.55 -0.13 0.51 2.83 1.10 -0.46 -4.40 121.20 119.10 3h0r s ILE 69 Ca 0.64 0.20 -0.06 0.00 -0.51 0.00 0.00 60.65 60.93 3h0r s ILE 69 Cb -0.29 -0.35 -0.03 0.00 0.15 0.00 0.00 42.46 41.94 3h0r s ILE 69 CO 0.35 0.08 0.82 0.00 -2.11 0.00 0.00 174.94 174.07 3h0r s ALA 70 N 1.53 3.37 -0.07 1.50 0.00 -1.13 -1.42 121.76 125.55 3h0r s ALA 70 Ca -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 3h0r s ALA 70 Cb -0.11 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.43 3h0r s ALA 70 CO -0.08 -0.44 0.17 0.08 0.00 0.00 0.00 175.76 175.50 3h0r s VAL 71 N -2.80 -0.04 0.42 0.00 1.01 -0.54 -1.94 120.40 116.51 3h0r s VAL 71 Ca 0.49 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 3h0r s VAL 71 Cb -0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 3h0r s VAL 71 CO 0.45 0.06 1.43 -0.75 0.00 0.00 0.00 175.10 176.29 3h0r s LYS 72 N 1.00 3.88 -0.06 2.72 2.20 -0.85 -0.40 119.74 128.23 3h0r s LYS 72 Ca -0.08 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3h0r s LYS 72 Cb -0.09 -2.79 0.08 0.00 -1.51 0.00 0.00 37.83 33.52 3h0r s LYS 72 CO -0.05 -0.67 1.16 -3.47 -0.36 0.00 0.00 175.35 171.96 3h0r n ASP 73 N 0.10 3.22 -0.04 1.43 2.03 -0.92 -1.62 116.55 120.74 3h0r n ASP 73 Ca 0.03 -2.22 0.01 0.00 0.52 0.00 0.00 54.79 53.13 3h0r n ASP 73 Cb 0.41 -0.57 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.33 2.09 -4.55 1.67 0.23 -1.26 -0.20 115.26 113.57 3h0r n ASN 74 Ca 0.08 -2.12 -0.34 0.00 -0.53 0.00 0.00 54.58 51.66 3h0r n ASN 74 Cb 0.64 -0.06 -0.11 0.00 -2.08 0.00 0.00 39.78 38.17 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 -1.21 4.32 -0.15 1.53 1.01 -0.64 -0.79 121.20 125.27 3h0r s ILE 75 Ca 0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 3h0r s ILE 75 Cb 0.04 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3h0r s ILE 75 CO 0.01 0.47 1.21 -0.76 0.00 0.00 0.00 174.94 175.86 3h0r s LEU 76 N 0.47 4.19 -0.20 2.97 1.02 -0.34 -4.88 118.68 121.92 3h0r s LEU 76 Ca -0.00 1.67 -0.02 0.00 0.02 0.00 0.00 54.13 55.80 3h0r s LEU 76 Cb -0.13 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.54 3h0r s LEU 76 CO 0.02 -0.70 -0.11 -0.69 0.02 0.00 0.00 176.35 174.89 3h0r s VAL 77 N 3.10 2.82 0.27 -1.59 1.01 -1.26 -1.02 120.40 123.74 3h0r s VAL 77 Ca 0.53 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3h0r s VAL 77 Cb -0.21 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.81 3h0r s VAL 77 CO 0.15 0.48 1.54 -0.70 0.00 0.00 0.00 175.10 176.56 3h0r s GLU 78 N 1.34 4.18 0.00 2.72 -6.30 -1.23 -2.50 118.70 116.91 3h0r s GLU 78 Ca 0.04 2.47 0.00 0.00 -2.50 0.00 0.00 54.97 54.98 3h0r s GLU 78 Cb -0.14 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 30.93 3h0r s GLU 78 CO -0.07 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.07 3h0r n GLY 79 N 2.24 3.09 3.64 -1.50 0.00 0.17 -4.96 105.19 107.87 3h0r n GLY 79 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.42 2.32 0.32 1.61 0.41 -1.04 -4.79 118.70 117.11 3h0r s GLU 80 Ca 0.00 -1.16 -0.29 0.00 -0.41 0.00 0.00 54.97 53.11 3h0r s GLU 80 Cb 0.00 -2.30 -0.11 0.00 -1.78 0.00 0.00 34.13 29.93 3h0r s GLU 80 CO 0.00 0.45 1.55 1.63 -0.49 0.00 0.00 175.26 178.40 3h0r n LYS 81 N -0.11 2.67 -3.95 1.61 5.02 -1.26 -1.83 118.16 120.31 3h0r n LYS 81 Ca -0.10 0.95 -0.31 0.00 -2.02 0.00 0.00 58.31 56.83 3h0r n LYS 81 Cb 0.55 -2.70 -0.15 0.00 -0.02 0.00 0.00 35.03 32.71 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 -0.41 1.85 -0.13 -0.18 2.01 -0.68 -4.87 115.64 113.22 3h0r s THR 82 Ca 0.60 -1.87 0.22 0.00 0.31 0.00 0.00 61.69 60.95 3h0r s THR 82 Cb -0.49 -2.27 -0.18 0.00 0.01 0.00 0.00 72.50 69.56 3h0r s THR 82 CO 0.54 -0.46 0.73 0.35 -0.69 0.00 0.00 174.62 175.09 3h0r n THR 83 N 4.47 0.38 -2.39 -0.82 -2.24 -1.23 -4.66 114.28 107.79 3h0r n THR 83 Ca -0.02 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 3h0r n THR 83 Cb 0.42 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.15 -1.09 -2.38 0.00 0.00 -1.26 -1.34 120.51 112.30 3h0r n ALA 85 Ca -0.11 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 3h0r n ALA 85 Cb 0.57 -3.51 -0.15 0.00 0.00 0.00 0.00 19.45 16.36 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 -2.85 2.87 0.43 0.00 0.15 1.00 -1.38 113.70 113.91 3h0r s SER 86 Ca 0.44 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.67 3h0r s SER 86 Cb -0.22 -0.28 0.92 0.00 -1.71 0.00 0.00 66.02 64.73 3h0r s SER 86 CO 0.54 0.26 2.07 0.11 1.20 0.00 0.00 173.24 177.42 3h0r h LYS 87 N 5.16 0.45 0.00 5.44 1.79 -1.84 -0.68 116.57 126.89 3h0r h LYS 87 Ca -0.43 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3h0r h LYS 87 Cb 1.14 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3h0r h LYS 87 CO 0.45 0.30 0.00 1.51 -1.08 0.00 0.00 179.45 180.63 3h0r n ILE 88 N -4.48 0.75 -0.81 1.86 3.06 -0.94 -3.08 119.36 115.72 3h0r n ILE 88 Ca 0.02 0.09 0.01 0.00 -2.50 0.00 0.00 62.75 60.37 3h0r n ILE 88 Cb 0.07 -0.99 0.02 0.00 0.54 0.00 0.00 39.64 39.28 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 -2.19 0.96 -4.77 9.51 4.32 -0.88 -1.11 117.00 122.85 3h0r n LEU 89 Ca 0.03 -1.19 -0.40 0.00 -0.02 0.00 0.00 56.01 54.43 3h0r n LEU 89 Cb 0.28 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.00 3h0r n LEU 89 CO 0.22 0.29 0.90 -1.83 -1.22 0.00 0.00 177.39 175.75 3h0r s GLU 90 N -0.69 4.42 0.00 3.23 -1.05 -0.31 -2.25 118.70 122.06 3h0r s GLU 90 Ca 0.04 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.89 3h0r s GLU 90 Cb 0.03 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 3h0r s GLU 90 CO 0.00 -0.06 0.00 0.09 0.95 0.00 0.00 175.26 176.24 3h0r n ASN 91 N 0.86 -0.38 -4.63 0.83 3.02 -1.26 -4.67 115.26 109.03 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 0.43 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 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 -3.61 2.74 -0.10 3.10 5.36 -0.95 -4.90 117.98 119.62 3h0r s PHE 92 Ca 0.00 0.88 -0.19 0.00 -0.96 0.00 0.00 56.93 56.66 3h0r s PHE 92 Cb 0.00 -3.97 -0.04 0.00 -0.34 0.00 0.00 43.02 38.67 3h0r s PHE 92 CO 0.00 -1.55 0.53 0.08 -1.46 0.00 0.00 175.22 172.83 3h0r s VAL 93 N 4.38 5.15 -0.07 3.12 1.01 -1.26 -1.69 120.40 131.04 3h0r s VAL 93 Ca 0.54 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 3h0r s VAL 93 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3h0r s VAL 93 CO 0.24 0.31 1.27 0.00 0.00 0.00 0.00 175.10 176.92 3h0r s ALA 94 N 0.63 3.55 -1.33 5.51 0.00 -0.76 -4.90 121.76 124.46 3h0r s ALA 94 Ca 0.29 0.65 0.29 0.00 0.00 0.00 0.00 51.96 53.19 3h0r s ALA 94 Cb -0.16 -3.56 1.34 0.00 0.00 0.00 0.00 23.12 20.75 3h0r s ALA 94 CO 0.12 -0.90 1.96 -2.30 0.00 0.00 0.00 175.76 174.64 3h0r n PRO 95 N 5.59 0.34 -3.70 0.00 -0.02 -1.26 -0.66 135.00 135.29 3h0r n PRO 95 Ca 0.12 -0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 3h0r n PRO 95 Cb 0.45 -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 -2.69 -0.21 -0.07 6.00 1.13 -1.26 -4.93 117.35 115.33 3h0r s TYR 96 Ca 0.24 -0.13 -0.21 0.00 -1.41 0.00 0.00 57.07 55.56 3h0r s TYR 96 Cb 0.20 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.48 3h0r s TYR 96 CO 0.49 -0.95 0.59 -0.51 -2.51 0.00 0.00 175.55 172.66 3h0r s ASP 97 N -2.86 6.87 0.63 -0.18 1.01 -1.26 -3.47 116.67 117.41 3h0r s ASP 97 Ca 0.08 1.04 -0.17 0.00 0.71 0.00 0.00 52.55 54.20 3h0r s ASP 97 Cb -0.02 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 3h0r s ASP 97 CO -0.03 -0.01 0.80 0.00 0.21 0.00 0.00 175.17 176.13 3h0r n ALA 98 N 3.44 -0.43 -0.37 5.23 0.00 -0.19 -4.78 120.51 123.42 3h0r n ALA 98 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.36 3h0r n ALA 98 Cb 0.51 -2.01 0.20 0.00 0.00 0.00 0.00 19.45 18.15 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 0.17 1.03 -0.86 0.00 2.02 -1.41 -1.48 112.91 112.38 3h0r h THR 99 Ca -0.47 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3h0r h THR 99 Cb 1.37 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3h0r h THR 99 CO 0.48 0.20 0.43 -0.37 0.37 0.00 0.00 175.52 176.63 3h0r h VAL 100 N 1.11 1.26 -0.55 3.16 -1.51 -1.86 -1.32 116.25 116.54 3h0r h VAL 100 Ca 0.45 -0.71 -0.10 0.00 -1.23 0.00 0.00 66.70 65.11 3h0r h VAL 100 Cb 0.28 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 3h0r h VAL 100 CO -0.21 0.31 -0.06 0.40 -1.23 0.00 0.00 177.57 176.78 3h0r h ILE 101 N 1.22 1.27 -0.71 7.19 1.08 -1.62 0.08 117.51 126.02 3h0r h ILE 101 Ca 0.30 -1.21 0.05 0.00 -0.39 0.00 0.00 64.86 63.62 3h0r h ILE 101 Cb 0.10 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 3h0r h ILE 101 CO -0.04 0.43 0.41 -0.08 -0.69 0.00 0.00 178.15 178.18 3h0r h GLU 102 N 0.89 0.75 -0.01 2.37 4.81 -0.87 -0.57 114.58 121.94 3h0r h GLU 102 Ca 0.15 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3h0r h GLU 102 Cb 0.62 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3h0r h GLU 102 CO 0.04 0.49 -0.65 0.00 -0.73 0.00 0.00 179.01 178.16 3h0r h ARG 103 N 0.77 0.06 -0.13 1.92 3.08 -0.81 -0.87 114.38 118.40 3h0r h ARG 103 Ca 0.31 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 3h0r h ARG 103 Cb 0.15 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h0r h ARG 103 CO -0.17 0.69 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.72 3h0r h LEU 104 N 0.04 0.78 -0.53 3.04 3.38 -0.74 -2.73 115.31 118.56 3h0r h LEU 104 Ca -0.01 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3h0r h LEU 104 Cb 1.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h0r h LEU 104 CO 0.09 1.29 0.28 0.11 0.09 0.00 0.00 178.44 180.31 3h0r h LYS 105 N 0.32 0.75 0.00 1.13 1.57 -0.98 -1.10 116.57 118.26 3h0r h LYS 105 Ca -0.04 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3h0r h LYS 105 Cb 1.28 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3h0r h LYS 105 CO 0.13 0.58 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.29 3h0r h LYS 106 N 0.71 0.00 -0.01 3.15 3.64 -1.20 -2.27 116.57 120.59 3h0r h LYS 106 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3h0r h LYS 106 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3h0r h LYS 106 CO -0.03 0.09 -0.05 0.00 -2.27 0.00 0.00 179.45 177.19 3h0r n ALA 107 N -2.25 2.68 -0.46 5.00 0.00 -0.53 -4.91 120.51 120.04 3h0r n ALA 107 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h0r n ALA 107 Cb 0.21 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.18 0.75 3.68 0.00 0.00 -0.85 -0.33 105.19 109.61 3h0r n GLY 108 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.93 1.44 -0.20 4.61 0.00 -0.55 -4.13 121.76 119.99 3h0r s ALA 109 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 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 -2.63 -0.04 -0.51 0.00 0.00 0.00 175.76 172.58 3h0r s LEU 110 N -6.49 1.89 -0.21 0.00 1.43 0.26 -4.59 118.68 110.97 3h0r s LEU 110 Ca 0.65 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3h0r s LEU 110 Cb -0.21 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3h0r s LEU 110 CO 0.58 -0.22 1.78 -0.63 0.23 0.00 0.00 176.35 178.09 3h0r s ILE 111 N 1.58 3.48 -2.64 -0.59 1.09 -1.26 -1.36 121.20 121.50 3h0r s ILE 111 Ca -0.02 0.53 0.21 0.00 -1.10 0.00 0.00 60.65 60.27 3h0r s ILE 111 Cb -0.17 -3.52 0.16 0.00 -1.06 0.00 0.00 42.46 37.88 3h0r s ILE 111 CO -0.07 -0.24 1.17 1.33 -0.10 0.00 0.00 174.94 177.03 3h0r n VAL 112 N 6.68 0.00 0.00 2.92 0.24 -0.50 -4.59 118.33 123.08 3h0r n VAL 112 Ca 0.21 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3h0r n VAL 112 Cb 0.45 1.44 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3h0r n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h0r n GLY 113 N 1.20 1.78 3.40 7.63 0.00 -1.26 -0.14 105.19 117.80 3h0r n GLY 113 Ca 0.12 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 3.46 0.02 1.61 -0.14 0.17 -1.46 119.74 121.40 3h0r s LYS 114 Ca 0.00 -0.64 -0.01 0.00 -1.36 0.00 0.00 55.97 53.97 3h0r s LYS 114 Cb 0.00 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 3h0r s LYS 114 CO 0.00 0.17 0.15 0.95 -0.76 0.00 0.00 175.35 175.86 3h0r s THR 115 N 0.48 5.10 0.75 2.17 -4.23 0.46 0.01 115.64 120.38 3h0r s THR 115 Ca -0.07 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 3h0r s THR 115 Cb -0.15 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.33 3h0r s THR 115 CO 0.04 0.26 1.16 0.21 -0.54 0.00 0.00 174.62 175.74 3h0r s ASN 116 N -2.09 4.24 0.19 3.99 2.47 0.17 -2.17 114.94 121.74 3h0r s ASN 116 Ca 0.28 2.17 -0.20 0.00 0.42 0.00 0.00 52.86 55.54 3h0r s ASN 116 Cb -0.12 -2.57 0.04 0.00 -1.45 0.00 0.00 41.25 37.15 3h0r s ASN 116 CO 0.20 -2.22 0.56 -1.48 -3.72 0.00 0.00 177.10 170.44 3h0r s LEU 117 N -5.42 -0.16 0.50 3.21 2.34 -1.26 -2.18 118.68 115.70 3h0r s LEU 117 Ca 0.70 -0.31 -0.23 0.00 0.06 0.00 0.00 54.13 54.35 3h0r s LEU 117 Cb -0.24 2.35 -0.06 0.00 -0.56 0.00 0.00 46.19 47.67 3h0r s LEU 117 CO 0.48 -1.04 1.36 -1.81 -1.06 0.00 0.00 176.35 174.28 3h0r s ASP 118 N -2.83 5.60 -0.12 1.48 1.01 -1.13 -3.38 116.67 117.30 3h0r s ASP 118 Ca 0.06 2.76 -0.34 0.00 0.71 0.00 0.00 52.55 55.74 3h0r s ASP 118 Cb -0.01 -2.64 -0.12 0.00 1.01 0.00 0.00 42.92 41.16 3h0r s ASP 118 CO -0.06 -1.34 1.92 1.21 0.21 0.00 0.00 175.17 177.10 3h0r n GLU 119 N -0.65 2.05 -2.32 8.23 2.13 -0.49 -0.53 120.64 129.07 3h0r n GLU 119 Ca 0.08 0.73 -0.18 0.00 0.66 0.00 0.00 57.16 58.45 3h0r n GLU 119 Cb 0.44 -2.63 -0.01 0.00 0.27 0.00 0.00 31.44 29.51 3h0r n GLU 119 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3h0r n PHE 120 N 7.06 -0.84 -1.60 4.31 3.72 -0.45 -2.54 117.46 127.12 3h0r n PHE 120 Ca 0.24 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3h0r n PHE 120 Cb 0.29 -3.60 -0.05 0.00 -0.94 0.00 0.00 39.48 35.18 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 -1.76 -0.26 -3.65 4.37 0.00 0.31 -4.82 120.51 114.71 3h0r n ALA 121 Ca -0.22 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3h0r n ALA 121 Cb 0.66 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.53 2.25 0.00 0.00 -1.94 -1.05 -4.66 119.30 110.36 3h0r s MET 