#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqe h LYS 14 N 0.00 0.00 -0.12 1.61 1.79 -2.04 -3.07 116.57 114.74 1jqe h LYS 14 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1jqe h LYS 14 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1jqe h LYS 14 CO 0.00 0.69 -0.09 1.88 -1.08 0.00 0.00 179.45 180.85 1jqe h TYR 15 N 0.00 -0.21 -0.33 -1.35 0.99 -2.05 0.82 116.97 114.84 1jqe h TYR 15 Ca -0.01 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1jqe h TYR 15 Cb 1.43 0.11 -0.01 0.00 1.00 0.00 0.00 36.73 39.26 1jqe h TYR 15 CO 0.00 -0.14 0.02 0.28 -0.00 0.00 0.00 178.16 178.32 1jqe h VAL 16 N -0.10 1.25 -0.48 -2.88 2.07 -2.00 -1.13 116.25 112.99 1jqe h VAL 16 Ca 0.08 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1jqe h VAL 16 Cb 0.21 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1jqe h VAL 16 CO -0.18 0.30 0.02 -0.33 0.02 0.00 0.00 177.57 177.40 1jqe h GLU 17 N 0.38 0.78 -0.54 1.57 3.07 -1.40 -1.16 114.58 117.27 1jqe h GLU 17 Ca 0.10 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 1jqe h GLU 17 Cb 0.41 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1jqe h GLU 17 CO 0.01 0.77 0.12 1.03 -1.40 0.00 0.00 179.01 179.54 1jqe h SER 18 N 0.73 0.83 -0.36 1.42 0.87 0.86 -1.67 113.55 116.23 1jqe h SER 18 Ca 0.15 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 1jqe h SER 18 Cb 0.42 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1jqe h SER 18 CO 0.02 0.86 -0.10 0.15 -0.53 0.00 0.00 176.83 177.23 1jqe h PHE 19 N 0.77 0.86 -0.63 2.24 3.57 -0.86 -1.75 116.94 121.15 1jqe h PHE 19 Ca 0.17 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1jqe h PHE 19 Cb 0.36 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1jqe h PHE 19 CO 0.03 0.85 0.17 -0.09 -2.23 0.00 0.00 178.31 177.03 1jqe h ARG 20 N 0.72 0.97 -0.71 1.11 9.65 -0.92 0.32 114.38 125.51 1jqe h ARG 20 Ca 0.12 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.73 1jqe h ARG 20 Cb 0.58 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1jqe h ARG 20 CO 0.04 0.85 0.17 -0.09 2.80 0.00 0.00 179.97 183.73 1jqe h ARG 21 N 0.93 1.14 -0.13 0.20 2.43 -0.92 0.14 114.38 118.17 1jqe h ARG 21 Ca 0.20 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1jqe h ARG 21 Cb 0.31 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1jqe h ARG 21 CO -0.00 1.01 0.07 0.35 -1.51 0.00 0.00 179.97 179.88 1jqe h PHE 22 N 1.08 0.17 -0.67 2.20 3.57 -0.63 -1.73 116.94 120.93 1jqe h PHE 22 Ca 0.22 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1jqe h PHE 22 Cb 0.38 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1jqe h PHE 22 CO 0.03 0.19 0.40 -0.07 -2.23 0.00 0.00 178.31 176.64 1jqe h LEU 23 N 0.10 0.64 -2.44 0.59 3.38 -0.63 -0.78 115.31 116.17 1jqe h LEU 23 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jqe h LEU 23 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jqe h LEU 23 CO -0.01 0.43 0.00 0.78 0.09 0.00 0.00 178.44 179.73 1jqe h ASN 24 N 0.77 0.00 -0.16 -0.43 -0.26 -0.62 -2.78 115.58 112.11 1jqe h ASN 24 Ca 0.28 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.91 1jqe h ASN 24 Cb 0.09 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.25 1jqe h ASN 24 CO -0.14 0.00 -0.57 1.41 -1.06 0.00 0.00 177.43 177.07 1jqe n HIS 25 N -3.07 0.57 -3.92 1.19 8.25 -0.37 -5.03 115.22 112.85 1jqe n HIS 25 Ca -0.02 -1.64 -0.09 0.00 -0.26 0.00 0.00 57.72 55.71 1jqe n HIS 25 Cb 0.15 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 1jqe n HIS 25 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1jqe s SER 26 N -3.30 -0.06 -0.28 0.41 1.04 -0.78 0.33 113.70 111.05 1jqe s SER 26 Ca 0.41 -0.80 0.12 0.00 0.48 0.00 0.00 55.95 56.16 1jqe s SER 26 Cb 0.38 0.51 0.74 0.00 0.10 0.00 0.00 66.02 67.74 1jqe s SER 26 CO -0.05 -0.99 1.74 0.35 0.98 0.00 0.00 173.24 175.27 1jqe n THR 27 N -0.29 2.82 0.21 2.02 -2.24 -0.35 -4.70 114.28 111.75 1jqe n THR 27 Ca -0.06 -1.65 -0.17 0.00 -2.27 0.00 0.00 64.05 59.89 1jqe n THR 27 Cb 0.63 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 1jqe n THR 27 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jqe h GLU 28 N 2.88 -0.83 0.00 -0.78 4.81 -1.86 0.29 114.58 119.10 1jqe h GLU 28 Ca 0.16 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1jqe h GLU 28 Cb 2.12 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.69 1jqe h GLU 28 CO 0.61 -0.55 -0.24 0.45 -0.73 0.00 0.00 179.01 178.55 1jqe h HIS 29 N -0.86 0.00 -0.35 0.92 3.86 -1.89 -0.82 115.15 116.01 1jqe h HIS 29 Ca -0.03 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 1jqe h HIS 29 Cb 0.80 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 1jqe h HIS 29 CO -0.32 0.24 -0.24 0.37 0.86 0.00 0.00 177.93 178.83 1jqe h GLN 30 N 0.00 0.79 -0.00 2.45 4.15 -1.79 0.68 115.11 121.39 1jqe h GLN 30 Ca -0.00 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.04 1jqe h GLN 30 Cb 0.49 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1jqe h GLN 30 CO 0.03 1.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.93 1jqe h MET 32 N -0.06 1.05 -0.98 0.00 2.86 -1.07 -0.96 114.93 115.77 1jqe h MET 32 Ca 0.00 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1jqe h MET 32 Cb 0.07 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.44 1jqe h MET 32 CO -0.00 0.69 0.65 0.37 1.06 0.00 0.00 176.91 179.68 1jqe h GLN 33 N 1.08 1.26 -0.70 1.72 5.75 -0.47 0.30 115.11 124.04 1jqe h GLN 33 Ca 0.32 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1jqe h GLN 33 Cb -0.07 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.17 1jqe h GLN 33 CO -0.09 0.83 0.37 1.49 -2.65 0.00 0.00 178.83 178.78 1jqe h GLU 34 N 1.30 0.98 -0.27 1.69 4.81 0.05 0.89 114.58 124.03 1jqe h GLU 34 Ca 0.37 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1jqe h GLU 34 Cb -0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 1jqe h GLU 34 CO -0.09 0.75 0.02 0.35 -0.73 0.00 0.00 179.01 179.31 1jqe h PHE 35 N 0.96 0.49 -0.39 0.92 3.57 0.05 -0.76 116.94 121.78 1jqe h PHE 35 Ca 0.24 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1jqe h PHE 35 Cb 0.07 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1jqe h PHE 35 CO -0.00 0.59 0.12 0.52 -2.23 0.00 0.00 178.31 177.31 1jqe h MET 36 N 0.25 0.57 -0.02 1.11 2.86 -0.08 0.46 114.93 120.08 1jqe h MET 36 Ca 0.08 -0.08 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1jqe h MET 36 Cb 0.38 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 31.96 1jqe h MET 36 CO 0.01 0.50 -0.85 -0.44 1.06 0.00 0.00 176.91 177.19 1jqe h ASP 37 N 0.56 0.79 0.09 1.22 3.32 -0.67 -3.29 116.42 118.44 1jqe h ASP 37 Ca 0.13 -0.73 -0.36 0.00 0.02 0.00 0.00 57.03 56.10 1jqe h ASP 37 Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1jqe h ASP 37 CO -0.01 1.41 -2.00 0.29 -1.72 0.00 0.00 179.24 177.22 1jqe n LYS 38 N -4.00 0.71 -0.09 3.56 5.02 -0.31 -4.76 118.16 118.30 1jqe n LYS 38 Ca -0.10 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1jqe n LYS 38 Cb 0.79 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 1jqe n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jqe n LYS 39 N -3.61 1.04 -0.08 1.97 4.76 0.16 -4.71 118.16 117.69 1jqe n LYS 39 Ca -0.35 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.07 1jqe n LYS 39 Cb 0.98 -1.40 -0.00 0.00 -1.84 0.00 0.00 35.03 32.77 1jqe n LYS 39 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1jqe h LEU 40 N 0.00 -0.25 -0.75 -0.35 5.85 -1.45 -2.71 115.31 115.65 1jqe h LEU 40 Ca -0.44 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.52 1jqe h LEU 40 Cb 1.86 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 42.92 1jqe h LEU 40 CO -0.02 -0.09 -0.19 -0.65 -0.34 0.00 0.00 178.44 177.16 1jqe h PRO 41 N 0.02 -0.00 -0.67 5.25 0.11 -1.85 0.20 132.00 135.05 1jqe h PRO 41 Ca 0.15 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1jqe h PRO 41 Cb 0.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1jqe h PRO 41 CO -0.30 -0.00 0.14 0.78 -0.21 0.00 0.00 178.00 178.41 1jqe h GLY 42 N -0.00 1.18 1.10 -0.55 0.00 -1.82 -1.02 103.07 101.95 1jqe h GLY 42 Ca 0.36 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1jqe h GLY 42 CO -0.77 0.71 0.37 -2.22 0.00 0.00 0.00 176.54 174.63 1jqe h ILE 43 N 1.02 1.25 -0.67 2.60 2.04 -0.44 -2.77 117.51 120.55 1jqe h ILE 43 Ca 0.21 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1jqe h ILE 43 Cb 0.40 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1jqe h ILE 43 CO 0.01 0.31 0.00 2.30 0.00 0.00 0.00 178.15 180.77 1jqe n ILE 44 N -4.30 1.62 0.26 -0.67 -6.64 0.38 -4.59 119.36 105.42 1jqe n ILE 44 Ca 0.08 -1.15 0.17 0.00 -1.77 0.00 0.00 62.75 60.07 1jqe n ILE 44 Cb 0.15 0.23 0.90 0.00 -1.44 0.00 0.00 39.64 39.48 1jqe n ILE 44 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1jqe h GLY 45 N 4.11 0.00 0.00 3.28 0.00 -0.88 -3.12 103.07 106.46 1jqe h GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jqe h GLY 45 CO 0.17 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.25 1jqe n ARG 46 N -2.69 -0.26 0.31 4.80 1.74 -1.26 -4.78 116.66 114.51 1jqe n ARG 46 Ca -0.02 -0.31 0.19 0.00 -0.77 0.00 0.00 57.85 56.94 1jqe n ARG 46 Cb 0.10 -0.73 1.03 0.00 -1.02 0.00 0.00 32.46 31.84 1jqe n ARG 46 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1jqe h ILE 47 N 0.66 0.24 -0.02 0.55 3.07 -1.66 -2.27 117.51 118.08 1jqe h ILE 47 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1jqe h ILE 47 Cb 0.33 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 1jqe h ILE 47 CO 0.00 0.01 -0.31 0.61 -1.05 0.00 0.00 178.15 177.41 1jqe n GLY 48 N -1.03 0.20 3.66 0.16 0.00 -1.26 -4.80 105.19 102.12 1jqe n GLY 48 Ca -0.03 -0.59 -0.47 0.00 0.00 0.00 0.00 46.02 44.94 1jqe n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jqe n ASP 49 N 0.28 2.80 0.00 