#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 1.04 -0.37 3.17 5.03 -2.05 -2.43 117.51 121.90 2cqz h ILE 2 Ca 0.00 -0.18 -0.05 0.00 -0.12 0.00 0.00 64.86 64.51 2cqz h ILE 2 Cb 0.00 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 2cqz h ILE 2 CO 0.00 0.10 0.05 -0.08 -0.68 0.00 0.00 178.15 177.54 2cqz h GLU 3 N 0.53 0.63 -0.18 2.37 4.81 -2.05 -1.75 114.58 118.93 2cqz h GLU 3 Ca 0.19 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2cqz h GLU 3 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2cqz h GLU 3 CO -0.05 0.70 0.08 -0.22 -0.73 0.00 0.00 179.01 178.79 2cqz h LYS 4 N 0.46 0.27 -0.73 1.92 1.63 -1.90 -1.70 116.57 116.52 2cqz h LYS 4 Ca 0.11 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 2cqz h LYS 4 Cb 0.38 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 2cqz h LYS 4 CO 0.01 0.32 0.47 0.82 -3.45 0.00 0.00 179.45 177.62 2cqz h ILE 5 N 0.15 1.12 -0.74 2.00 2.04 -1.38 -1.36 117.51 119.34 2cqz h ILE 5 Ca 0.06 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2cqz h ILE 5 Cb 0.15 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2cqz h ILE 5 CO -0.01 0.17 0.29 -0.07 0.00 0.00 0.00 178.15 178.53 2cqz h LEU 6 N 0.92 1.02 0.28 1.44 3.38 -1.17 -1.22 115.31 119.95 2cqz h LEU 6 Ca 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2cqz h LEU 6 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2cqz h LEU 6 CO -0.10 0.91 -0.17 0.25 0.09 0.00 0.00 178.44 179.42 2cqz h LEU 7 N 1.08 -0.42 -1.95 1.67 5.85 -0.51 -2.50 115.31 118.53 2cqz h LEU 7 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2cqz h LEU 7 Cb 0.22 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2cqz h LEU 7 CO -0.02 -0.28 -0.11 0.58 -0.34 0.00 0.00 178.44 178.28 2cqz h VAL 8 N -0.43 0.53 0.00 1.05 2.07 -1.06 -1.45 116.25 116.96 2cqz h VAL 8 Ca -0.03 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2cqz h VAL 8 Cb 0.36 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2cqz h VAL 8 CO 0.03 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2cqz n GLN 9 N -3.62 0.13 0.21 1.57 6.02 -0.48 -1.90 117.38 119.31 2cqz n GLN 9 Ca -0.02 0.42 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 2cqz n GLN 9 Cb 0.23 -1.77 0.59 0.00 1.02 0.00 0.00 30.24 30.31 2cqz n GLN 9 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2cqz h THR 10 N 0.00 1.03 -0.78 5.09 2.02 -1.22 -1.55 112.91 117.51 2cqz h THR 10 Ca 0.00 -0.08 0.21 0.00 0.77 0.00 0.00 66.41 67.30 2cqz h THR 10 Cb 0.26 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2cqz h THR 10 CO 0.00 0.03 0.54 -0.07 0.37 0.00 0.00 175.52 176.40 2cqz h LEU 11 N 0.10 0.14 -1.93 2.58 3.38 -1.57 0.54 115.31 118.55 2cqz h LEU 11 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2cqz h LEU 11 Cb 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2cqz h LEU 11 CO -0.00 0.06 -0.10 0.11 0.09 0.00 0.00 178.44 178.60 2cqz h LYS 12 N 0.14 0.00 0.00 1.13 1.57 -1.49 -2.66 116.57 115.25 2cqz h LYS 12 Ca 0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2cqz h LYS 12 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2cqz h LYS 12 CO -0.06 0.10 -2.00 0.54 -0.57 0.00 0.00 179.45 177.46 2cqz n ARG 13 N -3.48 0.66 -2.94 3.15 1.74 0.18 -4.80 116.66 111.17 2cqz n ARG 13 Ca -0.01 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 2cqz n ARG 13 Cb 0.24 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -5.29 4.42 0.45 0.55 1.43 -0.78 -4.99 118.68 114.46 2cqz s LEU 14 Ca -0.07 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.25 2cqz s LEU 14 Cb 0.09 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 2cqz s LEU 14 CO 0.85 -0.05 1.03 -2.16 0.23 0.00 0.00 176.35 176.25 2cqz s PRO 15 N 0.25 3.99 -0.58 1.29 0.04 -1.26 -1.02 135.00 137.71 2cqz s PRO 15 Ca 0.41 