#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqp h GLU 4 N 0.00 0.51 -0.51 0.00 4.39 -1.93 0.07 114.58 117.10 1xqp h GLU 4 Ca 0.00 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.10 1xqp h GLU 4 Cb 0.00 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1xqp h GLU 4 CO 0.00 1.14 -0.04 1.03 -1.16 0.00 0.00 179.01 179.99 1xqp h SER 5 N 0.07 0.91 -0.46 1.42 0.87 -1.99 -1.42 113.55 112.94 1xqp h SER 5 Ca -0.08 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 1xqp h SER 5 Cb 1.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1xqp h SER 5 CO 0.13 1.02 0.15 1.56 -0.53 0.00 0.00 176.83 179.16 1xqp h GLN 6 N 0.78 0.72 -0.74 2.24 1.08 -1.90 -2.14 115.11 115.16 1xqp h GLN 6 Ca 0.14 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1xqp h GLN 6 Cb 0.57 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1xqp h GLN 6 CO 0.03 0.68 0.41 1.25 -0.95 0.00 0.00 178.83 180.25 1xqp h LEU 7 N 0.61 0.59 -0.41 1.46 5.85 -0.83 -0.42 115.31 122.17 1xqp h LEU 7 Ca 0.15 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1xqp h LEU 7 Cb 0.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1xqp h LEU 7 CO -0.01 0.35 0.10 0.50 -0.34 0.00 0.00 178.44 179.04 1xqp h LYS 8 N 0.72 0.66 -0.53 1.25 3.64 -1.14 -1.63 116.57 119.55 1xqp h LYS 8 Ca 0.35 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1xqp h LYS 8 Cb 0.29 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1xqp h LYS 8 CO -0.22 0.68 0.30 -0.09 -2.27 0.00 0.00 179.45 177.84 1xqp h ARG 9 N 0.52 0.56 -0.10 1.90 2.43 -0.86 -1.45 114.38 117.39 1xqp h ARG 9 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1xqp h ARG 9 Cb 0.32 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1xqp h ARG 9 CO 0.00 0.37 0.05 0.28 -1.51 0.00 0.00 179.97 179.17 1xqp h VAL 10 N 0.58 1.09 -0.31 0.20 2.07 -0.96 -1.37 116.25 117.55 1xqp h VAL 10 Ca 0.22 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1xqp h VAL 10 Cb 0.07 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xqp h VAL 10 CO -0.12 0.08 0.09 0.40 0.02 0.00 0.00 177.57 178.04 1xqp h ILE 11 N 0.06 0.89 0.00 4.57 2.04 -1.09 -1.75 117.51 122.23 1xqp h ILE 11 Ca 0.04 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xqp h ILE 11 Cb 0.09 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1xqp h ILE 11 CO -0.01 0.04 -0.04 -0.33 0.00 0.00 0.00 178.15 177.81 1xqp h GLU 12 N 0.21 0.00 0.01 2.37 5.08 -1.17 -0.49 114.58 120.60 1xqp h GLU 12 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xqp h GLU 12 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xqp h GLU 12 CO -0.16 0.04 -0.01 1.15 -1.00 0.00 0.00 179.01 179.04 1xqp h THR 13 N 0.00 1.56 0.00 1.13 2.02 -1.07 -3.34 112.91 113.21 1xqp h THR 13 Ca -0.00 -1.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.22 1xqp h THR 13 Cb 0.85 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1xqp h THR 13 CO 0.01 0.48 -0.18 -0.07 0.37 0.00 0.00 175.52 176.13 1xqp h LEU 14 N -0.87 0.00 -2.26 2.58 3.38 -1.27 -1.79 115.31 115.07 1xqp h LEU 14 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xqp h LEU 14 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xqp h LEU 14 CO 0.00 0.18 0.17 -0.09 0.09 0.00 0.00 178.44 178.79 1xqp h ARG 15 N 0.00 0.00 0.00 1.13 2.43 -1.20 -1.45 114.38 115.29 1xqp h ARG 15 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1xqp h ARG 15 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xqp h ARG 15 CO 0.02 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 178.43 1xqp h ARG 16 N 0.00 0.00 -5.35 0.20 3.08 -1.44 -3.40 114.38 107.47 1xqp h ARG 16 Ca 0.07 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.52 1xqp h ARG 16 Cb 0.42 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.35 1xqp h ARG 16 CO -0.00 0.06 -0.25 -0.51 -1.07 0.00 0.00 179.97 178.20 1xqp s LEU 17 N -8.61 4.14 1.01 3.04 1.43 -0.55 -5.09 118.68 114.04 1xqp s LEU 17 Ca -0.05 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1xqp s LEU 17 Cb 0.16 -2.45 0.19 0.00 0.03 0.00 0.00 46.19 44.13 1xqp s LEU 17 CO 0.65 -0.07 1.10 -0.83 0.23 0.00 0.00 176.35 177.43 1xqp s GLY 18 N 1.10 1.56 0.40 -3.19 0.00 -1.26 -4.91 107.32 101.03 1xqp s GLY 18 Ca 0.17 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.58 1xqp s GLY 18 CO 0.08 0.22 1.95 1.19 0.00 0.00 0.00 173.10 176.53 1xqp h ILE 19 N -1.91 1.16 -0.28 0.90 6.09 -1.89 -2.72 117.51 118.86 1xqp h ILE 19 Ca -0.55 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.28 1xqp h ILE 19 Cb 1.33 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 1xqp h ILE 19 CO 0.58 0.21 0.18 -0.08 -3.07 0.00 0.00 178.15 175.98 1xqp h GLU 20 N 0.23 0.37 -0.69 2.19 4.81 -1.98 -0.84 114.58 118.67 1xqp h GLU 20 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1xqp h GLU 20 Cb 0.31 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1xqp h GLU 20 CO 0.02 0.25 0.39 1.49 -0.73 0.00 0.00 179.01 180.43 1xqp h GLU 21 N 0.38 0.96 -0.40 1.92 4.57 -1.91 -2.05 114.58 118.05 1xqp h GLU 21 Ca 0.10 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1xqp h GLU 21 Cb -0.04 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 1xqp h GLU 21 CO -0.02 0.70 0.25 0.28 -1.18 0.00 0.00 179.01 179.05 1xqp h VAL 22 N 0.95 1.08 -0.87 0.32 2.07 -1.24 0.26 116.25 118.83 1xqp h VAL 22 Ca 0.25 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1xqp h VAL 22 Cb 0.01 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1xqp h VAL 22 CO -0.04 0.09 0.57 -0.07 0.02 0.00 0.00 177.57 178.14 1xqp h LEU 23 N 0.52 0.92 -0.23 2.57 3.38 -0.95 -0.01 115.31 121.50 1xqp h LEU 23 Ca 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1xqp h LEU 23 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1xqp h LEU 23 CO -0.04 0.62 -0.02 0.11 0.09 0.00 0.00 178.44 179.20 1xqp h LYS 24 N 1.06 0.42 -0.99 1.13 1.57 -0.78 -2.96 116.57 116.02 1xqp h LYS 24 Ca 0.35 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1xqp h LYS 24 Cb 0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1xqp h LYS 24 CO -0.11 0.63 0.65 -0.07 -0.57 0.00 0.00 179.45 179.98 1xqp h LEU 25 N 0.18 1.08 -1.59 2.94 3.38 -0.49 -2.44 115.31 118.37 1xqp h LEU 25 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1xqp h LEU 25 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xqp h LEU 25 CO 0.02 0.74 -0.21 -0.08 0.09 0.00 0.00 178.44 178.99 1xqp h GLU 26 N 1.25 0.00 0.00 1.13 4.81 -0.91 -2.43 114.58 118.42 1xqp h GLU 26 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1xqp h GLU 26 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xqp h GLU 26 CO -0.13 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.37 1xqp h ARG 27 N 0.00 0.00 -0.02 1.92 2.47 -1.27 -2.10 114.38 115.38 1xqp h ARG 27 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xqp h ARG 27 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1xqp h ARG 27 CO 0.03 0.00 -0.17 0.54 0.56 0.00 0.00 179.97 180.93 1xqp n ARG 28 N -2.46 1.47 -1.68 0.04 5.12 -0.92 -4.69 116.66 113.55 1xqp n ARG 28 Ca -0.01 -1.04 -0.45 0.00 -1.93 0.00 0.00 57.85 54.43 1xqp n ARG 28 Cb 0.12 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 1xqp n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1xqp n ASP 29 N 0.14 3.73 -0.10 0.55 -0.08 -0.79 -4.85 116.55 115.15 1xqp n ASP 29 Ca 0.14 0.99 0.22 0.00 -1.51 0.00 0.00 54.79 54.63 1xqp n ASP 29 Cb 0.43 -1.47 0.65 0.00 2.34 0.00 0.00 41.12 43.07 1xqp n ASP 29 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xqp h PRO 30 N 8.54 0.10 -0.59 -0.67 0.13 -1.91 -0.64 132.00 136.97 1xqp h PRO 30 Ca -0.47 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1xqp h PRO 30 Cb 1.24 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1xqp h PRO 30 CO 0.94 0.07 0.22 1.96 -0.23 0.00 0.00 178.00 180.95 1xqp h GLN 31 N 0.10 0.88 -0.26 0.86 4.20 -1.88 -2.62 115.11 116.39 1xqp h GLN 31 Ca 0.34 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1xqp h GLN 31 Cb 1.