1.61 9.92 -0.86 -1.41 116.55 128.89 1jqe n ASP 49 Ca 0.09 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 1jqe n ASP 49 Cb 0.45 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1jqe n ASP 49 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1jqe n THR 50 N 3.07 0.00 -4.38 -3.53 -2.24 -1.26 -5.01 114.28 100.93 1jqe n THR 50 Ca 0.17 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 1jqe n THR 50 Cb 0.27 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 1jqe n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jqe s LYS 51 N -0.42 2.89 0.00 -0.78 1.02 -0.50 -4.98 119.74 116.97 1jqe s LYS 51 Ca 0.00 -0.48 0.23 0.00 0.02 0.00 0.00 55.97 55.74 1jqe s LYS 51 Cb 0.00 -2.73 0.47 0.00 -0.52 0.00 0.00 37.83 35.05 1jqe s LYS 51 CO 0.00 0.68 1.42 -1.13 -0.92 0.00 0.00 175.35 175.40 1jqe n SER 52 N 1.94 2.92 -3.69 2.83 3.41 -1.26 -4.83 113.62 114.93 1jqe n SER 52 Ca -0.17 -1.92 -0.11 0.00 -0.26 0.00 0.00 58.87 56.42 1jqe n SER 52 Cb 0.53 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1jqe n SER 52 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1jqe s GLU 53 N -1.69 0.44 -0.23 4.33 2.12 -1.26 -3.99 118.70 118.43 1jqe s GLU 53 Ca 0.35 0.80 -0.05 0.00 0.36 0.00 0.00 54.97 56.44 1jqe s GLU 53 Cb 0.21 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 1jqe s GLU 53 CO 0.30 -0.14 -0.02 0.42 -0.54 0.00 0.00 175.26 175.28 1jqe s ILE 54 N 1.24 3.56 -0.29 -3.70 1.01 -0.21 -5.00 121.20 117.81 1jqe s ILE 54 Ca -0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1jqe s ILE 54 Cb -0.07 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1jqe s ILE 54 CO -0.11 0.40 0.23 -0.54 0.00 0.00 0.00 174.94 174.91 1jqe s LYS 55 N 1.50 3.90 -0.13 2.79 1.02 -1.26 -0.35 119.74 127.21 1jqe s LYS 55 Ca 0.06 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1jqe s LYS 55 Cb -0.14 -3.68 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 1jqe s LYS 55 CO -0.02 -0.23 -0.14 0.42 -0.92 0.00 0.00 175.35 174.46 1jqe s ILE 56 N 1.81 2.92 -0.27 2.17 1.01 0.12 -0.87 121.20 128.08 1jqe s ILE 56 Ca 0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1jqe s ILE 56 Cb -0.16 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1jqe s ILE 56 CO 0.11 0.52 0.00 -0.22 0.00 0.00 0.00 174.94 175.36 1jqe s LEU 57 N 0.46 3.52 -0.36 2.97 2.96 0.47 -0.64 118.68 128.05 1jqe s LEU 57 Ca -0.10 -0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1jqe s LEU 57 Cb -0.16 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1jqe s LEU 57 CO 0.05 -0.16 0.24 -0.55 -1.32 0.00 0.00 176.35 174.61 1jqe s SER 58 N 1.40 5.98 -0.27 3.68 0.15 0.72 -1.50 113.70 123.86 1jqe s SER 58 Ca 0.01 -0.61 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 1jqe s SER 58 Cb -0.17 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1jqe s SER 58 CO -0.01 -0.30 0.19 -0.63 1.20 0.00 0.00 173.24 173.69 1jqe s ILE 59 N 1.68 5.32 -0.88 6.45 -1.09 -0.07 -0.24 121.20 132.37 1jqe s ILE 59 Ca 0.05 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1jqe s ILE 59 Cb -0.18 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1jqe s ILE 59 CO 0.10 0.27 0.52 0.61 -1.23 0.00 0.00 174.94 175.21 1jqe n GLY 60 N 4.88 0.00 0.08 6.18 0.00 0.15 -3.95 105.19 112.54 1jqe n GLY 60 Ca -0.14 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1jqe n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqe n GLY 61 N -1.30 -0.69 7.00 -0.02 0.00 -1.26 -4.75 105.19 104.17 1jqe n GLY 61 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1jqe n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqe n GLY 62 N -1.39 3.53 0.02 -0.02 0.00 -1.26 -2.03 105.19 104.05 1jqe n GLY 62 Ca -0.01 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.11 1jqe n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqe n ALA 63 N 11.41 2.59 -0.28 4.61 0.00 -1.26 -4.22 120.51 133.36 1jqe n ALA 63 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jqe n ALA 63 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1jqe n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqe n GLY 64 N 1.18 1.70 0.26 0.00 0.00 -0.86 -3.35 105.19 104.11 1jqe n GLY 64 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1jqe n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jqe h GLU 65 N 2.91 -0.29 -0.48 1.61 3.07 -1.93 -0.74 114.58 118.73 1jqe h GLU 65 Ca 0.00 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 1jqe h GLU 65 Cb 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1jqe h GLU 65 CO 0.00 -0.20 -0.14 0.82 -1.40 0.00 0.00 179.01 178.09 1jqe h ILE 66 N -0.30 1.27 -0.68 3.13 1.08 -1.93 -2.81 117.51 117.28 1jqe h ILE 66 Ca 0.09 -1.29 0.11 0.00 -0.39 0.00 0.00 64.86 63.37 1jqe h ILE 66 Cb 0.43 1.11 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 1jqe h ILE 66 CO -0.26 0.44 0.28 0.44 -0.69 0.00 0.00 178.15 178.37 1jqe h ASP 67 N 0.79 0.30 0.25 1.72 3.45 -1.77 -0.64 116.42 120.52 1jqe h ASP 67 Ca 0.12 0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 1jqe h ASP 67 Cb 0.71 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1jqe h ASP 67 CO 0.05 0.16 -0.31 -0.07 -1.57 0.00 0.00 179.24 177.50 1jqe h LEU 68 N 0.47 0.09 -0.43 1.55 3.38 -1.00 -0.14 115.31 119.24 1jqe h LEU 68 Ca 0.35 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 1jqe h LEU 68 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jqe h LEU 68 CO -0.33 0.40 -0.71 1.56 0.09 0.00 0.00 178.44 179.46 1jqe h GLN 69 N 0.08 0.41 -0.22 1.13 1.08 -1.01 -1.34 115.11 115.24 1jqe h GLN 69 Ca 0.01 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1jqe h GLN 69 Cb 0.59 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1jqe h GLN 69 CO 0.04 0.96 0.01 0.82 -0.95 0.00 0.00 178.83 179.71 1jqe h ILE 70 N 0.29 1.25 -0.83 2.54 2.04 -0.70 -2.75 117.51 119.35 1jqe h ILE 70 Ca -0.03 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1jqe h ILE 70 Cb 1.27 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1jqe h ILE 70 CO 0.12 0.26 0.49 -0.07 0.00 0.00 0.00 178.15 178.96 1jqe h LEU 71 N 0.15 1.01 -0.86 1.44 3.38 -0.94 -1.92 115.31 117.56 1jqe h LEU 71 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jqe h LEU 71 Cb 0.38 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1jqe h LEU 71 CO 0.01 0.78 0.52 0.77 0.09 0.00 0.00 178.44 180.61 1jqe h SER 72 N 1.15 1.03 -0.33 -0.43 4.64 -1.10 0.12 113.55 118.64 1jqe h SER 72 Ca 0.30 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 1jqe h SER 72 Cb -0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1jqe h SER 72 CO -0.05 0.79 -0.23 0.11 -0.87 0.00 0.00 176.83 176.58 1jqe h LYS 73 N 1.18 0.82 -0.37 4.77 1.79 -1.12 -0.91 116.57 122.73 1jqe h LYS 73 Ca 0.31 -0.34 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1jqe h LYS 73 Cb -0.05 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1jqe h LYS 73 CO -0.06 0.97 -0.27 0.28 -1.08 0.00 0.00 179.45 179.29 1jqe h VAL 74 N 0.71 1.28 -0.79 0.50 2.07 -0.90 -1.91 116.25 117.21 1jqe h VAL 74 Ca 0.10 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1jqe h VAL 74 Cb 0.76 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1jqe h VAL 74 CO 0.06 0.47 0.39 1.56 0.02 0.00 0.00 177.57 180.08 1jqe h GLN 75 N 0.64 1.12 -0.46 1.57 4.20 -0.64 -0.17 115.11 121.37 1jqe h GLN 75 Ca 0.07 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1jqe h GLN 75 Cb 0.85 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1jqe h GLN 75 CO 0.07 0.85 -0.06 0.00 -0.67 0.00 0.00 178.83 179.02 1jqe h ALA 76 N 1.32 1.03 0.00 3.87 0.00 -1.02 -2.63 119.26 121.83 1jqe h ALA 76 Ca 0.27 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1jqe h ALA 76 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jqe h ALA 76 CO -0.04 0.59 -0.84 0.37 0.00 0.00 0.00 179.25 179.34 1jqe h GLN 77 N 0.73 0.04 -2.13 0.00 5.75 -0.85 -3.37 115.11 115.29 1jqe h GLN 77 Ca 0.13 -0.05 -0.58 0.00 -0.15 0.00 0.00 58.65 58.00 1jqe h GLN 77 Cb 0.53 0.02 -0.41 0.00 1.07 0.00 0.00 27.48 28.69 1jqe h GLN 77 CO 0.03 0.85 -0.79 0.66 -2.65 0.00 0.00 178.83 176.94 1jqe n TYR 78 N -3.58 2.26 -1.72 3.99 4.02 -0.12 -5.10 117.16 116.91 1jqe n TYR 78 Ca -0.01 -3.94 -0.43 0.00 -0.01 0.00 0.00 57.90 53.51 1jqe n TYR 78 Cb 0.80 -0.48 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 1jqe n TYR 78 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1jqe n PRO 79 N 0.89 2.38 0.00 -0.72 -0.04 -1.00 -2.12 135.00 134.39 1jqe n PRO 79 Ca 0.27 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 1jqe n PRO 79 Cb 0.46 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1jqe n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jqe n GLY 80 N 1.55 2.82 3.70 0.55 0.00 -1.26 -5.01 105.19 107.54 1jqe n GLY 80 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1jqe n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqe s VAL 81 N -1.97 4.88 0.22 1.61 1.01 -0.90 -5.00 120.40 120.25 1jqe s VAL 81 Ca 0.00 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1jqe s VAL 81 Cb 0.00 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1jqe s VAL 81 CO 0.00 0.13 1.43 0.00 0.00 0.00 0.00 175.10 176.66 1jqe s ILE 83 N 0.20 2.45 -0.36 0.00 1.01 0.27 -1.05 121.20 123.73 1jqe s ILE 83 Ca 0.60 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 1jqe s ILE 83 Cb -0.41 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1jqe s ILE 83 CO 0.40 0.54 0.18 0.21 0.00 0.00 0.00 174.94 176.27 1jqe s ASN 84 N 0.48 5.61 -0.44 3.58 2.47 0.53 0.20 114.94 127.36 1jqe s ASN 84 Ca -0.13 -0.97 -0.08 0.00 0.42 0.00 0.00 52.86 52.10 1jqe s ASN 84 Cb -0.17 -1.98 0.10 0.00 -1.45 0.00 0.00 41.25 37.75 1jqe s ASN 84 CO 0.05 -0.35 0.29 0.21 -3.72 0.00 0.00 177.10 173.58 1jqe s ASN 85 N 1.53 5.62 -0.14 -4.21 2.47 0.14 0.13 114.94 120.48 1jqe s ASN 85 Ca 0.02 -1.73 -0.06 0.00 0.42 0.00 0.00 52.86 51.50 1jqe s ASN 85 Cb -0.19 -1.98 -0.04 0.00 -1.45 0.00 0.00 41.25 37.59 1jqe s ASN 85 CO 0.06 -0.60 0.08 -1.61 -3.72 0.00 0.00 177.10 171.30 1jqe s GLU 86 N 1.37 3.60 -0.10 0.43 2.02 0.18 -2.05 118.70 124.14 1jqe s GLU 86 Ca 0.05 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1jqe s GLU 86 Cb -0.24 -3.