#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n LEU 2 N 0.00 0.00 0.21 -0.89 7.94 -1.26 -4.25 117.00 118.75 3h0m n LEU 2 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 3h0m n LEU 2 Cb 0.00 0.00 0.68 0.00 0.53 0.00 0.00 43.42 44.63 3h0m n LEU 2 CO 0.00 0.00 0.94 4.11 -1.11 0.00 0.00 177.39 181.33 3h0m h TRP 3 N 0.00 0.00 -0.00 1.96 5.08 -1.90 -1.06 115.95 120.03 3h0m h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3h0m h TRP 3 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3h0m h TRP 3 CO 0.00 0.00 -0.04 1.17 -1.28 0.00 0.00 178.44 178.29 3h0m n LYS 4 N -2.62 0.77 -3.69 0.12 4.81 -1.26 -4.90 118.16 111.39 3h0m n LYS 4 Ca 0.00 -0.15 -0.30 0.00 -0.87 0.00 0.00 58.31 56.99 3h0m n LYS 4 Cb 0.19 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 3h0m n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3h0m s LYS 5 N -2.34 3.57 0.84 1.64 1.02 -0.40 -4.83 119.74 119.24 3h0m s LYS 5 Ca 0.35 -0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.01 3h0m s LYS 5 Cb 0.21 -2.85 0.10 0.00 -0.52 0.00 0.00 37.83 34.76 3h0m s LYS 5 CO 0.43 0.44 1.15 -1.54 -0.92 0.00 0.00 175.35 174.92 3h0m s SER 6 N -2.75 4.16 0.48 2.83 1.04 -1.26 -4.81 113.70 113.39 3h0m s SER 6 Ca 0.40 0.90 0.26 0.00 0.48 0.00 0.00 55.95 57.99 3h0m s SER 6 Cb -0.12 -1.46 1.16 0.00 0.10 0.00 0.00 66.02 65.70 3h0m s SER 6 CO 0.27 -2.13 1.93 -0.07 0.98 0.00 0.00 173.24 174.22 3h0m h LEU 7 N -1.21 0.00 -0.06 2.42 3.38 -1.97 0.32 115.31 118.19 3h0m h LEU 7 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3h0m h LEU 7 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3h0m h LEU 7 CO 0.64 0.18 -0.12 0.28 0.09 0.00 0.00 178.44 179.51 3h0m h SER 8 N 0.00 0.20 -0.54 -0.43 0.02 -1.99 0.47 113.55 111.28 3h0m h SER 8 Ca -0.00 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 3h0m h SER 8 Cb 0.57 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3h0m h SER 8 CO 0.02 0.73 0.20 -0.33 -1.14 0.00 0.00 176.83 176.32 3h0m h GLU 9 N -0.32 0.83 -0.45 3.45 5.08 -1.86 -2.57 114.58 118.74 3h0m h GLU 9 Ca 0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3h0m h GLU 9 Cb 0.70 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3h0m h GLU 9 CO 0.03 0.73 0.16 -0.07 -1.00 0.00 0.00 179.01 178.86 3h0m h LEU 10 N 0.74 0.64 0.05 1.33 4.07 -0.41 -2.88 115.31 118.86 3h0m h LEU 10 Ca 0.18 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 3h0m h LEU 10 Cb 0.23 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3h0m h LEU 10 CO -0.01 0.66 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.90 3h0m h ARG 11 N 0.59 -0.06 -0.94 1.13 2.43 -0.83 -1.08 114.38 115.61 3h0m h ARG 11 Ca 0.15 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3h0m h ARG 11 Cb 0.24 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3h0m h ARG 11 CO -0.01 -0.01 0.61 1.49 -1.51 0.00 0.00 179.97 180.54 3h0m h GLU 12 N -0.09 1.15 -0.03 0.20 4.81 -1.48 0.24 114.58 119.39 3h0m h GLU 12 Ca -0.01 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3h0m h GLU 12 Cb 0.07 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3h0m h GLU 12 CO 0.01 0.76 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.60 3h0m h LEU 13 N 1.19 0.06 0.21 1.64 4.07 -1.28 -2.77 115.31 118.43 3h0m h LEU 13 Ca 0.38 -0.02 -0.32 0.00 0.08 0.00 0.00 57.88 57.99 3h0m h LEU 13 Cb 0.00 -0.02 0.03 0.00 1.08 0.00 0.00 40.66 41.76 3h0m h LEU 13 CO -0.12 0.43 -1.41 -0.07 -1.08 0.00 0.00 178.44 176.19 3h0m h LEU 14 N 0.05 0.77 -0.93 1.67 3.38 -0.08 -1.00 115.31 119.16 3h0m h LEU 14 Ca 0.00 -0.81 -0.07 0.00 0.09 0.00 0.00 57.88 57.10 3h0m h LEU 14 Cb 0.70 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3h0m h LEU 14 CO 0.05 1.63 0.05 0.11 0.09 0.00 0.00 178.44 180.37 3h0m h LYS 15 N 0.15 0.83 -0.62 1.13 1.57 -0.55 -2.69 116.57 116.38 3h0m h LYS 15 Ca -0.23 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3h0m h LYS 15 Cb 2.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.31 3h0m h LYS 15 CO 0.26 0.80 0.00 0.54 -0.57 0.00 0.00 179.45 180.48 3h0m n ARG 16 N -4.23 4.35 -0.57 3.15 1.74 -1.05 -4.95 116.66 115.10 3h0m n ARG 16 Ca 0.03 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 3h0m n ARG 16 Cb 0.28 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 3h0m n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0m n GLY 17 N 0.76 0.42 0.35 -0.13 0.00 -1.01 -4.78 105.19 100.79 3h0m n GLY 17 Ca 0.26 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.46 3h0m n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 18 N 0.93 0.00 -4.55 1.61 5.08 -1.49 -3.41 114.58 112.75 3h0m h GLU 18 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3h0m h GLU 18 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 3h0m h GLU 18 CO 0.00 0.00 -0.71 0.54 -1.00 0.00 0.00 179.01 177.84 3h0m s VAL 19 N -4.69 0.57 0.12 3.13 0.11 -0.69 -5.02 120.40 113.92 3h0m s VAL 19 Ca -0.05 -1.59 0.06 0.00 -2.93 0.00 0.00 61.98 57.47 3h0m s VAL 19 Cb 0.16 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3h0m s VAL 19 CO 0.57 -0.70 -0.00 -0.94 -3.33 0.00 0.00 175.10 170.70 3h0m s SER 20 N -2.47 4.90 0.35 3.54 1.04 -1.26 -4.44 113.70 115.37 3h0m s SER 20 Ca 0.03 -0.27 0.13 0.00 0.48 0.00 0.00 55.95 56.32 3h0m s SER 20 Cb -0.00 -1.11 0.98 0.00 0.10 0.00 0.00 66.02 65.98 3h0m s SER 20 CO -0.03 0.14 1.75 -0.65 0.98 0.00 0.00 173.24 175.42 3h0m h PRO 21 N 3.15 0.49 -0.80 4.02 0.11 -1.89 -0.99 132.00 136.09 3h0m h PRO 21 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3h0m h PRO 21 Cb 1.18 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3h0m h PRO 21 CO 0.58 0.32 0.33 -0.22 -0.21 0.00 0.00 178.00 178.81 3h0m h LYS 22 N 0.50 1.18 -0.14 1.05 3.64 -1.90 -1.99 116.57 118.92 3h0m h LYS 22 Ca 0.62 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3h0m h LYS 22 Cb 1.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3h0m h LYS 22 CO -0.39 0.95 0.02 0.93 -2.27 0.00 0.00 179.45 178.69 3h0m h GLU 23 N 1.16 0.23 -0.43 1.90 5.08 -1.60 0.62 114.58 121.54 3h0m h GLU 23 Ca 0.27 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 3h0m h GLU 23 Cb 0.20 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 3h0m h GLU 23 CO -0.02 0.42 -0.20 0.28 -1.00 0.00 0.00 179.01 178.48 3h0m h VAL 24 N 0.01 0.40 -0.54 3.13 2.07 -1.33 0.38 116.25 120.37 3h0m h VAL 24 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3h0m h VAL 24 Cb 0.30 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3h0m h VAL 24 CO 0.00 0.00 0.23 0.58 0.02 0.00 0.00 177.57 178.40 3h0m h VAL 25 N -0.12 1.21 -0.59 2.57 2.07 -1.21 -2.33 116.25 117.86 3h0m h VAL 25 Ca 0.21 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3h0m h VAL 25 Cb 0.44 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3h0m h VAL 25 CO -0.50 0.25 0.33 -0.33 0.02 0.00 0.00 177.57 177.34 3h0m h GLU 26 N 0.72 0.62 0.16 1.57 5.08 -0.04 0.92 114.58 123.62 3h0m h GLU 26 Ca 0.18 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3h0m h GLU 26 Cb 0.18 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 26 CO -0.02 0.41 -0.36 1.03 -1.00 0.00 0.00 179.01 179.08 3h0m h SER 27 N 0.64 -1.03 -0.10 1.42 0.87 0.06 -0.55 113.55 114.85 3h0m h SER 27 Ca 0.25 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 3h0m h SER 27 Cb 0.10 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3h0m h SER 27 CO -0.14 -0.45 -0.08 -0.26 -0.53 0.00 0.00 176.83 175.36 3h0m h PHE 28 N -0.62 0.42 -0.70 2.24 0.04 -1.30 -2.22 116.94 114.80 3h0m h PHE 28 Ca 0.02 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3h0m h PHE 28 Cb 0.63 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3h0m h PHE 28 CO -0.30 0.48 0.41 -0.92 -0.60 0.00 0.00 178.31 177.38 3h0m h TYR 29 N 0.38 0.95 0.06 -0.55 3.20 -0.43 0.20 116.97 120.78 3h0m h TYR 29 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3h0m h TYR 29 Cb 0.39 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3h0m h TYR 29 CO 0.01 0.65 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.71 3h0m h ASP 30 N 0.96 -0.07 -0.97 -2.11 3.32 -0.59 0.22 116.42 117.18 3h0m h ASP 30 Ca 0.25 -0.20 0.13 0.00 0.02 0.00 0.00 57.03 57.24 3h0m h ASP 30 Cb 0.00 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 3h0m h ASP 30 CO -0.04 0.16 0.61 -0.09 -1.72 0.00 0.00 179.24 178.16 3h0m h ARG 31 N -0.30 0.87 -0.02 3.56 9.65 -1.24 0.40 114.38 127.31 3h0m h ARG 31 Ca -0.01 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3h0m h ARG 31 Cb 0.26 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 3h0m h ARG 31 CO 0.01 0.58 -0.08 -0.92 2.80 0.00 0.00 179.97 182.36 3h0m h TYR 32 N 0.90 -0.19 -0.77 2.20 3.20 -0.31 -1.80 116.97 120.19 3h0m h TYR 32 Ca 0.49 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.37 3h0m h TYR 32 Cb 0.58 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3h0m h TYR 32 CO -0.00 -0.12 0.48 -0.91 -1.64 0.00 0.00 178.16 175.97 3h0m h ASN 33 N -0.12 0.91 -0.65 -2.11 2.35 0.14 0.26 115.58 116.35 3h0m h ASN 33 Ca 0.04 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3h0m h ASN 33 Cb 0.17 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3h0m h ASN 33 CO -0.09 0.69 0.40 1.56 -1.65 0.00 0.00 177.43 178.34 3h0m h GLN 34 N 1.06 0.76 0.00 0.81 4.20 -0.11 -3.39 115.11 118.43 3h0m h GLN 34 Ca 0.28 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.72 3h0m h GLN 34 Cb -0.07 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.50 3h0m h GLN 34 CO -0.06 0.50 -1.83 -2.37 -0.67 0.00 0.00 178.83 174.41 3h0m n THR 35 N -4.71 0.83 -0.19 -0.54 5.66 -0.70 -4.68 114.28 109.95 3h0m n THR 35 Ca 0.07 -0.44 0.12 0.00 -3.05 0.00 0.00 64.05 60.74 3h0m n THR 35 Cb 0.09 -0.80 0.43 0.00 -1.55 0.00 0.00 70.33 68.50 3h0m n THR 35 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3h0m h GLU 36 N 0.00 0.55 -0.25 1.09 4.57 -0.71 -0.39 114.58 119.44 3h0m h GLU 36 Ca -0.33 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3h0m h GLU 36 Cb 1.66 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3h0m h GLU 36 CO -0.01 0.37 0.10 1.49 -1.18 0.00 0.00 179.01 179.78 3h0m h GLU 37 N 0.57 0.34 0.00 1.92 4.81 -1.83 0.13 114.58 120.52 3h0m h GLU 37 Ca 0.37 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3h0m h GLU 37 Cb 0.66 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3h0m h GLU 37 CO -0.14 0.28 -0.48 0.87 -0.73 0.00 0.00 179.01 178.81 3h0m h LYS 38 N 0.35 0.00 0.02 1.92 1.57 -1.43 -3.42 116.57 115.57 3h0m h LYS 38 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3h0m h LYS 38 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h0m h LYS 38 CO -0.01 0.94 -0.01 0.28 -0.57 0.00 0.00 179.45 180.08 3h0m h VAL 39 N -1.00 1.20 -4.73 0.50 2.07 -1.11 -3.42 116.25 109.75 3h0m h VAL 39 Ca -0.13 -1.79 -0.22 0.00 0.82 0.00 0.00 66.70 65.38 3h0m h VAL 39 Cb 1.07 2.22 0.13 0.00 -1.52 0.00 0.00 31.29 33.19 3h0m h VAL 39 CO -0.08 0.39 -0.59 0.29 0.02 0.00 0.00 177.57 177.60 3h0m n LYS 40 N -4.71 -3.64 0.10 1.57 5.02 0.44 -0.78 118.16 116.17 3h0m n LYS 40 Ca -0.07 0.63 -0.04 0.00 -2.02 0.00 0.00 58.31 56.81 3h0m n LYS 40 Cb 0.32 -4.87 0.14 0.00 -0.02 0.00 0.00 35.03 30.59 3h0m n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0m h ALA 41 N 0.38 0.89 -3.22 7.82 0.00 -1.87 -3.38 119.26 119.88 3h0m h ALA 41 Ca -0.44 -0.54 -0.66 0.00 0.00 0.00 0.00 54.91 53.27 3h0m h ALA 41 Cb 1.24 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3h0m h ALA 41 CO 0.35 0.73 -0.61 0.71 0.00 0.00 0.00 179.25 180.44 3h0m s TYR 42 N -3.74 3.18 -0.19 0.00 1.51 -1.26 0.78 117.35 117.63 3h0m s TYR 42 Ca -0.03 0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 3h0m s TYR 42 Cb 0.12 -1.69 -0.21 0.00 -0.11 0.00 0.00 41.96 40.07 3h0m s TYR 42 CO 0.79 0.51 0.27 0.82 -1.11 0.00 0.00 175.55 176.84 3h0m h ILE 43 N 3.23 0.90 -3.24 2.71 2.04 -0.31 -3.43 117.51 119.40 3h0m h ILE 43 Ca -0.49 -2.22 -0.58 0.00 1.00 0.00 0.00 64.86 62.57 3h0m h ILE 43 Cb 1.18 2.33 -0.40 0.00 -0.74 0.00 0.00 36.82 39.19 3h0m h ILE 43 CO 0.61 0.44 -0.76 -0.89 0.00 0.00 0.00 178.15 177.55 3h0m s THR 44 N -2.40 1.00 0.25 -0.27 2.01 -0.73 -4.98 115.64 110.53 3h0m s THR 44 Ca -0.27 -1.39 -0.30 0.00 0.31 0.00 0.00 61.69 60.04 3h0m s THR 44 Cb 0.06 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 3h0m s THR 44 CO 0.63 -0.59 1.16 -2.16 -0.69 0.00 0.00 174.62 172.97 3h0m s PRO 45 N 1.56 4.55 -0.09 4.92 0.04 -1.26 0.89 135.00 145.62 3h0m s PRO 45 Ca 0.08 1.88 0.14 0.00 0.04 0.00 0.00 61.00 63.14 3h0m s PRO 45 Cb -0.17 -3.19 0.29 0.00 0.04 0.00 0.00 34.50 31.46 3h0m s PRO 45 CO -0.21 0.06 1.14 1.28 0.04 0.00 0.00 177.00 179.30 3h0m n LEU 46 N 1.58 1.53 -0.24 -3.56 4.77 0.47 -4.80 117.00 116.75 3h0m n LEU 46 Ca 0.01 -2.51 -0.04 0.00 -0.03 0.00 0.00 56.01 53.43 3h0m n LEU 46 Cb 0.44 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3h0m n LEU 46 CO 0.55 0.73 1.06 1.88 -1.33 0.00 0.00 177.39 180.28 3h0m h TYR 47 N 0.52 1.09 -0.23 -1.77 -1.99 -1.81 0.14 116.97 112.92 3h0m h TYR 47 Ca -0.06 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 60.66 3h0m h TYR 47 Cb 1.33 -0.33 -0.07 0.00 2.00 0.00 0.00 36.73 39.65 3h0m h TYR 47 CO 0.27 0.82 -0.34 0.78 -0.00 0.00 0.00 178.16 179.70 3h0m h GLY 48 N 1.11 -0.41 1.49 3.88 0.00 -1.91 0.34 103.07 107.57 3h0m h GLY 48 Ca 0.25 0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.88 3h0m h GLY 48 CO -0.02 -0.21 -0.33 1.70 0.00 0.00 0.00 176.54 177.68 3h0m h LYS 49 N -0.35 0.57 -0.43 4.80 3.64 -1.79 -2.91 116.57 120.10 3h0m h LYS 49 Ca 0.12 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 3h0m h LYS 49 Cb 0.55 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3h0m h LYS 49 CO -0.43 0.83 -0.18 0.00 -2.27 0.00 0.00 179.45 177.40 3h0m h ALA 50 N 1.16 0.87 -0.49 5.00 0.00 -0.31 -1.42 119.26 124.07 3h0m h ALA 50 Ca 0.06 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.70 3h0m h ALA 50 Cb 0.80 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3h0m h ALA 50 CO 0.07 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.76 3h0m h LEU 51 N 0.73 -0.45 -0.54 0.00 4.07 -0.15 0.72 115.31 119.70 3h0m h LEU 51 Ca 0.11 0.15 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 3h0m h LEU 51 Cb 0.70 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 3h0m h LEU 51 CO 0.05 -0.16 -0.04 0.11 -1.08 0.00 0.00 178.44 177.32 3h0m h LYS 52 N 0.00 0.98 0.00 1.13 1.57 -1.35 -2.93 116.57 115.97 3h0m h LYS 52 Ca 0.23 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3h0m h LYS 52 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3h0m h LYS 52 CO -0.50 1.01 -0.21 1.96 -0.57 0.00 0.00 179.45 181.14 3h0m h GLN 53 N 0.86 0.00 -0.38 3.15 4.20 -0.81 -2.83 115.11 119.30 3h0m h GLN 53 Ca 0.15 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 3h0m h GLN 53 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3h0m h GLN 53 CO 0.04 0.21 -0.13 0.00 -0.67 0.00 0.00 178.83 178.28 3h0m h ALA 54 N 1.79 1.05 -0.97 3.87 0.00 -0.68 -3.08 119.26 121.25 3h0m h ALA 54 Ca -0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.68 3h0m h ALA 54 Cb 0.56 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3h0m h ALA 54 CO 0.03 0.58 0.62 0.93 0.00 0.00 0.00 179.25 181.41 3h0m h GLU 55 N 0.62 1.03 -0.04 0.00 5.08 -1.49 -1.89 114.58 117.90 3h0m h GLU 55 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h0m h GLU 55 Cb 0.58 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3h0m h GLU 55 CO 0.04 0.68 0.00 -1.13 -1.00 0.00 0.00 179.01 177.60 3h0m n SER 56 N -4.52 1.52 -4.65 1.42 3.41 -1.17 -4.83 113.62 104.80 3h0m n SER 56 Ca 0.16 -1.