#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqi s TYR 5 N 0.00 0.68 -0.20 6.34 -0.85 -1.26 -5.14 117.35 116.92 1jqi s TYR 5 Ca 0.00 -0.29 -0.07 0.00 -0.52 0.00 0.00 57.07 56.20 1jqi s TYR 5 Cb 0.00 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.88 1jqi s TYR 5 CO 0.00 -0.03 0.05 -1.14 -1.52 0.00 0.00 175.55 172.91 1jqi s GLN 6 N -0.82 3.81 0.23 -3.49 0.74 -1.26 -5.10 119.66 113.78 1jqi s GLN 6 Ca -0.02 -0.42 0.08 0.00 0.05 0.00 0.00 55.36 55.05 1jqi s GLN 6 Cb -0.06 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1jqi s GLN 6 CO 0.00 0.10 0.06 -1.54 -0.55 0.00 0.00 175.29 173.37 1jqi s SER 7 N 0.82 4.95 0.00 6.67 1.04 -1.26 -5.11 113.70 120.81 1jqi s SER 7 Ca 0.03 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1jqi s SER 7 Cb -0.14 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1jqi s SER 7 CO 0.02 0.02 0.00 0.55 0.98 0.00 0.00 173.24 174.81 1jqi n VAL 8 N -0.72 0.00 -3.77 5.02 3.14 -1.26 -4.76 118.33 115.98 1jqi n VAL 8 Ca -0.08 0.01 -0.30 0.00 -2.96 0.00 0.00 64.34 61.01 1jqi n VAL 8 Cb 0.57 -0.94 -0.13 0.00 -1.06 0.00 0.00 33.84 32.28 1jqi n VAL 8 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1jqi s GLU 9 N 0.00 1.40 0.09 1.45 0.41 -1.26 -5.10 118.70 115.68 1jqi s GLU 9 Ca 0.00 -2.07 -0.25 0.00 -0.41 0.00 0.00 54.97 52.24 1jqi s GLU 9 Cb 0.00 -2.54 -0.06 0.00 -1.78 0.00 0.00 34.13 29.74 1jqi s GLU 9 CO 0.00 -1.13 0.78 -1.17 -0.49 0.00 0.00 175.26 173.25 1jqi s LEU 10 N 0.32 4.50 0.45 1.80 2.96 -1.26 -5.02 118.68 122.43 1jqi s LEU 10 Ca 0.17 1.53 -0.24 0.00 -0.22 0.00 0.00 54.13 55.37 1jqi s LEU 10 Cb -0.24 -3.27 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 1jqi s LEU 10 CO -0.01 0.08 1.20 -2.65 -1.32 0.00 0.00 176.35 173.65 1jqi n PRO 11 N 2.41 1.69 0.13 0.98 -0.02 -1.26 -4.77 135.00 134.16 1jqi n PRO 11 Ca -0.03 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1jqi n PRO 11 Cb 0.50 -2.32 0.67 0.00 -0.02 0.00 0.00 33.50 32.32 1jqi n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jqi h GLU 12 N 1.74 0.00 -0.57 -0.52 4.81 -1.99 -0.24 114.58 117.82 1jqi h GLU 12 Ca -0.48 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1jqi h GLU 12 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1jqi h GLU 12 CO 0.58 0.00 0.16 1.15 -0.73 0.00 0.00 179.01 180.17 1jqi h THR 13 N 0.00 1.22 0.03 0.32 2.02 -2.00 -1.07 112.91 113.44 1jqi h THR 13 Ca 0.12 -0.79 -0.24 0.00 0.77 0.00 0.00 66.41 66.28 1jqi h THR 13 Cb 0.50 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1jqi h THR 13 CO -0.00 0.30 -1.15 0.45 0.37 0.00 0.00 175.52 175.49 1jqi h HIS 14 N 0.83 0.11 -0.46 3.16 3.86 -1.43 -2.43 115.15 118.80 1jqi h HIS 14 Ca 0.19 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1jqi h HIS 14 Cb 0.27 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1jqi h HIS 14 CO 0.02 1.07 -0.21 1.96 0.86 0.00 0.00 177.93 181.63 1jqi h GLN 15 N 0.02 0.95 -0.34 2.45 4.20 -1.08 -1.01 115.11 120.29 1jqi h GLN 15 Ca -0.08 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 1jqi h GLN 15 Cb 1.85 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 1jqi h GLN 15 CO 0.14 1.08 0.02 0.52 -0.67 0.00 0.00 178.83 179.92 1jqi h MET 16 N 0.79 0.59 -0.87 1.46 2.86 -1.25 -2.34 114.93 116.17 1jqi h MET 16 Ca 0.10 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1jqi h MET 16 Cb 0.79 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1jqi h MET 16 CO 0.07 0.70 0.54 1.25 1.06 0.00 0.00 176.91 180.53 1jqi h LEU 17 N 0.41 0.86 0.02 1.22 7.12 -1.29 -0.90 115.31 122.75 1jqi h LEU 17 Ca 0.10 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1jqi h LEU 17 Cb 0.42 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1jqi h LEU 17 CO 0.01 0.56 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.78 1jqi h ARG 18 N 1.00 -0.02 -0.56 1.25 2.43 -0.99 -1.98 114.38 115.52 1jqi h ARG 18 Ca 0.38 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1jqi h ARG 18 Cb 0.15 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1jqi h ARG 18 CO -0.17 0.14 0.27 0.37 -1.51 0.00 0.00 179.97 179.07 1jqi h GLN 19 N -0.18 0.49 -0.49 0.20 4.15 -0.99 -0.52 115.11 117.77 1jqi h GLN 19 Ca -0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1jqi h GLN 19 Cb 0.17 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1jqi h GLN 19 CO 0.00 0.32 0.26 1.15 -1.93 0.00 0.00 178.83 178.64 1jqi h THR 20 N 0.50 1.18 -0.17 2.39 2.02 -1.05 -1.65 112.91 116.13 1jqi h THR 20 Ca 0.26 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 1jqi h THR 20 Cb 0.20 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1jqi h THR 20 CO -0.20 0.19 -0.50 0.00 0.37 0.00 0.00 175.52 175.39 1jqi h ARG 22 N 0.37 0.95 -0.45 0.00 2.43 -0.88 -0.13 114.38 116.67 1jqi h ARG 22 Ca 0.02 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1jqi h ARG 22 Cb 1.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1jqi h ARG 22 CO 0.09 0.87 0.12 -0.44 -1.51 0.00 0.00 179.97 179.10 1jqi h ASP 23 N 0.86 0.66 0.10 -3.80 3.45 -1.21 0.43 116.42 116.92 1jqi h ASP 23 Ca 0.19 -0.22 -0.00 0.00 0.43 0.00 0.00 57.03 57.42 1jqi h ASP 23 Cb 0.34 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1jqi h ASP 23 CO 0.00 0.71 -0.06 0.15 -1.57 0.00 0.00 179.24 178.47 1jqi h PHE 24 N 0.59 -0.15 -0.90 4.55 3.57 -1.07 0.27 116.94 123.80 1jqi h PHE 24 Ca 0.14 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1jqi h PHE 24 Cb 0.30 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1jqi h PHE 24 CO 0.02 -0.10 0.59 0.00 -2.23 0.00 0.00 178.31 176.59 1jqi h ALA 25 N 0.74 1.14 -0.16 2.41 0.00 -0.91 0.94 119.26 123.42 1jqi h ALA 25 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1jqi h ALA 25 Cb 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jqi h ALA 25 CO 0.01 0.54 -0.36 1.49 0.00 0.00 0.00 179.25 180.93 1jqi h GLU 26 N 1.22 0.33 0.10 0.00 4.57 -0.51 0.19 114.58 120.47 1jqi h GLU 26 Ca 0.33 -0.14 -0.33 0.00 -1.18 0.00 0.00 59.36 58.03 1jqi h GLU 26 Cb -0.14 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 1jqi h GLU 26 CO -0.07 0.65 -1.82 1.17 -1.18 0.00 0.00 179.01 177.76 1jqi n LYS 27 N -4.06 0.72 -0.09 1.92 4.81 0.92 -4.43 118.16 117.94 1jqi n LYS 27 Ca -0.01 0.34 -0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1jqi n LYS 27 Cb 0.45 -1.72 -0.16 0.00 0.02 0.00 0.00 35.03 33.62 1jqi n LYS 27 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jqi n GLU 28 N -3.72 0.69 -0.13 1.64 -0.58 0.32 -4.75 120.64 114.11 1jqi n GLU 28 Ca -0.32 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.17 1jqi n GLU 28 Cb 0.96 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 30.20 1jqi n GLU 28 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jqi n LEU 29 N -2.75 2.13 -0.16 -4.62 4.77 -0.57 -4.53 117.00 111.28 1jqi n LEU 29 Ca -0.31 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 55.84 1jqi n LEU 29 Cb 1.14 -0.79 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1jqi n LEU 29 CO 0.43 0.64 0.73 0.58 -1.33 0.00 0.00 177.39 178.44 1jqi h VAL 30 N -0.70 0.41 0.00 4.08 2.07 -0.83 -0.50 116.25 120.77 1jqi h VAL 30 Ca -0.64 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1jqi h VAL 30 Cb 1.65 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jqi h VAL 30 CO -0.32 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.82 1jqi h PRO 31 N -0.06 0.00 -0.00 1.57 0.13 -1.84 -3.23 132.00 128.57 1jqi h PRO 31 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1jqi h PRO 31 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1jqi h PRO 31 CO -0.55 0.00 -0.27 0.44 -0.23 0.00 0.00 178.00 177.39 1jqi n ILE 32 N -2.37 0.00 -0.30 -3.56 -5.35 -0.82 -4.71 119.36 102.25 1jqi n ILE 32 Ca 0.01 -0.37 0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1jqi n ILE 32 Cb 0.20 1.00 0.28 0.00 -1.74 0.00 0.00 39.64 39.39 1jqi n ILE 32 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jqi h ALA 33 N 0.82 1.37 -0.19 -1.28 0.00 -1.13 -0.76 119.26 118.09 1jqi h ALA 33 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jqi h ALA 33 Cb 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jqi h ALA 33 CO 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 179.25 179.06 1jqi h ALA 34 N 1.66 0.25 -0.16 0.00 0.00 -1.84 -1.76 119.26 117.41 1jqi h ALA 34 Ca 0.53 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1jqi h ALA 34 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jqi h ALA 34 CO -0.48 -0.18 -0.27 -0.56 0.00 0.00 0.00 179.25 177.76 1jqi h GLN 35 N 0.17 0.30 -0.49 0.00 3.07 -1.60 -0.98 115.11 115.59 1jqi h GLN 35 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 1jqi h GLN 35 Cb 0.15 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 1jqi h GLN 35 CO -0.01 0.56 0.08 -0.07 0.09 0.00 0.00 178.83 179.48 1jqi h LEU 36 N 0.27 0.77 -0.44 0.06 3.38 -0.98 -0.77 115.31 117.60 1jqi h LEU 36 Ca 0.04 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1jqi h LEU 36 Cb 0.62 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jqi h LEU 36 CO 0.04 0.83 0.01 -0.78 0.09 0.00 0.00 178.44 178.64 1jqi h ASP 37 N 0.68 0.75 -0.44 -0.43 1.82 -0.98 -0.02 116.42 117.81 1jqi h ASP 37 Ca 0.15 -0.30 -0.11 0.00 -0.39 0.00 0.00 57.03 56.38 1jqi h ASP 37 Cb 0.38 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1jqi h ASP 37 CO 0.01 0.87 -0.17 0.50 -1.61 0.00 0.00 179.24 178.83 1jqi h LYS 38 N 0.62 0.89 -0.02 0.28 1.63 -1.07 -3.23 116.57 115.67 1jqi h LYS 38 Ca 0.13 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1jqi h LYS 38 Cb 0.47 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1jqi h LYS 38 CO 0.02 1.02 -0.16 0.39 -3.45 0.00 0.00 179.45 177.27 1jqi n GLU 39 N -4.21 1.51 -3.74 1.90 1.02 -0.31 -4.94 120.64 111.87 1jqi n GLU 39 Ca -0.01 -1.06 -0.25 0.00 -0.02 0.00 0.00 57.16 55.82 1jqi n GLU 39 Cb 0.42 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.41 1jqi n GLU 39 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jqi n HIS 40 N 0.18 -2.24 -3.56 -0.32 8.25 -0.07 -4.94 115.22 112.52 1jqi n HIS 40 Ca 0.14 0.90 -0.37 0.00 -0.26 0.00 0.00 57.72 58.14 1jqi n HIS 40 Cb 0.43 -4.40 -0.09 0.00 1.12 0.00 0.00 29.99 27.05 1jqi n HIS 40 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1jqi s LEU 41 N -6.98 4.13 0.07 2.41 0.20 -0.91 -4.78 118.68 112.82 1jqi s LEU 41 Ca 0.35 0.27 -0.31 0.00 0.69 0.00 0.00 54.13 55.13 1jqi s LEU 41 Cb -0.17 -2.26 -0.07 0.00 -0.43 0.00 0.00 46.19 43.26 1jqi s LEU 41 CO 0.80 0.02 1.36 0.12 -0.29 0.00 0.00 176.35 178.35 1jqi s PHE 42 N 1.12 3.18 -1.12 5.38 2.19 -1.24 -4.70 117.98 122.78 1jqi s PHE 42 Ca 0.12 0.98 -0.10 0.00 0.33 0.00 0.00 56.93 58.26 1jqi s PHE 42 Cb -0.14 -3.63 -0.07 0.00 -1.31 0.00 0.00 43.02 37.88 1jqi s PHE 42 CO 0.05 -2.19 2.30 -0.35 1.83 0.00 0.00 175.22 176.87 1jqi n PRO 43 N 4.32 2.47 -0.18 10.12 -0.04 -1.26 -4.80 135.00 145.63 1jqi n PRO 43 Ca 0.11 -1.83 -0.10 0.00 -0.04 0.00 0.00 63.50 61.64 1jqi n PRO 43 Cb 0.43 -2.70 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 1jqi n PRO 43 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jqi h THR 44 N 3.57 0.00 -0.96 0.52 2.02 -2.00 -0.91 112.91 115.14 1jqi h THR 44 Ca 0.58 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.82 1jqi h THR 44 Cb 0.33 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 1jqi h THR 44 CO 1.66 0.00 0.62 0.28 0.37 0.00 0.00 175.52 178.45 1jqi h SER 45 N -0.22 1.01 -0.35 4.18 0.02 -2.00 -2.32 113.55 113.86 1jqi h SER 45 Ca 0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1jqi h SER 45 Cb 0.43 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1jqi h SER 45 CO -0.57 0.66 0.05 1.56 -1.14 0.00 0.00 176.83 177.40 1jqi h GLN 46 N 1.16 0.58 -0.97 3.45 7.50 -1.83 -2.07 115.11 122.92 1jqi h GLN 46 Ca 0.40 -0.16 0.02 0.00 0.50 0.00 0.00 58.65 59.42 1jqi h GLN 46 Cb 0.10 -0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.51 1jqi h GLN 46 CO -0.15 0.65 0.64 0.28 -1.50 0.00 0.00 178.83 178.75 1jqi h VAL 47 N 0.41 1.20 -0.18 -0.54 2.07 -0.90 -0.47 116.25 117.84 1jqi h VAL 47 Ca 0.10 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1jqi h VAL 47 Cb 0.36 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1jqi h VAL 47 CO 0.01 0.23 0.08 0.11 0.02 0.00 0.00 177.57 178.02 1jqi h LYS 48 N 1.27 0.26 -0.99 1.57 1.57 -1.19 -0.54 116.57 118.52 1jqi h LYS 48 Ca 0.37 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1jqi h LYS 48 Cb -0.07 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1jqi h LYS 48 CO -0.10 0.30 0.65 0.87 -0.57 0.00 0.00 179.45 180.60 1jqi h LYS 49 N 0.15 1.27 -0.61 3.15 1.57 -0.99 -1.73 116.57 119.38 1jqi h LYS 49 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jqi h LYS 49 Cb 0.13 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1jqi h LYS 49 CO -0.01 0.84 0.40 0.52 -0.57 0.00 0.00 179.45 180.63 1jqi h MET 50 N 1.30 0.80 -0.94 3.15 2.86 -0.66 -2.15 114.93 119.31 1jqi h MET 50 Ca 0.37 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1jqi h MET 50 Cb -0.09 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.34 1jqi h MET 50 CO -0.10 0.54 0.62 0.78 1.06 0.00 0.00 176.91 179.81 1jqi h GLY 51 N 0.82 1.34 1.75 8.32 0.00 -0.27 -1.26 103.07 113.77 1jqi h GLY 51 Ca 0.22 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1jqi h GLY 51 CO -0.05 0.45 -0.06 0.83 0.00 0.00 0.00 176.54 177.71 1jqi h GLU 52 N 1.23 0.32 0.00 4.80 5.08 -0.83 0.10 114.58 125.28 1jqi h GLU 52 Ca 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1jqi