#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqz h ILE 2 N 0.00 1.02 -0.38 3.17 5.03 -2.05 -2.47 117.51 121.82 2cqz h ILE 2 Ca 0.00 -0.24 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 2cqz h ILE 2 Cb 0.00 0.25 -0.02 0.00 -3.03 0.00 0.00 36.82 34.03 2cqz h ILE 2 CO 0.00 0.13 0.14 -0.08 -0.68 0.00 0.00 178.15 177.65 2cqz h GLU 3 N 0.70 0.58 0.40 2.37 4.81 -2.05 -1.01 114.58 120.39 2cqz h GLU 3 Ca 0.29 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2cqz h GLU 3 Cb 0.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2cqz h GLU 3 CO -0.09 0.57 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.35 2cqz h LYS 4 N 0.47 -0.52 -0.27 1.92 1.63 -1.91 -2.07 116.57 115.81 2cqz h LYS 4 Ca 0.13 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 2cqz h LYS 4 Cb 0.22 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 2cqz h LYS 4 CO -0.01 -0.32 -0.10 0.82 -3.45 0.00 0.00 179.45 176.40 2cqz h ILE 5 N -0.59 0.66 -0.98 2.00 2.04 -1.38 -0.80 117.51 118.46 2cqz h ILE 5 Ca -0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.95 2cqz h ILE 5 Cb 0.45 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2cqz h ILE 5 CO 0.09 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.76 2cqz h LEU 6 N -0.04 0.82 0.26 1.44 3.38 -1.12 -0.47 115.31 119.57 2cqz h LEU 6 Ca 0.14 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2cqz h LEU 6 Cb 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2cqz h LEU 6 CO -0.31 0.38 -0.12 0.25 0.09 0.00 0.00 178.44 178.73 2cqz h LEU 7 N 0.87 -0.29 -1.91 1.67 6.46 -0.45 -2.65 115.31 119.00 2cqz h LEU 7 Ca 0.51 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.21 2cqz h LEU 7 Cb 0.63 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2cqz h LEU 7 CO -0.31 -0.11 0.08 0.58 -0.62 0.00 0.00 178.44 178.06 2cqz h VAL 8 N -0.46 1.00 0.00 1.05 2.07 -0.89 -0.13 116.25 118.90 2cqz h VAL 8 Ca -0.04 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2cqz h VAL 8 Cb 0.35 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2cqz h VAL 8 CO 0.06 0.02 0.00 1.56 0.02 0.00 0.00 177.57 179.23 2cqz h GLN 9 N 0.12 0.00 -0.01 1.57 4.20 -0.74 -1.60 115.11 118.64 2cqz h GLN 9 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2cqz h GLN 9 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2cqz h GLN 9 CO -0.01 0.00 0.02 1.15 -0.67 0.00 0.00 178.83 179.32 2cqz h THR 10 N 0.00 0.39 0.00 -0.54 2.02 -0.88 -1.28 112.91 112.62 2cqz h THR 10 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2cqz h THR 10 Cb 0.26 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2cqz h THR 10 CO 0.00 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.78 2cqz h LEU 11 N 0.00 0.00 -1.05 2.58 3.38 -1.46 -0.26 115.31 118.50 2cqz h LEU 11 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2cqz h LEU 11 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2cqz h LEU 11 CO -0.00 0.04 -0.31 0.11 0.09 0.00 0.00 178.44 178.37 2cqz h LYS 12 N 0.00 0.00 0.06 1.13 1.57 -1.44 -2.25 116.57 115.64 2cqz h LYS 12 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2cqz h LYS 12 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2cqz h LYS 12 CO 0.01 0.31 -1.94 0.54 -0.57 0.00 0.00 179.45 177.79 2cqz n ARG 13 N -3.50 0.70 -2.52 3.15 1.74 -0.19 -4.78 116.66 111.26 2cqz n ARG 13 Ca -0.00 0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 2cqz n ARG 13 Cb 0.46 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2cqz n ARG 13 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cqz s LEU 14 N -6.56 4.52 0.41 0.55 1.43 -0.71 -4.98 118.68 113.34 2cqz s LEU 14 Ca -0.16 2.14 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 2cqz s LEU 14 Cb 0.07 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2cqz s LEU 14 CO 0.78 -0.17 0.71 -2.16 0.23 0.00 0.00 176.35 175.74 2cqz s PRO 15 N -0.77 3.60 -0.60 1.29 0.04 -1.26 -1.63 135.00 135.67 2cqz s PRO 15 Ca 0.47 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.40 2cqz s PRO 15 Cb -0.30 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.81 2cqz s PRO 15 CO 0.37 -0.04 1.08 1.03 0.04 0.00 0.00 177.00 179.47 2cqz s ARG 16 N -4.28 3.35 0.40 4.56 1.81 -0.55 -4.55 118.95 119.69 2cqz s ARG 16 Ca 0.46 -0.15 0.14 0.00 -1.72 0.00 0.00 55.73 54.46 2cqz s ARG 16 Cb -0.10 -4.08 0.98 0.00 -0.45 0.00 0.00 34.95 31.30 2cqz s ARG 16 CO 0.38 -1.69 1.89 0.52 -0.68 0.00 0.00 175.30 175.72 2cqz h MET 17 N 9.52 0.49 -0.98 3.54 2.86 -1.91 -2.94 114.93 125.52 2cqz h MET 17 Ca -0.26 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.48 2cqz h MET 17 Cb 1.06 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.53 2cqz h MET 17 CO 1.16 0.32 0.62 0.78 1.06 0.00 0.00 176.91 180.85 2cqz h GLY 18 N 0.51 1.58 0.91 8.32 0.00 -1.91 -1.90 103.07 110.57 2cqz h GLY 18 Ca 0.42 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2cqz h GLY 18 CO -0.16 0.12 0.11 1.49 0.00 0.00 0.00 176.54 178.09 2cqz h TRP 19 N 0.90 0.52 0.17 5.60 -0.00 -1.92 -2.45 115.95 118.77 2cqz h TRP 19 Ca 0.50 -0.05 0.01 0.00 -0.00 0.00 0.00 58.89 59.35 2cqz h TRP 19 Cb 0.59 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 2cqz h TRP 19 CO -0.00 0.51 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.68 2cqz h LEU 20 N 0.37 -0.53 -1.58 -4.49 3.38 -1.49 -0.20 115.31 110.76 2cqz h LEU 20 Ca 0.11 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.30 2cqz h LEU 20 Cb 0.23 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2cqz h LEU 20 CO -0.00 -0.29 0.54 0.40 0.09 0.00 0.00 178.44 179.17 2cqz h ILE 21 N -0.41 0.75 -0.06 1.22 2.04 -1.35 0.77 117.51 120.47 2cqz h ILE 21 Ca 0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2cqz h ILE 21 Cb 0.40 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2cqz h ILE 21 CO -0.07 0.07 0.00 0.29 0.00 0.00 0.00 178.15 178.44 2cqz n LYS 22 N -4.48 1.28 -1.37 2.37 4.76 -0.69 -4.91 118.16 115.12 2cqz n LYS 22 Ca 0.16 -0.43 -0.00 0.00 -2.87 0.00 0.00 58.31 55.17 2cqz n LYS 22 Cb 0.60 -1.35 -0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2cqz n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cqz