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.81 3h0m n SER 56 Cb 0.24 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3h0m n SER 56 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h0m s LEU 57 N -1.92 4.06 0.00 1.04 0.20 -0.71 -4.89 118.68 116.46 3h0m s LEU 57 Ca 0.37 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.37 3h0m s LEU 57 Cb 0.20 -3.41 0.00 0.00 -0.43 0.00 0.00 46.19 42.55 3h0m s LEU 57 CO 0.32 -0.66 0.00 0.29 -0.29 0.00 0.00 176.35 176.01 3h0m n LYS 58 N 6.33 0.00 -1.69 1.98 5.02 -1.26 -4.95 118.16 123.59 3h0m n LYS 58 Ca 0.10 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3h0m n LYS 58 Cb 0.47 -0.44 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 3h0m n LYS 58 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3h0m s GLU 59 N -1.95 2.64 0.37 1.97 0.41 -1.26 -4.86 118.70 116.02 3h0m s GLU 59 Ca 0.00 1.50 0.19 0.00 -0.41 0.00 0.00 54.97 56.25 3h0m s GLU 59 Cb 0.00 -4.44 0.63 0.00 -1.78 0.00 0.00 34.13 28.54 3h0m s GLU 59 CO 0.00 -2.66 1.71 0.00 -0.49 0.00 0.00 175.26 173.82 3h0m h ARG 60 N 16.73 0.00 0.00 1.61 3.08 -1.95 -3.23 114.38 130.63 3h0m h ARG 60 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3h0m h ARG 60 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3h0m h ARG 60 CO 1.09 0.38 0.00 0.39 -1.07 0.00 0.00 179.97 180.76 3h0m n GLU 61 N -3.49 0.09 -1.74 0.04 -0.58 -1.26 -4.65 120.64 109.05 3h0m n GLU 61 Ca 0.00 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 3h0m n GLU 61 Cb 0.53 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 3h0m n GLU 61 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h0m n LEU 62 N -1.44 4.31 -0.02 -4.62 4.32 -1.22 -4.87 117.00 113.45 3h0m n LEU 62 Ca 0.07 1.12 0.22 0.00 -0.02 0.00 0.00 56.01 57.39 3h0m n LEU 62 Cb 0.23 -1.60 0.70 0.00 -1.62 0.00 0.00 43.42 41.14 3h0m n LEU 62 CO 0.19 0.20 1.20 -0.65 -1.22 0.00 0.00 177.39 177.11 3h0m h PRO 63 N 5.50 0.00 -0.18 3.23 0.11 -1.87 0.56 132.00 139.35 3h0m h PRO 63 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3h0m h PRO 63 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 3h0m h PRO 63 CO 0.85 0.00 -0.58 1.28 -0.21 0.00 0.00 178.00 179.34 3h0m n LEU 64 N -4.31 3.22 -0.12 2.35 4.77 0.50 -4.99 117.00 118.42 3h0m n LEU 64 Ca 0.11 -4.09 -0.03 0.00 -0.03 0.00 0.00 56.01 51.97 3h0m n LEU 64 Cb 0.66 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3h0m n LEU 64 CO 0.37 1.57 0.16 0.33 -1.33 0.00 0.00 177.39 178.48 3h0m n PHE 65 N -1.01 -0.12 -1.11 -1.77 7.35 0.19 -1.39 117.46 119.59 3h0m n PHE 65 Ca 0.25 0.35 0.09 0.00 -0.76 0.00 0.00 57.45 57.38 3h0m n PHE 65 Cb 0.76 -0.47 0.17 0.00 0.35 0.00 0.00 39.48 40.29 3h0m n PHE 65 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h0m n GLY 66 N -1.07 4.78 3.64 7.13 0.00 -1.26 -4.38 105.19 114.03 3h0m n GLY 66 Ca 0.01 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3h0m n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0m s ILE 67 N -2.91 4.83 0.53 -0.61 -1.09 -0.49 -4.77 121.20 116.69 3h0m s ILE 67 Ca 0.34 1.57 -0.21 0.00 -2.23 0.00 0.00 60.65 60.12 3h0m s ILE 67 Cb 0.30 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 3h0m s ILE 67 CO 0.03 -0.08 1.26 -2.84 -1.23 0.00 0.00 174.94 172.08 3h0m s PRO 68 N 2.85 3.29 -0.14 2.79 0.02 -1.26 -0.24 135.00 142.31 3h0m s PRO 68 Ca 0.35 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 63.29 3h0m s PRO 68 Cb -0.15 -2.22 0.06 0.00 0.02 0.00 0.00 34.50 32.20 3h0m s PRO 68 CO 0.07 -0.99 0.34 -1.50 -0.33 0.00 0.00 177.00 174.59 3h0m s ILE 69 N -1.45 -0.11 0.45 2.83 2.07 -0.49 -4.43 121.20 120.07 3h0m s ILE 69 Ca 0.70 0.14 -0.14 0.00 -1.41 0.00 0.00 60.65 59.94 3h0m s ILE 69 Cb -0.34 -0.52 -0.08 0.00 0.13 0.00 0.00 42.46 41.66 3h0m s ILE 69 CO 0.40 0.06 0.88 0.00 -1.91 0.00 0.00 174.94 174.36 3h0m s ALA 70 N 1.53 3.20 -0.03 1.50 0.00 -1.13 -1.65 121.76 125.18 3h0m s ALA 70 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3h0m s ALA 70 Cb -0.10 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.12 3h0m s ALA 70 CO -0.11 -0.08 0.01 0.08 0.00 0.00 0.00 175.76 175.66 3h0m s VAL 71 N -2.45 0.09 0.35 0.00 1.01 -0.81 -1.70 120.40 116.89 3h0m s VAL 71 Ca 0.56 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 3h0m s VAL 71 Cb -0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 36.38 35.96 3h0m s VAL 71 CO 0.29 0.13 1.44 1.17 0.00 0.00 0.00 175.10 178.13 3h0m n LYS 72 N 4.21 2.50 -0.05 2.72 4.81 -0.92 -0.46 118.16 130.96 3h0m n LYS 72 Ca -0.26 0.88 -0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3h0m n LYS 72 Cb 0.50 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.99 3h0m n LYS 72 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3h0m n ASP 73 N 0.79 3.19 0.00 3.14 2.03 -0.96 -1.39 116.55 123.35 3h0m n ASP 73 Ca 0.03 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.29 3h0m n ASP 73 Cb 0.38 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 3h0m n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h0m n ASN 74 N 0.56 1.85 -4.50 1.67 6.94 -1.26 -0.11 115.26 120.41 3h0m n ASN 74 Ca 0.01 -1.87 -0.35 0.00 -0.02 0.00 0.00 54.58 52.35 3h0m n ASN 74 Cb 0.51 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.82 3h0m n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3h0m s ILE 75 N -0.87 4.27 -0.06 1.53 1.01 -0.48 -0.63 121.20 125.98 3h0m s ILE 75 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3h0m s ILE 75 Cb 0.00 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3h0m s ILE 75 CO 0.00 0.42 1.26 -0.76 0.00 0.00 0.00 174.94 175.86 3h0m s LEU 76 N 0.92 4.27 -0.20 2.97 1.02 -0.33 -4.91 118.68 122.43 3h0m s LEU 76 Ca 0.02 1.87 0.00 0.00 0.02 0.00 0.00 54.13 56.05 3h0m s LEU 76 Cb -0.14 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.54 3h0m s LEU 76 CO 0.02 -0.65 -0.16 -0.69 0.02 0.00 0.00 176.35 174.89 3h0m s VAL 77 N 2.47 2.28 0.28 -1.59 1.01 -1.26 -1.11 120.40 122.48 3h0m s VAL 77 Ca 0.58 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3h0m s VAL 77 Cb -0.26 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 3h0m s VAL 77 CO 0.22 0.44 1.31 -0.70 0.00 0.00 0.00 175.10 176.37 3h0m s GLU 78 N 1.29 4.37 0.00 2.72 2.12 -1.23 -2.45 118.70 125.52 3h0m s GLU 78 Ca 0.03 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.52 3h0m s GLU 78 Cb -0.14 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3h0m s GLU 78 CO -0.10 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 3h0m n GLY 79 N 1.46 3.28 3.58 -1.50 0.00 -0.34 -4.97 105.19 106.71 3h0m n GLY 79 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3h0m n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0m s GLU 80 N -0.60 2.11 0.33 1.61 0.41 -1.03 -4.80 118.70 116.73 3h0m s GLU 80 Ca 0.00 -1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 3h0m s GLU 80 Cb 0.00 -2.18 -0.12 0.00 -1.78 0.00 0.00 34.13 30.05 3h0m s GLU 80 CO 0.00 0.43 1.46 1.63 -0.49 0.00 0.00 175.26 178.29 3h0m n LYS 81 N -0.03 2.49 -3.98 1.61 5.02 -1.26 -2.16 118.16 119.84 3h0m n LYS 81 Ca -0.10 0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 3h0m n LYS 81 Cb 0.56 -2.58 -0.15 0.00 -0.02 0.00 0.00 35.03 32.83 3h0m n LYS 81 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h0m s THR 82 N -0.70 1.84 -0.37 -0.18 2.01 -0.76 -4.86 115.64 112.62 3h0m s THR 82 Ca 0.58 -1.57 0.21 0.00 0.31 0.00 0.00 61.69 61.22 3h0m s THR 82 Cb -0.52 -2.11 -0.29 0.00 0.01 0.00 0.00 72.50 69.60 3h0m s THR 82 CO 0.58 -0.20 0.60 0.35 -0.69 0.00 0.00 174.62 175.26 3h0m n THR 83 N 4.53 0.00 -2.27 -0.82 -2.24 -1.23 -4.64 114.28 107.61 3h0m n THR 83 Ca -0.09 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3h0m n THR 83 Cb 0.43 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3h0m n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0m n ALA 85 N -1.99 -1.08 -2.38 0.00 0.00 -1.26 -1.06 120.51 112.74 3h0m n ALA 85 Ca -0.08 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 3h0m n ALA 85 Cb 0.51 -3.52 -0.14 0.00 0.00 0.00 0.00 19.45 16.30 3h0m n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0m s SER 86 N -2.83 3.41 0.49 0.00 0.15 0.15 -1.42 113.70 113.65 3h0m s SER 86 Ca 0.42 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 56.77 3h0m s SER 86 Cb -0.21 -0.46 1.18 0.00 -1.71 0.00 0.00 66.02 64.81 3h0m s SER 86 CO 0.52 0.29 2.09 0.11 1.20 0.00 0.00 173.24 177.45 3h0m h LYS 87 N 5.04 0.00 0.00 5.44 1.79 -1.84 -1.85 116.57 125.16 3h0m h LYS 87 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3h0m h LYS 87 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3h0m h LYS 87 CO 0.47 0.07 0.00 1.51 -1.08 0.00 0.00 179.45 180.41 3h0m n ILE 88 N -4.45 0.74 -1.34 1.86 3.06 -0.82 -3.19 119.36 115.21 3h0m n ILE 88 Ca -0.03 0.11 0.02 0.00 -2.50 0.00 0.00 62.75 60.35 3h0m n ILE 88 Cb 0.15 -0.95 0.03 0.00 0.54 0.00 0.00 39.64 39.41 3h0m n ILE 88 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3h0m n LEU 89 N -2.02 0.81 -4.76 9.51 4.32 -1.03 -1.66 117.00 122.16 3h0m n LEU 89 Ca 0.04 -1.43 -0.40 0.00 -0.02 0.00 0.00 56.01 54.20 3h0m n LEU 89 Cb 0.27 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.92 3h0m n LEU 89 CO 0.21 0.34 0.77 -1.83 -1.22 0.00 0.00 177.39 175.66 3h0m s GLU 90 N -0.83 4.57 0.00 3.23 -1.05 -0.72 -2.53 118.70 121.38 3h0m s GLU 90 Ca 0.08 1.73 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 3h0m s GLU 90 Cb 0.07 -3.08 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 3h0m s GLU 90 CO 0.01 0.17 0.00 0.09 0.95 0.00 0.00 175.26 176.48 3h0m n ASN 91 N 0.99 0.00 -4.61 0.83 3.02 -1.26 -4.68 115.26 109.54 3h0m n ASN 91 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3h0m n ASN 91 Cb 0.46 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 3h0m n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3h0m s PHE 92 N -3.48 2.50 -0.15 3.10 5.36 -1.05 -4.91 117.98 119.35 3h0m s PHE 92 Ca 0.00 0.74 -0.20 0.00 -0.96 0.00 0.00 56.93 56.51 3h0m s PHE 92 Cb 0.00 -4.16 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 3h0m s PHE 92 CO 0.00 -1.91 0.55 0.08 -1.46 0.00 0.00 175.22 172.49 3h0m s VAL 93 N 5.02 5.11 -0.05 3.12 1.01 -1.26 -1.83 120.40 131.52 3h0m s VAL 93 Ca 0.59 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 3h0m s VAL 93 Cb -0.15 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3h0m s VAL 93 CO 0.29 0.23 1.59 0.00 0.00 0.00 0.00 175.10 177.22 3h0m s ALA 94 N 1.16 3.62 -1.30 5.51 0.00 -0.92 -4.89 121.76 124.95 3h0m s ALA 94 Ca 0.28 0.91 0.26 0.00 0.00 0.00 0.00 51.96 53.41 3h0m s ALA 94 Cb -0.16 -3.71 1.26 0.00 0.00 0.00 0.00 23.12 20.51 3h0m s ALA 94 CO 0.11 -1.30 1.87 -2.30 0.00 0.00 0.00 175.76 174.15 3h0m n PRO 95 N 6.75 0.27 -3.59 0.00 -0.02 -1.26 -1.20 135.00 135.95 3h0m n PRO 95 Ca 0.16 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 3h0m n PRO 95 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3h0m n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h0m s TYR 96 N -2.70 -0.32 0.04 6.00 1.13 -1.26 -4.93 117.35 115.31 3h0m s TYR 96 Ca 0.21 0.03 -0.24 0.00 -1.41 0.00 0.00 57.07 55.67 3h0m s TYR 96 Cb 0.17 0.44 -0.06 0.00 -1.10 0.00 0.00 41.96 41.42 3h0m s TYR 96 CO 0.42 -0.85 0.72 -0.51 -2.51 0.00 0.00 175.55 172.82 3h0m s ASP 97 N -2.81 7.16 0.60 -0.18 1.01 -1.26 -3.56 116.67 117.63 3h0m s ASP 97 Ca 0.04 1.38 -0.19 0.00 0.71 0.00 0.00 52.55 54.49 3h0m s ASP 97 Cb -0.01 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3h0m s ASP 97 CO -0.09 0.05 1.09 0.00 0.21 0.00 0.00 175.17 176.43 3h0m n ALA 98 N 2.73 0.57 -0.22 5.23 0.00 -0.26 -4.81 120.51 123.75 3h0m n ALA 98 Ca -0.04 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3h0m n ALA 98 Cb 0.50 -2.19 0.31 0.00 0.00 0.00 0.00 19.45 18.08 3h0m n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h0m h THR 99 N 0.62 1.04 -0.57 0.00 2.02 -1.43 -1.96 112.91 112.62 3h0m h THR 99 Ca -0.49 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 3h0m h THR 99 Cb 1.35 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3h0m h THR 99 CO 0.52 0.15 -0.00 -0.37 0.37 0.00 0.00 175.52 176.20 3h0m h VAL 100 N 0.85 1.26 -0.69 3.16 -1.51 -1.87 -1.72 116.25 115.73 3h0m h VAL 100 Ca 0.34 -1.13 -0.06 0.00 -1.23 0.00 0.00 66.70 64.61 3h0m h VAL 100 Cb 0.24 0.85 -0.03 0.00 -2.13 0.00 0.00 31.29 30.22 3h0m h VAL 100 CO -0.12 0.41 0.19 0.40 -1.23 0.00 0.00 177.57 177.22 3h0m h ILE 101 N 0.90 1.26 -0.77 7.19 1.08 -1.74 0.17 117.51 125.60 3h0m h ILE 101 Ca 0.16 -0.93 -0.04 0.00 -0.39 0.00 0.00 64.86 63.67 3h0m h ILE 101 Cb 0.55 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 3h0m h ILE 101 CO 0.03 0.36 0.34 -0.08 -0.69 0.00 0.00 178.15 178.11 3h0m h GLU 102 N 1.04 1.13 -0.12 2.37 4.81 -1.15 -0.58 114.58 122.07 3h0m h GLU 102 Ca 0.22 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 3h0m h GLU 102 Cb 0.34 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3h0m h GLU 102 CO -0.00 0.89 -0.68 0.00 -0.73 0.00 0.00 179.01 178.48 3h0m h ARG 103 N 1.11 0.50 -0.08 1.92 3.08 -0.50 -1.90 114.38 118.51 3h0m h ARG 103 Ca 0.26 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3h0m h ARG 103 Cb 0.16 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3h0m h ARG 103 CO -0.03 1.00 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.80 3h0m h LEU 104 N 0.35 0.14 -0.82 3.04 3.38 -0.52 -2.38 115.31 118.51 3h0m h LEU 104 Ca -0.02 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3h0m h LEU 104 Cb 1.26 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3h0m h LEU 104 CO 0.12 0.43 0.50 0.11 0.09 0.00 0.00 178.44 179.69 3h0m h LYS 105 N -0.14 0.88 0.00 1.13 1.57 -1.09 0.14 116.57 119.06 3h0m h LYS 105 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3h0m h LYS 105 Cb 0.35 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3h0m h LYS 105 CO 0.00 0.58 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.21 3h0m h LYS 106 N 0.90 0.00 -0.27 3.15 3.64 -1.32 -2.29 116.57 120.38 3h0m h LYS 106 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3h0m h LYS 106 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3h0m h LYS 106 CO -0.18 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.04 3h0m n ALA 107 N -2.13 2.47 -0.25 5.00 0.00 0.43 -4.93 120.51 121.10 3h0m n ALA 107 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3h0m n ALA 107 Cb 0.27 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3h0m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 108 N 1.30 0.88 3.67 0.00 0.00 -0.86 -0.37 105.19 109.81 3h0m n GLY 108 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h0m n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0m s ALA 109 N -2.66 1.36 -0.21 4.61 0.00 -0.76 -4.20 121.76 119.90 3h0m s ALA 109 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3h0m s ALA 109 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 3h0m s ALA 109 CO 0.00 -2.65 -0.06 -0.51 0.00 0.00 0.00 175.76 172.54 3h0m s LEU 110 N -6.49 2.23 -0.27 0.00 1.43 0.67 -4.59 118.68 111.66 3h0m s LEU 110 Ca 0.65 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3h0m s LEU 110 Cb -0.21 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 3h0m s LEU 110 CO 0.58 -0.20 1.56 -0.63 0.23 0.00 0.00 176.35 177.89 3h0m s ILE 111 N 1.46 3.77 -2.31 -0.59 1.09 -1.26 -1.39 121.20 121.97 3h0m s ILE 111 Ca -0.03 0.85 0.21 0.00 -1.10 0.00 0.00 60.65 60.58 3h0m s ILE 111 Cb -0.17 -3.84 0.09 0.00 -1.06 0.00 0.00 42.46 37.48 3h0m s ILE 111 CO -0.07 -0.39 1.10 1.33 -0.10 0.00 0.00 174.94 176.81 3h0m n VAL 112 N 6.57 0.00 0.00 2.92 0.24 -0.66 -4.54 118.33 122.86 3h0m n VAL 112 Ca 0.18 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3h0m n VAL 112 Cb 0.46 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 3h0m n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h0m n GLY 113 N 1.26 1.45 3.40 7.63 0.00 -1.26 -0.39 105.19 117.28 3h0m n GLY 113 Ca 0.11 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3h0m n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0m s LYS 114 N -2.00 3.48 0.01 1.61 -0.14 0.26 -1.92 119.74 121.04 3h0m s LYS 114 Ca 0.00 -0.61 -0.02 0.00 -1.36 0.00 0.00 55.97 53.98 3h0m s LYS 114 Cb 0.00 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 3h0m s LYS 114 CO 0.00 0.14 0.19 -0.08 -0.76 0.00 0.00 175.35 174.83 3h0m s THR 115 N 0.60 5.39 0.73 2.17 -1.32 0.39 0.39 115.64 123.99 3h0m s THR 115 Ca -0.05 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.08 3h0m s THR 115 Cb -0.15 -3.55 0.03 0.00 -1.51 0.00 0.00 72.50 67.32 3h0m s THR 115 CO 0.03 0.28 1.09 0.21 -2.21 0.00 0.00 174.62 174.02 3h0m s ASN 116 N -2.09 4.80 0.21 8.08 2.47 0.23 -2.27 114.94 126.37 3h0m s ASN 116 Ca 0.29 1.87 -0.20 0.00 0.42 0.00 0.00 52.86 55.23 3h0m s ASN 116 Cb -0.13 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.18 3h0m s ASN 116 CO 0.21 -1.84 0.61 -1.48 -3.72 0.00 0.00 177.10 170.88 3h0m s LEU 117 N -5.51 -0.24 0.51 3.21 0.05 -1.26 -2.48 118.68 112.96 3h0m s LEU 117 Ca 0.63 -0.38 -0.22 0.00 0.05 0.00 0.00 54.13 54.21 3h0m s LEU 117 Cb -0.18 2.48 -0.06 0.00 -2.05 0.00 0.00 46.19 46.39 3h0m s LEU 117 CO 0.51 -1.13 1.26 -1.81 -0.55 0.00 0.00 176.35 174.63 3h0m s ASP 118 N -2.85 5.63 0.13 1.48 1.01 -1.15 -3.18 116.67 117.74 3h0m s ASP 118 Ca 0.07 2.54 -0.31 0.00 0.71 0.00 0.00 52.55 55.56 3h0m s ASP 118 Cb -0.03 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 3h0m s ASP 118 CO -0.03 -1.31 1.82 1.21 0.21 0.00 0.00 175.17 177.08 3h0m n GLU 119 N -0.86 2.78 -1.95 8.23 2.13 -0.97 -0.70 120.64 129.30 3h0m n GLU 119 Ca 0.09 1.01 -0.17 0.00 0.66 0.00 0.00 57.16 58.75 3h0m n GLU 119 Cb 0.47 -2.90 -0.04 0.00 0.27 0.00 0.00 31.44 29.24 3h0m n GLU 119 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3h0m n PHE 120 N 5.40 -0.68 -1.27 4.31 3.72 -0.23 -2.50 117.46 126.21 3h0m n PHE 120 Ca 0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.52 3h0m n PHE 120 Cb 0.37 -3.24 -0.02 0.00 -0.94 0.00 0.00 39.48 35.64 3h0m n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h0m n ALA 121 N -0.56 -0.10 -3.59 4.37 0.00 0.12 -4.79 120.51 115.96 3h0m n ALA 121 Ca -0.19 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 3h0m n ALA 121 Cb 0.61 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 3h0m n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h0m s MET 122 N -2.70 2.35 0.00 0.00 -1.94 -1.04 -4.66 119.30 111.32 3h0m s MET 122 Ca 