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1xqp h GLN 31 CO -0.04 0.73 0.15 -0.92 -0.67 0.00 0.00 178.83 178.09 1xqp h TYR 32 N 0.86 0.34 -0.51 2.96 5.03 -1.43 -1.89 116.97 122.33 1xqp h TYR 32 Ca 0.20 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.54 1xqp h TYR 32 Cb 0.20 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 1xqp h TYR 32 CO 0.01 0.26 0.30 -0.09 -1.32 0.00 0.00 178.16 177.33 1xqp h ARG 33 N 0.32 0.58 -0.03 1.82 9.65 -1.45 -0.07 114.38 125.21 1xqp h ARG 33 Ca 0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1xqp h ARG 33 Cb 0.02 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1xqp h ARG 33 CO -0.02 0.38 0.02 0.00 2.80 0.00 0.00 179.97 183.15 1xqp h ALA 34 N 1.24 0.04 -0.75 2.80 0.00 -1.37 0.10 119.26 121.32 1xqp h ALA 34 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xqp h ALA 34 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xqp h ALA 34 CO -0.10 -0.47 0.46 0.28 0.00 0.00 0.00 179.25 179.42 1xqp h VAL 35 N 0.04 1.21 -0.45 0.00 2.07 -1.15 -2.44 116.25 115.53 1xqp h VAL 35 Ca 0.01 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1xqp h VAL 35 Cb -0.00 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1xqp h VAL 35 CO -0.01 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.60 1xqp h ASN 37 N 0.78 0.97 -0.27 0.00 2.35 -0.78 -0.22 115.58 118.41 1xqp h ASN 37 Ca 0.11 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1xqp h ASN 37 Cb 0.75 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1xqp h ASN 37 CO 0.06 0.67 -0.17 0.58 -1.65 0.00 0.00 177.43 176.92 1xqp h VAL 38 N 1.13 1.30 -0.75 2.81 2.07 -1.05 -2.40 116.25 119.36 1xqp h VAL 38 Ca 0.35 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1xqp h VAL 38 Cb -0.02 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1xqp h VAL 38 CO -0.11 0.41 0.47 0.58 0.02 0.00 0.00 177.57 178.94 1xqp h VAL 39 N 0.31 1.21 -0.65 2.57 2.07 -1.03 -0.63 116.25 120.09 1xqp h VAL 39 Ca 0.05 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1xqp h VAL 39 Cb 0.70 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1xqp h VAL 39 CO 0.05 0.21 0.30 0.11 0.02 0.00 0.00 177.57 178.25 1xqp h LYS 40 N 1.02 0.94 -0.07 1.57 1.57 -0.99 0.83 116.57 121.45 1xqp h LYS 40 Ca 0.27 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1xqp h LYS 40 Cb -0.07 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1xqp h LYS 40 CO -0.05 0.74 -0.26 -0.09 -0.57 0.00 0.00 179.45 179.21 1xqp h ARG 41 N 0.93 0.29 -0.01 3.15 9.65 -0.99 -3.38 114.38 124.03 1xqp h ARG 41 Ca 0.23 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1xqp h ARG 41 Cb 0.12 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1xqp h ARG 41 CO -0.03 0.86 -0.47 0.72 2.80 0.00 0.00 179.97 183.85 1xqp n HIS 42 N -4.49 0.00 0.00 2.20 8.25 -0.28 -5.10 115.22 115.80 1xqp n HIS 42 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1xqp n HIS 42 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1xqp n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xqp n GLY 43 N 1.21 -1.01 0.08 -1.41 0.00 0.28 -4.31 105.19 100.02 1xqp n GLY 43 Ca 0.05 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 1xqp n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xqp h GLU 44 N 0.00 0.14 0.23 1.61 4.81 -1.96 -0.73 114.58 118.67 1xqp h GLU 44 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xqp h GLU 44 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1xqp h GLU 44 CO 0.00 0.25 -0.11 1.15 -0.73 0.00 0.00 179.01 179.57 1xqp h THR 45 N -0.00 0.81 -0.18 0.32 2.02 -1.96 -1.31 112.91 112.61 1xqp h THR 45 Ca 0.03 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1xqp h THR 45 Cb 0.16 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1xqp h THR 45 CO -0.00 0.16 0.02 0.58 0.37 0.00 0.00 175.52 176.65 1xqp h VAL 46 N -0.75 1.24 -0.80 3.16 2.07 -1.76 -1.84 116.25 117.57 1xqp h VAL 46 Ca -0.03 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1xqp h VAL 46 Cb 0.50 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1xqp h VAL 46 CO 0.05 0.24 0.48 1.23 0.02 0.00 0.00 177.57 179.59 1xqp h GLY 47 N 0.08 1.19 1.37 2.17 0.00 -1.22 -1.06 103.07 105.60 1xqp h GLY 47 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1xqp h GLY 47 CO 0.01 0.23 -0.38 1.48 0.00 0.00 0.00 176.54 177.87 1xqp h SER 48 N 0.87 0.73 -0.34 0.19 4.64 -1.11 -1.37 113.55 117.15 1xqp h SER 48 Ca 0.35 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xqp h SER 48 Cb 0.18 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1xqp h SER 48 CO -0.18 1.03 0.20 0.03 -0.87 0.00 0.00 176.83 177.04 1xqp h ARG 49 N 0.57 0.47 -0.43 4.77 3.08 -1.00 -0.03 114.38 121.81 1xqp h ARG 49 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xqp h ARG 49 Cb 0.91 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1xqp h ARG 49 CO 0.08 0.38 0.24 -0.07 -1.07 0.00 0.00 179.97 179.53 1xqp h LEU 50 N 0.44 0.53 -0.67 3.04 3.38 -1.00 -1.56 115.31 119.46 1xqp h LEU 50 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xqp h LEU 50 Cb 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1xqp h LEU 50 CO -0.02 0.46 0.30 0.00 0.09 0.00 0.00 178.44 179.27 1xqp h ALA 51 N 1.09 0.87 0.05 1.53 0.00 -1.13 -1.28 119.26 120.39 1xqp h ALA 51 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xqp h ALA 51 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xqp h ALA 51 CO -0.03 0.46 -0.06 1.98 0.00 0.00 0.00 179.25 181.60 1xqp h MET 52 N 0.94 -0.12 -0.61 0.00 1.85 -0.67 -1.62 114.93 114.69 1xqp h MET 52 Ca 0.23 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.36 1xqp h MET 52 Cb 0.16 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.17 1xqp h MET 52 CO -0.02 -0.08 0.36 -0.07 -0.40 0.00 0.00 176.91 176.69 1xqp h LEU 53 N -0.13 0.57 -0.67 3.39 3.38 -1.14 -1.26 115.31 119.45 1xqp h LEU 53 Ca 0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xqp h LEU 53 Cb 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xqp h LEU 53 CO -0.03 0.39 0.42 -1.13 0.09 0.00 0.00 178.44 178.18 1xqp h ASN 54 N 0.70 0.70 -0.60 -0.43 -0.73 -0.98 -2.76 115.58 111.48 1xqp h ASN 54 Ca 0.26 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 1xqp h ASN 54 Cb 0.07 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1xqp h ASN 54 CO -0.13 0.49 0.23 0.00 -0.37 0.00 0.00 177.43 177.65 1xqp h ALA 55 N 1.28 0.78 0.00 1.57 0.00 -0.79 -2.58 119.26 119.51 1xqp h ALA 55 Ca 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xqp h ALA 55 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xqp h ALA 55 CO -0.10 0.40 -0.05 -0.07 0.00 0.00 0.00 179.25 179.44 1xqp h LEU 56 N 0.83 0.00 -3.24 0.00 3.38 -0.97 -2.14 115.31 113.17 1xqp h LEU 56 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1xqp h LEU 56 Cb 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1xqp h LEU 56 CO -0.01 0.05 -0.04 2.30 0.09 0.00 0.00 178.44 180.82 1xqp n ILE 57 N -3.89 2.31 -2.47 1.22 -5.35 -1.07 -4.87 119.36 105.24 1xqp n ILE 57 Ca -0.03 -2.26 -0.43 0.00 -0.27 0.00 0.00 62.75 59.76 1xqp n ILE 57 Cb 0.14 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 1xqp n ILE 57 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xqp n SER 58 N -0.88 5.21 -3.76 7.28 7.64 -0.81 -4.89 113.62 123.42 1xqp n SER 58 Ca 0.24 -3.12 -0.11 0.00 1.01 0.00 0.00 58.87 56.89 1xqp n SER 58 Cb 0.90 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.56 1xqp n SER 58 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1xqp s TYR 59 N 0.24 -0.07 -1.32 1.43 -0.85 -1.26 -4.95 117.35 110.57 1xqp s TYR 59 Ca 0.39 -0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 56.66 1xqp s TYR 59 Cb 0.08 0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.51 1xqp s TYR 59 CO 0.01 -0.53 0.50 0.54 -1.52 0.00 0.00 175.55 174.55 1xqp n ARG 60 N 0.36 -1.70 -2.54 -3.49 1.74 -1.26 -4.94 116.66 104.83 1xqp n ARG 60 Ca -0.18 0.29 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 1xqp n ARG 60 Cb 0.60 -3.83 -0.01 0.00 -1.02 0.00 0.00 32.46 28.21 1xqp n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xqp s LEU 61 N -7.02 3.61 -0.05 0.55 1.43 -1.26 -4.72 118.68 111.23 1xqp s LEU 61 Ca 0.23 1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 54.20 1xqp s LEU 61 Cb -0.10 -4.07 -0.22 0.00 0.03 0.00 0.00 46.19 41.83 1xqp s LEU 61 CO 0.92 -0.58 1.07 0.71 0.23 0.00 0.00 176.35 178.70 1xqp h THR 62 N 0.41 1.52 -2.73 5.49 1.35 -1.85 -3.48 112.91 113.62 1xqp h THR 62 Ca -0.46 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1xqp h THR 62 Cb 1.20 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1xqp h THR 62 CO 0.62 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 1xqp n GLY 63 N 0.88 7.48 3.76 5.82 0.00 -1.26 -5.12 105.19 116.75 1xqp n GLY 63 Ca -0.09 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 1xqp n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xqp n LYS 64 N 0.00 2.59 -0.35 1.61 5.02 -1.26 -4.92 118.16 120.85 1xqp n LYS 64 Ca 0.00 0.91 -0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1xqp n LYS 64 Cb 0.00 -2.62 0.06 0.00 -0.02 0.00 0.00 35.03 32.45 1xqp n LYS 64 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1xqp h GLY 65 N 3.06 0.20 1.00 0.72 0.00 -1.99 -2.14 103.07 103.91 1xqp h GLY 65 Ca -0.50 0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1xqp h GLY 65 CO 0.65 -0.24 0.59 0.83 0.00 0.00 0.00 176.54 178.37 1xqp h GLU 66 N -0.02 1.08 -0.21 4.80 3.07 -2.00 -2.05 114.58 119.26 1xqp h GLU 66 Ca 0.36 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.02 1xqp h GLU 66 Cb 0.61 