n GLY 23 N 0.94 0.38 3.73 0.72 0.00 0.27 -4.86 105.19 106.37 2cqz n GLY 23 Ca 0.15 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2cqz n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cqz s VAL 24 N -2.01 4.50 0.04 1.61 1.01 -0.17 -4.99 120.40 120.39 2cqz s VAL 24 Ca 0.00 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 2cqz s VAL 24 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2cqz s VAL 24 CO 0.00 0.29 1.04 -1.10 0.00 0.00 0.00 175.10 175.33 2cqz s GLN 25 N 0.13 4.55 -0.89 2.72 1.11 -1.26 -4.15 119.66 121.87 2cqz s GLN 25 Ca 0.48 1.53 -0.05 0.00 0.01 0.00 0.00 55.36 57.33 2cqz s GLN 25 Cb -0.24 -3.41 -0.02 0.00 -1.01 0.00 0.00 33.01 28.34 2cqz s GLN 25 CO 0.30 -0.06 0.75 0.39 0.01 0.00 0.00 175.29 176.67 2cqz n GLU 26 N 3.67 -1.52 -2.04 2.91 1.02 -1.26 -4.94 120.64 118.48 2cqz n GLU 26 Ca 0.06 1.07 -0.33 0.00 -0.02 0.00 0.00 57.16 57.94 2cqz n GLU 26 Cb 0.49 -4.94 0.02 0.00 -0.02 0.00 0.00 31.44 26.99 2cqz n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2cqz s PRO 27 N -4.12 3.20 0.95 3.49 0.04 -1.26 -5.01 135.00 132.29 2cqz s PRO 27 Ca 0.18 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2cqz s PRO 27 Cb -0.04 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.63 2cqz s PRO 27 CO 0.79 -0.93 0.99 -0.85 0.04 0.00 0.00 177.00 177.04 2cqz n GLU 28 N -1.90 -0.63 -2.64 4.56 0.28 -1.26 -4.74 120.64 114.31 2cqz n GLU 28 Ca 0.10 -0.12 -0.22 0.00 -0.16 0.00 0.00 57.16 56.76 2cqz n GLU 28 Cb 0.52 -2.26 0.04 0.00 1.43 0.00 0.00 31.44 31.17 2cqz n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2cqz s SER 29 N -2.50 5.31 0.35 -1.84 1.04 -1.26 -1.48 113.70 113.32 2cqz s SER 29 Ca 0.65 0.08 0.05 0.00 0.48 0.00 0.00 55.95 57.21 2cqz s SER 29 Cb -0.23 -0.99 0.65 0.00 0.10 0.00 0.00 66.02 65.56 2cqz s SER 29 CO 0.60 -1.13 1.92 0.40 0.98 0.00 0.00 173.24 176.01 2cqz h ILE 30 N 0.04 1.18 -0.47 -1.02 2.04 -1.07 -2.11 117.51 116.10 2cqz h ILE 30 Ca -0.43 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 2cqz h ILE 30 Cb 1.29 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2cqz h ILE 30 CO 0.54 0.23 -0.14 0.00 0.00 0.00 0.00 178.15 178.78 2cqz h ALA 31 N 1.55 0.86 -0.41 1.87 0.00 -1.68 0.23 119.26 121.68 2cqz h ALA 31 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2cqz h ALA 31 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2cqz h ALA 31 CO -0.00 0.64 0.27 -0.44 0.00 0.00 0.00 179.25 179.72 2cqz h ASP 32 N 0.80 0.48 -0.38 0.00 3.32 -1.68 -0.17 116.42 118.78 2cqz h ASP 32 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2cqz h ASP 32 Cb 0.67 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2cqz h ASP 32 CO 0.05 0.35 0.21 -0.74 -1.72 0.00 0.00 179.24 177.39 2cqz h HIS 33 N 0.56 0.52 -0.47 4.55 2.76 -1.17 -2.06 115.15 119.83 2cqz h HIS 33 Ca 0.15 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2cqz h HIS 33 Cb -0.06 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 2cqz h HIS 33 CO -0.05 0.40 0.23 0.77 -1.30 0.00 0.00 177.93 177.98 2cqz h SER 34 N 0.49 0.61 -0.21 3.26 0.02 -0.62 -0.36 113.55 116.74 2cqz h SER 34 Ca 0.13 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2cqz h SER 34 Cb 0.05 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 2cqz h SER 34 CO -0.02 0.56 -0.11 0.15 -1.14 0.00 0.00 176.83 176.27 2cqz h PHE 35 N 0.62 -0.26 -0.53 3.45 3.04 -0.81 0.27 116.94 122.71 2cqz h PHE 35 Ca 0.16 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.21 2cqz h PHE 35 Cb 0.11 0.15 -0.06 0.00 2.56 0.00 0.00 35.95 38.71 2cqz h PHE 35 CO -0.01 -0.17 0.19 0.78 -2.02 0.00 0.00 178.31 177.08 2cqz h GLY 36 N -0.09 0.71 0.78 2.40 0.00 -0.91 0.07 103.07 106.03 2cqz h GLY 36 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2cqz h GLY 36 CO -0.27 -0.00 0.21 -2.08 0.00 0.00 0.00 176.54 174.40 2cqz h VAL 37 N 0.37 0.97 -0.83 4.60 2.07 -0.36 -0.54 116.25 122.52 2cqz h VAL 37 Ca 0.26 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2cqz h VAL 37 Cb 0.29 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2cqz h VAL 37 CO -0.27 0.08 0.55 0.00 0.02 0.00 0.00 177.57 177.95 2cqz h ALA 38 N 1.23 1.46 -0.13 1.67 0.00 0.05 0.19 119.26 123.72 2cqz h ALA 38 Ca 0.18 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2cqz h ALA 38 Cb 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2cqz h ALA 38 CO -0.13 0.47 -0.59 0.35 0.00 0.00 0.00 179.25 179.35 2cqz h PHE 39 N 1.06 0.85 -0.57 0.00 3.57 -0.40 -2.12 116.94 119.34 2cqz h PHE 39 Ca 0.32 -0.37 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 2cqz h PHE 39 Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2cqz h PHE 39 CO -0.00 1.16 -0.04 0.82 -2.23 0.00 0.00 178.31 178.02 2cqz h ILE 40 N 0.29 1.26 -0.75 1.41 2.04 -0.85 -0.79 117.51 120.12 2cqz h ILE 40 Ca -0.04 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.66 2cqz h ILE 40 Cb 1.23 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2cqz h ILE 40 CO 0.12 0.42 0.49 0.74 0.00 0.00 0.00 178.15 179.92 2cqz h THR 41 N 0.92 1.15 0.96 -0.27 2.02 -0.61 0.24 112.91 117.31 2cqz h THR 41 Ca 0.16 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2cqz h THR 41 Cb 0.59 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2cqz h THR 41 CO 0.04 0.18 -0.46 0.25 0.37 0.00 0.00 175.52 175.89 2cqz h LEU 42 N 0.97 -1.09 -0.46 2.58 5.85 -0.87 -0.95 115.31 121.34 2cqz h LEU 42 Ca 0.29 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.13 2cqz h LEU 42 Cb -0.04 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2cqz h LEU 42 CO -0.09 -0.77 0.02 0.58 -0.34 0.00 0.00 178.44 177.84 2cqz h VAL 43 N -1.32 0.67 -0.34 1.05 2.07 -0.94 -1.83 116.25 115.61 2cqz h VAL 43 Ca -0.13 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2cqz h VAL 43 Cb 0.99 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2cqz h VAL 43 CO 0.22 0.02 -0.16 -0.07 0.02 0.00 0.00 177.57 177.60 2cqz h LEU 44 N 0.13 0.60 -0.23 2.57 3.38 -0.56 -2.74 115.31 118.47 2cqz h LEU 44 Ca 0.23 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2cqz h LEU 44 Cb 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2cqz h LEU 44 CO -0.36 0.78 -0.10 0.00 0.09 0.00 0.00 178.44 178.85 2cqz h ALA 45 N 1.28 0.09 0.00 1.53 0.00 -0.33 0.30 119.26 122.13 2cqz h ALA 45 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cqz h ALA 45 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2cqz h ALA 45 CO 0.04 -0.51 0.00 -0.44 0.00 0.00 0.00 179.25 178.33 2cqz h ASP 46 N -0.07 0.00 -0.02 0.00 3.32 -1.36 0.69 116.42 118.99 2cqz h ASP 46 Ca 0.12 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 2cqz h ASP 46 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2cqz h ASP 46 CO -0.27 0.00 -0.46 0.58 -1.72 0.00 0.00 179.24 177.37 2cqz h VAL 47 N 0.00 1.45 -0.60 -1.35 2.07 -0.81 -2.73 116.25 114.28 2cqz h VAL 47 Ca 0.00 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 2cqz h VAL 47 Cb 0.44 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2cqz h VAL 47 CO 0.00 0.56 0.22 -0.07 0.02 0.00 0.00 177.57 178.30 2cqz h LEU 48 N -0.19 0.85 0.09 2.57 3.38 -0.61 -3.03 115.31 118.36 2cqz h LEU 48 Ca -0.05 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2cqz h LEU 48 Cb 1.17 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2cqz h LEU 48 CO 0.09 0.80 -0.51 -0.08 0.09 0.00 0.00 178.44 178.83 2cqz h GLU 49 N 0.84 -0.69 -0.98 1.13 4.57 -0.88 -0.96 114.58 117.61 2cqz h GLU 49 Ca 0.20 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2cqz h GLU 49 Cb 0.24 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2cqz h GLU 49 CO -0.01 -0.46 0.03 0.36 -1.18 0.00 0.00 179.01 177.74 2cqz n LYS 50 N -5.48 1.23 -0.21 1.92 2.85 -1.03 -2.47 118.16 114.97 2cqz n LYS 50 Ca -0.08 -0.27 0.06 0.00 -1.05 0.00 0.00 58.31 56.97 2cqz n LYS 50 Cb 0.41 -1.35 0.09 0.00 -0.65 0.00 0.00 35.03 33.53 2cqz n LYS 50 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2cqz n ARG 51 N 0.20 0.86 0.00 -1.58 1.74 -0.46 -5.00 116.66 112.42 2cqz n ARG 51 Ca 0.04 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 2cqz n ARG 51 Cb 0.46 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2cqz n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cqz n GLY 52 N -0.93 2.72 3.61 -0.13 0.00 -1.03 -5.00 105.19 104.42 2cqz n GLY 52 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2cqz n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqz s LYS 53 N -0.16 3.90 0.04 1.61 2.47 -0.64 -5.01 119.74 121.95 2cqz s LYS 53 Ca 0.00 0.51 -0.26 0.00 -1.56 0.00 0.00 55.97 54.66 2cqz s LYS 53 Cb 0.00 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 2cqz s LYS 53 CO 0.00 -0.73 0.80 0.50 0.16 0.00 0.00 175.35 176.07 2cqz s ARG 54 N 3.01 4.52 -0.03 4.03 3.52 -1.26 -3.38 118.95 129.36 2cqz s ARG 54 Ca 0.32 1.12 0.03 0.00 -0.13 0.00 0.00 55.73 57.07 2cqz s ARG 54 Cb -0.14 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2cqz s ARG 54 CO 0.14 0.23 -0.12 0.42 -0.81 0.00 0.00 175.30 175.15 2cqz s ILE 55 N 0.12 1.01 -0.99 4.11 -1.09 -1.26 -4.98 121.20 118.12 2cqz s ILE 55 Ca 0.40 -0.50 -0.23 0.00 -2.23 0.00 0.00 60.65 58.09 2cqz s ILE 55 Cb -0.21 -0.87 0.05 0.00 -1.58 0.00 0.00 42.46 39.85 2cqz s ILE 55 CO 0.24 0.30 1.44 -0.62 -1.23 0.00 0.00 174.94 175.06 2cqz s ASP 56 N 0.05 6.45 0.19 3.58 -1.08 -1.26 -4.82 116.67 119.78 2cqz s ASP 56 Ca -0.02 -1.33 -0.12 0.00 -0.52 0.00 0.00 52.55 50.56 2cqz s ASP 56 Cb -0.09 -2.57 0.16 0.00 -1.46 0.00 0.00 42.92 38.97 2cqz s ASP 56 CO 0.01 -1.56 1.78 0.58 0.52 0.00 0.00 175.17 176.50 2cqz h VAL 57 N 6.72 0.93 -0.27 1.11 2.07 -1.99 -2.02 116.25 122.81 2cqz h VAL 57 Ca 0.15 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2cqz h VAL 57 Cb 1.01 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2cqz h VAL 57 CO 1.41 0.09 -0.14 -0.08 0.02 0.00 0.00 177.57 178.88 2cqz h GLU 58 N 0.50 -0.10 -0.71 1.57 4.81 -2.00 0.24 114.58 118.89 2cqz h GLU 58 Ca 0.24 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2cqz h GLU 58 Cb 0.16 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2cqz h GLU 58 CO -0.18 -0.07 0.44 -0.22 -0.73 0.00 0.00 179.01 178.26 2cqz h LYS 59 N -0.10 0.96 0.27 1.92 3.64 -1.90 -1.83 116.57 119.53 2cqz h LYS 59 Ca 0.14 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2cqz h LYS 59 Cb 0.32 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2cqz h LYS 59 CO -0.33 0.67 -0.24 0.00 -2.27 0.00 0.00 179.45 177.28 2cqz h ALA 60 N 1.24 -0.51 -0.82 5.00 0.00 -0.61 0.21 119.26 123.76 2cqz h ALA 60 Ca 0.26 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2cqz h ALA 60 Cb -0.06 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2cqz h ALA 60 CO -0.05 -0.81 0.52 -0.07 0.00 0.00 0.00 179.25 178.84 2cqz h LEU 61 N -0.53 0.86 -0.60 0.00 3.38 -0.86 0.23 115.31 117.79 2cqz h LEU 61 Ca -0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2cqz h LEU 61 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2cqz h LEU 61 CO -0.03 0.59 0.16 0.11 0.09 0.00 0.00 178.44 179.36 2cqz h LYS 62 N 1.01 0.95 -0.73 1.13 1.57 -1.10 -1.09 116.57 118.31 2cqz h LYS 62 Ca 0.33 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2cqz h LYS 62 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2cqz h LYS 62 CO -0.12 0.86 0.29 1.98 -0.57 0.00 0.00 179.45 181.89 2cqz h MET 63 N 0.86 1.09 -0.42 3.15 4.05 0.50 -2.04 114.93 122.12 2cqz h MET 63 Ca 0.19 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 2cqz h MET 63 Cb 0.33 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2cqz h MET 63 CO -0.00 0.89 -0.04 0.00 0.23 0.00 0.00 176.91 177.99 2cqz h ALA 64 N 1.14 0.58 -0.63 0.39 0.00 -0.38 -1.58 119.26 118.78 2cqz h ALA 64 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2cqz h ALA 64 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2cqz h ALA 64 CO -0.02 0.40 0.34 0.82 0.00 0.00 0.00 179.25 180.80 2cqz h ILE 65 N 0.61 1.19 -0.38 0.00 2.04 -0.88 -3.20 117.51 116.89 2cqz h ILE 65 Ca 0.12 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2cqz h ILE 65 Cb 0.55 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2cqz h ILE 65 CO 0.03 0.21 0.00 1.33 0.00 0.00 0.00 178.15 179.72 2cqz n VAL 66 N -4.38 1.05 0.06 1.67 0.24 -0.80 -4.67 118.33 111.50 2cqz n VAL 66 Ca 0.06 -1.03 0.01 0.00 -2.04 