122 Ca 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 3h0r s MET 122 Cb 0.00 -3.73 0.00 0.00 2.01 0.00 0.00 34.83 33.11 3h0r s MET 122 CO 0.00 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.31 3h0r n GLY 123 N 4.75 0.99 1.26 -0.03 0.00 -1.26 -4.51 105.19 106.38 3h0r n GLY 123 Ca -0.05 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.42 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 1.40 0.00 1.61 7.64 -1.26 -2.55 113.62 120.46 3h0r n SER 124 Ca 0.00 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.15 3h0r n SER 124 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.17 0.00 0.00 6.43 3.41 -1.23 -2.53 113.62 119.53 3h0r n SER 125 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3h0r n SER 125 Cb 0.96 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 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 -0.01 6.66 -1.04 -1.16 -4.19 114.28 114.54 3h0r n THR 126 Ca 0.00 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.23 3h0r n THR 126 Cb 0.00 -0.02 0.71 0.00 -1.82 0.00 0.00 70.33 69.20 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 1.60 0.00 -0.30 -2.82 5.08 -1.89 -1.82 114.58 114.44 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 -4.23 0.33 -1.67 4.33 4.01 -1.26 -4.75 117.16 113.92 3h0r n TYR 128 Ca 0.11 -0.15 -0.46 0.00 -0.16 0.00 0.00 57.90 57.23 3h0r n TYR 128 Cb 0.67 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.15 3.10 0.00 7.72 2.88 -0.68 -1.39 113.62 125.39 3h0r n SER 129 Ca 0.07 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.77 3h0r n SER 129 Cb 0.22 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 62.59 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 3.45 1.71 -0.09 -1.46 0.00 -0.48 -3.98 120.51 119.66 3h0r n ALA 130 Ca 0.17 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 3h0r n ALA 130 Cb 0.29 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.47 0.00 -3.60 0.00 3.72 -1.26 -4.92 117.46 109.92 3h0r n PHE 131 Ca 0.04 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.37 3h0r n PHE 131 Cb 0.17 -0.65 -0.04 0.00 -0.94 0.00 0.00 39.48 38.02 3h0r n PHE 131 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3h0r s PHE 132 N -2.52 -0.22 0.36 1.38 -0.71 -1.26 -5.16 117.98 109.85 3h0r s PHE 132 Ca -0.28 0.35 -0.26 0.00 -1.04 0.00 0.00 56.93 55.70 3h0r s PHE 132 Cb 0.09 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.28 3h0r s PHE 132 CO 0.37 -0.22 1.13 -1.25 -1.34 0.00 0.00 175.22 173.91 3h0r s PRO 133 N -1.27 4.27 0.28 1.99 0.04 -1.26 -4.67 135.00 134.37 3h0r s PRO 133 Ca 0.04 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3h0r s PRO 133 Cb -0.01 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3h0r s PRO 133 CO -0.03 -0.11 0.71 0.99 0.04 0.00 0.00 177.00 178.60 3h0r s THR 134 N -1.39 4.67 0.02 1.26 2.01 -1.26 -4.82 115.64 116.14 3h0r s THR 134 Ca 0.53 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.59 3h0r s THR 134 Cb -0.29 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3h0r s THR 134 CO 0.37 -0.03 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.62 3h0r s LYS 135 N -2.61 2.36 -0.11 4.92 1.02 0.43 -4.38 119.74 121.37 3h0r s LYS 135 Ca 0.49 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 3h0r s LYS 135 Cb -0.12 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 3h0r s LYS 135 CO 0.19 0.57 1.73 1.21 -0.92 0.00 0.00 175.35 178.13 3h0r s ASN 136 N -1.49 6.44 0.00 2.83 3.84 0.18 -4.73 114.94 122.00 3h0r s ASN 136 Ca 0.17 2.05 0.03 0.00 0.21 0.00 0.00 52.86 55.32 3h0r s ASN 136 Cb -0.11 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.21 3h0r s ASN 136 CO 0.07 -1.14 1.05 -0.81 -2.79 0.00 0.00 177.10 173.48 3h0r n PRO 137 N 7.50 0.02 0.00 0.43 -0.04 -1.26 -1.20 135.00 140.44 3h0r n PRO 137 Ca 0.19 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 3h0r n PRO 137 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.42 0.01 -3.15 0.54 7.02 -1.26 -4.07 117.44 115.11 3h0r n TRP 138 Ca 0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.55 3h0r n TRP 138 Cb 0.04 -0.10 -0.00 0.00 -2.42 0.00 0.00 31.31 28.82 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 -3.08 -0.59 0.00 -0.99 -1.08 -0.34 -4.90 116.67 105.69 3h0r s ASP 139 Ca 0.08 0.13 0.17 0.00 -0.52 0.00 0.00 52.55 52.41 3h0r s ASP 139 Cb 0.16 1.40 1.02 0.00 -1.46 0.00 0.00 42.92 44.04 3h0r s ASP 139 CO 0.82 -0.11 1.43 0.18 0.52 0.00 0.00 175.17 178.01 3h0r n LEU 140 N 5.23 0.00 -0.02 -1.34 4.77 -0.96 0.21 117.00 124.90 3h0r n LEU 140 Ca 0.05 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3h0r n LEU 140 Cb 0.56 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.27 3h0r n LEU 140 CO -0.14 0.00 0.91 -0.62 -1.33 0.00 0.00 177.39 176.22 3h0r n GLU 141 N -0.97 0.22 -4.37 3.23 1.02 -1.26 -4.74 120.64 113.77 3h0r n GLU 141 Ca 0.13 -0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 3h0r n GLU 141 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.80 1.77 0.36 3.49 0.52 0.13 -3.28 118.95 119.13 3h0r s ARG 142 Ca 0.20 -1.43 -0.26 0.00 -0.52 0.00 0.00 55.73 53.73 3h0r s ARG 142 Cb 0.19 -1.98 -0.09 0.00 0.52 0.00 0.00 34.95 33.59 3h0r s ARG 142 CO 0.52 0.41 1.03 0.08 0.02 0.00 0.00 175.30 177.36 3h0r s VAL 143 N -1.73 3.79 -2.34 3.52 1.01 -0.58 -0.65 120.40 123.41 3h0r s VAL 143 Ca 0.23 1.48 0.29 0.00 0.00 0.00 0.00 61.98 63.98 3h0r s VAL 143 Cb -0.08 -3.82 0.64 0.00 0.00 0.00 0.00 36.38 33.12 3h0r s VAL 143 CO 0.12 0.11 1.87 -0.81 0.00 0.00 0.00 175.10 176.40 3h0r n PRO 144 N 0.34 1.47 0.00 2.72 -0.04 -1.26 -4.44 135.00 133.79 3h0r n PRO 144 Ca 0.03 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 3h0r n PRO 144 Cb 0.49 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.12 -3.50 3.65 0.55 0.00 -1.26 -4.35 105.19 101.40 3h0r n GLY 145 Ca 0.20 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.70 -0.33 0.23 -0.02 0.00 -1.05 -2.96 107.32 102.48 3h0r s GLY 146 Ca 0.00 0.34 0.18 0.00 0.00 0.00 0.00 44.72 45.24 3h0r s GLY 146 CO 0.00 0.10 1.21 1.48 0.00 0.00 0.00 173.10 175.89 3h0r h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.58 -3.39 113.55 116.85 3h0r h SER 147 Ca -0.24 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 3h0r h SER 147 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3h0r h SER 147 CO 0.28 0.35 -0.02 -1.20 -0.87 0.00 0.00 176.83 175.37 3h0r n SER 148 N -3.00 3.19 -0.09 4.97 7.64 -0.95 -2.82 113.62 122.55 3h0r n SER 148 Ca -0.01 -1.99 -0.07 0.00 1.01 0.00 0.00 58.87 57.81 3h0r n SER 148 Cb 0.70 -0.78 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 4.57 0.40 1.73 0.23 0.00 -1.69 -2.50 103.07 105.82 3h0r h GLY 149 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3h0r h GLY 149 CO 0.20 0.02 -0.30 -1.33 0.00 0.00 0.00 176.54 175.14 3h0r h GLY 150 N 0.24 0.34 1.67 4.60 0.00 -1.65 -1.54 103.07 106.73 3h0r h GLY 150 Ca 0.15 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 3h0r h GLY 150 CO -0.16 0.26 -0.55 1.76 0.00 0.00 0.00 176.54 177.85 3h0r h SER 151 N 0.28 0.39 0.15 0.19 0.02 -1.67 -1.89 113.55 111.01 3h0r h SER 151 Ca 0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3h0r h SER 151 Cb 0.67 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3h0r h SER 151 CO 0.05 0.86 -0.07 0.00 -1.14 0.00 0.00 176.83 176.53 3h0r h ALA 152 N 1.15 -0.20 -0.33 3.77 0.00 -1.32 -3.14 119.26 119.19 3h0r h ALA 152 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h0r h ALA 152 Cb 1.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3h0r h ALA 152 CO 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.05 3h0r h ALA 153 N -0.03 0.34 0.00 0.00 0.00 -1.25 0.52 119.26 118.84 3h0r h ALA 153 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h0r h ALA 153 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h0r h ALA 153 CO 0.03 -0.35 -0.25 0.66 0.00 0.00 0.00 179.25 179.34 3h0r h SER 154 N 0.17 0.00 0.70 0.00 4.64 -1.47 -0.07 113.55 117.52 3h0r h SER 154 Ca 0.16 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.27 3h0r h SER 154 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3h0r h SER 154 CO -0.21 0.25 -0.93 0.58 -0.87 0.00 0.00 176.83 175.65 3h0r h VAL 155 N 0.00 1.55 0.25 0.95 2.07 -1.31 -0.88 116.25 118.88 3h0r h VAL 155 Ca -0.00 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 64.67 3h0r h VAL 155 Cb 0.47 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3h0r h VAL 155 CO 0.03 0.82 -0.12 0.00 0.02 0.00 0.00 177.57 178.32 3h0r h ALA 156 N 0.97 -0.33 0.00 1.67 0.00 0.38 -2.92 119.26 119.03 3h0r h ALA 156 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h0r h ALA 156 Cb 1.59 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3h0r h ALA 156 CO 0.14 -0.63 0.00 1.33 0.00 0.00 0.00 179.25 180.09 3h0r n VAL 157 N -5.18 0.56 -2.52 0.00 0.24 -0.17 -4.45 118.33 106.81 3h0r n VAL 157 Ca -0.09 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 3h0r n VAL 157 Cb 0.19 -0.74 0.01 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.04 -1.98 0.26 1.34 4.77 -0.58 -4.89 117.00 113.89 3h0r n LEU 158 Ca 0.05 -0.11 0.17 0.00 -0.03 0.00 0.00 56.01 56.10 3h0r n LEU 158 Cb 0.34 -2.11 0.80 0.00 -2.33 0.00 0.00 43.42 40.12 3h0r n LEU 158 CO 0.26 0.01 1.01 0.77 -1.33 0.00 0.00 177.39 178.11 3h0r h SER 159 N -0.49 0.00 -4.24 -1.43 4.64 -1.50 -3.43 113.55 107.10 3h0r h SER 159 Ca -0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.84 3h0r h SER 159 Cb 1.24 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.10 3h0r h SER 159 CO 0.38 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.98 3h0r s ALA 160 N -3.73 -0.70 0.19 5.18 0.00 -0.96 -4.70 121.76 117.04 3h0r s ALA 160 Ca -0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3h0r s ALA 160 Cb 0.10 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.02 3h0r s ALA 160 CO 0.44 -0.18 1.44 -1.00 0.00 0.00 0.00 175.76 176.47 3h0r h PRO 161 N 5.08 0.27 -3.91 0.00 0.13 -1.83 -3.33 132.00 128.40 3h0r h PRO 161 Ca -0.27 -0.24 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 3h0r h PRO 161 Cb 1.19 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 3h0r h PRO 161 CO 0.35 0.91 -0.54 0.54 -0.23 0.00 0.00 178.00 179.02 3h0r s VAL 162 N -3.47 0.15 0.03 1.56 0.11 -1.26 -4.25 120.40 113.27 3h0r s VAL 162 Ca -0.04 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.63 3h0r s VAL 162 Cb 0.11 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 3h0r s VAL 162 CO 0.82 -0.70 0.26 -0.55 -3.33 0.00 0.00 175.10 171.61 3h0r s SER 163 N -2.38 -0.07 -0.12 3.54 0.15 -0.29 -2.82 113.70 111.71 3h0r s SER 163 Ca -0.01 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 3h0r s SER 163 Cb 0.01 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3h0r s SER 163 CO -0.07 -0.56 -0.10 -0.76 1.20 0.00 0.00 173.24 172.96 3h0r s LEU 164 N -1.93 2.94 0.00 3.45 1.02 -0.82 -1.38 118.68 121.97 3h0r s LEU 164 Ca -0.07 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3h0r s LEU 164 Cb -0.02 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.52 3h0r s LEU 164 CO -0.02 0.22 0.02 0.61 0.02 0.00 0.00 176.35 177.20 3h0r n GLY 165 N 3.18 3.95 3.22 -3.19 0.00 -0.76 -2.01 105.19 109.59 3h0r n GLY 165 Ca -0.18 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.53 1.71 -0.17 1.61 1.04 -1.26 -1.66 113.70 113.45 3h0r s SER 166 Ca 0.03 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 3h0r s SER 166 Cb 0.00 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.16 3h0r s SER 166 CO 0.02 -0.28 0.04 -0.62 0.98 0.00 0.00 173.24 173.39 3h0r s ASP 167 N -2.82 2.57 -0.18 7.02 -1.08 0.20 -3.04 116.67 119.34 3h0r s ASP 167 Ca 0.12 -0.65 0.11 0.00 -0.52 0.00 0.00 52.55 51.60 3h0r s ASP 167 Cb -0.00 -0.50 -0.19 0.00 -1.46 0.00 0.00 42.92 40.77 3h0r s ASP 167 CO 0.01 -0.29 -0.02 0.41 0.52 0.00 0.00 175.17 175.79 3h0r n THR 168 N 5.11 1.18 -2.10 1.71 -1.04 -1.26 -2.02 114.28 115.86 3h0r n THR 168 Ca -0.08 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.05 61.26 3h0r n THR 168 Cb 0.48 -0.78 -0.04 0.00 -1.82 0.00 0.00 70.33 68.17 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 2.12 0.68 0.00 3.41 0.00 -1.26 -4.63 105.19 105.51 3h0r n GLY 169 Ca -0.31 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.10 0.81 0.00 -0.02 0.00 -1.26 -3.32 105.19 101.49 3h0r n GLY 170 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.10 113.62 120.39 3h0r n SER 171 Ca 0.00 0.26 -0.24 0.00 1.01 0.00 0.00 58.87 59.90 3h0r n SER 171 Cb 0.00 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.38 1.52 -0.07 0.44 5.41 -1.17 -2.25 119.36 121.87 3h0r n ILE 172 Ca 0.06 -0.22 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 3h0r n ILE 172 Cb 0.15 -2.00 -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 0.33 -0.30 0.38 3.08 -1.65 -1.06 114.38 114.17 3h0r h ARG 173 Ca -0.51 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.44 3h0r h ARG 173 Cb 1.