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 3h0m s MET 122 Cb 0.00 -3.80 0.00 0.00 2.01 0.00 0.00 34.83 33.04 3h0m s MET 122 CO 0.00 -1.12 0.00 0.41 -0.01 0.00 0.00 175.02 174.30 3h0m n GLY 123 N 4.81 1.75 0.21 -0.03 0.00 -1.26 -4.55 105.19 106.12 3h0m n GLY 123 Ca -0.07 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.54 3h0m n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 124 N 0.00 1.85 0.00 1.61 7.64 -1.26 -2.46 113.62 121.00 3h0m n SER 124 Ca 0.00 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.96 3h0m n SER 124 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3h0m n SER 124 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h0m n SER 125 N -1.12 0.00 0.00 6.43 3.41 -1.22 -1.09 113.62 120.02 3h0m n SER 125 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3h0m n SER 125 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3h0m n SER 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0m n THR 126 N 0.00 0.00 0.30 6.66 -1.04 -1.12 -4.02 114.28 115.06 3h0m n THR 126 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 3h0m n THR 126 Cb 0.00 -0.00 1.00 0.00 -1.82 0.00 0.00 70.33 69.51 3h0m n THR 126 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h0m h GLU 127 N 2.12 0.00 -0.15 -2.82 5.08 -1.90 -1.52 114.58 115.39 3h0m h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0m h GLU 127 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 127 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3h0m n TYR 128 N -3.28 0.19 -1.64 4.33 4.01 -1.26 -4.78 117.16 114.73 3h0m n TYR 128 Ca -0.02 -0.09 -0.49 0.00 -0.16 0.00 0.00 57.90 57.14 3h0m n TYR 128 Cb 0.21 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 3h0m n TYR 128 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h0m n SER 129 N 0.13 2.51 0.05 7.72 2.88 -0.57 -2.28 113.62 124.06 3h0m n SER 129 Ca 0.15 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 3h0m n SER 129 Cb 0.27 -1.32 0.39 0.00 -0.75 0.00 0.00 64.21 62.81 3h0m n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0m n ALA 130 N 3.34 1.70 -0.12 -1.46 0.00 -0.51 -3.96 120.51 119.50 3h0m n ALA 130 Ca 0.18 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 3h0m n ALA 130 Cb 0.24 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 3h0m n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h0m n PHE 131 N -1.79 0.00 -3.61 0.00 3.72 -1.26 -4.93 117.46 109.59 3h0m n PHE 131 Ca 0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.38 3h0m n PHE 131 Cb 0.20 -0.85 -0.04 0.00 -0.94 0.00 0.00 39.48 37.86 3h0m n PHE 131 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3h0m s PHE 132 N -2.43 -0.16 0.24 1.38 -0.71 -1.25 -5.16 117.98 109.88 3h0m s PHE 132 Ca -0.33 0.24 -0.30 0.00 -1.04 0.00 0.00 56.93 55.51 3h0m s PHE 132 Cb 0.12 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.33 3h0m s PHE 132 CO 0.43 -0.17 1.10 -1.25 -1.34 0.00 0.00 175.22 173.99 3h0m s PRO 133 N -1.39 4.62 0.30 1.99 0.04 -1.26 -4.69 135.00 134.61 3h0m s PRO 133 Ca 0.06 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 3h0m s PRO 133 Cb -0.01 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3h0m s PRO 133 CO -0.04 0.16 0.83 0.99 0.04 0.00 0.00 177.00 178.97 3h0m s THR 134 N -0.80 4.46 -0.01 1.26 2.01 -1.26 -4.82 115.64 116.47 3h0m s THR 134 Ca 0.46 1.41 0.05 0.00 0.31 0.00 0.00 61.69 63.92 3h0m s THR 134 Cb -0.31 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3h0m s THR 134 CO 0.39 0.03 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.67 3h0m s LYS 135 N -2.37 2.38 -0.18 4.92 1.02 0.04 -4.38 119.74 121.17 3h0m s LYS 135 Ca 0.50 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 3h0m s LYS 135 Cb -0.15 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3h0m s LYS 135 CO 0.20 0.59 1.81 1.21 -0.92 0.00 0.00 175.35 178.24 3h0m s ASN 136 N -1.08 6.19 0.16 2.83 3.84 0.05 -4.73 114.94 122.20 3h0m s ASN 136 Ca 0.14 1.85 0.10 0.00 0.21 0.00 0.00 52.86 55.16 3h0m s ASN 136 Cb -0.11 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.61 3h0m s ASN 136 CO 0.03 -1.38 1.28 -0.81 -2.79 0.00 0.00 177.10 173.43 3h0m n PRO 137 N 7.89 0.06 0.02 0.43 -0.04 -1.26 -0.98 135.00 141.12 3h0m n PRO 137 Ca 0.21 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.33 3h0m n PRO 137 Cb 0.44 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3h0m n PRO 137 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h0m n TRP 138 N -1.84 0.17 -3.15 0.54 7.02 -1.26 -4.11 117.44 114.81 3h0m n TRP 138 Ca -0.01 0.05 0.05 0.00 -1.02 0.00 0.00 57.50 56.57 3h0m n TRP 138 Cb 0.06 -0.34 -0.00 0.00 -2.42 0.00 0.00 31.31 28.60 3h0m n TRP 138 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h0m s ASP 139 N -3.73 -0.83 0.00 -0.99 -1.08 -0.16 -4.92 116.67 104.96 3h0m s ASP 139 Ca 0.04 0.19 0.11 0.00 -0.52 0.00 0.00 52.55 52.37 3h0m s ASP 139 Cb 0.15 1.57 0.57 0.00 -1.46 0.00 0.00 42.92 43.74 3h0m s ASP 139 CO 0.82 -0.15 1.18 0.18 0.52 0.00 0.00 175.17 177.71 3h0m n LEU 140 N 5.28 0.00 -0.03 -1.34 4.77 -0.87 0.48 117.00 125.29 3h0m n LEU 140 Ca 0.05 0.19 0.15 0.00 -0.03 0.00 0.00 56.01 56.36 3h0m n LEU 140 Cb 0.56 -0.19 0.70 0.00 -2.33 0.00 0.00 43.42 42.16 3h0m n LEU 140 CO -0.11 -0.12 0.96 -0.62 -1.33 0.00 0.00 177.39 176.17 3h0m n GLU 141 N -1.19 0.47 -4.38 3.23 1.02 -1.26 -4.70 120.64 113.83 3h0m n GLU 141 Ca 0.06 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 3h0m n GLU 141 Cb 0.07 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 3h0m n GLU 141 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3h0m s ARG 142 N -2.57 1.86 0.38 3.49 0.52 0.18 -3.23 118.95 119.56 3h0m s ARG 142 Ca 0.28 -1.50 -0.20 0.00 -0.52 0.00 0.00 55.73 53.78 3h0m s ARG 142 Cb 0.20 -1.97 -0.10 0.00 0.52 0.00 0.00 34.95 33.60 3h0m s ARG 142 CO 0.47 0.38 0.87 0.14 0.02 0.00 0.00 175.30 177.19 3h0m s VAL 143 N -2.04 4.47 -2.33 3.52 -7.23 -0.70 -0.77 120.40 115.32 3h0m s VAL 143 Ca 0.26 1.35 0.25 0.00 -1.81 0.00 0.00 61.98 62.04 3h0m s VAL 143 Cb -0.07 -3.66 0.55 0.00 0.56 0.00 0.00 36.38 33.76 3h0m s VAL 143 CO 0.15 -0.20 1.71 -0.81 -0.31 0.00 0.00 175.10 175.63 3h0m n PRO 144 N -0.36 1.58 0.00 4.82 -0.04 -1.26 -4.48 135.00 135.26 3h0m n PRO 144 Ca 0.05 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 3h0m n PRO 144 Cb 0.53 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3h0m n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0m n GLY 145 N 1.11 -3.82 3.59 0.55 0.00 -1.26 -4.37 105.19 101.00 3h0m n GLY 145 Ca 0.18 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3h0m n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0m s GLY 146 N -0.53 -0.40 0.16 -0.02 0.00 -0.25 -2.80 107.32 103.48 3h0m s GLY 146 Ca 0.00 0.33 0.21 0.00 0.00 0.00 0.00 44.72 45.26 3h0m s GLY 146 CO 0.00 0.11 0.98 1.48 0.00 0.00 0.00 173.10 175.67 3h0m h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.59 -3.38 113.55 116.86 3h0m h SER 147 Ca -0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3h0m h SER 147 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3h0m h SER 147 CO 0.31 0.18 0.05 -1.20 -0.87 0.00 0.00 176.83 175.30 3h0m n SER 148 N -2.75 2.33 -0.06 4.97 7.64 -0.97 -2.95 113.62 121.83 3h0m n SER 148 Ca -0.03 -1.76 -0.12 0.00 1.01 0.00 0.00 58.87 57.97 3h0m n SER 148 Cb 0.64 -0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 3h0m n SER 148 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h0m h GLY 149 N 4.49 -0.70 1.87 0.23 0.00 -1.71 -2.48 103.07 104.78 3h0m h GLY 149 Ca 0.04 0.56 -0.06 0.00 0.00 0.00 0.00 47.33 47.86 3h0m h GLY 149 CO 0.18 -0.20 -0.23 -1.33 0.00 0.00 0.00 176.54 174.96 3h0m h GLY 150 N -0.43 0.17 1.94 4.60 0.00 -1.69 -1.16 103.07 106.50 3h0m h GLY 150 Ca 0.10 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 3h0m h GLY 150 CO -0.49 0.11 -0.82 1.76 0.00 0.00 0.00 176.54 177.10 3h0m h SER 151 N 0.14 0.07 0.12 0.19 0.02 -1.71 -1.59 113.55 110.80 3h0m h SER 151 Ca 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3h0m h SER 151 Cb 0.49 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3h0m h SER 151 CO 0.03 0.85 -0.06 0.00 -1.14 0.00 0.00 176.83 176.52 3h0m h ALA 152 N 1.14 -0.16 -0.30 3.77 0.00 -1.22 -3.23 119.26 119.26 3h0m h ALA 152 Ca -0.02 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3h0m h ALA 152 Cb 1.43 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3h0m h ALA 152 CO 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.14 3h0m h ALA 153 N -0.19 0.29 0.00 0.00 0.00 -1.22 0.11 119.26 118.25 3h0m h ALA 153 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3h0m h ALA 153 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3h0m h ALA 153 CO 0.03 -0.38 -0.19 0.66 0.00 0.00 0.00 179.25 179.37 3h0m h SER 154 N 0.12 0.00 0.92 0.00 4.64 -1.44 -0.19 113.55 117.60 3h0m h SER 154 Ca 0.14 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 3h0m h SER 154 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3h0m h SER 154 CO -0.22 0.19 -0.87 0.58 -0.87 0.00 0.00 176.83 175.64 3h0m h VAL 155 N 0.00 1.60 0.06 0.95 2.07 -1.28 -1.38 116.25 118.26 3h0m h VAL 155 Ca -0.00 -3.00 -0.00 0.00 0.82 0.00 0.00 66.70 64.51 3h0m h VAL 155 Cb 0.33 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3h0m h VAL 155 CO 0.02 0.85 -0.03 0.00 0.02 0.00 0.00 177.57 178.44 3h0m h ALA 156 N 1.13 -0.07 0.00 1.67 0.00 0.61 -3.04 119.26 119.55 3h0m h ALA 156 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h0m h ALA 156 Cb 1.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3h0m h ALA 156 CO 0.11 -0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.30 3h0m n VAL 157 N -4.98 0.49 -2.37 0.00 0.24 -0.23 -4.42 118.33 107.07 3h0m n VAL 157 Ca -0.08 0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 3h0m n VAL 157 Cb 0.18 -0.73 -0.00 0.00 -1.47 0.00 0.00 33.84 31.82 3h0m n VAL 157 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h0m n LEU 158 N -1.81 -1.79 0.05 1.34 4.77 -0.61 -4.89 117.00 114.04 3h0m n LEU 158 Ca 0.05 -0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3h0m n LEU 158 Cb 0.31 -2.24 0.37 0.00 -2.33 0.00 0.00 43.42 39.53 3h0m n LEU 158 CO 0.24 -0.10 0.77 -1.54 -1.33 0.00 0.00 177.39 175.43 3h0m n SER 159 N -0.91 0.23 -3.75 -1.43 3.41 -0.65 -4.64 113.62 105.89 3h0m n SER 159 Ca -0.16 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3h0m n SER 159 Cb 0.63 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 3h0m n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0m s ALA 160 N -3.11 -0.87 0.07 7.33 0.00 -1.04 -4.71 121.76 119.44 3h0m s ALA 160 Ca 0.06 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.68 3h0m s ALA 160 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3h0m s ALA 160 CO 0.31 -0.24 1.39 -1.00 0.00 0.00 0.00 175.76 176.21 3h0m h PRO 161 N 4.27 0.00 -3.71 0.00 0.13 -1.82 -3.33 132.00 127.54 3h0m h PRO 161 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 3h0m h PRO 161 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 3h0m h PRO 161 CO 0.37 0.79 -0.38 0.54 -0.23 0.00 0.00 178.00 179.09 3h0m s VAL 162 N -2.93 0.13 0.04 1.56 0.11 -1.26 -4.32 120.40 113.73 3h0m s VAL 162 Ca 0.01 -1.07 -0.20 0.00 -2.93 0.00 0.00 61.98 57.80 3h0m s VAL 162 Cb 0.10 -1.17 0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3h0m s VAL 162 CO 0.79 -0.59 0.46 -0.55 -3.33 0.00 0.00 175.10 171.88 3h0m s SER 163 N -2.55 -0.35 -0.12 3.54 0.15 -0.54 -2.82 113.70 111.01 3h0m s SER 163 Ca 0.01 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 3h0m s SER 163 Cb 0.03 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 3h0m s SER 163 CO -0.08 -0.68 -0.06 -0.76 1.20 0.00 0.00 173.24 172.85 3h0m s LEU 164 N -1.97 3.15 0.00 3.45 1.02 -0.69 -0.93 118.68 122.71 3h0m s LEU 164 Ca -0.05 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 53.98 3h0m s LEU 164 Cb -0.01 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.47 3h0m s LEU 164 CO -0.02 0.23 0.02 0.61 0.02 0.00 0.00 176.35 177.22 3h0m n GLY 165 N 3.09 3.98 3.16 -3.19 0.00 -0.67 -2.16 105.19 109.39 3h0m n GLY 165 Ca -0.18 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 3h0m n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0m s SER 166 N -1.33 1.41 -0.22 1.61 1.04 -1.26 -1.08 113.70 113.86 3h0m s SER 166 Ca 0.03 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 3h0m s SER 166 Cb 0.00 0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.18 3h0m s SER 166 CO 0.02 -0.21 -0.02 -0.62 0.98 0.00 0.00 173.24 173.39 3h0m s ASP 167 N -2.17 3.49 -0.22 7.02 -1.08 0.15 -3.50 116.67 120.36 3h0m s ASP 167 Ca 0.02 -1.04 0.08 0.00 -0.52 0.00 0.00 52.55 51.08 3h0m s ASP 167 Cb -0.05 -0.95 -0.19 0.00 -1.46 0.00 0.00 42.92 40.27 3h0m s ASP 167 CO 0.01 -0.26 -0.10 0.41 0.52 0.00 0.00 175.17 175.74 3h0m n THR 168 N 4.82 1.33 -2.74 1.71 -1.04 -1.26 -2.15 114.28 114.95 3h0m n THR 168 Ca -0.11 -0.63 -0.02 0.00 -2.04 0.00 0.00 64.05 61.25 3h0m n THR 168 Cb 0.45 -1.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.05 3h0m n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h0m n GLY 169 N 2.16 1.88 0.00 3.41 0.00 -1.26 -4.67 105.19 106.71 3h0m n GLY 169 Ca -0.37 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3h0m n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0m n GLY 170 N -1.07 1.53 0.00 -0.02 0.00 -1.26 -3.74 105.19 100.63 3h0m n GLY 170 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3h0m n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 171 N 0.00 0.00 -0.13 1.61 7.64 -1.26 -1.15 113.62 120.33 3h0m n SER 171 Ca 0.00 0.14 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 3h0m n SER 171 Cb 0.00 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 3h0m n SER 171 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3h0m n ILE 172 N -1.35 1.46 -0.11 0.44 5.41 -1.23 -2.29 119.36 121.69 3h0m n ILE 172 Ca 0.09 -0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.44 3h0m n ILE 172 Cb 0.19 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.19 3h0m n ILE 172 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h0m h ARG 173 N -0.95 0.50 -0.28 0.38 3.08 -1.73 -0.78 114.38 114.60 3h0m h ARG 173 Ca -0.58 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.35 3h0m h ARG 173 Cb 1.50 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3h0m h ARG 173 CO -0.35 0.45 -0.00 0.37 -1.07 0.00 0.00 179.97 179.36 3h0m h GLN 174 N 0.43 0.50 -0.84 0.04 -0.00 -1.44 -0.01 115.11 113.79 3h0m h GLN 174 Ca 0.12 -0.16 0.03 0.00 -0.00 0.00 0.00 58.65 58.64 3h0m h GLN 174 Cb 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.50 3h0m h GLN 174 CO -0.02 0.66 0.55 -1.35 0.00 0.00 0.00 178.83 178.68 3h0m h PRO 175 N 0.29 1.02 -0.83 -2.39 0.11 -1.74 -1.33 132.00 127.13 3h0m h PRO 175 Ca 0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3h0m h PRO 175 Cb 0.44 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 3h0m h PRO 175 CO 0.02 0.68 0.52 0.00 -0.21 0.00 0.00 178.00 179.00 3h0m h ALA 176 N 1.51 1.35 0.23 -0.75 0.00 -0.61 -0.41 119.26 120.57 3h0m h ALA 176 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3h0m h ALA 176 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3h0m h ALA 176 CO -0.10 0.58 -0.11 1.03 0.00 0.00 0.00 179.25 180.65 3h0m h SER 177 N 1.14 -0.26 -0.52 0.00 0.87 -0.41 -0.47 113.55 113.90 3h0m h SER 177 Ca 0.30 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3h0m h SER 177 Cb -0.07 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3h0m h SER 177 CO -0.06 0.14 0.35 -0.26 -0.53 0.00 0.00 176.83 176.47 3h0m h PHE 178 N -0.72 0.38 -0.25 2.24 -1.00 -1.15 -2.53 116.94 113.91 3h0m h PHE 178 Ca -0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3h0m h PHE 178 Cb 0.49 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.93 3h0m h PHE 178 CO 0.04 0.19 0.00 0.00 -1.61 0.00 0.00 178.31 176.93 3h0m n GLY 180 N 1.44 -0.13 3.30 0.00 0.00 -0.83 -4.75 105.19 104.22 3h0m n GLY 180 Ca 0.17 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3h0m n GLY 180 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h0m s VAL 181 N -3.24 0.95 0.18 1.61 -7.23 -0.24 -4.89 120.40 107.53 3h0m s VAL 181 Ca 0.24 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 3h0m s VAL 181 Cb -0.11 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 3h0m s VAL 181 CO 0.53 -0.38 1.03 -0.63 -0.31 0.00 0.00 175.10 175.33 3h0m s ILE 182 N -3.48 4.06 -0.09 -0.62 1.01 0.00 -4.30 121.20 117.79 3h0m s ILE 182 Ca 0.27 1.