0.00 0.00 64.34 61.34 2cqz n VAL 66 Cb 0.10 0.47 0.35 0.00 -1.47 0.00 0.00 33.84 33.30 2cqz n VAL 66 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2cqz h HIS 67 N 2.23 0.39 -0.29 6.34 2.07 -1.28 -2.69 115.15 121.92 2cqz h HIS 67 Ca 0.00 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2cqz h HIS 67 Cb 0.78 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.65 2cqz h HIS 67 CO 0.27 0.44 0.00 -0.25 -3.07 0.00 0.00 177.93 175.31 2cqz n ASP 68 N -4.29 3.93 0.05 3.10 8.00 -1.26 -4.70 116.55 121.38 2cqz n ASP 68 Ca 0.00 -2.93 0.11 0.00 0.71 0.00 0.00 54.79 52.68 2cqz n ASP 68 Cb 0.24 -0.53 0.56 0.00 -0.02 0.00 0.00 41.12 41.38 2cqz n ASP 68 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2cqz h LEU 69 N 1.97 0.21 -2.26 0.64 5.85 -1.76 -2.09 115.31 117.88 2cqz h LEU 69 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2cqz h LEU 69 Cb 1.42 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 2cqz h LEU 69 CO 0.22 0.14 -0.04 0.00 -0.34 0.00 0.00 178.44 178.42 2cqz h ALA 70 N 1.81 1.51 0.00 1.25 0.00 -1.84 -1.59 119.26 120.39 2cqz h ALA 70 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cqz h ALA 70 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2cqz h ALA 70 CO -0.03 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.20 2cqz h GLU 71 N 0.00 0.00 -0.00 0.00 5.08 -1.65 -0.95 114.58 117.05 2cqz h GLU 71 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cqz h GLU 71 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2cqz h GLU 71 CO 0.01 0.00 0.03 0.00 -1.00 0.00 0.00 179.01 178.05 2cqz h ALA 72 N 2.09 1.11 0.00 3.43 0.00 -1.46 0.50 119.26 124.93 2cqz h ALA 72 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2cqz h ALA 72 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2cqz h ALA 72 CO 0.00 -0.03 -1.35 -0.89 0.00 0.00 0.00 179.25 176.98 2cqz n ILE 73 N -3.17 0.35 0.09 0.00 5.41 -0.47 -4.75 119.36 116.82 2cqz n ILE 73 Ca -0.03 -0.13 -0.02 0.00 1.00 0.00 0.00 62.75 63.56 2cqz n ILE 73 Cb 0.10 -0.74 -0.05 0.00 -0.71 0.00 0.00 39.64 38.24 2cqz n ILE 73 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2cqz h ILE 74 N -0.00 1.26 -0.41 1.39 1.08 -1.13 -3.50 117.51 116.19 2cqz h ILE 74 Ca -0.14 -2.80 0.04 0.00 -0.39 0.00 0.00 64.86 61.57 2cqz h ILE 74 Cb 1.21 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 37.55 2cqz h ILE 74 CO -0.02 0.72 -0.14 0.35 -0.69 0.00 0.00 178.15 178.36 2cqz n THR 75 N -3.27 -0.09 -1.78 -0.27 -2.24 0.17 -4.57 114.28 102.23 2cqz n THR 75 Ca 0.00 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 2cqz n THR 75 Cb 0.85 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 2cqz n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2cqz n ASP 76 N -2.37 3.77 -4.60 3.42 2.03 -1.26 -4.70 116.55 112.84 2cqz n ASP 76 Ca -0.01 -2.82 -0.48 0.00 0.52 0.00 0.00 54.79 52.00 2cqz n ASP 76 Cb 0.08 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 38.85 2cqz n ASP 76 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2cqz n ILE 77 N 5.59 0.42 -1.19 5.18 5.41 -1.26 -4.13 119.36 129.37 2cqz n ILE 77 Ca 0.51 -0.23 -0.34 0.00 1.00 0.00 0.00 62.75 63.69 2cqz n ILE 77 Cb 0.41 -1.95 0.11 0.00 -0.71 0.00 0.00 39.64 37.49 2cqz n ILE 77 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2cqz n PRO 78 N 7.54 0.29 0.26 0.38 -0.04 -1.26 -4.81 135.00 137.35 2cqz n PRO 78 Ca 0.29 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 2cqz n PRO 78 Cb 0.31 -2.29 0.69 0.00 -0.04 0.00 0.00 33.50 32.16 2cqz n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2cqz h LEU 79 N -0.67 0.00 -1.23 1.53 6.46 -1.98 -0.56 115.31 118.86 2cqz h LEU 79 Ca -0.46 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.24 2cqz h LEU 79 Cb 1.31 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 2cqz h LEU 79 CO 0.45 0.09 -0.27 0.77 -0.62 0.00 0.00 178.44 178.86 2cqz h SER 80 N 0.00 0.00 1.07 1.25 4.64 -2.01 -2.99 113.55 115.51 2cqz h SER 80 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2cqz h SER 80 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2cqz h SER 80 CO 0.01 0.27 -0.96 0.00 -0.87 0.00 0.00 176.83 175.28 2cqz h ALA 81 N 1.73 0.61 0.00 5.18 0.00 -1.46 -3.36 119.26 121.97 2cqz h ALA 81 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2cqz h ALA 81 Cb 0.71 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2cqz h ALA 81 CO 0.04 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.61 2cqz n GLN 82 N -2.82 0.30 0.09 0.00 6.02 -0.96 -1.29 117.38 118.72 2cqz n GLN 82 Ca -0.02 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2cqz n GLN 82 Cb 0.64 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.74 2cqz n GLN 82 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2cqz n GLU 83 N -1.03 0.25 0.00 -1.09 2.13 -1.26 -3.73 120.64 115.91 2cqz n GLU 83 Ca 0.07 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2cqz n GLU 83 Cb 0.04 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2cqz n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2cqz n PHE 84 N -2.17 0.00 -4.64 4.31 3.72 -0.41 -5.02 117.46 113.25 2cqz n PHE 84 Ca 0.05 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.21 2cqz n PHE 84 Cb 0.43 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.81 2cqz n PHE 84 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2cqz s VAL 85 N -1.35 1.17 -1.14 -4.37 1.01 -0.87 -5.07 120.40 109.77 2cqz s VAL 85 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2cqz s VAL 85 Cb 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.46 2cqz s VAL 85 CO 0.00 0.35 1.46 -0.62 0.00 0.00 0.00 175.10 176.29 2cqz s ASP 86 N 0.29 6.80 0.25 3.32 -1.08 -1.26 -4.40 116.67 120.59 2cqz s ASP 86 Ca -0.07 -2.34 -0.05 0.00 -0.52 0.00 0.00 52.55 49.58 2cqz s ASP 86 Cb -0.12 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.18 2cqz s ASP 86 CO 0.02 -1.08 1.90 0.50 0.52 0.00 0.00 175.17 177.03 2cqz h LYS 87 N 8.15 1.19 -0.31 4.34 3.64 -1.96 -2.35 116.57 129.27 2cqz h LYS 87 Ca 0.30 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2cqz h LYS 87 Cb 0.93 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 