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3h0r h ARG 173 CO -0.31 0.31 -0.05 0.37 -1.07 0.00 0.00 179.97 179.22 3h0r h GLN 174 N 0.27 0.57 -0.97 0.04 -0.00 -1.42 0.13 115.11 113.73 3h0r h GLN 174 Ca 0.08 -0.21 0.04 0.00 -0.00 0.00 0.00 58.65 58.57 3h0r h GLN 174 Cb 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.46 3h0r h GLN 174 CO -0.01 0.75 0.64 -1.35 0.00 0.00 0.00 178.83 178.85 3h0r h PRO 175 N 0.34 1.17 -0.88 -2.39 0.11 -1.75 -0.60 132.00 128.00 3h0r h PRO 175 Ca 0.08 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3h0r h PRO 175 Cb 0.53 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 3h0r h PRO 175 CO 0.03 0.77 0.49 0.00 -0.21 0.00 0.00 178.00 179.08 3h0r h ALA 176 N 1.44 1.21 0.16 -0.75 0.00 -0.55 -0.77 119.26 120.00 3h0r h ALA 176 Ca 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h0r h ALA 176 Cb 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3h0r h ALA 176 CO -0.13 0.64 -0.07 1.03 0.00 0.00 0.00 179.25 180.72 3h0r h SER 177 N 1.22 -0.18 0.17 0.00 0.87 -0.34 -0.60 113.55 114.70 3h0r h SER 177 Ca 0.31 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 3h0r h SER 177 Cb 0.01 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3h0r h SER 177 CO -0.05 0.12 -0.15 -0.26 -0.53 0.00 0.00 176.83 175.95 3h0r h PHE 178 N -0.48 0.00 -0.03 2.24 -1.00 -0.99 -2.87 116.94 113.82 3h0r h PHE 178 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3h0r h PHE 178 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 3h0r h PHE 178 CO 0.01 0.15 -0.13 0.00 -1.61 0.00 0.00 178.31 176.74 3h0r n GLY 180 N 1.37 0.07 3.11 0.00 0.00 -0.55 -4.75 105.19 104.43 3h0r n GLY 180 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3h0r n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0r s VAL 181 N -3.18 0.20 0.16 1.61 0.11 -0.34 -4.88 120.40 114.08 3h0r s VAL 181 Ca 0.09 -1.67 -0.30 0.00 -2.93 0.00 0.00 61.98 57.17 3h0r s VAL 181 Cb -0.04 -1.44 -0.07 0.00 -1.53 0.00 0.00 36.38 33.30 3h0r s VAL 181 CO 0.38 -0.92 1.03 -0.63 -3.33 0.00 0.00 175.10 171.62 3h0r s ILE 182 N -3.82 4.13 -0.14 7.04 1.01 0.50 -4.32 121.20 125.61 3h0r s ILE 182 Ca 0.06 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.50 3h0r s ILE 182 Cb 0.07 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.42 3h0r s ILE 182 CO -0.10 0.32 0.30 -0.83 0.00 0.00 0.00 174.94 174.64 3h0r s GLY 183 N -0.22 -0.18 -0.08 6.18 0.00 -0.74 -0.77 107.32 111.52 3h0r s GLY 183 Ca 0.47 1.11 0.04 0.00 0.00 0.00 0.00 44.72 46.34 3h0r s GLY 183 CO 0.33 1.84 -0.20 -1.50 0.00 0.00 0.00 173.10 173.57 3h0r s ILE 184 N 2.06 2.53 -0.24 0.90 2.07 -0.36 -1.10 121.20 127.06 3h0r s ILE 184 Ca -0.03 -0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 58.27 3h0r s ILE 184 Cb -0.11 -1.98 -0.01 0.00 0.13 0.00 0.00 42.46 40.48 3h0r s ILE 184 CO -0.10 0.56 0.02 -0.75 -1.91 0.00 0.00 174.94 172.76 3h0r s LYS 185 N -0.13 3.46 1.04 3.50 2.20 -0.50 -1.86 119.74 127.46 3h0r s LYS 185 Ca -0.03 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 54.81 3h0r s LYS 185 Cb -0.14 -3.17 0.24 0.00 -1.51 0.00 0.00 37.83 33.25 3h0r s LYS 185 CO 0.04 -0.22 1.31 -1.25 -0.36 0.00 0.00 175.35 174.87 3h0r s PRO 186 N 1.54 -0.01 0.48 4.03 0.04 -1.26 -1.00 135.00 138.81 3h0r s PRO 186 Ca 0.06 -0.47 -0.24 0.00 0.04 0.00 0.00 61.00 60.39 3h0r s PRO 186 Cb -0.15 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3h0r s PRO 186 CO 0.00 -2.84 1.27 2.41 0.04 0.00 0.00 177.00 177.88 3h0r n THR 187 N -4.06 3.05 -1.72 1.26 -1.04 -1.26 -4.29 114.28 106.21 3h0r n THR 187 Ca 0.17 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 3h0r n THR 187 Cb 0.59 -1.57 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 3h0r n THR 187 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3h0r s TYR 188 N -1.26 1.59 0.00 -1.42 5.04 -0.72 -1.35 117.35 119.23 3h0r s TYR 188 Ca 0.65 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 3h0r s TYR 188 Cb -0.47 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 37.65 3h0r s TYR 188 CO 0.54 -5.18 0.00 0.41 -1.34 0.00 0.00 175.55 169.98 3h0r n GLY 189 N 4.41 1.48 0.13 8.97 0.00 -1.26 -4.91 105.19 114.00 3h0r n GLY 189 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 2.14 0.00 -5.30 1.61 2.43 -1.54 -0.70 114.38 113.00 3h0r h ARG 190 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 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 0.66 -0.84 0.08 -1.51 0.00 0.00 179.97 178.36 3h0r s VAL 191 N -3.42 1.41 0.46 0.20 1.01 -1.26 -0.53 120.40 118.27 3h0r s VAL 191 Ca -0.01 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 3h0r s VAL 191 Cb 0.12 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 3h0r s VAL 191 CO 0.76 0.41 1.16 -0.24 0.00 0.00 0.00 175.10 177.19 3h0r n SER 192 N 3.12 1.95 -1.24 3.32 2.88 -1.26 -4.74 113.62 117.65 3h0r n SER 192 Ca -0.18 1.03 0.09 0.00 -1.33 0.00 0.00 58.87 58.48 3h0r n SER 192 Cb 0.53 -1.45 0.29 0.00 -0.75 0.00 0.00 64.21 62.83 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 -0.20 3.13 -2.30 -1.46 1.74 -1.26 -4.73 116.66 111.58 3h0r n ARG 193 Ca 0.09 -2.62 -0.43 0.00 -0.77 0.00 0.00 57.85 54.12 3h0r n ARG 193 Cb 0.41 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.42 2.40 0.00 -1.55 5.04 -1.26 -2.15 117.35 118.41 3h0r s TYR 194 Ca 0.43 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3h0r s TYR 194 Cb 0.26 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.49 3h0r s TYR 194 CO 0.25 -2.15 0.00 0.41 -1.34 0.00 0.00 175.55 172.71 3h0r n GLY 195 N 4.73 0.77 3.62 8.97 0.00 -1.26 -0.99 105.19 121.03 3h0r n GLY 195 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 4.06 -0.05 0.99 2.96 -0.91 -1.19 118.68 124.53 3h0r s LEU 196 Ca 0.00 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 3h0r s LEU 196 Cb 0.00 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 3h0r s LEU 196 CO 0.00 -0.18 2.03 -0.69 -1.32 0.00 0.00 176.35 176.19 3h0r s VAL 197 N 1.99 3.04 0.09 1.68 1.01 0.02 -4.88 120.40 123.35 3h0r s VAL 197 Ca 0.17 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3h0r s VAL 197 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 3h0r s VAL 197 CO 0.09 -0.01 1.43 0.00 0.00 0.00 0.00 175.10 176.61 3h0r s ALA 198 N 5.66 3.61 0.00 5.51 0.00 -1.26 -4.94 121.76 130.33 3h0r s ALA 198 Ca 0.92 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3h0r s ALA 198 Cb -0.39 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.16 3h0r s ALA 198 CO 0.39 -0.73 0.00 0.34 0.00 0.00 0.00 175.76 175.76 3h0r n PHE 199 N 4.41 0.00 -4.04 0.00 7.35 -1.26 -4.76 117.46 119.16 3h0r n PHE 199 Ca 0.12 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.49 3h0r n PHE 199 Cb 0.42 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.10 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 2.62 0.34 3.13 0.00 -1.26 -2.67 121.76 119.92 3h0r s ALA 200 Ca 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.22 3h0r s ALA 200 Cb 0.00 -1.66 0.61 0.00 0.00 0.00 0.00 23.12 22.07 3h0r s ALA 200 CO 0.00 -1.20 1.96 0.77 0.00 0.00 0.00 175.76 177.29 3h0r h SER 201 N 7.82 0.67 0.62 0.00 0.02 -1.93 0.66 113.55 121.42 3h0r h SER 201 Ca -0.20 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3h0r h SER 201 Cb 1.05 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3h0r h SER 201 CO 0.48 0.56 -0.05 -1.54 -1.14 0.00 0.00 176.83 175.14 3h0r n SER 202 N -4.39 0.11 -0.00 3.07 3.41 -1.26 -4.16 113.62 110.40 3h0r n SER 202 Ca 0.05 -0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3h0r n SER 202 Cb 0.11 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.28 0.35 -4.67 1.04 4.77 -0.65 -4.96 117.00 111.61 3h0r n LEU 203 Ca 0.12 -0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.65 3h0r n LEU 203 Cb 0.27 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3h0r n LEU 203 CO 0.25 0.08 1.00 0.47 -1.33 0.00 0.00 177.39 177.86 3h0r n ASP 204 N -2.09 2.70 -3.70 -1.43 8.00 0.13 -4.41 116.55 115.74 3h0r n ASP 204 Ca -0.01 1.14 -0.11 0.00 0.71 0.00 0.00 54.79 56.52 3h0r n ASP 204 Cb 0.53 -1.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.10 3h0r n ASP 204 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h0r s GLN 205 N -0.39 0.37 0.48 -1.24 -1.52 -0.86 -4.87 119.66 111.63 3h0r s GLN 205 Ca 0.68 0.74 -0.23 0.00 -1.95 0.00 0.00 55.36 54.60 3h0r s GLN 205 Cb -0.66 -0.02 -0.07 0.00 -0.22 0.00 0.00 33.01 32.04 3h0r s GLN 205 CO 0.50 -0.15 1.31 0.42 -0.25 0.00 0.00 175.29 177.11 3h0r s ILE 206 N 1.30 2.45 0.07 1.08 1.01 -1.26 -0.63 121.20 125.22 3h0r s ILE 206 Ca -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 3h0r s ILE 206 Cb -0.08 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3h0r s ILE 206 CO -0.11 0.02 0.11 0.61 0.00 0.00 0.00 174.94 175.56 3h0r n GLY 207 N 0.62 2.73 3.00 6.18 0.00 -0.66 -4.45 105.19 112.61 3h0r n GLY 207 Ca 0.07 -1.36 -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 -2.57 0.92 -0.06 1.61 1.01 -0.78 -1.83 120.40 118.71 3h0r s VAL 208 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3h0r s VAL 208 Cb -0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3h0r s VAL 208 CO 0.04 0.29 0.07 -0.36 0.00 0.00 0.00 175.10 175.14 3h0r s PHE 209 N 0.45 3.31 0.35 5.22 0.08 -0.48 -1.23 117.98 125.69 3h0r s PHE 209 Ca -0.08 0.27 -0.17 0.00 0.12 0.00 0.00 56.93 57.07 3h0r s PHE 209 Cb -0.12 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.58 3h0r s PHE 209 CO 0.02 0.56 0.79 0.20 -0.10 0.00 0.00 175.22 176.69 3h0r s GLY 210 N -1.29 0.26 -0.08 4.36 0.00 0.05 -1.14 107.32 109.50 3h0r s GLY 210 Ca 0.18 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.34 3h0r s GLY 210 CO 0.08 -0.14 0.06 0.54 0.00 0.00 0.00 173.10 173.63 3h0r n ARG 211 N -0.52 2.23 -4.85 2.90 1.74 -1.26 -0.37 116.66 116.53 3h0r n ARG 211 Ca -0.07 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 3h0r n ARG 211 Cb 0.60 -1.22 -0.14 0.00 -1.02 0.00 0.00 32.46 30.68 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 -2.28 2.14 0.51 5.56 0.52 -1.26 -4.44 118.95 119.70 3h0r s ARG 212 Ca -0.04 -0.92 0.15 0.00 -0.52 0.00 0.00 55.73 54.39 3h0r s ARG 212 Cb 0.03 -2.18 1.22 0.00 0.52 0.00 0.00 34.95 34.54 3h0r s ARG 212 CO 0.36 0.56 2.13 1.15 0.02 0.00 0.00 175.30 179.53 3h0r h THR 213 N 4.16 1.02 -0.44 0.02 2.02 -1.93 -2.28 112.91 115.48 3h0r h THR 213 Ca -0.46 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.52 3h0r h THR 213 Cb 1.15 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3h0r h THR 213 CO 0.48 0.02 -0.28 -0.33 0.37 0.00 0.00 175.52 175.77 3h0r h GLU 214 N 0.06 0.97 -0.02 6.66 5.08 -1.95 -1.22 114.58 124.16 3h0r h GLU 214 Ca 0.02 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3h0r h GLU 214 Cb 0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3h0r h GLU 214 CO -0.00 1.12 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.54 3h0r h ASP 215 N 0.81 -0.44 -0.46 1.42 3.32 -1.84 -1.67 116.42 117.56 3h0r h ASP 215 Ca 0.09 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3h0r h ASP 215 Cb 0.87 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3h0r h ASP 215 CO 0.08 -0.20 0.23 0.58 -1.72 0.00 0.00 179.24 178.20 3h0r h VAL 216 N -0.24 1.18 -0.09 -1.35 2.07 -1.41 -2.03 116.25 114.38 3h0r h VAL 216 Ca 0.06 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3h0r h VAL 216 Cb 0.31 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h0r h VAL 216 CO -0.16 0.20 -0.20 0.00 0.02 0.00 0.00 177.57 177.42 3h0r h ALA 217 N 1.07 1.49 0.07 1.67 0.00 -1.13 -1.53 119.26 120.90 3h0r h ALA 217 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h0r h ALA 217 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h0r h ALA 217 CO -0.02 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.81 3h0r h LEU 218 N 0.15 -0.08 -0.82 0.00 5.85 -1.03 -1.81 115.31 117.56 3h0r h LEU 218 Ca 0.03 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3h0r h LEU 218 Cb 0.45 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3h0r h LEU 218 CO 0.03 0.53 0.54 0.58 -0.34 0.00 0.00 178.44 179.78 3h0r h VAL 219 N -0.74 1.21 -0.82 1.05 2.07 -1.28 -1.48 116.25 116.26 3h0r h VAL 219 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3h0r h VAL 219 Cb 0.59 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3h0r h VAL 219 CO 0.02 0.21 0.50 0.25 0.02 0.00 0.00 177.57 178.56 3h0r h LEU 220 N 1.12 0.98 -0.49 2.57 5.85 -1.36 -2.76 115.31 121.22 3h0r h LEU 220 Ca 0.30 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3h0r h LEU 220 Cb -0.13 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 3h0r h LEU 220 CO -0.06 0.76 0.29 -0.08 -0.34 0.00 0.00 178.44 179.00 3h0r h GLU 221 N 1.13 0.56 -0.96 1.25 4.81 -0.45 -2.76 114.58 118.16 3h0r h GLU 221 Ca 0.29 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.64 3h0r h GLU 221 Cb -0.05 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.11 3h0r h GLU 221 CO -0.06 0.37 0.58 0.28 -0.73 0.00 0.00 179.01 179.45 3h0r h VAL 222 N 0.58 0.81 -0.00 0.32 2.07 -1.00 -3.24 116.25 115.78 3h0r h VAL 222 Ca 0.20 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3h0r h VAL 222 Cb 0.02 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 3h0r h VAL 222 CO -0.09 0.15 -0.34 2.30 0.02 0.00 0.00 177.57 179.61 3h0r n ILE 223 N -4.72 0.00 -1.99 4.57 -5.35 -1.07 -4.86 119.36 105.93 3h0r n ILE 223 Ca 0.20 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3h0r n ILE 223 Cb 0.44 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 3h0r n ILE 223 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3h0r n SER 224 N -0.71 0.00 -0.71 7.28 3.41 -1.06 -4.47 113.62 117.34 3h0r n SER 224 Ca 0.03 -0.93 0.09 0.00 -0.26 0.00 0.00 58.87 57.80 3h0r n SER 224 Cb 0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3h0r n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0r n GLY 225 N 5.00 -2.14 3.78 5.00 0.00 0.31 -4.93 105.19 112.21 3h0r n GLY 225 Ca 0.00 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 3h0r n GLY 225 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h0r s TRP 226 N -2.40 3.36 -0.11 1.61 -0.00 -1.25 -4.58 118.94 115.56 3h0r s TRP 226 Ca 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 56.10 57.77 3h0r s TRP 226 Cb 0.00 -3.11 0.02 0.00 -0.00 0.00 0.00 33.47 30.38 3h0r s TRP 226 CO 0.00 -0.50 -0.09 0.34 -0.00 0.00 0.00 176.95 176.70 3h0r s ASP 227 N -1.51 2.15 0.58 5.86 2.15 -1.26 -5.01 116.67 119.63 3h0r s ASP 227 Ca 0.55 -0.32 0.34 0.00 0.43 0.00 0.00 52.55 53.56 3h0r s ASP 227 Cb -0.22 -0.87 1.80 0.00 -0.30 0.00 0.00 42.92 43.32 3h0r s ASP 227 CO 0.28 -0.08 2.18 1.05 -0.17 0.00 0.00 175.17 178.43 3h0r h GLU 228 N 7.92 0.00 -0.06 4.34 4.11 -1.96 -2.14 114.58 126.79 3h0r h GLU 228 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3h0r h GLU 228 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3h0r h GLU 228 CO 0.43 0.05 0.00 1.63 0.07 0.00 0.00 179.01 