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1xqp h GLU 66 CO -0.95 0.71 -0.45 0.93 -1.40 0.00 0.00 179.01 177.86 1xqp h GLU 67 N 1.11 0.52 -0.37 2.33 5.08 -1.79 -1.62 114.58 119.85 1xqp h GLU 67 Ca 0.36 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1xqp h GLU 67 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xqp h GLU 67 CO -0.11 0.87 0.17 1.25 -1.00 0.00 0.00 179.01 180.19 1xqp h HIS 68 N 0.42 0.54 -0.56 4.33 -0.00 -0.90 -2.05 115.15 116.92 1xqp h HIS 68 Ca 0.03 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 1xqp h HIS 68 Cb 0.96 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 1xqp h HIS 68 CO 0.04 0.47 0.02 -1.49 -0.00 0.00 0.00 177.93 176.97 1xqp h TRP 69 N 0.45 1.06 -0.58 5.26 4.06 -1.30 -1.73 115.95 123.18 1xqp h TRP 69 Ca 0.13 -0.18 0.04 0.00 2.06 0.00 0.00 58.89 60.94 1xqp h TRP 69 Cb 0.14 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 1xqp h TRP 69 CO -0.01 0.95 0.32 0.93 -3.56 0.00 0.00 178.44 177.07 1xqp h GLU 70 N 0.86 0.60 -0.50 0.49 5.08 -1.23 -1.39 114.58 118.49 1xqp h GLU 70 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xqp h GLU 70 Cb 0.51 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1xqp h GLU 70 CO 0.02 0.40 0.32 -0.92 -1.00 0.00 0.00 179.01 177.83 1xqp h TYR 71 N 0.62 0.65 -0.55 4.33 3.20 -1.06 -1.90 116.97 122.26 1xqp h TYR 71 Ca 0.25 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.21 1xqp h TYR 71 Cb 0.11 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1xqp h TYR 71 CO -0.08 0.43 0.20 0.35 -1.64 0.00 0.00 178.16 177.42 1xqp h PHE 72 N 0.68 0.35 -0.29 -3.82 3.57 -1.01 -1.09 116.94 115.32 1xqp h PHE 72 Ca 0.18 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1xqp h PHE 72 Cb -0.05 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1xqp h PHE 72 CO -0.03 0.10 0.08 0.78 -2.23 0.00 0.00 178.31 177.01 1xqp h GLY 73 N 0.38 0.50 1.22 2.40 0.00 -0.90 -2.45 103.07 104.23 1xqp h GLY 73 Ca 0.27 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1xqp h GLY 73 CO -0.27 0.29 0.05 0.50 0.00 0.00 0.00 176.54 177.11 1xqp h LYS 74 N 0.31 0.95 0.34 4.80 1.57 -1.21 -1.40 116.57 121.94 1xqp h LYS 74 Ca 0.09 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1xqp h LYS 74 Cb 0.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xqp h LYS 74 CO -0.00 0.91 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.70 1xqp h TYR 75 N 0.89 -0.43 0.00 -1.35 5.03 -1.04 -3.28 116.97 116.79 1xqp h TYR 75 Ca 0.17 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.38 1xqp h TYR 75 Cb 0.45 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 1xqp h TYR 75 CO 0.03 -0.23 -0.76 0.74 -1.32 0.00 0.00 178.16 176.61 1xqp h PHE 76 N -0.52 0.00 0.00 -3.82 0.04 -1.48 -3.33 116.94 107.83 1xqp h PHE 76 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1xqp h PHE 76 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1xqp h PHE 76 CO -0.04 0.38 -0.08 0.77 -0.60 0.00 0.00 178.31 178.75 1xqp h SER 77 N 0.00 0.00 0.00 2.17 0.02 -1.31 -3.11 113.55 111.32 1xqp h SER 77 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1xqp h SER 77 Cb 1.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.82 1xqp h SER 77 CO 0.04 0.08 -0.50 0.00 -1.14 0.00 0.00 176.83 175.31 1xqp n GLN 78 N -3.39 1.29 -3.83 3.45 10.64 -1.24 -4.94 117.38 119.35 1xqp n GLN 78 Ca -0.01 -2.97 -0.14 0.00 -1.83 0.00 0.00 57.00 52.05 1xqp n GLN 78 Cb 0.23 -1.35 -0.15 0.00 -0.86 0.00 0.00 30.24 28.11 1xqp n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1xqp s LEU 79 N -2.66 1.38 0.23 2.61 2.96 -1.18 -5.10 118.68 116.92 1xqp s LEU 79 Ca 0.36 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 1xqp s LEU 79 Cb 0.35 -0.08 -0.09 0.00 0.50 0.00 0.00 46.19 46.87 1xqp s LEU 79 CO -0.07 -0.08 1.18 -0.70 -1.32 0.00 0.00 176.35 175.36 1xqp s GLU 80 N 0.73 4.53 -0.17 1.98 2.56 -1.26 -4.90 118.70 122.16 1xqp s GLU 80 Ca -0.06 1.88 -0.02 0.00 0.00 0.00 0.00 54.97 56.77 1xqp s GLU 80 Cb -0.09 -3.21 -0.01 0.00 2.00 0.00 0.00 34.13 32.82 1xqp s GLU 80 CO -0.02 -0.00 -0.08 0.08 -0.56 0.00 0.00 175.26 174.68 1xqp s VAL 81 N -0.50 3.33 -0.00 3.70 1.01 -1.26 -5.03 120.40 121.65 1xqp s VAL 81 Ca 0.50 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1xqp s VAL 81 Cb -0.33 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1xqp s VAL 81 CO 0.39 0.48 -0.06 -0.38 0.00 0.00 0.00 175.10 175.53 1xqp n ILE 82 N 4.08 0.68 -3.73 2.22 2.08 -1.26 -4.96 119.36 118.47 1xqp n ILE 82 Ca -0.18 0.25 -0.37 0.00 0.56 0.00 0.00 62.75 63.00 1xqp n ILE 82 Cb 0.52 -1.53 -0.12 0.00 -0.75 0.00 0.00 39.64 37.75 1xqp n ILE 82 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1xqp s ASP 83 N -5.31 5.22 0.10 4.38 2.15 -1.26 -5.03 116.67 116.91 1xqp s ASP 83 Ca -0.05 -0.46 -0.23 0.00 0.43 0.00 0.00 52.55 52.24 1xqp s ASP 83 Cb 0.01 -1.93 -0.11 0.00 -0.30 0.00 0.00 42.92 40.59 1xqp s ASP 83 CO 0.08 -0.13 1.72 0.25 -0.17 0.00 0.00 175.17 176.92 1xqp h LEU 84 N 8.26 -0.15 0.21 -1.34 6.46 -1.95 -1.02 115.31 125.79 1xqp h LEU 84 Ca -0.35 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1xqp h LEU 84 Cb 1.15 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 1xqp h LEU 84 CO 0.60 -0.08 -0.31 0.00 -0.62 0.00 0.00 178.44 178.03 1xqp h ARG 86 N -0.59 -0.33 -0.72 0.00 3.08 -1.98 -1.05 114.38 112.79 1xqp h ARG 86 Ca 0.01 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xqp h ARG 86 Cb 0.57 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1xqp h ARG 86 CO -0.12 -0.22 0.34 -0.44 -1.07 0.00 0.00 179.97 178.46 1xqp h ASP 87 N -0.35 0.94 -0.45 7.04 3.32 -1.14 -1.11 116.42 124.67 1xqp h ASP 87 Ca 0.10 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1xqp h ASP 87 Cb 0.50 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xqp h ASP 87 CO -0.33 0.81 0.04 0.15 -1.72 0.00 0.00 179.24 178.20 1xqp h PHE 88 N 1.01 0.81 -0.50 4.55 3.57 -1.05 -1.72 116.94 123.61 1xqp h PHE 88 Ca 0.25 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1xqp h PHE 88 Cb 0.12 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1xqp h PHE 88 CO 0.01 0.78 0.11 -0.07 -2.23 0.00 0.00 178.31 176.91 1xqp h LEU 89 N 0.61 0.72 -0.52 0.59 4.07 -0.95 -1.12 115.31 118.71 1xqp h LEU 89 Ca 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xqp h LEU 89 Cb 0.43 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1xqp h LEU 89 CO 0.01 0.72 0.33 0.50 -1.08 0.00 0.00 178.44 178.93 1xqp h LYS 90 N 0.74 0.70 -0.76 1.13 3.64 -1.02 -2.35 116.57 118.65 1xqp h LYS 90 Ca 0.16 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1xqp h LYS 90 Cb 0.30 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1xqp h LYS 90 CO 0.00 0.48 0.48 -0.92 -2.27 0.00 0.00 179.45 177.22 1xqp h TYR 91 N 0.70 0.91 -0.76 1.91 3.20 -0.85 -2.31 116.97 119.77 1xqp h TYR 91 Ca 0.19 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.14 1xqp h TYR 91 Cb -0.05 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 37.86 1xqp h TYR 91 CO -0.03 0.52 0.46 0.82 -1.64 0.00 0.00 178.16 178.28 1xqp h ILE 92 N 0.94 1.03 0.00 1.81 2.04 -0.94 -1.67 117.51 120.72 1xqp h ILE 92 Ca 0.31 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1xqp h ILE 92 Cb 0.01 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1xqp h ILE 92 CO -0.11 0.16 -0.07 -0.33 0.00 0.00 0.00 178.15 177.79 1xqp h GLU 93 N 0.85 0.00 0.09 2.37 5.08 -0.90 -3.29 114.58 118.78 1xqp h GLU 93 Ca 0.33 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.35 1xqp h GLU 93 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1xqp h GLU 93 CO -0.16 0.07 -1.86 2.41 -1.00 0.00 0.00 179.01 178.47 1xqp n THR 94 N -3.25 1.71 -1.92 1.13 -1.04 -0.90 -4.98 114.28 105.04 1xqp n THR 94 Ca -0.00 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1xqp n THR 94 Cb 0.30 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 1xqp n THR 94 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xqp s SER 95 N -6.99 6.57 0.36 8.00 0.15 -0.68 -4.90 113.70 116.22 1xqp s SER 95 Ca -0.25 2.61 0.27 0.00 0.70 0.00 0.00 55.95 59.29 1xqp s SER 95 Cb 0.07 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 62.96 1xqp s SER 95 CO 0.72 -0.85 1.81 1.55 1.20 0.00 0.00 173.24 177.68 1xqp h PRO 96 N 7.09 0.00 0.00 5.44 0.13 -1.92 -2.49 132.00 140.25 1xqp h PRO 96 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xqp h PRO 96 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xqp h PRO 96 CO 0.92 0.00 -0.10 0.74 -0.23 0.00 0.00 178.00 179.33 1xqp h PHE 97 N 0.00 0.00 -0.28 1.56 -1.00 -1.97 -3.34 116.94 111.91 1xqp h PHE 97 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xqp h PHE 97 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1xqp h PHE 97 CO 0.00 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.98 