h GLU 52 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1jqi h GLU 52 CO -0.09 0.40 0.00 1.28 -1.00 0.00 0.00 179.01 179.59 1jqi n LEU 53 N -4.31 0.10 0.00 1.33 4.77 -0.57 -4.88 117.00 113.44 1jqi n LEU 53 Ca -0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1jqi n LEU 53 Cb 0.24 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1jqi n LEU 53 CO 0.38 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1jqi n GLY 54 N 0.92 0.52 0.14 -0.72 0.00 0.36 -4.95 105.19 101.46 1jqi n GLY 54 Ca 0.06 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1jqi n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jqi h LEU 55 N 0.00 0.00 -0.82 0.99 3.38 -1.48 -3.19 115.31 114.19 1jqi h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jqi h LEU 55 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jqi h LEU 55 CO 0.00 0.00 -0.13 0.18 0.09 0.00 0.00 178.44 178.58 1jqi n LEU 56 N -2.37 1.41 -2.68 1.67 4.77 -1.26 -4.28 117.00 114.26 1jqi n LEU 56 Ca 0.03 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.50 1jqi n LEU 56 Cb 0.33 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1jqi n LEU 56 CO 0.25 0.25 0.19 0.00 -1.33 0.00 0.00 177.39 176.75 1jqi n ALA 57 N -0.12 2.38 -0.30 -1.18 0.00 -1.21 -4.11 120.51 115.97 1jqi n ALA 57 Ca 0.15 -2.22 0.02 0.00 0.00 0.00 0.00 53.44 51.39 1jqi n ALA 57 Cb 0.37 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 19.07 1jqi n ALA 57 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jqi h MET 58 N 2.48 1.07 0.00 0.00 2.86 -1.74 -1.19 114.93 118.41 1jqi h MET 58 Ca -0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1jqi h MET 58 Cb 1.24 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1jqi h MET 58 CO 0.21 0.71 -0.62 0.22 1.06 0.00 0.00 176.91 178.49 1jqi h ASP 59 N 1.11 0.00 -2.94 1.22 -0.00 -1.86 -0.62 116.42 113.32 1jqi h ASP 59 Ca 0.36 0.00 -0.53 0.00 -0.00 0.00 0.00 57.03 56.87 1jqi h ASP 59 Cb 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 39.42 1jqi h ASP 59 CO -0.12 0.05 0.77 -0.69 -0.00 0.00 0.00 179.24 179.26 1jqi s VAL 60 N -3.27 3.10 0.79 2.25 1.01 -1.08 -4.67 120.40 118.54 1jqi s VAL 60 Ca 0.02 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 1jqi s VAL 60 Cb 0.08 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 33.03 1jqi s VAL 60 CO 0.74 0.06 1.18 -2.16 0.00 0.00 0.00 175.10 174.92 1jqi s PRO 61 N 1.14 1.79 0.26 2.72 0.04 -1.26 -0.95 135.00 138.73 1jqi s PRO 61 Ca 0.66 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 1jqi s PRO 61 Cb -0.39 -1.80 0.50 0.00 0.04 0.00 0.00 34.50 32.85 1jqi s PRO 61 CO 0.30 -2.07 1.75 0.93 0.04 0.00 0.00 177.00 177.95 1jqi h GLU 62 N -0.86 0.55 -1.01 4.56 4.39 -1.89 -0.81 114.58 119.52 1jqi h GLU 62 Ca -0.46 -0.03 0.23 0.00 0.34 0.00 0.00 59.36 59.44 1jqi h GLU 62 Cb 1.28 -0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 1jqi h GLU 62 CO 0.47 0.36 0.60 0.93 -1.16 0.00 0.00 179.01 180.22 1jqi h GLU 63 N 0.57 0.61 -0.56 2.33 3.07 -1.91 0.24 114.58 118.93 1jqi h GLU 63 Ca 0.44 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1jqi h GLU 63 Cb 0.64 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1jqi h GLU 63 CO -0.37 0.41 0.00 1.28 -1.40 0.00 0.00 179.01 178.93 1jqi n LEU 64 N -4.84 2.89 -0.30 1.33 7.99 -0.73 -4.87 117.00 118.46 1jqi n LEU 64 Ca 0.26 -1.45 -0.03 0.00 -0.01 0.00 0.00 56.01 54.77 1jqi n LEU 64 Cb 0.70 -0.42 -0.01 0.00 -0.11 0.00 0.00 43.42 43.58 1jqi n LEU 64 CO 0.18 0.53 -0.04 -1.20 -1.51 0.00 0.00 177.39 175.36 1jqi n SER 65 N 0.60 -2.68 -4.60 -1.43 7.64 0.85 -4.22 113.62 109.79 1jqi n SER 65 Ca 0.15 0.04 -0.24 0.00 1.01 0.00 0.00 58.87 59.83 1jqi n SER 65 Cb 0.54 -1.18 0.12 0.00 -1.01 0.00 0.00 64.21 62.68 1jqi n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jqi s GLY 66 N -2.92 1.76 0.35 0.23 0.00 -0.39 -4.84 107.32 101.51 1jqi s GLY 66 Ca 0.00 -1.75 0.25 0.00 0.00 0.00 0.00 44.72 43.21 1jqi s GLY 66 CO 0.00 -1.14 1.70 0.00 0.00 0.00 0.00 173.10 173.66 1jqi h ALA 67 N -0.67 1.00 -1.95 3.20 0.00 -0.66 -3.35 119.26 116.83 1jqi h ALA 67 Ca -0.36 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.26 1jqi h ALA 67 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1jqi h ALA 67 CO 0.38 0.00 -0.36 0.41 0.00 0.00 0.00 179.25 179.68 1jqi n GLY 68 N 1.08 -0.09 0.00 0.00 0.00 -0.13 -4.84 105.19 101.22 1jqi n GLY 68 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1jqi n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqi n LEU 69 N -2.04 0.00 -4.27 0.99 4.32 -0.24 -4.93 117.00 110.82 1jqi n LEU 69 Ca -0.17 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.63 1jqi n LEU 69 Cb 0.62 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.34 1jqi n LEU 69 CO 0.20 0.00 -0.09 1.51 -1.22 0.00 0.00 177.39 177.79 1jqi s ASP 70 N -0.80 1.66 0.51 -1.43 3.84 -1.26 -4.60 116.67 114.59 1jqi s ASP 70 Ca 0.00 -1.75 0.29 0.00 -0.00 0.00 0.00 52.55 51.09 1jqi s ASP 70 Cb 0.00 0.57 1.21 0.00 -1.38 0.00 0.00 42.92 43.32 1jqi s ASP 70 CO 0.00 -1.09 1.93 1.88 -0.00 0.00 0.00 175.17 177.90 1jqi h TYR 71 N 2.12 0.00 -0.34 2.11 0.99 -1.93 -1.47 116.97 118.46 1jqi h TYR 71 Ca -0.25 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.32 1jqi h TYR 71 Cb 1.23 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.96 1jqi h TYR 71 CO 1.74 0.10 -0.42 1.25 -0.00 0.00 0.00 178.16 180.83 1jqi h LEU 72 N 0.00 0.93 -0.41 3.88 6.46 -1.94 -1.02 115.31 123.20 1jqi h LEU 72 Ca -0.00 -0.44 -0.09 0.00 -0.12 0.00 0.00 57.88 57.23 1jqi h LEU 72 Cb 0.58 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1jqi h LEU 72 CO 0.01 1.22 -0.10 0.00 -0.62 0.00 0.00 178.44 178.95 1jqi h ALA 73 N 0.82 0.57 -0.58 1.25 0.00 -1.88 -2.71 119.26 116.73 1jqi h ALA 73 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1jqi h ALA 73 Cb 1.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1jqi h ALA 73 CO 0.10 0.44 0.36 -0.92 0.00 0.00 0.00 179.25 179.23 1jqi h TYR 74 N 0.62 0.68 -0.28 0.00 3.20 -1.09 -1.19 116.97 118.90 1jqi h TYR 74 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1jqi h TYR 74 Cb 0.62 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1jqi h TYR 74 CO 0.05 0.39 0.09 1.03 -1.64 0.00 0.00 178.16 178.08 1jqi h SER 75 N 0.72 0.41 -0.70 -2.11 0.87 -1.12 -0.90 113.55 110.72 1jqi h SER 75 Ca 0.23 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1jqi h SER 75 Cb 0.00 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1jqi h SER 75 CO -0.09 0.50 0.31 0.40 -0.53 0.00 0.00 176.83 177.42 1jqi h ILE 76 N 0.30 1.24 -0.27 2.23 2.04 -1.29 -1.68 117.51 120.08 1jqi h ILE 76 Ca 0.09 -0.71 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 1jqi h ILE 76 Cb 0.24 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1jqi h ILE 76 CO -0.00 0.29 -0.40 0.00 0.00 0.00 0.00 178.15 178.04 1jqi h ALA 77 N 1.15 0.79 -0.15 1.87 0.00 -1.13 -2.92 119.26 118.87 1jqi h ALA 77 Ca 0.24 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1jqi h ALA 77 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jqi h ALA 77 CO -0.03 0.65 -0.46 1.25 0.00 0.00 0.00 179.25 180.67 1jqi h LEU 78 N 0.53 0.40 -0.00 0.00 5.85 -0.95 -2.34 115.31 118.80 1jqi h LEU 78 Ca 0.05 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1jqi h LEU 78 Cb 0.92 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1jqi h LEU 78 CO 0.08 0.80 0.00 -0.08 -0.34 0.00 0.00 178.44 178.90 1jqi h GLU 79 N 0.30 0.00 -0.88 1.25 4.81 -1.23 -0.20 114.58 118.63 1jqi h GLU 79 Ca 0.02 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1jqi h GLU 79 Cb 0.92 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 1jqi h GLU 79 CO 0.08 0.24 0.58 0.93 -0.73 0.00 0.00 179.01 180.11 1jqi h GLU 80 N -0.24 1.11 -0.22 1.92 4.39 -1.46 -0.15 114.58 119.94 1jqi h GLU 80 Ca 0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1jqi h GLU 80 Cb 0.24 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jqi h GLU 80 CO 0.00 0.73 -0.07 0.82 -1.16 0.00 0.00 179.01 179.33 1jqi h ILE 81 N 1.14 1.29 0.00 3.13 1.08 -1.36 -2.94 117.51 119.85 1jqi h ILE 81 Ca 0.34 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1jqi h ILE 81 Cb -0.04 1.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1jqi h ILE 81 CO -0.10 0.34 -0.16 0.28 -0.69 0.00 0.00 178.15 177.81 1jqi h SER 82 N 0.15 0.00 0.44 1.72 0.02 -0.69 -0.13 113.55 115.06 1jqi h SER 82 Ca 0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1jqi h SER 82 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1jqi h SER 82 CO 0.03 0.16 -0.30 -0.09 -1.14 0.00 0.00 176.83 175.49 1jqi h ARG 83 N 0.00 0.00 0.17 3.45 2.43 -0.86 -3.02 114.38 116.56 1jqi h ARG 83 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1jqi h ARG 83 Cb 0.37 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1jqi h ARG 83 CO 0.02 0.30 -1.68 0.78 -1.51 0.00 0.00 179.97 177.88 1jqi h GLY 84 N 1.17 0.42 -5.84 2.80 0.00 -0.98 -3.44 103.07 97.19 1jqi h GLY 84 Ca -0.00 -1.07 0.09 0.00 0.00 0.00 0.00 47.33 46.35 1jqi h GLY 84 CO 0.04 0.94 -0.23 0.00 0.00 0.00 0.00 176.54 177.28 1jqi h ALA 86 N 8.00 1.89 -0.02 0.00 0.00 -1.78 -1.96 119.26 125.38 1jqi h ALA 86 Ca -0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jqi h ALA 86 Cb 1.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1jqi h ALA 86 CO 0.22 0.08 -0.00 0.77 0.00 0.00 0.00 179.25 180.31 1jqi h SER 87 N 0.31 0.03 -0.61 0.00 0.02 -1.90 -2.41 113.55 108.99 1jqi h SER 87 Ca 0.12 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1jqi h SER 87 Cb 0.09 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1jqi h SER 87 CO -0.03 0.41 0.40 0.74 -1.14 0.00 0.00 176.83 177.22 1jqi h THR 88 N -0.35 1.04 -0.49 -2.27 2.02 -1.86 -1.66 112.91 109.36 1jqi h THR 88 Ca 0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1jqi h THR 88 Cb 0.40 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1jqi h THR 88 CO 0.00 0.12 0.27 1.23 0.37 0.00 0.00 175.52 177.51 1jqi h GLY 89 N 0.67 0.73 1.68 2.16 0.00 -1.15 -2.09 103.07 105.07 1jqi h GLY 89 Ca 0.25 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 1jqi h GLY 89 CO -0.07 0.31 -0.72 -0.24 0.00 0.00 0.00 176.54 175.82 1jqi h VAL 90 N 0.65 1.41 -0.76 4.60 3.04 -0.89 -0.93 116.25 123.35 1jqi h VAL 90 Ca 0.17 -2.20 0.01 0.00 -1.01 0.00 0.00 66.70 63.68 1jqi h VAL 90 Cb 0.04 2.16 -0.04 0.00 -2.01 0.00 0.00 31.29 31.44 1jqi h VAL 90 CO -0.03 0.65 0.51 0.40 -1.01 0.00 0.00 177.57 178.09 1jqi h ILE 91 N 0.21 1.18 -0.10 3.17 2.04 -1.18 0.11 117.51 122.95 1jqi h ILE 91 Ca -0.03 -0.35 -0.19 0.00 1.00 0.00 0.00 64.86 65.29 1jqi h ILE 91 Cb 1.29 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1jqi h ILE 91 CO 0.12 0.18 -0.69 -0.03 0.00 0.00 0.00 178.15 177.73 1jqi h MET 92 N 1.01 0.64 -0.72 2.37 4.05 -1.19 -3.08 114.93 118.01 1jqi h MET 92 Ca 0.28 -0.56 -0.05 0.00 -0.28 0.00 0.00 59.70 59.10 1jqi h MET 92 Cb -0.09 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1jqi h MET 92 CO -0.07 1.18 0.27 1.03 0.23 0.00 0.00 176.91 179.55 1jqi h SER 93 N 0.29 1.01 -0.04 1.39 0.87 -0.55 -2.24 113.55 114.28 1jqi h SER 93 Ca -0.06 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1jqi h SER 93 Cb 1.34 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1jqi h SER 93 CO 0.14 0.92 0.02 0.58 -0.53 0.00 0.00 176.83 177.96 1jqi h VAL 94 N 1.04 1.11 -0.90 2.23 2.07 -0.85 -0.45 116.25 120.50 1jqi h VAL 94 Ca 0.24 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1jqi h VAL 94 Cb 0.24 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1jqi h VAL 94 CO -0.02 0.09 0.50 -1.13 0.02 0.00 0.00 177.57 177.03 1jqi h ASN 95 N -0.06 1.12 0.19 0.57 -1.24 -1.47 -1.02 115.58 113.67 1jqi h ASN 95 Ca 0.01 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1jqi h ASN 95 Cb 0.13 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 38.89 1jqi h ASN 95 CO -0.00 0.90 -0.09 0.78 -1.29 0.00 0.00 177.43 177.73 1jqi h ASN 96 N 1.26 -0.21 0.02 1.15 2.35 -1.27 -2.12 115.58 116.76 1jqi h ASN 96 Ca 0.32 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 1jqi h ASN 96 Cb 0.02 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.46 1jqi h ASN 96 CO -0.05 -0.06 -0.63 0.28 -1.65 0.00 0.00 177.43 175.32 1jqi h SER 97 N -0.43 0.52 0.42 5.81 0.02 -1.17 -2.15 113.55 116.57 1jqi h SER 97 Ca -0.03 -0.79 -0.31 0.00 -0.84 0.00 0.00 61.79 59.83 1jqi h SER 97 Cb 0.19 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1jqi h SER 97 CO 0.04 1.24 -1.62 -0.07 -1.14 0.00 0.00 176.83 175.28 1jqi h LEU 98 N -0.14 0.32 0.00 5.07 4.07 -1.38 -3.25 115.31 120.00 1jqi h LEU 98 Ca -0.08 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1jqi h LEU 98 Cb 1.35 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1jqi h LEU 98 CO 0.12 1.43 -0.11 0.00 -1.08 0.00 0.00 178.44 178.80 1jqi n TYR 99 N -3.38 0.20 -0.08 1.13 9.36 -0.49 -4.42 117.16 119.48 1jqi n TYR 99 Ca -0.19 0.09 -0.03 0.00 3.32 0.00 0.00 57.90 61.10 1jqi n TYR 99 Cb 1.04 -0.36 0.21 0.00 -0.63 0.00 0.00 39.34 39.61 1jqi n TYR 99 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jqi h LEU 100 N -0.22 0.67 -0.12 2.98 3.38 -1.49 -3.30 115.31 117.22 1jqi h LEU 100 Ca 0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jqi h LEU 100 Cb 0.11 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1jqi h LEU 100 CO 0.00 0.72 -0.54 1.23 0.09 0.00 0.00 178.44 179.94 1jqi h GLY 101 N 0.93 -1.10 1.62 0.83 0.00 -1.41 -0.76 103.07 103.17 1jqi h GLY 101 Ca 0.14 0.68 -0.09 0.00 0.00 0.00 