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2cqz s PRO 15 Cb -0.20 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.08 2cqz s PRO 15 CO 0.23 -0.27 1.36 1.03 0.04 0.00 0.00 177.00 179.39 2cqz s ARG 16 N -2.94 3.32 0.42 4.56 1.81 -0.58 -4.51 118.95 121.03 2cqz s ARG 16 Ca 0.63 0.34 0.11 0.00 -1.72 0.00 0.00 55.73 55.09 2cqz s ARG 16 Cb -0.17 -4.11 0.90 0.00 -0.45 0.00 0.00 34.95 31.11 2cqz s ARG 16 CO 0.22 -1.92 1.98 0.52 -0.68 0.00 0.00 175.30 175.42 2cqz h MET 17 N 10.71 0.22 -0.65 3.54 2.86 -1.91 -2.85 114.93 126.85 2cqz h MET 17 Ca -0.26 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.46 2cqz h MET 17 Cb 1.08 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.62 2cqz h MET 17 CO 1.19 0.29 0.19 0.78 1.06 0.00 0.00 176.91 180.42 2cqz h GLY 18 N 0.57 0.90 0.82 8.32 0.00 -1.91 -1.71 103.07 110.04 2cqz h GLY 18 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.33 2cqz h GLY 18 CO 0.01 -0.10 0.17 1.49 0.00 0.00 0.00 176.54 178.11 2cqz h TRP 19 N 0.34 0.31 -0.01 5.60 -0.00 -1.89 -2.13 115.95 118.18 2cqz h TRP 19 Ca 0.35 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.27 2cqz h TRP 19 Cb 0.51 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.54 2cqz h TRP 19 CO -0.21 0.17 -0.14 -0.07 -0.00 0.00 0.00 178.44 178.18 2cqz h LEU 20 N 0.35 -0.42 -1.75 -4.49 3.38 -1.45 0.12 115.31 111.05 2cqz h LEU 20 Ca 0.15 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2cqz h LEU 20 Cb 0.07 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2cqz h LEU 20 CO -0.11 -0.20 0.40 0.40 0.09 0.00 0.00 178.44 179.02 2cqz h ILE 21 N -0.24 0.83 -0.01 1.22 2.04 -1.17 0.26 117.51 120.45 2cqz h ILE 21 Ca 0.05 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2cqz h ILE 21 Cb 0.31 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2cqz h ILE 21 CO -0.15 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.34 2cqz n LYS 22 N -4.45 1.23 -0.46 2.37 4.76 -0.41 -4.90 118.16 116.30 2cqz n LYS 22 Ca 0.10 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 2cqz n LYS 22 Cb 0.46 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 1.04 0.77 3.66 0.72 0.00 0.93 -4.83 105.19 107.48 2cqz n GLY 23 Ca 0.22 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 4.11 0.00 1.61 1.01 -0.10 -4.95 120.40 120.07 2cqz s VAL 24 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2cqz s VAL 24 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2cqz s VAL 24 CO 0.00 -0.10 0.89 0.00 0.00 0.00 0.00 175.10 175.89 2cqz n GLN 25 N 6.51 0.00 -3.49 2.72 0.00 -1.26 -4.15 117.38 117.71 2cqz n GLN 25 Ca 0.14 0.63 -0.42 0.00 0.00 0.00 0.00 57.00 57.36 2cqz n GLN 25 Cb 0.44 -1.39 -0.04 0.00 0.00 0.00 0.00 30.24 29.25 2cqz n GLN 25 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2cqz s GLU 26 N -2.55 3.46 0.51 2.61 2.02 -1.26 -5.04 118.70 118.45 2cqz s GLU 26 Ca 0.00 -2.88 -0.19 0.00 0.02 0.00 0.00 54.97 51.92 2cqz s GLU 26 Cb 0.00 -4.20 -0.07 0.00 0.10 0.00 0.00 34.13 29.96 2cqz s GLU 26 CO 0.00 -1.25 1.03 -1.25 0.02 0.00 0.00 175.26 173.81 2cqz s PRO 27 N -0.64 3.74 0.69 0.39 0.04 -1.26 -5.00 135.00 132.96 2cqz s PRO 27 Ca 0.23 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 2cqz s PRO 27 Cb -0.11 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.35 2cqz s PRO 27 CO -0.08 -0.47 1.21 -1.83 0.04 0.00 0.00 177.00 175.86 2cqz s GLU 28 N -3.54 2.41 0.76 4.56 -1.05 -1.26 -4.78 118.70 115.80 2cqz s GLU 28 Ca 0.65 1.77 -0.09 0.00 -0.15 0.00 0.00 54.97 57.15 2cqz s GLU 28 Cb -0.15 -1.86 0.09 0.00 -0.44 0.00 0.00 34.13 31.77 2cqz s GLU 28 CO 0.25 -1.63 1.09 -1.54 0.95 0.00 0.00 175.26 174.38 2cqz s SER 29 N -1.93 4.49 0.34 0.83 1.04 -1.26 -1.52 113.70 115.69 2cqz s SER 29 Ca 0.75 0.45 0.09 0.00 0.48 0.00 0.00 55.95 57.72 2cqz s SER 29 Cb -0.29 -0.97 0.61 0.00 0.10 0.00 0.00 66.02 65.47 2cqz s SER 29 CO 0.42 -1.83 1.80 0.40 0.98 0.00 0.00 173.24 175.00 2cqz h ILE 30 N -0.83 1.26 -0.43 -1.02 2.04 -0.80 -2.27 117.51 115.46 2cqz h ILE 30 Ca -0.44 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.11 2cqz h ILE 30 Cb 1.31 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2cqz h ILE 30 CO 0.57 0.37 -0.01 0.00 0.00 0.00 0.00 178.15 179.08 2cqz h ALA 31 N 1.51 0.58 -0.08 1.87 0.00 -1.75 0.52 119.26 121.90 2cqz h ALA 31 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2cqz h ALA 31 Cb 0.