1xqp n LEU 98 N -2.75 3.00 0.22 1.54 4.77 -0.94 -3.34 117.00 119.51 1xqp n LEU 98 Ca 0.04 -2.24 0.07 0.00 -0.03 0.00 0.00 56.01 53.85 1xqp n LEU 98 Cb 0.49 -0.28 0.52 0.00 -2.33 0.00 0.00 43.42 41.83 1xqp n LEU 98 CO 0.33 0.69 0.85 0.11 -1.33 0.00 0.00 177.39 178.04 1xqp h LYS 99 N 1.68 0.00 -6.47 3.23 1.79 -1.69 -3.39 116.57 111.73 1xqp h LYS 99 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1xqp h LYS 99 Cb 0.86 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1xqp h LYS 99 CO 0.05 0.24 0.67 0.42 -1.08 0.00 0.00 179.45 179.75 1xqp s ILE 100 N -4.22 3.76 -1.27 1.86 1.01 -1.26 -3.99 121.20 117.09 1xqp s ILE 100 Ca -0.03 1.24 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 1xqp s ILE 100 Cb 0.14 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1xqp s ILE 100 CO 0.66 0.07 0.90 0.61 0.00 0.00 0.00 174.94 177.18 1xqp n GLY 101 N 3.39 -0.36 0.33 6.18 0.00 -1.26 -4.91 105.19 108.57 1xqp n GLY 101 Ca 0.11 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1xqp n GLY 101 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xqp h VAL 102 N -1.97 1.26 -0.61 1.61 2.07 -1.76 -2.47 116.25 114.39 1xqp h VAL 102 Ca -0.60 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 65.92 1xqp h VAL 102 Cb 1.35 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xqp h VAL 102 CO 0.54 0.36 0.05 -0.33 0.02 0.00 0.00 177.57 178.21 1xqp h GLU 103 N 1.11 1.02 -0.45 1.57 4.39 -1.94 -0.71 114.58 119.58 1xqp h GLU 103 Ca 0.24 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1xqp h GLU 103 Cb 0.31 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1xqp h GLU 103 CO -0.01 0.97 -0.06 0.00 -1.16 0.00 0.00 179.01 178.76 1xqp h ALA 104 N 1.09 1.05 -0.01 3.43 0.00 -1.93 -1.20 119.26 121.70 1xqp h ALA 104 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xqp h ALA 104 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xqp h ALA 104 CO 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 1xqp h ARG 105 N 0.72 -0.02 -0.53 0.00 3.08 -1.00 -1.50 114.38 115.12 1xqp h ARG 105 Ca 0.13 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1xqp h ARG 105 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1xqp h ARG 105 CO 0.03 -0.01 0.31 0.87 -1.07 0.00 0.00 179.97 180.10 1xqp h LYS 106 N -0.02 0.59 -0.38 0.04 1.57 -0.99 -0.52 116.57 116.86 1xqp h LYS 106 Ca 0.01 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1xqp h LYS 106 Cb 0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1xqp h LYS 106 CO -0.02 0.39 0.12 -0.22 -0.57 0.00 0.00 179.45 179.15 1xqp h LYS 107 N 0.61 0.25 -0.27 3.15 3.64 -1.10 0.11 116.57 122.97 1xqp h LYS 107 Ca 0.22 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1xqp h LYS 107 Cb 0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1xqp h LYS 107 CO -0.11 0.17 0.17 -0.09 -2.27 0.00 0.00 179.45 177.32 1xqp h ARG 108 N 0.26 0.33 -0.92 1.90 2.43 -0.84 -2.73 114.38 114.81 1xqp h ARG 108 Ca 0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xqp h ARG 108 Cb 0.17 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1xqp h ARG 108 CO -0.20 0.22 0.59 0.00 -1.51 0.00 0.00 179.97 179.08 1xqp h ALA 109 N 1.11 1.17 -0.76 2.80 0.00 -0.66 -2.14 119.26 120.78 1xqp h ALA 109 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xqp h ALA 109 Cb -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 1xqp h ALA 109 CO -0.04 0.59 0.50 -0.07 0.00 0.00 0.00 179.25 180.23 1xqp h LEU 110 N 1.25 0.77 -1.14 0.00 3.38 -0.60 0.20 115.31 119.16 1xqp h LEU 110 Ca 0.33 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1xqp h LEU 110 Cb -0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1xqp h LEU 110 CO -0.07 0.52 0.35 0.11 0.09 0.00 0.00 178.44 179.43 1xqp h LYS 111 N 0.89 0.94 -0.01 1.13 1.57 -1.08 -3.21 116.57 116.80 1xqp h LYS 111 Ca 0.31 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xqp h LYS 111 Cb 0.13 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xqp h LYS 111 CO -0.10 0.71 -0.65 0.00 -0.57 0.00 0.00 179.45 178.84 1xqp n ALA 112 N -2.44 3.91 -0.20 3.86 0.00 -0.84 -4.70 120.51 120.10 1xqp n ALA 112 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1xqp n ALA 112 Cb 0.12 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 18.90 1xqp n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xqp n ASP 114 N -4.76 1.37 -4.70 0.00 8.00 -1.26 -4.65 116.55 110.55 1xqp n ASP 114 Ca 0.05 -1.16 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1xqp n ASP 114 Cb 0.20 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1xqp n ASP 114 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1xqp s TYR 115 N -2.37 3.48 -0.32 1.24 5.04 -0.49 -5.03 117.35 118.91 1xqp s TYR 115 Ca 0.26 1.48 -0.10 0.00 -2.44 0.00 0.00 57.07 56.28 1xqp s TYR 115 Cb 0.19 -3.27 -0.00 0.00 0.35 0.00 0.00 41.96 39.23 1xqp s TYR 115 CO 0.48 -0.64 0.15 0.08 -1.34 0.00 0.00 175.55 174.28 1xqp s VAL 116 N 1.43 4.55 0.51 3.14 1.01 -1.26 -4.96 120.40 124.82 1xqp s VAL 116 Ca 0.54 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1xqp s VAL 116 Cb -0.24 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1xqp s VAL 116 CO 0.25 0.03 1.16 -2.16 0.00 0.00 0.00 175.10 174.38 1xqp s PRO 117 N 1.60 3.49 -0.56 2.72 0.04 -1.26 -5.01 135.00 136.02 1xqp s PRO 117 Ca 0.04 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1xqp s PRO 117 Cb -0.17 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.26 1xqp s PRO 117 CO 0.06 -0.76 0.74 1.21 0.04 0.00 0.00 177.00 178.29 1xqp s ASN 118 N -1.56 6.22 0.52 6.66 3.84 -1.26 -4.93 114.94 124.43 1xqp s ASN 118 Ca 0.69 -0.99 0.31 0.00 0.21 0.00 0.00 52.86 53.09 1xqp s ASN 118 Cb -0.27 -2.33 1.12 0.00 -0.55 0.00 0.00 41.25 39.22 1xqp s ASN 118 CO 0.31 -1.08 1.89 -0.07 -2.79 0.00 0.00 177.10 175.37 1xqp h LEU 119 N 10.19 0.00 0.00 3.21 3.38 -1.96 -3.04 115.31 127.09 1xqp h LEU 119 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xqp h LEU 119 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xqp h LEU 119 CO 1.05 0.00 -0.74 -0.33 0.09 0.00 0.00 178.44 178.51 1xqp h GLU 120 N 0.00 0.00 -2.88 1.13 5.08 -2.00 -3.40 114.58 112.51 1xqp h GLU 120 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1xqp h GLU 120 Cb 0.63 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.47 1xqp h GLU 120 CO 0.00 0.00 -0.73 0.34 -1.00 0.00 0.00 179.01 177.62 1xqp s ASP 121 N -5.29 3.56 0.39 1.42 -1.08 -1.15 -4.98 116.67 109.54 1xqp s ASP 121 Ca 0.02 -3.27 0.18 0.00 -0.52 0.00 0.00 52.55 48.97 1xqp s ASP 121 Cb 0.09 -1.15 0.80 0.00 -1.46 0.00 0.00 42.92 41.21 1xqp s ASP 121 CO 0.75 -0.16 1.81 -0.07 0.52 0.00 0.00 175.17 178.01 1xqp h LEU 122 N 5.88 0.00 -0.35 -1.34 3.38 -1.79 -2.03 115.31 119.06 1xqp h LEU 122 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xqp h LEU 122 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1xqp h LEU 122 CO 0.56 0.35 0.17 1.23 0.09 0.00 0.00 178.44 180.84 1xqp h GLY 123 N 1.60 0.54 0.97 0.83 0.00 -1.93 -0.42 103.07 104.66 1xqp h GLY 123 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1xqp h GLY 123 CO 0.05 0.25 0.30 -2.00 0.00 0.00 0.00 176.54 175.13 1xqp h LEU 124 N 0.43 0.50 -0.98 3.11 5.85 -1.89 -2.68 115.31 119.65 1xqp h LEU 124 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xqp h LEU 124 Cb 0.11 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1xqp h LEU 124 CO -0.02 0.36 0.59 0.74 -0.34 0.00 0.00 178.44 179.77 1xqp h THR 125 N 0.60 1.26 -0.54 1.05 2.02 -1.19 -1.45 112.91 114.65 1xqp h THR 125 Ca 0.17 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1xqp h THR 125 Cb -0.05 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.24 1xqp h THR 125 CO -0.05 0.27 0.16 0.25 0.37 0.00 0.00 175.52 176.52 1xqp h LEU 126 N 1.31 0.80 -0.32 2.58 5.85 -0.85 0.77 115.31 125.44 1xqp h LEU 126 Ca 0.34 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xqp h LEU 126 Cb -0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1xqp h LEU 126 CO -0.07 0.80 0.19 0.03 -0.34 0.00 0.00 178.44 179.05 1xqp h ARG 127 N 0.76 0.43 -0.35 1.25 3.08 -1.13 -1.16 114.38 117.26 1xqp h ARG 127 Ca 0.17 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xqp h ARG 127 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1xqp h ARG 127 CO -0.00 0.34 0.22 1.96 -1.07 0.00 0.00 179.97 181.41 1xqp h GLN 128 N 0.41 0.44 -0.71 0.04 4.20 -1.00 -2.88 115.11 115.61 1xqp h GLN 128 Ca 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1xqp h GLN 128 Cb 0.02 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1xqp h GLN 128 CO -0.02 0.29 0.37 -0.07 -0.67 0.00 0.00 178.83 178.73 1xqp h LEU 129 N 0.45 0.90 -0.86 1.46 3.38 -0.69 -1.25 115.31 118.71 1xqp h LEU 129 Ca 0.13 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1xqp h LEU 129 Cb -0.03 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.40 1xqp h LEU 129 CO -0.05 0.75 0.45 -1.28 0.09 0.00 0.00 178.44 178.41 1xqp h SER 130 N 0.98 0.55 -0.12 -0.43 0.87 -1.06 -0.61 113.55 113.72 1xqp h SER 130 Ca 0.25 0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.73 1xqp h SER 130 Cb 0.