2cqz h LYS 87 CO 1.31 0.79 0.08 -0.44 -2.27 0.00 0.00 179.45 178.92 2cqz h ASP 88 N 1.22 0.06 -0.70 4.20 3.32 -1.99 0.14 116.42 122.68 2cqz h ASP 88 Ca 0.39 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 2cqz h ASP 88 Cb 0.02 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2cqz h ASP 88 CO -0.13 0.07 0.25 0.50 -1.72 0.00 0.00 179.24 178.21 2cqz h LYS 89 N 0.21 1.06 -0.62 3.56 3.64 -1.90 -2.11 116.57 120.40 2cqz h LYS 89 Ca 0.14 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2cqz h LYS 89 Cb 0.14 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2cqz h LYS 89 CO -0.17 0.89 0.14 0.00 -2.27 0.00 0.00 179.45 178.05 2cqz h ALA 90 N 1.11 0.82 0.31 5.00 0.00 -0.89 -2.72 119.26 122.90 2cqz h ALA 90 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2cqz h ALA 90 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cqz h ALA 90 CO -0.01 0.54 -0.16 0.93 0.00 0.00 0.00 179.25 180.55 2cqz h GLU 91 N 0.92 -0.41 -0.71 0.00 5.08 -0.46 -2.22 114.58 116.78 2cqz h GLU 91 Ca 0.19 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.73 2cqz h GLU 91 Cb 0.37 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 2cqz h GLU 91 CO 0.00 -0.27 0.14 0.00 -1.00 0.00 0.00 179.01 177.88 2cqz h ALA 92 N 0.27 0.88 -0.01 3.43 0.00 -1.35 -0.76 119.26 121.72 2cqz h ALA 92 Ca -0.04 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2cqz h ALA 92 Cb 0.34 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2cqz h ALA 92 CO 0.06 -0.35 -0.07 -0.07 0.00 0.00 0.00 179.25 178.82 2cqz h LEU 93 N 0.24 -0.21 -0.71 0.00 3.38 -1.15 -1.01 115.31 115.84 2cqz h LEU 93 Ca 0.39 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.52 2cqz h LEU 93 Cb 0.66 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 2cqz h LEU 93 CO -0.51 -0.11 0.29 0.58 0.09 0.00 0.00 178.44 178.79 2cqz h VAL 94 N -0.12 0.72 -0.33 1.22 2.07 -0.86 -0.33 116.25 118.63 2cqz h VAL 94 Ca 0.03 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 2cqz h VAL 94 Cb 0.17 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2cqz h VAL 94 CO -0.08 0.09 -0.38 -0.26 0.02 0.00 0.00 177.57 176.96 2cqz h PHE 95 N 0.47 1.01 0.00 1.57 0.04 -0.59 0.39 116.94 119.82 2cqz h PHE 95 Ca 0.38 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2cqz h PHE 95 Cb 0.51 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2cqz h PHE 95 CO -0.15 1.11 -0.35 0.36 -0.60 0.00 0.00 178.31 178.68 2cqz n LYS 96 N -4.13 0.19 -0.08 1.51 2.85 -0.44 -1.13 118.16 116.93 2cqz n LYS 96 Ca -0.03 0.09 -0.20 0.00 -1.05 0.00 0.00 58.31 57.11 2cqz n LYS 96 Cb 0.53 -1.65 -0.13 0.00 -0.65 0.00 0.00 35.03 33.13 2cqz n LYS 96 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2cqz n LYS 97 N -1.95 0.68 -0.09 -1.58 4.81 -0.15 -4.44 118.16 115.44 2cqz n LYS 97 Ca 0.05 0.22 -0.10 0.00 -0.87 0.00 0.00 58.31 57.61 2cqz n LYS 97 Cb 0.40 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 33.72 2cqz n LYS 97 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2cqz n VAL 98 N -3.47 1.20 -2.49 3.15 0.31 0.13 -4.68 118.33 112.47 2cqz n VAL 98 Ca -0.41 -0.69 -0.20 0.00 -0.01 0.00 0.00 64.34 63.03 2cqz n VAL 98 Cb 0.99 -0.67 0.01 0.00 -0.91 0.00 0.00 33.84 33.26 2cqz n VAL 98 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2cqz n PHE 99 N -2.73 2.58 0.26 3.52 3.72 -0.90 -4.89 117.46 119.02 2cqz n PHE 99 Ca -0.30 -2.85 0.09 0.00 -0.05 0.00 0.00 57.45 54.34 2cqz n PHE 99 Cb 1.04 -0.20 0.67 0.00 -0.94 0.00 0.00 39.48 40.04 2cqz n PHE 99 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2cqz h PRO 100 N 2.64 0.00 0.00 -1.08 0.13 -1.34 0.85 132.00 133.19 2cqz h PRO 100 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2cqz h PRO 100 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2cqz h PRO 100 CO 0.70 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.52 2cqz h GLU 101 N 0.00 0.00 -0.07 0.86 9.09 -1.90 -2.69 114.58 119.87 2cqz h GLU 101 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2cqz h GLU 101 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2cqz h GLU 101 CO -0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 2cqz n PHE 102 N -2.39 0.09 0.00 2.06 3.72 0.24 -4.69 117.46 116.49 2cqz n PHE 102 Ca 0.01 -0.14 0.04 0.00 -0.05 0.00 0.00 57.45 57.31 2cqz n PHE 102 Cb 0.22 -0.01 0.43 0.00 -0.94 0.00 0.00 39.48 39.18 2cqz n PHE 102 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2cqz h TYR 103 N 1.45 0.51 -0.06 1.38 3.20 -1.07 -1.29 116.97 121.08 2cqz h TYR 103 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2cqz h TYR 103 Cb 0.41 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2cqz h TYR 103 CO 0.04 0.32 0.01 0.93 -1.64 0.00 0.00 178.16 177.83 2cqz h GLU 104 N 0.55 0.10 -0.56 1.82 3.07 -1.84 0.84 114.58 118.57 2cqz h GLU 104 Ca 0.15 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2cqz h GLU 104 Cb -0.06 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 2cqz h GLU 104 CO -0.03 0.31 0.33 -0.07 -1.40 0.00 0.00 179.01 178.15 2cqz h LEU 105 N -0.12 0.53 0.49 1.33 3.38 -1.81 0.19 115.31 119.29 2cqz h LEU 105 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2cqz h LEU 105 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2cqz h LEU 105 CO 0.00 0.37 -0.36 0.22 0.09 0.00 0.00 178.44 178.75 2cqz h TYR 106 N 0.65 -0.97 -0.62 1.13 3.20 -1.05 -1.02 116.97 118.29 2cqz h TYR 106 Ca 0.23 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2cqz h TYR 106 Cb 0.05 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 2cqz h TYR 106 CO -0.07 -0.53 0.17 -0.09 -1.64 0.00 0.00 178.16 176.00 2cqz h ARG 107 N -0.83 0.30 -0.39 1.82 1.12 -0.49 0.01 114.38 115.92 2cqz h ARG 107 Ca -0.05 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 2cqz h ARG 107 Cb 0.71 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.58 2cqz h ARG 107 CO 0.01 0.20 -0.08 1.49 -3.11 0.00 0.00 179.97 178.48 2cqz h GLU 108 N 0.31 0.67 -0.40 0.20 4.81 -0.82 -2.88 114.58 116.47 2cqz h GLU 108 Ca 0.33 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2cqz h GLU 108 Cb 0.47 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2cqz