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2cqz h ALA 31 CO 0.05 0.37 -0.05 -0.44 0.00 0.00 0.00 179.25 179.18 2cqz h ASP 32 N 0.60 -0.16 -0.45 0.00 3.32 -1.78 -0.30 116.42 117.65 2cqz h ASP 32 Ca 0.12 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2cqz h ASP 32 Cb 0.50 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2cqz h ASP 32 CO 0.02 -0.07 0.27 -0.74 -1.72 0.00 0.00 179.24 177.00 2cqz h HIS 33 N -0.05 0.50 -0.90 4.55 2.76 -1.21 -2.22 115.15 118.57 2cqz h HIS 33 Ca 0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2cqz h HIS 33 Cb 0.13 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 2cqz h HIS 33 CO -0.16 0.29 0.54 0.77 -1.30 0.00 0.00 177.93 178.07 2cqz h SER 34 N 0.54 1.08 0.16 3.26 0.02 -0.41 -1.07 113.55 117.12 2cqz h SER 34 Ca 0.18 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2cqz h SER 34 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2cqz h SER 34 CO -0.08 0.83 -0.12 0.15 -1.14 0.00 0.00 176.83 176.47 2cqz h PHE 35 N 1.24 -0.32 -0.98 3.45 3.04 -0.72 -0.15 116.94 122.50 2cqz h PHE 35 Ca 0.32 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.40 2cqz h PHE 35 Cb -0.05 0.12 -0.09 0.00 2.56 0.00 0.00 35.95 38.50 2cqz h PHE 35 CO 0.01 -0.19 0.61 0.78 -2.02 0.00 0.00 178.31 177.49 2cqz h GLY 36 N -0.29 1.63 1.07 2.40 0.00 -0.96 0.18 103.07 107.09 2cqz h GLY 36 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2cqz h GLY 36 CO -0.01 0.12 0.05 -2.08 0.00 0.00 0.00 176.54 174.62 2cqz h VAL 37 N 0.94 1.26 -0.43 4.60 2.07 -0.76 -0.77 116.25 123.16 2cqz h VAL 37 Ca 0.50 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2cqz h VAL 37 Cb 0.54 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2cqz h VAL 37 CO -0.28 0.40 0.10 0.00 0.02 0.00 0.00 177.57 177.81 2cqz h ALA 38 N 1.01 0.57 0.13 1.67 0.00 0.76 -0.04 119.26 123.36 2cqz h ALA 38 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2cqz h ALA 38 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2cqz h ALA 38 CO 0.02 0.25 -0.06 0.35 0.00 0.00 0.00 179.25 179.81 2cqz h PHE 39 N 0.56 -0.16 -0.59 0.00 3.57 -0.58 -1.94 116.94 117.80 2cqz h PHE 39 Ca 0.13 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2cqz h PHE 39 Cb 0.32 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2cqz h PHE 39 CO 0.02 0.11 0.39 0.82 -2.23 0.00 0.00 178.31 177.42 2cqz h ILE 40 N -0.44 1.07 -0.51 1.41 2.04 -1.11 0.34 117.51 120.30 2cqz h ILE 40 Ca -0.02 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2cqz h ILE 40 Cb 0.35 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2cqz h ILE 40 CO 0.03 0.12 0.00 0.74 0.00 0.00 0.00 178.15 179.05 2cqz h THR 41 N 0.68 1.26 0.83 -0.27 2.02 -0.88 -0.32 112.91 116.24 2cqz h THR 41 Ca 0.24 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2cqz h THR 41 Cb 0.09 0.95 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2cqz h THR 41 CO -0.06 0.38 -0.40 0.25 0.37 0.00 0.00 175.52 176.06 2cqz h LEU 42 N 0.77 -0.95 -0.56 2.58 5.85 -0.27 -1.33 115.31 121.41 2cqz h LEU 42 Ca 0.15 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2cqz h LEU 42 Cb 0.52 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 2cqz h LEU 42 CO 0.03 -0.68 -0.16 0.58 -0.34 0.00 0.00 178.44 177.87 2cqz h