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1xqp h SER 130 CO -0.04 0.23 -0.59 0.45 -0.53 0.00 0.00 176.83 176.36 1xqp h HIS 131 N 0.64 0.82 -0.10 2.24 3.86 -1.19 -0.86 115.15 120.55 1xqp h HIS 131 Ca 0.47 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1xqp h HIS 131 Cb 0.66 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1xqp h HIS 131 CO -0.09 1.16 -0.00 0.82 0.86 0.00 0.00 177.93 180.68 1xqp h ILE 132 N 0.25 1.26 0.01 2.45 2.04 -0.77 -3.19 117.51 119.56 1xqp h ILE 132 Ca -0.04 -0.82 -0.21 0.00 1.00 0.00 0.00 64.86 64.79 1xqp h ILE 132 Cb 1.23 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1xqp h ILE 132 CO 0.12 0.23 -0.97 0.58 0.00 0.00 0.00 178.15 178.11 1xqp h VAL 133 N -0.10 1.65 -3.16 1.67 2.07 -1.27 -3.46 116.25 113.65 1xqp h VAL 133 Ca 0.03 -3.20 -0.01 0.00 0.82 0.00 0.00 66.70 64.34 1xqp h VAL 133 Cb 0.36 2.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1xqp h VAL 133 CO 0.01 0.92 -0.04 0.61 0.02 0.00 0.00 177.57 179.08 1xqp n GLY 134 N 1.21 0.54 3.27 2.17 0.00 -0.39 -5.08 105.19 106.92 1xqp n GLY 134 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1xqp n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqp s ALA 135 N -3.02 -0.75 0.43 4.61 0.00 -0.81 -5.05 121.76 117.18 1xqp s ALA 135 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 1xqp s ALA 135 Cb -0.00 0.42 -0.08 0.00 0.00 0.00 0.00 23.12 23.45 1xqp s ALA 135 CO 0.05 -0.48 1.36 1.03 0.00 0.00 0.00 175.76 177.72 1xqp s ARG 136 N -2.94 3.81 0.57 0.00 0.52 -1.26 -4.61 118.95 115.05 1xqp s ARG 136 Ca -0.02 2.27 0.26 0.00 -0.52 0.00 0.00 55.73 57.72 1xqp s ARG 136 Cb 0.00 -2.69 1.67 0.00 0.52 0.00 0.00 34.95 34.45 1xqp s ARG 136 CO -0.06 -0.66 2.22 0.07 0.02 0.00 0.00 175.30 176.90 1xqp h ARG 137 N 2.47 0.00 -0.00 3.54 0.11 -1.93 -1.39 114.38 117.17 1xqp h ARG 137 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1xqp h ARG 137 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1xqp h ARG 137 CO 0.62 0.00 -0.06 0.39 0.10 0.00 0.00 179.97 181.02 1xqp n GLU 138 N -4.04 0.72 -1.98 0.08 4.71 -1.26 -4.31 120.64 114.55 1xqp n GLU 138 Ca -0.03 -0.16 -0.39 0.00 -0.01 0.00 0.00 57.16 56.56 1xqp n GLU 138 Cb 0.09 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.03 1xqp n GLU 138 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1xqp s GLN 139 N -2.39 3.79 0.25 3.49 -0.44 -0.53 -4.80 119.66 119.03 1xqp s GLN 139 Ca 0.33 2.19 -0.03 0.00 -2.50 0.00 0.00 55.36 55.35 1xqp s GLN 139 Cb 0.20 -2.64 0.43 0.00 -1.64 0.00 0.00 33.01 29.36 1xqp s GLN 139 CO 0.45 -0.65 1.82 1.57 0.50 0.00 0.00 175.29 178.98 1xqp h LYS 140 N 2.40 0.85 -0.09 1.67 2.10 -1.90 -1.90 116.57 119.70 1xqp h LYS 140 Ca -0.50 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 57.94 1xqp h LYS 140 Cb 1.26 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1xqp h LYS 140 CO 0.61 0.56 -0.63 1.79 -2.00 0.00 0.00 179.45 179.79 1xqp h THR 141 N 0.88 1.38 0.39 0.07 1.35 -1.93 -1.88 112.91 113.17 1xqp h THR 141 Ca 0.42 -2.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1xqp h THR 141 Cb 0.37 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1xqp h THR 141 CO -0.24 0.60 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.37 1xqp h LEU 142 N 0.24 -0.44 -1.02 3.87 3.38 -1.68 -2.05 115.31 117.61 1xqp h LEU 142 Ca -0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1xqp h LEU 142 Cb 1.16 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1xqp h LEU 142 CO 0.10 -0.18 0.10 -0.37 0.09 0.00 0.00 178.44 178.19 1xqp h VAL 143 N -0.70 1.23 -0.87 1.22 -1.51 -1.48 -2.57 116.25 111.56 1xqp h VAL 143 Ca -0.05 -0.84 0.01 0.00 -1.23 0.00 0.00 66.70 64.58 1xqp h VAL 143 Cb 0.50 0.72 -0.04 0.00 -2.13 0.00 0.00 31.29 30.33 1xqp h VAL 143 CO 0.09 0.31 0.57 0.15 -1.23 0.00 0.00 177.57 177.45 1xqp h PHE 144 N 0.78 1.11 -0.97 5.19 3.57 -1.38 -2.38 116.94 122.85 1xqp h PHE 144 Ca 0.17 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1xqp h PHE 144 Cb 0.32 -0.37 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 1xqp h PHE 144 CO 0.02 0.71 0.64 1.15 -2.23 0.00 0.00 178.31 178.60 1xqp h THR 145 N 1.19 1.16 -0.48 4.41 2.02 -1.00 -0.62 112.91 119.58 1xqp h THR 145 Ca 0.32 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1xqp h THR 145 Cb -0.11 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.11 1xqp h THR 145 CO -0.07 0.22 0.27 0.40 0.37 0.00 0.00 175.52 176.71 1xqp h ILE 146 N 1.22 1.17 -0.31 3.11 1.08 -1.06 -0.28 117.51 122.43 1xqp h ILE 146 Ca 0.39 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1xqp h ILE 146 Cb 0.03 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 1xqp h ILE 146 CO -0.13 0.18 0.13 0.50 -0.69 0.00 0.00 178.15 178.14 1xqp h LYS 147 N 0.64 0.27 -0.52 2.37 3.64 -0.93 -1.19 116.57 120.84 1xqp h LYS 147 Ca 0.17 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1xqp h LYS 147 Cb 0.05 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1xqp h LYS 147 CO -0.03 0.18 0.29 0.82 -2.27 0.00 0.00 179.45 178.44 1xqp h ILE 148 N 0.27 1.01 -0.85 2.00 1.08 -0.82 -1.57 117.51 118.63 1xqp h ILE 148 Ca 0.14 -0.20 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 1xqp h ILE 148 Cb 0.09 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.16 1xqp h ILE 148 CO -0.12 0.10 0.55 -0.07 -0.69 0.00 0.00 178.15 177.92 1xqp h LEU 149 N 0.57 0.75 -0.51 1.44 3.38 -0.73 -1.85 115.31 118.35 1xqp h LEU 149 Ca 0.22 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1xqp h LEU 149 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xqp h LEU 149 CO -0.12 0.45 0.12 -1.13 0.09 0.00 0.00 178.44 177.84 1xqp h ASN 150 N 0.83 0.79 -0.51 -0.43 -1.24 -0.30 -1.16 115.58 113.55 1xqp h ASN 150 Ca 0.39 -0.24 0.08 0.00 0.71 0.00 0.00 56.30 57.24 1xqp h ASN 150 Cb 0.41 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.19 1xqp h ASN 150 CO -0.16 0.82 0.16 1.88 -1.29 0.00 0.00 177.43 178.84 1xqp h TYR 151 N 0.72 0.27 -0.38 0.67 -1.99 -0.78 0.15 116.97 115.63 1xqp h TYR 151 Ca 0.16 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.88 1xqp h TYR 151 Cb 0.35 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1xqp h TYR 151 CO 0.02 0.06 0.10 0.00 -0.00 0.00 0.00 178.16 178.34 1xqp h ALA 152 N 1.37 0.50 0.09 3.88 0.00 -0.97 -1.50 119.26 122.62 1xqp h ALA 152 Ca 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xqp h ALA 152 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xqp h ALA 152 CO -0.29 0.16 -0.04 -0.92 0.00 0.00 0.00 179.25 178.16 1xqp h TYR 153 N 0.46 -0.11 -0.42 0.00 3.20 -0.96 -1.62 116.97 117.52 1xqp h TYR 153 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1xqp h TYR 153 Cb 0.29 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1xqp h TYR 153 CO 0.01 -0.03 0.27 0.52 -1.64 0.00 0.00 178.16 177.30 1xqp h MET 154 N -0.17 0.54 0.14 1.82 2.86 -0.82 -1.39 114.93 117.91 1xqp h MET 154 Ca -0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xqp h MET 154 Cb 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1xqp h MET 154 CO 0.02 0.36 -0.29 0.00 1.06 0.00 0.00 176.91 178.06 1xqp h SER 156 N -0.52 0.07 0.66 0.00 0.87 -1.15 -3.11 113.55 110.38 1xqp h SER 156 Ca 0.03 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1xqp h SER 156 Cb 0.54 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1xqp h SER 156 CO -0.16 0.07 -0.96 0.54 -0.53 0.00 0.00 176.83 175.80 1xqp n ARG 157 N -5.05 0.38 -3.06 2.24 5.12 -0.54 -4.98 116.66 110.77 1xqp n ARG 157 Ca -0.00 0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 1xqp n ARG 157 Cb 0.12 -1.67 0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1xqp n ARG 157 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqp n GLY 158 N 1.31 -0.06 3.18 -0.13 0.00 0.59 -5.05 105.19 105.03 1xqp n GLY 158 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1xqp n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xqp s VAL 159 N -3.22 0.80 0.17 1.61 -7.23 -1.06 -5.07 120.40 106.39 1xqp s VAL 159 Ca 0.17 -1.89 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 1xqp s VAL 159 Cb -0.07 -1.63 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 1xqp s VAL 159 CO 0.48 -0.80 0.58 0.20 -0.31 0.00 0.00 175.10 175.25 1xqp s ASN 160 N -2.94 6.83 -0.10 4.85 0.01 -1.26 -4.53 114.94 117.81 1xqp s ASN 160 Ca 0.11 1.12 -0.04 0.00 -0.71 0.00 0.00 52.86 53.34 1xqp s ASN 160 Cb 0.03 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.44 