181.19 3h0r n LYS 229 N -3.40 1.38 -3.75 1.06 5.02 -1.26 -4.68 118.16 112.53 3h0r n LYS 229 Ca -0.02 -0.57 -0.28 0.00 -2.02 0.00 0.00 58.31 55.42 3h0r n LYS 229 Cb 0.17 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.76 3.21 0.46 4.39 -1.08 -0.81 -4.80 116.67 116.29 3h0r s ASP 230 Ca 0.36 -1.01 0.15 0.00 -0.52 0.00 0.00 52.55 51.53 3h0r s ASP 230 Cb 0.18 -0.69 1.11 0.00 -1.46 0.00 0.00 42.92 42.06 3h0r s ASP 230 CO 0.29 -0.32 2.02 0.28 0.52 0.00 0.00 175.17 177.96 3h0r h SER 231 N 8.19 0.25 0.27 -0.34 0.02 -1.83 -2.20 113.55 117.92 3h0r h SER 231 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3h0r h SER 231 Cb 1.09 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3h0r h SER 231 CO 0.37 0.16 -0.37 0.35 -1.14 0.00 0.00 176.83 176.20 3h0r n THR 232 N -4.47 0.00 -2.46 -2.27 -2.24 -1.26 -4.87 114.28 96.71 3h0r n THR 232 Ca 0.06 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 3h0r n THR 232 Cb 0.32 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.65 7.24 0.17 3.42 1.04 -0.83 -4.43 113.70 117.67 3h0r s SER 233 Ca 0.20 2.24 -0.23 0.00 0.48 0.00 0.00 55.95 58.64 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 0.58 -0.19 0.73 0.00 0.98 0.00 0.00 173.24 175.35 3h0r s ALA 234 N -0.89 3.46 -1.37 5.32 0.00 -0.27 -4.77 121.76 123.23 3h0r s ALA 234 Ca 0.46 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3h0r s ALA 234 Cb -0.32 -2.87 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3h0r s ALA 234 CO 0.40 0.32 2.14 1.63 0.00 0.00 0.00 175.76 180.24 3h0r n LYS 235 N 1.35 3.48 -4.50 0.00 5.02 -1.26 -3.97 118.16 118.28 3h0r n LYS 235 Ca -0.05 -3.11 -0.24 0.00 -2.02 0.00 0.00 58.31 52.90 3h0r n LYS 235 Cb 0.50 -3.00 -0.16 0.00 -0.02 0.00 0.00 35.03 32.34 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 1.29 1.01 0.42 -0.18 1.01 -1.26 -5.09 120.40 117.60 3h0r s VAL 236 Ca 0.46 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3h0r s VAL 236 Cb 0.13 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 3h0r s VAL 236 CO -0.04 0.33 1.47 -0.81 0.00 0.00 0.00 175.10 176.04 3h0r n PRO 237 N 3.84 2.46 -2.69 2.72 -0.04 -1.26 -4.56 135.00 135.46 3h0r n PRO 237 Ca -0.23 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 63.67 3h0r n PRO 237 Cb 0.52 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 3h0r n PRO 237 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h0r s VAL 238 N -1.16 4.74 0.54 0.52 1.01 -1.26 -5.02 120.40 119.76 3h0r s VAL 238 Ca 0.58 2.00 -0.21 0.00 0.00 0.00 0.00 61.98 64.34 3h0r s VAL 238 Cb -0.46 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 3h0r s VAL 238 CO 0.60 -0.10 1.21 -2.84 0.00 0.00 0.00 175.10 173.98 3h0r s PRO 239 N 2.68 3.29 -1.21 2.72 0.02 -1.26 -4.89 135.00 136.35 3h0r s PRO 239 Ca 0.45 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 63.13 3h0r s PRO 239 Cb -0.16 -2.14 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 3h0r s PRO 239 CO 0.11 -0.96 1.89 0.39 -0.33 0.00 0.00 177.00 178.09 3h0r n GLU 240 N -1.12 2.36 -0.21 5.54 1.02 -1.26 -4.78 120.64 122.19 3h0r n GLU 240 Ca 0.11 -2.74 -0.03 0.00 -0.02 0.00 0.00 57.16 54.48 3h0r n GLU 240 Cb 0.48 -3.50 0.15 0.00 -0.02 0.00 0.00 31.44 28.56 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 8.26 1.01 0.00 -0.32 6.55 -1.90 -2.21 115.95 127.34 3h0r h TRP 241 Ca 0.37 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 60.12 3h0r h TRP 241 Cb 0.85 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 28.84 3h0r h TRP 241 CO 1.33 0.77 -0.11 0.66 -1.05 0.00 0.00 178.44 180.04 3h0r h SER 242 N 0.98 0.00 0.22 -3.49 4.64 -1.87 0.02 113.55 114.06 3h0r h SER 242 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3h0r h SER 242 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h0r h SER 242 CO -0.02 0.11 -0.36 -0.62 -0.87 0.00 0.00 176.83 175.08 3h0r n GLU 243 N -3.77 0.76 -0.03 4.77 -0.58 -0.87 -4.44 120.64 116.48 3h0r n GLU 243 Ca -0.02 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 3h0r n GLU 243 Cb 0.22 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.69 1.45 0.15 3.49 4.07 -0.14 -4.59 120.64 124.38 3h0r n GLU 244 Ca 0.10 -0.05 0.03 0.00 -0.06 0.00 0.00 57.16 57.19 3h0r n GLU 244 Cb 0.37 -1.23 0.42 0.00 -0.06 0.00 0.00 31.44 30.93 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 1.17 0.00 6.31 -1.51 -1.41 -2.93 116.25 117.88 3h0r h VAL 245 Ca -0.13 -0.78 -0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3h0r h VAL 245 Cb 1.03 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3h0r h VAL 245 CO 0.01 0.24 -0.04 0.50 -1.23 0.00 0.00 177.57 177.04 3h0r h LYS 246 N 0.15 0.00 -7.25 5.19 3.64 -1.84 -3.40 116.57 113.06 3h0r h LYS 246 Ca 0.03 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.89 3h0r h LYS 246 Cb 0.38 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.36 3h0r h LYS 246 CO 0.02 0.01 0.31 0.15 -2.27 0.00 0.00 179.45 177.68 3h0r s LYS 247 N -3.21 1.87 -0.07 1.90 1.02 -1.11 -5.06 119.74 115.07 3h0r s LYS 247 Ca 0.07 1.49 0.01 0.00 0.02 0.00 0.00 55.97 57.56 3h0r s LYS 247 Cb 0.05 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.55 3h0r s LYS 247 CO 0.68 -1.98 -0.09 -2.00 -0.92 0.00 0.00 175.35 171.03 3h0r s GLU 248 N -4.44 1.42 -0.20 1.68 2.12 -1.26 -4.93 118.70 113.09 3h0r s GLU 248 Ca 0.67 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.66 3h0r s GLU 248 Cb -0.23 -1.30 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 3h0r s GLU 248 CO 0.52 -0.08 0.03 0.08 -0.54 0.00 0.00 175.26 175.26 3h0r s VAL 249 N 1.03 4.29 0.33 3.70 1.01 -1.26 -5.09 120.40 124.41 3h0r s VAL 249 Ca -0.08 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 3h0r s VAL 249 Cb -0.15 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 3h0r s VAL 249 CO -0.00 0.43 0.93 -0.54 0.00 0.00 0.00 175.10 175.92 3h0r s LYS 250 N 0.79 4.54 -0.79 2.72 1.02 -1.26 -4.21 119.74 122.55 3h0r s LYS 250 Ca 0.02 1.29 -0.00 0.00 0.02 0.00 0.00 55.97 57.29 3h0r s LYS 250 Cb -0.14 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 3h0r s LYS 250 CO 0.02 0.26 0.04 0.41 -0.92 0.00 0.00 175.35 175.16 3h0r n GLY 251 N 0.46 0.00 3.76 -3.33 0.00 -1.26 -5.02 105.19 99.80 3h0r n GLY 251 Ca 0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.77 3.25 -0.02 0.99 1.43 -1.26 -4.86 118.68 115.45 3h0r s LEU 252 Ca 0.02 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3h0r s LEU 252 Cb -0.01 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 3h0r s LEU 252 CO 0.02 -1.84 -0.17 -0.54 0.23 0.00 0.00 176.35 174.05 3h0r s LYS 253 N -4.36 1.46 -0.12 1.70 1.02 -1.26 -2.24 119.74 115.93 3h0r s LYS 253 Ca 0.65 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.05 3h0r s LYS 253 Cb -0.20 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 3h0r s LYS 253 CO 0.47 0.36 -0.22 0.42 -0.92 0.00 0.00 175.35 175.45 3h0r s ILE 254 N -0.35 2.13 -0.15 2.17 1.01 0.11 -1.58 121.20 124.53 3h0r s ILE 254 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 3h0r s ILE 254 Cb -0.07 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3h0r s ILE 254 CO -0.00 0.55 0.28 -0.83 0.00 0.00 0.00 174.94 174.94 3h0r s GLY 255 N 0.57 2.21 -0.40 6.18 0.00 -0.12 -0.80 107.32 114.96 3h0r s GLY 255 Ca -0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 3h0r s GLY 255 CO 0.04 0.36 0.21 1.08 0.00 0.00 0.00 173.10 174.79 3h0r s LEU 256 N 0.30 5.04 0.02 0.66 1.43 0.46 -1.64 118.68 124.95 3h0r s LEU 256 Ca 0.16 -1.63 -0.33 0.00 -1.03 0.00 0.00 54.13 51.30 3h0r s LEU 256 Cb -0.13 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 3h0r s LEU 256 CO 0.04 -0.51 1.85 -2.65 0.23 0.00 0.00 176.35 175.31 3h0r n PRO 257 N 4.79 2.46 0.13 1.29 -0.02 -1.26 -1.69 135.00 140.71 3h0r n PRO 257 Ca -0.08 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 3h0r n PRO 257 Cb 0.42 -2.77 0.53 0.00 -0.02 0.00 0.00 33.50 31.66 3h0r n PRO 257 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3h0r h LYS 258 N 8.96 0.26 0.00 -0.52 1.57 -0.85 -1.79 116.57 124.20 3h0r h LYS 258 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3h0r h LYS 258 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3h0r h LYS 258 CO 0.94 0.19 0.00 0.93 -0.57 0.00 0.00 179.45 180.94 3h0r h GLU 259 N 0.26 0.00 0.00 3.15 3.07 -1.88 -2.51 114.58 116.67 3h0r h GLU 259 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3h0r h GLU 259 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3h0r h GLU 259 CO -0.01 0.00 0.00 0.74 -1.40 0.00 0.00 179.01 178.34 3h0r h PHE 260 N 0.00 0.00 0.00 4.33 -1.00 -1.70 -3.05 116.94 115.52 3h0r h PHE 260 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 3h0r h PHE 260 Cb 0.67 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3h0r h PHE 260 CO 0.00 0.00 -0.21 0.74 -1.61 0.00 0.00 178.31 177.23 3h0r h PHE 261 N 0.00 0.00 -0.01 -0.55 0.04 -1.53 -2.39 116.94 112.50 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 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 3h0r h PHE 261 CO 0.00 0.21 -0.02 0.39 -0.60 0.00 0.00 178.31 178.29 3h0r n GLU 262 N -3.87 1.37 -2.73 1.51 -0.58 -1.15 -4.83 120.64 110.36 3h0r n GLU 262 Ca -0.02 -0.62 -0.42 0.00 -0.42 0.00 0.00 57.16 55.69 3h0r n GLU 262 Cb 0.30 -1.49 -0.03 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 -2.06 3.64 -0.25 -0.32 2.02 -0.90 -4.98 117.35 114.50 3h0r s TYR 263 Ca 0.40 1.66 -0.28 0.00 -0.37 0.00 0.00 57.07 58.47 3h0r s TYR 263 Cb 0.21 -3.11 -0.06 0.00 -0.40 0.00 0.00 41.96 38.61 3h0r s TYR 263 CO 0.36 -0.03 2.24 0.39 -1.57 0.00 0.00 175.55 176.94 3h0r n GLU 264 N 4.03 1.84 -4.48 -0.62 1.02 -1.26 -4.98 120.64 116.19 3h0r n GLU 264 Ca 0.06 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 3h0r n GLU 264 Cb 0.51 -3.21 -0.10 0.00 -0.02 0.00 0.00 31.44 28.61 3h0r n GLU 264 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h0r s LEU 265 N 8.60 3.18 0.31 -4.62 1.43 -1.26 -4.83 118.68 121.50 3h0r s LEU 265 Ca 1.01 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 3h0r s LEU 265 Cb -0.35 -1.80 -0.11 0.00 0.03 0.00 0.00 46.19 43.96 3h0r s LEU 265 CO 0.35 0.30 1.50 -1.10 0.23 0.00 0.00 176.35 177.62 3h0r s GLN 266 N -1.31 4.18 0.26 1.70 -0.21 -0.05 -4.87 119.66 119.35 3h0r s GLN 266 Ca 0.16 2.47 -0.02 0.00 0.02 0.00 0.00 55.36 58.00 3h0r s GLN 266 Cb -0.11 -3.03 0.53 0.00 1.00 0.00 0.00 33.01 31.40 3h0r s GLN 266 CO 0.06 -0.51 1.72 -1.35 -2.12 0.00 0.00 175.29 173.10 3h0r h PRO 267 N 4.17 0.41 -0.58 2.91 0.11 -1.99 -0.26 132.00 136.77 3h0r h PRO 267 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 3h0r h PRO 267 Cb 1.23 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3h0r h PRO 267 CO 0.73 0.27 0.25 1.96 -0.21 0.00 0.00 178.00 181.00 3h0r h GLN 268 N 0.42 0.45 -0.17 1.05 7.50 -1.97 -0.48 115.11 121.90 3h0r h GLN 268 Ca 0.45 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.54 3h0r h GLN 268 Cb 0.75 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 3h0r h GLN 268 CO -0.45 0.30 -0.04 0.28 -1.50 0.00 0.00 178.83 177.42 3h0r h VAL 269 N 0.46 1.28 -0.38 -0.54 2.07 -1.52 -0.45 116.25 117.17 3h0r h VAL 269 Ca 0.28 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3h0r h VAL 269 Cb 0.28 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3h0r h VAL 269 CO -0.24 0.29 -0.10 0.50 0.02 0.00 0.00 177.57 178.04 3h0r h LYS 270 N 0.03 -0.00 -0.34 1.57 3.64 -0.81 0.69 116.57 121.36 3h0r h LYS 270 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3h0r h LYS 270 Cb 0.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3h0r h LYS 270 CO 0.02 -0.00 0.16 1.49 -2.27 0.00 0.00 179.45 178.85 3h0r h GLU 271 N -0.00 0.48 -0.70 1.90 4.81 -0.94 -0.82 114.58 119.31 3h0r h GLU 271 Ca 0.18 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3h0r h GLU 271 Cb 0.28 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3h0r h GLU 271 CO -0.39 0.44 0.43 0.00 -0.73 0.00 0.00 179.01 178.77 3h0r h ALA 272 N 1.02 0.92 -0.25 2.92 0.00 -0.55 -2.20 119.26 121.12 3h0r h ALA 272 Ca 0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3h0r h ALA 272 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h0r h ALA 272 CO -0.01 0.20 -0.60 0.35 0.00 0.00 0.00 179.25 179.18 3h0r h PHE 273 N 0.84 1.08 -0.41 0.00 3.57 -0.42 -1.82 116.94 119.79 3h0r h PHE 273 Ca 0.29 -0.41 0.03 0.00 3.53 0.00 0.00 57.97 61.40 3h0r h PHE 273 Cb 0.04 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3h0r h PHE 273 CO -0.05 1.24 0.21 0.93 -2.23 0.00 0.00 178.31 178.42 3h0r h GLU 274 N 0.62 0.41 -0.66 1.11 5.08 -1.06 -1.59 114.58 118.49 3h0r h GLU 274 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3h0r h GLU 274 Cb 1.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3h0r h GLU 274 CO 0.13 0.27 0.33 -0.97 -1.00 0.00 0.00 179.01 177.77 3h0r h ASN 275 N 0.43 0.86 -0.62 1.42 -0.00 -1.34 -0.20 115.58 116.14 3h0r h ASN 275 Ca 0.17 -0.13 0.09 0.00 -0.00 0.00 0.00 56.30 56.44 3h0r h ASN 275 Cb 0.07 -0.22 -0.07 0.00 -0.00 0.00 0.00 38.32 38.10 3h0r h ASN 275 CO -0.11 0.75 0.25 0.15 -0.00 0.00 0.00 177.43 178.46 3h0r h PHE 276 N 0.92 0.43 -0.03 0.67 3.57 -0.91 -0.26 116.94 121.32 3h0r h PHE 276 Ca 0.23 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.50 3h0r h PHE 276 Cb 0.11 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 38.77 3h0r h PHE 276 CO 0.00 0.12 -0.99 0.82 -2.23 0.00 0.00 178.31 176.03 3h0r h ILE 277 N 0.44 1.28 -0.71 1.41 1.08 -1.00 -2.12 117.51 117.88 3h0r h ILE 277 Ca 0.31 -2.19 0.01 0.00 -0.39 0.00 0.00 64.86 62.60 3h0r h ILE 277 Cb 0.37 2.30 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 3h0r h ILE 277 CO -0.30 0.68 0.47 0.11 -0.69 0.00 0.00 178.15 178.42 3h0r h LYS 278 N 0.42 0.92 -0.18 2.37 1.57 -0.79 0.16 116.57 121.05 3h0r h LYS 278 Ca -0.11 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 3h0r h LYS 278 Cb 1.64 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 3h0r h LYS 278 CO 0.20 0.61 -0.29 1.49 -0.57 0.00 0.00 179.45 180.88 3h0r h GLU 279 N 0.95 0.35 -0.30 3.15 4.57 -1.03 -0.99 114.58 121.28 3h0r h GLU 279 Ca 0.27 -0.13 -0.18 0.00 -1.18 0.00 0.00 59.36 58.13 3h0r h GLU 279 Cb -0.09 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3h0r h GLU 279 CO -0.07 0.61 -0.52 -0.07 -1.18 0.00 0.00 179.01 177.78 3h0r h LEU 280 N 0.31 0.97 -0.46 1.64 3.38 -0.85 -2.95 115.31 117.35 3h0r h LEU 280 Ca 0.04 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.55 3h0r h LEU 280 Cb 0.68 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3h0r h LEU 280 CO 0.05 1.31 0.20 -0.08 0.09 0.00 0.00 178.44 180.00 3h0r h GLU 281 N 0.68 0.38 -0.47 1.13 4.81 -0.29 -1.37 114.58 119.45 3h0r h GLU 281 Ca 0.02 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 3h0r h GLU 281 Cb 1.