VAL 43 N -1.12 0.40 -0.15 1.05 2.07 -0.97 -1.10 116.25 116.44 2cqz h VAL 43 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2cqz h VAL 43 Cb 0.86 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2cqz h VAL 43 CO 0.19 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.53 2cqz h LEU 44 N -0.02 0.23 -0.59 2.57 3.38 -1.05 -2.70 115.31 117.14 2cqz h LEU 44 Ca 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2cqz h LEU 44 Cb 0.43 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2cqz h LEU 44 CO -0.59 0.43 0.37 0.00 0.09 0.00 0.00 178.44 178.74 2cqz h ALA 45 N 1.59 0.75 -0.58 1.53 0.00 0.00 -0.63 119.26 121.92 2cqz h ALA 45 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2cqz h ALA 45 Cb 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2cqz h ALA 45 CO 0.03 0.21 0.28 -0.44 0.00 0.00 0.00 179.25 179.34 2cqz h ASP 46 N 0.79 0.75 -0.32 0.00 3.45 -1.16 0.79 116.42 120.72 2cqz h ASP 46 Ca 0.21 -0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.57 2cqz h ASP 46 Cb -0.04 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 2cqz h ASP 46 CO -0.04 0.67 0.16 0.58 -1.57 0.00 0.00 179.24 179.04 2cqz h VAL 47 N 0.79 0.99 -0.63 -1.35 2.07 -1.18 -1.44 116.25 115.49 2cqz h VAL 47 Ca 0.20 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2cqz h VAL 47 Cb 0.11 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2cqz h VAL 47 CO -0.03 0.06 0.19 -0.07 0.02 0.00 0.00 177.57 177.74 2cqz h LEU 48 N 0.34 0.90 0.10 2.57 3.38 -0.85 -2.90 115.31 118.85 2cqz h LEU 48 Ca 0.13 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2cqz h LEU 48 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2cqz h LEU 48 CO -0.09 0.85 -0.25 -0.08 0.09 0.00 0.00 178.44 178.96 2cqz h GLU 49 N 0.93 -0.42 -0.16 1.13 4.57 -0.03 -0.85 114.58 119.75 2cqz h GLU 49 Ca 0.21 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2cqz h GLU 49 Cb 0.28 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2cqz h GLU 49 CO -0.01 -0.28 0.00 0.36 -1.18 0.00 0.00 179.01 177.90 2cqz n LYS 50 N -5.37 1.05 -0.07 1.92 2.85 -0.62 -2.69 118.16 115.23 2cqz n LYS 50 Ca -0.06 -0.07 0.09 0.00 -1.05 0.00 0.00 58.31 57.22 2cqz n LYS 50 Cb 0.28 -1.09 0.12 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.38 1.54 0.00 -1.58 1.74 -0.78 -4.98 116.66 112.21 2cqz n ARG 51 Ca 0.01 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 2cqz n ARG 51 Cb 0.05 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.30 2.65 3.57 -0.13 0.00 -1.10 -5.00 105.19 103.89 2cqz n GLY 52 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.14 3.65 0.09 1.61 2.47 -0.39 -5.01 119.74 122.02 2cqz s LYS 53 Ca 0.00 0.19 -0.28 0.00 -1.56 0.00 0.00 55.97 54.33 2cqz s LYS 53 Cb 0.00 -3.85 -0.06 0.00 -1.46 0.00 0.00 37.83 32.46 2cqz s LYS 53 CO 0.00 -0.94 0.87 0.50 0.16 0.00 0.00 175.35 175.93 2cqz s ARG 54 N 3.19 4.61 -0.02 4.03 3.52 -1.26 -3.42 118.95 129.60 2cqz s ARG 54 Ca 0.31 1.27 0.05 0.00 -0.13 0.00 0.00 55.73 57.23 2cqz s ARG 54 Cb -0.13 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2cqz s ARG 54 CO 0.19 0.28 -0.16 0.42 -0.81 0.00 0.00 175.30 175.22 2cqz s ILE 55 N -0.14 1.29 -1.22 4.11 -1.09 -1.26 -5.01 121.20 117.87 2cqz s ILE 55 Ca 0.42 -0.68 -0.19 0.00 -2.23 0.00 0.00 60.65 57.97 2cqz s ILE 55 Cb -0.22 -1.09 0.06 0.00 -1.58 0.00 0.00 42.46 39.63 2cqz s ILE 55 CO 0.27 0.37 1.68 -0.62 -1.23 0.00 0.00 174.94 175.40 2cqz s ASP 56 N -0.24 6.68 0.35 3.58 -1.08 -1.26 -4.80 116.67 119.90 2cqz s ASP 56 Ca 0.03 -2.16 0.11 0.00 -0.52 0.00 0.00 52.55 50.01 2cqz s ASP 56 Cb -0.08 -2.58 0.88 0.00 -1.46 0.00 0.00 42.92 39.69 2cqz s ASP 56 CO 0.00 -1.33 1.81 0.58 0.52 0.00 0.00 175.17 176.74 2cqz h VAL 57 N 5.92 0.69 -0.03 1.11 2.07 -1.98 -1.51 116.25 122.51 2cqz h VAL 57 Ca 0.38 