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 1jqe s GLU 86 CO 0.00 0.53 -0.18 0.08 0.02 0.00 0.00 175.26 175.71 1jqe s VAL 87 N -0.35 2.66 -0.42 2.63 1.01 0.42 -0.20 120.40 126.15 1jqe s VAL 87 Ca 0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1jqe s VAL 87 Cb -0.12 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1jqe s VAL 87 CO 0.02 0.55 0.24 -0.69 0.00 0.00 0.00 175.10 175.21 1jqe s VAL 88 N 0.17 3.89 -0.10 2.92 1.01 0.67 -0.50 120.40 128.47 1jqe s VAL 88 Ca -0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 1jqe s VAL 88 Cb -0.16 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jqe s VAL 88 CO 0.06 -0.57 0.11 -0.70 0.00 0.00 0.00 175.10 174.01 1jqe s GLU 89 N 1.33 0.01 0.38 2.72 2.56 -0.65 0.33 118.70 125.38 1jqe s GLU 89 Ca 0.04 0.32 0.27 0.00 0.00 0.00 0.00 54.97 55.61 1jqe s GLU 89 Cb -0.23 -0.78 0.94 0.00 2.00 0.00 0.00 34.13 36.05 1jqe s GLU 89 CO -0.00 -0.43 1.79 -1.00 -0.56 0.00 0.00 175.26 175.06 1jqe h PRO 90 N 8.40 0.00 -5.69 4.30 0.13 -1.68 -3.07 132.00 134.39 1jqe h PRO 90 Ca -0.13 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.39 1jqe h PRO 90 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 1jqe h PRO 90 CO 0.19 0.00 0.33 0.45 -0.23 0.00 0.00 178.00 178.74 1jqe s SER 91 N -5.15 6.65 0.24 1.44 0.15 -1.26 -4.66 113.70 111.11 1jqe s SER 91 Ca 0.05 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.33 1jqe s SER 91 Cb 0.09 -2.39 0.25 0.00 -1.71 0.00 0.00 66.02 62.26 1jqe s SER 91 CO 0.54 -0.54 1.83 0.00 1.20 0.00 0.00 173.24 176.26 1jqe h ALA 92 N 8.04 1.14 -0.67 5.45 0.00 -1.99 -1.16 119.26 130.07 1jqe h ALA 92 Ca -0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1jqe h ALA 92 Cb 1.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1jqe h ALA 92 CO 0.85 0.63 0.36 1.49 0.00 0.00 0.00 179.25 182.59 1jqe h GLU 93 N 1.12 0.93 -0.23 0.00 4.81 -1.99 0.04 114.58 119.27 1jqe h GLU 93 Ca 0.27 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1jqe h GLU 93 Cb 0.15 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1jqe h GLU 93 CO -0.03 0.71 0.04 1.96 -0.73 0.00 0.00 179.01 180.95 1jqe h GLN 94 N 0.91 0.38 -0.80 1.92 1.08 -1.75 -2.32 115.11 114.53 1jqe h GLN 94 Ca 0.23 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1jqe h GLN 94 Cb 0.05 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1jqe h GLN 94 CO -0.04 0.52 0.52 0.82 -0.95 0.00 0.00 178.83 179.70 1jqe h ILE 95 N 0.19 1.14 -0.43 2.54 2.04 -0.94 0.47 117.51 122.51 1jqe h ILE 95 Ca 0.07 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1jqe h ILE 95 Cb 0.32 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1jqe h ILE 95 CO 0.00 0.18 0.27 0.00 0.00 0.00 0.00 178.15 178.61 1jqe h ALA 96 N 1.33 0.55 -0.52 1.87 0.00 -0.85 0.89 119.26 122.52 1jqe h ALA 96 Ca 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1jqe h ALA 96 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jqe h ALA 96 CO -0.11 -0.03 0.13 0.87 0.00 0.00 0.00 179.25 180.12 1jqe h LYS 97 N 0.56 0.83 -0.20 0.00 1.57 -0.92 -0.98 116.57 117.42 1jqe h LYS 97 Ca 0.16 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1jqe h LYS 97 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1jqe h LYS 97 CO -0.05 0.79 0.04 -0.92 -0.57 0.00 0.00 179.45 178.74 1jqe h TYR 98 N 0.73 0.06 -0.58 -1.35 -0.00 -0.49 -0.59 116.97 114.76 1jqe h TYR 98 Ca 0.17 0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.87 1jqe h TYR 98 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.03 1jqe h TYR 98 CO 0.02 0.02 0.19 0.87 -0.00 0.00 0.00 178.16 179.26 1jqe h LYS 99 N 0.12 0.86 -0.71 1.82 1.57 -0.63 -1.53 116.57 118.06 1jqe h LYS 99 Ca 0.09 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1jqe h LYS 99 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1jqe h LYS 99 CO -0.13 0.73 0.33 0.93 -0.57 0.00 0.00 179.45 180.74 1jqe h GLU 100 N 0.84 1.03 0.17 3.15 5.08 -0.50 -1.13 114.58 123.21 1jqe h GLU 100 Ca 0.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1jqe h GLU 100 Cb 0.22 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1jqe h GLU 100 CO -0.01 0.82 -0.08 1.25 -1.00 0.00 0.00 179.01 179.99 1jqe h LEU 101 N 1.00 -0.19 -0.92 1.33 5.85 -0.69 -3.00 115.31 118.69 1jqe h LEU 101 Ca 0.24 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1jqe h LEU 101 Cb 0.14 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1jqe h LEU 101 CO -0.03 0.06 0.55 0.58 -0.34 0.00 0.00 178.44 179.26 1jqe h VAL 102 N -0.44 0.89 0.00 1.05 2.07 -1.15 0.57 116.25 119.24 1jqe h VAL 102 Ca -0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jqe h VAL 102 Cb 0.35 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1jqe h VAL 102 CO 0.04 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1jqe h ALA 103 N 1.51 1.00 0.00 1.67 0.00 -1.07 -1.46 119.26 120.91 1jqe h ALA 103 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jqe h ALA 103 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jqe h ALA 103 CO -0.27 0.00 -1.03 1.63 0.00 0.00 0.00 179.25 179.58 1jqe n LYS 104 N -2.56 0.15 -3.46 0.00 5.02 0.17 -4.95 118.16 112.54 1jqe n LYS 104 Ca -0.01 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1jqe n LYS 104 Cb 0.10 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 1jqe n LYS 104 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jqe s ILE 105 N -3.11 4.96 0.00 -0.18 -1.09 -0.55 -4.98 121.20 116.26 1jqe s ILE 105 Ca 0.06 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1jqe s ILE 105 Cb 0.16 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1jqe s ILE 105 CO 0.83 0.17 0.13 -1.54 -1.23 0.00 0.00 174.94 173.30 1jqe n SER 106 N 0.56 0.27 -2.03 3.58 3.41 -1.26 -4.81 113.62 113.33 1jqe n SER 106 Ca -0.05 -0.81 -0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1jqe n SER 106 Cb 0.52 0.08 0.25 0.00 -0.26 0.00 0.00 64.21 64.80 1jqe n SER 106 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jqe n ASN 107 N -0.08 4.21 -2.83 4.04 6.94 -1.26 -4.38 115.26 121.90 1jqe n ASN 107 Ca 0.00 -3.42 -0.16 0.00 -0.02 0.00 0.00 54.58 50.97 1jqe n ASN 107 Cb 0.13 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.77 1jqe n ASN 107 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1jqe n LEU 108 N -0.65 2.01 0.19 -4.53 4.77 -1.26 -4.94 117.00 112.57 1jqe n LEU 108 Ca 0.49 -4.52 0.03 0.00 -0.03 0.00 0.00 56.01 51.98 1jqe n LEU 108 Cb 1.49 0.30 0.37 0.00 -2.33 0.00 0.00 43.42 43.25 1jqe n LEU 108 CO 0.49 1.96 0.75 -0.33 -1.33 0.00 0.00 177.39 178.93 1jqe h GLU 109 N 2.94 0.01 -0.81 3.23 5.08 -1.97 -3.03 114.58 120.03 1jqe h GLU 109 Ca 0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1jqe h GLU 109 Cb 1.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1jqe h GLU 109 CO 0.58 0.35 0.01 0.09 -1.00 0.00 0.00 179.01 179.05 1jqe n ASN 110 N -4.13 3.28 -4.37 1.42 3.02 -1.26 -4.88 115.26 108.34 1jqe n ASN 110 Ca -0.02 -2.46 -0.33 0.00 -0.03 0.00 0.00 54.58 51.74 1jqe n ASN 110 Cb 0.38 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.81 1jqe n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jqe s VAL 111 N -1.84 2.80 -0.16 2.41 1.01 -1.15 0.97 120.40 124.45 1jqe s VAL 111 Ca 0.26 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1jqe s VAL 111 Cb 0.20 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1jqe s VAL 111 CO 0.08 0.55 -0.06 -0.54 0.00 0.00 0.00 175.10 175.13 1jqe s LYS 112 N -0.03 3.56 0.04 2.72 1.02 0.13 -4.94 119.74 122.24 1jqe s LYS 112 Ca -0.04 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1jqe s LYS 112 Cb -0.14 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1jqe s LYS 112 CO 0.04 0.16 0.06 -0.06 -0.92 0.00 0.00 175.35 174.63 1jqe s PHE 113 N 0.55 3.17 -0.07 3.18 0.40 -1.26 -0.68 117.98 123.27 1jqe s PHE 113 Ca -0.04 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1jqe s PHE 113 Cb -0.15 -1.65 0.04 0.00 0.51 0.00 0.00 43.02 41.77 1jqe s PHE 113 CO 0.03 0.51 0.17 0.00 0.70 0.00 0.00 175.22 176.63 1jqe s ALA 114 N -1.27 -0.32 -0.13 5.36 0.00 -0.87 -4.97 121.76 119.56 1jqe s ALA 114 Ca 0.25 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1jqe s ALA 114 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1jqe s ALA 114 CO 0.17 -0.18 -0.14 -1.58 0.00 0.00 0.00 175.76 174.03 1jqe s TRP 115 N 1.25 2.80 -0.22 0.00 0.51 -1.26 -0.44 118.94 121.57 1jqe s TRP 115 Ca -0.09 -0.66 0.01 0.00 -2.12 0.00 0.00 56.10 53.24 1jqe s TRP 115 Cb -0.11 -1.84 0.04 0.00 -0.81 0.00 0.00 33.47 30.74 1jqe s TRP 115 CO -0.06 -0.22 -0.14 -1.01 -0.51 0.00 0.00 176.95 175.00 1jqe s HIS 116 N 0.35 3.02 -0.95 -1.98 3.76 0.35 -4.96 115.29 114.88 1jqe s HIS 116 Ca -0.11 -1.90 -0.22 0.00 -0.15 0.00 0.00 55.06 52.68 1jqe s HIS 116 Cb -0.16 -1.95 0.07 0.00 1.11 0.00 0.00 32.58 31.65 1jqe s HIS 116 CO 0.06 -0.82 1.31 0.21 -0.85 0.00 0.00 174.74 174.65 1jqe s LYS 117 N 1.22 3.53 0.08 1.40 2.20 -1.25 -1.64 119.74 125.29 1jqe s LYS 117 Ca -0.01 -1.20 -0.27 0.00 -0.36 0.00 0.00 55.97 54.13 1jqe s LYS 117 Cb -0.16 -5.06 0.08 0.00 -1.51 0.00 0.00 37.83 31.18 1jqe s LYS 117 CO -0.08 -2.06 0.97 -1.83 -0.36 0.00 0.00 175.35 171.99 1jqe s GLU 118 N 4.35 0.99 0.63 4.03 -1.05 -1.16 -4.83 118.70 121.66 1jqe s GLU 118 Ca 0.40 -0.50 -0.05 0.00 -0.15 0.00 0.00 54.97 54.67 1jqe s GLU 118 Cb -0.03 0.37 0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1jqe s GLU 118 CO -0.06 -0.45 0.91 0.95 