1xqp s ASN 160 CO -0.03 0.06 0.20 -0.60 -1.51 0.00 0.00 177.10 175.22 1xqp s ARG 161 N -2.08 0.10 -0.15 -0.60 3.52 -1.26 -5.07 118.95 113.40 1xqp s ARG 161 Ca 0.40 0.59 -0.26 0.00 -0.13 0.00 0.00 55.73 56.33 1xqp s ARG 161 Cb -0.15 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.06 1xqp s ARG 161 CO 0.19 -0.27 0.86 0.08 -0.81 0.00 0.00 175.30 175.36 1xqp s VAL 162 N 2.06 4.87 0.79 7.11 1.01 -1.26 -5.04 120.40 129.94 1xqp s VAL 162 Ca -0.01 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 1xqp s VAL 162 Cb -0.12 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1xqp s VAL 162 CO -0.07 0.04 1.09 -0.76 0.00 0.00 0.00 175.10 175.40 1xqp s LEU 163 N 2.02 2.98 0.55 3.92 1.43 -1.26 -5.01 118.68 123.31 1xqp s LEU 163 Ca 0.40 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 1xqp s LEU 163 Cb -0.17 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.51 1xqp s LEU 163 CO 0.14 -2.13 1.09 -2.16 0.23 0.00 0.00 176.35 173.52 1xqp s PRO 164 N -4.89 3.42 0.50 1.29 0.04 -1.26 -4.80 135.00 129.29 1xqp s PRO 164 Ca 0.62 1.43 0.24 0.00 0.04 0.00 0.00 61.00 63.33 1xqp s PRO 164 Cb -0.17 -2.03 1.33 0.00 0.04 0.00 0.00 34.50 33.67 1xqp s PRO 164 CO 0.56 -0.76 2.05 0.74 0.04 0.00 0.00 177.00 179.63 1xqp h PHE 165 N 1.03 0.00 -0.26 0.56 0.04 -1.97 -3.22 116.94 113.11 1xqp h PHE 165 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1xqp h PHE 165 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1xqp h PHE 165 CO 0.55 0.14 0.00 -0.40 -0.60 0.00 0.00 178.31 177.99 1xqp n ASP 166 N -3.83 1.62 -4.38 2.17 5.75 -1.26 -4.64 116.55 111.97 1xqp n ASP 166 Ca -0.02 -1.90 -0.38 0.00 -0.01 0.00 0.00 54.79 52.48 1xqp n ASP 166 Cb 0.24 -0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.03 1xqp n ASP 166 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xqp s ILE 167 N -1.65 4.27 0.85 2.12 1.01 -1.22 -5.11 121.20 121.47 1xqp s ILE 167 Ca 0.24 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1xqp s ILE 167 Cb 0.13 -3.22 0.12 0.00 0.01 0.00 0.00 42.46 39.50 1xqp s ILE 167 CO 0.18 0.03 1.21 -2.16 0.00 0.00 0.00 174.94 174.20 1xqp s PRO 168 N 1.55 1.51 0.35 2.79 0.04 -1.26 -4.21 135.00 135.76 1xqp s PRO 168 Ca 0.03 -0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.67 1xqp s PRO 168 Cb -0.17 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1xqp s PRO 168 CO 0.04 -1.85 1.11 -1.50 0.04 0.00 0.00 177.00 174.84 1xqp s ILE 169 N -3.65 3.46 -0.39 0.56 2.07 -1.26 -4.65 121.20 117.33 1xqp s ILE 169 Ca 0.66 1.29 -0.29 0.00 -1.41 0.00 0.00 60.65 60.90 1xqp s ILE 169 Cb -0.08 -3.75 0.02 0.00 0.13 0.00 0.00 42.46 38.78 1xqp s ILE 169 CO 0.50 0.17 1.11 -2.16 -1.91 0.00 0.00 174.94 172.66 1xqp s PRO 170 N -2.01 3.90 -1.27 3.50 0.05 -1.26 -4.87 135.00 133.04 1xqp s PRO 170 Ca 0.52 0.84 -0.12 0.00 0.05 0.00 0.00 61.00 62.30 1xqp s PRO 170 Cb -0.29 -3.82 0.15 0.00 0.05 0.00 0.00 34.50 30.60 1xqp s PRO 170 CO 0.36 -1.14 1.74 0.28 0.05 0.00 0.00 177.00 178.29 1xqp n VAL 171 N 6.34 4.23 -2.09 -0.36 0.31 -1.26 -4.77 118.33 120.72 1xqp n VAL 171 Ca 0.12 -4.40 -0.26 0.00 -0.01 0.00 0.00 64.34 59.79 1xqp n VAL 171 Cb 0.48 -2.41 0.17 0.00 -0.91 0.00 0.00 33.84 31.16 1xqp n VAL 171 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xqp n ASP 172 N 4.93 0.47 0.13 4.52 5.75 -1.26 -4.81 116.55 126.28 1xqp n ASP 172 Ca 0.40 -1.65 0.02 0.00 -0.01 0.00 0.00 54.79 53.55 1xqp n ASP 172 Cb 0.39 -0.85 0.35 0.00 -1.03 0.00 0.00 41.12 39.99 1xqp n ASP 172 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1xqp h TYR 173 N -1.37 0.20 0.04 2.11 3.20 -1.95 -0.62 116.97 118.59 1xqp h TYR 173 Ca -0.37 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.46 1xqp h TYR 173 Cb 1.13 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1xqp h TYR 173 CO 0.00 0.42 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.83 1xqp h ARG 174 N 0.17 -0.06 -0.56 1.82 2.43 -1.96 -2.15 114.38 114.06 1xqp h ARG 174 Ca 0.03 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1xqp h ARG 174 Cb 0.52 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1xqp h ARG 174 CO 0.04 0.29 0.31 0.28 -1.51 0.00 0.00 179.97 179.37 1xqp h VAL 175 N -0.41 1.00 -0.07 0.20 2.07 -1.79 -1.52 116.25 115.73 1xqp h VAL 175 Ca -0.01 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1xqp h VAL 175 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1xqp h VAL 175 CO 0.01 0.11 -0.00 0.00 0.02 0.00 0.00 177.57 177.71 1xqp h ALA 176 N 1.28 0.06 -0.73 1.67 0.00 -1.16 -1.17 119.26 119.22 1xqp h ALA 176 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1xqp h ALA 176 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xqp h ALA 176 CO -0.14 -0.47 0.45 0.00 0.00 0.00 0.00 179.25 179.09 1xqp h ARG 177 N 0.02 0.84 -0.35 0.00 3.08 -1.25 -2.09 114.38 114.63 1xqp h ARG 177 Ca 0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1xqp h ARG 177 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1xqp h ARG 177 CO -0.06 0.55 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.06 1xqp h LEU 178 N 0.86 0.73 -0.72 3.04 3.38 -1.02 0.27 115.31 121.86 1xqp h LEU 178 Ca 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1xqp h LEU 178 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xqp h LEU 178 CO -0.13 0.96 0.33 0.74 0.09 0.00 0.00 178.44 180.44 1xqp h THR 179 N 0.62 1.24 -0.21 0.22 2.02 -1.03 -0.50 112.91 115.27 1xqp h THR 179 Ca 0.08 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1xqp h THR 179 Cb 0.77 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1xqp h THR 179 CO 0.06 0.29 -0.07 -0.25 0.37 0.00 0.00 175.52 175.92 1xqp h TRP 180 N 1.01 0.48 -0.71 3.16 7.01 -1.03 -2.11 115.95 123.76 1xqp h TRP 180 Ca 0.25 -0.11 0.03 0.00 2.11 0.00 0.00 58.89 61.17 1xqp h TRP 180 Cb 0.14 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 1xqp h TRP 180 CO 0.01 0.68 0.47 0.00 -2.79 0.00 0.00 178.44 176.80 1xqp n ALA 182 N -2.44 2.37 -1.09 0.00 0.00 -0.22 -1.96 120.51 117.17 1xqp n ALA 182 Ca 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1xqp n ALA 182 Cb 0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 1xqp n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqp n GLY 183 N 0.84 0.63 0.15 0.00 0.00 -0.56 -4.88 105.19 101.36 1xqp n GLY 183 Ca 0.15 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1xqp n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xqp h LEU 184 N 0.00 0.00 -8.03 0.99 3.38 -1.59 -3.36 115.31 106.70 1xqp h LEU 184 Ca -0.07 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 1xqp h LEU 184 Cb 0.24 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.75 1xqp h LEU 184 CO 0.10 0.00 -0.74 0.27 0.09 0.00 0.00 178.44 178.16 1xqp s ILE 185 N -3.14 0.46 -1.13 1.22 -4.36 -1.25 -4.94 121.20 108.06 1xqp s ILE 185 Ca 0.09 -0.66 0.22 0.00 -0.26 0.00 0.00 60.65 60.04 1xqp s ILE 185 Cb 0.10 -0.47 -0.17 0.00 1.25 0.00 0.00 42.46 43.17 1xqp s ILE 185 CO 0.63 -0.15 0.99 0.47 0.24 0.00 0.00 174.94 177.12 1xqp n ASP 186 N 2.19 1.06 -4.93 4.36 9.92 -1.26 -4.78 116.55 123.11 1xqp n ASP 186 Ca -0.18 -0.97 -0.27 0.00 -0.53 0.00 0.00 54.79 52.84 1xqp n ASP 186 Cb 0.56 0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 41.86 1xqp n ASP 186 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1xqp s PHE 187 N -2.93 3.48 0.73 1.24 -0.12 -1.26 -5.09 117.98 114.02 1xqp s PHE 187 Ca 0.10 0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 57.17 1xqp s PHE 187 Cb 0.16 -1.85 0.04 0.00 -0.63 0.00 0.00 43.02 40.74 1xqp s PHE 187 CO 0.81 0.36 1.16 -2.14 -0.05 0.00 0.00 175.22 175.37 1xqp s PRO 188 N -3.41 2.27 0.52 1.99 0.02 -1.26 -4.80 135.00 130.33 1xqp s PRO 188 Ca 0.38 1.57 0.19 0.00 0.02 0.00 0.00 61.00 63.16 1xqp s PRO 188 Cb -0.11 -1.87 1.34 0.00 0.02 0.00 0.00 34.50 33.89 1xqp s PRO 188 CO 0.29 -1.70 2.14 -1.35 -0.33 0.00 0.00 177.00 176.06 1xqp h PRO 189 N -0.39 0.00 -0.40 5.54 0.11 -1.96 -1.25 132.00 133.65 1xqp h PRO 189 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1xqp h PRO 189 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1xqp h PRO 189 CO 0.51 0.03 -0.20 0.93 -0.21 0.00 0.00 178.00 179.06 1xqp h GLU 190 N 0.00 0.78 -0.30 1.05 3.07 -1.94 -2.35 114.58 114.90 1xqp h GLU 190 Ca -0.00 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.46 1xqp h GLU 190 Cb 0.06 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1xqp h GLU 190 CO 0.00 0.92 -0.20 1.49 -1.40 0.00 0.00 179.01 179.82 1xqp h GLU 191 N 0.69 0.66 -0.88 2.33 4.81 -1.70 -3.19 114.58 117.30 1xqp h GLU 191 Ca 0.10 -0.32 0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1xqp h GLU 191 Cb 0.71 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1xqp h GLU 191 CO 0.05 0.91 0.58 0.00 -0.73 