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.71 3h0m s ILE 182 Cb 0.06 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.40 3h0m s ILE 182 CO 0.07 0.34 0.20 -0.83 0.00 0.00 0.00 174.94 174.72 3h0m s GLY 183 N -0.36 -0.09 -0.03 6.18 0.00 -0.65 -1.32 107.32 111.05 3h0m s GLY 183 Ca 0.46 0.85 0.07 0.00 0.00 0.00 0.00 44.72 46.10 3h0m s GLY 183 CO 0.33 1.16 -0.24 -1.50 0.00 0.00 0.00 173.10 172.85 3h0m s ILE 184 N 1.26 2.18 -0.26 0.90 2.07 -0.25 -1.16 121.20 125.95 3h0m s ILE 184 Ca -0.09 -1.05 -0.04 0.00 -1.41 0.00 0.00 60.65 58.06 3h0m s ILE 184 Cb -0.11 -1.77 0.01 0.00 0.13 0.00 0.00 42.46 40.72 3h0m s ILE 184 CO -0.07 0.58 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.77 3h0m s LYS 185 N -0.57 3.04 1.09 3.50 2.20 -0.67 -2.29 119.74 126.05 3h0m s LYS 185 Ca 0.09 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.66 3h0m s LYS 185 Cb -0.11 -3.10 0.26 0.00 -1.51 0.00 0.00 37.83 33.37 3h0m s LYS 185 CO -0.00 -0.36 1.25 -1.25 -0.36 0.00 0.00 175.35 174.62 3h0m s PRO 186 N 1.41 -0.41 0.33 4.03 0.04 -1.26 -0.94 135.00 138.20 3h0m s PRO 186 Ca 0.02 -0.37 -0.29 0.00 0.04 0.00 0.00 61.00 60.41 3h0m s PRO 186 Cb -0.16 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 3h0m s PRO 186 CO -0.02 -3.12 1.43 2.41 0.04 0.00 0.00 177.00 177.73 3h0m n THR 187 N -4.28 1.67 -1.68 1.26 -1.04 -1.26 -4.34 114.28 104.61 3h0m n THR 187 Ca 0.16 -0.42 -0.44 0.00 -2.04 0.00 0.00 64.05 61.31 3h0m n THR 187 Cb 0.59 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 3h0m n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h0m n TYR 188 N 0.93 2.51 0.00 -1.42 9.36 -0.92 -0.59 117.16 127.02 3h0m n TYR 188 Ca 0.05 -0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3h0m n TYR 188 Cb 0.36 -2.73 0.00 0.00 -0.63 0.00 0.00 39.34 36.34 3h0m n TYR 188 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h0m n GLY 189 N 4.33 2.15 0.14 2.98 0.00 -1.26 -4.92 105.19 108.60 3h0m n GLY 189 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3h0m n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0m h ARG 190 N 1.79 0.00 -4.96 1.61 2.43 -1.18 -1.08 114.38 112.98 3h0m h ARG 190 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 3h0m h ARG 190 Cb 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.23 3h0m h ARG 190 CO 0.00 0.62 -0.83 0.08 -1.51 0.00 0.00 179.97 178.33 3h0m s VAL 191 N -3.44 1.37 0.53 0.20 1.01 -1.26 -0.56 120.40 118.26 3h0m s VAL 191 Ca -0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 3h0m s VAL 191 Cb 0.12 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3h0m s VAL 191 CO 0.75 0.40 1.35 -0.24 0.00 0.00 0.00 175.10 177.37 3h0m n SER 192 N 3.49 2.68 -1.01 3.32 2.88 -1.26 -4.71 113.62 119.00 3h0m n SER 192 Ca -0.20 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.41 3h0m n SER 192 Cb 0.52 -1.57 0.25 0.00 -0.75 0.00 0.00 64.21 62.66 3h0m n SER 192 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h0m n ARG 193 N -0.89 3.13 -2.41 -1.46 1.74 -1.26 -4.75 116.66 110.77 3h0m n ARG 193 Ca 0.10 -2.53 -0.43 0.00 -0.77 0.00 0.00 57.85 54.22 3h0m n ARG 193 Cb 0.44 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3h0m n ARG 193 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3h0m s TYR 194 N -1.72 2.66 0.00 -1.55 5.04 -1.26 -2.47 117.35 118.05 3h0m s TYR 194 Ca 0.37 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 3h0m s TYR 194 Cb 0.24 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.65 3h0m s TYR 194 CO 0.17 -1.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.03 3h0m n GLY 195 N 4.33 0.75 3.53 8.97 0.00 -1.26 -1.04 105.19 120.47 3h0m n GLY 195 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3h0m n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h0m s LEU 196 N 0.00 4.53 -0.17 0.99 2.96 -1.03 -1.19 118.68 124.76 3h0m s LEU 196 Ca 0.00 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.26 3h0m s LEU 196 Cb 0.00 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 3h0m s LEU 196 CO 0.00 -0.33 2.13 0.52 -1.32 0.00 0.00 176.35 177.34 3h0m n VAL 197 N 5.21 0.44 -2.17 1.68 0.31 0.20 -4.85 118.33 119.14 3h0m n VAL 197 Ca -0.10 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 3h0m n VAL 197 Cb 0.49 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 3h0m n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h0m s ALA 198 N 6.84 3.58 -0.00 3.52 0.00 -1.26 -4.94 121.76 129.51 3h0m s ALA 198 Ca 0.99 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 54.06 3h0m s ALA 198 Cb -0.49 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.10 3h0m s ALA 198 CO 0.41 -0.60 -0.00 0.34 0.00 0.00 0.00 175.76 175.90 3h0m n PHE 199 N 3.77 0.00 -3.84 0.00 7.35 -1.26 -4.76 117.46 118.71 3h0m n PHE 199 Ca 0.11 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.49 3h0m n PHE 199 Cb 0.42 -0.01 -0.15 0.00 0.35 0.00 0.00 39.48 40.10 3h0m n PHE 199 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h0m s ALA 200 N -2.72 2.15 0.42 3.13 0.00 -1.26 -2.58 121.76 120.89 3h0m s ALA 200 Ca -0.00 -2.12 0.16 0.00 0.00 0.00 0.00 51.96 50.00 3h0m s ALA 200 Cb 0.00 -1.79 1.05 0.00 0.00 0.00 0.00 23.12 22.38 3h0m s ALA 200 CO 0.01 -1.72 1.89 0.77 0.00 0.00 0.00 175.76 176.70 3h0m h SER 201 N 7.75 0.42 0.45 0.00 0.02 -1.93 0.59 113.55 120.86 3h0m h SER 201 Ca -0.09 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3h0m h SER 201 Cb 1.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3h0m h SER 201 CO 0.50 0.19 -0.07 -1.54 -1.14 0.00 0.00 176.83 174.77 3h0m n SER 202 N -4.50 0.26 0.00 3.07 3.41 -1.26 -4.14 113.62 110.46 3h0m n SER 202 Ca 0.17 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3h0m n SER 202 Cb 0.60 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3h0m n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h0m n LEU 203 N -1.11 0.00 -4.75 1.04 4.77 -0.26 -4.96 117.00 111.73 3h0m n LEU 203 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3h0m n LEU 203 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3h0m n LEU 203 CO 0.24 0.00 1.25 0.47 -1.33 0.00 0.00 177.39 178.01 3h0m n ASP 204 N -1.66 3.88 -3.82 -1.43 8.00 0.04 -4.46 116.55 117.10 3h0m n ASP 204 Ca 0.00 1.15 -0.12 0.00 0.71 0.00 0.00 54.79 56.53 3h0m n ASP 204 Cb 0.34 -1.60 -0.12 0.00 -0.02 0.00 0.00 41.12 39.73 3h0m n ASP 204 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h0m s GLN 205 N -0.54 0.26 0.39 -1.24 -1.52 -0.91 -4.87 119.66 111.23 3h0m s GLN 205 Ca 0.64 0.14 -0.26 0.00 -1.95 0.00 0.00 55.36 53.93 3h0m s GLN 205 Cb -0.49 0.12 -0.09 0.00 -0.22 0.00 0.00 33.01 32.33 3h0m s GLN 205 CO 0.49 -0.04 1.21 0.42 -0.25 0.00 0.00 175.29 177.11 3h0m s ILE 206 N -0.16 3.01 0.04 1.08 1.01 -1.26 0.30 121.20 125.22 3h0m s ILE 206 Ca -0.03 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.52 3h0m s ILE 206 Cb -0.02 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3h0m s ILE 206 CO 0.01 0.12 0.05 0.61 0.00 0.00 0.00 174.94 175.72 3h0m n GLY 207 N 0.70 3.50 3.14 6.18 0.00 -0.24 -4.52 105.19 113.95 3h0m n GLY 207 Ca 0.03 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 3h0m n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0m s VAL 208 N -2.31 1.30 -0.05 1.61 1.01 -0.97 -1.67 120.40 119.32 3h0m s VAL 208 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3h0m s VAL 208 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3h0m s VAL 208 CO 0.03 0.37 -0.02 -0.36 0.00 0.00 0.00 175.10 175.12 3h0m s PHE 209 N -0.33 3.06 0.39 5.22 0.08 -0.10 -1.09 117.98 125.21 3h0m s PHE 209 Ca 0.05 0.10 -0.14 0.00 0.12 0.00 0.00 56.93 57.06 3h0m s PHE 209 Cb -0.07 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.72 3h0m s PHE 209 CO -0.00 0.42 0.77 0.41 -0.10 0.00 0.00 175.22 176.72 3h0m n GLY 210 N 1.91 1.03 0.03 4.36 0.00 -0.44 -1.46 105.19 110.62 3h0m n GLY 210 Ca -0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 3h0m n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0m n ARG 211 N -0.52 2.11 -4.90 1.61 1.74 -1.26 -0.82 116.66 114.61 3h0m n ARG 211 Ca -0.09 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 3h0m n ARG 211 Cb 0.58 -1.20 -0.14 0.00 -1.02 0.00 0.00 32.46 30.69 3h0m n ARG 211 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h0m s ARG 212 N -2.29 2.27 0.51 5.56 0.52 -1.26 -4.48 118.95 119.78 3h0m s ARG 212 Ca -0.04 -0.84 0.15 0.00 -0.52 0.00 0.00 55.73 54.48 3h0m s ARG 212 Cb 0.03 -2.24 1.22 0.00 0.52 0.00 0.00 34.95 34.48 3h0m s ARG 212 CO 0.33 0.58 2.14 1.15 0.02 0.00 0.00 175.30 179.51 3h0m h THR 213 N 4.24 1.01 -0.19 0.02 2.02 -1.93 -1.47 112.91 116.62 3h0m h THR 213 Ca -0.46 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 3h0m h THR 213 Cb 1.15 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3h0m h THR 213 CO 0.49 0.02 -0.57 -0.33 0.37 0.00 0.00 175.52 175.50 3h0m h GLU 214 N 0.05 0.59 -0.05 6.66 5.08 -1.96 -0.41 114.58 124.55 3h0m h GLU 214 Ca 0.01 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3h0m h GLU 214 Cb 0.00 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 214 CO -0.00 0.99 -0.36 -0.44 -1.00 0.00 0.00 179.01 178.20 3h0m h ASP 215 N 0.45 -1.09 -0.49 1.42 5.19 -1.70 -2.02 116.42 118.18 3h0m h ASP 215 Ca 0.00 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 3h0m h ASP 215 Cb 1.12 0.44 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 3h0m h ASP 215 CO 0.11 -0.40 0.05 0.58 -3.12 0.00 0.00 179.24 176.46 3h0m h VAL 216 N -0.48 1.26 -0.46 -1.35 2.07 -1.32 -2.30 116.25 113.66 3h0m h VAL 216 Ca 0.07 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3h0m h VAL 216 Cb 0.59 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3h0m h VAL 216 CO -0.32 0.35 0.19 0.00 0.02 0.00 0.00 177.57 177.82 3h0m h ALA 217 N 0.95 1.49 0.06 1.67 0.00 -0.98 -2.40 119.26 120.04 3h0m h ALA 217 Ca 0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3h0m h ALA 217 Cb 0.44 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h0m h ALA 217 CO 0.02 0.40 -0.55 1.25 0.00 0.00 0.00 179.25 180.37 3h0m h LEU 218 N 0.64 0.38 -0.77 0.00 5.85 -1.09 -2.05 115.31 118.28 3h0m h LEU 218 Ca 0.16 -0.87 0.03 0.00 0.84 0.00 0.00 57.88 58.04 3h0m h LEU 218 Cb 0.11 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3h0m h LEU 218 CO -0.02 1.21 0.49 0.58 -0.34 0.00 0.00 178.44 180.37 3h0m h VAL 219 N -0.39 1.12 -0.38 1.05 2.07 -1.39 -2.01 116.25 116.31 3h0m h VAL 219 Ca -0.08 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3h0m h VAL 219 Cb 1.35 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3h0m h VAL 219 CO 0.10 0.18 0.16 0.25 0.02 0.00 0.00 177.57 178.28 3h0m h LEU 220 N 0.96 0.52 -0.83 2.57 5.85 -1.50 -2.20 115.31 120.68 3h0m h LEU 220 Ca 0.31 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3h0m h LEU 220 Cb 0.00 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3h0m h LEU 220 CO -0.11 0.53 0.48 -0.08 -0.34 0.00 0.00 178.44 178.92 3h0m h GLU 221 N 0.47 0.79 -0.19 1.25 4.81 -0.94 -1.73 114.58 119.04 3h0m h GLU 221 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3h0m h GLU 221 Cb 0.17 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3h0m h GLU 221 CO -0.01 0.52 0.02 0.28 -0.73 0.00 0.00 179.01 179.09 3h0m h VAL 222 N 0.81 1.24 0.00 0.32 2.07 -1.05 -3.20 116.25 116.44 3h0m h VAL 222 Ca 0.39 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3h0m h VAL 222 Cb 0.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3h0m h VAL 222 CO -0.24 0.24 -0.07 2.30 0.02 0.00 0.00 177.57 179.82 3h0m n ILE 223 N -4.73 0.44 -2.17 4.57 -5.35 -0.86 -4.85 119.36 106.42 3h0m n ILE 223 Ca -0.04 -0.22 -0.26 0.00 -0.27 0.00 0.00 62.75 61.95 3h0m n ILE 223 Cb 0.20 -0.51 0.07 0.00 -1.74 0.00 0.00 39.64 37.67 3h0m n ILE 223 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3h0m s SER 224 N -4.17 4.82 0.00 7.28 0.01 -0.67 -4.53 113.70 116.45 3h0m s SER 224 Ca 0.11 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.88 3h0m s SER 224 Cb 0.14 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.21 3h0m s SER 224 CO 0.60 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 173.25 3h0m n GLY 225 N -2.95 2.62 3.64 3.44 0.00 0.28 -4.98 105.19 107.23 3h0m n GLY 225 Ca 0.08 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.67 3h0m n GLY 225 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h0m n TRP 226 N 0.46 1.86 -4.29 1.61 -0.00 -1.24 -4.43 117.44 111.41 3h0m n TRP 226 Ca 0.00 0.52 -0.27 0.00 -0.00 0.00 0.00 57.50 57.74 3h0m n TRP 226 Cb 0.00 -2.40 -0.17 0.00 -0.00 0.00 0.00 31.31 28.75 3h0m n TRP 226 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3h0m s ASP 227 N 0.19 2.24 0.57 5.87 2.15 -1.26 -5.02 116.67 121.42 3h0m s ASP 227 Ca 0.70 -0.37 0.35 0.00 0.43 0.00 0.00 52.55 53.65 3h0m s ASP 227 Cb -0.72 -0.97 1.70 0.00 -0.30 0.00 0.00 42.92 42.62 3h0m s ASP 227 CO 0.50 -0.02 2.12 1.05 -0.17 0.00 0.00 175.17 178.65 3h0m h GLU 228 N 7.58 0.00 -0.01 4.34 4.11 -1.97 -1.55 114.58 127.08 3h0m h GLU 228 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3h0m h GLU 228 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3h0m h GLU 228 CO 0.47 0.05 0.00 1.63 0.07 0.00 0.00 179.01 181.23 3h0m n LYS 229 N -3.27 1.26 -3.83 1.06 5.02 -1.26 -4.71 118.16 112.43 3h0m n LYS 229 Ca -0.01 -0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 55.62 3h0m n LYS 229 Cb 0.22 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.59 3h0m n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h0m s ASP 230 N -1.95 2.92 0.47 4.39 2.15 -0.58 -4.79 116.67 119.27 3h0m s ASP 230 Ca 0.43 -0.76 0.23 0.00 0.43 0.00 0.00 52.55 52.87 3h0m s ASP 230 Cb 0.21 -0.79 1.14 0.00 -0.30 0.00 0.00 42.92 43.18 3h0m s ASP 230 CO 0.34 -0.24 1.95 0.28 -0.17 0.00 0.00 175.17 177.33 3h0m h SER 231 N 8.16 0.00 0.22 -0.34 0.02 -1.84 -2.86 113.55 116.91 3h0m h SER 231 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3h0m h SER 231 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3h0m h SER 231 CO 0.37 0.21 -0.55 0.35 -1.14 0.00 0.00 176.83 176.06 3h0m n THR 232 N -3.70 0.00 -2.46 -2.27 -2.24 -1.26 -4.89 114.28 97.46 3h0m n THR 232 Ca -0.01 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3h0m n THR 232 Cb 0.32 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 3h0m n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h0m s SER 233 N -2.78 7.20 0.21 3.42 1.04 -1.08 -4.43 113.70 117.28 3h0m s SER 233 Ca 0.15 2.15 -0.19 0.00 0.48 0.00 0.00 55.95 58.54 3h0m s SER 233 Cb 0.18 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.61 3h0m s SER 233 CO 0.67 -0.28 0.70 0.00 0.98 0.00 0.00 173.24 175.31 3h0m s ALA 234 N -0.19 3.44 -1.38 5.32 0.00 -0.41 -4.75 121.76 123.79 3h0m s ALA 234 Ca 0.50 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 3h0m s ALA 234 Cb -0.31 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.12 3h0m s ALA 234 CO 0.36 0.34 2.27 1.63 0.00 0.00 0.00 175.76 180.36 3h0m n LYS 235 N 0.81 3.82 -4.84 0.00 5.02 -1.26 -3.67 118.16 118.05 3h0m n LYS 235 Ca -0.03 -3.15 -0.27 0.00 -2.02 0.00 0.00 58.31 52.84 3h0m n LYS 235 Cb 0.51 -2.87 -0.16 0.00 -0.02 0.00 0.00 35.03 32.49 3h0m n LYS 235 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h0m s VAL 236 N 0.62 1.47 0.46 -0.18 1.01 -1.26 -5.07 120.40 117.46 3h0m s VAL 236 Ca 0.50 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 3h0m s VAL 236 Cb 0.14 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 3h0m s VAL 236 CO -0.05 0.43 1.43 -2.16 0.00 0.00 0.00 175.10 174.75 3h0m s PRO 237 N 0.31 3.60 -0.19 2.72 0.04 -1.26 -4.55 135.00 135.68 3h0m s PRO 237 Ca -0.11 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 3h0m s PRO 237 Cb -0.14 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 3h0m s PRO 237 CO 0.04 -0.89 0.94 0.08 0.04 0.00 0.00 177.00 177.22 3h0m s VAL 238 N -1.20 4.78 0.56 -0.36 1.01 -1.26 -5.03 120.40 118.89 3h0m s VAL 238 Ca 0.62 1.85 -0.21 0.00 0.00 0.00 0.00 61.98 64.25 3h0m s VAL 238 Cb -0.44 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3h0m s VAL 238 CO 0.56 -0.07 1.27 -2.84 0.00 0.00 0.00 175.10 174.03 3h0m s PRO 239 N 2.59 3.13 -1.18 2.72 0.02 -1.26 -4.90 135.00 136.12 3h0m s PRO 239 Ca 0.42 2.02 -0.19 0.00 0.02 0.00 0.00 61.00 63.27 3h0m s PRO 239 Cb -0.16 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 3h0m s PRO 239 CO 0.11 -1.13 1.93 0.39 -0.33 0.00 0.00 177.00 177.97 3h0m n GLU 240 N -1.19 2.30 0.03 5.54 4.71 -1.26 -4.78 120.64 125.99 3h0m n GLU 240 Ca 0.11 -2.60 -0.00 0.00 -0.01 0.00 0.00 57.16 54.66 3h0m n GLU 240 Cb 0.47 -3.40 0.29 0.00 -1.01 0.00 0.00 31.44 27.80 3h0m n GLU 240 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 3h0m h TRP 241 N 7.94 0.47 -0.13 -0.32 6.55 -1.90 -2.25 115.95 126.30 3h0m h TRP 241 Ca 0.40 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 60.16 3h0m h TRP 241 Cb 0.80 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.96 3h0m h TRP 241 CO 1.33 0.54 0.01 0.66 -1.05 0.00 0.00 178.44 179.93 3h0m h SER 242 N 0.42 0.17 0.09 -3.49 4.64 -1.86 -0.01 113.55 113.49 3h0m h SER 242 Ca 0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3h0m h SER 242 Cb 0.43 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3h0m h SER 242 CO 0.02 0.20 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.42 3h0m n GLU 243 N -4.43 1.35 -0.07 4.77 -0.58 -0.88 -4.41 120.64 116.38 3h0m n GLU 243 Ca -0.01 -0.86 -0.08 0.00 -0.42 0.00 0.00 57.16 55.80 3h0m n GLU 243 Cb 0.14 