0.95 0.00 0.00 175.26 177.56 1jqe s THR 119 N -3.14 2.88 0.38 1.83 -4.23 -1.26 -2.22 115.64 109.87 1jqe s THR 119 Ca 0.10 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.43 1jqe s THR 119 Cb -0.01 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.82 1jqe s THR 119 CO -0.02 -0.16 1.90 0.77 -0.54 0.00 0.00 174.62 176.57 1jqe h SER 120 N -0.29 0.25 -0.54 3.99 4.64 -1.98 -1.48 113.55 118.15 1jqe h SER 120 Ca -0.44 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 1jqe h SER 120 Cb 1.29 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1jqe h SER 120 CO 0.59 0.41 -0.11 -1.28 -0.87 0.00 0.00 176.83 175.57 1jqe h SER 121 N 0.25 1.03 -0.49 4.97 0.87 -1.98 0.12 113.55 118.31 1jqe h SER 121 Ca 0.05 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.15 1jqe h SER 121 Cb 0.39 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1jqe h SER 121 CO 0.02 1.14 -0.12 -0.33 -0.53 0.00 0.00 176.83 177.01 1jqe h GLU 122 N 0.90 0.94 -0.26 2.24 5.08 -1.86 0.55 114.58 122.17 1jqe h GLU 122 Ca 0.14 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1jqe h GLU 122 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1jqe h GLU 122 CO 0.05 1.02 0.17 -0.92 -1.00 0.00 0.00 179.01 178.33 1jqe h TYR 123 N 0.79 0.32 0.18 4.33 3.20 -1.04 -1.29 116.97 123.46 1jqe h TYR 123 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1jqe h TYR 123 Cb 0.68 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1jqe h TYR 123 CO 0.05 0.20 -0.15 0.37 -1.64 0.00 0.00 178.16 176.99 1jqe h GLN 124 N 0.34 -0.33 -0.63 1.82 4.15 -0.51 -0.78 115.11 119.18 1jqe h GLN 124 Ca 0.10 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.63 1jqe h GLN 124 Cb -0.03 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.66 1jqe h GLN 124 CO -0.03 -0.22 0.26 0.77 -1.93 0.00 0.00 178.83 177.69 1jqe h SER 125 N -0.34 0.29 -0.21 -0.69 0.02 -0.69 -2.11 113.55 109.82 1jqe h SER 125 Ca -0.01 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1jqe h SER 125 Cb 0.31 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jqe h SER 125 CO -0.02 0.17 -0.06 0.03 -1.14 0.00 0.00 176.83 175.82 1jqe h ARG 126 N 0.46 0.41 -0.27 3.45 3.08 -1.00 -2.78 114.38 117.73 1jqe h ARG 126 Ca 0.32 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.26 1jqe h ARG 126 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1jqe h ARG 126 CO -0.29 0.66 0.19 0.52 -1.07 0.00 0.00 179.97 179.97 1jqe h MET 127 N 0.13 0.10 -0.04 0.04 2.86 -0.91 0.90 114.93 118.01 1jqe h MET 127 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jqe h MET 127 Cb 0.51 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1jqe h MET 127 CO 0.02 0.06 0.00 1.28 1.06 0.00 0.00 176.91 179.34 1jqe n LEU 128 N -4.48 0.25 -1.74 1.22 4.77 -0.82 -2.89 117.00 113.31 1jqe n LEU 128 Ca 0.03 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.85 1jqe n LEU 128 Cb 0.27 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.62 1jqe n LEU 128 CO 0.35 0.06 0.95 -0.62 -1.33 0.00 0.00 177.39 176.80 1jqe n GLU 129 N -0.40 3.41 -3.62 3.23 1.02 0.31 -4.95 120.64 119.65 1jqe n GLU 129 Ca 0.03 -3.07 -0.16 0.00 -0.02 0.00 0.00 57.16 53.94 1jqe n GLU 129 Cb 0.05 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.30 1jqe n GLU 129 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jqe n LYS 130 N -0.32 0.56 -0.03 3.49 5.02 -1.14 -5.08 118.16 120.66 1jqe n LYS 130 Ca 0.37 -2.35 -0.14 0.00 -2.02 0.00 0.00 58.31 54.16 1jqe n LYS 130 Cb 1.28 1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 37.63 1jqe n LYS 130 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1jqe n LYS 131 N -0.57 0.69 -4.98 1.97 -0.00 -1.26 -4.93 118.16 109.08 1jqe n LYS 131 Ca -0.01 0.25 -0.27 0.00 -0.00 0.00 0.00 58.31 58.27 1jqe n LYS 131 Cb 0.42 -1.72 -0.16 0.00 -0.00 0.00 0.00 35.03 33.57 1jqe n LYS 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1jqe s GLU 132 N -2.57 1.84 0.06 -1.58 4.04 -1.26 -5.11 118.70 114.12 1jqe s GLU 132 Ca -0.14 -0.71 -0.30 0.00 0.04 0.00 0.00 54.97 53.86 1jqe s GLU 132 Cb 0.07 -1.67 -0.05 0.00 0.02 0.00 0.00 34.13 32.51 1jqe s GLU 132 CO 0.79 0.36 1.03 -0.51 -1.84 0.00 0.00 175.26 175.09 1jqe s LEU 133 N -0.23 4.41 0.00 1.83 2.01 -1.26 -5.00 118.68 120.44 1jqe s LEU 133 Ca 0.02 1.81 -0.30 0.00 0.01 0.00 0.00 54.13 55.67 1jqe s LEU 133 Cb -0.10 -3.58 -0.04 0.00 0.01 0.00 0.00 46.19 42.48 1jqe s LEU 133 CO 0.01 -0.25 1.10 -1.58 1.01 0.00 0.00 176.35 176.64 1jqe s GLN 134 N 0.62 4.47 0.23 1.70 0.74 -1.26 -5.03 119.66 121.12 1jqe s GLN 134 Ca 0.52 1.59 -0.08 0.00 0.05 0.00 0.00 55.36 57.44 1jqe s GLN 134 Cb -0.24 -3.44 -0.06 0.00 1.10 0.00 0.00 33.01 30.36 1jqe s GLN 134 CO 0.29 -0.22 0.53 0.15 -0.55 0.00 0.00 175.29 175.49 1jqe s LYS 135 N 1.33 3.74 0.13 1.67 -0.14 -1.26 -4.80 119.74 120.40 1jqe s LYS 135 Ca 0.55 0.16 0.05 0.00 -1.36 0.00 0.00 55.97 55.37 1jqe s LYS 135 Cb -0.24 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.19 1jqe s LYS 135 CO 0.26 0.31 -0.13 -1.58 -0.76 0.00 0.00 175.35 173.46 1jqe s TRP 136 N -1.86 1.35 -0.13 3.18 0.52 0.13 -4.87 118.94 117.26 1jqe s TRP 136 Ca 0.46 -0.60 0.20 0.00 0.02 0.00 0.00 56.10 56.17 1jqe s TRP 136 Cb -0.11 -0.70 -0.19 0.00 -1.15 0.00 0.00 33.47 31.32 1jqe s TRP 136 CO 0.24 0.13 0.63 -0.25 0.02 0.00 0.00 176.95 177.71 1jqe n ASP 137 N 0.36 0.44 -3.69 2.95 8.00 -0.05 -0.29 116.55 124.27 1jqe n ASP 137 Ca -0.14 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1jqe n ASP 137 Cb 0.58 0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.53 1jqe n ASP 137 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jqe s PHE 138 N -3.13 -0.68 -0.05 1.24 5.36 -1.00 -2.62 117.98 117.10 1jqe s PHE 138 Ca -0.05 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 57.36 1jqe s PHE 138 Cb 0.10 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.11 1jqe s PHE 138 CO 0.84 -0.37 -0.12 0.42 -1.46 0.00 0.00 175.22 174.53 1jqe s ILE 139 N 1.46 1.06 0.03 3.12 1.01 -0.66 -0.39 121.20 126.82 1jqe s ILE 139 Ca -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1jqe s ILE 139 Cb -0.08 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1jqe s ILE 139 CO -0.14 0.33 -0.10 -1.38 0.00 0.00 0.00 174.94 173.65 1jqe s HIS 140 N 0.53 0.88 -0.39 3.97 -3.43 -0.56 -0.01 115.29 116.28 1jqe s HIS 140 Ca -0.11 -0.33 0.01 0.00 -0.80 0.00 0.00 55.06 53.83 1jqe s HIS 140 Cb -0.14 -0.53 0.13 0.00 -1.43 0.00 0.00 32.58 30.61 1jqe s HIS 140 CO 0.03 -0.01 0.21 -1.64 -2.00 0.00 0.00 174.74 171.33 1jqe s MET 141 N -0.98 0.90 -0.34 -0.38 -1.94 0.02 -0.89 119.30 115.68 1jqe s MET 141 Ca -0.01 -1.59 -0.13 0.00 -1.71 0.00 0.00 55.69 52.25 1jqe s MET 141 Cb -0.07 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.91 1jqe s MET 141 CO 0.01 -1.16 0.23 0.42 -0.01 0.00 0.00 175.02 174.51 1jqe s ILE 142 N 0.82 5.18 -1.47 2.53 1.01 -1.25 -1.99 121.20 126.03 1jqe s ILE 142 Ca 0.17 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1jqe s ILE 142 Cb -0.23 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.62 1jqe s ILE 142 CO -0.03 -0.02 1.00 0.00 0.00 0.00 0.00 174.94 175.89 1jqe n GLN 143 N 5.09 -6.04 0.00 2.79 1.13 0.31 -4.87 117.38 115.80 1jqe n GLN 143 Ca -0.13 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1jqe n GLN 143 Cb 0.49 -5.55 0.00 0.00 0.11 0.00 0.00 30.24 25.29 1jqe n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jqe n MET 144 N -4.71 1.97 0.22 -1.09 0.00 -1.26 -4.80 117.12 107.44 1jqe n MET 144 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 57.70 57.84 1jqe n MET 144 Cb 0.55 -0.17 0.75 0.00 0.00 0.00 0.00 33.22 34.35 1jqe n MET 144 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1jqe h LEU 145 N 0.00 0.00 -2.12 3.17 3.38 -1.86 -1.30 115.31 116.58 1jqe h LEU 145 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jqe h LEU 145 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jqe h LEU 145 CO 0.00 0.00 -0.07 1.88 0.09 0.00 0.00 178.44 180.34 1jqe h TYR 146 N 0.00 0.00 -0.72 1.13 -1.99 -1.87 -2.44 116.97 111.08 1jqe h TYR 146 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jqe h TYR 146 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1jqe h TYR 146 CO 0.00 0.07 0.00 0.66 -0.00 0.00 0.00 178.16 178.89 1jqe n TYR 147 N -3.56 0.96 -3.65 4.88 4.02 -0.49 0.22 117.16 119.55 1jqe n TYR 147 Ca -0.02 -0.48 -0.37 0.00 -0.01 0.00 0.00 57.90 57.02 1jqe n TYR 147 Cb 0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 1jqe n TYR 147 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1jqe s VAL 148 N -1.04 5.29 -0.04 -0.72 1.01 -0.92 -4.90 120.40 119.08 1jqe s VAL 148 Ca 0.49 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 1jqe s VAL 148 Cb 0.26 -3.57 -0.21 0.00 0.00 0.00 0.00 36.38 32.85 1jqe s VAL 148 CO 0.34 0.53 1.16 0.50 0.00 0.00 0.00 175.10 177.63 1jqe h LYS 149 N 5.49 -0.02 -3.54 2.72 1.63 -1.88 -3.40 116.57 117.56 1jqe h LYS 149 Ca -0.49 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 58.63 1jqe h LYS 149 Cb 1.20 0.01 -0.37 0.00 -0.60 0.00 0.00 32.23 32.47 1jqe h LYS 149 CO 0.65 0.53 -0.43 0.34 -3.45 0.00 0.00 179.45 177.10 1jqe s ASP 150 N -5.74 5.01 0.05 4.20 -1.08 -1.26 -4.97 116.67 112.88 1jqe s ASP 150 Ca -0.16 -2.90 -0.23 0.00 -0.52 0.00 0.00 52.55 48.74 1jqe s ASP 150 Cb 0.01 -1.80 -0.15 0.00 -1.46 0.00 0.00 42.92 39.52 1jqe s ASP 150 CO 0.66 -0.33 1.52 0.40 0.52 0.00 0.00 175.17 177.94 1jqe h ILE 151 N 5.32 1.20 -0.91 4.11 2.04 -1.93 -1.25 117.51 126.09 1jqe h ILE 151 Ca -0.03 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1jqe h ILE 151 Cb 0.94 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 1jqe h ILE 151 CO 0.71 0.17 0.58 -0.65 0.00 0.00 0.00 178.15 178.96 1jqe h PRO 152 N -0.11 1.04 -0.43 2.37 0.11 -1.96 0.30 132.00 133.32 1jqe h PRO 152 Ca 0.02 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1jqe h PRO 152 Cb 0.