0.00 0.00 179.01 179.83 1xqp h ALA 192 N 0.73 2.06 -0.99 2.92 0.00 -0.92 -0.10 119.26 122.96 1xqp h ALA 192 Ca 0.06 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1xqp h ALA 192 Cb 0.75 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1xqp h ALA 192 CO 0.06 -0.33 0.64 -0.07 0.00 0.00 0.00 179.25 179.54 1xqp h LEU 193 N 0.51 1.00 0.06 0.00 3.38 -1.41 -2.24 115.31 116.60 1xqp h LEU 193 Ca 0.46 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.28 1xqp h LEU 193 Cb 0.99 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.56 1xqp h LEU 193 CO -0.19 0.62 -0.68 0.03 0.09 0.00 0.00 178.44 178.32 1xqp h ARG 194 N 1.12 0.35 -1.85 1.13 3.08 -1.27 -3.30 114.38 113.66 1xqp h ARG 194 Ca 0.43 -0.46 -0.29 0.00 0.07 0.00 0.00 59.98 59.73 1xqp h ARG 194 Cb 0.22 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 1xqp h ARG 194 CO -0.18 1.16 0.17 0.54 -1.07 0.00 0.00 179.97 180.58 1xqp n ARG 195 N -4.19 1.88 0.17 0.04 1.74 -0.20 -4.70 116.66 111.40 1xqp n ARG 195 Ca -0.12 -1.40 0.06 0.00 -0.77 0.00 0.00 57.85 55.63 1xqp n ARG 195 Cb 0.73 -1.74 0.56 0.00 -1.02 0.00 0.00 32.46 30.98 1xqp n ARG 195 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1xqp h TYR 196 N 2.16 0.18 -0.32 -1.55 -0.00 -1.49 -2.03 116.97 113.92 1xqp h TYR 196 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.95 1xqp h TYR 196 Cb 1.00 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.65 1xqp h TYR 196 CO 1.11 0.13 0.05 0.93 -0.00 0.00 0.00 178.16 180.37 1xqp h GLU 197 N 0.19 0.47 -0.46 0.10 5.08 -1.87 0.41 114.58 118.50 1xqp h GLU 197 Ca 0.05 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1xqp h GLU 197 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xqp h GLU 197 CO -0.01 0.46 -0.21 0.00 -1.00 0.00 0.00 179.01 178.24 1xqp h ALA 198 N 1.60 0.65 -0.38 3.43 0.00 -1.74 -0.61 119.26 122.21 1xqp h ALA 198 Ca 0.11 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1xqp h ALA 198 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xqp h ALA 198 CO 0.00 0.64 -0.16 0.28 0.00 0.00 0.00 179.25 180.01 1xqp h VAL 199 N 0.81 1.28 -0.84 0.00 2.07 -1.42 -2.77 116.25 115.38 1xqp h VAL 199 Ca 0.10 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.41 1xqp h VAL 199 Cb 0.79 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1xqp h VAL 199 CO 0.07 0.42 0.55 1.56 0.02 0.00 0.00 177.57 180.19 1xqp h GLN 200 N 0.58 0.89 -0.83 1.57 4.20 -0.67 -2.37 115.11 118.48 1xqp h GLN 200 Ca 0.09 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1xqp h GLN 200 Cb 0.70 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1xqp h GLN 200 CO 0.05 0.59 0.38 -0.22 -0.67 0.00 0.00 178.83 178.96 1xqp h LYS 201 N 0.92 1.21 0.05 1.46 3.64 -0.87 -0.34 116.57 122.63 1xqp h LYS 201 Ca 0.37 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xqp h LYS 201 Cb 0.24 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xqp h LYS 201 CO -0.13 0.95 -0.02 0.82 -2.27 0.00 0.00 179.45 178.79 1xqp h ILE 202 N 1.19 0.99 0.00 2.00 2.04 -1.17 -2.45 117.51 120.11 1xqp h ILE 202 Ca 0.28 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 1xqp h ILE 202 Cb 0.15 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1xqp h ILE 202 CO -0.03 0.03 -0.38 -0.50 0.00 0.00 0.00 178.15 177.27 1xqp h TRP 203 N -0.12 0.00 -0.36 1.37 4.06 -1.29 -1.90 115.95 117.71 1xqp h TRP 203 Ca -0.01 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.95 1xqp h TRP 203 Cb 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1xqp h TRP 203 CO -0.06 0.38 0.24 -0.44 -3.56 0.00 0.00 178.44 174.99 1xqp h ASP 204 N 0.00 0.40 -0.33 -3.49 3.32 -0.97 0.14 116.42 115.50 1xqp h ASP 204 Ca -0.00 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.09 1xqp h ASP 204 Cb 0.77 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1xqp h ASP 204 CO 0.05 0.29 0.03 0.00 -1.72 0.00 0.00 179.24 177.89 1xqp h ALA 205 N 1.14 0.32 -0.45 3.45 0.00 -1.08 -1.02 119.26 121.62 1xqp h ALA 205 Ca 0.14 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xqp h ALA 205 Cb -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xqp h ALA 205 CO -0.04 -0.38 0.27 0.28 0.00 0.00 0.00 179.25 179.38 1xqp h VAL 206 N 0.13 1.05 -0.13 0.00 2.07 -1.20 -2.59 116.25 115.58 1xqp h VAL 206 Ca 0.16 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xqp h VAL 206 Cb 0.19 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1xqp h VAL 206 CO -0.24 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.44 1xqp h ALA 207 N 1.20 0.10 -0.79 1.67 0.00 -0.68 -1.65 119.26 119.11 1xqp h ALA 207 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1xqp h ALA 207 Cb 0.01 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1xqp h ALA 207 CO -0.08 -0.46 0.48 0.00 0.00 0.00 0.00 179.25 179.19 1xqp h ARG 208 N 0.03 0.85 0.00 0.00 3.08 -1.08 -0.47 114.38 116.80 1xqp h ARG 208 Ca 0.06 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1xqp h ARG 208 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1xqp h ARG 208 CO -0.11 0.57 -0.34 0.93 -1.07 0.00 0.00 179.97 179.94 1xqp h GLU 209 N 0.88 0.00 0.00 0.04 4.39 -1.27 -3.32 114.58 115.30 1xqp h GLU 209 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1xqp h GLU 209 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xqp h GLU 209 CO -0.17 0.15 -1.76 0.25 -1.16 0.00 0.00 179.01 176.32 1xqp n THR 210 N -3.07 0.00 -1.04 1.13 -2.24 -0.64 -4.98 114.28 103.44 1xqp n THR 210 Ca 0.02 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 1xqp n THR 210 Cb 0.60 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1xqp n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqp n GLY 211 N 1.42 0.46 3.24 3.38 0.00 -0.20 -4.85 105.19 108.65 1xqp n GLY 211 Ca -0.03 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1xqp n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqp s ILE 212 N -1.84 3.88 0.71 -0.61 1.01 -1.20 -4.77 121.20 118.39 1xqp s ILE 212 Ca 0.00 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 1xqp s ILE 212 Cb 0.00 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1xqp s ILE 212 CO 0.00 -0.42 0.94 -2.65 0.00 0.00 0.00 174.94 172.81 1xqp n PRO 213 N 4.82 0.54 -0.34 2.79 -0.02 -1.26 -4.25 135.00 137.27 1xqp n PRO 213 Ca -0.10 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1xqp n PRO 213 Cb 0.43 -2.20 0.31 0.00 -0.02 0.00 0.00 33.50 32.03 1xqp n PRO 213 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xqp h PRO 214 N -0.18 0.78 0.00 0.52 0.11 -1.82 -0.24 132.00 131.17 1xqp h PRO 214 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xqp h PRO 214 Cb 1.34 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xqp h PRO 214 CO 0.47 0.52 0.00 -0.07 -0.21 0.00 0.00 178.00 178.71 1xqp h LEU 215 N 0.81 0.00 0.15 2.35 3.38 -1.83 -0.98 115.31 119.19 1xqp h LEU 215 Ca 0.54 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.18 1xqp h LEU 215 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xqp h LEU 215 CO -0.31 0.00 -1.60 0.45 0.09 0.00 0.00 178.44 177.07 1xqp h HIS 216 N 0.00 0.58 -0.98 1.13 3.86 -1.43 -3.31 115.15 115.00 1xqp h HIS 216 Ca 0.00 -0.42 0.12 0.00 -1.16 0.00 0.00 60.37 58.91 1xqp h HIS 216 Cb 0.62 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.98 1xqp h HIS 216 CO 0.00 1.49 0.62 -0.07 0.86 0.00 0.00 177.93 180.83 1xqp h LEU 217 N 0.09 0.89 -0.88 2.43 3.38 -0.99 -1.90 115.31 118.33 1xqp h LEU 217 Ca -0.28 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.86 1xqp h LEU 217 Cb 2.06 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.59 1xqp h LEU 217 CO 0.18 0.47 0.50 -0.78 0.09 0.00 0.00 178.44 178.89 1xqp h ASP 218 N 0.95 0.68 -0.69 -0.43 3.58 -1.27 -1.27 116.42 117.97 1xqp h ASP 218 Ca 0.49 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.99 1xqp h ASP 218 Cb 0.52 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1xqp h ASP 218 CO -0.25 0.35 0.39 0.74 -2.88 0.00 0.00 179.24 177.59 1xqp h THR 219 N 0.78 1.21 -0.61 2.25 2.02 -1.45 -1.37 112.91 115.74 1xqp h THR 219 Ca 0.45 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1xqp h THR 219 Cb 0.51 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1xqp h THR 219 CO -0.29 0.23 0.36 -0.07 0.37 0.00 0.00 175.52 176.11 1xqp h LEU 220 N 0.95 0.74 -0.46 2.58 3.38 -1.15 -1.09 115.31 120.27 1xqp h LEU 220 Ca 0.25 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1xqp h LEU 220 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1xqp h LEU 220 CO -0.04 0.59 0.02 -0.07 0.09 0.00 0.00 178.44 179.04 1xqp h LEU 221 N 0.83 0.77 -0.55 1.67 4.07 -1.09 -0.30 115.31 120.72 1xqp h LEU 221 Ca 0.22 -0.29 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 1xqp h LEU 221 Cb -0.00 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1xqp h LEU 221 