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2cqz h VAL 57 Cb 0.91 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2cqz h VAL 57 CO 1.44 0.11 0.02 -0.08 0.02 0.00 0.00 177.57 179.08 2cqz h GLU 58 N 0.62 0.04 -0.56 1.57 4.81 -2.00 -0.52 114.58 118.54 2cqz h GLU 58 Ca 0.54 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 2cqz h GLU 58 Cb 1.03 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 2cqz h GLU 58 CO -0.30 0.04 0.29 -0.22 -0.73 0.00 0.00 179.01 178.09 2cqz h LYS 59 N 0.02 0.80 -0.23 1.92 3.64 -1.76 -1.61 116.57 119.35 2cqz h LYS 59 Ca 0.01 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2cqz h LYS 59 Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2cqz h LYS 59 CO -0.00 0.63 0.08 0.00 -2.27 0.00 0.00 179.45 177.89 2cqz h ALA 60 N 1.12 0.26 -0.50 5.00 0.00 -1.09 0.18 119.26 124.23 2cqz h ALA 60 Ca 0.20 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2cqz h ALA 60 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2cqz h ALA 60 CO -0.03 -0.34 -0.03 -0.07 0.00 0.00 0.00 179.25 178.78 2cqz h LEU 61 N 0.18 0.84 -0.22 0.00 3.38 -0.95 -0.36 115.31 118.19 2cqz h LEU 61 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2cqz h LEU 61 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2cqz h LEU 61 CO -0.11 0.93 0.02 0.11 0.09 0.00 0.00 178.44 179.48 2cqz h LYS 62 N 0.80 0.37 -0.65 1.13 1.57 -0.97 -2.02 116.57 116.80 2cqz h LYS 62 Ca 0.15 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2cqz h LYS 62 Cb 0.52 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2cqz h LYS 62 CO 0.03 0.53 0.43 1.98 -0.57 0.00 0.00 179.45 181.85 2cqz h MET 63 N 0.15 0.74 -0.01 3.15 4.05 -0.37 -1.59 114.93 121.05 2cqz h MET 63 Ca 0.06 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2cqz h MET 63 Cb 0.35 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2cqz h MET 63 CO 0.01 0.49 -0.74 0.00 0.23 0.00 0.00 176.91 176.89 2cqz h ALA 64 N 1.62 0.74 -0.21 0.39 0.00 -0.91 -1.79 119.26 119.10 2cqz h ALA 64 Ca 0.26 -0.66 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 2cqz h ALA 64 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2cqz h ALA 64 CO -0.07 0.88 -0.65 0.82 0.00 0.00 0.00 179.25 180.23 2cqz h ILE 65 N 0.06 1.29 -0.10 0.00 2.04 -0.56 -3.32 117.51 116.92 2cqz h ILE 65 Ca -0.02 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2cqz h ILE 65 Cb 1.31 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2cqz h ILE 65 CO 0.10 0.59 0.00 1.33 0.00 0.00 0.00 178.15 180.18 2cqz n VAL 66 N -3.96 0.13 -0.21 1.67 0.24 -0.83 -4.61 118.33 110.76 2cqz n VAL 66 Ca -0.05 -0.56 0.11 0.00 -2.04 0.00 0.00 64.34 61.79 2cqz n VAL 66 Cb 0.67 1.30 0.40 0.00 -1.47 0.00 0.00 33.84 34.74 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 3.87 0.71 -0.34 6.34 2.07 -1.42 -1.45 115.15 124.93 2cqz h HIS 67 Ca 0.00 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.42 2cqz h HIS 67 Cb 0.84 -0.23 -0.07 0.00 2.57 0.00 0.00 27.41 30.52 2cqz h HIS 67 CO 0.05 0.31 -0.00 -0.25 -3.07 0.00 0.00 177.93 174.97 2cqz n ASP 68 N -4.51 3.16 0.07 3.10 8.00 -1.26 -4.73 116.55 120.39 2cqz n ASP 68 Ca 0.14 -3.42 0.02 0.00 0.71 0.00 0.00 54.79 52.24 2cqz n ASP 68 Cb 0.38 -0.60 0.38 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.34 0.33 -2.33 0.64 5.85 -1.54 -2.53 115.31 117.06 2cqz h LEU 69 Ca 0.14 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2cqz h LEU 69 Cb 1.62 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 2cqz h LEU 69 CO 0.35 0.41 -0.04 0.00 -0.34 0.00 0.00 178.44 178.82 2cqz h ALA 70 N 1.64 1.40 0.00 1.25 0.00 -1.85 -1.65 119.26 120.05 2cqz h ALA 70 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cqz h ALA 70 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cqz h ALA 70 CO 0.01 