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1jqe h PRO 152 CO 0.00 0.69 -0.13 0.00 -0.21 0.00 0.00 178.00 178.35 1jqe h ALA 153 N 1.41 0.95 -0.28 -0.75 0.00 -1.97 -0.76 119.26 117.85 1jqe h ALA 153 Ca 0.39 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jqe h ALA 153 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jqe h ALA 153 CO -0.16 0.61 0.02 1.15 0.00 0.00 0.00 179.25 180.87 1jqe h THR 154 N 0.72 1.25 -0.41 0.00 2.02 -0.09 -0.08 112.91 116.32 1jqe h THR 154 Ca 0.12 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1jqe h THR 154 Cb 0.63 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1jqe h THR 154 CO 0.04 0.28 0.19 -0.07 0.37 0.00 0.00 175.52 176.34 1jqe h LEU 155 N 0.29 0.55 -0.54 2.58 3.38 -0.30 -1.62 115.31 119.66 1jqe h LEU 155 Ca 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1jqe h LEU 155 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1jqe h LEU 155 CO 0.01 0.54 0.13 0.50 0.09 0.00 0.00 178.44 179.71 1jqe h LYS 156 N 0.53 0.86 0.38 1.13 3.64 -1.06 -1.55 116.57 120.51 1jqe h LYS 156 Ca 0.14 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1jqe h LYS 156 Cb 0.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1jqe h LYS 156 CO -0.02 0.82 -0.18 0.35 -2.27 0.00 0.00 179.45 178.15 1jqe h PHE 157 N 0.76 -0.48 -0.11 1.91 3.57 -0.83 -1.87 116.94 119.89 1jqe h PHE 157 Ca 0.17 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1jqe h PHE 157 Cb 0.35 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1jqe h PHE 157 CO 0.02 -0.21 -0.22 0.74 -2.23 0.00 0.00 178.31 176.41 1jqe h PHE 158 N -0.66 0.20 -0.41 0.41 -1.00 -1.32 -1.30 116.94 112.86 1jqe h PHE 158 Ca -0.05 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 1jqe h PHE 158 Cb 0.48 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1jqe h PHE 158 CO -0.01 0.40 0.03 1.25 -1.61 0.00 0.00 178.31 178.37 1jqe h HIS 159 N 0.17 0.66 0.00 -0.55 -0.00 -1.20 -1.54 115.15 112.69 1jqe h HIS 159 Ca 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1jqe h HIS 159 Cb 0.49 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1jqe h HIS 159 CO 0.01 0.61 0.00 0.66 -0.00 0.00 0.00 177.93 179.21 1jqe h SER 160 N 0.61 0.00 0.08 3.26 4.64 -0.38 -2.34 113.55 119.41 1jqe h SER 160 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1jqe h SER 160 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jqe h SER 160 CO 0.01 0.00 -0.09 0.18 -0.87 0.00 0.00 176.83 176.06 1jqe n LEU 161 N -2.43 1.34 -4.70 5.97 4.77 -0.58 -4.90 117.00 116.46 1jqe n LEU 161 Ca 0.01 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 1jqe n LEU 161 Cb 0.21 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1jqe n LEU 161 CO 0.20 0.23 0.95 -0.76 -1.33 0.00 0.00 177.39 176.68 1jqe s LEU 162 N -2.18 4.33 0.00 2.23 1.43 -0.88 0.21 118.68 123.82 1jqe s LEU 162 Ca 0.33 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1jqe s LEU 162 Cb 0.20 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1jqe s LEU 162 CO 0.40 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1jqe n GLY 163 N 3.34 -0.77 3.72 -3.19 0.00 0.60 -4.81 105.19 104.08 1jqe n GLY 163 Ca 0.10 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1jqe n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jqe s THR 164 N -0.56 2.72 -0.42 2.61 2.01 -1.26 -2.17 115.64 118.57 1jqe s THR 164 Ca 0.00 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1jqe s THR 164 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1jqe s THR 164 CO 0.00 0.05 0.00 0.59 -0.69 0.00 0.00 174.62 174.57 1jqe n ASN 165 N 3.71 -5.22 -4.86 3.53 3.02 -1.26 -4.91 115.26 109.28 1jqe n ASN 165 Ca 0.12 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 1jqe n ASN 165 Cb 0.39 -3.07 0.03 0.00 -0.61 0.00 0.00 39.78 36.52 1jqe n ASN 165 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jqe s ALA 166 N -1.57 2.96 0.08 5.41 0.00 -0.92 -3.94 121.76 123.77 1jqe s ALA 166 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1jqe s ALA 166 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1jqe s ALA 166 CO 0.00 -0.89 -0.07 0.15 0.00 0.00 0.00 175.76 174.95 1jqe s LYS 167 N -5.17 0.71 -0.09 0.00 1.02 -1.08 -3.04 119.74 112.09 1jqe s LYS 167 Ca 0.56 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1jqe s LYS 167 Cb -0.12 -0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1jqe s LYS 167 CO 0.54 -0.00 -0.15 1.41 -0.92 0.00 0.00 175.35 176.23 1jqe s MET 168 N -3.07 2.08 -0.16 1.68 -2.45 -0.51 -1.66 119.30 115.21 1jqe s MET 168 Ca 0.04 -0.53 -0.03 0.00 -1.25 0.00 0.00 55.69 53.92 1jqe s MET 168 Cb 0.00 -1.73 -0.02 0.00 1.25 0.00 0.00 34.83 34.33 1jqe s MET 168 CO -0.03 -0.00 -0.06 -1.17 1.05 0.00 0.00 175.02 174.80 1jqe s LEU 169 N 0.80 3.07 -0.03 4.11 2.96 0.98 0.14 118.68 130.70 1jqe s LEU 169 Ca -0.11 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1jqe s LEU 169 Cb -0.16 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1jqe s LEU 169 CO 0.02 0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.37 1jqe s ILE 170 N 0.56 1.46 -0.06 6.68 1.01 0.16 -0.80 121.20 130.21 1jqe s ILE 170 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1jqe s ILE 170 Cb -0.15 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1jqe s ILE 170 CO 0.03 0.42 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1jqe s ILE 171 N -0.12 1.21 0.21 2.92 1.01 -0.84 -0.57 121.20 125.03 1jqe s ILE 171 Ca -0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1jqe s ILE 171 Cb -0.10 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1jqe s ILE 171 CO 0.01 0.37 0.41 0.68 0.00 0.00 0.00 174.94 176.41 1jqe s VAL 172 N 0.47 0.02 0.56 2.92 -7.23 -1.09 -0.53 120.40 115.53 1jqe s VAL 172 Ca -0.12 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 1jqe s VAL 172 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1jqe s VAL 172 CO 0.03 -0.11 1.19 0.68 -0.31 0.00 0.00 175.10 176.59 1jqe s VAL 173 N -3.99 2.79 0.49 1.32 -7.23 -1.26 -0.67 120.40 111.85 1jqe s VAL 173 Ca 0.20 0.51 -0.19 0.00 -1.81 0.00 0.00 61.98 60.69 1jqe s VAL 173 Cb 0.01 -3.22 -0.08 0.00 0.56 0.00 0.00 36.38 33.65 1jqe s VAL 173 CO 0.05 -0.09 1.00 -0.55 -0.31 0.00 0.00 175.10 175.20 1jqe s SER 174 N -1.57 6.48 0.02 4.85 0.15 0.21 -1.31 113.70 122.52 1jqe s SER 174 Ca 0.74 1.76 0.08 0.00 0.70 0.00 0.00 55.95 59.24 1jqe s SER 174 Cb -0.29 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 61.84 1jqe s SER 174 CO 0.32 -0.69 1.26 0.61 1.20 0.00 0.00 173.24 175.95 1jqe n GLY 175 N -0.78 -0.76 1.04 9.45 0.00 -1.26 -0.77 105.19 112.11 1jqe n GLY 175 Ca 0.08 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1jqe n GLY 175 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jqe n SER 176 N -1.56 3.29 -4.57 1.61 3.41 -1.26 -4.74 113.62 109.80 1jqe n SER 176 Ca 0.02 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.39 1jqe n SER 176 Cb 0.08 -0.23 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1jqe n SER 176 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jqe s SER 177 N -1.35 3.47 0.43 4.04 1.04 0.05 -4.91 113.70 116.48 1jqe s SER 177 Ca 0.35 0.71 0.23 0.00 0.48 0.00 0.00 55.95 57.72 1jqe s SER 177 Cb 0.20 -1.10 0.90 0.00 0.10 0.00 0.00 66.02 66.13 1jqe s SER 177 CO 0.28 -2.55 1.82 1.23 0.98 0.00 0.00 173.24 175.00 1jqe h GLY 178 N -1.50 0.00 1.00 7.32 0.00 -0.63 -2.86 103.07 106.40 1jqe h GLY 178 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1jqe h GLY 178 CO 0.55 0.00 0.40 1.49 0.00 0.00 0.00 176.54 178.97 1jqe h TRP 179 N 0.00 0.92 -0.69 5.60 4.06 -1.89 -0.26 115.95 123.68 1jqe h TRP 179 Ca -0.00 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1jqe h TRP 179 Cb 0.75 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.57 1jqe h TRP 179 CO 0.00 0.64 0.42 0.22 -3.56 0.00 0.00 178.44 176.15 1jqe h ASP 180 N 0.93 0.66 -0.03 -3.49 1.82 -1.74 0.65 116.42 115.22 1jqe h ASP 180 Ca 0.24 0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.74 1jqe h ASP 180 Cb 0.00 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 1jqe h ASP 180 CO -0.04 0.44 -0.50 0.11 -1.61 0.00 0.00 179.24 177.64 1jqe h LYS 181 N 0.79 0.59 -0.07 0.28 1.79 -1.50 -2.24 116.57 116.21 1jqe h LYS 181 Ca 0.29 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1jqe h LYS 181 Cb 0.09 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1jqe h LYS 181 CO -0.14 0.96 0.01 1.25 -1.08 0.00 0.00 179.45 180.45 1jqe h LEU 182 N 0.47 0.10 -0.56 2.94 5.85 -0.46 -2.54 115.31 121.11 1jqe h LEU 182 Ca 0.02 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1jqe h LEU 182 Cb 1.04 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1jqe h LEU 182 CO 0.10 0.33 -0.07 -0.50 -0.34 0.00 0.00 178.44 177.96 1jqe h TRP 183 N -0.12 1.15 -0.60 1.25 6.55 -0.90 0.12 115.95 123.39 1jqe h TRP 183 Ca 0.02 -0.22 -0.03 0.00 0.95 0.00 0.00 58.89 59.61 1jqe h TRP 183 Cb 0.27 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.25 1jqe h TRP 183 CO 0.01 1.05 0.26 0.87 -1.05 0.00 0.00 178.44 179.58 1jqe h LYS 184 N 0.92 0.89 0.06 0.49 1.57 -1.42 0.47 116.57 119.57 1jqe h LYS 184 Ca 0.15 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1jqe h LYS 184 Cb 0.63 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1jqe h LYS 184 CO 0.04 0.75 -0.71 -0.22 -0.57 0.00 0.00 179.45 178.73 1jqe h LYS 185 N 0.83 0.13 0.00 3.15 3.64 -1.40 -3.40 116.57 119.53 1jqe h LYS 185 Ca 0.20 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jqe h LYS 185 Cb 0.