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3h0r h GLU 281 CO 0.12 0.25 0.33 0.87 -0.73 0.00 0.00 179.01 179.85 3h0r h LYS 282 N 0.39 0.10 -0.00 1.92 1.57 -1.14 -0.97 116.57 118.44 3h0r h LYS 282 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3h0r h LYS 282 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3h0r h LYS 282 CO -0.18 0.07 -0.12 0.39 -0.57 0.00 0.00 179.45 179.03 3h0r n GLU 283 N -4.43 0.61 0.00 3.15 -0.58 -0.54 -4.91 120.64 113.95 3h0r n GLU 283 Ca 0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3h0r n GLU 283 Cb 0.48 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.30 0.95 3.73 0.62 0.00 -0.37 -5.09 105.19 106.34 3h0r n GLY 284 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 3.30 -0.02 1.61 0.40 -1.06 -4.68 117.98 115.53 3h0r s PHE 285 Ca 0.00 1.24 -0.26 0.00 -0.60 0.00 0.00 56.93 57.32 3h0r s PHE 285 Cb 0.00 -3.57 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 3h0r s PHE 285 CO 0.00 -1.75 0.80 -2.00 0.70 0.00 0.00 175.22 172.96 3h0r s GLU 286 N 0.03 4.49 -0.24 0.44 2.12 -0.95 -4.34 118.70 120.25 3h0r s GLU 286 Ca 0.57 1.08 -0.04 0.00 0.36 0.00 0.00 54.97 56.94 3h0r s GLU 286 Cb -0.35 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.60 3h0r s GLU 286 CO 0.37 0.08 -0.02 0.42 -0.54 0.00 0.00 175.26 175.57 3h0r s ILE 287 N 0.68 3.45 -0.00 -3.70 -1.09 -1.26 -0.71 121.20 118.56 3h0r s ILE 287 Ca 0.42 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 58.31 3h0r s ILE 287 Cb -0.19 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3h0r s ILE 287 CO 0.22 0.31 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.49 3h0r s LYS 288 N 1.46 1.67 0.10 2.79 1.02 0.02 -4.98 119.74 121.82 3h0r s LYS 288 Ca 0.04 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 3h0r s LYS 288 Cb -0.15 -1.65 -0.06 0.00 -0.52 0.00 0.00 37.83 35.45 3h0r s LYS 288 CO -0.02 0.45 1.05 -1.21 -0.92 0.00 0.00 175.35 174.69 3h0r s GLU 289 N -0.65 4.60 0.36 1.68 2.02 -1.26 -0.40 118.70 125.04 3h0r s GLU 289 Ca 0.08 1.58 0.07 0.00 0.02 0.00 0.00 54.97 56.72 3h0r s GLU 289 Cb -0.08 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 3h0r s GLU 289 CO -0.00 0.05 -0.03 0.14 0.02 0.00 0.00 175.26 175.44 3h0r s VAL 290 N 0.28 1.91 -0.08 2.63 -7.23 -0.68 -4.81 120.40 112.41 3h0r s VAL 290 Ca 0.50 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3h0r s VAL 290 Cb -0.26 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 3h0r s VAL 290 CO 0.31 -0.11 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.48 3h0r s SER 291 N -3.60 4.68 -0.47 4.85 0.01 -1.26 -0.05 113.70 117.85 3h0r s SER 291 Ca 0.34 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.60 3h0r s SER 291 Cb 0.06 -1.27 0.17 0.00 0.21 0.00 0.00 66.02 65.19 3h0r s SER 291 CO 0.16 0.34 0.37 -0.76 0.41 0.00 0.00 173.24 173.75 3h0r s LEU 292 N -0.65 2.13 0.61 2.44 1.43 -1.26 -4.70 118.68 118.69 3h0r s LEU 292 Ca 0.10 -3.19 0.34 0.00 -1.03 0.00 0.00 54.13 50.35 3h0r s LEU 292 Cb -0.11 -0.70 1.87 0.00 0.03 0.00 0.00 46.19 47.28 3h0r s LEU 292 CO 0.02 -0.16 2.05 1.55 0.23 0.00 0.00 176.35 180.04 3h0r h PRO 293 N 5.66 0.00 -0.00 1.29 0.13 -1.96 -2.32 132.00 134.79 3h0r h PRO 293 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3h0r h PRO 293 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3h0r h PRO 293 CO 0.44 0.00 -0.77 0.72 -0.23 0.00 0.00 178.00 178.16 3h0r n HIS 294 N -2.85 0.00 0.16 1.56 8.25 -1.26 -4.68 115.22 116.40 3h0r n HIS 294 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 3h0r n HIS 294 Cb 0.21 0.00 0.59 0.00 1.12 0.00 0.00 29.99 31.91 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 0.30 0.99 -0.03 1.59 -1.51 -1.79 0.14 116.25 115.94 3h0r h VAL 295 Ca 0.00 -0.05 0.01 0.00 -1.23 0.00 0.00 66.70 65.43 3h0r h VAL 295 Cb 0.45 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 3h0r h VAL 295 CO 0.00 0.03 0.09 0.07 -1.23 0.00 0.00 177.57 176.52 3h0r h LYS 296 N 0.15 0.00 -0.02 5.19 2.10 -1.83 0.33 116.57 122.48 3h0r h LYS 296 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3h0r h LYS 296 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3h0r h LYS 296 CO -0.01 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.10 3h0r n TYR 297 N -3.32 0.03 -0.17 0.07 4.01 0.49 -4.29 117.16 113.98 3h0r n TYR 297 Ca -0.02 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.90 57.63 3h0r n TYR 297 Cb 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.75 0.61 0.28 7.72 0.02 -0.47 -2.08 113.55 120.37 3h0r h SER 298 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3h0r h SER 298 Cb 0.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3h0r h SER 298 CO 0.00 0.48 -0.13 0.40 -1.14 0.00 0.00 176.83 176.44 3h0r h ILE 299 N 0.68 0.75 -0.24 3.27 1.08 -1.79 -0.13 117.51 121.13 3h0r h ILE 299 Ca 0.18 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.41 3h0r h ILE 299 Cb -0.01 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 3h0r h ILE 299 CO -0.03 0.04 -0.19 -0.65 -0.69 0.00 0.00 178.15 176.62 3h0r h PRO 300 N -0.46 0.43 0.30 2.37 0.11 -1.83 -0.38 132.00 132.54 3h0r h PRO 300 Ca -0.04 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3h0r h PRO 300 Cb 0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3h0r h PRO 300 CO 0.06 0.61 -0.23 1.15 -0.21 0.00 0.00 178.00 179.38 3h0r h THR 301 N 0.39 0.51 -0.89 -1.15 2.02 -1.27 -2.85 112.91 109.68 3h0r h THR 301 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 3h0r h THR 301 Cb 0.56 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 3h0r h THR 301 CO 0.04 0.00 0.56 0.22 0.37 0.00 0.00 175.52 176.71 3h0r h TYR 302 N -0.53 1.04 -0.22 3.16 3.20 -0.70 -1.53 116.97 121.39 3h0r h TYR 302 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3h0r h TYR 302 Cb 0.47 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3h0r h TYR 302 CO -0.13 0.55 0.00 0.66 -1.64 0.00 0.00 178.16 177.60 3h0r n TYR 303 N -4.58 0.46 -0.06 -3.82 4.01 -0.18 -0.86 117.16 112.14 3h0r n TYR 303 Ca 0.12 -0.19 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 3h0r n TYR 303 Cb 0.15 -0.09 -0.04 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 0.20 0.61 0.16 -0.72 5.41 -0.97 -4.66 119.36 119.40 3h0r n ILE 304 Ca 0.08 -0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.53 3h0r n ILE 304 Cb 0.34 -1.55 -0.08 0.00 -0.71 0.00 0.00 39.64 37.65 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 -0.35 0.77 0.52 1.39 2.04 -1.13 -2.42 117.51 118.33 3h0r h ILE 305 Ca -0.28 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3h0r h ILE 305 Cb 1.26 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3h0r h ILE 305 CO -0.15 0.05 -0.30 0.00 0.00 0.00 0.00 178.15 177.74 3h0r h ALA 306 N 0.24 -0.78 -0.75 1.87 0.00 -1.26 -1.25 119.26 117.34 3h0r h ALA 306 Ca -0.04 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.85 3h0r h ALA 306 Cb 0.35 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3h0r h ALA 306 CO 0.06 -0.95 0.50 -1.35 0.00 0.00 0.00 179.25 177.51 3h0r h PRO 307 N -0.78 0.46 0.41 0.00 0.11 -1.76 0.17 132.00 130.62 3h0r h PRO 307 Ca -0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3h0r h PRO 307 Cb 0.63 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3h0r h PRO 307 CO 0.08 0.30 -0.20 0.77 -0.21 0.00 0.00 178.00 178.74 3h0r h SER 308 N 0.47 -0.47 -0.11 -2.05 0.02 -0.90 -0.84 113.55 109.68 3h0r h SER 308 Ca 0.36 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3h0r h SER 308 Cb 0.75 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3h0r h SER 308 CO -0.12 -0.16 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.04 3h0r h GLU 309 N -0.78 0.36 -0.17 3.45 5.08 -0.98 -2.31 114.58 119.23 3h0r h GLU 309 Ca -0.06 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3h0r h GLU 309 Cb 0.53 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3h0r h GLU 309 CO 0.09 0.42 -0.04 0.00 -1.00 0.00 0.00 179.01 178.49 3h0r h ALA 310 N 1.62 0.11 -0.13 3.43 0.00 -0.44 0.90 119.26 124.76 3h0r h ALA 310 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h0r h ALA 310 Cb 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h0r h ALA 310 CO 0.01 -0.48 -0.11 0.66 0.00 0.00 0.00 179.25 179.33 3h0r h SER 311 N 0.00 0.18 -0.01 0.00 4.64 -0.59 -0.51 113.55 117.26 3h0r h SER 311 Ca 0.08 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3h0r h SER 311 Cb 0.12 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3h0r h SER 311 CO -0.17 0.32 -0.09 -1.28 -0.87 0.00 0.00 176.83 174.73 3h0r h SER 312 N 0.19 0.11 0.54 4.97 0.87 -1.24 -3.11 113.55 115.87 3h0r h SER 312 Ca 0.04 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 3h0r h SER 312 Cb 0.32 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3h0r h SER 312 CO 0.02 0.78 0.00 0.78 -0.53 0.00 0.00 176.83 177.88 3h0r h ASN 313 N -0.56 0.00 -0.23 6.23 2.35 -0.36 -2.55 115.58 120.45 3h0r h ASN 313 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h0r h ASN 313 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3h0r h ASN 313 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 3h0r n LEU 314 N -2.79 2.76 0.30 1.61 4.32 -0.24 -4.40 117.00 118.56 3h0r n LEU 314 Ca -0.00 -1.44 0.16 0.00 -0.02 0.00 0.00 56.01 54.71 3h0r n LEU 314 Cb 0.19 -0.15 0.91 0.00 -1.62 0.00 0.00 43.42 42.75 3h0r n LEU 314 CO 0.21 0.60 1.08 0.00 -1.22 0.00 0.00 177.39 178.06 3h0r h ALA 315 N 3.01 1.26 0.00 -1.18 0.00 -1.38 -3.01 119.26 117.96 3h0r h ALA 315 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h0r h ALA 315 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h0r h ALA 315 CO 0.00 0.05 0.00 2.89 0.00 0.00 0.00 179.25 182.19 3h0r n ARG 316 N -3.51 0.21 -2.76 0.00 1.85 -1.26 -4.54 116.66 106.64 3h0r n ARG 316 Ca -0.02 0.25 -0.42 0.00 -1.00 0.00 0.00 57.85 56.65 3h0r n ARG 316 Cb 0.15 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 29.75 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 -3.14 2.62 0.00 2.89 2.02 -1.14 -4.73 117.35 115.87 3h0r s TYR 317 Ca 0.09 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3h0r s TYR 317 Cb 0.12 -4.41 0.00 0.00 -0.40 0.00 0.00 41.96 37.27 3h0r s TYR 317 CO 0.53 -1.76 0.01 -0.40 -1.57 0.00 0.00 175.55 172.36 3h0r n ASP 318 N 8.07 0.00 -0.00 2.29 5.75 -1.26 -4.79 116.55 126.60 3h0r n ASP 318 Ca 0.05 -1.00 -0.00 0.00 -0.01 0.00 0.00 54.79 53.83 3h0r n ASP 318 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3h0r n ASP 318 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h0r n GLY 319 N 0.00 0.45 0.12 6.12 0.00 -1.25 -4.55 105.19 106.08 3h0r n GLY 319 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.90 1.52 0.09 1.61 0.31 -1.26 -4.75 118.33 112.96 3h0r n VAL 320 Ca -0.00 -0.18 0.08 0.00 -0.01 0.00 0.00 64.34 64.23 3h0r n VAL 320 Cb 0.05 -2.00 -0.12 0.00 -0.91 0.00 0.00 33.84 30.86 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 -4.35 0.67 -3.70 5.55 1.74 -1.26 -5.05 116.66 110.25 3h0r n ARG 321 Ca -0.41 -0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 56.53 3h0r n ARG 321 Cb 0.75 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.82 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 -3.03 -0.09 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.38 3h0r s TYR 322 Ca -0.04 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 3h0r s TYR 322 Cb 0.11 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.56 3h0r s TYR 322 CO 0.67 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 3h0r n GLY 323 N -0.49 -0.12 3.76 5.49 0.00 -1.26 -4.31 105.19 108.27 3h0r n GLY 323 Ca -0.07 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 2.67 -0.02 1.61 5.04 -0.27 -4.89 117.35 121.48 3h0r s TYR 324 Ca 0.00 1.44 -0.00 0.00 -2.44 0.00 0.00 57.07 56.07 3h0r s TYR 324 Cb 0.00 -3.60 0.03 0.00 0.35 0.00 0.00 41.96 38.74 3h0r s TYR 324 CO 0.00 -2.13 0.03 0.50 -1.34 0.00 0.00 175.55 172.60 3h0r s ARG 325 N -2.63 0.04 0.56 4.97 3.52 -1.26 -3.84 118.95 120.31 3h0r s ARG 325 Ca 0.64 0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 56.23 3h0r s ARG 325 Cb -0.35 -0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 32.63 3h0r s ARG 325 CO 0.43 -0.18 0.92 0.00 -0.81 0.00 0.00 175.30 175.66 3h0r n ALA 326 N 4.31 0.02 0.10 6.12 0.00 -1.26 -4.94 120.51 124.86 3h0r n ALA 326 Ca -0.25 0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 3h0r n ALA 326 Cb 0.50 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.73 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 0.67 0.35 -5.09 0.00 1.57 -1.98 -3.45 116.57 108.66 3h0r h LYS 327 Ca -0.47 -0.60 -0.65 0.00 -1.87 0.00 0.00 60.65 57.06 3h0r h LYS 327 Cb 1.36 0.22 -0.23 0.00 0.08 0.00 0.00 32.23 33.67 3h0r h LYS 327 CO 0.52 1.26 -0.66 -1.21 -0.57 0.00 0.00 179.45 178.79 3h0r s GLU 328 N -2.62 3.62 -0.27 3.15 2.02 -1.26 -5.09 118.70 118.24 3h0r s GLU 328 Ca -0.08 -0.52 -0.22 0.00 0.02 0.00 0.00 54.97 54.17 3h0r s GLU 328 Cb 0.06 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.24 3h0r s GLU 328 CO 0.89 -0.03 0.70 1.52 0.02 0.00 0.00 175.26 178.36 3h0r s TYR 329 N 1.12 -0.85 -0.28 1.61 1.13 -1.26 -4.85 117.35 113.97 