0.00 47.33 48.06 1jqi h GLY 101 CO 0.01 -0.20 -0.24 -0.56 0.00 0.00 0.00 176.54 175.55 1jqi h PRO 102 N -0.59 0.45 -0.60 4.80 0.13 -1.73 -2.47 132.00 131.98 1jqi h PRO 102 Ca 0.03 -0.16 -0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1jqi h PRO 102 Cb 0.68 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1jqi h PRO 102 CO -0.42 0.66 0.00 0.82 -0.23 0.00 0.00 178.00 178.83 1jqi h ILE 103 N 0.40 1.27 -0.17 -3.56 2.04 -1.58 0.16 117.51 116.07 1jqi h ILE 103 Ca 0.06 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1jqi h ILE 103 Cb 0.64 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1jqi h ILE 103 CO 0.05 0.42 -0.26 0.25 0.00 0.00 0.00 178.15 178.60 1jqi h LEU 104 N 0.96 0.30 0.06 1.44 5.85 -1.02 0.21 115.31 123.10 1jqi h LEU 104 Ca 0.17 -0.10 -0.32 0.00 0.84 0.00 0.00 57.88 58.47 1jqi h LEU 104 Cb 0.55 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1jqi h LEU 104 CO 0.03 0.57 -1.81 0.50 -0.34 0.00 0.00 178.44 177.39 1jqi h LYS 105 N 0.27 0.12 0.00 1.25 3.64 -1.14 -3.41 116.57 117.29 1jqi h LYS 105 Ca 0.04 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1jqi h LYS 105 Cb 0.61 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jqi h LYS 105 CO 0.04 0.81 -1.25 1.19 -2.27 0.00 0.00 179.45 177.98 1jqi n PHE 106 N -3.24 0.00 -1.20 1.91 3.72 0.54 -5.05 117.46 114.13 1jqi n PHE 106 Ca -0.23 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.87 1jqi n PHE 106 Cb 1.05 -0.16 0.10 0.00 -0.94 0.00 0.00 39.48 39.53 1jqi n PHE 106 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqi s GLY 107 N -2.80 1.67 0.61 1.37 0.00 0.72 -4.21 107.32 104.68 1jqi s GLY 107 Ca -0.02 0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.91 1jqi s GLY 107 CO 0.34 0.63 0.92 -1.35 0.00 0.00 0.00 173.10 173.64 1jqi s SER 108 N -3.33 5.44 0.25 1.64 1.04 -1.26 -4.84 113.70 112.64 1jqi s SER 108 Ca 0.62 0.64 -0.04 0.00 0.48 0.00 0.00 55.95 57.65 1jqi s SER 108 Cb -0.18 -1.57 0.50 0.00 0.10 0.00 0.00 66.02 64.87 1jqi s SER 108 CO 0.56 -1.16 1.69 0.28 0.98 0.00 0.00 173.24 175.59 1jqi h SER 109 N -0.24 0.07 -0.26 7.02 0.02 -1.97 -0.40 113.55 117.79 1jqi h SER 109 Ca -0.45 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1jqi h SER 109 Cb 1.27 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 1jqi h SER 109 CO 0.60 -0.02 0.09 -0.61 -1.14 0.00 0.00 176.83 175.75 1jqi h GLN 110 N 0.30 0.40 -0.77 3.45 5.75 -2.00 -2.47 115.11 119.77 1jqi h GLN 110 Ca 0.44 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1jqi h GLN 110 Cb 0.75 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 1jqi h GLN 110 CO -0.51 0.45 0.46 1.96 -2.65 0.00 0.00 178.83 178.54 1jqi h GLN 111 N 0.26 1.05 -0.80 1.69 4.20 -1.61 -1.88 115.11 118.03 1jqi h GLN 111 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1jqi h GLN 111 Cb 0.20 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1jqi h GLN 111 CO -0.01 0.74 0.46 0.87 -0.67 0.00 0.00 178.83 180.22 1jqi h LYS 112 N 1.07 1.10 -0.40 1.46 1.57 -0.92 -0.02 116.57 120.43 1jqi h LYS 112 Ca 0.28 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1jqi h LYS 112 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1jqi h LYS 112 CO -0.05 0.79 -0.25 1.96 -0.57 0.00 0.00 179.45 181.33 1jqi h GLN 113 N 1.10 0.82 0.00 3.15 4.20 -0.89 -1.74 115.11 121.75 1jqi h GLN 113 Ca 0.28 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1jqi h GLN 113 Cb -0.01 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1jqi h GLN 113 CO -0.05 0.98 -1.39 0.00 -0.67 0.00 0.00 178.83 177.70 1jqi n GLN 114 N -4.10 0.58 -0.00 1.46 10.64 -0.84 -4.03 117.38 121.09 1jqi n GLN 114 Ca -0.00 -0.02 0.06 0.00 -1.83 0.00 0.00 57.00 55.20 1jqi n GLN 114 Cb 0.46 -1.68 -0.08 0.00 -0.86 0.00 0.00 30.24 28.08 1jqi n GLN 114 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1jqi n TRP 115 N -2.42 0.00 -0.07 2.61 7.02 -0.03 -4.64 117.44 119.90 1jqi n TRP 115 Ca -0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 1jqi n TRP 115 Cb 0.54 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 29.28 1jqi n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1jqi n ILE 116 N -1.58 1.24 -0.31 -0.99 2.08 -0.66 -4.56 119.36 114.58 1jqi n ILE 116 Ca -0.00 0.21 0.16 0.00 0.56 0.00 0.00 62.75 63.68 1jqi n ILE 116 Cb 0.24 -2.21 0.34 0.00 -0.75 0.00 0.00 39.64 37.25 1jqi n ILE 116 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1jqi h THR 117 N -0.83 0.27 0.00 1.39 2.02 -1.68 0.16 112.91 114.23 1jqi h THR 117 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1jqi h THR 117 Cb 0.78 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1jqi h THR 117 CO 0.00 0.04 0.00 -2.65 0.37 0.00 0.00 175.52 173.28 1jqi n PRO 118 N -5.22 0.50 -1.90 6.66 -0.02 -1.26 -3.35 135.00 130.40 1jqi n PRO 118 Ca 0.24 0.04 -0.16 0.00 -2.02 0.00 0.00 63.50 61.61 1jqi n PRO 118 Cb 0.77 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.81 1jqi n PRO 118 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jqi n PHE 119 N -1.12 2.07 -0.01 6.00 3.72 0.54 -4.21 117.46 124.46 1jqi n PHE 119 Ca 0.13 -2.06 0.00 0.00 -0.05 0.00 0.00 57.45 55.48 1jqi n PHE 119 Cb 0.11 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1jqi n PHE 119 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jqi n THR 120 N -0.72 0.00 0.17 4.37 -2.24 -1.21 -4.76 114.28 109.89 1jqi n THR 120 Ca 0.34 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1jqi n THR 120 Cb 0.91 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 70.16 1jqi n THR 120 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jqi n ASN 121 N -0.35 1.19 0.00 3.42 6.94 -1.26 -4.59 115.26 120.61 1jqi n ASN 121 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 1jqi n ASN 121 Cb 0.00 0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1jqi n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jqi n GLY 122 N 0.35 0.16 0.10 4.83 0.00 -1.26 -3.50 105.19 105.87 1jqi n GLY 122 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1jqi n GLY 122 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jqi h ASP 123 N 0.00 0.01 -3.75 1.61 3.32 -1.92 -3.40 116.42 112.28 1jqi h ASP 123 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1jqi h ASP 123 Cb 0.00 -0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 1jqi h ASP 123 CO 0.00 0.82 -0.73 -0.54 -1.72 0.00 0.00 179.24 177.07 1jqi s LYS 124 N -3.15 0.11 0.13 3.56 1.02 -1.26 -5.06 119.74 115.08 1jqi s LYS 124 Ca -0.00 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1jqi s LYS 124 Cb 0.11 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1jqi s LYS 124 CO 0.79 0.01 -0.13 0.96 -0.92 0.00 0.00 175.35 176.07 1jqi s ILE 125 N 0.05 1.30 0.26 2.17 -4.36 -1.26 -4.46 121.20 114.89 1jqi s ILE 125 Ca -0.00 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1jqi s ILE 125 Cb -0.01 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 42.14 1jqi s ILE 125 CO -0.00 -0.48 0.23 0.61 0.24 0.00 0.00 174.94 175.54 1jqi n GLY 126 N 0.39 2.69 3.47 6.27 0.00 -1.26 -1.70 105.19 115.05 1jqi n GLY 126 Ca -0.14 -2.22 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 1jqi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqi s PHE 128 N -3.76 1.59 -0.45 0.00 2.19 -1.26 -2.38 117.98 113.91 1jqi s PHE 128 Ca 0.29 -0.74 0.04 0.00 0.33 0.00 0.00 56.93 56.84 1jqi s PHE 128 Cb 0.01 -1.23 0.12 0.00 -1.31 0.00 0.00 43.02 40.60 1jqi s PHE 128 CO 0.13 -0.45 0.17 0.00 1.83 0.00 0.00 175.22 176.90 1jqi s ALA 129 N 1.29 3.13 -0.09 11.12 0.00 -0.43 -4.70 121.76 132.09 1jqi s ALA 129 Ca -0.02 -2.97 -0.03 0.00 0.00 0.00 0.00 51.96 48.93 1jqi s ALA 129 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1jqi s ALA 129 CO -0.04 -1.89 -0.10 -0.11 0.00 0.00 0.00 175.76 173.62 1jqi n LEU 130 N 3.57 1.29 -4.76 0.00 7.94 -1.26 -2.15 117.00 121.62 1jqi n LEU 130 Ca 0.05 0.06 -0.34 0.00 -1.11 0.00 0.00 56.01 54.67 1jqi n LEU 130 Cb 0.36 -0.27 0.04 0.00 0.53 0.00 0.00 43.42 44.09 1jqi n LEU 130 CO 0.29 0.31 0.77 -0.44 -1.11 0.00 0.00 177.39 177.21 1jqi s SER 131 N -5.51 5.09 0.19 1.96 0.01 -1.26 -4.90 113.70 109.28 1jqi s SER 131 Ca -0.12 2.13 0.01 0.00 1.31 0.00 0.00 55.95 59.29 1jqi s SER 131 Cb 0.04 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1jqi s SER 131 CO 0.16 -1.65 0.04 -1.61 0.41 0.00 0.00 173.24 170.60 1jqi s GLU 132 N -3.82 1.18 0.23 12.44 2.02 0.05 -0.39 118.70 130.41 1jqi s GLU 132 Ca 0.70 -1.60 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 1jqi s GLU 132 Cb -0.24 -0.17 0.33 0.00 0.10 0.00 0.00 34.13 34.15 1jqi s GLU 132 CO 0.38 -0.21 1.79 -1.35 0.02 0.00 0.00 175.26 175.90 1jqi h PRO 133 N 2.62 0.65 0.00 0.39 0.11 -1.89 -2.38 132.00 131.50 1jqi h PRO 133 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jqi h PRO 133 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jqi h PRO 133 CO 0.61 0.43 -0.07 0.41 -0.21 0.00 0.00 178.00 179.17 1jqi n GLY 134 N -1.30 -1.50 3.56 -0.55 0.00 -1.26 -4.87 105.19 99.27 1jqi n GLY 134 Ca 0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1jqi n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqi s ASN 135 N -3.24 -0.75 0.20 1.61 4.22 -0.90 -5.02 114.94 111.06 1jqi s ASN 135 Ca 0.13 1.34 0.00 0.00 -2.14 0.00 0.00 52.86 52.19 1jqi s ASN 135 Cb 0.18 1.30 0.00 0.00 1.28 0.00 0.00 41.25 44.01 1jqi s ASN 135 CO 0.56 -0.23 0.00 0.61 -2.04 0.00 0.00 177.10 176.00 1jqi n GLY 136 N 3.36 -0.19 0.16 0.45 0.00 -1.26 -0.77 105.19 106.93 1jqi n GLY 136 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1jqi n GLY 136 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jqi h SER 137 N 0.00 0.46 -0.25 1.61 0.02 -1.96 -3.27 113.55 110.16 1jqi h SER 137 Ca 0.00 -0.35 -0.66 0.00 -0.84 0.00 0.00 61.79 59.95 1jqi h SER 137 Cb 0.02 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1jqi h SER 137 CO 0.00 0.70 2.55 -0.67 -1.14 0.00 0.00 176.83 178.27 1jqi n ASP 138 N -4.59 3.76 -0.18 3.07 -0.08 -1.26 -4.76 116.55 112.53 1jqi n ASP 138 Ca -0.04 -2.81 -0.04 0.00 -1.51 0.00 0.00 54.79 50.39 1jqi n ASP 138 Cb 0.28 -1.57 0.06 0.00 2.34 0.00 0.00 41.12 42.22 1jqi n ASP 138 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqi h ALA 139 N 7.12 0.68 0.00 -1.67 0.00 -1.90 -2.84 119.26 120.64 1jqi h ALA 139 Ca 0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1jqi h ALA 139 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jqi h ALA 139 CO 1.74 -0.06 0.00 0.78 0.00 0.00 0.00 179.25 181.71 1jqi h GLY 140 N 0.53 0.00 -2.67 0.00 0.00 -1.93 -3.20 103.07 95.81 1jqi h GLY 140 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1jqi h GLY 140 CO -0.16 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.40 1jqi n ALA 141 N -1.83 3.51 -1.69 3.60 0.00 -1.07 -4.06 120.51 118.97 1jqi n ALA 141 Ca -0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 53.44 52.91 1jqi n ALA 141 Cb 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 1jqi n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqi n ALA 142 N 1.08 1.82 -0.04 0.00 0.00 -1.21 -4.87 120.51 117.29 1jqi n ALA 142 Ca 0.01 0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.84 1jqi n ALA 142 Cb 0.51 -2.50 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 1jqi n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jqi n SER 143 N 4.99 0.46 -4.72 0.00 2.88 -1.26 -4.65 113.62 111.31 1jqi n SER 143 Ca 0.18 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.30 1jqi n SER 143 Cb 0.33 1.55 -0.03 0.00 -0.75 0.00 0.00 64.21 65.31 1jqi n SER 143 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1jqi s THR 144 N -3.03 2.57 0.27 2.46 2.01 -1.26 -4.86 115.64 113.80 1jqi s THR 144 Ca -0.08 0.41 0.09 0.00 0.31 0.00 0.00 61.69 62.43 1jqi s THR 144 Cb 0.10 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1jqi s THR 144 CO 0.80 0.04 0.02 0.42 -0.69 0.00 0.00 174.62 175.21 1jqi s THR 145 N 1.04 3.57 -0.14 -0.82 -4.23 0.42 0.15 115.64 115.63 1jqi s THR 145 Ca 0.70 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1jqi s THR 145 Cb -0.44 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.53 1jqi s THR 145 CO 0.32 -0.37 0.03 0.00 -0.54 0.00 0.00 174.62 174.07 1jqi s ALA 146 N -2.30 0.77 -0.09 3.99 0.00 -0.37 -1.32 121.76 122.44 1jqi s ALA 146 Ca 0.32 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 1jqi s ALA 146 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1jqi s ALA 146 CO 0.21 -0.89 0.13 1.03 0.00 0.00 0.00 175.76 176.24 1jqi s ARG 147 N 1.96 3.37 -0.05 0.00 0.52 -0.32 -4.50 118.95 119.92 1jqi s ARG 147 Ca 0.02 -0.22 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 1jqi s ARG 147 Cb -0.15 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1jqi s ARG 147 CO -0.07 0.74 0.49 -1.83 0.02 0.00 0.00 175.30 174.65 1jqi s GLU 148 N -1.25 4.22 -0.48 3.54 -1.05 -1.26 0.28 118.70 122.70 1jqi s GLU 148 Ca 0.18 0.51 0.07 0.00 -0.15 0.00 0.00 54.97 55.59 1jqi s GLU 148 Cb -0.12 -3.35 0.38 0.00 -0.44 0.00 0.00 34.13 30.60 1jqi s GLU 148 CO 0.08 0.37 0.96 0.39 0.95 0.00 0.00 175.26 178.01 1jqi n GLU 149 N 2.88 2.73 0.00 -4.83 1.02 0.13 -4.96 120.64 117.60 1jqi n GLU 149 Ca -0.09 -4.36 0.00 0.00 -0.02 0.00 0.00 57.16 52.69 1jqi n GLU 149 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1jqi n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqi n GLY 150 N -0.22 1.96 1.55 0.62 0.00 -1.26 -3.84 105.19 104.00 1jqi n GLY 150 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1jqi n GLY 150 