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1jqe h LYS 185 CO -0.02 1.11 -0.96 0.66 -2.27 0.00 0.00 179.45 177.97 1jqe n TYR 186 N -4.31 0.00 -0.30 1.91 4.02 0.40 -4.73 117.16 114.15 1jqe n TYR 186 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 1jqe n TYR 186 Cb 0.69 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.89 1jqe n TYR 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jqe n GLY 187 N 1.42 -1.87 0.28 2.72 0.00 0.17 -0.14 105.19 107.77 1jqe n GLY 187 Ca 0.02 0.86 0.10 0.00 0.00 0.00 0.00 46.02 47.01 1jqe n GLY 187 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jqe h SER 188 N 0.00 0.00 1.36 1.61 4.64 -1.85 -1.34 113.55 117.97 1jqe h SER 188 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jqe h SER 188 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1jqe h SER 188 CO -0.68 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.82 1jqe n ARG 189 N -4.50 0.25 -2.55 4.77 1.74 0.80 -4.82 116.66 112.35 1jqe n ARG 189 Ca -0.01 0.24 -0.27 0.00 -0.77 0.00 0.00 57.85 57.04 1jqe n ARG 189 Cb 0.17 -1.81 0.01 0.00 -1.02 0.00 0.00 32.46 29.81 1jqe n ARG 189 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jqe s PHE 190 N -3.13 3.46 -0.49 -1.55 2.99 -0.51 -4.97 117.98 113.79 1jqe s PHE 190 Ca 0.10 0.76 -0.27 0.00 0.00 0.00 0.00 56.93 57.52 1jqe s PHE 190 Cb 0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 43.02 40.65 1jqe s PHE 190 CO 0.57 -0.46 2.15 -1.25 -0.00 0.00 0.00 175.22 176.23 1jqe s PRO 191 N -4.83 2.50 0.76 0.24 0.04 -1.26 -4.95 135.00 127.51 1jqe s PRO 191 Ca 0.50 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1jqe s PRO 191 Cb -0.10 -4.46 0.06 0.00 0.04 0.00 0.00 34.50 30.03 1jqe s PRO 191 CO 0.45 -2.84 1.15 1.14 0.04 0.00 0.00 177.00 176.94 1jqe s GLN 192 N 7.41 2.09 0.00 4.56 0.00 -1.26 -5.04 119.66 127.42 1jqe s GLN 192 Ca 0.86 1.50 0.00 0.00 -0.00 0.00 0.00 55.36 57.72 1jqe s GLN 192 Cb -0.18 -1.85 0.00 0.00 0.00 0.00 0.00 33.01 30.98 1jqe s GLN 192 CO 0.26 -1.82 0.00 -3.47 0.00 0.00 0.00 175.29 170.26 1jqe n ASP 193 N -3.13 0.00 0.29 12.60 -0.08 -1.26 -5.01 116.55 119.96 1jqe n ASP 193 Ca 0.11 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.58 1jqe n ASP 193 Cb 0.52 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.84 1jqe n ASP 193 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1jqe h ASP 194 N 0.00 0.00 0.43 1.67 3.32 -1.98 -1.97 116.42 117.88 1jqe h ASP 194 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jqe h ASP 194 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jqe h ASP 194 CO 0.00 0.03 0.00 0.17 -1.72 0.00 0.00 179.24 177.72 1jqe h LEU 195 N 0.00 0.00 -6.76 1.55 -0.00 -1.93 -3.40 115.31 104.77 1jqe h LEU 195 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.67 1jqe h LEU 195 Cb 0.33 0.00 -0.32 0.00 -0.00 0.00 0.00 40.66 40.67 1jqe h LEU 195 CO 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 178.44 177.92 1jqe s GLN 197 N 2.47 3.66 -1.27 0.00 -0.21 0.13 -4.52 119.66 119.92 1jqe s GLN 197 Ca 0.07 0.10 -0.11 0.00 0.02 0.00 0.00 55.36 55.44 1jqe s GLN 197 Cb -0.15 -3.18 0.16 0.00 1.00 0.00 0.00 33.01 30.84 1jqe s GLN 197 CO -0.13 0.72 1.76 0.66 -2.12 0.00 0.00 175.29 176.18 1jqe n TYR 198 N 1.77 3.69 -4.21 0.91 0.53 -1.26 -4.67 117.16 113.92 1jqe n TYR 198 Ca -0.16 -2.98 -0.29 0.00 -1.02 0.00 0.00 57.90 53.45 1jqe n TYR 198 Cb 0.54 -2.09 -0.09 0.00 -1.03 0.00 0.00 39.34 36.67 1jqe n TYR 198 CO 0.00 0.00 0.00 0.96 -1.02 0.00 0.00 176.86 176.80 1jqe s ILE 199 N 1.09 3.55 0.30 -0.72 -5.25 -1.26 -5.07 121.20 113.84 1jqe s ILE 199 Ca 0.42 -1.28 0.01 0.00 -0.99 0.00 0.00 60.65 58.81 1jqe s ILE 199 Cb 0.06 -2.70 -0.00 0.00 2.95 0.00 0.00 42.46 42.76 1jqe s ILE 199 CO 0.00 0.05 0.05 0.35 -1.79 0.00 0.00 174.94 173.59 1jqe n THR 200 N 0.44 0.00 0.27 8.37 -2.24 -1.26 -4.63 114.28 115.22 1jqe n THR 200 Ca -0.12 -1.54 0.12 0.00 -2.27 0.00 0.00 64.05 60.24 1jqe n THR 200 Cb 0.53 0.43 0.77 0.00 -2.10 0.00 0.00 70.33 69.96 1jqe n THR 200 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jqe h SER 201 N 0.92 0.00 -0.69 3.42 4.64 -1.47 -1.90 113.55 118.48 1jqe h SER 201 Ca -0.24 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1jqe h SER 201 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1jqe h SER 201 CO 0.39 0.07 0.17 0.44 -0.87 0.00 0.00 176.83 177.03 1jqe h ASP 202 N 0.00 1.04 -0.28 4.97 3.32 -1.92 0.16 116.42 123.71 1jqe h ASP 202 Ca -0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1jqe h ASP 202 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1jqe h ASP 202 CO 0.01 1.00 -0.15 0.44 -1.72 0.00 0.00 179.24 178.82 1jqe h ASP 203 N 1.03 0.62 -0.49 6.45 3.32 -1.75 -2.67 116.42 122.92 1jqe h ASP 203 Ca 0.22 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1jqe h ASP 203 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1jqe h ASP 203 CO 0.00 0.89 0.09 -0.07 -1.72 0.00 0.00 179.24 178.44 1jqe h LEU 204 N 0.34 0.77 -1.04 1.55 3.38 -1.20 -1.84 115.31 117.27 1jqe h LEU 204 Ca 0.06 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1jqe h LEU 204 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1jqe h LEU 204 CO 0.04 0.82 -0.10 0.71 0.09 0.00 0.00 178.44 180.00 1jqe h THR 205 N 0.68 1.23 -0.47 0.22 1.35 -0.70 0.13 112.91 115.35 1jqe h THR 205 Ca 0.15 -1.03 -0.08 0.00 -0.55 0.00 0.00 66.41 64.90 1jqe h THR 205 Cb 0.37 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1jqe h THR 205 CO 0.01 0.34 -0.02 -0.61 -0.25 0.00 0.00 175.52 174.99 1jqe h GLN 206 N 0.53 0.85 -0.59 4.72 4.15 -1.30 0.16 115.11 123.61 1jqe h GLN 206 Ca 0.10 -0.28 -0.10 0.00 0.77 0.00 0.00 58.65 59.14 1jqe h GLN 206 Cb 0.49 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1jqe h GLN 206 CO 0.03 0.90 -0.02 0.52 -1.93 0.00 0.00 178.83 178.33 1jqe h MET 207 N 0.70 1.06 -0.51 1.69 2.86 -0.94 -0.96 114.93 118.83 1jqe h MET 207 Ca 0.13 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1jqe h MET 207 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1jqe h MET 207 CO 0.03 1.05 0.04 -0.07 1.06 0.00 0.00 176.91 179.02 1jqe h LEU 208 N 0.95 0.84 -0.56 1.22 3.38 -0.77 0.29 115.31 120.66 1jqe h LEU 208 Ca 0.16 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1jqe h LEU 208 Cb 0.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jqe h LEU 208 CO 0.03 0.91 0.36 0.44 0.09 0.00 0.00 178.44 180.27 1jqe h ASP 209 N 0.73 0.61 0.39 -0.43 3.32 -0.48 -0.59 116.42 119.96 1jqe h ASP 209 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1jqe h ASP 209 Cb 0.45 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1jqe h ASP 209 CO 0.02 0.44 -0.39 0.78 -1.72 0.00 0.00 179.24 178.36 1jqe h ASN 210 N 0.73 0.01 1.11 6.45 2.35 -0.90 -1.87 115.58 123.45 1jqe h ASN 210 Ca 0.21 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1jqe h ASN 210 Cb -0.05 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1jqe h ASN 210 CO -0.06 0.41 0.00 0.18 -1.65 0.00 0.00 177.43 176.30 1jqe n LEU 211 N -4.07 0.41 -0.38 1.61 4.77 0.07 -4.90 117.00 114.50 1jqe n LEU 211 Ca -0.02 0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 1jqe n LEU 211 Cb 0.43 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1jqe n LEU 211 CO 0.39 -0.16 -0.04 0.61 -1.33 0.00 0.00 177.39 176.85 1jqe n GLY 212 N 1.09 0.51 3.84 -0.72 0.00 -0.31 -5.03 105.19 104.57 1jqe n GLY 212 Ca 0.05 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1jqe n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jqe s LEU 213 N -1.04 4.45 0.00 0.99 1.43 -0.74 -5.04 118.68 118.73 1jqe s LEU 213 Ca 0.00 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.90 1jqe s LEU 213 Cb 0.00 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1jqe s LEU 213 CO 0.00 0.27 0.65 -1.59 0.23 0.00 0.00 176.35 175.91 1jqe s LYS 214 N -1.30 4.38 0.23 1.70 0.00 -1.26 -4.60 119.74 118.88 1jqe s LYS 214 Ca 0.28 0.83 -0.17 0.00 0.00 0.00 0.00 55.97 56.91 1jqe s LYS 214 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 37.83 34.32 1jqe s LYS 214 CO 0.16 0.31 0.55 1.52 0.00 0.00 0.00 175.35 177.89 1jqe s TYR 215 N -0.04 -0.00 -0.01 1.78 -0.85 -1.26 -1.42 117.35 115.55 1jqe s TYR 215 Ca 0.33 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.56 1jqe s TYR 215 Cb -0.19 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.55 1jqe s TYR 215 CO 0.19 -1.01 -0.15 -1.21 -1.52 0.00 0.00 175.55 171.85 1jqe s GLU 216 N -3.92 1.20 -0.09 -3.49 2.02 -0.19 -4.97 118.70 109.26 1jqe s GLU 216 Ca 0.13 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.63 1jqe s GLU 216 Cb -0.02 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.06 1jqe s GLU 216 CO 0.02 0.31 -0.21 0.00 0.02 0.00 0.00 175.26 175.41 1jqe s TYR 218 N 0.38 2.07 -0.11 0.00 1.51 0.49 -4.94 117.35 116.74 1jqe s TYR 218 Ca -0.17 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.00 1jqe s TYR 218 Cb -0.17 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1jqe s TYR 218 CO 0.07 -0.38 0.07 -0.51 -1.11 0.00 0.00 175.55 173.70 1jqe s ASP 219 N 0.55 5.82 -0.04 2.29 1.11 -1.26 0.68 116.67 125.82 1jqe s ASP 219 Ca -0.16 0.29 0.01 0.00 0.18 0.00 0.00 52.55 52.87 1jqe s ASP 219 Cb -0.17 -1.81 0.02 0.00 1.07 0.00 0.00 42.92 42.03 1jqe s ASP 219 CO 0.05 0.37 -0.05 -0.76 1.18 0.00 0.00 175.17 175.96 1jqe s LEU 220 N -0.78 1.41 0.32 1.23 1.02 0.09 -4.99 118.68 116.98 1jqe s LEU 220 Ca 0.13 -0.15 -0.29 0.00 0.02 0.00 0.00 54.13 53.84 1jqe s LEU 220 Cb -0.12 -0.48 -0.10 0.00 0.02 0.00 0.00 46.19 45.51 1jqe s LEU 220 CO 0.03 -0.03 1.33 -0.22 0.02 0.00 0.00 176.35 177.48 1jqe s LEU 221 N 0.81 4.41 0.02 1.79 2.96 -1.26 -0.85 118.68 126.55 1jqe s LEU 221 Ca -0.11 2.71 -0.13 0.00 -0.22 0.00 0.00 54.13 56.37 1jqe s LEU 221 Cb -0.14 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.92 1jqe s LEU 221 CO 0.01 -0.58 0.29 -0.55 -1.32 0.00 0.00 176.35 174.20 1jqe s SER 222 N -0.35 -0.13 0.10 3.68 0.15 -1.26 -4.85 113.70 111.05 1jqe