3h0r s TYR 329 Ca 0.03 1.95 0.23 0.00 -1.41 0.00 0.00 57.07 57.87 3h0r s TYR 329 Cb -0.14 0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 41.05 3h0r s TYR 329 CO 0.02 -0.41 0.98 1.63 -2.51 0.00 0.00 175.55 175.25 3h0r n LYS 330 N 3.12 0.55 -3.90 -3.49 5.02 -1.26 -4.93 118.16 113.27 3h0r n LYS 330 Ca -0.16 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 3h0r n LYS 330 Cb 0.56 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -4.98 0.36 0.34 4.39 3.84 -1.26 -5.04 116.67 114.32 3h0r s ASP 331 Ca -0.01 -1.29 0.15 0.00 -0.00 0.00 0.00 52.55 51.40 3h0r s ASP 331 Cb 0.11 0.80 0.60 0.00 -1.38 0.00 0.00 42.92 43.05 3h0r s ASP 331 CO 0.80 -1.58 1.71 -0.29 -0.00 0.00 0.00 175.17 175.82 3h0r h ILE 332 N 2.03 1.12 0.12 2.11 6.09 -1.98 -0.46 117.51 126.53 3h0r h ILE 332 Ca -0.31 -1.66 -0.01 0.00 -1.37 0.00 0.00 64.86 61.51 3h0r h ILE 332 Cb 1.25 1.95 0.00 0.00 0.47 0.00 0.00 36.82 40.49 3h0r h ILE 332 CO 0.40 0.44 -0.06 0.15 -3.07 0.00 0.00 178.15 176.02 3h0r h PHE 333 N 0.00 -0.15 -1.00 2.19 3.57 -1.99 -1.61 116.94 117.94 3h0r h PHE 333 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3h0r h PHE 333 Cb 0.92 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3h0r h PHE 333 CO 0.00 0.12 0.66 0.93 -2.23 0.00 0.00 178.31 177.79 3h0r h GLU 334 N -0.42 1.30 -0.12 1.11 5.08 -1.92 0.28 114.58 119.90 3h0r h GLU 334 Ca -0.02 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3h0r h GLU 334 Cb 0.34 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3h0r h GLU 334 CO 0.03 0.86 -0.01 1.98 -1.00 0.00 0.00 179.01 180.87 3h0r h MET 335 N 1.34 0.02 0.77 2.33 4.05 -0.98 0.01 114.93 122.47 3h0r h MET 335 Ca 0.37 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 3h0r h MET 335 Cb -0.14 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 3h0r h MET 335 CO -0.09 0.01 -0.46 1.88 0.23 0.00 0.00 176.91 178.48 3h0r h TYR 336 N 0.02 -1.23 -0.00 1.39 0.05 -0.99 -1.92 116.97 114.29 3h0r h TYR 336 Ca 0.06 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3h0r h TYR 336 Cb 0.07 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3h0r h TYR 336 CO -0.15 -0.70 -0.35 0.00 -1.05 0.00 0.00 178.16 175.91 3h0r h ALA 337 N -1.03 1.41 0.11 3.88 0.00 -0.80 -2.42 119.26 120.41 3h0r h ALA 337 Ca -0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 3h0r h ALA 337 Cb 0.92 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3h0r h ALA 337 CO 0.11 0.44 -0.95 0.00 0.00 0.00 0.00 179.25 178.85 3h0r h ARG 338 N 0.01 0.24 -0.82 0.00 3.08 -1.07 -2.05 114.38 113.77 3h0r h ARG 338 Ca -0.00 -0.41 0.18 0.00 0.07 0.00 0.00 59.98 59.82 3h0r h ARG 338 Cb 0.62 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.71 3h0r h ARG 338 CO 0.05 1.19 0.31 1.15 -1.07 0.00 0.00 179.97 181.60 3h0r h THR 339 N -0.44 0.53 0.06 2.04 2.02 -1.24 -0.65 112.91 115.23 3h0r h THR 339 Ca -0.19 -0.13 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3h0r h THR 339 Cb 1.60 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3h0r h THR 339 CO 0.09 0.07 -0.61 0.03 0.37 0.00 0.00 175.52 175.47 3h0r h ARG 340 N 0.38 0.31 -0.65 6.66 3.08 -1.52 0.13 114.38 122.77 3h0r h ARG 340 Ca 0.48 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3h0r h ARG 340 Cb 0.85 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 3h0r h ARG 340 CO -0.49 1.13 0.34 0.22 -1.07 0.00 0.00 179.97 180.10 3h0r h ASP 341 N -0.32 0.81 0.70 7.04 3.58 -1.21 -0.81 116.42 126.21 3h0r h ASP 341 Ca -0.09 -0.07 -0.26 0.00 0.42 0.00 0.00 57.03 57.03 3h0r h ASP 341 Cb 1.40 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 3h0r h ASP 341 CO 0.12 0.67 -1.23 -0.33 -2.88 0.00 0.00 179.24 175.58 3h0r h GLU 342 N 0.91 0.18 0.00 0.28 5.08 -1.15 -3.36 114.58 116.53 3h0r h GLU 342 Ca 0.23 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3h0r h GLU 342 Cb 0.05 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3h0r h GLU 342 CO -0.04 1.12 -0.99 0.78 -1.00 0.00 0.00 179.01 178.88 3h0r h GLY 343 N 2.07 0.00 -5.33 -3.84 0.00 -0.51 -3.46 103.07 92.00 3h0r h GLY 343 Ca -0.12 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.58 3h0r h GLY 343 CO 0.17 0.00 -0.30 -1.36 0.00 0.00 0.00 176.54 175.05 3h0r s PHE 344 N -2.97 3.65 1.04 5.60 0.08 -0.33 -2.21 117.98 122.84 3h0r s PHE 344 Ca 0.00 0.80 -0.17 0.00 0.12 0.00 0.00 56.93 57.68 3h0r s PHE 344 Cb 0.08 -2.19 0.23 0.00 -0.57 0.00 0.00 43.02 40.57 3h0r s PHE 344 CO 0.78 0.62 1.27 0.20 -0.10 0.00 0.00 175.22 177.99 3h0r s GLY 345 N -0.85 1.73 0.13 4.36 0.00 -1.26 -4.82 107.32 106.61 3h0r s GLY 345 Ca 0.20 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3h0r s GLY 345 CO 0.09 -0.34 1.42 -2.55 0.00 0.00 0.00 173.10 171.72 3h0r h PRO 346 N -1.93 0.90 -0.29 2.90 0.11 -1.97 -1.45 132.00 130.27 3h0r h PRO 346 Ca -0.44 -0.55 -0.15 0.00 0.11 0.00 0.00 66.00 64.96 3h0r h PRO 346 Cb 1.25 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3h0r h PRO 346 CO 0.36 1.19 -0.43 1.49 -0.21 0.00 0.00 178.00 180.40 3h0r h GLU 347 N 0.70 0.74 -0.36 1.05 4.57 -1.94 -1.28 114.58 118.06 3h0r h GLU 347 Ca 0.02 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 3h0r h GLU 347 Cb 1.12 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3h0r h GLU 347 CO 0.12 1.03 0.15 0.28 -1.18 0.00 0.00 179.01 179.41 3h0r h VAL 348 N 0.60 1.18 -0.79 0.32 2.07 -1.84 -2.18 116.25 115.60 3h0r h VAL 348 Ca 0.04 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3h0r h VAL 348 Cb 0.99 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3h0r h VAL 348 CO 0.09 0.20 0.48 0.11 0.02 0.00 0.00 177.57 178.47 3h0r h LYS 349 N 0.44 1.07 -0.57 1.57 1.57 -1.01 -0.35 116.57 119.29 3h0r h LYS 349 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3h0r h LYS 349 Cb 0.17 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3h0r h LYS 349 CO -0.01 0.74 0.33 0.00 -0.57 0.00 0.00 179.45 179.95 3h0r h ARG 350 N 1.09 0.78 -0.00 3.15 3.08 -0.82 -1.03 114.38 120.62 3h0r h ARG 350 Ca 0.28 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 3h0r h ARG 350 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3h0r h ARG 350 CO -0.05 0.57 -0.85 0.00 -1.07 0.00 0.00 179.97 178.57 3h0r h ARG 351 N 0.77 0.15 -0.20 0.04 3.08 -0.97 -1.49 114.38 115.76 3h0r h ARG 351 Ca 0.20 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3h0r h ARG 351 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3h0r h ARG 351 CO -0.04 0.91 0.12 0.82 -1.07 0.00 0.00 179.97 180.71 3h0r h ILE 352 N 0.09 1.09 0.23 2.04 2.04 -0.83 0.14 117.51 122.31 3h0r h ILE 352 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3h0r h ILE 352 Cb 1.47 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3h0r h ILE 352 CO 0.13 0.09 -0.16 0.24 0.00 0.00 0.00 178.15 178.44 3h0r h MET 353 N 0.24 -0.38 -0.35 2.37 2.86 -1.08 -1.02 114.93 117.58 3h0r h MET 353 Ca 0.07 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3h0r h MET 353 Cb 0.04 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3h0r h MET 353 CO -0.01 -0.25 0.17 1.25 1.06 0.00 0.00 176.91 179.12 3h0r h LEU 354 N -0.39 0.24 -0.66 1.22 5.85 -1.23 -2.46 115.31 117.87 3h0r h LEU 354 Ca -0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3h0r h LEU 354 Cb 0.34 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3h0r h LEU 354 CO 0.00 0.18 0.41 1.23 -0.34 0.00 0.00 178.44 179.92 3h0r h GLY 355 N 0.35 0.96 2.00 3.75 0.00 -0.56 0.33 103.07 109.89 3h0r h GLY 355 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3h0r h GLY 355 CO -0.11 0.25 -0.31 -0.91 0.00 0.00 0.00 176.54 175.46 3h0r h THR 356 N 0.79 0.86 0.10 4.70 1.35 -0.97 -2.03 112.91 117.72 3h0r h THR 356 Ca 0.27 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.88 3h0r h THR 356 Cb 0.04 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3h0r h THR 356 CO -0.12 0.30 -0.05 0.15 -0.25 0.00 0.00 175.52 175.56 3h0r h PHE 357 N 0.00 -0.13 -0.44 4.73 3.04 -0.97 -2.53 116.94 120.64 3h0r h PHE 357 Ca -0.00 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.07 3h0r h PHE 357 Cb 0.73 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 3h0r h PHE 357 CO 0.00 0.36 0.41 0.00 -2.02 0.00 0.00 178.31 177.06 3h0r h ALA 358 N 0.04 2.22 0.00 2.41 0.00 -0.75 -1.10 119.26 122.09 3h0r h ALA 358 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h0r h ALA 358 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h0r h ALA 358 CO 0.02 -0.64 -1.17 1.28 0.00 0.00 0.00 179.25 178.75 3h0r n LEU 359 N -3.93 0.79 -4.76 0.00 4.77 -0.78 -3.66 117.00 109.43 3h0r n LEU 359 Ca 0.08 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 3h0r n LEU 359 Cb 0.60 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 3h0r n LEU 359 CO 0.31 0.19 1.06 -0.94 -1.33 0.00 0.00 177.39 176.68 3h0r s SER 360 N -3.30 6.64 0.37 -1.43 1.04 -0.42 -4.58 113.70 112.02 3h0r s SER 360 Ca 0.05 2.76 -0.28 0.00 0.48 0.00 0.00 55.95 58.96 3h0r s SER 360 Cb 0.16 -2.64 -0.11 0.00 0.10 0.00 0.00 66.02 63.52 3h0r s SER 360 CO 0.87 -0.66 1.42 0.00 0.98 0.00 0.00 173.24 175.85 3h0r n ALA 361 N 1.24 2.02 0.00 5.32 0.00 -1.26 -0.98 120.51 126.84 3h0r n ALA 361 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3h0r n ALA 361 Cb 0.41 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 0.56 3.14 0.00 0.00 0.00 -1.26 -4.73 105.19 102.90 3h0r n GLY 362 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.68 0.00 -0.10 1.61 4.01 -0.16 -4.80 117.16 117.03 3h0r n TYR 363 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3h0r n TYR 363 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.05 -0.65 -0.72 5.03 -1.19 -1.63 116.97 117.86 3h0r h TYR 364 Ca 0.00 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 3h0r h TYR 364 Cb 0.00 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3h0r h TYR 364 CO 0.00 -0.02 0.39 -0.44 -1.32 0.00 0.00 178.16 176.77 3h0r h ASP 365 N 0.15 0.78 1.57 -2.11 3.32 -1.87 -1.48 116.42 116.78 3h0r h ASP 365 Ca 0.17 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h0r h ASP 365 Cb 0.22 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h0r h ASP 365 CO -0.26 0.61 -0.06 0.00 -1.72 0.00 0.00 179.24 177.81 3h0r h ALA 366 N 1.20 0.96 -3.00 3.45 0.00 -1.85 -2.58 119.26 117.45 3h0r h ALA 366 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h0r h ALA 366 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h0r h ALA 366 CO -0.04 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3h0r n TYR 367 N -2.49 0.00 0.05 0.00 4.02 -0.63 -4.58 117.16 113.53 3h0r n TYR 367 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 3h0r n TYR 367 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.38 0.29 -0.72 3.20 -1.47 0.60 116.97 118.49 3h0r h TYR 368 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h0r h TYR 368 Cb 0.00 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3h0r h TYR 368 CO 0.00 -0.22 -0.34 1.25 -1.64 0.00 0.00 178.16 177.22 3h0r h LEU 369 N -0.24 -0.92 -0.71 2.82 5.85 -1.49 -0.24 115.31 120.38 3h0r h LEU 369 Ca 0.06 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.00 3h0r h LEU 369 Cb 0.31 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 3h0r h LEU 369 CO -0.16 -0.46 0.21 0.50 -0.34 0.00 0.00 178.44 178.20 3h0r h LYS 370 N -0.67 0.32 -0.53 1.25 1.63 -1.14 -0.64 116.57 116.79 3h0r h LYS 370 Ca -0.01 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 3h0r h LYS 370 Cb 0.62 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3h0r h LYS 370 CO -0.09 0.21 0.10 0.00 -3.45 0.00 0.00 179.45 176.22 3h0r h ALA 371 N 1.56 1.18 0.00 5.00 0.00 -0.30 -0.83 119.26 125.87 3h0r h ALA 371 Ca 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h0r h ALA 371 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3h0r h ALA 371 CO -0.44 0.55 -0.26 1.96 0.00 0.00 0.00 179.25 181.06 3h0r h GLN 372 N 0.79 0.00 0.01 0.00 1.08 0.44 0.33 115.11 117.76 3h0r h GLN 372 Ca 0.17 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3h0r h GLN 372 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3h0r h GLN 372 CO 0.00 0.26 -0.17 0.87 -0.95 0.00 0.00 178.83 178.84 3h0r h LYS 373 N 0.00 0.10 -0.12 1.46 1.57 -0.52 -3.14 116.57 115.92 3h0r h LYS 373 Ca -0.00 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3h0r h LYS 373 Cb 0.73 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3h0r h LYS 373 CO 0.03 0.92 0.08 0.28 -0.57 0.00 0.00 179.45 180.20 3h0r h VAL 374 N -0.67 0.94 -0.72 0.50 2.07 -0.96 -0.07 116.25 117.34 3h0r h VAL 374 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3h0r h VAL 374 Cb 0.99 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3h0r h VAL 374 CO 0.03 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 177.91 3h0r h ARG 375 N 0.00 1.01 -0.26 1.57 2.43 -0.98 -0.94 114.38 117.21 3h0r h ARG 375 Ca 0.06 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 3h0r h ARG 375 Cb 0.22 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3h0r h ARG 375 CO -0.00 0.75 -0.55 -0.09 -1.51 0.00 0.00 179.97 178.56 3h0r h ARG 376 N 1.01 0.80 -0.06 0.20 2.43 -0.98 -0.39 114.38 117.39 3h0r h ARG 376 Ca 0.25 -0.51 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 3h0r h ARG 376 Cb 0.05 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3h0r h ARG 376 CO -0.04 1.14 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.22 3h0r h LEU 377 N 0.61 -0.83 -0.54 3.80 3.38 -1.03 0.21 115.31 120.91 3h0r h LEU 377 Ca 0.01 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3h0r h LEU 377 Cb 1.15 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 3h0r h LEU 377 CO 0.12 -0.33 0.30 0.40 0.09 0.00 0.00 178.44 179.02 3h0r h ILE 378 N -0.38 0.99 -0.67 1.22 2.04 -1.05 -0.76 117.51 118.90 3h0r h ILE 378 Ca 0.08 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3h0r h ILE 378 Cb 0.50 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3h0r h ILE 378 CO -0.28 0.11 0.44 0.74 0.00 0.00 0.00 178.15 179.15 3h0r h