h GLU 108 CO -0.38 0.75 0.20 -0.92 -0.73 0.00 0.00 179.01 177.92 2cqz h TYR 109 N 0.62 0.58 -0.35 0.92 3.20 0.33 -2.86 116.97 119.41 2cqz h TYR 109 Ca 0.11 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2cqz h TYR 109 Cb 0.51 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2cqz h TYR 109 CO 0.02 0.48 0.14 1.96 -1.64 0.00 0.00 178.16 179.12 2cqz h GLN 110 N 0.51 0.49 0.00 1.82 1.08 -1.04 -2.36 115.11 115.62 2cqz h GLN 110 Ca 0.14 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2cqz h GLN 110 Cb 0.11 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2cqz h GLN 110 CO -0.02 0.42 -0.26 0.93 -0.95 0.00 0.00 178.83 178.95 2cqz h GLU 111 N 0.49 0.00 -6.58 1.46 5.08 -1.29 -3.47 114.58 110.27 2cqz h GLU 111 Ca 0.12 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.96 2cqz h GLU 111 Cb 0.11 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 2cqz h GLU 111 CO -0.01 0.26 -0.82 0.00 -1.00 0.00 0.00 179.01 177.43 2cqz n SER 113 N -2.77 1.58 -4.70 0.00 2.88 -1.26 -4.70 113.62 104.66 2cqz n SER 113 Ca -0.01 0.11 -0.30 0.00 -1.33 0.00 0.00 58.87 57.34 2cqz n SER 113 Cb 0.54 -0.38 0.14 0.00 -0.75 0.00 0.00 64.21 63.76 2cqz n SER 113 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqz s SER 114 N -6.08 3.38 0.20 -3.46 1.04 -1.26 -4.81 113.70 102.72 2cqz s SER 114 Ca -0.20 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.92 2cqz s SER 114 Cb 0.07 -2.41 0.13 0.00 0.10 0.00 0.00 66.02 63.91 2cqz s SER 114 CO 0.28 -2.74 1.83 -0.65 0.98 0.00 0.00 173.24 172.94 2cqz h PRO 115 N -1.62 0.97 -0.05 4.02 0.11 -1.96 -1.62 132.00 131.85 2cqz h PRO 115 Ca -0.47 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 2cqz h PRO 115 Cb 1.27 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2cqz h PRO 115 CO 0.49 0.70 0.02 0.93 -0.21 0.00 0.00 178.00 179.93 2cqz h GLU 116 N 0.97 0.08 -0.52 1.05 3.07 -1.91 -1.03 114.58 116.29 2cqz h GLU 116 Ca 0.25 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.17 2cqz h GLU 116 Cb -0.02 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 2cqz h GLU 116 CO -0.05 0.25 0.19 0.00 -1.40 0.00 0.00 179.01 178.01 2cqz h ALA 117 N 0.83 0.65 -0.14 3.43 0.00 -1.83 -0.83 119.26 121.37 2cqz h ALA 117 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2cqz h ALA 117 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2cqz h ALA 117 CO -0.00 -0.20 -0.39 1.96 0.00 0.00 0.00 179.25 180.62 2cqz h GLN 118 N 0.38 0.30 0.05 0.00 4.20 -1.22 -1.77 115.11 117.04 2cqz h GLN 118 Ca 0.25 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2cqz h GLN 118 Cb 0.27 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2cqz h GLN 118 CO -0.25 0.65 -0.02 1.25 -0.67 0.00 0.00 178.83 179.79 2cqz h LEU 119 N 0.25 -0.06 -0.51 1.46 5.85 -0.47 -0.49 115.31 121.34 2cqz h LEU 119 Ca 0.02 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2cqz h LEU 119 Cb 0.81 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2cqz h LEU 119 CO 0.06 0.15 0.31 0.58 -0.34 0.00 0.00 178.44 179.21 2cqz h VAL 120 N -0.27 1.15 -0.84 1.05 2.07 -1.09 0.49 116.25 118.82 2cqz h VAL 120 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2cqz h VAL 120 Cb 0.24 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2cqz h VAL 120 CO 0.01 0.16 0.51 -0.09 0.02 0.00 0.00 177.57 178.18 2cqz h ARG 121 N 0.68 0.90 -0.51 1.57 9.65 -1.20 0.20 114.38 125.67 2cqz h ARG 121 Ca 0.18 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.91 2cqz h ARG 121 Cb -0.02 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 2cqz h ARG 121 CO -0.03 0.59 -0.07 0.82 2.80 0.00 0.00 179.97 184.07 2cqz h ILE 122 N 0.92 1.26 -0.71 1.20 2.04 -0.36 -2.03 117.51 119.84 2cqz h ILE 122 Ca 0.37 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2cqz h ILE 122 Cb 0.19 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2cqz h ILE 122 CO -0.18 0.42 0.24 0.00 0.00 0.00 0.00 178.15 178.62 2cqz h ALA 123 N 1.07 0.93 -0.11 1.87 0.00 0.18 -0.96 119.26 122.24 2cqz h ALA 123 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2cqz h ALA 123 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2cqz h ALA 123 CO 0.04 0.59 -0.01 0.22 0.00 0.00 0.00 179.25 180.09 2cqz h ASP 124 N 1.04 -0.07 0.79 0.00 3.58 -0.28 -1.79 116.42 119.68 2cqz h ASP 124 Ca 0.23 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 2cqz h ASP 124 Cb 0.28 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2cqz h ASP 124 CO -0.01 -0.02 -0.40 0.11 -2.88 0.00 0.00 179.24 176.04 2cqz h LYS 125 N 0.02 0.00 0.13 0.28 1.57 -1.15 -3.01 116.57 114.41 2cqz h LYS 125 Ca 0.05 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.54 2cqz h LYS 125 Cb 0.07 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.40 2cqz h LYS 125 CO -0.10 0.40 -1.24 -0.07 -0.57 0.00 0.00 179.45 177.87 2cqz h LEU 126 N 0.00 0.65 -0.50 2.94 3.38 -0.99 -1.68 115.31 119.10 2cqz h LEU 126 Ca -0.00 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 2cqz h LEU 126 Cb 0.91 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2cqz h LEU 126 CO 0.05 1.47 0.27 -0.78 0.09 0.00 0.00 178.44 179.54 2cqz h ASP 127 N 0.17 0.64 -0.11 -0.43 3.58 -1.32 0.70 116.42 119.65 2cqz h ASP 127 Ca -0.16 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 2cqz h ASP 127 Cb 1.93 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 2cqz h ASP 127 CO 0.22 0.56 0.03 -0.03 -2.88 0.00 0.00 179.24 177.14 2cqz h MET 128 N 0.67 0.17 -0.81 0.28 4.05 -1.56 0.23 114.93 117.96 2cqz h MET 128 Ca 0.18 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2cqz h MET 128 Cb 0.07 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 2cqz h MET 128 CO -0.03 0.33 0.53 0.82 0.23 0.00 0.00 176.91 178.79 2cqz h ILE 129 N -0.03 1.18 0.00 1.77 2.04 -1.10 0.27 117.51 121.64 2cqz h ILE 129 Ca 0.03 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2cqz h ILE 129 Cb 0.23 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2cqz h ILE 129 CO -0.00 0.19 -0.33 -0.07 0.00 0.00 0.00 178.15 177.94 2cqz h LEU 130 N 1.07 0.00 -0.06 1.44 3.38 -0.69 -1.72 115.31 118.73 2cqz h LEU 130 Ca 0.31 