s SER 222 Ca 0.50 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.10 1jqe s SER 222 Cb -0.40 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1jqe s SER 222 CO 0.52 -0.53 -0.11 0.42 1.20 0.00 0.00 173.24 174.75 1jqe s THR 223 N -2.00 0.99 -0.23 6.45 -4.23 -1.26 0.37 115.64 115.72 1jqe s THR 223 Ca -0.09 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1jqe s THR 223 Cb -0.03 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1jqe s THR 223 CO -0.00 -0.54 -0.10 -0.32 -0.54 0.00 0.00 174.62 173.12 1jqe s MET 224 N -2.78 2.83 -0.60 3.99 1.75 -0.52 -1.21 119.30 122.75 1jqe s MET 224 Ca 0.06 -0.97 -0.27 0.00 -1.25 0.00 0.00 55.69 53.26 1jqe s MET 224 Cb -0.03 -2.88 -0.00 0.00 2.84 0.00 0.00 34.83 34.75 1jqe s MET 224 CO 0.00 -0.37 1.66 0.34 -0.65 0.00 0.00 175.02 176.01 1jqe s ASP 225 N 1.30 5.65 -0.32 1.11 3.68 0.15 -1.02 116.67 127.23 1jqe s ASP 225 Ca 0.00 0.26 0.10 0.00 2.13 0.00 0.00 52.55 55.04 1jqe s ASP 225 Cb -0.16 -2.54 0.63 0.00 -1.45 0.00 0.00 42.92 39.41 1jqe s ASP 225 CO -0.06 -2.09 1.68 2.30 0.13 0.00 0.00 175.17 177.12 1jqe n ILE 226 N 7.01 2.79 -0.13 4.11 -5.35 -0.55 -4.68 119.36 122.55 1jqe n ILE 226 Ca 0.16 -2.03 -0.04 0.00 -0.27 0.00 0.00 62.75 60.57 1jqe n ILE 226 Cb 0.50 -0.35 0.04 0.00 -1.74 0.00 0.00 39.64 38.09 1jqe n ILE 226 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1jqe h SER 227 N 1.75 -0.07 0.25 7.28 0.02 -1.87 -1.67 113.55 119.24 1jqe h SER 227 Ca 0.29 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1jqe h SER 227 Cb 2.12 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.79 1jqe h SER 227 CO 0.64 -0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.77 1jqe h ASP 228 N 0.17 0.00 0.53 3.07 3.32 -1.94 -2.42 116.42 119.16 1jqe h ASP 228 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1jqe h ASP 228 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1jqe h ASP 228 CO -0.31 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.21 1jqe n PHE 230 N -2.65 1.24 -3.85 0.00 3.01 -0.91 -4.73 117.46 109.57 1jqe n PHE 230 Ca -0.00 -0.59 -0.34 0.00 1.01 0.00 0.00 57.45 57.53 1jqe n PHE 230 Cb 0.18 -0.17 -0.13 0.00 -0.01 0.00 0.00 39.48 39.36 1jqe n PHE 230 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1jqe s ILE 231 N -1.61 2.99 0.42 4.37 1.01 -0.72 -5.08 121.20 122.57 1jqe s ILE 231 Ca 0.48 -2.36 -0.25 0.00 0.00 0.00 0.00 60.65 58.52 1jqe s ILE 231 Cb 0.29 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 1jqe s ILE 231 CO 0.25 -0.70 1.14 0.47 0.00 0.00 0.00 174.94 176.11 1jqe n ASP 232 N 4.24 1.89 0.00 3.58 8.00 -1.26 -1.43 116.55 131.57 1jqe n ASP 232 Ca 0.01 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1jqe n ASP 232 Cb 0.40 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1jqe n ASP 232 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqe n GLY 233 N 1.00 2.92 3.65 0.44 0.00 -1.26 -4.98 105.19 106.97 1jqe n GLY 233 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1jqe n GLY 233 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jqe s ASN 234 N -1.92 6.42 0.12 1.61 3.84 -0.51 -4.89 114.94 119.61 1jqe s ASN 234 Ca 0.00 2.33 -0.24 0.00 0.21 0.00 0.00 52.86 55.16 1jqe s ASN 234 Cb 0.00 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1jqe s ASN 234 CO 0.00 -1.12 1.65 -0.08 -2.79 0.00 0.00 177.10 174.77 1jqe h GLU 235 N 10.67 -0.29 -0.62 0.43 4.81 -1.93 0.12 114.58 127.77 1jqe h GLU 235 Ca -0.43 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1jqe h GLU 235 Cb 1.21 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1jqe h GLU 235 CO 0.95 -0.19 0.28 -0.97 -0.73 0.00 0.00 179.01 178.35 1jqe h ASN 236 N -0.30 0.82 -0.82 1.04 -1.24 -1.93 -1.54 115.58 111.61 1jqe h ASN 236 Ca 0.07 -0.14 0.05 0.00 0.71 0.00 0.00 56.30 56.98 1jqe h ASN 236 Cb 0.40 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 1jqe h ASN 236 CO -0.22 0.73 0.51 1.23 -1.29 0.00 0.00 177.43 178.40 1jqe h GLY 237 N 0.85 1.21 1.36 1.57 0.00 -1.57 -0.49 103.07 106.00 1jqe h GLY 237 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1jqe h GLY 237 CO -0.02 0.29 -0.40 -0.55 0.00 0.00 0.00 176.54 175.86 1jqe h ASP 238 N 0.97 0.75 0.61 0.19 3.32 -0.39 -2.05 116.42 119.82 1jqe h ASP 238 Ca 0.34 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1jqe h ASP 238 Cb 0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1jqe h ASP 238 CO -0.14 1.06 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.86 1jqe h LEU 239 N 0.58 0.00 -0.50 1.55 3.38 -0.86 -2.15 115.31 117.31 1jqe h LEU 239 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1jqe h LEU 239 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1jqe h LEU 239 CO 0.09 0.51 -0.62 -0.07 0.09 0.00 0.00 178.44 178.44 1jqe h LEU 240 N 0.00 0.00 -0.41 1.67 3.38 -0.94 -2.08 115.31 116.93 1jqe h LEU 240 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jqe h LEU 240 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1jqe h LEU 240 CO 0.07 0.62 -0.02 -0.50 0.09 0.00 0.00 178.44 178.69 1jqe h TRP 241 N 0.00 0.82 -1.01 1.13 4.06 -0.91 0.67 115.95 120.71 1jqe h TRP 241 Ca -0.01 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.82 1jqe h TRP 241 Cb 1.25 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 29.14 1jqe h TRP 241 CO 0.00 0.83 0.66 -0.44 -3.56 0.00 0.00 178.44 175.93 1jqe h ASP 242 N 0.57 1.12 0.27 -3.49 3.45 -1.20 -0.22 116.42 116.92 1jqe h ASP 242 Ca 0.11 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1jqe h ASP 242 Cb 0.51 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1jqe h ASP 242 CO 0.03 0.78 -0.13 0.15 -1.57 0.00 0.00 179.24 178.49 1jqe h PHE 243 N 1.30 -0.34 -0.81 4.55 3.57 -0.89 0.76 116.94 125.08 1jqe h PHE 243 Ca 0.39 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1jqe h PHE 243 Cb -0.04 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1jqe h PHE 243 CO -0.00 -0.07 0.54 -0.07 -2.23 0.00 0.00 178.31 176.48 1jqe h LEU 244 N -0.58 0.88 -1.35 0.59 3.38 -0.57 -2.68 115.31 114.99 1jqe h LEU 244 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jqe h LEU 244 Cb 0.42 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jqe h LEU 244 CO 0.06 0.61 -0.29 0.35 0.09 0.00 0.00 178.44 179.26 1jqe n THR 245 N -4.44 0.00 -4.11 0.22 -2.24 -0.12 -4.96 114.28 98.63 1jqe n THR 245 Ca 0.10 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1jqe n THR 245 Cb 0.10 1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 1jqe n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jqe n GLU 246 N 0.50 -3.99 -4.09 -0.78 1.02 0.26 -4.56 120.64 109.00 1jqe n GLU 246 Ca 0.11 0.45 -0.24 0.00 -0.02 0.00 0.00 57.16 57.47 1jqe n GLU 246 Cb 0.52 -5.22 -0.17 0.00 -0.02 0.00 0.00 31.44 26.55 1jqe n GLU 246 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jqe s THR 247 N -3.31 0.79 0.22 2.62 2.01 -0.70 -4.73 115.64 112.55 1jqe s THR 247 Ca 0.69 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1jqe s THR 247 Cb -0.37 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 71.23 1jqe s THR 247 CO 0.89 0.31 1.39 0.00 -0.69 0.00 0.00 174.62 176.52 1jqe n ASN 249 N 2.52 -2.88 0.26 0.00 3.02 -1.26 -4.82 115.26 112.09 1jqe n ASN 249 Ca 0.07 -0.91 -0.16 0.00 -0.03 0.00 0.00 54.58 53.54 1jqe n ASN 249 Cb 0.41 -3.74 -0.08 0.00 -0.61 0.00 0.00 39.78 35.76 1jqe n ASN 249 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1jqe h PHE 250 N -1.80 -0.98 -0.10 3.10 3.57 -1.83 -1.54 116.94 117.35 1jqe h PHE 250 Ca -0.63 0.00 0.03 0.00 3.53 0.00 0.00 57.97 60.90 1jqe h PHE 250 Cb 1.36 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 1jqe h PHE 250 CO 0.41 -0.52 0.12 -0.91 -2.23 0.00 0.00 178.31 175.18 1jqe h ASN 251 N -0.80 0.00 0.50 0.41 2.35 -1.90 0.54 115.58 116.69 1jqe h ASN 251 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1jqe h ASN 251 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1jqe h ASN 251 CO -0.03 0.00 -0.73 0.00 -1.65 0.00 0.00 177.43 175.02 1jqe n ALA 252 N -2.32 3.49 0.00 -0.83 0.00 -0.98 -4.48 120.51 115.40 1jqe n ALA 252 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1jqe n ALA 252 Cb 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1jqe n ALA 252 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jqe n THR 253 N -1.76 0.00 -2.38 0.00 -2.24 -0.62 -5.08 114.28 102.21 1jqe n THR 253 Ca 0.04 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1jqe n THR 253 Cb 0.39 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 1jqe n THR 253 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jqe s ALA 254 N -1.44 2.78 0.21 6.98 0.00 0.18 -4.97 121.76 125.50 1jqe s ALA 254 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 1jqe s ALA 254 Cb 0.00 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1jqe s ALA 254 CO 0.00 -0.56 1.65 -2.14 0.00 0.00 0.00 175.76 174.70 1jqe s PRO 255 N -3.29 4.16 0.43 0.00 0.02 -1.26 -4.85 135.00 130.21 1jqe s PRO 255 Ca 0.70 2.52 0.26 0.00 0.02 0.00 0.00 61.00 64.50 1jqe s PRO 255 Cb -0.20 -3.09 1.31 0.00 0.02 0.00 0.00 34.50 32.54 1jqe s PRO 255 CO 0.24 -0.68 1.70 -1.35 -0.33 0.00 0.00 177.00 176.58 1jqe h PRO 256 N 6.41 0.20 0.05 5.54 0.11 -1.96 -0.17 132.00 142.17 1jqe h PRO 256 Ca -0.44 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 1jqe h PRO 256 Cb 1.21 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jqe h PRO 256 CO 0.91 0.13 -1.06 0.38 -0.21 0.00 0.00 178.00 178.16 1jqe h ASP 257 N 0.21 0.56 -0.43 -2.05 2.03 -1.99 -2.10 116.42 112.65 1jqe h ASP 257 Ca 0.71 -0.49 -0.06 0.00 -0.73 0.00 0.00 57.03 56.46 1jqe h ASP 257 Cb 2.13 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 40.44 1jqe h ASP 257 CO -0.33 1.31 0.03 0.25 -1.03 0.00 0.00 179.24 179.48 1jqe h LEU 258 N 0.20 0.72 -0.63 0.15 5.85 -1.43 0.72 115.31 120.88 1jqe h LEU 258 Ca -0.11 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1jqe h LEU 258 Cb 1.72 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 1jqe h LEU 258 CO 0.18 0.83 0.38 -0.09 -0.34 0.00 0.00 178.44 179.40 1jqe h ARG 259 N 0.59 0.86 -0.58 1.25 1.12 -1.36 0.50 114.38 116.77 1jqe h ARG 259 Ca 0.13 -0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 58.88 1jqe h ARG 259 Cb 0.44 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.20 1jqe h ARG 259 CO 0.02 0.62 0.22 0.00 -3.11 0.00 0.00 179.97 177.71 1jqe h ALA 260 N 1.19 0.75 0.06 2.80 0.00 -1.04 -0.80 119.26 122.22 1jqe h ALA 260 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jqe h ALA 260 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1jqe h ALA 260 CO -0.04 0.38 -0.03 1.49 0.00 0.00 0.00 179.25 181.05 1jqe h GLU 261 N 0.80 -0.08 -0.31 0.00 4.81 -0.38 -2.71 114.58 116.70 1jqe h GLU 261 Ca 0.19 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1jqe h GLU 261 Cb 0.