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.70 2cqz n GLU 71 N -3.71 0.08 0.26 0.00 1.02 -0.95 -1.14 120.64 116.20 2cqz n GLU 71 Ca -0.03 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2cqz n GLU 71 Cb 0.13 -1.67 0.70 0.00 -0.02 0.00 0.00 31.44 30.58 2cqz n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cqz h ALA 72 N 2.27 1.28 0.00 0.62 0.00 -1.48 -1.60 119.26 120.35 2cqz h ALA 72 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 2cqz h ALA 72 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2cqz h ALA 72 CO 0.00 0.16 -2.17 -0.89 0.00 0.00 0.00 179.25 176.35 2cqz n ILE 73 N -3.65 1.16 1.12 0.00 5.41 -0.29 -4.72 119.36 118.39 2cqz n ILE 73 Ca -0.02 -0.37 0.12 0.00 1.00 0.00 0.00 62.75 63.48 2cqz n ILE 73 Cb 0.25 -1.49 0.17 0.00 -0.71 0.00 0.00 39.64 37.86 2cqz n ILE 73 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2cqz n ILE 74 N -3.51 0.00 -0.76 1.39 -5.35 -0.97 -5.08 119.36 105.07 2cqz n ILE 74 Ca -0.39 -0.25 0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2cqz n ILE 74 Cb 0.84 0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 39.67 2cqz n ILE 74 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2cqz n THR 75 N -0.01 0.00 -2.40 7.28 -2.24 -0.60 -4.51 114.28 111.80 2cqz n THR 75 Ca 0.12 0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.72 2cqz n THR 75 Cb 0.44 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.45 4.72 -4.62 3.42 2.03 -1.26 -4.74 116.55 112.65 2cqz n ASP 76 Ca -0.02 -2.92 -0.43 0.00 0.52 0.00 0.00 54.79 51.94 2cqz n ASP 76 Cb 0.36 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.04 2cqz n ASP 76 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2cqz s ILE 77 N 3.40 3.26 0.82 5.18 1.01 -1.26 -3.99 121.20 129.62 2cqz s ILE 77 Ca 0.50 0.28 -0.14 0.00 0.00 0.00 0.00 60.65 61.29 2cqz s ILE 77 Cb 0.06 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.27 2cqz s ILE 77 CO 0.02 -0.14 0.77 -0.81 0.00 0.00 0.00 174.94 174.78 2cqz n PRO 78 N 8.18 0.08 0.06 2.79 -0.04 -1.26 -4.82 135.00 139.99 2cqz n PRO 78 Ca 0.24 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 2cqz n PRO 78 Cb 0.45 -2.08 0.41 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.93 0.36 -2.07 1.53 6.46 -1.98 -1.19 115.31 117.49 2cqz h LEU 79 Ca -0.45 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 2cqz h LEU 79 Cb 1.31 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2cqz h LEU 79 CO 0.42 0.37 -0.04 0.77 -0.62 0.00 0.00 178.44 179.33 2cqz h SER 80 N 0.40 0.00 0.19 1.25 4.64 -2.02 -2.53 113.55 115.48 2cqz h SER 80 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2cqz h SER 80 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2cqz h SER 80 CO -0.00 0.04 -1.44 0.00 -0.87 0.00 0.00 176.83 174.57 2cqz n ALA 81 N -2.15 3.38 0.85 5.18 0.00 -0.48 -4.40 120.51 122.89 2cqz n ALA 81 Ca -0.01 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.01 2cqz n ALA 81 Cb 0.21 -0.84 0.40 0.00 0.00 0.00 0.00 19.45 19.22 2cqz n ALA 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cqz n GLN 82 N -2.04 0.42 0.05 0.00 6.02 -0.95 -1.58 117.38 119.30 2cqz n GLN 82 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2cqz n GLN 82 Cb 0.48 -1.49 0.29 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.99 0.18 -0.00 -1.09 2.13 -1.26 -3.84 120.64 115.77 2cqz n GLU 83 Ca 0.10 0.08 0.02 0.00 0.66 0.00 0.00 57.16 58.02 2cqz n GLU 83 Cb 0.05 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.08 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 -1.92 0.00 -4.71 4.31 3.72 -0.61 -5.01 117.46 113.24 2cqz n PHE 84 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.19 2cqz n PHE 84 Cb 0.40 -0.09 -0.14 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.16 1.57 -1.07 -4.37 1.01 -0.97 -5.07 120.40 109.35 2cqz s