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jqi n ASP 151 N 5.62 3.73 -3.56 1.61 3.85 -1.26 -4.91 116.55 121.62 1jqi n ASP 151 Ca 0.00 -3.42 -0.08 0.00 -0.71 0.00 0.00 54.79 50.58 1jqi n ASP 151 Cb 0.00 -0.69 -0.02 0.00 -1.35 0.00 0.00 41.12 39.07 1jqi n ASP 151 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1jqi s SER 152 N -1.74 -0.38 0.11 -1.12 1.04 -1.25 -1.87 113.70 108.49 1jqi s SER 152 Ca 0.50 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.86 1jqi s SER 152 Cb 0.42 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 1jqi s SER 152 CO 0.08 -0.86 -0.10 0.26 0.98 0.00 0.00 173.24 173.60 1jqi s TRP 153 N -3.43 2.72 -0.22 5.02 0.52 0.37 0.19 118.94 124.11 1jqi s TRP 153 Ca 0.06 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.03 1jqi s TRP 153 Cb -0.02 -1.41 0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1jqi s TRP 153 CO -0.07 0.44 -0.13 0.08 0.02 0.00 0.00 176.95 177.29 1jqi s VAL 154 N -1.27 2.02 -0.08 4.03 1.01 0.14 -1.39 120.40 124.86 1jqi s VAL 154 Ca 0.22 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1jqi s VAL 154 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1jqi s VAL 154 CO 0.14 0.18 0.29 -0.76 0.00 0.00 0.00 175.10 174.94 1jqi s LEU 155 N 1.22 4.39 -0.06 3.92 1.02 0.71 -1.18 118.68 128.71 1jqi s LEU 155 Ca -0.03 0.68 -0.03 0.00 0.02 0.00 0.00 54.13 54.77 1jqi s LEU 155 Cb -0.17 -2.35 0.03 0.00 0.02 0.00 0.00 46.19 43.72 1jqi s LEU 155 CO -0.08 0.30 0.13 0.20 0.02 0.00 0.00 176.35 176.91 1jqi s ASN 156 N -0.67 -0.09 0.00 2.29 0.01 -0.43 -1.42 114.94 114.62 1jqi s ASN 156 Ca 0.19 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.59 1jqi s ASN 156 Cb -0.14 0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.68 1jqi s ASN 156 CO 0.08 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1jqi n GLY 157 N 3.97 1.69 3.29 0.66 0.00 -0.55 -0.43 105.19 113.83 1jqi n GLY 157 Ca -0.24 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1jqi n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jqi s THR 158 N -1.32 2.32 -0.04 2.61 2.01 -1.26 -0.59 115.64 119.38 1jqi s THR 158 Ca 0.00 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.04 1jqi s THR 158 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1jqi s THR 158 CO 0.00 0.56 0.02 -0.75 -0.69 0.00 0.00 174.62 173.76 1jqi s LYS 159 N 0.00 2.94 0.22 4.92 2.47 -0.09 -4.46 119.74 125.74 1jqi s LYS 159 Ca -0.08 -0.49 0.11 0.00 -1.56 0.00 0.00 55.97 53.96 1jqi s LYS 159 Cb -0.15 -2.77 -0.05 0.00 -1.46 0.00 0.00 37.83 33.40 1jqi s LYS 159 CO 0.05 0.66 -0.23 0.00 0.16 0.00 0.00 175.35 176.00 1jqi s ALA 160 N -1.03 2.58 -1.33 3.13 0.00 0.48 -0.97 121.76 124.61 1jqi s ALA 160 Ca 0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 1jqi s ALA 160 Cb -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1jqi s ALA 160 CO 0.08 0.38 0.92 0.91 0.00 0.00 0.00 175.76 178.06 1jqi n TRP 161 N 0.03 -2.24 -2.84 0.00 7.02 -1.24 -4.46 117.44 113.70 1jqi n TRP 161 Ca -0.11 0.91 -0.42 0.00 -1.02 0.00 0.00 57.50 56.86 1jqi n TRP 161 Cb 0.57 -4.62 -0.04 0.00 -2.42 0.00 0.00 31.31 24.80 1jqi n TRP 161 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1jqi s ILE 162 N -3.45 4.64 0.20 -0.99 -1.09 0.12 -4.73 121.20 115.90 1jqi s ILE 162 Ca 0.24 1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 59.53 1jqi s ILE 162 Cb -0.11 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1jqi s ILE 162 CO 0.78 -0.47 1.13 -0.89 -1.23 0.00 0.00 174.94 174.26 1jqi s THR 163 N 3.33 3.69 0.00 2.92 2.01 -1.26 -2.57 115.64 123.77 1jqi s THR 163 Ca 0.36 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.86 1jqi s THR 163 Cb -0.13 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1jqi s THR 163 CO 0.17 0.28 0.00 0.59 -0.69 0.00 0.00 174.62 174.97 1jqi n ASN 164 N 2.14 0.00 -0.34 3.53 3.02 -0.68 -4.55 115.26 118.38 1jqi n ASN 164 Ca 0.02 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.77 1jqi n ASN 164 Cb 0.45 -0.27 0.44 0.00 -0.61 0.00 0.00 39.78 39.80 1jqi n ASN 164 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1jqi h SER 165 N 0.00 0.58 0.11 6.41 4.64 -1.71 0.21 113.55 123.79 1jqi h SER 165 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1jqi h SER 165 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jqi h SER 165 CO 0.00 0.10 -0.03 0.79 -0.87 0.00 0.00 176.83 176.82 1jqi n TRP 166 N -4.77 0.00 -0.10 4.77 7.02 -1.26 -3.93 117.44 119.17 1jqi n TRP 166 Ca 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 1jqi n TRP 166 Cb 0.81 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 1jqi n TRP 166 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1jqi n GLU 167 N -0.71 2.89 -2.30 -0.99 4.71 0.08 -5.09 120.64 119.24 1jqi n GLU 167 Ca 0.20 -0.06 -0.32 0.00 -0.01 0.00 0.00 57.16 56.97 1jqi n GLU 167 Cb 0.22 -0.38 -0.02 0.00 -1.01 0.00 0.00 31.44 30.25 1jqi n GLU 167 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jqi s ALA 168 N -0.43 2.94 -1.09 0.62 0.00 0.52 -4.60 121.76 119.73 1jqi s ALA 168 Ca 0.00 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1jqi s ALA 168 Cb 0.00 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 20.12 1jqi s ALA 168 CO 0.00 -0.43 0.99 0.43 0.00 0.00 0.00 175.76 176.76 1jqi n SER 169 N -1.67 2.27 -3.55 0.00 7.64 -0.69 -4.75 113.62 112.87 1jqi n SER 169 Ca 0.07 -1.67 -0.08 0.00 1.01 0.00 0.00 58.87 58.21 1jqi n SER 169 Cb 0.54 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1jqi n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqi s ALA 170 N -0.91 -1.91 -0.00 -0.43 0.00 -1.26 -1.39 121.76 115.86 1jqi s ALA 170 Ca 0.16 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 1jqi s ALA 170 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1jqi s ALA 170 CO 0.13 -0.56 0.22 -0.08 0.00 0.00 0.00 175.76 175.47 1jqi s THR 171 N -2.41 0.07 -0.41 0.00 -1.32 -0.02 -2.33 115.64 109.24 1jqi s THR 171 Ca 0.04 -0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 59.79 1jqi s THR 171 Cb -0.01 -0.55 0.05 0.00 -1.51 0.00 0.00 72.50 70.48 1jqi s THR 171 CO -0.05 -0.34 0.26 -0.69 -2.21 0.00 0.00 174.62 171.59 1jqi s VAL 172 N -1.46 4.66 -0.00 5.08 1.01 -1.00 -1.17 120.40 127.51 1jqi s VAL 172 Ca -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1jqi s VAL 172 Cb -0.06 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1jqi s VAL 172 CO 0.02 -0.38 -0.01 0.54 0.00 0.00 0.00 175.10 175.27 1jqi s VAL 173 N 1.55 4.07 -0.21 2.92 0.11 -0.12 -1.31 120.40 127.41 1jqi s VAL 173 Ca 0.03 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.40 1jqi s VAL 173 Cb -0.21 -2.81 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1jqi s VAL 173 CO 0.06 0.38 0.01 -0.36 -3.33 0.00 0.00 175.10 171.86 1jqi s PHE 174 N -1.07 3.03 0.09 1.54 0.08 -0.92 -0.53 117.98 120.22 1jqi s PHE 174 Ca 0.19 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1jqi s PHE 174 Cb -0.11 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1jqi s PHE 174 CO 0.10 -0.31 -0.08 0.00 -0.10 0.00 0.00 175.22 174.83 1jqi s ALA 175 N 1.19 0.97 -0.10 5.36 0.00 -0.48 -4.82 121.76 123.88 1jqi s ALA 175 Ca 0.03 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1jqi s ALA 175 Cb -0.14 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1jqi s ALA 175 CO 0.01 -0.15 0.99 0.45 0.00 0.00 0.00 175.76 177.06 1jqi s SER 176 N -2.71 7.24 0.00 0.00 0.15 0.12 -0.68 113.70 117.81 1jqi s SER 176 Ca 0.08 1.52 0.08 0.00 0.70 0.00 0.00 55.95 58.32 1jqi s SER 176 Cb 0.01 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1jqi s SER 176 CO -0.03 -0.43 0.38 0.35 1.20 0.00 0.00 173.24 174.72 1jqi n THR 177 N 4.51 0.00 -3.24 6.45 -2.24 -0.19 -1.24 114.28 118.33 1jqi n THR 177 Ca 0.08 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.49 1jqi n THR 177 Cb 0.49 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 1jqi n THR 177 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jqi s ASP 178 N -1.58 -0.81 0.51 3.42 2.15 -0.96 -4.98 116.67 114.43 1jqi s ASP 178 Ca 0.04 -0.72 0.25 0.00 0.43 0.00 0.00 52.55 52.54 1jqi s ASP 178 Cb 0.06 1.61 1.40 0.00 -0.30 0.00 0.00 42.92 45.68 1jqi s ASP 178 CO 0.28 -0.23 2.08 0.08 -0.17 0.00 0.00 175.17 177.21 1jqi h ARG 179 N 7.32 0.00 0.00 4.34 0.11 -1.89 -2.78 114.38 121.47 1jqi h ARG 179 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1jqi h ARG 179 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1jqi h ARG 179 CO 0.15 0.12 0.00 -1.13 0.10 0.00 0.00 179.97 179.21 1jqi n SER 180 N -3.82 0.06 -0.52 0.08 3.41 -1.26 -2.21 113.62 109.37 1jqi n SER 180 Ca -0.02 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.16 1jqi n SER 180 Cb 0.22 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 63.73 1jqi n SER 180 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jqi n ARG 181 N -1.56 1.43 0.00 4.33 5.12 -1.05 -5.06 116.66 119.86 1jqi n ARG 181 Ca 0.04 -1.50 0.00 0.00 -1.93 0.00 0.00 57.85 54.46 1jqi n ARG 181 Cb 0.20 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1jqi n ARG 181 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1jqi n GLN 182 N 0.58 0.00 0.00 5.56 6.02 -0.94 -0.73 117.38 127.88 1jqi n GLN 182 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.10 1jqi n GLN 182 Cb 0.33 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.77 1jqi n GLN 182 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1jqi n ASN 183 N 4.28 0.00 -0.40 1.08 6.94 -1.26 0.06 115.26 125.96 1jqi n ASN 183 Ca 0.00 -0.26 0.05 0.00 -0.02 0.00 0.00 54.58 54.34 1jqi n ASN 183 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1jqi n ASN 183 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1jqi n LYS 184 N -0.92 0.89 -1.79 -3.83 4.81 0.09 -4.52 118.16 112.89 1jqi n LYS 184 Ca 0.04 -1.26 -0.23 0.00 -0.87 0.00 0.00 58.31 55.99 1jqi n LYS 184 Cb 0.02 -1.19 0.05 0.00 0.02 0.00 0.00 35.03 33.93 1jqi n LYS 184 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jqi n GLY 185 N 0.47 6.20 3.45 3.14 0.00 0.11 -4.59 105.19 113.97 1jqi n GLY 185 Ca 0.06 -2.48 -0.31 0.00 0.00 0.00 0.00 46.02 43.29 1jqi n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jqi s ILE 186 N -4.51 2.78 0.09 -0.61 1.01 -1.26 -1.02 121.20 117.68 1jqi s ILE 186 Ca 0.52 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1jqi s ILE 186 Cb 0.42 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1jqi s ILE 186 CO 0.02 0.44 -0.13 -0.44 0.00 0.00 0.00 174.94 174.84 1jqi s SER 187 N -1.12 1.64 -0.05 3.58 0.01 0.14 0.94 113.70 118.84 1jqi s SER 187 Ca 0.13 -0.71 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 1jqi s SER 187 Cb -0.10 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 1jqi s SER 187 CO 0.03 -0.15 0.24 0.00 0.41 0.00 0.00 173.24 173.77 1jqi s ALA 188 N -1.78 3.84 0.02 1.44 0.00 -1.26 -1.38 121.76 122.63 1jqi s ALA 188 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1jqi s ALA 188 Cb -0.07 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1jqi s ALA 188 CO 0.02 0.60 -0.08 -0.06 0.00 0.00 0.00 175.76 176.25 1jqi s PHE 189 N -1.13 0.67 -0.25 0.00 0.40 0.31 -1.05 117.98 116.93 1jqi s PHE 189 Ca 0.21 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 1jqi s PHE 189 Cb -0.13 -0.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1jqi s PHE 189 CO 0.10 -0.03 0.31 -0.51 0.70 0.00 0.00 175.22 175.79 1jqi s LEU 190 N -0.89 4.08 -0.09 -0.37 1.43 0.17 -0.94 118.68 122.07 1jqi s LEU 190 Ca -0.03 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1jqi s LEU 190 Cb -0.06 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1jqi s LEU 190 CO 0.00 -0.09 -0.17 -0.69 0.23 0.00 0.00 176.35 175.63 1jqi s VAL 191 N 1.66 1.51 0.54 -1.59 1.01 -0.32 -4.81 120.40 118.41 1jqi s VAL 191 Ca 0.13 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1jqi s VAL 191 Cb -0.15 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1jqi s VAL 191 CO 0.09 0.44 1.01 -2.16 0.00 0.00 0.00 175.10 174.48 1jqi s PRO 192 N 0.64 3.73 -0.06 2.72 0.04 -1.26 -0.84 135.00 139.98 1jqi s PRO 192 Ca -0.14 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 1jqi s PRO 192 Cb -0.16 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1jqi s PRO 192 CO 0.04 -0.46 -0.02 -1.64 0.04 0.00 0.00 177.00 174.97 1jqi s MET 193 N -4.08 0.66 0.94 4.56 -1.94 -0.48 -3.97 119.30 114.99 1jqi s MET 193 Ca 0.60 0.02 -0.14 0.00 -1.71 0.00 0.00 55.69 54.47 1jqi s MET 193 Cb -0.12 -0.87 0.16 0.00 2.01 0.00 0.00 34.83 36.01 1jqi s MET 193 CO 0.33 -0.20 1.19 -2.14 -0.01 0.00 0.00 175.02 174.20 1jqi s PRO 194 N 1.47 0.92 -0.19 2.03 0.02 -1.26 -4.34 135.00 133.64 1jqi s PRO 194 Ca -0.03 0.02 -0.28 0.00 0.02 0.00 0.00 61.00 60.73 1jqi s PRO 194 Cb -0.13 -1.84 0.11 0.00 0.02 0.00 0.00 34.50 32.66 1jqi s PRO 194 CO -0.03 -2.30 0.94 -0.08 -0.33 0.00 0.00 177.00 175.20 1jqi s THR 195 N -3.48 0.00 0.27 0.99 -1.32 -1.25 -5.10 115.64 105.75 1jqi s THR 195 Ca 0.67 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.84 1jqi s THR 195 Cb -0.10 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.76 1jqi s THR 195 CO 0.53 0.00 1.53 -2.65 -2.21 0.00 0.00 174.62 171.82 1jqi n PRO 196 N 1.36 2.47 0.00 7.08 -0.02 -1.26 -2.22 135.00 142.41 1jqi n PRO 196 Ca -0.13 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1jqi n PRO 196 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1jqi n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqi n GLY 197 N 2.22 0.94 3.54 -1.23 0.00 -1.26 -4.31 105.19 105.09 1jqi n GLY 