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1jqe h GLU 261 CO -0.01 0.12 0.14 -0.07 -0.73 0.00 0.00 179.01 178.45 1jqe h LEU 262 N -0.26 0.19 -2.07 1.64 3.38 -0.83 -1.11 115.31 116.24 1jqe h LEU 262 Ca -0.01 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1jqe h LEU 262 Cb 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jqe h LEU 262 CO 0.01 0.15 0.27 1.23 0.09 0.00 0.00 178.44 180.19 1jqe h GLY 263 N 0.29 0.00 0.02 0.83 0.00 -1.10 0.56 103.07 103.68 1jqe h GLY 263 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1jqe h GLY 263 CO -0.11 0.00 -0.00 0.07 0.00 0.00 0.00 176.54 176.50 1jqe h LYS 264 N 0.00 -0.00 -0.69 4.80 -0.00 -0.93 -3.35 116.57 116.41 1jqe h LYS 264 Ca 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.74 1jqe h LYS 264 Cb 0.70 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.90 1jqe h LYS 264 CO -0.00 0.98 0.18 -0.44 -0.00 0.00 0.00 179.45 180.17 1jqe h ASP 265 N -0.98 1.02 0.08 7.07 3.32 -0.70 -2.21 116.42 124.03 1jqe h ASP 265 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1jqe h ASP 265 Cb 0.98 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1jqe h ASP 265 CO 0.00 0.97 0.00 0.18 -1.72 0.00 0.00 179.24 178.67 1jqe n LEU 266 N -4.24 0.00 -0.40 1.55 4.77 0.14 0.08 117.00 118.90 1jqe n LEU 266 Ca 0.05 0.39 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1jqe n LEU 266 Cb 0.25 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1jqe n LEU 266 CO 0.42 -0.35 0.25 0.00 -1.33 0.00 0.00 177.39 176.38 1jqe n GLN 267 N -1.39 1.35 -2.90 3.23 6.02 -0.83 -4.10 117.38 118.77 1jqe n GLN 267 Ca 0.01 -0.83 -0.32 0.00 -0.01 0.00 0.00 57.00 55.85 1jqe n GLN 267 Cb 0.03 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 1jqe n GLN 267 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jqe s GLU 268 N -2.29 4.01 0.51 -1.09 2.02 0.11 -4.81 118.70 117.17 1jqe s GLU 268 Ca 0.15 0.79 0.23 0.00 0.02 0.00 0.00 54.97 56.17 1jqe s GLU 268 Cb 0.16 -2.31 1.32 0.00 0.10 0.00 0.00 34.13 33.39 1jqe s GLU 268 CO 0.53 0.01 1.97 -1.35 0.02 0.00 0.00 175.26 176.44 1jqe h PRO 269 N 1.79 0.10 -0.09 0.39 0.11 -1.85 0.20 132.00 132.65 1jqe h PRO 269 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1jqe h PRO 269 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jqe h PRO 269 CO 0.63 0.07 -0.06 0.93 -0.21 0.00 0.00 178.00 179.36 1jqe h GLU 270 N 0.10 0.13 0.00 1.05 5.08 -1.93 -3.30 114.58 115.72 1jqe h GLU 270 Ca 0.29 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 58.24 1jqe h GLU 270 Cb 1.02 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 1jqe h GLU 270 CO -0.03 0.21 -2.36 1.19 -1.00 0.00 0.00 179.01 177.01 1jqe n PHE 271 N -4.39 0.00 -4.23 4.33 3.01 -0.21 -4.50 117.46 111.47 1jqe n PHE 271 Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.29 1jqe n PHE 271 Cb 0.18 -0.89 -0.09 0.00 -0.01 0.00 0.00 39.48 38.68 1jqe n PHE 271 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1jqe s SER 272 N -6.88 0.89 0.02 4.37 0.01 0.53 -0.03 113.70 112.61 1jqe s SER 272 Ca -0.33 -1.56 0.06 0.00 1.31 0.00 0.00 55.95 55.42 1jqe s SER 272 Cb 0.11 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 1jqe s SER 272 CO 0.47 -0.96 -0.17 0.00 0.41 0.00 0.00 173.24 172.99 1jqe s ALA 273 N -3.79 1.42 -0.23 1.44 0.00 -0.31 -3.34 121.76 116.94 1jqe s ALA 273 Ca 0.39 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1jqe s ALA 273 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1jqe s ALA 273 CO 0.20 0.31 0.02 0.15 0.00 0.00 0.00 175.76 176.45 1jqe s LYS 274 N -0.88 3.56 -0.16 0.00 1.02 -1.26 -0.37 119.74 121.65 1jqe s LYS 274 Ca 0.05 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 1jqe s LYS 274 Cb -0.08 -3.19 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1jqe s LYS 274 CO 0.01 -0.17 0.54 -1.59 -0.92 0.00 0.00 175.35 173.22 1jqe s LYS 275 N 1.50 0.71 -1.66 1.68 -2.85 -0.60 -4.91 119.74 113.60 1jqe s LYS 275 Ca 0.06 0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 55.58 1jqe s LYS 275 Cb -0.15 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1jqe s LYS 275 CO 0.01 -0.13 0.18 0.39 0.10 0.00 0.00 175.35 175.90 1jqe n GLU 276 N 2.31 -2.56 -0.94 1.78 1.02 -1.26 -1.45 120.64 119.55 1jqe n GLU 276 Ca -0.15 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1jqe n GLU 276 Cb 0.56 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.36 1jqe n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqe n GLY 277 N -1.17 0.46 3.54 0.62 0.00 -1.26 -5.00 105.19 102.39 1jqe n GLY 277 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1jqe n GLY 277 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jqe s LYS 278 N -0.53 1.94 -0.35 1.61 2.36 -0.53 -5.06 119.74 119.18 1jqe s LYS 278 Ca 0.00 -1.33 -0.11 0.00 -2.55 0.00 0.00 55.97 51.98 1jqe s LYS 278 Cb 0.00 -2.09 0.01 0.00 -1.05 0.00 0.00 37.83 34.71 1jqe s LYS 278 CO 0.00 0.42 0.20 0.08 1.55 0.00 0.00 175.35 177.60 1jqe s VAL 279 N -1.72 4.71 -0.43 4.02 1.01 -1.26 -1.56 120.40 125.17 1jqe s VAL 279 Ca 0.24 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1jqe s VAL 279 Cb -0.08 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.85 1jqe s VAL 279 CO 0.14 -0.12 0.28 -0.76 0.00 0.00 0.00 175.10 174.63 1jqe s LEU 280 N 1.60 5.29 0.30 3.92 1.43 0.50 -1.49 118.68 130.24 1jqe s LEU 280 Ca 0.04 -1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 51.19 1jqe s LEU 280 Cb -0.18 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 1jqe s LEU 280 CO 0.07 -0.58 1.46 0.12 0.23 0.00 0.00 176.35 177.65 1jqe s PHE 281 N 1.38 2.87 -0.37 0.29 5.36 -0.19 -1.16 117.98 126.17 1jqe s PHE 281 Ca 0.04 1.08 -0.28 0.00 -0.96 0.00 0.00 56.93 56.81 1jqe s PHE 281 Cb -0.24 -3.89 -0.01 0.00 -0.34 0.00 0.00 43.02 38.54 1jqe s PHE 281 CO 0.01 -2.78 1.66 1.21 -1.46 0.00 0.00 175.22 173.86 1jqe s ASN 282 N 0.11 6.04 -0.34 6.13 3.84 0.96 -1.44 114.94 130.24 1jqe s ASN 282 Ca 0.57 1.09 0.07 0.00 0.21 0.00 0.00 52.86 54.80 1jqe s ASN 282 Cb -0.44 -2.53 0.48 0.00 -0.55 0.00 0.00 41.25 38.21 1jqe s ASN 282 CO 0.50 -1.63 1.45 -3.20 -2.79 0.00 0.00 177.10 171.43 1jqe n ASN 283 N 9.81 3.94 -4.62 -4.21 5.15 0.16 0.02 115.26 125.50 1jqe n ASN 283 Ca 0.20 -3.79 -0.50 0.00 -0.60 0.00 0.00 54.58 49.89 1jqe n ASN 283 Cb 0.47 -0.59 -0.05 0.00 -0.53 0.00 0.00 39.78 39.08 1jqe n ASN 283 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1jqe n THR 284 N -0.97 0.02 -4.07 -0.44 -1.04 -1.14 -3.98 114.28 102.66 1jqe n THR 284 Ca 0.40 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.12 1jqe n THR 284 Cb 0.94 -1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 1jqe n THR 284 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jqe s LEU 285 N 0.79 3.77 -0.12 -4.42 1.43 -0.03 -0.62 118.68 119.47 1jqe s LEU 285 Ca 0.83 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1jqe s LEU 285 Cb -0.86 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1jqe s LEU 285 CO 0.44 0.13 -0.15 -0.44 0.23 0.00 0.00 176.35 176.56 1jqe s SER 286 N -2.65 3.82 -0.31 2.29 0.01 0.16 -0.73 113.70 116.28 1jqe s SER 286 Ca 0.30 -0.37 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 1jqe s SER 286 Cb -0.11 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.59 1jqe s SER 286 CO 0.22 0.17 0.08 -0.36 0.41 0.00 0.00 173.24 173.76 1jqe s PHE 287 N 0.33 3.20 -0.24 2.43 0.40 0.22 -2.66 117.98 121.65 1jqe s PHE 287 Ca -0.12 -1.27 -0.06 0.00 -0.60 0.00 0.00 56.93 54.87 1jqe s PHE 287 Cb -0.16 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 1jqe s PHE 287 CO 0.06 -0.67 0.03 0.42 0.70 0.00 0.00 175.22 175.77 1jqe s ILE 288 N 1.43 4.03 -0.27 0.64 1.01 0.27 -0.38 121.20 127.93 1jqe s ILE 288 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 1jqe s ILE 288 Cb -0.18 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1jqe s ILE 288 CO 0.02 0.37 0.09 -0.69 0.00 0.00 0.00 174.94 174.72 1jqe s VAL 289 N 1.53 4.25 -0.15 2.92 1.01 0.35 -0.66 120.40 129.64 1jqe s VAL 289 Ca 0.06 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1jqe s VAL 289 Cb -0.15 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1jqe s VAL 289 CO 0.02 0.22 0.07 -0.63 0.00 0.00 0.00 175.10 174.77 1jqe s ILE 290 N 1.58 4.86 0.34 2.22 1.01 0.12 -1.02 121.20 130.31 1jqe s ILE 290 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1jqe s ILE 290 Cb -0.16 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1jqe s ILE 290 CO 0.04 0.52 0.71 -1.61 0.00 0.00 0.00 174.94 174.59 1jqe s GLU 291 N -0.11 3.84 0.00 2.79 0.41 -0.50 -1.42 118.70 123.70 1jqe s GLU 291 Ca 0.07 0.47 0.17 0.00 -0.41 0.00 0.00 54.97 55.27 1jqe s GLU 291 Cb -0.12 -2.46 1.02 0.00 -1.78 0.00 0.00 34.13 30.79 1jqe s GLU 291 CO 0.01 0.09 1.42 0.00 -0.49 0.00 0.00 175.26 176.30