THR 379 N 0.58 1.15 -0.37 -0.27 2.02 -0.79 -2.67 112.91 112.55 3h0r h THR 379 Ca 0.23 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3h0r h THR 379 Cb 0.10 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3h0r h THR 379 CO -0.14 0.16 -0.12 0.78 0.37 0.00 0.00 175.52 176.57 3h0r h ASN 380 N 0.88 0.64 -0.46 4.18 2.35 0.05 -1.92 115.58 121.30 3h0r h ASN 380 Ca 0.25 -0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3h0r h ASN 380 Cb -0.07 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.04 3h0r h ASN 380 CO -0.07 0.79 -0.17 0.44 -1.65 0.00 0.00 177.43 176.77 3h0r h ASP 381 N 0.59 -0.59 -0.22 5.81 3.32 -0.84 -1.58 116.42 122.91 3h0r h ASP 381 Ca 0.10 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3h0r h ASP 381 Cb 0.55 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3h0r h ASP 381 CO 0.03 -0.20 0.13 -0.26 -1.72 0.00 0.00 179.24 177.22 3h0r h PHE 382 N -0.07 0.30 -1.00 4.55 0.04 -1.21 -0.61 116.94 118.93 3h0r h PHE 382 Ca 0.22 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.06 3h0r h PHE 382 Cb 0.41 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 3h0r h PHE 382 CO -0.44 0.24 0.65 -0.07 -0.60 0.00 0.00 178.31 178.09 3h0r h LEU 383 N 0.26 1.02 -0.09 1.54 3.38 -1.09 0.20 115.31 120.55 3h0r h LEU 383 Ca 0.08 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3h0r h LEU 383 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3h0r h LEU 383 CO -0.01 0.64 -0.33 0.50 0.09 0.00 0.00 178.44 179.33 3h0r h LYS 384 N 1.15 0.37 0.00 1.13 3.64 -1.06 -3.05 116.57 118.76 3h0r h LYS 384 Ca 0.44 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3h0r h LYS 384 Cb 0.20 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3h0r h LYS 384 CO -0.18 0.92 -0.00 0.00 -2.27 0.00 0.00 179.45 177.92 3h0r h ALA 385 N 0.46 1.91 0.00 5.00 0.00 -0.60 -1.17 119.26 124.86 3h0r h ALA 385 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h0r h ALA 385 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h0r h ALA 385 CO 0.07 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.51 3h0r n PHE 386 N -4.41 0.00 0.05 0.00 3.72 0.67 -2.17 117.46 115.32 3h0r n PHE 386 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 3h0r n PHE 386 Cb 0.09 -0.31 0.06 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.38 0.00 -1.08 5.08 -1.13 -3.33 114.58 114.50 3h0r h GLU 387 Ca 0.00 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 3h0r h GLU 387 Cb 0.28 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3h0r h GLU 387 CO 0.00 0.91 -1.65 0.39 -1.00 0.00 0.00 179.01 177.66 3h0r n GLU 388 N -3.86 0.64 -4.17 2.33 1.02 -0.99 -5.02 120.64 110.58 3h0r n GLU 388 Ca -0.04 0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3h0r n GLU 388 Cb 0.67 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 3h0r n GLU 388 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h0r s VAL 389 N -2.94 0.62 -0.16 2.62 0.11 -0.92 -4.98 120.40 114.74 3h0r s VAL 389 Ca -0.05 -1.93 0.15 0.00 -2.93 0.00 0.00 61.98 57.22 3h0r s VAL 389 Cb 0.09 -1.77 -0.21 0.00 -1.53 0.00 0.00 36.38 32.96 3h0r s VAL 389 CO 0.83 -0.79 0.08 0.47 -3.33 0.00 0.00 175.10 172.35 3h0r n ASP 390 N -0.07 0.88 -4.05 3.54 8.00 -0.61 -4.43 116.55 119.80 3h0r n ASP 390 Ca -0.11 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.32 3h0r n ASP 390 Cb 0.61 0.97 -0.10 0.00 -0.02 0.00 0.00 41.12 42.59 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 -2.46 0.20 -0.12 2.53 -7.23 -0.96 -4.33 120.40 108.04 3h0r s VAL 391 Ca -0.08 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 3h0r s VAL 391 Cb 0.05 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 3h0r s VAL 391 CO 0.69 -0.92 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.76 3h0r s ILE 392 N -3.71 2.69 0.11 -0.62 1.01 -0.01 -0.94 121.20 119.72 3h0r s ILE 392 Ca 0.05 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.99 3h0r s ILE 392 Cb 0.06 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3h0r s ILE 392 CO -0.09 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.19 3h0r s ALA 393 N 0.33 2.63 0.24 9.38 0.00 -0.65 0.19 121.76 133.88 3h0r s ALA 393 Ca -0.14 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 3h0r s ALA 393 Cb -0.17 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3h0r s ALA 393 CO 0.07 0.58 0.69 -1.54 0.00 0.00 0.00 175.76 175.56 3h0r s SER 394 N -2.02 -0.35 0.36 0.00 1.04 -0.63 -4.56 113.70 107.55 3h0r s SER 394 Ca 0.17 -0.43 -0.26 0.00 0.48 0.00 0.00 55.95 55.91 3h0r s SER 394 Cb -0.10 0.69 -0.12 0.00 0.10 0.00 0.00 66.02 66.58 3h0r s SER 394 CO 0.09 -1.24 0.93 -2.65 0.98 0.00 0.00 173.24 171.35 3h0r n PRO 395 N -0.44 1.20 0.14 4.02 -0.02 -1.26 0.23 135.00 138.87 3h0r n PRO 395 Ca -0.08 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.59 3h0r n PRO 395 Cb 0.61 -1.85 -0.16 0.00 -0.02 0.00 0.00 33.50 32.08 3h0r n PRO 395 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3h0r h THR 396 N 1.60 1.31 -3.23 3.45 2.02 -1.78 -3.42 112.91 112.86 3h0r h THR 396 Ca -0.41 -2.73 -0.48 0.00 0.77 0.00 0.00 66.41 63.56 3h0r h THR 396 Cb 1.35 3.02 -0.17 0.00 -1.74 0.00 0.00 68.15 70.61 3h0r h THR 396 CO 0.57 0.82 -0.76 -0.89 0.37 0.00 0.00 175.52 175.63 3h0r s THR 397 N -2.63 1.69 -0.76 3.16 2.01 -1.26 -4.33 115.64 113.52 3h0r s THR 397 Ca -0.08 -1.97 0.25 0.00 0.31 0.00 0.00 61.69 60.20 3h0r s THR 397 Cb 0.04 -1.84 0.25 0.00 0.01 0.00 0.00 72.50 70.96 3h0r s THR 397 CO 0.94 -0.42 1.77 -2.65 -0.69 0.00 0.00 174.62 173.56 3h0r n PRO 398 N 0.13 0.16 -4.27 4.92 -0.02 -1.26 -4.88 135.00 129.78 3h0r n PRO 398 Ca -0.12 0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.43 3h0r n PRO 398 Cb 0.58 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 3h0r n PRO 398 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h0r s THR 399 N -3.12 0.63 0.75 3.45 -4.23 -1.26 -0.87 115.64 110.99 3h0r s THR 399 Ca 0.10 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3h0r s THR 399 Cb 0.13 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.70 3h0r s THR 399 CO 0.50 -0.30 1.08 -0.76 -0.54 0.00 0.00 174.62 174.61 3h0r s LEU 400 N -3.22 3.07 -0.08 4.79 1.43 -1.26 -4.95 118.68 118.45 3h0r s LEU 400 Ca 0.29 1.77 -0.40 0.00 -1.03 0.00 0.00 54.13 54.76 3h0r s LEU 400 Cb 0.07 -4.51 -0.18 0.00 0.03 0.00 0.00 46.19 41.59 3h0r s LEU 400 CO 0.08 -1.86 1.32 -2.65 0.23 0.00 0.00 176.35 173.47 3h0r n PRO 401 N -3.39 0.49 -2.74 1.29 -0.02 -1.26 -4.96 135.00 124.42 3h0r n PRO 401 Ca 0.09 0.18 -0.21 0.00 -2.02 0.00 0.00 63.50 61.53 3h0r n PRO 401 Cb 0.53 -1.75 0.07 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.04 2.03 0.32 6.00 -0.12 -1.26 -4.85 117.98 121.15 3h0r s PHE 402 Ca 0.92 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 57.47 3h0r s PHE 402 Cb -1.18 -2.69 -0.04 0.00 -0.63 0.00 0.00 43.02 38.47 3h0r s PHE 402 CO 0.59 -1.22 0.54 0.15 -0.05 0.00 0.00 175.22 175.23 3h0r s LYS 403 N -4.85 3.53 0.51 1.99 1.02 -1.26 -1.53 119.74 119.15 3h0r s LYS 403 Ca 0.62 -0.21 -0.22 0.00 0.02 0.00 0.00 55.97 56.17 3h0r s LYS 403 Cb -0.07 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 3h0r s LYS 403 CO 0.40 0.18 1.12 1.19 -0.92 0.00 0.00 175.35 177.32 3h0r n PHE 404 N -1.44 1.47 0.00 3.18 3.72 -1.20 -2.04 117.46 121.14 3h0r n PHE 404 Ca -0.04 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 3h0r n PHE 404 Cb 0.55 -2.25 0.00 0.00 -0.94 0.00 0.00 39.48 36.84 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 1.06 2.56 0.24 1.37 0.00 -1.26 -4.85 105.19 104.31 3h0r n GLY 405 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3h0r n GLY 405 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0r h GLU 406 N 1.63 0.43 -0.37 1.61 5.08 -1.81 -3.23 114.58 117.91 3h0r h GLU 406 Ca 0.00 -0.13 -0.28 0.00 -1.00 0.00 0.00 59.36 57.95 3h0r h GLU 406 Cb 0.00 -0.04 -0.29 0.00 0.50 0.00 0.00 28.75 28.92 3h0r h GLU 406 CO 0.00 0.58 -0.80 0.54 -1.00 0.00 0.00 179.01 178.33 3h0r n ARG 407 N -4.19 2.24 -0.00 2.33 1.74 -1.26 -4.63 116.66 112.88 3h0r n ARG 407 Ca 0.00 -3.53 0.05 0.00 -0.77 0.00 0.00 57.85 53.60 3h0r n ARG 407 Cb 0.34 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.67 0.07 0.14 0.55 4.77 -1.22 -3.94 117.00 116.70 3h0r n LEU 408 Ca 0.26 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 3h0r n LEU 408 Cb 0.88 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.94 3h0r n LEU 408 CO 0.16 0.02 0.48 -0.33 -1.33 0.00 0.00 177.39 176.38 3h0r h GLU 409 N 0.00 -0.35 -4.98 3.23 4.39 -1.82 -3.40 114.58 111.64 3h0r h GLU 409 Ca 0.00 0.02 -0.64 0.00 0.34 0.00 0.00 59.36 59.09 3h0r h GLU 409 Cb 0.40 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 28.97 3h0r h GLU 409 CO 0.00 -0.23 -0.42 1.21 -1.16 0.00 0.00 179.01 178.41 3h0r s ASN 410 N -2.64 6.10 0.50 1.42 3.84 -1.26 -4.98 114.94 117.92 3h0r s ASN 410 Ca -0.05 0.08 0.20 0.00 0.21 0.00 0.00 52.86 53.30 3h0r s ASN 410 Cb 0.01 -2.15 1.27 0.00 -0.55 0.00 0.00 41.25 39.82 3h0r s ASN 410 CO 0.16 -0.10 2.03 -0.65 -2.79 0.00 0.00 177.10 175.74 3h0r h PRO 411 N 8.31 0.11 -0.94 0.43 0.11 -1.85 0.03 132.00 138.20 3h0r h PRO 411 Ca -0.34 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.84 3h0r h PRO 411 Cb 1.18 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3h0r h PRO 411 CO 0.59 0.07 0.61 0.82 -0.21 0.00 0.00 178.00 179.88 3h0r h ILE 412 N 0.11 1.05 -0.17 4.15 2.04 -1.93 -1.44 117.51 121.33 3h0r h ILE 412 Ca 0.20 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3h0r h ILE 412 Cb 0.65 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3h0r h ILE 412 CO -0.02 0.19 0.11 -0.33 0.00 0.00 0.00 178.15 178.10 3h0r h GLU 413 N 1.05 0.16 -0.09 2.37 5.08 -1.28 -0.41 114.58 121.46 3h0r h GLU 413 Ca 0.42 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.57 3h0r h GLU 413 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3h0r h GLU 413 CO -0.17 0.11 -0.74 1.98 -1.00 0.00 0.00 179.01 179.18 3h0r h MET 414 N 0.17 0.48 -0.78 2.33 4.05 -1.36 -3.21 114.93 116.62 3h0r h MET 414 Ca 0.07 -0.40 -0.02 0.00 -0.28 0.00 0.00 59.70 59.07 3h0r h MET 414 Cb 0.07 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 3h0r h MET 414 CO -0.01 1.03 0.41 1.88 0.23 0.00 0.00 176.91 180.45 3h0r h TYR 415 N 0.33 1.07 0.00 1.39 0.05 -0.93 -2.56 116.97 116.32 3h0r h TYR 415 Ca -0.04 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3h0r h TYR 415 Cb 1.33 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.73 3h0r h TYR 415 CO 0.05 0.75 0.00 1.28 -1.05 0.00 0.00 178.16 179.19 3h0r n LEU 416 N -4.34 0.03 0.29 3.88 4.77 -0.85 -1.50 117.00 119.29 3h0r n LEU 416 Ca 0.08 0.51 0.18 0.00 -0.03 0.00 0.00 56.01 56.76 3h0r n LEU 416 Cb 0.11 -0.51 0.81 0.00 -2.33 0.00 0.00 43.42 41.49 3h0r n LEU 416 CO 0.38 -0.45 1.04 0.28 -1.33 0.00 0.00 177.39 177.31 3h0r h SER 417 N 0.00 0.00 -0.10 -1.43 0.02 -1.59 -3.25 113.55 107.20 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 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 3h0r n ASP 418 N -3.06 2.96 0.10 3.07 8.00 -0.56 -4.61 116.55 122.44 3h0r n ASP 418 Ca -0.00 -1.96 0.18 0.00 0.71 0.00 0.00 54.79 53.72 3h0r n ASP 418 Cb 0.25 -0.05 0.73 0.00 -0.02 0.00 0.00 41.12 42.02 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 4.44 0.66 -0.00 0.53 3.07 -1.74 0.73 117.51 125.20 3h0r h ILE 419 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3h0r h ILE 419 Cb 0.95 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3h0r h ILE 419 CO 0.00 0.00 -0.91 0.18 -1.05 0.00 0.00 178.15 176.37 3h0r n LEU 420 N -4.18 1.16 -0.09 0.16 4.77 -1.26 -4.58 117.00 112.98 3h0r n LEU 420 Ca 0.06 -0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3h0r n LEU 420 Cb 0.47 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3h0r n LEU 420 CO 0.33 0.27 -1.10 0.35 -1.33 0.00 0.00 177.39 175.91 3h0r n THR 421 N -1.26 1.14 -0.20 -5.08 -2.24 0.14 -4.61 114.28 102.16 3h0r n THR 421 Ca 0.05 -0.55 -0.01 0.00 -2.27 0.00 0.00 64.05 61.27 3h0r n THR 421 Cb 0.35 -0.94 0.10 0.00 -2.10 0.00 0.00 70.33 67.74 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 0.83 -1.00 2.28 -1.51 -1.27 -2.97 116.25 112.61 3h0r h VAL 422 Ca -0.45 -0.16 0.25 0.00 -1.23 0.00 0.00 66.70 65.10 3h0r h VAL 422 Cb 1.83 0.31 -0.08 0.00 -2.13 0.00 0.00 31.29 31.22 3h0r h VAL 422 CO -0.03 0.09 0.65 -0.65 -1.23 0.00 0.00 177.57 176.40 3h0r h PRO 423 N 0.48 0.39 -0.26 5.19 0.11 -1.84 0.30 132.00 136.37 3h0r h PRO 423 Ca 0.30 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 3h0r h PRO 423 Cb 0.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3h0r h PRO 423 CO -0.26 0.26 -0.31 0.00 -0.21 0.00 0.00 178.00 177.48 3h0r h ALA 424 N 1.61 0.99 -0.13 -0.75 0.00 -1.83 -2.26 119.26 116.89 3h0r h ALA 424 Ca 0.55 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3h0r h ALA 424 Cb 1.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h0r h ALA 424 CO -0.25 0.60 -0.75 -0.91 0.00 0.00 0.00 179.25 177.94 3h0r h ASN 425 N 0.46 0.76 -0.77 0.00 4.21 -0.57 0.95 115.58 120.61 3h0r h ASN 425 Ca 0.06 -0.50 0.05 0.00 1.21 0.00 0.00 56.30 57.12 3h0r h ASN 425 Cb 0.76 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.68 3h0r h ASN 425 CO 0.06 1.27 0.47 -0.07 -1.29 0.00 0.00 177.43 177.88 3h0r h LEU 426 N 0.44 0.76 -0.28 1.61 3.38 -1.18 -2.38 115.31 117.65 3h0r h LEU 426 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h0r h LEU 426 Cb 1.