197 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1jqi n GLY 197 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jqi s LEU 198 N 0.00 3.56 0.05 0.99 0.20 -0.94 -1.52 118.68 121.01 1jqi s LEU 198 Ca 0.00 -0.07 0.08 0.00 0.69 0.00 0.00 54.13 54.83 1jqi s LEU 198 Cb 0.00 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1jqi s LEU 198 CO 0.00 0.10 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.04 1jqi s THR 199 N 0.83 1.80 -0.13 3.68 2.01 -0.27 -4.74 115.64 118.82 1jqi s THR 199 Ca 0.03 -1.27 -0.08 0.00 0.31 0.00 0.00 61.69 60.68 1jqi s THR 199 Cb -0.14 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1jqi s THR 199 CO 0.02 0.23 0.15 -0.76 -0.69 0.00 0.00 174.62 173.58 1jqi s LEU 200 N -1.24 4.36 0.96 4.42 1.43 -1.26 -0.20 118.68 127.15 1jqi s LEU 200 Ca 0.09 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 1jqi s LEU 200 Cb -0.09 -2.10 0.18 0.00 0.03 0.00 0.00 46.19 44.21 1jqi s LEU 200 CO 0.02 0.36 1.23 -0.83 0.23 0.00 0.00 176.35 177.35 1jqi s GLY 201 N -0.73 1.68 0.44 -3.19 0.00 0.16 -4.94 107.32 100.73 1jqi s GLY 201 Ca 0.14 -0.93 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 1jqi s GLY 201 CO 0.03 -0.24 1.14 1.25 0.00 0.00 0.00 173.10 175.28 1jqi s LYS 202 N -5.64 3.88 0.31 2.90 2.36 -1.26 -4.61 119.74 117.68 1jqi s LYS 202 Ca 0.69 1.72 -0.29 0.00 -2.55 0.00 0.00 55.97 55.54 1jqi s LYS 202 Cb -0.08 -2.46 -0.11 0.00 -1.05 0.00 0.00 37.83 34.13 1jqi s LYS 202 CO 0.53 -0.43 1.50 0.15 1.55 0.00 0.00 175.35 178.64 1jqi s LYS 203 N -2.61 4.18 0.30 4.03 1.02 -1.26 -4.61 119.74 120.79 1jqi s LYS 203 Ca 0.62 2.47 -0.27 0.00 0.02 0.00 0.00 55.97 58.80 1jqi s LYS 203 Cb -0.27 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 1jqi s LYS 203 CO 0.33 -0.50 0.97 -1.21 -0.92 0.00 0.00 175.35 174.02 1jqi s GLU 204 N -1.04 4.63 -0.43 1.68 0.41 0.03 -5.02 118.70 118.97 1jqi s GLU 204 Ca 0.58 1.46 -0.17 0.00 -0.41 0.00 0.00 54.97 56.42 1jqi s GLU 204 Cb -0.45 -2.97 0.03 0.00 -1.78 0.00 0.00 34.13 28.96 1jqi s GLU 204 CO 0.51 0.30 0.44 0.34 -0.49 0.00 0.00 175.26 176.37 1jqi s ASP 205 N -1.39 6.19 0.37 -0.19 -1.08 -1.26 -4.77 116.67 114.54 1jqi s ASP 205 Ca 0.47 -0.75 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1jqi s ASP 205 Cb -0.23 -2.22 -0.07 0.00 -1.46 0.00 0.00 42.92 38.94 1jqi s ASP 205 CO 0.29 -0.61 -0.01 -1.59 0.52 0.00 0.00 175.17 173.77 1jqi s LYS 206 N 2.12 1.97 0.06 4.34 -2.85 -1.26 -5.06 119.74 119.06 1jqi s LYS 206 Ca 0.11 -1.94 -0.23 0.00 -1.00 0.00 0.00 55.97 52.92 1jqi s LYS 206 Cb -0.18 -1.77 -0.15 0.00 -2.06 0.00 0.00 37.83 33.68 1jqi s LYS 206 CO 0.13 0.05 1.60 1.25 0.10 0.00 0.00 175.35 178.48 1jqi h LEU 207 N 1.83 0.07 0.00 2.77 5.85 -1.97 -3.45 115.31 120.41 1jqi h LEU 207 Ca -0.43 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1jqi h LEU 207 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jqi h LEU 207 CO 0.73 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 179.65 1jqi n GLY 208 N -0.67 4.21 3.44 3.75 0.00 -1.26 -4.80 105.19 109.85 1jqi n GLY 208 Ca -0.07 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1jqi n GLY 208 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqi n ILE 209 N 0.00 -0.40 0.29 -0.61 -5.35 -1.26 -4.75 119.36 107.29 1jqi n ILE 209 Ca 0.00 -0.20 0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1jqi n ILE 209 Cb 0.00 -0.48 0.45 0.00 -1.74 0.00 0.00 39.64 37.87 1jqi n ILE 209 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jqi n ARG 210 N -2.87 0.13 0.19 6.28 1.74 -1.26 -2.32 116.66 118.55 1jqi n ARG 210 Ca -0.11 0.48 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 1jqi n ARG 210 Cb 0.35 -1.82 0.22 0.00 -1.02 0.00 0.00 32.46 30.19 1jqi n ARG 210 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqi h ALA 211 N 2.18 0.87 -2.37 7.54 0.00 -1.84 -3.40 119.26 122.25 1jqi h ALA 211 Ca 0.00 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 1jqi h ALA 211 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1jqi h ALA 211 CO 0.00 0.34 0.03 -1.54 0.00 0.00 0.00 179.25 178.08 1jqi s SER 212 N -6.28 6.71 0.12 0.00 1.04 -0.98 -3.69 113.70 110.63 1jqi s SER 212 Ca 0.04 1.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.50 1jqi s SER 212 Cb 0.08 -2.32 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 1jqi s SER 212 CO 0.69 -0.18 0.50 -0.94 0.98 0.00 0.00 173.24 174.28 1jqi s SER 213 N -2.35 6.75 -0.08 7.02 1.04 -1.26 -4.96 113.70 119.86 1jqi s SER 213 Ca 0.52 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 1jqi s SER 213 Cb -0.10 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.81 1jqi s SER 213 CO 0.19 0.12 0.06 -0.89 0.98 0.00 0.00 173.24 173.71 1jqi s THR 214 N -1.45 -0.03 0.25 2.02 2.01 -1.26 -1.69 115.64 115.50 1jqi s THR 214 Ca 0.36 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 1jqi s THR 214 Cb -0.14 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1jqi s THR 214 CO 0.19 0.06 0.58 0.00 -0.69 0.00 0.00 174.62 174.76 1jqi s ALA 215 N 2.13 -0.72 0.58 7.40 0.00 -1.06 -0.79 121.76 129.30 1jqi s ALA 215 Ca 0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1jqi s ALA 215 Cb -0.13 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1jqi s ALA 215 CO -0.05 -0.92 0.92 -0.80 0.00 0.00 0.00 175.76 174.90 1jqi s ASN 216 N -2.96 5.89 -0.21 0.00 0.01 -1.26 0.16 114.94 116.57 1jqi s ASN 216 Ca 0.16 0.96 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 1jqi s ASN 216 Cb -0.03 -2.04 0.04 0.00 0.41 0.00 0.00 41.25 39.63 1jqi s ASN 216 CO 0.07 -0.92 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.86 1jqi s LEU 217 N -5.00 2.51 -0.29 0.60 1.43 -0.14 -0.67 118.68 117.11 1jqi s LEU 217 Ca 0.53 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1jqi s LEU 217 Cb -0.11 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1jqi s LEU 217 CO 0.48 -0.13 0.23 -0.63 0.23 0.00 0.00 176.35 176.53 1jqi s ILE 218 N 1.31 5.28 -0.24 -0.59 1.09 0.72 -0.91 121.20 127.87 1jqi s ILE 218 Ca -0.02 0.13 -0.08 0.00 -1.10 0.00 0.00 60.65 59.59 1jqi s ILE 218 Cb -0.16 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1jqi s ILE 218 CO -0.08 0.17 0.08 -0.36 -0.10 0.00 0.00 174.94 174.64 1jqi s PHE 219 N 1.81 3.14 -0.31 3.97 0.08 0.25 -1.11 117.98 125.80 1jqi s PHE 219 Ca 0.08 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.91 1jqi s PHE 219 Cb -0.16 -2.22 0.10 0.00 -0.57 0.00 0.00 43.02 40.17 1jqi s PHE 219 CO 0.11 -0.20 0.08 -1.83 -0.10 0.00 0.00 175.22 173.28 1jqi s GLU 220 N 1.32 0.87 -1.53 0.44 -1.05 -0.58 -1.48 118.70 116.69 1jqi s GLU 220 Ca 0.05 -1.19 -0.10 0.00 -0.15 0.00 0.00 54.97 53.59 1jqi s GLU 220 Cb -0.15 -2.22 0.08 0.00 -0.44 0.00 0.00 34.13 31.40 1jqi s GLU 220 CO 0.04 -0.96 0.73 -0.25 0.95 0.00 0.00 175.26 175.78 1jqi n ASP 221 N 4.75 -2.68 -4.64 0.83 9.92 -0.98 -4.59 116.55 119.16 1jqi n ASP 221 Ca -0.02 -0.92 -0.43 0.00 -0.53 0.00 0.00 54.79 52.89 1jqi n ASP 221 Cb 0.42 -3.32 -0.02 0.00 -0.64 0.00 0.00 41.12 37.57 1jqi n ASP 221 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jqi s ARG 223 N 3.69 3.59 0.05 0.00 0.52 -1.26 -0.21 118.95 125.33 1jqi s ARG 223 Ca 0.47 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1jqi s ARG 223 Cb -0.13 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1jqi s ARG 223 CO 0.16 0.72 -0.06 0.96 0.02 0.00 0.00 175.30 177.10 1jqi s ILE 224 N -0.89 0.42 0.64 1.52 -4.36 -0.48 -4.95 121.20 113.11 1jqi s ILE 224 Ca 0.16 -1.38 -0.18 0.00 -0.26 0.00 0.00 60.65 58.99 1jqi s ILE 224 Cb -0.13 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 1jqi s ILE 224 CO 0.05 -0.64 1.26 -2.16 0.24 0.00 0.00 174.94 173.69 1jqi s PRO 225 N -2.51 2.62 0.53 0.37 0.04 -1.26 -0.48 135.00 134.32 1jqi s PRO 225 Ca -0.03 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.18 1jqi s PRO 225 Cb -0.03 -1.87 1.37 0.00 0.04 0.00 0.00 34.50 34.01 1jqi s PRO 225 CO -0.03 -1.51 2.05 -0.22 0.04 0.00 0.00 177.00 177.33 1jqi h LYS 226 N 0.53 0.00 0.00 4.56 3.64 -1.66 -1.45 116.57 122.19 1jqi h LYS 226 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1jqi h LYS 226 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1jqi h LYS 226 CO 0.53 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.86 1jqi n GLU 227 N -4.39 0.26 0.00 1.90 0.00 -1.26 -3.03 120.64 114.11 1jqi n GLU 227 Ca 0.05 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.43 1jqi n GLU 227 Cb 0.43 -1.50 0.70 0.00 0.00 0.00 0.00 31.44 31.07 1jqi n GLU 227 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jqi n ASN 228 N -1.31 0.00 -4.71 -1.84 4.13 -0.55 -4.77 115.26 106.21 1jqi n ASN 228 Ca 0.09 -0.43 -0.42 0.00 1.68 0.00 0.00 54.58 55.51 1jqi n ASN 228 Cb 0.18 -0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1jqi n ASN 228 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1jqi s LEU 229 N -2.30 4.37 -0.28 3.41 2.96 -1.17 -0.66 118.68 125.00 1jqi s LEU 229 Ca 0.31 2.28 -0.10 0.00 -0.22 0.00 0.00 54.13 56.40 1jqi s LEU 229 Cb 0.17 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1jqi s LEU 229 CO 0.34 -0.63 0.16 -0.22 -1.32 0.00 0.00 176.35 174.68 1jqi s LEU 230 N 1.16 3.95 0.00 -0.68 2.96 -0.22 -4.93 118.68 120.92 1jqi s LEU 230 Ca 0.64 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1jqi s LEU 230 Cb -0.36 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1jqi s LEU 230 CO 0.30 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 1jqi n GLY 231 N 5.02 -1.41 3.96 7.98 0.00 -1.26 -4.26 105.19 115.22 1jqi n GLY 231 Ca -0.14 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1jqi n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jqi s GLU 232 N 0.00 3.46 0.24 1.61 0.41 -1.26 -5.03 118.70 118.13 1jqi s GLU 232 Ca 0.00 -0.59 -0.31 0.00 -0.41 0.00 0.00 54.97 53.66 1jqi s GLU 232 Cb 0.00 -2.82 -0.12 0.00 -1.78 0.00 0.00 34.13 29.41 1jqi s GLU 232 CO 0.00 0.34 1.69 -2.14 -0.49 0.00 0.00 175.26 174.66 1jqi s PRO 233 N -4.00 4.12 0.00 0.39 0.02 -1.26 -1.68 135.00 132.59 1jqi s PRO 233 Ca 0.36 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.99 1jqi s PRO 233 Cb -0.09 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1jqi s PRO 233 CO 0.31 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 1jqi n GLY 234 N 3.36 0.95 0.38 0.52 0.00 -1.15 -4.90 105.19 104.36 1jqi n GLY 234 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1jqi n GLY 234 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqi n MET 235 N -2.00 1.43 -0.14 1.61 2.81 -0.67 -4.45 117.12 115.70 1jqi n MET 235 Ca 0.00 -0.75 -0.04 0.00 -1.81 0.00 0.00 57.70 55.10 1jqi n MET 235 Cb 0.00 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.06 1jqi n MET 235 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1jqi h GLY 236 N 4.89 0.37 0.96 3.03 0.00 0.35 -2.29 103.07 110.38 1jqi h GLY 236 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1jqi h GLY 236 CO 0.00 -0.16 0.20 -2.75 0.00 0.00 0.00 176.54 173.83 1jqi h PHE 237 N 0.03 0.69 -0.66 5.60 3.04 -1.79 -1.78 116.94 122.07 1jqi h PHE 237 Ca 0.22 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1jqi h PHE 237 Cb 0.34 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1jqi h PHE 237 CO -0.36 0.58 0.27 -0.22 -2.02 0.00 0.00 178.31 176.55 1jqi h LYS 238 N 0.60 0.97 -0.44 1.11 3.64 -1.84 -1.09 116.57 119.53 1jqi h LYS 238 Ca 0.16 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1jqi h LYS 238 Cb 0.17 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1jqi h LYS 238 CO -0.01 0.79 -0.18 0.82 -2.27 0.00 0.00 179.45 178.59 1jqi h ILE 239 N 0.95 1.27 -0.38 2.00 2.04 -1.16 -1.19 117.51 121.05 1jqi h ILE 239 Ca 0.22 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1jqi h ILE 239 Cb 0.18 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jqi h ILE 239 CO -0.02 0.45 0.04 0.00 0.00 0.00 0.00 178.15 178.63 1jqi h ALA 240 N 0.85 0.50 0.03 1.87 0.00 -1.06 -0.96 119.26 120.49 1jqi h ALA 240 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jqi h ALA 240 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jqi h ALA 240 CO 0.06 0.23 -0.01 0.52 0.00 0.00 0.00 179.25 180.04 1jqi h MET 241 N 0.47 -0.04 -0.15 0.00 2.86 -1.11 0.95 114.93 117.91 1jqi h MET 241 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1jqi h MET 241 Cb 0.39 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1jqi h MET 241 CO 0.01 0.08 -0.22 1.96 1.06 0.00 0.00 176.91 179.80 1jqi h GLN 242 N -0.15 0.26 -0.49 1.72 4.20 -1.22 -1.49 115.11 117.93 1jqi h GLN 242 Ca -0.00 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1jqi h GLN 242 Cb 0.14 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1jqi h GLN 242 CO 0.01 0.47 -0.10 1.15 -0.67 0.00 0.00 178.83 179.68 1jqi h THR 243 N 0.24 1.27 0.00 -0.54 2.02 -0.90 -2.80 112.91 112.20 1jqi h THR 243 Ca 0.04 -1.24 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 1jqi h THR 243 Cb 0.52 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1jqi h THR 243 CO 0.04 0.43 -0.31 -0.07 0.37 0.00 0.00 175.52 175.97 1jqi h LEU 244 N 0.80 0.00 -1.02 2.58 3.38 -0.19 -1.18 115.31 119.68 1jqi h LEU 244 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jqi h LEU 244 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1jqi h LEU 244 CO 0.05 0.31 0.41 0.44 0.09 0.00 0.00 178.44 179.74 1jqi h ASP 245 N 0.00 0.99 -0.09 -0.43 3.32 -1.02 0.65 116.42 119.84 1jqi h ASP 245 Ca -0.00 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1jqi h ASP 245 Cb 0.56 