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.43 3h0m n GLU 243 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h0m n GLU 244 N -0.08 1.52 -0.22 3.49 4.07 -0.13 -4.56 120.64 124.74 3h0m n GLU 244 Ca 0.15 0.02 0.08 0.00 -0.06 0.00 0.00 57.16 57.35 3h0m n GLU 244 Cb 0.38 -1.34 0.35 0.00 -0.06 0.00 0.00 31.44 30.77 3h0m n GLU 244 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3h0m h VAL 245 N 0.00 0.97 0.00 6.31 -1.51 -1.45 -2.65 116.25 117.91 3h0m h VAL 245 Ca -0.37 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.78 3h0m h VAL 245 Cb 1.78 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 3h0m h VAL 245 CO 0.00 0.14 -0.29 0.11 -1.23 0.00 0.00 177.57 176.31 3h0m h LYS 246 N 0.76 0.00 -7.34 5.19 1.57 -1.84 -3.39 116.57 111.52 3h0m h LYS 246 Ca 0.36 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.66 3h0m h LYS 246 Cb 0.40 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.86 3h0m h LYS 246 CO -0.14 0.29 0.25 0.15 -0.57 0.00 0.00 179.45 179.43 3h0m s LYS 247 N -3.45 1.24 -0.06 3.15 1.02 -1.00 -5.06 119.74 115.57 3h0m s LYS 247 Ca 0.02 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.79 3h0m s LYS 247 Cb 0.09 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3h0m s LYS 247 CO 0.67 -2.24 -0.04 -2.00 -0.92 0.00 0.00 175.35 170.82 3h0m s GLU 248 N -4.95 0.92 -0.20 1.68 2.12 -1.26 -4.92 118.70 112.08 3h0m s GLU 248 Ca 0.63 -0.08 -0.08 0.00 0.36 0.00 0.00 54.97 55.81 3h0m s GLU 248 Cb -0.18 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 3h0m s GLU 248 CO 0.57 -0.17 0.07 0.08 -0.54 0.00 0.00 175.26 175.27 3h0m s VAL 249 N 1.36 4.75 0.33 3.70 1.01 -1.26 -5.09 120.40 125.20 3h0m s VAL 249 Ca -0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 3h0m s VAL 249 Cb -0.13 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3h0m s VAL 249 CO -0.03 0.42 0.92 -0.54 0.00 0.00 0.00 175.10 175.87 3h0m s LYS 250 N 0.72 4.47 -0.77 2.72 -0.14 -1.26 -4.25 119.74 121.23 3h0m s LYS 250 Ca 0.04 1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 55.86 3h0m s LYS 250 Cb -0.13 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 3h0m s LYS 250 CO 0.02 0.23 0.31 0.41 -0.76 0.00 0.00 175.35 175.55 3h0m n GLY 251 N 0.32 0.09 3.80 -3.33 0.00 -1.26 -5.02 105.19 99.78 3h0m n GLY 251 Ca 0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3h0m n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 252 N -3.57 3.13 -0.01 0.99 1.43 -1.26 -4.88 118.68 114.51 3h0m s LEU 252 Ca 0.15 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 3h0m s LEU 252 Cb -0.07 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 3h0m s LEU 252 CO 0.19 -1.63 -0.19 -0.54 0.23 0.00 0.00 176.35 174.41 3h0m s LYS 253 N -4.91 1.47 -0.10 1.70 1.02 -1.26 -2.45 119.74 115.22 3h0m s LYS 253 Ca 0.60 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.93 3h0m s LYS 253 Cb -0.15 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 3h0m s LYS 253 CO 0.54 0.39 -0.22 0.42 -0.92 0.00 0.00 175.35 175.56 3h0m s ILE 254 N -0.48 1.95 -0.15 2.17 1.01 -0.29 -1.69 121.20 123.73 3h0m s ILE 254 Ca 0.07 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 3h0m s ILE 254 Cb -0.07 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3h0m s ILE 254 CO -0.00 0.53 0.19 -0.83 0.00 0.00 0.00 174.94 174.83 3h0m s GLY 255 N 0.45 2.15 -0.35 6.18 0.00 0.08 -0.63 107.32 115.20 3h0m s GLY 255 Ca -0.17 -0.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 3h0m s GLY 255 CO 0.07 0.01 0.10 1.08 0.00 0.00 0.00 173.10 174.36 3h0m s LEU 256 N -0.23 4.45 0.07 0.66 1.43 0.45 -1.42 118.68 124.10 3h0m s LEU 256 Ca 0.13 -1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 51.47 3h0m s LEU 256 Cb -0.12 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 3h0m s LEU 256 CO 0.03 -0.37 1.90 -2.84 0.23 0.00 0.00 176.35 175.30 3h0m s PRO 257 N 1.27 4.14 0.45 1.29 0.02 -1.26 -1.84 135.00 139.07 3h0m s PRO 257 Ca -0.00 2.60 0.16 0.00 0.02 0.00 0.00 61.00 63.78 3h0m s PRO 257 Cb -0.21 -3.91 1.10 0.00 0.02 0.00 0.00 34.50 31.51 3h0m s PRO 257 CO -0.01 -0.90 1.99 0.87 -0.33 0.00 0.00 177.00 178.61 3h0m h LYS 258 N 9.71 0.31 0.00 5.54 1.57 -0.91 -1.16 116.57 131.63 3h0m h LYS 258 Ca -0.48 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3h0m h LYS 258 Cb 1.23 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3h0m h LYS 258 CO 0.94 0.21 -0.03 0.93 -0.57 0.00 0.00 179.45 180.93 3h0m h GLU 259 N 0.32 0.00 0.00 3.15 3.07 -1.88 -2.73 114.58 116.51 3h0m h GLU 259 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3h0m h GLU 259 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3h0m h GLU 259 CO -0.06 0.03 0.00 0.74 -1.40 0.00 0.00 179.01 178.32 3h0m h PHE 260 N 0.00 0.00 0.00 4.33 0.04 -1.58 -3.05 116.94 116.69 3h0m h PHE 260 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3h0m h PHE 260 Cb 0.63 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 3h0m h PHE 260 CO 0.00 0.00 -0.16 0.74 -0.60 0.00 0.00 178.31 178.29 3h0m h PHE 261 N 0.00 0.00 0.00 -0.55 0.04 -1.57 -1.90 116.94 112.96 3h0m h PHE 261 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h0m h PHE 261 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 3h0m h PHE 261 CO 0.00 0.16 0.00 0.39 -0.60 0.00 0.00 178.31 178.26 3h0m n GLU 262 N -3.58 0.28 -2.91 1.51 -0.58 -1.15 -4.82 120.64 109.39 3h0m n GLU 262 Ca -0.01 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.35 3h0m n GLU 262 Cb 0.30 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 3h0m n GLU 262 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3h0m s TYR 263 N -2.70 3.58 -0.23 -0.32 1.51 -0.71 -4.98 117.35 113.50 3h0m s TYR 263 Ca 0.22 1.40 -0.28 0.00 -1.01 0.00 0.00 57.07 57.40 3h0m s TYR 263 Cb 0.18 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 3h0m s TYR 263 CO 0.44 0.00 2.08 -1.21 -1.11 0.00 0.00 175.55 175.75 3h0m s GLU 264 N 1.10 3.28 0.05 -0.62 2.02 -1.26 -4.99 118.70 118.27 3h0m s GLU 264 Ca 0.42 1.91 0.05 0.00 0.02 0.00 0.00 54.97 57.37 3h0m s GLU 264 Cb -0.19 -4.30 -0.04 0.00 0.10 0.00 0.00 34.13 29.70 3h0m s GLU 264 CO 0.20 -1.93 -0.06 -0.51 0.02 0.00 0.00 175.26 172.98 3h0m s LEU 265 N 7.57 3.20 0.24 1.80 1.43 -1.26 -4.83 118.68 126.83 3h0m s LEU 265 Ca 0.94 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3h0m s LEU 265 Cb -0.31 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.91 3h0m s LEU 265 CO 0.35 0.23 1.39 -1.10 0.23 0.00 0.00 176.35 177.45 3h0m s GLN 266 N -1.82 4.31 0.33 1.70 -0.21 -0.01 -4.87 119.66 119.09 3h0m s GLN 266 Ca 0.20 2.21 0.09 0.00 0.02 0.00 0.00 55.36 57.88 3h0m s GLN 266 Cb -0.11 -3.14 0.81 0.00 1.00 0.00 0.00 33.01 31.57 3h0m s GLN 266 CO 0.12 -0.35 1.80 -1.35 -2.12 0.00 0.00 175.29 173.38 3h0m h PRO 267 N 5.06 0.67 -0.84 2.91 0.11 -1.99 0.11 132.00 138.04 3h0m h PRO 267 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h0m h PRO 267 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3h0m h PRO 267 CO 0.77 0.45 0.48 1.96 -0.21 0.00 0.00 178.00 181.44 3h0m h GLN 268 N 0.69 1.15 -0.12 1.05 7.50 -1.97 -0.16 115.11 123.26 3h0m h GLN 268 Ca 0.55 -0.12 -0.09 0.00 0.50 0.00 0.00 58.65 59.49 3h0m h GLN 268 Cb 0.95 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3h0m h GLN 268 CO -0.33 0.83 -0.27 0.28 -1.50 0.00 0.00 178.83 177.84 3h0m h VAL 269 N 1.16 1.38 -0.16 -0.54 2.07 -1.17 -1.39 116.25 117.60 3h0m h VAL 269 Ca 0.30 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.28 3h0m h VAL 269 Cb -0.00 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3h0m h VAL 269 CO -0.05 0.46 -0.04 0.50 0.02 0.00 0.00 177.57 178.45 3h0m h LYS 270 N -0.03 -0.00 -0.27 1.57 3.64 -1.04 0.99 116.57 121.43 3h0m h LYS 270 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3h0m h LYS 270 Cb 0.87 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 3h0m h LYS 270 CO 0.06 -0.00 -0.12 1.49 -2.27 0.00 0.00 179.45 178.60 3h0m h GLU 271 N -0.00 -0.08 -0.68 1.90 4.81 -1.04 0.94 114.58 120.42 3h0m h GLU 271 Ca 0.08 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3h0m h GLU 271 Cb 0.13 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3h0m h GLU 271 CO -0.17 -0.05 0.40 0.00 -0.73 0.00 0.00 179.01 178.45 3h0m h ALA 272 N 1.14 0.90 -0.14 2.92 0.00 -0.91 -2.12 119.26 121.06 3h0m h ALA 272 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h0m h ALA 272 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h0m h ALA 272 CO -0.32 0.11 -0.06 0.35 0.00 0.00 0.00 179.25 179.33 3h0m h PHE 273 N 0.75 0.32 -0.97 0.00 3.57 -0.33 -1.90 116.94 118.40 3h0m h PHE 273 Ca 0.29 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.78 3h0m h PHE 273 Cb 0.13 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3h0m h PHE 273 CO -0.06 0.61 0.62 0.93 -2.23 0.00 0.00 178.31 178.17 3h0m h GLU 274 N -0.05 1.10 -0.61 1.11 5.08 -0.75 -1.27 114.58 119.19 3h0m h GLU 274 Ca 0.03 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3h0m h GLU 274 Cb 0.52 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3h0m h GLU 274 CO 0.02 0.73 0.08 -0.97 -1.00 0.00 0.00 179.01 177.87 3h0m h ASN 275 N 1.13 0.98 -0.49 1.42 -0.73 -1.34 -0.26 115.58 116.29 3h0m h ASN 275 Ca 0.41 -0.27 0.06 0.00 1.87 0.00 0.00 56.30 58.38 3h0m h ASN 275 Cb 0.15 -0.26 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 3h0m h ASN 275 CO -0.17 1.00 0.19 0.15 -0.37 0.00 0.00 177.43 178.23 3h0m h PHE 276 N 0.92 0.34 -0.20 0.67 3.57 -0.53 -0.45 116.94 121.25 3h0m h PHE 276 Ca 0.18 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3h0m h PHE 276 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3h0m h PHE 276 CO 0.03 0.13 -0.19 0.82 -2.23 0.00 0.00 178.31 176.87 3h0m h ILE 277 N 0.38 1.33 -0.87 1.41 1.08 -1.05 -1.53 117.51 118.26 3h0m h ILE 277 Ca 0.23 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.40 3h0m h ILE 277 Cb 0.22 1.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 3h0m h ILE 277 CO -0.22 0.41 0.55 0.11 -0.69 0.00 0.00 178.15 178.32 3h0m h LYS 278 N 0.17 1.01 -0.31 2.37 1.57 -0.92 0.32 116.57 120.78 3h0m h LYS 278 Ca 0.03 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3h0m h LYS 278 Cb 0.74 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3h0m h LYS 278 CO 0.05 0.67 -0.26 1.49 -0.57 0.00 0.00 179.45 180.83 3h0m h GLU 279 N 1.04 0.62 -0.24 3.15 4.57 -0.99 -0.52 114.58 122.21 3h0m h GLU 279 Ca 0.37 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 3h0m h GLU 279 Cb 0.09 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3h0m h GLU 279 CO -0.15 0.82 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.21 3h0m h LEU 280 N 0.54 0.60 -0.47 1.64 3.38 -0.77 -2.90 115.31 117.32 3h0m h LEU 280 Ca 0.07 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.67 3h0m h LEU 280 Cb 0.72 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 3h0m h LEU 280 CO 0.06 0.94 -0.22 -0.08 0.09 0.00 0.00 178.44 179.23 3h0m h GLU 281 N 0.27 -0.12 -0.82 1.13 4.81 -0.03 -1.60 114.58 118.22 3h0m h GLU 281 Ca 0.04 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.44 3h0m h GLU 281 Cb 0.77 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 3h0m h GLU 281 CO 0.06 -0.08 0.54 0.87 -0.73 0.00 0.00 179.01 179.67 3h0m h LYS 282 N -0.12 0.47 0.00 1.92 1.57 -1.02 0.45 116.57 119.84 3h0m h LYS 282 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h0m h LYS 282 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3h0m h LYS 282 CO -0.55 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 3h0m n GLU 283 N -4.51 0.38 0.00 3.15 -0.58 -0.62 -4.90 120.64 113.57 3h0m n GLU 283 Ca 0.16 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 3h0m n GLU 283 Cb 0.55 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3h0m n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h0m n GLY 284 N 1.02 1.14 3.73 0.62 0.00 0.15 -5.08 105.19 106.76 3h0m n GLY 284 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h0m n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 285 N -2.00 3.59 0.01 1.61 0.40 -1.08 -4.64 117.98 115.87 3h0m s PHE 285 Ca 0.00 1.56 -0.27 0.00 -0.60 0.00 0.00 56.93 57.62 3h0m s PHE 285 Cb 0.00 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 3h0m s PHE 285 CO 0.00 -0.59 0.85 -2.00 0.70 0.00 0.00 175.22 174.18 3h0m s GLU 286 N 0.27 4.53 -0.20 0.44 2.12 -1.02 -4.31 118.70 120.52 3h0m s GLU 286 Ca 0.52 1.19 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 3h0m s GLU 286 Cb -0.27 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 3h0m s GLU 286 CO 0.32 0.09 -0.05 0.42 -0.54 0.00 0.00 175.26 175.50 3h0m s ILE 287 N 0.57 3.43 0.01 -3.70 -1.09 -1.26 -1.13 121.20 118.03 3h0m s ILE 287 Ca 0.44 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.42 3h0m s ILE 287 Cb -0.20 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.12 3h0m s ILE 287 CO 0.24 0.44 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.72 3h0m s LYS 288 N 1.23 0.99 0.08 2.79 1.02 0.20 -4.98 119.74 121.08 3h0m s LYS 288 Ca 0.03 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 3h0m s LYS 288 Cb -0.14 -0.98 -0.05 0.00 -0.52 0.00 0.00 37.83 36.14 3h0m s LYS 288 CO -0.01 0.26 1.04 -1.21 -0.92 0.00 0.00 175.35 174.50 3h0m s GLU 289 N -0.64 4.59 0.37 1.68 2.02 -1.26 -0.41 118.70 125.05 3h0m s GLU 289 Ca 0.03 1.55 0.08 0.00 0.02 0.00 0.00 54.97 56.66 3h0m s GLU 289 Cb -0.06 -3.38 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 3h0m s GLU 289 CO 0.00 0.02 0.00 0.14 0.02 0.00 0.00 175.26 175.45 3h0m s VAL 290 N 0.44 2.28 -0.10 2.63 -7.23 -0.77 -4.81 120.40 112.85 3h0m s VAL 290 Ca 0.51 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3h0m s VAL 290 Cb -0.25 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 3h0m s VAL 290 CO 0.30 -0.11 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.46 3h0m s SER 291 N -3.71 4.54 -0.46 4.85 0.01 -1.26 -0.14 113.70 117.53 3h0m s SER 291 Ca 0.35 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.54 3h0m s SER 291 Cb 0.04 -1.36 0.16 0.00 0.21 0.00 0.00 66.02 65.07 3h0m s SER 291 CO 0.19 0.28 0.35 -0.76 0.41 0.00 0.00 173.24 173.70 3h0m s LEU 292 N -0.34 2.08 0.37 2.44 1.43 -1.26 -4.68 118.68 118.72 3h0m s LEU 292 Ca 0.05 -3.08 0.25 0.00 -1.03 0.00 0.00 54.13 50.32 3h0m s LEU 292 Cb -0.12 -0.70 1.34 0.00 0.03 0.00 0.00 46.19 46.74 3h0m s LEU 292 CO 0.02 -0.18 1.77 1.55 0.23 0.00 0.00 176.35 179.75 3h0m h PRO 293 N 5.84 0.00 0.00 1.29 0.13 -1.97 -2.69 132.00 134.60 3h0m h PRO 293 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3h0m h PRO 293 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3h0m h PRO 293 CO 0.43 0.00 -1.16 0.72 -0.23 0.00 0.00 178.00 177.76 3h0m n HIS 294 N -2.39 0.00 -0.31 1.56 8.25 -1.26 -4.68 115.22 116.39 3h0m n HIS 294 Ca -0.01 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.70 3h0m n HIS 294 Cb 0.06 -0.16 0.57 0.00 1.12 0.00 0.00 29.99 31.58 3h0m n HIS 294 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3h0m h VAL 295 N 0.00 0.50 0.00 1.59 -1.51 -1.84 0.23 116.25 115.22 3h0m h VAL 295 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3h0m h VAL 295 Cb 0.51 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 3h0m h VAL 295 CO 0.00 0.05 0.06 0.07 -1.23 0.00 0.00 177.57 176.52 3h0m h LYS 296 N 0.29 0.00 -0.01 5.19 2.10 -1.83 0.29 116.57 122.60 3h0m h LYS 296 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 3h0m h LYS 296 Cb 1.