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.02 2cqz h LEU 130 Cb -0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.69 2cqz h LEU 130 CO -0.08 0.33 -0.97 -0.61 0.09 0.00 0.00 178.44 177.20 2cqz h GLN 131 N 0.00 0.71 -0.49 1.13 5.75 0.93 -2.43 115.11 120.72 2cqz h GLN 131 Ca -0.00 -0.71 -0.02 0.00 -0.15 0.00 0.00 58.65 57.76 2cqz h GLN 131 Cb 0.90 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 2cqz h GLN 131 CO 0.04 1.30 0.22 0.00 -2.65 0.00 0.00 178.83 177.74 2cqz h ALA 132 N 0.47 0.63 -0.34 3.38 0.00 -0.35 -1.22 119.26 121.82 2cqz h ALA 132 Ca -0.11 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2cqz h ALA 132 Cb 1.62 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 2cqz h ALA 132 CO 0.19 0.21 -0.11 -0.92 0.00 0.00 0.00 179.25 178.62 2cqz h TYR 133 N 0.64 -0.25 -0.52 0.00 3.20 -1.26 -0.46 116.97 118.32 2cqz h TYR 133 Ca 0.17 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2cqz h TYR 133 Cb 0.14 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2cqz h TYR 133 CO -0.00 -0.18 0.34 0.37 -1.64 0.00 0.00 178.16 177.05 2cqz h GLN 134 N -0.04 0.68 0.00 1.82 -0.00 -0.91 -1.76 115.11 114.90 2cqz h GLN 134 Ca 0.17 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 2cqz h GLN 134 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 2cqz h GLN 134 CO -0.37 0.45 -0.17 1.88 0.00 0.00 0.00 178.83 180.62 2cqz h TYR 135 N 0.70 0.00 -0.11 3.99 0.05 -0.69 -1.68 116.97 119.24 2cqz h TYR 135 Ca 0.19 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.80 2cqz h TYR 135 Cb -0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2cqz h TYR 135 CO -0.04 0.17 -0.66 0.93 -1.05 0.00 0.00 178.16 177.51 2cqz h GLU 136 N 0.00 0.42 0.00 4.88 5.08 -0.24 -2.02 114.58 122.70 2cqz h GLU 136 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2cqz h GLU 136 Cb 0.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2cqz h GLU 136 CO 0.02 0.93 0.00 -0.07 -1.00 0.00 0.00 179.01 178.90 2cqz h LEU 137 N 0.30 0.00 0.00 1.33 3.38 -0.78 -0.57 115.31 118.98 2cqz h LEU 137 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cqz h LEU 137 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2cqz h LEU 137 CO 0.11 0.00 -0.27 0.28 0.09 0.00 0.00 178.44 178.65 2cqz h SER 138 N 0.00 0.00 0.00 -0.43 0.02 -0.80 -3.47 113.55 108.86 2cqz h SER 138 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2cqz h SER 138 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2cqz h SER 138 CO 0.00 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2cqz n GLY 139 N 1.30 1.69 3.68 -3.77 0.00 -0.22 -5.09 105.19 102.77 2cqz n GLY 139 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2cqz n GLY 139 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cqz s ASN 140 N -1.82 6.78 -0.09 1.61 3.84 -0.90 -4.91 114.94 119.45 2cqz s ASN 140 Ca 0.00 2.13 0.15 0.00 0.21 0.00 0.00 52.86 55.35 2cqz s ASN 140 Cb 0.00 -2.55 0.48 0.00 -0.55 0.00 0.00 41.25 38.63 2cqz s ASN 140 CO 0.00 -0.81 1.40 2.29 -2.79 0.00 0.00 177.10 177.19 2cqz n LYS 141 N 6.12 3.10 -1.75 0.43 2.85 -1.26 -4.18 118.16 123.48 2cqz n LYS 141 Ca 0.15 -2.53 -0.15 0.00 -1.05 0.00 0.00 58.31 54.72 2cqz n LYS 141 Cb 0.43 -1.62 0.06 0.00 -0.65 0.00 0.00 35.03 33.25 2cqz n LYS 141 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2cqz n ASN 142 N 0.28 3.93 -1.06 -5.58 2.04 -1.26 -4.64 115.26 108.97 2cqz n ASN 142 Ca 0.18 -3.64 0.09 0.00 -0.44 0.00 0.00 54.58 50.78 2cqz n ASN 142 Cb 0.70 -0.39 0.25 0.00 -2.53 0.00 0.00 39.78 37.82 2cqz n ASN 142 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2cqz n LEU 143 N -0.77 3.53 -0.22 -4.53 4.77 -1.26 -4.71 117.00 113.80 2cqz n LEU 143 Ca 0.35 -1.99 -0.01 0.00 -0.03 0.00 0.00 56.01 54.34 2cqz n LEU 143 Cb 0.90 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2cqz n LEU 143 CO 0.27 0.88 0.72 -0.78 -1.33 0.00 0.00 177.39 177.15 2cqz h ASP 144 N 3.37 -0.69 -0.80 -1.43 3.58 -1.95 -2.35 116.42 116.14 2cqz h ASP 144 Ca 0.00 0.20 0.16 0.00 0.42 0.00 0.00 57.03 57.82 2cqz h ASP 144 Cb 0.88 0.44 -0.10 0.00 1.72 0.00 0.00 39.33 42.27 2cqz h ASP 144 CO 0.00 -0.23 0.32 1.05 -2.88 0.00 0.00 179.24 177.50 2cqz h GLU 145 N -0.02 0.42 -0.56 0.28 4.11 -1.99 -1.96 114.58 114.85 2cqz h GLU 145 Ca 0.31 -0.03 0.16 0.00 0.07 0.00 0.00 59.36 59.88 2cqz h GLU 145 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2cqz h GLU 145 CO -0.69 0.28 0.77 0.74 0.07 0.00 0.00 179.01 180.18 2cqz h PHE 146 N 0.44 0.00 0.00 2.06 0.04 -1.80 0.18 116.94 117.86 2cqz h PHE 146 Ca 0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2cqz h PHE 146 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2cqz h PHE 146 CO -0.16 0.00 0.00 0.91 -0.60 0.00 0.00 178.31 178.46 2cqz n TRP 147 N -3.33 0.52 1.73 -0.55 7.02 -0.74 -3.05 117.44 119.05 2cqz n TRP 147 Ca 0.12 0.17 0.01 0.00 -1.02 0.00 0.00 57.50 56.77 2cqz n TRP 147 Cb 0.97 -0.77 0.03 0.00 -2.42 0.00 0.00 31.31 29.11 2cqz n TRP 147 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 2cqz n GLU 148 N -1.94 1.15 0.07 -0.99 0.28 0.05 -2.62 120.64 116.64 2cqz n GLU 148 Ca 0.05 -0.21 0.13 0.00 -0.16 0.00 0.00 57.16 56.97 2cqz n GLU 148 Cb 0.33 -1.09 0.39 0.00 1.43 0.00 0.00 31.44 32.50 2cqz n GLU 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cqz n ALA 149 N -0.30 2.52 -0.03 -1.84 0.00 -1.17 -2.89 120.51 116.80 2cqz n ALA 149 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2cqz n ALA 149 Cb 0.07 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.28 2cqz n ALA 149 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2cqz h ILE 150 N 0.00 1.27 -0.25 0.00 2.04 -1.77 -1.75 117.51 117.06 2cqz h ILE 150 Ca 0.00 -1.35 -0.16 0.00 1.00 0.00 0.00 64.86 64.35 2cqz h ILE 150 Cb 0.67 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2cqz h ILE 150 CO 0.00 0.44 -0.50 -0.33 0.00 0.00 0.00 178.15 177.76 2cqz h GLU 151 N 0.53 0.69 -0.13 2.37 4.39 -1.77 -2.15 114.58 118.51 2cqz h GLU 151 Ca 0.07 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 2cqz h GLU 151 Cb 0.73 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2cqz h GLU 151 CO 0.06 1.03 -0.05 0.93 -1.16 0.00 0.00 179.01 179.81 2cqz h GLU 152 N 0.54 0.19 -0.12 2.33 5.08 -1.47 -2.17 114.58 118.95 2cqz h GLU 152 Ca 0.02 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2cqz h GLU 152 Cb 1.06 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.28 2cqz h GLU 152 CO 0.10 0.26 -0.65 0.82 -1.00 0.00 0.00 179.01 178.54 2cqz h ILE 153 N 0.18 1.32 -0.31 3.13 2.04 -1.04 -3.17 117.51 119.66 2cqz h ILE 153 Ca 0.04 -1.91 0.09 0.00 1.00 0.00 0.00 64.86 64.08 2cqz h ILE 153 Cb 0.22 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2cqz h ILE 153 CO 0.01 0.59 0.24 0.11 0.00 0.00 0.00 178.15 179.10 2cqz h LYS 154 N 0.33 0.00 0.00 2.37 1.79 -0.75 -0.91 116.57 119.39 2cqz h LYS 154 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2cqz h LYS 154 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2cqz h LYS 154 CO 0.13 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.04 2cqz n ARG 155 N -4.28 0.62 -4.22 3.15 1.74 -1.05 -4.71 116.66 107.91 2cqz n ARG 155 Ca 0.04 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 2cqz n ARG 155 Cb 0.41 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 2cqz n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cqz s LEU 156 N -2.13 3.53 0.19 0.55 1.43 -0.35 -5.01 118.68 116.89 2cqz s LEU 156 Ca 0.31 -0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 2cqz s LEU 156 Cb 0.15 -1.87 0.16 0.00 0.03 0.00 0.00 46.19 44.66 2cqz s LEU 156 CO 0.28 0.19 1.59 -0.33 0.23 0.00 0.00 176.35 178.31 2cqz h GLU 157 N 6.57 -0.12 -0.71 1.70 5.08 -1.86 -1.04 114.58 124.20 2cqz h GLU 157 Ca -0.35 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2cqz h GLU 157 Cb 1.18 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2cqz h GLU 157 CO 0.66 -0.08 0.72 1.25 -1.00 0.00 0.00 179.01 180.56 2cqz h LEU 158 N -0.13 0.00 -2.13 1.33 5.85 -1.95 0.20 115.31 118.48 2cqz h LEU 158 Ca 0.25 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2cqz h LEU 158 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2cqz h LEU 158 CO -0.69 0.00 -0.07 0.77 -0.34 0.00 0.00 178.44 178.11 2cqz h SER 159 N 0.00 0.00 -1.10 1.25 4.64 -1.43 -2.28 113.55 114.63 2cqz h SER 159 Ca 0.34 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.96 2cqz h SER 159 Cb 1.78 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.81 2cqz h SER 159 CO -0.00 0.07 0.77 0.50 -0.87 0.00 0.00 176.83 177.30 2cqz h LYS 160 N 0.00 0.12 -0.01 4.77 3.64 -0.76 0.97 116.57 125.30 2cqz h LYS 160 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2cqz h LYS 160 Cb 0.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2cqz h LYS 160 CO 0.01 0.08 -0.14 0.66 -2.27 0.00 0.00 179.45 177.79 2cqz n TYR 161 N -4.34 0.00 -0.05 1.91 4.01 -0.86 -4.09 117.16 113.75 2cqz n TYR 161 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 2cqz n TYR 161 Cb 1.09 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 2cqz n TYR 161 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2cqz n LEU 162 N -0.70 1.54 -0.33 7.72 4.77 0.33 -4.84 117.00 125.50 2cqz n LEU 162 Ca 0.15 -1.54 0.25 0.00 -0.03 0.00 0.00 56.01 54.83 2cqz n LEU 162 Cb 0.30 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.86 2cqz n LEU 162 CO 0.23 0.39 0.97 1.05 -1.33 0.00 0.00 177.39 178.70 2cqz h GLU 163 N 0.00 0.03 -0.65 3.23 4.11 -1.58 0.16 114.58 119.89 2cqz h GLU 163 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2cqz h GLU 163 Cb 0.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2cqz h GLU 163 CO 0.00 0.02 0.31 0.38 0.07 0.00 0.00 179.01 179.80 2cqz h ASP 164 N 0.04 0.85 0.17 3.06 2.03 -1.91 -2.03 116.42 118.63 2cqz h ASP 164 Ca 0.75 -0.13 -0.01 0.00 -0.73 0.00 0.00 57.03 56.91 2cqz h ASP 164 Cb 1.82 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 40.10 2cqz h ASP 164 CO -0.81 0.74 -0.08 0.40 -1.03 0.00 0.00 179.24 178.46 2cqz h ILE 165 N 0.90 0.94 -0.83 4.15 2.04 -1.08 -2.83 117.51 120.80 2cqz h ILE 165 Ca 0.22 -0.70 0.23 0.00 1.00 0.00 0.00 64.86 65.61 2cqz h ILE 165 Cb 0.12 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2cqz h ILE 165 CO -0.03 0.16 0.58 -0.07 0.00 0.00 0.00 178.15 178.79 2cqz h LEU 166 N -0.58 0.10 -0.37 1.44 3.38 -1.27 0.15 115.31 118.16 2cqz h LEU 166 Ca -0.02 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2cqz h LEU 166 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2cqz h LEU 166 CO 0.04 0.04 -0.39 0.78 0.09 0.00 0.00 178.44 179.00 2cqz h ASN 167 N 0.10 0.99 -0.71 -0.43 -0.26 -1.19 -1.55 115.58 112.52 2cqz h ASN 167 Ca 0.40 -0.47 -0.05 0.00 -0.56 0.00 0.00 56.30 55.62 2cqz h ASN 167 Cb 1.45 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 38.40 2cqz h ASN 167 CO -0.04 1.26 0.26 0.28 -1.06 0.00 0.00 177.43 178.12 2cqz h SER 168 N 0.74 1.00 0.82 5.81 0.02 -0.50 -1.27 113.55 120.17 2cqz h SER 168 Ca 0.06 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 2cqz h SER 168 Cb 0.98 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2cqz h SER 168 CO 0.10 0.92 -0.39 0.58 -1.14 0.00 0.00 176.83 176.89 2cqz h VAL 169 N 1.03 0.18 0.00 2.27 2.07 -1.18 -2.03 116.25 118.60 2cqz h VAL 169 Ca 0.23 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2cqz h VAL 169 Cb 0.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2cqz h VAL 169 CO -0.01 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.83 2cqz h GLY 170 N -1.12 0.00 2.00 2.17 0.00 -1.19 0.26 103.07 105.19 2cqz h GLY 170 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2cqz h GLY 170 CO 0.18 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.63 2cqz h ARG 171 N 0.00 0.00 -0.03 4.80 2.43 -0.49 -3.20 114.38 117.88 2cqz h ARG 171 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2cqz h ARG 171 Cb 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2cqz h ARG 171 CO 0.00 0.00 -0.60 -0.07 -1.51 0.00 0.00 179.97 177.79 2cqz h LEU 172 N 0.00 0.12 0.00 3.80 3.38 -0.18 -3.51 115.31 118.92 2cqz h LEU 172 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2cqz h LEU 172 Cb 0.87 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2cqz h LEU 172 CO 0.00 0.69 0.00 1.17 0.09 0.00 0.00 178.44 180.39