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jqi h ASP 245 CO 0.04 0.81 -0.36 0.24 -1.72 0.00 0.00 179.24 178.24 1jqi h MET 246 N 1.10 0.40 -0.68 3.56 2.86 -1.33 -3.30 114.93 117.54 1jqi h MET 246 Ca 0.28 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1jqi h MET 246 Cb 0.05 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1jqi h MET 246 CO -0.04 0.95 0.33 0.78 1.06 0.00 0.00 176.91 179.99 1jqi h GLY 247 N -0.06 1.04 2.00 8.32 0.00 -0.92 -2.39 103.07 111.06 1jqi h GLY 247 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1jqi h GLY 247 CO 0.08 0.47 -0.03 3.21 0.00 0.00 0.00 176.54 180.27 1jqi h ARG 248 N 0.97 0.00 -0.14 4.80 3.08 -0.95 0.21 114.38 122.35 1jqi h ARG 248 Ca 0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.14 1jqi h ARG 248 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1jqi h ARG 248 CO -0.03 0.03 -0.54 0.82 -1.07 0.00 0.00 179.97 179.18 1jqi h ILE 249 N 0.00 1.34 -0.44 2.04 2.04 -1.51 -1.62 117.51 119.36 1jqi h ILE 249 Ca -0.00 -1.81 -0.12 0.00 1.00 0.00 0.00 64.86 63.93 1jqi h ILE 249 Cb 0.05 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1jqi h ILE 249 CO 0.00 0.55 -0.20 1.23 0.00 0.00 0.00 178.15 179.73 1jqi h GLY 250 N 1.22 0.99 1.70 5.37 0.00 -0.60 -2.12 103.07 109.64 1jqi h GLY 250 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 47.33 46.33 1jqi h GLY 250 CO 0.09 0.80 -0.49 -2.22 0.00 0.00 0.00 176.54 174.72 1jqi h ILE 251 N 0.74 1.34 -0.65 2.60 1.08 -1.06 -1.58 117.51 119.98 1jqi h ILE 251 Ca 0.10 -1.73 -0.04 0.00 -0.39 0.00 0.00 64.86 62.80 1jqi h ILE 251 Cb 0.77 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 1jqi h ILE 251 CO 0.06 0.52 0.24 0.00 -0.69 0.00 0.00 178.15 178.29 1jqi h ALA 252 N 1.22 0.85 -0.73 1.87 0.00 -1.18 -1.36 119.26 119.93 1jqi h ALA 252 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1jqi h ALA 252 Cb 0.97 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1jqi h ALA 252 CO 0.08 0.48 0.30 0.77 0.00 0.00 0.00 179.25 180.88 1jqi h SER 253 N 0.92 1.00 -0.77 0.00 0.02 -1.04 -1.26 113.55 112.42 1jqi h SER 253 Ca 0.22 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1jqi h SER 253 Cb 0.23 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1jqi h SER 253 CO -0.01 0.90 0.39 -0.61 -1.14 0.00 0.00 176.83 176.36 1jqi h GLN 254 N 1.05 1.10 -0.64 3.45 4.15 -1.00 -2.43 115.11 120.79 1jqi h GLN 254 Ca 0.24 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1jqi h GLN 254 Cb 0.20 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1jqi h GLN 254 CO -0.02 0.84 0.35 0.00 -1.93 0.00 0.00 178.83 178.07 1jqi h ALA 255 N 1.20 0.82 -0.77 3.38 0.00 -0.67 -2.09 119.26 121.12 1jqi h ALA 255 Ca 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jqi h ALA 255 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1jqi h ALA 255 CO -0.04 0.34 0.51 -0.07 0.00 0.00 0.00 179.25 179.99 1jqi h LEU 256 N 0.87 0.89 -0.50 0.00 3.38 -0.92 -0.42 115.31 118.61 1jqi h LEU 256 Ca 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1jqi h LEU 256 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1jqi h LEU 256 CO -0.04 0.65 0.04 1.23 0.09 0.00 0.00 178.44 180.41 1jqi h GLY 257 N 1.05 0.93 0.97 0.83 0.00 -0.95 0.13 103.07 106.03 1jqi h GLY 257 Ca 0.28 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1jqi h GLY 257 CO -0.06 0.60 0.01 -2.22 0.00 0.00 0.00 176.54 174.87 1jqi h ILE 258 N 0.73 1.26 -0.76 2.60 2.04 -0.93 -1.84 117.51 120.61 1jqi h ILE 258 Ca 0.15 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1jqi h ILE 258 Cb 0.46 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1jqi h ILE 258 CO 0.02 0.35 0.30 0.00 0.00 0.00 0.00 178.15 178.82 1jqi h ALA 259 N 0.91 0.99 -0.48 1.87 0.00 -0.91 -1.56 119.26 120.09 1jqi h ALA 259 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1jqi h ALA 259 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jqi h ALA 259 CO 0.02 0.62 0.16 0.37 0.00 0.00 0.00 179.25 180.42 1jqi h GLN 260 N 1.11 0.73 -0.54 0.00 5.75 -0.57 -0.77 115.11 120.81 1jqi h GLN 260 Ca 0.25 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1jqi h GLN 260 Cb 0.22 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1jqi h GLN 260 CO -0.02 0.68 0.18 0.00 -2.65 0.00 0.00 178.83 177.03 1jqi h ALA 261 N 1.01 1.31 -0.30 3.38 0.00 -1.13 -0.41 119.26 123.12 1jqi h ALA 261 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1jqi h ALA 261 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jqi h ALA 261 CO -0.01 0.50 -0.03 0.77 0.00 0.00 0.00 179.25 180.49 1jqi h SER 262 N 0.78 0.55 -0.68 0.00 0.02 -0.85 -1.73 113.55 111.64 1jqi h SER 262 Ca 0.18 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1jqi h SER 262 Cb 0.21 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1jqi h SER 262 CO -0.01 0.75 0.13 0.25 -1.14 0.00 0.00 176.83 176.81 1jqi h LEU 263 N 0.34 1.06 -0.15 5.07 5.85 -0.83 -1.58 115.31 125.07 1jqi h LEU 263 Ca 0.08 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1jqi h LEU 263 Cb 0.48 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1jqi h LEU 263 CO 0.02 1.03 0.09 0.44 -0.34 0.00 0.00 178.44 179.68 1jqi h ASP 264 N 1.03 0.15 -0.44 1.25 3.45 -0.98 -1.07 116.42 119.81 1jqi h ASP 264 Ca 0.21 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 1jqi h ASP 264 Cb 0.41 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1jqi h ASP 264 CO 0.01 0.11 0.22 0.00 -1.57 0.00 0.00 179.24 178.00 1jqi h ALA 266 N 1.06 0.46 -0.03 0.00 0.00 -1.12 -1.83 119.26 117.80 1jqi h ALA 266 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jqi h ALA 266 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jqi h ALA 266 CO -0.02 0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.56 1jqi h VAL 267 N 0.43 1.13 -0.79 0.00 2.07 -1.13 -0.99 116.25 116.97 1jqi h VAL 267 Ca 0.12 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1jqi h VAL 267 Cb 0.15 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1jqi h VAL 267 CO -0.01 0.10 0.51 0.11 0.02 0.00 0.00 177.57 178.30 1jqi h LYS 268 N -0.10 1.00 -0.36 1.57 1.57 -1.40 -2.25 116.57 116.60 1jqi h LYS 268 Ca 0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1jqi h LYS 268 Cb 0.15 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1jqi h LYS 268 CO -0.00 0.66 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.48 1jqi h TYR 269 N 1.03 0.84 0.00 -1.35 3.20 -1.24 -3.07 116.97 116.38 1jqi h TYR 269 Ca 0.30 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1jqi h TYR 269 Cb -0.07 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1jqi h TYR 269 CO -0.02 0.92 -0.17 0.00 -1.64 0.00 0.00 178.16 177.25 1jqi h ALA 270 N 0.80 1.66 0.00 1.82 0.00 -0.90 0.70 119.26 123.35 1jqi h ALA 270 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jqi h ALA 270 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jqi h ALA 270 CO 0.05 0.21 -0.07 0.93 0.00 0.00 0.00 179.25 180.37 1jqi h GLU 271 N 0.00 0.00 0.00 0.00 5.08 -1.35 -0.89 114.58 117.43 1jqi h GLU 271 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1jqi h GLU 271 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1jqi h GLU 271 CO 0.02 0.00 -2.19 0.09 -1.00 0.00 0.00 179.01 175.93 1jqi n ASN 272 N -3.05 0.64 -4.70 1.42 3.02 -0.98 -4.83 115.26 106.79 1jqi n ASN 272 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 1jqi n ASN 272 Cb 0.53 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.66 1jqi n ASN 272 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jqi s ARG 273 N -2.48 4.45 0.05 3.52 6.06 0.20 -4.97 118.95 125.78 1jqi s ARG 273 Ca -0.09 1.49 0.01 0.00 -2.50 0.00 0.00 55.73 54.65 1jqi s ARG 273 Cb 0.06 -3.51 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 1jqi s ARG 273 CO 0.73 -0.27 0.11 -1.01 -2.50 0.00 0.00 175.30 172.36 1jqi s HIS 274 N 1.71 3.29 -0.25 5.12 3.76 -1.26 -1.51 115.29 126.15 1jqi s HIS 274 Ca 0.52 0.15 -0.13 0.00 -0.15 0.00 0.00 55.06 55.44 1jqi s HIS 274 Cb -0.21 -1.68 0.08 0.00 1.11 0.00 0.00 32.58 31.87 1jqi s HIS 274 CO 0.22 0.55 0.60 0.00 -0.85 0.00 0.00 174.74 175.26 1jqi s ALA 275 N -1.36 -1.64 -1.42 -1.40 0.00 -0.40 -4.91 121.76 110.63 1jqi s ALA 275 Ca 0.29 2.15 -0.07 0.00 0.00 0.00 0.00 51.96 54.33 1jqi s ALA 275 Cb -0.12 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1jqi s ALA 275 CO 0.21 -0.39 0.92 1.19 0.00 0.00 0.00 175.76 177.69 1jqi n PHE 276 N 4.40 -2.45 -1.36 0.00 3.01 -1.26 -3.11 117.46 116.68 1jqi n PHE 276 Ca -0.20 0.79 -0.04 0.00 1.01 0.00 0.00 57.45 59.01 1jqi n PHE 276 Cb 0.57 -4.75 -0.01 0.00 -0.01 0.00 0.00 39.48 35.27 1jqi n PHE 276 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jqi n GLY 277 N -1.79 0.54 3.53 1.37 0.00 -1.26 -5.03 105.19 102.55 1jqi n GLY 277 Ca -0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 1jqi n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqi s ALA 278 N -2.15 -1.89 0.80 4.61 0.00 -1.18 -5.14 121.76 116.81 1jqi s ALA 278 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1jqi s ALA 278 Cb 0.00 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.44 1jqi s ALA 278 CO 0.00 -0.66 0.95 -2.30 0.00 0.00 0.00 175.76 173.74 1jqi n PRO 279 N -0.20 0.19 0.26 0.00 -0.02 -1.26 -1.27 135.00 132.70 1jqi n PRO 279 Ca -0.06 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1jqi n PRO 279 Cb 0.61 -2.22 0.72 0.00 -0.02 0.00 0.00 33.50 32.58 1jqi n PRO 279 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqi h LEU 280 N -0.80 0.00 0.00 2.45 3.38 -0.06 -2.31 115.31 117.97 1jqi h LEU 280 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1jqi h LEU 280 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jqi h LEU 280 CO 0.44 0.11 0.00 0.35 0.09 0.00 0.00 178.44 179.43 1jqi n THR 281 N -3.80 0.30 0.38 0.22 -2.24 -1.12 -1.50 114.28 106.51 1jqi n THR 281 Ca -0.02 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1jqi n THR 281 Cb 0.21 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 1jqi n THR 281 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jqi n LYS 282 N -1.11 0.42 -2.58 -0.78 4.76 -0.87 -4.77 118.16 113.22 1jqi n LYS 282 Ca 0.07 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 1jqi n LYS 282 Cb 0.06 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.59 1jqi n LYS 282 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jqi s LEU 283 N -4.33 4.27 0.22 -0.35 1.43 -0.56 -4.94 118.68 114.42 1jqi s LEU 283 Ca 0.01 1.67 -0.08 0.00 -1.03 0.00 0.00 54.13 54.70 1jqi s LEU 283 Cb 0.13 -3.56 0.32 0.00 0.03 0.00 0.00 46.19 43.11 1jqi s LEU 283 CO 0.82 -0.50 1.75 -0.61 0.23 0.00 0.00 176.35 178.04 1jqi h GLN 284 N 7.24 0.46 -0.57 1.70 4.15 -1.89 -2.17 115.11 124.03 1jqi h GLN 284 Ca -0.33 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.14 1jqi h GLN 284 Cb 1.16 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 1jqi h GLN 284 CO 0.86 0.30 0.23 -0.97 -1.93 0.00 0.00 178.83 177.33 1jqi h ASN 285 N 0.47 0.27 -0.46 -0.69 -0.73 -1.94 -1.55 115.58 110.95 1jqi h ASN 285 Ca 0.33 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.52 1jqi h ASN 285 Cb 0.41 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 1jqi h ASN 285 CO -0.31 0.17 0.15 0.40 -0.37 0.00 0.00 177.43 177.48 1jqi h ILE 286 N 0.43 1.21 -0.02 2.57 5.03 -1.67 -2.17 117.51 122.90 1jqi h ILE 286 Ca 0.27 -0.72 -0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1jqi h ILE 286 Cb 0.29 0.65 -0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1jqi h ILE 286 CO -0.25 0.27 0.01 1.56 -0.68 0.00 0.00 178.15 179.06 1jqi h GLN 287 N 0.76 0.03 -0.96 2.37 4.20 -0.98 -1.87 115.11 118.65 1jqi h GLN 287 Ca 0.17 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.96 1jqi h GLN 287 Cb 0.24 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1jqi h GLN 287 CO -0.01 0.12 0.62 0.74 -0.67 0.00 0.00 178.83 179.63 1jqi h PHE 288 N -0.07 1.11 0.40 2.96 -1.00 -1.05 -0.35 116.94 118.94 1jqi h PHE 288 Ca 0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1jqi h PHE 288 Cb 0.10 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.30 1jqi h PHE 288 CO -0.04 0.54 -0.19 0.87 -1.61 0.00 0.00 178.31 177.87 1jqi h LYS 289 N 1.05 -0.52 -0.36 1.51 1.57 -1.13 -1.11 116.57 117.58 1jqi h LYS 289 Ca 0.43 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.32 1jqi h LYS 289 Cb 0.28 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1jqi h LYS 289 CO -0.18 -0.27 0.25 -0.07 -0.57 0.00 0.00 179.45 178.60 1jqi h LEU 290 N -0.67 0.13 -0.20 2.94 3.38 -0.93 0.12 115.31 120.08 1jqi h LEU 290 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1jqi h LEU 290 Cb 0.49 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jqi h LEU 290 CO 0.09 0.09 -0.24 0.00 0.09 0.00 0.00 178.44 178.46 1jqi h ALA 291 N 1.81 0.30 -0.34 1.53 0.00 -0.78 -1.62 119.26 120.16 1jqi h ALA 291 Ca 0.17 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1jqi h ALA 291 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jqi h ALA 291 CO -0.02 0.27 -0.20 -0.44 0.00 0.00 0.00 179.25 178.86 1jqi h ASP 292 N 0.18 0.64 -0.27 0.00 3.45 0.10 -1.74 116.42 118.78 1jqi h ASP 292 Ca 0.03 -0.21 -0.06 0.00 0.43 0.00 0.00 57.03 57.22 1jqi h ASP 292 Cb 0.81 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1jqi h ASP 292 CO 0.06 0.84 -0.05 0.24 -1.57 0.00 0.00 179.24 178.75 1jqi h MET 293 N 0.57 0.51 -0.31 3.56 2.86 -0.77 -1.94 114.93 119.41 1jqi h MET 293 Ca 0.09 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1jqi h MET 293 Cb 