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 3h0m h LYS 296 CO -0.22 0.00 -0.06 0.66 -2.00 0.00 0.00 179.45 177.83 3h0m n TYR 297 N -2.78 0.00 -0.27 0.07 4.01 0.80 -4.31 117.16 114.68 3h0m n TYR 297 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 3h0m n TYR 297 Cb 0.11 -0.03 0.18 0.00 -0.31 0.00 0.00 39.34 39.29 3h0m n TYR 297 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h0m h SER 298 N 1.84 0.53 0.14 7.72 0.02 -0.54 -2.28 113.55 120.97 3h0m h SER 298 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3h0m h SER 298 Cb 0.45 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3h0m h SER 298 CO 0.00 0.27 -0.07 0.40 -1.14 0.00 0.00 176.83 176.30 3h0m h ILE 299 N 0.65 0.96 0.00 3.27 1.08 -1.80 -0.56 117.51 121.11 3h0m h ILE 299 Ca 0.40 -0.41 -0.12 0.00 -0.39 0.00 0.00 64.86 64.34 3h0m h ILE 299 Cb 0.47 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3h0m h ILE 299 CO -0.30 0.10 -0.59 -0.65 -0.69 0.00 0.00 178.15 176.01 3h0m h PRO 300 N -0.38 0.00 -0.36 2.37 0.11 -1.85 -0.24 132.00 131.65 3h0m h PRO 300 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3h0m h PRO 300 Cb 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3h0m h PRO 300 CO 0.03 0.59 0.21 1.15 -0.21 0.00 0.00 178.00 179.77 3h0m h THR 301 N 0.00 1.03 -0.34 -1.15 2.02 -1.38 -2.81 112.91 110.28 3h0m h THR 301 Ca -0.01 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 3h0m h THR 301 Cb 1.11 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3h0m h THR 301 CO 0.08 0.08 -0.41 0.22 0.37 0.00 0.00 175.52 175.85 3h0m h TYR 302 N 0.42 1.03 -0.14 3.16 3.20 -0.67 -1.63 116.97 122.33 3h0m h TYR 302 Ca 0.15 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3h0m h TYR 302 Cb 0.02 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3h0m h TYR 302 CO -0.08 1.12 0.00 0.66 -1.64 0.00 0.00 178.16 178.22 3h0m n TYR 303 N -4.04 0.36 -0.06 -3.82 4.01 -0.14 -1.31 117.16 112.16 3h0m n TYR 303 Ca -0.02 -0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.45 3h0m n TYR 303 Cb 0.55 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 3h0m n TYR 303 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3h0m n ILE 304 N 0.07 0.75 0.21 -0.72 5.41 -1.01 -4.64 119.36 119.42 3h0m n ILE 304 Ca 0.06 -0.14 -0.15 0.00 1.00 0.00 0.00 62.75 63.51 3h0m n ILE 304 Cb 0.34 -1.69 -0.07 0.00 -0.71 0.00 0.00 39.64 37.50 3h0m n ILE 304 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h0m h ILE 305 N -0.46 0.50 0.43 1.39 2.04 -1.17 -2.49 117.51 117.74 3h0m h ILE 305 Ca -0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3h0m h ILE 305 Cb 1.22 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3h0m h ILE 305 CO -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 177.53 3h0m h ALA 306 N 0.04 -0.97 -0.70 1.87 0.00 -1.47 -1.28 119.26 116.76 3h0m h ALA 306 Ca -0.03 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3h0m h ALA 306 Cb 0.49 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3h0m h ALA 306 CO 0.01 -1.09 0.46 -1.35 0.00 0.00 0.00 179.25 177.29 3h0m h PRO 307 N -0.89 0.52 0.78 0.00 0.11 -1.76 -0.47 132.00 130.30 3h0m h PRO 307 Ca -0.04 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3h0m h PRO 307 Cb 0.79 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.79 3h0m h PRO 307 CO -0.07 0.35 -0.37 0.77 -0.21 0.00 0.00 178.00 178.46 3h0m h SER 308 N 0.54 -0.89 -0.53 -2.05 0.02 -0.91 -0.96 113.55 108.77 3h0m h SER 308 Ca 0.32 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 3h0m h SER 308 Cb 0.54 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3h0m h SER 308 CO -0.11 -0.60 0.36 -0.33 -1.14 0.00 0.00 176.83 175.01 3h0m h GLU 309 N -1.12 0.39 -0.61 3.45 5.08 -1.11 -1.19 114.58 119.47 3h0m h GLU 309 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3h0m h GLU 309 Cb 0.80 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3h0m h GLU 309 CO 0.18 0.26 0.38 0.00 -1.00 0.00 0.00 179.01 178.82 3h0m h ALA 310 N 1.72 0.78 -0.03 3.43 0.00 -0.81 0.66 119.26 125.02 3h0m h ALA 310 Ca 0.24 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3h0m h ALA 310 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h0m h ALA 310 CO -0.06 0.25 -0.41 0.66 0.00 0.00 0.00 179.25 179.69 3h0m h SER 311 N 0.83 0.06 0.08 0.00 4.64 0.08 -1.09 113.55 118.16 3h0m h SER 311 Ca 0.22 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3h0m h SER 311 Cb -0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3h0m h SER 311 CO -0.04 0.47 -0.04 -1.28 -0.87 0.00 0.00 176.83 175.07 3h0m h SER 312 N 0.05 -0.09 0.52 4.97 0.87 -1.20 -3.12 113.55 115.56 3h0m h SER 312 Ca 0.00 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3h0m h SER 312 Cb 0.75 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3h0m h SER 312 CO 0.06 0.47 -0.01 0.78 -0.53 0.00 0.00 176.83 177.60 3h0m h ASN 313 N -0.70 0.00 -0.28 6.23 2.35 -0.74 -2.52 115.58 119.92 3h0m h ASN 313 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h0m h ASN 313 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3h0m h ASN 313 CO 0.02 0.01 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 3h0m n LEU 314 N -3.12 2.97 0.28 1.61 4.32 -0.42 -4.32 117.00 118.30 3h0m n LEU 314 Ca -0.01 -1.22 0.16 0.00 -0.02 0.00 0.00 56.01 54.91 3h0m n LEU 314 Cb 0.20 -0.18 0.77 0.00 -1.62 0.00 0.00 43.42 42.59 3h0m n LEU 314 CO 0.24 0.61 1.00 0.00 -1.22 0.00 0.00 177.39 178.02 3h0m h ALA 315 N 4.45 1.10 0.00 -1.18 0.00 -1.38 -3.03 119.26 119.22 3h0m h ALA 315 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h0m h ALA 315 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h0m h ALA 315 CO 0.00 0.09 0.00 2.89 0.00 0.00 0.00 179.25 182.23 3h0m n ARG 316 N -3.33 0.25 -2.86 0.00 1.85 -1.26 -4.58 116.66 106.73 3h0m n ARG 316 Ca -0.01 0.27 -0.43 0.00 -1.00 0.00 0.00 57.85 56.68 3h0m n ARG 316 Cb 0.26 -1.83 -0.04 0.00 -1.05 0.00 0.00 32.46 29.80 3h0m n ARG 316 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3h0m s TYR 317 N -3.16 2.72 0.00 2.89 2.02 -1.15 -4.71 117.35 115.96 3h0m s TYR 317 Ca 0.09 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3h0m s TYR 317 Cb 0.11 -4.30 0.00 0.00 -0.40 0.00 0.00 41.96 37.38 3h0m s TYR 317 CO 0.54 -1.64 0.09 -0.40 -1.57 0.00 0.00 175.55 172.58 3h0m n ASP 318 N 7.59 0.00 0.00 2.29 5.68 -1.26 -4.79 116.55 126.06 3h0m n ASP 318 Ca -0.00 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3h0m n ASP 318 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3h0m n ASP 318 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0m n GLY 319 N 0.00 0.65 0.10 6.12 0.00 -1.25 -4.61 105.19 106.20 3h0m n GLY 319 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3h0m n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h0m n VAL 320 N -2.67 1.49 0.19 1.61 0.31 -1.26 -4.75 118.33 113.24 3h0m n VAL 320 Ca 0.00 0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.45 3h0m n VAL 320 Cb 0.00 -2.21 -0.14 0.00 -0.91 0.00 0.00 33.84 30.58 3h0m n VAL 320 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h0m n ARG 321 N -4.46 0.63 -3.72 5.55 1.74 -1.26 -5.04 116.66 110.10 3h0m n ARG 321 Ca -0.24 -0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 56.68 3h0m n ARG 321 Cb 0.55 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 3h0m n ARG 321 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3h0m s TYR 322 N -3.22 -0.10 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.18 3h0m s TYR 322 Ca -0.04 -0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 3h0m s TYR 322 Cb 0.13 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 3h0m s TYR 322 CO 0.80 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 173.59 3h0m n GLY 323 N -0.49 0.33 3.77 5.49 0.00 -1.26 -4.29 105.19 108.74 3h0m n GLY 323 Ca -0.07 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3h0m n GLY 323 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h0m s TYR 324 N 0.00 2.80 -0.03 1.61 5.04 -0.66 -4.90 117.35 121.21 3h0m s TYR 324 Ca 0.00 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 3h0m s TYR 324 Cb 0.00 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.64 3h0m s TYR 324 CO 0.00 -2.16 0.01 0.50 -1.34 0.00 0.00 175.55 172.56 3h0m s ARG 325 N -2.22 0.26 0.73 4.97 3.52 -1.26 -3.89 118.95 121.06 3h0m s ARG 325 Ca 0.57 0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 56.12 3h0m s ARG 325 Cb -0.39 -0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 3h0m s ARG 325 CO 0.50 -0.17 0.80 0.00 -0.81 0.00 0.00 175.30 175.62 3h0m n ALA 326 N 4.33 -0.77 0.14 6.12 0.00 -1.26 -4.94 120.51 124.13 3h0m n ALA 326 Ca -0.23 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3h0m n ALA 326 Cb 0.50 -2.01 -0.16 0.00 0.00 0.00 0.00 19.45 17.78 3h0m n ALA 326 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h0m h LYS 327 N -0.35 0.52 -5.10 0.00 1.57 -1.98 -3.46 116.57 107.78 3h0m h LYS 327 Ca -0.46 -0.89 -0.66 0.00 -1.87 0.00 0.00 60.65 56.77 3h0m h LYS 327 Cb 1.34 0.33 -0.29 0.00 0.08 0.00 0.00 32.23 33.69 3h0m h LYS 327 CO 0.45 1.43 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.79 3h0m s GLU 328 N -2.61 3.32 -0.27 3.15 2.02 -1.26 -5.10 118.70 117.96 3h0m s GLU 328 Ca -0.09 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 3h0m s GLU 328 Cb 0.04 -2.84 0.08 0.00 0.10 0.00 0.00 34.13 31.52 3h0m s GLU 328 CO 0.94 -0.08 0.80 1.52 0.02 0.00 0.00 175.26 178.45 3h0m s TYR 329 N 1.13 -0.72 -0.16 1.61 1.13 -1.26 -4.86 117.35 114.23 3h0m s TYR 329 Ca 0.01 1.74 0.19 0.00 -1.41 0.00 0.00 57.07 57.60 3h0m s TYR 329 Cb -0.14 0.29 -0.10 0.00 -1.10 0.00 0.00 41.96 40.91 3h0m s TYR 329 CO -0.02 -0.34 0.88 1.63 -2.51 0.00 0.00 175.55 175.18 3h0m n LYS 330 N 2.59 0.62 -3.95 -3.49 5.02 -1.26 -4.93 118.16 112.75 3h0m n LYS 330 Ca -0.14 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 3h0m n LYS 330 Cb 0.55 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3h0m n LYS 330 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3h0m s ASP 331 N -5.60 -0.09 0.44 4.39 1.47 -1.26 -5.04 116.67 110.98 3h0m s ASP 331 Ca -0.02 -0.87 0.12 0.00 1.18 0.00 0.00 52.55 52.96 3h0m s ASP 331 Cb 0.09 0.65 1.02 0.00 -0.34 0.00 0.00 42.92 44.34 3h0m s ASP 331 CO 0.81 -1.24 2.03 -0.29 0.68 0.00 0.00 175.17 177.15 3h0m h ILE 332 N 2.16 0.98 0.38 2.11 6.09 -1.98 0.07 117.51 127.31 3h0m h ILE 332 Ca -0.24 -0.13 -0.02 0.00 -1.37 0.00 0.00 64.86 63.09 3h0m h ILE 332 Cb 1.25 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.10 3h0m h ILE 332 CO 0.32 0.07 -0.18 0.15 -3.07 0.00 0.00 178.15 175.44 3h0m h PHE 333 N 0.39 -0.47 -0.91 2.19 3.57 -1.99 -0.03 116.94 119.69 3h0m h PHE 333 Ca 0.20 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3h0m h PHE 333 Cb 0.28 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3h0m h PHE 333 CO -0.00 -0.24 0.56 0.93 -2.23 0.00 0.00 178.31 177.33 3h0m h GLU 334 N -0.61 1.23 -0.26 1.11 5.08 -1.87 0.40 114.58 119.66 3h0m h GLU 334 Ca -0.05 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3h0m h GLU 334 Cb 0.45 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3h0m h GLU 334 CO 0.09 0.85 -0.08 1.98 -1.00 0.00 0.00 179.01 180.84 3h0m h MET 335 N 1.25 -0.03 0.76 2.33 4.05 -0.68 0.34 114.93 122.96 3h0m h MET 335 Ca 0.33 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.71 3h0m h MET 335 Cb -0.07 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.74 3h0m h MET 335 CO -0.06 -0.02 -0.36 1.88 0.23 0.00 0.00 176.91 178.57 3h0m h TYR 336 N -0.03 -0.95 0.00 1.39 0.05 -0.38 -1.87 116.97 115.18 3h0m h TYR 336 Ca 0.13 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 3h0m h TYR 336 Cb 0.23 0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 3h0m h TYR 336 CO -0.28 -0.59 -0.34 0.00 -1.05 0.00 0.00 178.16 175.91 3h0m h ALA 337 N -0.77 1.30 0.13 3.88 0.00 -0.72 -2.53 119.26 120.55 3h0m h ALA 337 Ca -0.10 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 3h0m h ALA 337 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h0m h ALA 337 CO 0.17 0.43 -1.39 0.00 0.00 0.00 0.00 179.25 178.46 3h0m h ARG 338 N 0.00 0.28 -0.64 0.00 3.08 -0.96 -2.34 114.38 113.80 3h0m h ARG 338 Ca -0.00 -0.48 0.13 0.00 0.07 0.00 0.00 59.98 59.70 3h0m h ARG 338 Cb 0.66 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.79 3h0m h ARG 338 CO 0.04 1.23 0.08 1.15 -1.07 0.00 0.00 179.97 181.41 3h0m h THR 339 N -0.24 0.54 -0.02 2.04 2.02 -1.26 -1.27 112.91 114.72 3h0m h THR 339 Ca -0.29 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 3h0m h THR 339 Cb 1.81 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3h0m h THR 339 CO 0.09 0.04 -0.32 0.03 0.37 0.00 0.00 175.52 175.73 3h0m h ARG 340 N 0.20 0.25 -0.73 6.66 3.08 -1.55 0.21 114.38 122.49 3h0m h ARG 340 Ca 0.34 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3h0m h ARG 340 Cb 0.56 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3h0m h ARG 340 CO -0.49 0.93 0.48 0.22 -1.07 0.00 0.00 179.97 180.05 3h0m h ASP 341 N -0.35 0.70 0.82 7.04 3.58 -1.33 -1.25 116.42 125.63 3h0m h ASP 341 Ca -0.03 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.18 3h0m h ASP 341 Cb 1.03 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 3h0m h ASP 341 CO 0.06 0.46 -1.26 -0.33 -2.88 0.00 0.00 179.24 175.29 3h0m h GLU 342 N 0.79 0.00 0.00 0.28 5.08 -1.17 -3.37 114.58 116.20 3h0m h GLU 342 Ca 0.31 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 3h0m h GLU 342 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3h0m h GLU 342 CO -0.10 0.76 -1.30 0.78 -1.00 0.00 0.00 179.01 178.15 3h0m h GLY 343 N 3.24 0.00 -5.31 -3.84 0.00 -0.28 -3.46 103.07 93.42 3h0m h GLY 343 Ca -0.12 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.61 3h0m h GLY 343 CO 0.10 0.00 -0.21 -1.36 0.00 0.00 0.00 176.54 175.07 3h0m s PHE 344 N -2.96 3.63 1.10 5.60 0.08 -0.50 -1.95 117.98 122.98 3h0m s PHE 344 Ca -0.02 0.89 -0.17 0.00 0.12 0.00 0.00 56.93 57.74 3h0m s PHE 344 Cb 0.09 -2.35 0.25 0.00 -0.57 0.00 0.00 43.02 40.43 3h0m s PHE 344 CO 0.80 0.46 1.16 0.20 -0.10 0.00 0.00 175.22 177.74 3h0m s GLY 345 N -0.38 1.63 0.10 4.36 0.00 -1.26 -4.81 107.32 106.96 3h0m s GLY 345 Ca 0.23 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 3h0m s GLY 345 CO 0.11 -0.12 1.23 -0.56 0.00 0.00 0.00 173.10 173.75 3h0m h PRO 346 N -2.21 0.43 -0.58 2.90 0.13 -1.97 -0.47 132.00 130.22 3h0m h PRO 346 Ca -0.46 -0.53 -0.10 0.00 -0.87 0.00 0.00 66.00 64.04 3h0m h PRO 346 Cb 1.29 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.56 3h0m h PRO 346 CO 0.39 1.19 -0.02 1.49 -0.23 0.00 0.00 178.00 180.82 3h0m h GLU 347 N 0.21 1.04 -0.27 0.86 4.57 -1.95 -1.27 114.58 117.77 3h0m h GLU 347 Ca -0.11 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 57.75 3h0m h GLU 347 Cb 1.73 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 3h0m h GLU 347 CO 0.19 1.03 0.12 0.28 -1.18 0.00 0.00 179.01 179.45 3h0m h VAL 348 N 0.94 0.98 -0.65 0.32 2.07 -1.84 -2.02 116.25 116.06 3h0m h VAL 348 Ca 0.16 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3h0m h VAL 348 Cb 0.58 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3h0m h VAL 348 CO 0.03 0.05 0.32 0.11 0.02 0.00 0.00 177.57 178.10 3h0m h LYS 349 N 0.27 0.91 -0.83 1.57 1.57 -0.76 -1.73 116.57 117.57 3h0m h LYS 349 Ca 0.11 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h0m h LYS 349 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3h0m h LYS 349 CO -0.09 0.69 0.39 0.00 -0.57 0.00 0.00 179.45 179.88 3h0m h ARG 350 N 0.91 1.19 0.00 3.15 3.08 -0.66 -1.60 114.38 120.45 3h0m h ARG 350 Ca 0.23 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 3h0m h ARG 350 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3h0m h ARG 350 CO -0.03 0.92 -0.88 0.00 -1.07 0.00 0.00 179.97 178.91 3h0m h ARG 351 N 1.18 0.02 -0.12 0.04 3.08 -1.05 -1.97 114.38 115.55 3h0m h ARG 351 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3h0m h ARG 351 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3h0m h ARG 351 CO -0.03 0.89 0.05 0.82 -1.07 0.00 0.00 179.97 180.62 3h0m h ILE 352 N 0.01 1.14 0.29 2.04 2.04 -1.15 0.21 117.51 122.09 3h0m h ILE 352 Ca -0.01 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3h0m h ILE 352 Cb 1.56 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3h0m h ILE 352 CO 0.12 0.13 -0.18 0.24 0.00 0.00 0.00 178.15 178.45 3h0m h MET 353 N 0.05 -0.44 -0.62 2.37 2.86 -1.27 -1.33 114.93 116.55 3h0m h MET 353 Ca 0.04 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3h0m h MET 353 Cb 0.16 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3h0m h MET 353 CO -0.00 -0.29 0.29 1.25 1.06 0.00 0.00 176.91 179.21 3h0m h LEU 354 N -0.46 0.37 0.31 1.22 5.85 -1.35 -2.25 115.31 119.00 3h0m h LEU 354 Ca -0.03 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3h0m h LEU 354 Cb 0.38 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3h0m h LEU 354 CO 0.02 0.23 -0.18 1.23 -0.34 0.00 0.00 178.44 179.41 3h0m h GLY 355 N 0.52 -0.47 2.00 3.75 0.00 -0.32 -0.26 103.07 108.28 3h0m h GLY 355 Ca 0.29 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3h0m h GLY 355 CO -0.24 -0.18 0.00 -0.91 0.00 0.00 0.00 176.54 175.21 3h0m h THR 356 N -0.46 0.00 0.03 4.70 1.35 -1.03 -1.04 112.91 116.45 3h0m h THR 356 Ca -0.03 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3h0m h THR 356 Cb 0.38 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3h0m h THR 356 CO 0.04 0.00 -0.01 0.15 -0.25 0.00 0.00 175.52 175.45 3h0m h PHE 357 N 0.00 -0.03 -0.12 4.73 3.04 -1.07 -3.00 116.94 120.48 3h0m h PHE 357 Ca 0.00 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.99 3h0m h PHE 357 Cb 0.24 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 3h0m h PHE 357 CO 0.00 0.65 0.27 0.00 -2.02 0.00 0.00 178.31 177.20 3h0m h ALA 358 N -0.20 1.55 0.00 2.41 0.00 0.18 -0.65 119.26 122.56 3h0m h ALA 358 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 358 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h0m h ALA 358 CO 0.01 -0.33 -1.30 1.28 0.00 0.00 0.00 179.25 178.90 3h0m n LEU 359 N -3.32 0.60 -4.75 0.00 4.77 -0.65 -3.56 117.00 110.09 3h0m n LEU 359 Ca 0.01 -0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 3h0m n LEU 359 Cb 0.36 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3h0m n LEU 359 CO 0.21 0.15 1.07 -1.54 -1.33 0.00 0.00 177.39 175.94 3h0m n SER 360 N -1.74 3.47 -4.76 -1.43 3.41 -0.25 -4.59 113.62 107.73 3h0m n SER 360 Ca 0.01 1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 59.43 3h0m n SER 360 Cb 0.39 -1.58 -0.01 0.00 -0.26 0.00 0.00 64.21 62.75 3h0m n SER 360 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0m s ALA 361 N -1.12 3.62 0.00 7.33 0.00 -1.26 -0.64 121.76 129.69 3h0m s ALA 361 Ca 0.54 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3h0m s ALA 361 Cb -0.50 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3h0m s ALA 361 CO 0.63 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3h0m n GLY 362 N 1.29 3.02 0.00 0.00 0.00 -1.26 -4.74 105.19 103.50 3h0m n GLY 362 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3h0m n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h0m n TYR 363 N -0.15 0.00 -0.18 1.61 4.01 -0.49 -4.76 117.16 117.20 3h0m n TYR 363 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3h0m n TYR 363 Cb 0.00 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.11 3h0m n TYR 363 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3h0m h TYR 364 N 0.00 0.21 -0.51 -0.72 5.03 -0.95 -0.24 116.97 119.79 3h0m h TYR 364 Ca 0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3h0m h TYR 364 Cb 0.02 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 3h0m h TYR 364 CO 0.00 0.00 0.30 -0.44 -1.32 0.00 0.00 178.16 176.70 3h0m h ASP 365 N 0.27 0.62 1.61 -2.11 3.32 -1.86 -0.07 116.42 118.21 3h0m h ASP 365 Ca 0.28 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3h0m h ASP 365 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3h0m h ASP 365 CO -0.35 0.51 -0.31 0.00 -1.72 0.00 0.00 179.24 177.37 3h0m h ALA 366 N 1.14 0.81 -3.00 3.45 0.00 -1.80 -2.53 119.26 117.33 3h0m h ALA 366 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h0m h ALA 366 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h0m h ALA 366 CO -0.03 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.26 3h0m n TYR 367 N -3.19 0.00 -0.07 0.00 4.02 -0.12 -4.52 117.16 113.27 3h0m n TYR 367 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.85 3h0m n TYR 367 Cb 0.64 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.95 3h0m n TYR 367 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3h0m h TYR 368 N 0.00 -0.18 0.03 -0.72 3.20 -1.49 0.57 116.97 118.38 3h0m h TYR 368 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h0m h TYR 368 Cb 0.00 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3h0m h TYR 368 CO 0.00 -0.14 -0.02 1.25 -1.64 0.00 0.00 178.16 177.62 3h0m h LEU 369 N -0.02 -0.04 -0.46 2.82 5.85 -1.21 -1.36 115.31 120.90 3h0m h LEU 369 Ca 0.14 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3h0m h LEU 369 Cb 0.23 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 3h0m h LEU 369 CO -0.30 0.10 -0.15 0.50 -0.34 0.00 0.00 178.44 178.26 3h0m h LYS 370 N -0.18 -0.04 -0.33 1.25 1.63 -1.14 -1.79 116.57 115.98 3h0m h LYS 370 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3h0m h LYS 370 Cb 0.16 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3h0m h LYS 370 CO 0.01 -0.03 0.13 0.00 -3.45 0.00 0.00 179.45 176.11 3h0m h ALA 371 N 1.38 1.62 0.00 5.00 0.00 -0.60 -0.26 119.26 126.40 3h0m h ALA 371 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h0m h ALA 371 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h0m h ALA 371 CO -0.49 0.30 -0.21 1.96 0.00 0.00 0.00 179.25 180.81 3h0m h GLN 372 N 0.46 0.00 0.04 0.00 1.08 -0.42 -0.71 115.11 115.56 3h0m h GLN 372 Ca 0.11 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3h0m h GLN 372 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3h0m h GLN 372 CO -0.01 0.21 -0.02 0.87 -0.95 0.00 0.00 178.83 178.93 3h0m h LYS 373 N 0.00 -0.05 -0.76 1.46 1.57 -0.54 -3.18 116.57 115.07 3h0m h LYS 373 Ca -0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 3h0m h LYS 373 Cb 0.91 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 3h0m h LYS 373 CO 0.03 0.56 0.54 0.28 -0.57 0.00 0.00 179.45 180.28 3h0m h VAL 374 N -0.94 0.66 0.00 0.50 2.07 -1.07 0.22 116.25 117.69 3h0m h VAL 374 Ca -0.01 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3h0m h VAL 374 Cb 0.63 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3h0m h VAL 374 CO 0.01 0.02 -0.36 -0.09 0.02 0.00 0.00 177.57 177.18 3h0m h ARG 375 N 0.13 0.00 0.10 1.57 2.43 -1.18 -1.40 114.38 116.03 3h0m h ARG 375 Ca 0.37 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.28 3h0m h ARG 375 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3h0m h ARG 375 CO -0.05 0.36 -1.18 -0.09 -1.51 0.00 0.00 179.97 177.50 3h0m h ARG 376 N 0.00 0.30 -0.16 0.20 2.43 -0.55 -1.85 114.38 114.75 3h0m h ARG 376 Ca -0.00 -0.46 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3h0m h ARG 376 Cb 0.65 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 3h0m h ARG 376 CO 0.05 1.19 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.37 3h0m h LEU 377 N 0.11 -0.82 -0.66 3.80 3.38 -1.10 -0.37 115.31 119.66 3h0m h LEU 377 Ca -0.12 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h0m h LEU 377 Cb 1.88 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 42.96 3h0m h LEU 377 CO 0.20 -0.31 0.42 0.40 0.09 0.00 0.00 178.44 179.24 3h0m h ILE 378 N -0.32 1.12 -0.79 1.22 2.04 -1.26 -0.69 117.51 118.84 3h0m h ILE 378 Ca 0.11 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3h0m h ILE 378 Cb 0.48 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3h0m h ILE 378 CO -0.34 0.15 0.52 0.74 0.00 0.00 0.00 178.15 179.22 3h0m h THR 379 N 0.84 1.20 -0.58 -0.27 2.02 -1.06 -2.80 112.91 112.26 3h0m h THR 379 Ca 0.25 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3h0m h THR 379 Cb -0.03 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 3h0m h THR 379 CO -0.08 0.20 -0.02 0.78 0.37 0.00 0.00 175.52 176.76 3h0m h ASN 380 N 1.07 1.02 -0.74 4.18 2.35 -0.00 -1.63 115.58 121.82 3h0m h ASN 380 Ca 0.29 -0.32 0.13 0.00 -0.55 0.00 0.00 56.30 55.85 3h0m h ASN 380 Cb -0.12 -0.27 -0.14 0.00 0.05 0.00 0.00 38.32 37.84 3h0m h ASN 380 CO -0.06 1.09 -0.31 0.44 -1.65 0.00 0.00 177.43 176.94 3h0m h ASP 381 N 0.92 -1.09 -0.14 5.81 5.19 -0.92 -1.47 116.42 124.73 3h0m h ASP 381 Ca 0.16 0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 3h0m h ASP 381 Cb 0.58 0.59 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3h0m h ASP 381 CO 0.03 -0.29 0.05 -0.26 -3.12 0.00 0.00 179.24 175.66 3h0m h PHE 382 N -0.08 0.21 -0.40 4.55 0.04 -1.11 -1.04 116.94 119.11 3h0m h PHE 382 Ca 0.30 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.07 3h0m h PHE 382 Cb 0.57 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 3h0m h PHE 382 CO -0.69 0.30 0.26 -0.07 -0.60 0.00 0.00 178.31 177.52 3h0m h LEU 383 N 0.06 0.41 0.13 1.54 3.38 -0.90 0.15 115.31 120.08 3h0m h LEU 383 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3h0m h LEU 383 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h0m h LEU 383 CO -0.00 0.29 -0.06 0.50 0.09 0.00 0.00 178.44 179.25 3h0m h LYS 384 N 0.48 -0.17 -0.35 1.13 1.63 -1.12 -3.14 116.57 115.03 3h0m h LYS 384 Ca 0.15 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 3h0m h LYS 384 Cb 0.03 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3h0m h LYS 384 CO -0.04 0.27 0.24 0.00 -3.45 0.00 0.00 179.45 176.48 3h0m h ALA 385 N 0.01 2.07 0.00 5.00 0.00 -0.62 -1.20 119.26 124.52 3h0m h ALA 385 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h0m h ALA 385 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h0m h ALA 385 CO 0.03 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.33 3h0m n PHE 386 N -4.47 0.00 0.10 0.00 3.72 0.47 -2.22 117.46 115.07 3h0m n PHE 386 Ca 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.41 3h0m n PHE 386 Cb 0.28 -0.17 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3h0m n PHE 386 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3h0m h GLU 387 N 0.00 0.00 0.02 -1.08 5.08 -1.19 -3.36 114.58 114.05 3h0m h GLU 387 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3h0m h GLU 387 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3h0m h GLU 387 CO 0.00 0.78 -2.19 0.39 -1.00 0.00 0.00 179.01 176.98 3h0m n GLU 388 N -3.49 0.68 -4.29 2.33 1.02 -0.94 -5.04 120.64 110.90 3h0m n GLU 388 Ca -0.00 0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 3h0m n GLU 388 Cb 0.78 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.49 3h0m n GLU 388 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h0m s VAL 389 N -2.53 0.82 -0.23 2.62 -7.23 -0.95 -4.97 120.40 107.92 3h0m s VAL 389 Ca -0.16 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.02 3h0m s VAL 389 Cb 0.07 -2.31 -0.15 0.00 0.56 0.00 0.00 36.38 34.55 3h0m s VAL 389 CO 0.77 -0.33 -0.20 0.47 -0.31 0.00 0.00 175.10 175.50 3h0m n ASP 390 N -0.36 2.17 -4.19 4.85 8.00 -0.68 -4.43 116.55 121.92 3h0m n ASP 390 Ca -0.05 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3h0m n ASP 390 Cb 0.64 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 3h0m n ASP 390 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3h0m s VAL 391 N -2.47 0.89 -0.13 2.53 -7.23 -0.84 -4.40 120.40 108.76 3h0m s VAL 391 Ca -0.31 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.04 3h0m s VAL 391 Cb 0.08 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 3h0m s VAL 391 CO 0.54 -0.70 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.87 3h0m s ILE 392 N -3.01 3.07 -0.06 -0.62 1.01 -0.40 -0.75 121.20 120.44 3h0m s ILE 392 Ca 0.10 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3h0m s ILE 392 Cb 0.01 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3h0m s ILE 392 CO -0.01 0.52 -0.18 0.00 0.00 0.00 0.00 174.94 175.26 3h0m s ALA 393 N 0.36 2.46 0.00 9.38 0.00 -0.51 -0.57 121.76 132.88 3h0m s ALA 393 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3h0m s ALA 393 Cb -0.16 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3h0m s ALA 393 CO 0.06 0.46 0.00 -1.13 0.00 0.00 0.00 175.76 175.14 3h0m n SER 394 N 2.72 0.00 -4.76 0.00 3.41 -0.99 -4.52 113.62 109.50 3h0m n SER 394 Ca -0.17 -0.96 -0.36 0.00 -0.26 0.00 0.00 58.87 57.11 3h0m n SER 394 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3h0m n SER 394 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3h0m s PRO 395 N -1.89 3.05 0.22 4.33 0.02 -1.26 -0.72 135.00 138.74 3h0m s PRO 395 Ca 0.00 1.82 0.10 0.00 0.02 0.00 0.00 61.00 62.93 3h0m s PRO 395 Cb 0.00 -1.96 0.14 0.00 0.02 0.00 0.00 34.50 32.70 3h0m s PRO 395 CO 0.00 -1.14 1.48 1.15 -0.33 0.00 0.00 177.00 178.16 3h0m h THR 396 N 0.98 1.52 -3.36 0.99 2.02 -1.67 -3.41 112.91 109.97 3h0m h THR 396 Ca -0.50 -2.61 -0.21 0.00 0.77 0.00 0.00 66.41 63.86 3h0m h THR 396 Cb 1.29 2.42 -0.28 0.00 -1.74 0.00 0.00 68.15 69.84 3h0m h THR 396 CO 0.56 0.74 -0.57 -0.89 0.37 0.00 0.00 175.52 175.73 3h0m s THR 397 N -3.24 -0.01 0.47 3.16 2.01 -1.26 -4.41 115.64 112.36 3h0m s THR 397 Ca -0.00 0.05 0.32 0.00 0.31 0.00 0.00 61.69 62.36 3h0m s THR 397 Cb 0.11 -0.21 0.35 0.00 0.01 0.00 0.00 72.50 72.76 3h0m s THR 397 CO 0.78 0.02 2.16 1.55 -0.69 0.00 0.00 174.62 178.44 3h0m h PRO 398 N 6.27 0.00 -4.97 4.92 0.13 -1.88 -3.46 132.00 133.01 3h0m h PRO 398 Ca -0.30 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.47 3h0m h PRO 398 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 3h0m h PRO 398 CO 0.42 0.06 -0.63 0.95 -0.23 0.00 0.00 178.00 178.58 3h0m s THR 399 N -4.23 0.76 0.66 1.56 -4.23 -1.26 -0.83 115.64 108.07 3h0m s THR 399 Ca -0.03 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 3h0m s THR 399 Cb 0.13 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3h0m s THR 399 CO 0.54 -0.10 1.12 -0.76 -0.54 0.00 0.00 174.62 174.88 3h0m s LEU 400 N -3.33 3.39 -0.36 4.79 1.43 -1.26 -4.95 118.68 118.40 3h0m s LEU 400 Ca 0.35 2.05 -0.34 0.00 -1.03 0.00 0.00 54.13 55.15 3h0m s LEU 400 Cb 0.07 -4.56 -0.15 0.00 0.03 0.00 0.00 46.19 41.59 3h0m s LEU 400 CO 0.12 -1.69 1.19 -2.65 0.23 0.00 0.00 176.35 173.55 3h0m n PRO 401 N -2.41 0.00 -2.61 1.29 -0.02 -1.26 -4.95 135.00 125.04 3h0m n PRO 401 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 3h0m n PRO 401 Cb 0.52 -1.09 0.07 0.00 -0.02 0.00 0.00 33.50 32.97 3h0m n PRO 401 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3h0m s PHE 402 N 2.33 2.30 0.34 6.00 -0.12 -1.26 -4.84 117.98 122.73 3h0m s PHE 402 Ca 0.77 -0.12 -0.08 0.00 -0.05 0.00 0.00 56.93 57.45 3h0m s PHE 402 Cb -1.09 -2.85 -0.06 0.00 -0.63 0.00 0.00 43.02 38.39 3h0m s PHE 402 CO 0.59 -1.24 0.66 0.15 -0.05 0.00 0.00 175.22 175.32 3h0m s LYS 403 N -4.93 3.72 0.43 1.99 1.02 -1.26 -1.71 119.74 119.00 3h0m s LYS 403 Ca 0.61 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.61 3h0m s LYS 403 Cb -0.08 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 3h0m s LYS 403 CO 0.41 0.10 1.11 1.19 -0.92 0.00 0.00 175.35 177.24 3h0m n PHE 404 N -1.03 1.51 -0.16 3.18 3.72 -1.20 -2.06 117.46 121.42 3h0m n PHE 404 Ca 0.00 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 3h0m n PHE 404 Cb 0.54 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 3h0m n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h0m n GLY 405 N 1.05 2.16 0.15 1.37 0.00 -1.26 -4.86 105.19 103.80 3h0m n GLY 405 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3h0m n GLY 405 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 406 N 1.76 0.00 0.00 1.61 5.08 -1.82 -3.28 114.58 117.94 3h0m h GLU 406 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3h0m h GLU 406 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3h0m h GLU 406 CO 0.00 0.53 -0.70 0.54 -1.00 0.00 0.00 179.01 178.39 3h0m n ARG 407 N -3.74 0.94 -0.01 2.33 1.74 -1.26 -4.63 116.66 112.03 3h0m n ARG 407 Ca -0.01 -2.75 0.09 0.00 -0.77 0.00 0.00 57.85 54.42 3h0m n ARG 407 Cb 0.57 -0.97 -0.13 0.00 -1.02 0.00 0.00 32.46 30.91 3h0m n ARG 407 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h0m n LEU 408 N -0.48 0.27 0.02 0.55 4.77 -1.24 -3.84 117.00 117.05 3h0m n LEU 408 Ca 0.14 -0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 3h0m n LEU 408 Cb 0.87 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3h0m n LEU 408 CO -0.04 0.07 0.48 -0.33 -1.33 0.00 0.00 177.39 176.24 3h0m h GLU 409 N 0.00 -0.05 -4.81 3.23 5.08 -1.82 -3.40 114.58 112.82 3h0m h GLU 409 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3h0m h GLU 409 Cb 0.73 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.81 3h0m h GLU 409 CO 0.00 -0.03 -0.50 1.21 -1.00 0.00 0.00 179.01 178.69 3h0m s ASN 410 N -2.12 6.04 0.43 1.42 3.84 -1.26 -4.97 114.94 118.31 3h0m s ASN 410 Ca -0.01 -0.22 0.25 0.00 0.21 0.00 0.00 52.86 53.10 3h0m s ASN 410 Cb 0.00 -2.13 1.29 0.00 -0.55 0.00 0.00 41.25 39.86 3h0m s ASN 410 CO 0.02 -0.14 1.70 -0.65 -2.79 0.00 0.00 177.10 175.23 3h0m h PRO 411 N 8.43 0.21 -0.93 0.43 0.11 -1.82 -0.84 132.00 137.58 3h0m h PRO 411 Ca -0.33 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.82 3h0m h PRO 411 Cb 1.17 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3h0m h PRO 411 CO 0.59 0.14 0.59 0.82 -0.21 0.00 0.00 178.00 179.93 3h0m h ILE 412 N 0.21 1.09 -0.61 4.15 2.04 -1.93 -1.55 117.51 120.92 3h0m h ILE 412 Ca 0.71 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 66.28 3h0m h ILE 412 Cb 2.10 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3h0m h ILE 412 CO -0.34 0.20 0.41 -0.33 0.00 0.00 0.00 178.15 178.08 3h0m h GLU 413 N 1.10 0.44 -0.48 2.37 5.08 -1.44 0.40 114.58 122.04 3h0m h GLU 413 Ca 0.39 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3h0m h GLU 413 Cb 0.