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3h0r h LEU 426 CO 0.15 0.50 -0.24 0.00 0.09 0.00 0.00 178.44 178.94 3h0r n ALA 427 N -2.34 3.01 -1.33 1.53 0.00 -0.87 -4.85 120.51 115.67 3h0r n ALA 427 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 3h0r n ALA 427 Cb 0.13 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 1.36 0.83 3.88 0.00 0.00 -0.70 -4.98 105.19 105.58 3h0r n GLY 428 Ca 0.11 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.71 4.11 0.61 0.99 1.43 0.25 -1.76 118.68 122.59 3h0r s LEU 429 Ca 0.00 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 3h0r s LEU 429 Cb 0.00 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 3h0r s LEU 429 CO 0.00 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.40 3h0r s PRO 430 N -3.04 3.07 -0.12 1.29 0.04 -1.26 -4.59 135.00 130.39 3h0r s PRO 430 Ca 0.48 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 3h0r s PRO 430 Cb -0.11 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3h0r s PRO 430 CO 0.23 -1.05 0.55 0.00 0.04 0.00 0.00 177.00 176.76 3h0r s ALA 431 N -2.10 -1.38 -0.01 8.56 0.00 -0.17 -1.87 121.76 124.78 3h0r s ALA 431 Ca 0.69 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.91 3h0r s ALA 431 Cb -0.22 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 3h0r s ALA 431 CO 0.35 -0.30 -0.09 -1.50 0.00 0.00 0.00 175.76 174.22 3h0r s ILE 432 N -0.53 0.72 -0.14 0.00 2.07 -0.52 -1.41 121.20 121.40 3h0r s ILE 432 Ca -0.06 -0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 58.78 3h0r s ILE 432 Cb -0.03 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3h0r s ILE 432 CO 0.04 0.21 -0.06 -0.55 -1.91 0.00 0.00 174.94 172.67 3h0r s SER 433 N -0.08 4.60 -0.03 4.50 0.15 -0.26 -1.45 113.70 121.14 3h0r s SER 433 Ca 0.01 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.53 3h0r s SER 433 Cb -0.05 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 3h0r s SER 433 CO -0.00 0.19 -0.11 -0.63 1.20 0.00 0.00 173.24 173.89 3h0r s ILE 434 N 0.24 0.91 0.07 6.45 -1.09 0.11 -1.78 121.20 126.09 3h0r s ILE 434 Ca -0.04 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 3h0r s ILE 434 Cb -0.14 -0.80 -0.08 0.00 -1.58 0.00 0.00 42.46 39.86 3h0r s ILE 434 CO 0.03 0.28 1.56 -2.84 -1.23 0.00 0.00 174.94 172.74 3h0r s PRO 435 N 0.10 4.23 -0.00 2.79 0.02 -1.26 0.61 135.00 141.49 3h0r s PRO 435 Ca -0.02 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.23 3h0r s PRO 435 Cb -0.08 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.91 3h0r s PRO 435 CO 0.01 -0.66 0.01 0.44 -0.33 0.00 0.00 177.00 176.47 3h0r n ILE 436 N 4.58 0.00 -3.64 2.83 -5.35 0.37 -4.85 119.36 113.29 3h0r n ILE 436 Ca 0.15 -0.15 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 3h0r n ILE 436 Cb 0.41 0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.75 -1.73 -0.15 -1.28 0.00 -1.20 -4.87 121.76 110.77 3h0r s ALA 437 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3h0r s ALA 437 Cb 0.00 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.69 3h0r s ALA 437 CO 0.02 -0.89 -0.15 -1.58 0.00 0.00 0.00 175.76 173.16 3h0r s TRP 438 N -3.21 2.23 -0.17 0.00 0.52 -1.26 -1.48 118.94 115.57 3h0r s TRP 438 Ca 0.09 -1.27 0.01 0.00 0.02 0.00 0.00 56.10 54.95 3h0r s TRP 438 Cb -0.01 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3h0r s TRP 438 CO -0.03 -0.69 -0.14 0.15 0.02 0.00 0.00 176.95 176.27 3h0r s LYS 439 N 1.47 2.31 -1.46 4.98 -0.14 -0.06 -4.62 119.74 122.22 3h0r s LYS 439 Ca 0.05 -0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 3h0r s LYS 439 Cb -0.13 -2.31 0.03 0.00 -1.68 0.00 0.00 37.83 33.74 3h0r s LYS 439 CO -0.11 -0.31 0.62 -0.25 -0.76 0.00 0.00 175.35 174.54 3h0r n ASP 440 N 4.71 -5.28 0.00 2.83 8.00 -1.26 -1.98 116.55 123.57 3h0r n ASP 440 Ca -0.17 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3h0r n ASP 440 Cb 0.49 -4.28 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 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 -1.45 0.97 3.38 0.44 0.00 -1.26 -5.05 105.19 102.23 3h0r n GLY 441 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 2.33 0.56 0.99 1.43 -0.84 -4.91 118.68 118.24 3h0r s LEU 442 Ca 0.00 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3h0r s LEU 442 Cb 0.00 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3h0r s LEU 442 CO 0.00 0.29 1.21 -2.84 0.23 0.00 0.00 176.35 175.24 3h0r s PRO 443 N -1.03 3.19 -0.07 1.29 0.02 -1.26 -0.88 135.00 136.26 3h0r s PRO 443 Ca 0.12 1.85 0.03 0.00 0.02 0.00 0.00 61.00 63.01 3h0r s PRO 443 Cb -0.10 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.36 3h0r s PRO 443 CO 0.02 -1.04 -0.14 0.08 -0.33 0.00 0.00 177.00 175.59 3h0r s VAL 444 N -1.57 1.29 -0.10 3.83 1.01 -0.55 -4.67 120.40 119.65 3h0r s VAL 444 Ca 0.74 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3h0r s VAL 444 Cb -0.31 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3h0r s VAL 444 CO 0.34 0.39 0.09 -0.83 0.00 0.00 0.00 175.10 175.09 3h0r s GLY 445 N 0.60 2.04 -0.13 4.51 0.00 -1.26 -0.48 107.32 112.60 3h0r s GLY 445 Ca -0.15 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3h0r s GLY 445 CO 0.05 -0.47 0.05 -0.32 0.00 0.00 0.00 173.10 172.41 3h0r s GLY 446 N -1.03 1.94 -0.15 0.20 0.00 0.20 -2.37 107.32 106.11 3h0r s GLY 446 Ca 0.15 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 44.07 3h0r s GLY 446 CO 0.04 -0.29 0.03 1.62 0.00 0.00 0.00 173.10 174.50 3h0r s GLN 447 N -0.43 3.69 -0.15 2.90 0.74 0.14 -0.72 119.66 125.83 3h0r s GLN 447 Ca 0.09 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.13 3h0r s GLN 447 Cb -0.12 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.94 3h0r s GLN 447 CO 0.02 0.37 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.43 3h0r s LEU 448 N 0.06 2.23 -0.20 3.68 1.43 -0.53 -1.60 118.68 123.76 3h0r s LEU 448 Ca 0.04 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3h0r s LEU 448 Cb -0.13 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3h0r s LEU 448 CO 0.01 0.08 0.08 -0.63 0.23 0.00 0.00 176.35 176.12 3h0r s ILE 449 N 0.84 4.81 0.46 -0.59 1.01 0.13 -1.43 121.20 126.42 3h0r s ILE 449 Ca -0.06 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.64 3h0r s ILE 449 Cb -0.15 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3h0r s ILE 449 CO -0.02 0.43 0.41 -0.83 0.00 0.00 0.00 174.94 174.93 3h0r s GLY 450 N 0.62 2.18 0.76 6.18 0.00 -0.78 -0.83 107.32 115.44 3h0r s GLY 450 Ca 0.04 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 42.88 3h0r s GLY 450 CO 0.01 -1.77 1.09 0.54 0.00 0.00 0.00 173.10 172.98 3h0r s LYS 451 N -4.20 2.42 0.07 2.90 1.02 -1.26 -4.06 119.74 116.64 3h0r s LYS 451 Ca 0.45 0.61 -0.35 0.00 0.02 0.00 0.00 55.97 56.71 3h0r s LYS 451 Cb -0.03 -1.96 -0.14 0.00 -0.52 0.00 0.00 37.83 35.18 3h0r s LYS 451 CO 0.27 -1.38 1.60 0.72 -0.92 0.00 0.00 175.35 175.64 3h0r n HIS 452 N -3.26 2.12 -0.95 3.18 8.25 -1.26 -1.35 115.22 121.95 3h0r n HIS 452 Ca 0.07 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3h0r n HIS 452 Cb 0.56 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.15 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 3.96 0.00 -1.91 4.41 7.02 -1.26 -4.92 117.44 124.74 3h0r n TRP 453 Ca 0.19 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.28 3h0r n TRP 453 Cb 0.26 -0.41 0.04 0.00 -2.42 0.00 0.00 31.31 28.78 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 7.33 -0.05 -0.99 -0.08 -0.46 -4.61 116.55 117.57 3h0r n ASP 454 Ca 0.00 -3.83 0.01 0.00 -1.51 0.00 0.00 54.79 49.46 3h0r n ASP 454 Cb 0.06 -1.01 0.32 0.00 2.34 0.00 0.00 41.12 42.83 3h0r n ASP 454 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3h0r h GLU 455 N 2.88 0.63 -0.29 -0.67 3.07 -1.91 -3.21 114.58 115.08 3h0r h GLU 455 Ca 0.55 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 59.37 3h0r h GLU 455 Cb 0.16 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 27.88 3h0r h GLU 455 CO 1.40 0.52 -0.55 1.15 -1.40 0.00 0.00 179.01 180.13 3h0r h THR 456 N 0.63 0.00 -0.22 1.13 2.02 -1.98 0.24 112.91 114.74 3h0r h THR 456 Ca 0.16 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.39 3h0r h THR 456 Cb 0.12 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.46 3h0r h THR 456 CO -0.02 0.00 -0.22 0.74 0.37 0.00 0.00 175.52 176.39 3h0r h THR 457 N -0.47 0.43 -1.00 3.16 2.02 -1.95 0.30 112.91 115.40 3h0r h THR 457 Ca 0.06 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.44 3h0r h THR 457 Cb 0.63 0.43 -0.11 0.00 -1.74 0.00 0.00 68.15 67.37 3h0r h THR 457 CO -0.53 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.90 3h0r h LEU 458 N -0.24 0.74 -0.28 2.58 4.07 -1.54 -1.12 115.31 119.52 3h0r h LEU 458 Ca 0.13 0.10 -0.21 0.00 0.08 0.00 0.00 57.88 57.98 3h0r h LEU 458 Cb 0.43 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3h0r h LEU 458 CO -0.35 0.23 -0.78 -0.07 -1.08 0.00 0.00 178.44 176.39 3h0r h LEU 459 N 0.70 0.66 0.10 1.67 3.38 0.84 -2.58 115.31 120.08 3h0r h LEU 459 Ca 0.59 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3h0r h LEU 459 Cb 0.99 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3h0r h LEU 459 CO -0.39 1.22 -0.05 1.56 0.09 0.00 0.00 178.44 180.87 3h0r h GLN 460 N 0.37 -0.13 -1.00 1.13 4.20 0.56 -0.54 115.11 119.69 3h0r h GLN 460 Ca -0.05 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.82 3h0r h GLN 460 Cb 1.39 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 29.10 3h0r h GLN 460 CO 0.14 0.20 0.61 0.82 -0.67 0.00 0.00 178.83 179.93 3h0r h ILE 461 N -0.47 0.81 -0.76 2.54 2.04 -1.33 0.51 117.51 120.85 3h0r h ILE 461 Ca -0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3h0r h ILE 461 Cb 0.39 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3h0r h ILE 461 CO 0.02 0.16 0.46 -1.28 0.00 0.00 0.00 178.15 177.51 3h0r h SER 462 N 0.87 0.91 -0.46 1.72 0.87 -1.14 -0.08 113.55 116.24 3h0r h SER 462 Ca 0.53 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.90 3h0r h SER 462 Cb 0.68 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3h0r h SER 462 CO -0.32 0.70 -0.21 0.22 -0.53 0.00 0.00 176.83 176.69 3h0r h TYR 463 N 1.03 1.10 -0.41 2.24 3.20 0.66 -2.12 116.97 122.68 3h0r h TYR 463 Ca 0.27 -0.27 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3h0r h TYR 463 Cb -0.04 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3h0r h TYR 463 CO -0.01 1.08 -0.20 1.25 -1.64 0.00 0.00 178.16 178.64 3h0r h LEU 464 N 0.80 0.82 -0.88 2.82 5.85 -0.82 -3.12 115.31 120.78 3h0r h LEU 464 Ca 0.10 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 3h0r h LEU 464 Cb 0.79 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3h0r h LEU 464 CO 0.07 1.00 -0.49 -0.25 -0.34 0.00 0.00 178.44 178.43 3h0r h TRP 465 N 0.71 0.21 -0.04 1.25 2.91 -0.83 -2.98 115.95 117.17 3h0r h TRP 465 Ca 0.10 -0.06 -0.11 0.00 1.13 0.00 0.00 58.89 59.95 3h0r h TRP 465 Cb 0.72 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 3h0r h TRP 465 CO 0.04 0.63 -0.48 1.05 -1.03 0.00 0.00 178.44 178.64 3h0r h GLU 466 N 0.14 0.11 -0.31 2.65 4.11 -1.36 0.13 114.58 120.05 3h0r h GLU 466 Ca 0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.39 3h0r h GLU 466 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3h0r h GLU 466 CO 0.07 0.57 0.18 1.96 0.07 0.00 0.00 179.01 181.86 3h0r h GLN 467 N 0.09 0.35 -0.29 1.06 1.08 -1.46 -2.77 115.11 113.17 3h0r h GLN 467 Ca 0.00 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 3h0r h GLN 467 Cb 0.89 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 3h0r h GLN 467 CO 0.07 0.23 -0.22 0.87 -0.95 0.00 0.00 178.83 178.83 3h0r h LYS 468 N 0.36 0.66 -3.64 1.46 1.57 -1.39 -3.42 116.57 112.18 3h0r h LYS 468 Ca 0.12 -0.33 -0.56 0.00 -1.87 0.00 0.00 60.65 58.01 3h0r h LYS 468 Cb 0.01 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.92 3h0r h LYS 468 CO -0.06 0.93 -0.76 0.12 -0.57 0.00 0.00 179.45 179.10 3h0r s PHE 469 N -4.45 1.53 -1.27 -1.35 5.36 0.44 -5.06 117.98 113.19 3h0r s PHE 469 Ca -0.13 -1.42 -0.14 0.00 -0.96 0.00 0.00 56.93 54.29 3h0r s PHE 469 Cb 0.08 -1.45 0.14 0.00 -0.34 0.00 0.00 43.02 41.45 3h0r s PHE 469 CO 0.81 -0.77 1.68 1.63 -1.46 0.00 0.00 175.22 177.11 3h0r n LYS 470 N 4.90 3.34 0.25 10.12 5.02 -1.06 -4.18 118.16 136.56 3h0r n LYS 470 Ca -0.06 -3.54 0.17 0.00 -2.02 0.00 0.00 58.31 52.86 3h0r n LYS 470 Cb 0.44 -3.14 0.71 0.00 -0.02 0.00 0.00 35.03 33.03 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 6.79 0.00 0.00 2.13 2.07 -1.92 -2.88 115.15 121.35 3h0r h HIS 471 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3h0r h HIS 471 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 3h0r h HIS 471 CO 1.24 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.58 3h0r n TYR 472 N -2.87 0.00 0.09 6.12 0.18 -1.26 -2.33 117.16 117.09 3h0r n TYR 472 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.90 3h0r n TYR 472 Cb 0.25 -0.36 -0.02 0.00 -0.38 0.00 0.00 39.34 38.82 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 -1.36 0.61 -2.56 -3.48 1.02 -1.09 -4.77 120.64 109.02 3h0r n GLU 473 Ca 0.09 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 3h0r n GLU 473 Cb 0.21 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 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 -3.38 3.53 -0.18 3.49 1.02 -0.98 -4.98 119.74 118.26 3h0r s LYS 474 Ca -0.01 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.32 3h0r s LYS 474 Cb 0.10 -4.01 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 3h0r s LYS 474 CO 0.80 -1.66 -0.17 0.42 -0.92 0.00 0.00 175.35 173.83 3h0r s ILE 475 N 5.00 2.38 0.90 2.17 1.01 -1.26 -5.06 121.20 126.34 3h0r s ILE 475 Ca 0.45 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3h0r s ILE 475 Cb -0.08 -2.02 0.15 0.00 0.01 0.00 0.00 42.46 40.52 3h0r s ILE 475 CO 0.27 0.52 1.24 -2.16 0.00 0.00 0.00 174.94 174.81 3h0r s PRO 476 N 1.21 1.16 -1.31 2.79 0.04 -1.26 -4.22 135.00 133.41 3h0r s PRO 476 Ca 0.03 -0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.69 3h0r s PRO 476 Cb -0.14 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3h0r s PRO 476 CO -0.08 -2.10 0.47 1.28 0.04 0.00 0.00 177.00 176.60 3h0r n LEU 477 N -3.62 -0.36 0.00 -3.56 4.77 -1.26 -4.91 117.00 108.07 3h0r n LEU 477 Ca 0.11 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 3h0r n LEU 477 Cb 0.60 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3h0r n LEU 477 CO 0.51 0.72 0.00 0.35 -1.33 0.00 0.00 177.39 177.64