0.65 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1jqi h MET 293 CO 0.05 0.71 0.11 0.00 1.06 0.00 0.00 176.91 178.84 1jqi h ALA 294 N 0.78 0.41 -0.04 6.32 0.00 -1.19 -2.13 119.26 123.40 1jqi h ALA 294 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jqi h ALA 294 Cb 0.52 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jqi h ALA 294 CO 0.02 0.02 -0.16 1.25 0.00 0.00 0.00 179.25 180.39 1jqi h LEU 295 N 0.35 -0.46 -0.73 0.00 5.85 -1.28 -0.18 115.31 118.86 1jqi h LEU 295 Ca 0.10 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1jqi h LEU 295 Cb 0.21 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1jqi h LEU 295 CO -0.01 -0.21 0.39 0.00 -0.34 0.00 0.00 178.44 178.27 1jqi h ALA 296 N 0.73 1.00 -0.00 1.25 0.00 -1.24 -1.02 119.26 119.98 1jqi h ALA 296 Ca 0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jqi h ALA 296 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jqi h ALA 296 CO -0.18 0.02 -0.00 1.25 0.00 0.00 0.00 179.25 180.34 1jqi h LEU 297 N 0.67 0.00 -1.52 0.00 5.85 -0.97 -1.96 115.31 117.38 1jqi h LEU 297 Ca 0.35 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1jqi h LEU 297 Cb 0.31 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1jqi h LEU 297 CO -0.24 0.41 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.70 1jqi h GLU 298 N -0.41 0.00 -0.25 1.25 5.08 -0.90 -0.91 114.58 118.45 1jqi h GLU 298 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1jqi h GLU 298 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jqi h GLU 298 CO 0.00 0.24 -0.27 0.77 -1.00 0.00 0.00 179.01 178.76 1jqi h SER 299 N 0.00 0.67 -0.12 1.42 0.02 -1.16 -2.64 113.55 111.74 1jqi h SER 299 Ca -0.00 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1jqi h SER 299 Cb 0.44 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1jqi h SER 299 CO 0.03 1.01 -0.12 0.00 -1.14 0.00 0.00 176.83 176.62 1jqi h ALA 300 N 0.67 1.30 -0.40 3.77 0.00 -0.78 -2.46 119.26 121.36 1jqi h ALA 300 Ca 0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1jqi h ALA 300 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1jqi h ALA 300 CO 0.07 0.47 -0.26 -0.09 0.00 0.00 0.00 179.25 179.43 1jqi h ARG 301 N 0.42 0.89 -0.58 0.00 2.43 -1.13 -1.88 114.38 114.54 1jqi h ARG 301 Ca 0.08 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 1jqi h ARG 301 Cb 0.46 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1jqi h ARG 301 CO 0.03 1.07 0.25 -0.07 -1.51 0.00 0.00 179.97 179.74 1jqi h LEU 302 N 0.70 0.78 -0.53 3.80 3.38 -1.25 0.83 115.31 123.02 1jqi h LEU 302 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jqi h LEU 302 Cb 0.84 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1jqi h LEU 302 CO 0.07 0.72 0.30 -0.07 0.09 0.00 0.00 178.44 179.55 1jqi h LEU 303 N 0.79 0.65 -0.22 1.67 3.38 -1.39 -0.62 115.31 119.58 1jqi h LEU 303 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1jqi h LEU 303 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jqi h LEU 303 CO -0.02 0.54 0.11 0.74 0.09 0.00 0.00 178.44 179.89 1jqi h THR 304 N 0.71 1.14 -0.56 0.22 2.02 -0.99 -2.13 112.91 113.32 1jqi h THR 304 Ca 0.19 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1jqi h THR 304 Cb 0.02 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1jqi h THR 304 CO -0.03 0.14 0.20 -0.50 0.37 0.00 0.00 175.52 175.69 1jqi h TRP 305 N 0.23 0.83 -0.50 3.16 4.06 -0.64 -0.96 115.95 122.14 1jqi h TRP 305 Ca 0.08 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1jqi h TRP 305 Cb 0.12 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1jqi h TRP 305 CO -0.02 0.66 0.23 -0.09 -3.56 0.00 0.00 178.44 175.66 1jqi h ARG 306 N 0.80 0.72 -0.36 0.49 2.43 -0.82 -0.83 114.38 116.81 1jqi h ARG 306 Ca 0.19 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1jqi h ARG 306 Cb 0.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1jqi h ARG 306 CO -0.01 0.61 0.12 0.00 -1.51 0.00 0.00 179.97 179.18 1jqi h ALA 307 N 1.07 0.47 -0.83 2.80 0.00 -0.98 -1.15 119.26 120.64 1jqi h ALA 307 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jqi h ALA 307 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1jqi h ALA 307 CO -0.02 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.87 1jqi h ALA 308 N 0.97 1.06 -0.15 0.00 0.00 -0.98 -2.08 119.26 118.07 1jqi h ALA 308 Ca 0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1jqi h ALA 308 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jqi h ALA 308 CO -0.01 0.47 -0.52 0.52 0.00 0.00 0.00 179.25 179.71 1jqi h MET 309 N 1.13 0.43 -0.43 0.00 2.07 -0.95 -2.10 114.93 115.07 1jqi h MET 309 Ca 0.30 -0.26 -0.09 0.00 -2.07 0.00 0.00 59.70 57.59 1jqi h MET 309 Cb -0.12 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 1jqi h MET 309 CO -0.07 0.84 -0.11 -0.07 1.07 0.00 0.00 176.91 178.58 1jqi h LEU 310 N 0.33 0.77 -0.60 1.22 3.38 -0.92 -0.26 115.31 119.22 1jqi h LEU 310 Ca 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1jqi h LEU 310 Cb 1.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1jqi h LEU 310 CO 0.09 0.90 0.13 0.50 0.09 0.00 0.00 178.44 180.15 1jqi h LYS 311 N 0.71 0.98 -0.59 1.13 3.11 -1.21 -0.58 116.57 120.11 1jqi h LYS 311 Ca 0.12 -0.25 -0.08 0.00 -2.81 0.00 0.00 60.65 57.64 1jqi h LYS 311 Cb 0.59 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1jqi h LYS 311 CO 0.04 0.91 0.06 -0.44 -2.81 0.00 0.00 179.45 177.20 1jqi h ASP 312 N 0.89 0.94 -0.03 4.20 3.32 -0.95 -2.53 116.42 122.25 1jqi h ASP 312 Ca 0.19 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1jqi h ASP 312 Cb 0.38 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1jqi h ASP 312 CO 0.01 0.96 0.00 0.59 -1.72 0.00 0.00 179.24 179.08 1jqi n ASN 313 N -4.21 0.27 -3.17 6.45 5.03 -0.15 -4.90 115.26 114.57 1jqi n ASN 313 Ca 0.04 -1.56 -0.20 0.00 0.87 0.00 0.00 54.58 53.73 1jqi n ASN 313 Cb 0.30 -0.02 0.07 0.00 -1.02 0.00 0.00 39.78 39.11 1jqi n ASN 313 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jqi n LYS 314 N -0.57 -6.76 -4.31 3.52 4.76 -0.83 -5.02 118.16 108.95 1jqi n LYS 314 Ca 0.12 0.72 -0.25 0.00 -2.87 0.00 0.00 58.31 56.03 1jqi n LYS 314 Cb 0.10 -5.43 -0.09 0.00 -1.84 0.00 0.00 35.03 27.77 1jqi n LYS 314 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jqi s LYS 315 N -6.00 2.09 0.34 1.97 -0.14 -0.29 -5.04 119.74 112.66 1jqi s LYS 315 Ca 0.44 -1.38 -0.29 0.00 -1.36 0.00 0.00 55.97 53.38 1jqi s LYS 315 Cb -0.19 -2.11 -0.11 0.00 -1.68 0.00 0.00 37.83 33.73 1jqi s LYS 315 CO 0.63 0.40 1.51 -0.35 -0.76 0.00 0.00 175.35 176.78 1jqi n PRO 316 N -0.36 2.63 -0.27 -1.68 -0.04 -1.26 -4.39 135.00 129.63 1jqi n PRO 316 Ca -0.09 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1jqi n PRO 316 Cb 0.57 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1jqi n PRO 316 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1jqi n PHE 317 N 1.14 0.00 -0.04 0.54 1.16 -1.26 -4.92 117.46 114.08 1jqi n PHE 317 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 1jqi n PHE 317 Cb 0.38 0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 1jqi n PHE 317 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1jqi h THR 318 N 5.00 1.00 -0.24 1.97 2.02 -1.94 0.17 112.91 120.90 1jqi h THR 318 Ca 0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1jqi h THR 318 Cb 1.18 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1jqi h THR 318 CO 0.00 0.04 0.02 0.50 0.37 0.00 0.00 175.52 176.45 1jqi h LYS 319 N 0.22 0.40 -0.66 6.66 3.64 -1.91 -1.91 116.57 123.01 1jqi h LYS 319 Ca 0.08 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1jqi h LYS 319 Cb 0.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1jqi h LYS 319 CO -0.06 0.56 0.35 0.93 -2.27 0.00 0.00 179.45 178.96 1jqi h GLU 320 N 0.19 0.91 -0.24 1.90 3.07 -1.88 -0.59 114.58 117.94 1jqi h GLU 320 Ca 0.07 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1jqi h GLU 320 Cb 0.36 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1jqi h GLU 320 CO 0.01 0.68 -0.01 1.03 -1.40 0.00 0.00 179.01 179.32 1jqi h SER 321 N 0.92 0.43 -0.83 1.42 0.87 -0.53 -1.96 113.55 113.86 1jqi h SER 321 Ca 0.23 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1jqi h SER 321 Cb 0.04 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1jqi h SER 321 CO -0.04 0.64 0.40 0.00 -0.53 0.00 0.00 176.83 177.31 1jqi h ALA 322 N 0.80 1.14 -0.57 6.23 0.00 -0.89 -1.76 119.26 124.21 1jqi h ALA 322 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jqi h ALA 322 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jqi h ALA 322 CO 0.01 0.65 0.15 0.52 0.00 0.00 0.00 179.25 180.59 1jqi h MET 323 N 1.19 0.90 -0.20 0.00 2.07 -0.99 -1.01 114.93 116.89 1jqi h MET 323 Ca 0.29 -0.21 -0.03 0.00 -2.07 0.00 0.00 59.70 57.68 1jqi h MET 323 Cb 0.11 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1jqi h MET 323 CO -0.04 0.83 0.02 0.00 1.07 0.00 0.00 176.91 178.79 1jqi h ALA 324 N 1.03 0.27 -0.32 6.32 0.00 -1.14 -1.01 119.26 124.41 1jqi h ALA 324 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jqi h ALA 324 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jqi h ALA 324 CO -0.00 -0.05 0.18 -0.22 0.00 0.00 0.00 179.25 179.16 1jqi h LYS 325 N 0.12 0.37 0.54 0.00 3.11 -1.24 0.39 116.57 119.87 1jqi h LYS 325 Ca 0.06 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1jqi h LYS 325 Cb 0.33 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1jqi h LYS 325 CO 0.01 0.24 -0.26 1.25 -2.81 0.00 0.00 179.45 177.88 1jqi h LEU 326 N 0.38 -0.62 -0.64 5.20 5.85 -1.12 -1.53 115.31 122.83 1jqi h LEU 326 Ca 0.13 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1jqi h LEU 326 Cb 0.00 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1jqi h LEU 326 CO -0.06 -0.35 0.41 0.00 -0.34 0.00 0.00 178.44 178.10 1jqi h ALA 327 N -0.49 0.82 -0.11 1.25 0.00 -1.15 -1.62 119.26 117.95 1jqi h ALA 327 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jqi h ALA 327 Cb 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jqi h ALA 327 CO 0.12 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.59 1jqi h ALA 328 N 1.25 0.15 -0.33 0.00 0.00 -0.92 -1.48 119.26 117.93 1jqi h ALA 328 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jqi h ALA 328 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jqi h ALA 328 CO -0.08 -0.21 0.17 0.66 0.00 0.00 0.00 179.25 179.79 1jqi h SER 329 N -0.03 0.42 0.26 0.00 4.64 -1.17 -0.84 113.55 116.82 1jqi h SER 329 Ca 0.03 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1jqi h SER 329 Cb 0.27 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1jqi h SER 329 CO 0.00 0.41 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.75 1jqi h GLU 330 N 0.40 0.06 -0.24 4.77 5.08 -1.30 -2.27 114.58 121.08 1jqi h GLU 330 Ca 0.11 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1jqi h GLU 330 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1jqi h GLU 330 CO -0.02 0.34 -0.45 0.00 -1.00 0.00 0.00 179.01 177.89 1jqi h ALA 331 N 1.66 0.76 -0.47 3.43 0.00 -0.84 -2.65 119.26 121.14 1jqi h ALA 331 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1jqi h ALA 331 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1jqi h ALA 331 CO 0.04 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.20 1jqi h ALA 332 N 1.01 0.61 -0.26 0.00 0.00 -0.58 0.83 119.26 120.86 1jqi h ALA 332 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jqi h ALA 332 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jqi h ALA 332 CO 0.09 0.15 -0.06 1.15 0.00 0.00 0.00 179.25 180.58 1jqi h THR 333 N 0.62 1.28 -0.08 0.00 2.02 -1.48 0.29 112.91 115.57 1jqi h THR 333 Ca 0.16 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1jqi h THR 333 Cb 0.09 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1jqi h THR 333 CO -0.02 0.34 0.04 0.00 0.37 0.00 0.00 175.52 176.24 1jqi h ALA 334 N 0.77 0.10 -0.38 6.16 0.00 -1.34 0.45 119.26 125.02 1jqi h ALA 334 Ca 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jqi h ALA 334 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jqi h ALA 334 CO 0.03 -0.33 0.04 0.82 0.00 0.00 0.00 179.25 179.80 1jqi h ILE 335 N -0.00 1.25 -0.03 0.00 2.04 -0.85 -1.41 117.51 118.50 1jqi h ILE 335 Ca 0.03 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1jqi h ILE 335 Cb 0.13 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1jqi h ILE 335 CO -0.00 0.31 -0.32 0.77 0.00 0.00 0.00 178.15 178.90 1jqi h SER 336 N 0.48 0.06 -0.56 1.72 4.64 -0.89 -1.76 113.55 117.24 1jqi h SER 336 Ca 0.11 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1jqi h SER 336 Cb 0.40 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1jqi h SER 336 CO 0.01 0.38 -0.02 -0.74 -0.87 0.00 0.00 176.83 175.60 1jqi h HIS 337 N 0.05 1.09 0.00 4.77 -0.00 -0.46 -2.78 115.15 117.83 1jqi h HIS 337 Ca 0.00 -0.20 -0.06 0.00 -0.00 0.00 0.00 60.37 60.11 1jqi h HIS 337 Cb 0.60 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1jqi h HIS 337 CO 0.00 0.99 -0.31 1.96 -0.00 0.00 0.00 177.93 180.57 1jqi h GLN 338 N 0.88 0.00 -0.26 5.26 1.08 -0.91 -2.48 115.11 118.68 1jqi h GLN 338 Ca 0.16 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1jqi h GLN 338 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1jqi h GLN 338 CO 0.03 0.31 -0.05 0.00 -0.95 0.00 0.00 178.83 178.17 1jqi h ALA 339 N 1.69 0.36 -0.58 3.87 0.00 -1.11 0.48 119.26 123.96 1jqi h ALA 339 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1jqi h ALA 339 Cb 0.