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3h0m h GLU 413 CO -0.16 0.29 -0.22 1.98 -1.00 0.00 0.00 179.01 179.90 3h0m h MET 414 N 0.45 1.00 -0.62 2.33 4.05 -1.37 -3.25 114.93 117.52 3h0m h MET 414 Ca 0.28 -0.43 -0.05 0.00 -0.28 0.00 0.00 59.70 59.22 3h0m h MET 414 Cb 0.50 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 3h0m h MET 414 CO -0.08 1.10 0.18 1.88 0.23 0.00 0.00 176.91 180.22 3h0m h TYR 415 N 0.85 0.99 0.00 1.39 0.05 -0.81 -2.37 116.97 117.07 3h0m h TYR 415 Ca 0.11 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3h0m h TYR 415 Cb 0.80 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.25 3h0m h TYR 415 CO 0.05 0.80 0.13 1.28 -1.05 0.00 0.00 178.16 179.37 3h0m n LEU 416 N -4.27 0.35 0.26 3.88 4.77 -0.80 -0.85 117.00 120.35 3h0m n LEU 416 Ca 0.05 0.61 0.14 0.00 -0.03 0.00 0.00 56.01 56.78 3h0m n LEU 416 Cb 0.22 -0.62 0.69 0.00 -2.33 0.00 0.00 43.42 41.38 3h0m n LEU 416 CO 0.41 -0.73 0.95 0.28 -1.33 0.00 0.00 177.39 176.97 3h0m h SER 417 N 0.00 0.00 -0.14 -1.43 0.02 -1.56 -3.28 113.55 107.16 3h0m h SER 417 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h0m h SER 417 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3h0m h SER 417 CO 0.00 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 3h0m n ASP 418 N -3.33 3.01 0.15 3.07 8.00 -0.03 -4.58 116.55 122.84 3h0m n ASP 418 Ca -0.01 -1.96 0.19 0.00 0.71 0.00 0.00 54.79 53.72 3h0m n ASP 418 Cb 0.30 -0.08 0.79 0.00 -0.02 0.00 0.00 41.12 42.11 3h0m n ASP 418 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3h0m h ILE 419 N 4.42 0.41 -0.01 0.53 3.07 -1.73 0.14 117.51 124.35 3h0m h ILE 419 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3h0m h ILE 419 Cb 0.95 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 3h0m h ILE 419 CO 0.00 0.00 -0.61 0.18 -1.05 0.00 0.00 178.15 176.67 3h0m n LEU 420 N -3.74 1.32 -0.09 0.16 4.77 -1.26 -4.59 117.00 113.57 3h0m n LEU 420 Ca 0.04 -0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 55.29 3h0m n LEU 420 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3h0m n LEU 420 CO 0.27 0.28 -1.06 0.35 -1.33 0.00 0.00 177.39 175.89 3h0m n THR 421 N -0.74 1.10 0.07 -5.08 -2.24 0.39 -4.63 114.28 103.15 3h0m n THR 421 Ca 0.06 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 3h0m n THR 421 Cb 0.34 -0.83 0.28 0.00 -2.10 0.00 0.00 70.33 68.01 3h0m n THR 421 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3h0m h VAL 422 N 0.00 1.24 -0.93 2.28 -1.51 -1.39 -2.96 116.25 112.99 3h0m h VAL 422 Ca -0.43 -1.14 0.22 0.00 -1.23 0.00 0.00 66.70 64.12 3h0m h VAL 422 Cb 1.85 1.37 -0.12 0.00 -2.13 0.00 0.00 31.29 32.26 3h0m h VAL 422 CO -0.01 0.35 0.47 -0.65 -1.23 0.00 0.00 177.57 176.50 3h0m h PRO 423 N 0.29 0.47 -0.02 5.19 0.11 -1.84 -1.64 132.00 134.57 3h0m h PRO 423 Ca 0.05 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 3h0m h PRO 423 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3h0m h PRO 423 CO 0.04 0.31 -0.48 0.00 -0.21 0.00 0.00 178.00 177.67 3h0m h ALA 424 N 1.70 1.17 -0.12 -0.75 0.00 -1.83 -2.26 119.26 117.17 3h0m h ALA 424 Ca 0.58 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3h0m h ALA 424 Cb 1.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h0m h ALA 424 CO -0.49 0.61 -0.62 -0.91 0.00 0.00 0.00 179.25 177.83 3h0m h ASN 425 N 0.04 0.75 -0.61 0.00 4.21 -1.46 0.84 115.58 119.35 3h0m h ASN 425 Ca -0.00 -0.64 0.12 0.00 1.21 0.00 0.00 56.30 56.98 3h0m h ASN 425 Cb 0.86 -0.22 -0.09 0.00 -1.12 0.00 0.00 38.32 37.75 3h0m h ASN 425 CO 0.06 1.27 0.13 -0.07 -1.29 0.00 0.00 177.43 177.54 3h0m h LEU 426 N 0.28 0.00 -0.42 1.61 3.38 -1.28 -1.73 115.31 117.15 3h0m h LEU 426 Ca -0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h0m h LEU 426 Cb 1.27 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3h0m h LEU 426 CO 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 178.44 178.60 3h0m n ALA 427 N -2.60 2.72 -1.77 1.53 0.00 -0.86 -4.86 120.51 114.66 3h0m n ALA 427 Ca 0.09 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 3h0m n ALA 427 Cb 0.33 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 3h0m n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 428 N 1.19 0.82 3.89 0.00 0.00 -0.65 -4.98 105.19 105.46 3h0m n GLY 428 Ca 0.18 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3h0m n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 429 N -3.74 4.04 0.51 0.99 1.43 0.24 -2.16 118.68 119.99 3h0m s LEU 429 Ca 0.00 0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 3h0m s LEU 429 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 3h0m s LEU 429 CO 0.00 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.32 3h0m s PRO 430 N -3.47 3.56 -0.23 1.29 0.04 -1.26 -4.59 135.00 130.35 3h0m s PRO 430 Ca 0.46 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 3h0m s PRO 430 Cb -0.11 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.39 3h0m s PRO 430 CO 0.29 -0.67 0.58 0.00 0.04 0.00 0.00 177.00 177.24 3h0m s ALA 431 N -1.79 -1.51 0.03 8.56 0.00 -0.11 -1.68 121.76 125.26 3h0m s ALA 431 Ca 0.69 1.91 0.06 0.00 0.00 0.00 0.00 51.96 54.62 3h0m s ALA 431 Cb -0.23 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 3h0m s ALA 431 CO 0.26 -0.31 -0.16 -1.50 0.00 0.00 0.00 175.76 174.05 3h0m s ILE 432 N 1.05 2.91 -0.12 0.00 2.07 -0.48 -1.67 121.20 124.96 3h0m s ILE 432 Ca -0.06 -1.09 0.00 0.00 -1.41 0.00 0.00 60.65 58.09 3h0m s ILE 432 Cb -0.05 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.30 3h0m s ILE 432 CO -0.10 0.37 -0.13 -0.55 -1.91 0.00 0.00 174.94 172.62 3h0m s SER 433 N -1.37 4.03 -0.05 4.50 0.15 -0.31 -1.63 113.70 119.02 3h0m s SER 433 Ca 0.15 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.51 3h0m s SER 433 Cb -0.11 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 3h0m s SER 433 CO 0.05 0.18 -0.10 -0.63 1.20 0.00 0.00 173.24 173.95 3h0m s ILE 434 N 0.25 0.92 0.07 6.45 -1.09 -0.03 -1.63 121.20 126.13 3h0m s ILE 434 Ca -0.09 -0.37 -0.31 0.00 -2.23 0.00 0.00 60.65 57.65 3h0m s ILE 434 Cb -0.15 -0.86 -0.06 0.00 -1.58 0.00 0.00 42.46 39.81 3h0m s ILE 434 CO 0.05 0.30 1.23 -2.84 -1.23 0.00 0.00 174.94 172.45 3h0m s PRO 435 N 0.62 4.41 0.00 2.79 0.02 -1.26 0.55 135.00 142.13 3h0m s PRO 435 Ca -0.12 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.72 3h0m s PRO 435 Cb -0.14 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3h0m s PRO 435 CO 0.02 -0.29 0.00 0.44 -0.33 0.00 0.00 177.00 176.85 3h0m n ILE 436 N 3.94 0.00 -3.68 2.83 -5.35 0.57 -4.86 119.36 112.81 3h0m n ILE 436 Ca 0.09 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.40 3h0m n ILE 436 Cb 0.46 0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 39.01 3h0m n ILE 436 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h0m s ALA 437 N -1.67 -1.94 -0.11 -1.28 0.00 -1.22 -4.88 121.76 110.66 3h0m s ALA 437 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3h0m s ALA 437 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.61 3h0m s ALA 437 CO 0.00 -1.02 -0.15 -1.58 0.00 0.00 0.00 175.76 173.01 3h0m s TRP 438 N -2.86 2.00 -0.10 0.00 0.52 -1.26 -1.45 118.94 115.79 3h0m s TRP 438 Ca 0.13 -0.94 -0.00 0.00 0.02 0.00 0.00 56.10 55.30 3h0m s TRP 438 Cb 0.01 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 3h0m s TRP 438 CO -0.01 -0.48 -0.07 0.15 0.02 0.00 0.00 176.95 176.56 3h0m s LYS 439 N 0.99 1.38 -1.56 4.98 -0.14 -0.06 -4.70 119.74 120.64 3h0m s LYS 439 Ca -0.06 -0.21 -0.03 0.00 -1.36 0.00 0.00 55.97 54.31 3h0m s LYS 439 Cb -0.15 -1.45 0.01 0.00 -1.68 0.00 0.00 37.83 34.56 3h0m s LYS 439 CO -0.02 -0.24 0.31 -0.25 -0.76 0.00 0.00 175.35 174.40 3h0m n ASP 440 N 4.83 -5.58 0.00 2.83 8.00 -1.26 -2.01 116.55 123.36 3h0m n ASP 440 Ca -0.13 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3h0m n ASP 440 Cb 0.50 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 3h0m n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 441 N -1.23 1.24 3.46 0.44 0.00 -1.26 -5.05 105.19 102.79 3h0m n GLY 441 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3h0m n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 442 N 0.00 2.68 0.62 0.99 1.43 -0.85 -4.91 118.68 118.64 3h0m s LEU 442 Ca 0.00 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 3h0m s LEU 442 Cb 0.00 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3h0m s LEU 442 CO 0.00 0.34 1.22 -2.84 0.23 0.00 0.00 176.35 175.30 3h0m s PRO 443 N -0.75 2.81 -0.04 1.29 0.02 -1.26 -0.88 135.00 136.19 3h0m s PRO 443 Ca 0.11 1.84 0.02 0.00 0.02 0.00 0.00 61.00 62.99 3h0m s PRO 443 Cb -0.11 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3h0m s PRO 443 CO 0.01 -1.34 -0.09 0.08 -0.33 0.00 0.00 177.00 175.33 3h0m s VAL 444 N -1.64 0.85 -0.12 3.83 1.01 -0.53 -4.64 120.40 119.16 3h0m s VAL 444 Ca 0.77 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3h0m s VAL 444 Cb -0.31 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3h0m s VAL 444 CO 0.36 0.28 0.10 -0.83 0.00 0.00 0.00 175.10 175.00 3h0m s GLY 445 N 0.46 2.07 -0.12 4.51 0.00 -1.26 -0.32 107.32 112.67 3h0m s GLY 445 Ca -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 3h0m s GLY 445 CO 0.01 -0.39 0.08 -0.32 0.00 0.00 0.00 173.10 172.48 3h0m s GLY 446 N -0.89 2.02 -0.10 0.20 0.00 0.19 -1.92 107.32 106.82 3h0m s GLY 446 Ca 0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 3h0m s GLY 446 CO 0.03 -0.39 -0.03 1.62 0.00 0.00 0.00 173.10 174.33 3h0m s GLN 447 N -0.81 3.15 -0.13 2.90 0.74 0.10 -0.85 119.66 124.76 3h0m s GLN 447 Ca 0.13 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.07 3h0m s GLN 447 Cb -0.12 -2.78 0.01 0.00 1.10 0.00 0.00 33.01 31.23 3h0m s GLN 447 CO 0.03 0.53 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.61 3h0m s LEU 448 N -0.43 1.90 -0.22 3.68 1.43 -0.65 -2.33 118.68 122.06 3h0m s LEU 448 Ca 0.07 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 3h0m s LEU 448 Cb -0.12 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3h0m s LEU 448 CO 0.02 0.03 0.12 -0.63 0.23 0.00 0.00 176.35 176.12 3h0m s ILE 449 N 1.01 5.11 0.47 -0.59 1.01 0.27 -1.38 121.20 127.09 3h0m s ILE 449 Ca -0.04 0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3h0m s ILE 449 Cb -0.15 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.97 3h0m s ILE 449 CO -0.04 0.38 0.42 -0.83 0.00 0.00 0.00 174.94 174.87 3h0m s GLY 450 N 0.87 2.18 0.70 6.18 0.00 -0.67 -1.28 107.32 115.31 3h0m s GLY 450 Ca 0.06 -1.73 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3h0m s GLY 450 CO 0.03 -1.78 1.09 0.54 0.00 0.00 0.00 173.10 172.97 3h0m s LYS 451 N -4.22 2.65 -0.04 2.90 1.02 -1.26 -4.08 119.74 116.71 3h0m s LYS 451 Ca 0.45 1.21 -0.37 0.00 0.02 0.00 0.00 55.97 57.27 3h0m s LYS 451 Cb -0.03 -1.94 -0.16 0.00 -0.52 0.00 0.00 37.83 35.18 3h0m s LYS 451 CO 0.27 -1.34 1.54 0.72 -0.92 0.00 0.00 175.35 175.62 3h0m n HIS 452 N -2.95 1.83 -0.96 3.18 8.25 -1.26 -1.11 115.22 122.19 3h0m n HIS 452 Ca 0.09 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 3h0m n HIS 452 Cb 0.53 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.22 3h0m n HIS 452 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3h0m n TRP 453 N 3.87 0.00 -1.95 4.41 7.02 -1.26 -4.93 117.44 124.61 3h0m n TRP 453 Ca 0.21 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.32 3h0m n TRP 453 Cb 0.19 -0.28 0.04 0.00 -2.42 0.00 0.00 31.31 28.84 3h0m n TRP 453 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3h0m n ASP 454 N -0.08 7.01 0.20 -0.99 2.03 -0.27 -4.61 116.55 119.85 3h0m n ASP 454 Ca 0.00 -3.81 0.04 0.00 0.52 0.00 0.00 54.79 51.54 3h0m n ASP 454 Cb 0.04 -0.94 0.44 0.00 -0.72 0.00 0.00 41.12 39.94 3h0m n ASP 454 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3h0m h GLU 455 N 2.79 0.02 -0.27 -0.67 3.07 -1.92 -3.13 114.58 114.47 3h0m h GLU 455 Ca 0.52 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.44 3h0m h GLU 455 Cb 0.30 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.13 3h0m h GLU 455 CO 1.34 0.27 -0.40 1.15 -1.40 0.00 0.00 179.01 179.97 3h0m h THR 456 N 0.02 0.16 -0.25 1.13 2.02 -1.98 0.60 112.91 114.61 3h0m h THR 456 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3h0m h THR 456 Cb 0.45 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3h0m h THR 456 CO 0.03 0.00 0.13 0.74 0.37 0.00 0.00 175.52 176.79 3h0m h THR 457 N -0.39 1.00 -0.90 3.16 2.02 -1.94 0.25 112.91 116.11 3h0m h THR 457 Ca 0.11 -0.09 0.16 0.00 0.77 0.00 0.00 66.41 67.36 3h0m h THR 457 Cb 0.59 0.70 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 3h0m h THR 457 CO -0.48 0.05 0.50 -0.07 0.37 0.00 0.00 175.52 175.89 3h0m h LEU 458 N 0.27 0.63 -0.19 2.58 4.07 -1.52 -1.31 115.31 119.85 3h0m h LEU 458 Ca 0.10 0.09 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 3h0m h LEU 458 Cb 0.02 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.75 3h0m h LEU 458 CO -0.07 0.26 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.15 3h0m h LEU 459 N 0.69 0.62 0.06 1.67 3.38 0.66 -2.52 115.31 119.86 3h0m h LEU 459 Ca 0.50 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3h0m h LEU 459 Cb 0.70 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3h0m h LEU 459 CO -0.36 1.04 -0.13 1.56 0.09 0.00 0.00 178.44 180.64 3h0m h GLN 460 N 0.22 -0.24 -0.17 1.13 4.20 0.21 0.04 115.11 120.50 3h0m h GLN 460 Ca 0.01 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3h0m h GLN 460 Cb 0.93 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3h0m h GLN 460 CO 0.08 -0.16 0.05 0.82 -0.67 0.00 0.00 178.83 178.95 3h0m h ILE 461 N -0.25 1.08 -0.52 2.54 2.04 -1.32 0.21 117.51 121.30 3h0m h ILE 461 Ca 0.03 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3h0m h ILE 461 Cb 0.27 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3h0m h ILE 461 CO -0.09 0.10 0.11 -1.28 0.00 0.00 0.00 178.15 176.99 3h0m h SER 462 N 0.24 0.80 -0.56 1.72 0.87 -0.89 -0.50 113.55 115.23 3h0m h SER 462 Ca 0.06 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 3h0m h SER 462 Cb 0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3h0m h SER 462 CO -0.00 0.83 0.20 0.22 -0.53 0.00 0.00 176.83 177.55 3h0m h TYR 463 N 0.73 0.87 -0.51 2.24 3.20 0.30 -2.26 116.97 121.52 3h0m h TYR 463 Ca 0.16 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3h0m h TYR 463 Cb 0.35 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3h0m h TYR 463 CO 0.02 0.72 0.15 1.25 -1.64 0.00 0.00 178.16 178.67 3h0m h LEU 464 N 0.77 0.76 -1.26 2.82 5.85 -0.83 -2.98 115.31 120.44 3h0m h LEU 464 Ca 0.18 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3h0m h LEU 464 Cb 0.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3h0m h LEU 464 CO -0.01 0.78 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.33 3h0m h TRP 465 N 0.71 0.16 0.00 1.25 2.91 -0.86 -2.78 115.95 117.33 3h0m h TRP 465 Ca 0.16 -0.03 -0.12 0.00 1.13 0.00 0.00 58.89 60.04 3h0m h TRP 465 Cb 0.29 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 3h0m h TRP 465 CO 0.02 0.42 -0.55 1.05 -1.03 0.00 0.00 178.44 178.34 3h0m h GLU 466 N 0.13 0.00 -0.31 2.65 4.11 -1.27 0.22 114.58 120.11 3h0m h GLU 466 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3h0m h GLU 466 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3h0m h GLU 466 CO 0.04 0.55 0.15 1.96 0.07 0.00 0.00 179.01 181.78 3h0m h GLN 467 N 0.00 0.44 -0.29 1.06 1.08 -1.40 -2.76 115.11 113.24 3h0m h GLN 467 Ca -0.01 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 3h0m h GLN 467 Cb 1.10 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 3h0m h GLN 467 CO 0.07 0.41 -0.29 0.87 -0.95 0.00 0.00 178.83 178.94 3h0m h LYS 468 N 0.36 0.60 -2.66 1.46 1.57 -1.31 -3.42 116.57 113.17 3h0m h LYS 468 Ca 0.10 -0.25 -0.42 0.00 -1.87 0.00 0.00 60.65 58.21 3h0m h LYS 468 Cb 0.12 -0.02 -0.38 0.00 0.08 0.00 0.00 32.23 32.03 3h0m h LYS 468 CO -0.01 0.82 -0.70 0.12 -0.57 0.00 0.00 179.45 179.11 3h0m s PHE 469 N -4.45 -0.02 -1.27 -1.35 5.36 0.74 -5.07 117.98 111.91 3h0m s PHE 469 Ca -0.08 -0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 55.47 3h0m s PHE 469 Cb 0.13 -0.62 0.15 0.00 -0.34 0.00 0.00 43.02 42.34 3h0m s PHE 469 CO 0.81 -0.70 1.73 1.63 -1.46 0.00 0.00 175.22 177.23 3h0m n LYS 470 N 5.29 3.41 0.19 10.12 5.02 -1.07 -4.21 118.16 136.91 3h0m n LYS 470 Ca -0.05 -3.54 0.14 0.00 -2.02 0.00 0.00 58.31 52.84 3h0m n LYS 470 Cb 0.47 -3.06 0.58 0.00 -0.02 0.00 0.00 35.03 33.00 3h0m n LYS 470 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3h0m h HIS 471 N 6.46 0.00 0.00 2.13 2.07 -1.91 -2.84 115.15 121.06 3h0m h HIS 471 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3h0m h HIS 471 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 3h0m h HIS 471 CO 1.23 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.57 3h0m n TYR 472 N -2.58 0.09 0.08 6.12 0.18 -1.26 -2.40 117.16 117.39 3h0m n TYR 472 Ca 0.01 0.03 0.07 0.00 1.88 0.00 0.00 57.90 59.90 3h0m n TYR 472 Cb 0.25 -0.55 -0.02 0.00 -0.38 0.00 0.00 39.34 38.64 3h0m n TYR 472 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3h0m h GLU 473 N 0.00 0.00 -6.13 -3.48 5.08 -1.89 -3.44 114.58 104.72 3h0m h GLU 473 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3h0m h GLU 473 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3h0m h GLU 473 CO 0.00 0.12 1.25 0.15 -1.00 0.00 0.00 179.01 179.54 3h0m s LYS 474 N -3.18 2.86 -0.22 2.33 -0.14 -1.01 -4.97 119.74 115.40 3h0m s LYS 474 Ca -0.01 0.40 -0.03 0.00 -1.36 0.00 0.00 55.97 54.97 3h0m s LYS 474 Cb 0.09 -4.30 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 3h0m s LYS 474 CO 0.79 -2.48 -0.06 0.42 -0.76 0.00 0.00 175.35 173.26 3h0m s ILE 475 N 7.86 3.13 0.88 2.17 1.01 -1.26 -5.06 121.20 129.93 3h0m s ILE 475 Ca 0.58 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3h0m s ILE 475 Cb -0.12 -2.44 0.14 0.00 0.01 0.00 0.00 42.46 40.06 3h0m s ILE 475 CO 0.20 0.40 1.24 -2.16 0.00 0.00 0.00 174.94 174.63 3h0m s PRO 476 N 1.43 1.27 -1.13 2.79 0.04 -1.26 -4.32 135.00 133.83 3h0m s PRO 476 Ca 0.05 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 60.61 3h0m s PRO 476 Cb -0.14 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3h0m s PRO 476 CO -0.05 -2.00 0.70 1.28 0.04 0.00 0.00 177.00 176.97 3h0m n LEU 477 N -3.52 -1.31 0.00 -3.56 4.77 -1.26 -4.89 117.00 107.23 3h0m n LEU 477 Ca 0.12 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3h0m n LEU 477 Cb 0.60 -1.86 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 3h0m n LEU 477 CO 0.50 0.62 0.00 0.35 -1.33 0.00 0.00 177.39 177.53