CO -0.04 0.88 0.09 -0.50 -1.08 0.00 0.00 178.44 177.79 1xqp h TRP 222 N 0.65 0.97 -0.33 1.13 4.06 -1.09 0.30 115.95 121.64 1xqp h TRP 222 Ca 0.13 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1xqp h TRP 222 Cb 0.47 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1xqp h TRP 222 CO 0.04 0.86 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.60 1xqp h LEU 223 N 0.80 0.66 -0.70 -4.49 3.38 -1.13 -2.47 115.31 111.36 1xqp h LEU 223 Ca 0.17 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1xqp h LEU 223 Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1xqp h LEU 223 CO 0.01 0.89 0.33 0.00 0.09 0.00 0.00 178.44 179.75 1xqp h ALA 224 N 0.80 0.91 -0.58 1.53 0.00 -0.88 -2.94 119.26 118.10 1xqp h ALA 224 Ca 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xqp h ALA 224 Cb 0.61 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xqp h ALA 224 CO 0.04 0.48 0.38 0.78 0.00 0.00 0.00 179.25 180.93 1xqp h GLY 225 N 0.99 0.80 0.80 0.00 0.00 -0.26 -0.39 103.07 105.02 1xqp h GLY 225 Ca 0.24 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1xqp h GLY 225 CO -0.03 0.28 0.64 -0.09 0.00 0.00 0.00 176.54 177.34 1xqp h ARG 226 N 0.76 1.16 0.08 4.80 9.65 -1.25 -0.92 114.38 128.66 1xqp h ARG 226 Ca 0.22 -0.07 -0.12 0.00 -1.10 0.00 0.00 59.98 58.90 1xqp h ARG 226 Cb -0.06 -0.26 0.01 0.00 -1.39 0.00 0.00 29.97 28.28 1xqp h ARG 226 CO -0.05 0.77 -0.53 0.00 2.80 0.00 0.00 179.97 182.96 1xqp h ALA 227 N 1.43 -0.04 -0.03 2.80 0.00 -0.95 -2.44 119.26 120.03 1xqp h ALA 227 Ca 0.41 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xqp h ALA 227 Cb 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xqp h ALA 227 CO -0.15 0.25 -0.04 0.28 0.00 0.00 0.00 179.25 179.59 1xqp h VAL 228 N -0.50 1.40 -0.01 0.00 2.07 -1.00 -1.69 116.25 116.52 1xqp h VAL 228 Ca -0.09 -1.24 -0.15 0.00 0.82 0.00 0.00 66.70 66.04 1xqp h VAL 228 Cb 1.38 2.17 0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1xqp h VAL 228 CO 0.10 0.33 -0.59 -0.07 0.02 0.00 0.00 177.57 177.36 1xqp h LEU 229 N -0.41 0.53 0.00 2.57 3.38 -1.35 -1.61 115.31 118.42 1xqp h LEU 229 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1xqp h LEU 229 Cb 0.56 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xqp h LEU 229 CO 0.01 1.22 -0.76 -1.22 0.09 0.00 0.00 178.44 177.78 1xqp n TYR 230 N -4.22 0.00 -2.14 1.13 4.01 -1.09 -4.37 117.16 110.48 1xqp n TYR 230 Ca -0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 1xqp n TYR 230 Cb 0.67 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.62 1xqp n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xqp n GLY 231 N 1.42 0.03 3.43 2.72 0.00 -0.64 -4.90 105.19 107.26 1xqp n GLY 231 Ca 0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1xqp n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xqp s GLU 232 N -4.40 1.56 -1.12 1.61 2.02 -0.94 -4.79 118.70 112.64 1xqp s GLU 232 Ca 0.00 -1.59 -0.23 0.00 0.02 0.00 0.00 54.97 53.18 1xqp s GLU 232 Cb 0.00 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.42 1xqp s GLU 232 CO 0.00 0.38 0.74 0.09 0.02 0.00 0.00 175.26 176.49 1xqp n ASN 233 N 0.05 -5.03 0.12 -0.19 5.03 -1.26 -2.34 115.26 111.63 1xqp n ASN 233 Ca -0.11 -1.07 0.11 0.00 0.87 0.00 0.00 54.58 54.39 1xqp n ASN 233 Cb 0.57 -2.77 0.47 0.00 -1.02 0.00 0.00 39.78 37.04 1xqp n ASN 233 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xqp n LEU 234 N -4.23 0.60 -0.75 3.41 4.77 -1.26 -2.00 117.00 117.54 1xqp n LEU 234 Ca -0.11 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1xqp n LEU 234 Cb 0.59 -0.57 0.22 0.00 -2.33 0.00 0.00 43.42 41.33 1xqp n LEU 234 CO 0.69 -0.54 0.68 1.41 -1.33 0.00 0.00 177.39 178.30 1xqp n HIS 235 N -2.17 0.75 -0.22 -1.77 8.25 -1.26 -4.73 115.22 114.08 1xqp n HIS 235 Ca 0.02 -0.81 0.09 0.00 -0.26 0.00 0.00 57.72 56.76 1xqp n HIS 235 Cb 0.22 -0.24 0.36 0.00 1.12 0.00 0.00 29.99 31.45 1xqp n HIS 235 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xqp h GLY 236 N 1.64 1.04 -2.76 -1.41 0.00 -1.72 -3.43 103.07 96.42 1xqp h GLY 236 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 47.33 46.76 1xqp h GLY 236 CO 0.16 0.18 -0.66 -1.34 0.00 0.00 0.00 176.54 174.87 1xqp s VAL 237 N -5.67 0.59 0.59 4.60 -7.23 -1.26 -4.95 120.40 107.07 1xqp s VAL 237 Ca -0.10 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 57.93 1xqp s VAL 237 Cb 0.20 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 1xqp s VAL 237 CO 0.78 -0.51 0.86 -2.65 -0.31 0.00 0.00 175.10 173.26 1xqp n PRO 238 N -0.20 0.79 -0.32 4.82 -0.02 -1.26 -4.82 135.00 133.99 1xqp n PRO 238 Ca -0.07 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 1xqp n PRO 238 Cb 0.63 -2.05 0.40 0.00 -0.02 0.00 0.00 33.50 32.46 1xqp n PRO 238 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xqp h LYS 239 N 0.41 0.60 0.00 -0.52 2.10 -1.96 -1.44 116.57 115.75 1xqp h LYS 239 Ca -0.48 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.05 1xqp h LYS 239 Cb 1.37 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1xqp h LYS 239 CO 0.50 0.39 -0.41 1.05 -2.00 0.00 0.00 179.45 178.99 1xqp h GLU 240 N 0.61 0.00 -0.04 0.07 9.09 -2.00 -2.09 114.58 120.23 1xqp h GLU 240 Ca 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.95 1xqp h GLU 240 Cb 1.08 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.18 1xqp h GLU 240 CO -0.32 0.41 -0.07 0.28 0.05 0.00 0.00 179.01 179.36 1xqp h VAL 241 N 0.00 1.41 -0.48 -1.06 2.07 -1.62 -3.08 116.25 113.50 1xqp h VAL 241 Ca -0.00 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 66.28 1xqp h VAL 241 Cb 0.97 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 1xqp h VAL 241 CO 0.05 0.36 -0.02 0.40 0.02 0.00 0.00 177.57 178.38 1xqp h ILE 242 N -0.37 0.60 -0.57 4.57 2.04 -1.36 -2.46 117.51 119.96 1xqp h ILE 242 Ca 0.00 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1xqp h ILE 242 Cb 0.62 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1xqp h ILE 242 CO 0.02 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.57 1xqp h ALA 243 N 1.44 2.03 -0.90 1.87 0.00 -1.37 -1.54 119.26 120.80 1xqp h ALA 243 Ca 0.24 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1xqp h ALA 243 Cb 0.36 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1xqp h ALA 243 CO -0.42 -0.16 0.58 -0.07 0.00 0.00 0.00 179.25 179.18 1xqp h LEU 244 N 0.38 0.69 -2.54 0.00 3.38 -1.35 -2.32 115.31 113.55 1xqp h LEU 244 Ca 0.26 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1xqp h LEU 244 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xqp h LEU 244 CO -0.07 0.36 0.00 0.49 0.09 0.00 0.00 178.44 179.31 1xqp n PHE 245 N -4.56 1.24 -1.16 1.13 3.72 -0.58 -3.98 117.46 113.26 1xqp n PHE 245 Ca 0.17 -0.47 0.07 0.00 -0.05 0.00 0.00 57.45 57.18 1xqp n PHE 245 Cb 0.44 -0.26 0.20 0.00 -0.94 0.00 0.00 39.48 38.91 1xqp n PHE 245 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xqp n GLN 246 N 0.67 1.95 -0.06 -1.08 6.02 -0.87 -4.46 117.38 119.54 1xqp n GLN 246 Ca 0.19 -2.84 -0.13 0.00 -0.01 0.00 0.00 57.00 54.22 1xqp n GLN 246 Cb 0.77 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 1xqp n GLN 246 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1xqp h TRP 247 N 0.86 0.51 -3.81 1.08 7.01 -1.65 -3.45 115.95 116.49 1xqp h TRP 247 Ca 0.03 -0.15 -0.48 0.00 2.11 0.00 0.00 58.89 60.40 1xqp h TRP 247 Cb 1.25 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.18 1xqp h TRP 247 CO 0.40 0.78 0.16 1.03 -2.79 0.00 0.00 178.44 178.02 1xqp s ARG 248 N -4.37 4.01 0.11 2.65 0.52 -0.83 -5.03 118.95 116.01 1xqp s ARG 248 Ca -0.14 0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 55.72 1xqp s ARG 248 Cb 0.06 -2.36 0.11 0.00 0.52 0.00 0.00 34.95 33.28 1xqp s ARG 248 CO 0.77 0.07 0.77 0.41 0.02 0.00 0.00 175.30 177.34 1xqp n GLY 249 N -0.62 -1.05 1.56 -3.53 0.00 -1.26 -2.47 105.19 97.83 1xqp n GLY 249 Ca 0.04 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.70 1xqp n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqp n GLY 250 N -1.23 2.57 2.52 -0.02 0.00 -1.26 -4.76 105.19 103.01 1xqp n GLY 250 Ca 0.05 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1xqp n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqp s ARG 252 N -0.91 0.72 0.72 0.00 1.81 -1.25 -4.50 118.95 115.54 1xqp s ARG 252 Ca 0.53 -0.80 -0.14 0.00 -1.72 0.00 0.00 55.73 53.60 1xqp s ARG 252 Cb 0.17 0.29 0.03 0.00 -0.45 0.00 0.00 34.95 35.00 1xqp s ARG 252 CO -0.08 -0.21 1.17 -2.14 -0.68 0.00 0.00 175.30 173.35 1xqp s PRO 253 N -3.09 2.28 0.00 3.54 0.02 -0.61 -4.79 135.00 132.35 1xqp s PRO 253 Ca -0.01 1.60 0.32 0.00 0.02 0.00 0.00 61.00 62.93 1xqp s PRO 253 Cb 0.01 -1.87 1.87 0.00 0.02 0.00 0.00 34.50 34.53 1xqp s PRO 253 CO -0.07 -1.69 2.21 -0.35 -0.33 0.00 0.00 177.00 176.77