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1jqi h ALA 339 CO 0.04 0.15 0.34 0.82 0.00 0.00 0.00 179.25 180.60 1jqi h ILE 340 N 0.24 1.18 -0.13 0.00 2.04 -1.37 -1.87 117.51 117.61 1jqi h ILE 340 Ca 0.07 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1jqi h ILE 340 Cb 0.52 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1jqi h ILE 340 CO 0.02 0.19 0.04 -0.61 0.00 0.00 0.00 178.15 177.79 1jqi h GLN 341 N 0.79 0.10 -0.18 2.37 5.75 -1.17 -1.70 115.11 121.07 1jqi h GLN 341 Ca 0.21 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1jqi h GLN 341 Cb 0.00 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1jqi h GLN 341 CO -0.04 0.06 0.01 0.82 -2.65 0.00 0.00 178.83 177.04 1jqi h ILE 342 N 0.10 1.11 0.00 2.39 2.04 -0.71 -1.61 117.51 120.83 1jqi h ILE 342 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1jqi h ILE 342 Cb 0.04 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1jqi h ILE 342 CO -0.06 0.14 0.00 -0.07 0.00 0.00 0.00 178.15 178.15 1jqi h LEU 343 N 0.25 0.00 0.00 1.44 4.07 -0.80 -3.47 115.31 116.79 1jqi h LEU 343 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1jqi h LEU 343 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1jqi h LEU 343 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1jqi n GLY 344 N 1.00 2.40 0.36 0.83 0.00 -0.61 -2.71 105.19 106.47 1jqi n GLY 344 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1jqi n GLY 344 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jqi h GLY 345 N 0.00 1.65 1.98 -0.02 0.00 -1.90 0.13 103.07 104.91 1jqi h GLY 345 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1jqi h GLY 345 CO 0.00 0.10 0.01 -0.33 0.00 0.00 0.00 176.54 176.32 1jqi h MET 346 N 0.92 0.00 0.00 4.80 2.07 -1.86 -1.35 114.93 119.50 1jqi h MET 346 Ca 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.14 1jqi h MET 346 Cb 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.31 1jqi h MET 346 CO -0.29 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.10 1jqi n GLY 347 N -1.17 -1.61 0.00 8.32 0.00 0.45 -3.58 105.19 107.60 1jqi n GLY 347 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1jqi n GLY 347 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jqi n TYR 348 N -2.12 0.02 -4.05 1.61 9.36 -0.51 -3.78 117.16 117.69 1jqi n TYR 348 Ca 0.05 0.01 -0.25 0.00 3.32 0.00 0.00 57.90 61.02 1jqi n TYR 348 Cb 0.39 -0.12 -0.05 0.00 -0.63 0.00 0.00 39.34 38.93 1jqi n TYR 348 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1jqi s VAL 349 N -3.02 4.69 -1.34 2.97 -7.23 -1.23 -4.98 120.40 110.26 1jqi s VAL 349 Ca 0.08 -1.03 0.14 0.00 -1.81 0.00 0.00 61.98 59.36 1jqi s VAL 349 Cb 0.16 -3.42 0.21 0.00 0.56 0.00 0.00 36.38 33.89 1jqi s VAL 349 CO 0.81 -0.14 1.38 0.35 -0.31 0.00 0.00 175.10 177.19 1jqi n THR 350 N -0.52 0.72 0.21 5.32 -2.24 -1.26 -2.68 114.28 113.83 1jqi n THR 350 Ca -0.08 0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 1jqi n THR 350 Cb 0.55 -0.95 0.48 0.00 -2.10 0.00 0.00 70.33 68.30 1jqi n THR 350 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jqi h GLU 351 N 0.00 0.00 -6.25 -0.78 3.07 -1.95 -3.43 114.58 105.25 1jqi h GLU 351 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1jqi h GLU 351 Cb 0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.98 1jqi h GLU 351 CO 0.00 0.25 -0.61 -1.64 -1.40 0.00 0.00 179.01 175.61 1jqi s MET 352 N -4.37 2.57 0.00 2.33 -1.94 -1.09 -5.04 119.30 111.75 1jqi s MET 352 Ca -0.03 -1.14 0.28 0.00 -1.71 0.00 0.00 55.69 53.09 1jqi s MET 352 Cb 0.15 -2.40 1.13 0.00 2.01 0.00 0.00 34.83 35.72 1jqi s MET 352 CO 0.69 0.42 1.80 -0.35 -0.01 0.00 0.00 175.02 177.57 1jqi n PRO 353 N -0.60 0.76 -0.21 2.03 -0.04 -1.26 -4.34 135.00 131.35 1jqi n PRO 353 Ca -0.08 -0.31 -0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1jqi n PRO 353 Cb 0.57 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.64 1jqi n PRO 353 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jqi h ALA 354 N 3.66 0.81 -0.07 0.55 0.00 -1.89 -1.33 119.26 121.00 1jqi h ALA 354 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1jqi h ALA 354 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jqi h ALA 354 CO 0.00 -0.16 -0.35 1.05 0.00 0.00 0.00 179.25 179.80 1jqi h GLU 355 N 0.45 0.13 -0.35 0.00 -0.00 -1.75 -2.06 114.58 111.01 1jqi h GLU 355 Ca 0.31 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.36 59.47 1jqi h GLU 355 Cb 0.36 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1jqi h GLU 355 CO -0.29 0.47 -0.36 -0.09 -0.00 0.00 0.00 179.01 178.74 1jqi h ARG 356 N 0.11 0.80 -0.77 1.06 2.43 -1.62 -1.74 114.38 114.66 1jqi h ARG 356 Ca 0.01 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1jqi h ARG 356 Cb 0.67 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1jqi h ARG 356 CO 0.05 1.03 0.41 1.88 -1.51 0.00 0.00 179.97 181.82 1jqi h TYR 357 N 0.66 1.07 -0.56 2.20 0.05 -0.80 0.87 116.97 120.48 1jqi h TYR 357 Ca 0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1jqi h TYR 357 Cb 0.91 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 1jqi h TYR 357 CO 0.05 0.76 0.31 -0.92 -1.05 0.00 0.00 178.16 177.32 1jqi h TYR 358 N 1.07 0.76 -0.33 4.88 3.20 -1.15 -0.09 116.97 125.31 1jqi h TYR 358 Ca 0.27 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1jqi h TYR 358 Cb 0.06 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1jqi h TYR 358 CO 0.00 0.55 -0.31 0.00 -1.64 0.00 0.00 178.16 176.76 1jqi h ARG 359 N 0.75 0.79 -0.36 1.82 3.08 -0.90 -3.03 114.38 116.53 1jqi h ARG 359 Ca 0.20 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1jqi h ARG 359 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1jqi h ARG 359 CO -0.03 1.04 -0.30 -0.44 -1.07 0.00 0.00 179.97 179.17 1jqi h ASP 360 N 0.57 0.80 -0.59 7.04 3.32 -0.69 -3.18 116.42 123.69 1jqi h ASP 360 Ca 0.05 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1jqi h ASP 360 Cb 0.89 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1jqi h ASP 360 CO 0.08 1.04 0.27 0.00 -1.72 0.00 0.00 179.24 178.91 1jqi h ALA 361 N 1.01 1.30 -0.48 3.45 0.00 -1.02 -3.10 119.26 120.42 1jqi h ALA 361 Ca 0.08 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1jqi h ALA 361 Cb 0.83 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1jqi h ALA 361 CO 0.07 0.53 0.37 -0.09 0.00 0.00 0.00 179.25 180.12 1jqi h ARG 362 N 0.89 0.00 0.00 0.00 9.65 -1.50 -1.61 114.38 121.80 1jqi h ARG 362 Ca 0.21 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.98 1jqi h ARG 362 Cb 0.14 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1jqi h ARG 362 CO -0.02 0.00 -0.53 0.97 2.80 0.00 0.00 179.97 183.19 1jqi h ILE 363 N 0.00 1.08 0.00 1.20 6.09 -1.71 -3.17 117.51 121.00 1jqi h ILE 363 Ca 0.23 -2.02 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 1jqi h ILE 363 Cb 0.96 2.19 0.00 0.00 0.47 0.00 0.00 36.82 40.44 1jqi h ILE 363 CO -0.00 0.51 0.00 0.71 -3.07 0.00 0.00 178.15 176.30 1jqi h THR 364 N 0.00 0.00 -0.00 2.19 1.35 -1.45 0.15 112.91 115.14 1jqi h THR 364 Ca -0.01 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1jqi h THR 364 Cb 1.15 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jqi h THR 364 CO 0.07 0.00 -0.28 -0.62 -0.25 0.00 0.00 175.52 174.44 1jqi n GLU 365 N -2.82 0.24 -0.01 4.72 1.02 -1.20 -4.59 120.64 118.00 1jqi n GLU 365 Ca -0.01 -0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1jqi n GLU 365 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1jqi n GLU 365 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1jqi n ILE 366 N -1.29 0.99 -1.54 -3.67 5.41 -0.01 -2.31 119.36 116.95 1jqi n ILE 366 Ca 0.08 0.27 -0.32 0.00 1.00 0.00 0.00 62.75 63.79 1jqi n ILE 366 Cb 0.33 -1.72 0.07 0.00 -0.71 0.00 0.00 39.64 37.60 1jqi n ILE 366 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1jqi s TYR 367 N -2.02 2.62 -1.32 1.39 -0.00 -0.92 -2.01 117.35 115.09 1jqi s TYR 367 Ca -0.09 1.55 0.00 0.00 -0.00 0.00 0.00 57.07 58.53 1jqi s TYR 367 Cb 0.01 -3.11 0.00 0.00 -0.00 0.00 0.00 41.96 38.87 1jqi s TYR 367 CO 0.13 -1.71 0.00 0.39 -0.00 0.00 0.00 175.55 174.36 1jqi n GLU 368 N -2.91 -1.19 0.00 -3.49 1.02 -1.26 -4.64 120.64 108.16 1jqi n GLU 368 Ca 0.10 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1jqi n GLU 368 Cb 0.52 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 1jqi n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqi n GLY 369 N -1.02 1.55 3.67 0.62 0.00 -1.21 -4.89 105.19 103.91 1jqi n GLY 369 Ca -0.18 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1jqi n GLY 369 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jqi s THR 370 N 0.00 2.44 0.40 2.61 -4.23 -0.85 -4.66 115.64 111.35 1jqi s THR 370 Ca 0.00 0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.76 1jqi s THR 370 Cb 0.00 -2.35 0.32 0.00 1.34 0.00 0.00 72.50 71.81 1jqi s THR 370 CO 0.00 -0.19 1.94 0.28 -0.54 0.00 0.00 174.62 176.11 1jqi h SER 371 N -1.77 0.51 -0.77 3.99 0.02 -1.75 -0.52 113.55 113.26 1jqi h SER 371 Ca -0.47 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1jqi h SER 371 Cb 1.27 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1jqi h SER 371 CO 0.47 0.30 0.32 -0.33 -1.14 0.00 0.00 176.83 176.45 1jqi h GLU 372 N 0.56 1.14 -0.20 3.45 3.07 -1.90 -1.75 114.58 118.95 1jqi h GLU 372 Ca 0.34 -0.20 -0.15 0.00 -0.50 0.00 0.00 59.36 58.86 1jqi h GLU 372 Cb 0.57 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1jqi h GLU 372 CO -0.12 0.92 -0.48 0.82 -1.40 0.00 0.00 179.01 178.75 1jqi h ILE 373 N 1.10 1.32 -0.71 3.13 5.03 -1.47 -2.32 117.51 123.58 1jqi h ILE 373 Ca 0.26 -1.70 -0.06 0.00 -0.12 0.00 0.00 64.86 63.24 1jqi h ILE 373 Cb 0.20 1.69 -0.03 0.00 -3.03 0.00 0.00 36.82 35.64 1jqi h ILE 373 CO -0.02 0.53 0.20 1.56 -0.68 0.00 0.00 178.15 179.74 1jqi h GLN 374 N 0.42 1.12 -0.52 2.37 1.08 -0.98 -1.43 115.11 117.17 1jqi h GLN 374 Ca 0.02 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 1jqi h GLN 374 Cb 1.00 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 1jqi h GLN 374 CO 0.09 0.96 0.09 0.00 -0.95 0.00 0.00 178.83 179.03 1jqi h ARG 375 N 1.07 0.80 -0.42 1.46 3.08 -1.10 -0.74 114.38 118.53 1jqi h ARG 375 Ca 0.23 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1jqi h ARG 375 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1jqi h ARG 375 CO -0.00 0.75 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.55 1jqi h LEU 376 N 0.77 0.76 -0.35 3.04 3.38 -0.98 -2.00 115.31 119.92 1jqi h LEU 376 Ca 0.17 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jqi h LEU 376 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jqi h LEU 376 CO 0.00 0.90 0.23 0.58 0.09 0.00 0.00 178.44 180.25 1jqi h VAL 377 N 0.60 1.09 -0.18 1.22 2.07 -0.89 -1.55 116.25 118.61 1jqi h VAL 377 Ca 0.12 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1jqi h VAL 377 Cb 0.53 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1jqi h VAL 377 CO 0.03 0.09 0.12 0.40 0.02 0.00 0.00 177.57 178.22 1jqi h ILE 378 N 0.48 1.06 -0.92 4.57 2.04 -1.04 -2.68 117.51 121.01 1jqi h ILE 378 Ca 0.13 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jqi h ILE 378 Cb -0.05 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1jqi h ILE 378 CO -0.03 0.06 0.57 0.00 0.00 0.00 0.00 178.15 178.75 1jqi h ALA 379 N 1.05 1.17 -0.50 1.87 0.00 -1.18 0.26 119.26 121.93 1jqi h ALA 379 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jqi h ALA 379 Cb -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1jqi h ALA 379 CO -0.01 0.61 0.30 0.78 0.00 0.00 0.00 179.25 180.93 1jqi h GLY 380 N 1.27 0.71 1.58 0.00 0.00 -1.05 -0.37 103.07 105.20 1jqi h GLY 380 Ca 0.33 -0.22 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 1jqi h GLY 380 CO -0.07 0.19 -0.84 0.45 0.00 0.00 0.00 176.54 176.27 1jqi h HIS 381 N 0.59 0.56 -0.18 5.60 -0.00 -1.21 -2.17 115.15 118.34 1jqi h HIS 381 Ca 0.20 -0.28 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1jqi h HIS 381 Cb 0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1jqi h HIS 381 CO -0.07 1.07 0.10 1.25 -0.00 0.00 0.00 177.93 180.28 1jqi h LEU 382 N 0.24 0.23 -0.79 2.43 7.12 -0.71 -1.97 115.31 121.87 1jqi h LEU 382 Ca -0.05 -0.09 -0.09 0.00 0.13 0.00 0.00 57.88 57.77 1jqi h LEU 382 Cb 1.45 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.50 1jqi h LEU 382 CO 0.14 0.26 -0.07 -0.07 -0.13 0.00 0.00 178.44 178.57 1jqi h LEU 383 N 0.18 0.82 -1.24 2.25 3.38 -1.09 -2.76 115.31 116.85 1jqi h LEU 383 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1jqi h LEU 383 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1jqi h LEU 383 CO -0.01 0.93 0.51 -0.09 0.09 0.00 0.00 178.44 179.87 1jqi h ARG 384 N 0.76 1.00 0.00 1.13 2.43 -1.14 -0.71 114.38 117.85 1jqi h ARG 384 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1jqi h ARG 384 Cb 0.56 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1jqi h ARG 384 CO 0.03 0.66 -0.10 0.66 -1.51 0.00 0.00 179.97 179.72 1jqi h SER 385 N 1.03 0.00 1.02 -3.80 4.64 -1.07 -2.80 113.55 112.57 1jqi h SER 385 Ca 0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1jqi h SER 385 Cb -0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1jqi h SER 385 CO -0.07 0.10 -1.02 1.88 -0.87 0.00 0.00 176.83 176.85 1jqi h TYR 386 N 0.00 0.00 0.00 4.77 0.05 -1.04 -3.52 116.97 117.23 1jqi h TYR 386 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jqi h TYR 386 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1jqi h TYR 386 CO 0.00 0.24 0.00 0.54 -1.05 0.00 0.00 178.16 177.89