VAL 85 Ca -0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 2cqz s VAL 85 Cb 0.03 -1.35 0.26 0.00 0.00 0.00 0.00 36.38 35.32 2cqz s VAL 85 CO 0.19 0.26 1.07 -0.62 0.00 0.00 0.00 175.10 176.00 2cqz s ASP 86 N -0.95 7.20 0.26 3.32 -1.08 -1.26 -4.44 116.67 119.72 2cqz s ASP 86 Ca 0.07 -3.38 -0.02 0.00 -0.52 0.00 0.00 52.55 48.69 2cqz s ASP 86 Cb -0.08 -2.22 0.47 0.00 -1.46 0.00 0.00 42.92 39.62 2cqz s ASP 86 CO 0.01 -0.38 1.80 0.50 0.52 0.00 0.00 175.17 177.62 2cqz h LYS 87 N 6.92 0.76 -0.16 4.34 3.64 -1.96 -2.45 116.57 127.65 2cqz h LYS 87 Ca 0.17 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2cqz h LYS 87 Cb 0.91 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 2cqz h LYS 87 CO 0.98 0.50 -0.13 -0.44 -2.27 0.00 0.00 179.45 178.10 2cqz h ASP 88 N 0.78 -0.40 -0.69 4.20 3.32 -1.99 0.18 116.42 121.82 2cqz h ASP 88 Ca 0.44 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.59 2cqz h ASP 88 Cb 0.47 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2cqz h ASP 88 CO -0.28 -0.17 0.44 0.50 -1.72 0.00 0.00 179.24 178.01 2cqz h LYS 89 N -0.14 0.85 -0.58 3.56 3.64 -1.89 -1.81 116.57 120.20 2cqz h LYS 89 Ca 0.10 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2cqz h LYS 89 Cb 0.29 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2cqz h LYS 89 CO -0.24 0.56 0.30 0.00 -2.27 0.00 0.00 179.45 177.80 2cqz h ALA 90 N 1.28 0.75 -0.02 5.00 0.00 -0.90 -2.48 119.26 122.90 2cqz h ALA 90 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cqz h ALA 90 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2cqz h ALA 90 CO -0.09 0.29 0.01 0.93 0.00 0.00 0.00 179.25 180.39 2cqz h GLU 91 N 0.79 0.03 -0.95 0.00 5.08 -0.15 -2.25 114.58 117.13 2cqz h GLU 91 Ca 0.20 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 2cqz h GLU 91 Cb 0.08 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2cqz h GLU 91 CO -0.03 0.08 0.59 0.00 -1.00 0.00 0.00 179.01 178.65 2cqz h ALA 92 N 0.94 1.41 0.30 3.43 0.00 -1.27 -1.08 119.26 122.99 2cqz h ALA 92 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2cqz h ALA 92 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2cqz h ALA 92 CO -0.00 0.21 -0.15 -0.07 0.00 0.00 0.00 179.25 179.25 2cqz h LEU 93 N 0.96 -0.34 -0.83 0.00 3.38 -1.13 -0.30 115.31 117.05 2cqz h LEU 93 Ca 0.46 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.51 2cqz h LEU 93 Cb 0.42 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 2cqz h LEU 93 CO -0.25 -0.16 0.43 0.58 0.09 0.00 0.00 178.44 179.12 2cqz h VAL 94 N -0.51 0.76 -0.64 1.22 2.07 -0.95 0.16 116.25 118.35 2cqz h VAL 94 Ca -0.04 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2cqz h VAL 94 Cb 0.38 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2cqz h VAL 94 CO 0.07 0.12 0.11 -0.26 0.02 0.00 0.00 177.57 177.62 2cqz h PHE 95 N 0.64 1.12 -0.25 1.57 0.04 -0.95 1.06 116.94 120.17 2cqz h PHE 95 Ca 0.44 -0.15 -0.14 0.00 2.80 0.00 0.00 57.97 60.92 2cqz h PHE 95 Cb 0.58 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2cqz h PHE 95 CO -0.09 0.95 -0.41 0.87 -0.60 0.00 0.00 178.31 179.03 2cqz h LYS 96 N 0.97 0.61 0.07 1.51 1.57 0.01 -0.34 116.57 120.98 2cqz h LYS 96 Ca 0.20 -0.31 -0.37 0.00 -1.87 0.00 0.00 60.65 58.29 2cqz h LYS 96 Cb 0.43 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2cqz h LYS 96 CO 0.01 0.91 -2.17 1.17 -0.57 0.00 0.00 179.45 178.80 2cqz n LYS 97 N -4.03 0.71 -0.10 3.15 4.81 0.44 -4.38 118.16 118.77 2cqz n LYS 97 Ca -0.02 0.23 -0.11 0.00 -0.87 0.00 0.00 58.31 57.54 2cqz n LYS 97 Cb 0.52 -1.64 -0.13 0.00 0.02 0.00 0.00 35.03 33.80 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 -3.44 1.27 -2.56 3.15 0.31 0.36 -4.64 118.33 112.79 2cqz n VAL 98 Ca -0.38 -0.71 -0.25 0.00 -0.01 0.00 0.00 64.34 63.00 2cqz n VAL 98 Cb 1.01 -0.71 -0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.80 3.15 0.08 3.52 3.72 -0.91 -4.88 117.46 119.34 2cqz n PHE 99 Ca -0.33 -3.17 0.08 0.00 -0.05 0.00 0.00 57.45 53.99 2cqz n PHE 99 Cb 1.06 -0.16 0.54 0.00 -0.94 0.00 0.00 39.48 39.97 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 2.68 0.27 0.00 -1.08 0.13 -1.28 0.62 132.00 133.34 2cqz h PRO 100 Ca 0.23 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 2cqz h PRO 100 Cb 0.91 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2cqz h PRO 100 CO 0.80 0.18 -0.08 1.05 -0.23 0.00 0.00 178.00 179.72 2cqz h GLU 101 N 0.28 0.00 -0.25 0.86 9.09 -1.90 -2.66 114.58 120.01 2cqz h GLU 101 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2cqz h GLU 101 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2cqz h GLU 101 CO -0.03 0.08 0.00 1.19 0.05 0.00 0.00 179.01 180.30 2cqz n PHE 102 N -3.31 0.32 -0.21 2.06 3.72 0.15 -4.71 117.46 115.47 2cqz n PHE 102 Ca -0.01 -0.31 -0.03 0.00 -0.05 0.00 0.00 57.45 57.05 2cqz n PHE 102 Cb 0.27 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.88 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 2.33 0.64 0.00 1.38 3.20 -1.01 -1.68 116.97 121.82 2cqz h TYR 103 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2cqz h TYR 103 Cb 0.67 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2cqz h TYR 103 CO 0.16 0.31 -0.24 0.93 -1.64 0.00 0.00 178.16 177.69 2cqz h GLU 104 N 0.65 0.00 -0.05 1.82 3.07 -1.84 0.11 114.58 118.33 2cqz h GLU 104 Ca 0.27 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.94 2cqz h GLU 104 Cb 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2cqz h GLU 104 CO -0.17 0.24 -0.78 -0.07 -1.40 0.00 0.00 179.01 176.83 2cqz h LEU 105 N 0.00 0.47 0.09 1.33 3.38 -1.78 -1.88 115.31 116.92 2cqz h LEU 105 Ca -0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cqz h LEU 105 Cb 0.79 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2cqz h LEU 105 CO 0.03 1.08 -0.04 0.22 0.09 0.00 0.00 178.44 179.81 2cqz h TYR 106 N 0.25 -0.12 -0.85 1.13 3.20 -0.75 -2.26 116.97 117.57 2cqz h TYR 106 Ca -0.04 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2cqz h TYR 106 Cb 1.37 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 2cqz h TYR 106 CO 0.05 0.28 0.54 -0.09 -1.64 0.00 0.00 178.16 177.29 2cqz h ARG 107 N -0.55 0.99 -0.55 1.82 1.12 -0.83 -0.68 114.38 115.70 2cqz h ARG 107 Ca -0.01 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 2cqz h ARG 107 Cb 0.45 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 2cqz h ARG 107 CO 0.02 0.66 0.04 1.49 -3.11 0.00 0.00 179.97 179.07 2cqz h GLU 108 N 1.02 0.94 -0.72 0.20 4.81 -1.38 -2.46 114.58 117.00 2cqz h GLU 108 Ca 0.35 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2cqz h GLU 108 Cb 0.07 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2cqz h GLU 108 CO -0.14 0.94 0.47 -0.92 -0.73 0.00 0.00 179.01 178.63 2cqz h TYR 109 N 0.83 0.92 -0.46 0.92 3.20 -0.75 -2.58 116.97 119.05 2cqz h TYR 109 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2cqz h TYR 109 Cb 0.48 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2cqz h TYR 109 CO 0.04 0.59 0.10 1.96 -1.64 0.00 0.00 178.16 179.20 2cqz h GLN 110 N 0.98 0.69 0.00 1.82 1.08 -0.95 -2.36 115.11 116.37 2cqz h GLN 110 Ca 0.26 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2cqz h GLN 110 Cb -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2cqz h GLN 110 CO -0.05 0.64 0.00 0.93 -0.95 0.00 0.00 178.83 179.40 2cqz h GLU 111 N 0.67 0.00 -7.10 1.46 5.08 -1.03 -3.46 114.58 110.20 2cqz h GLU 111 Ca 0.15 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.89 2cqz h GLU 111 Cb 0.27 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.28 2cqz h GLU 111 CO -0.00 0.00 -0.95 0.00 -1.00 0.00 0.00 179.01 177.06 2cqz n SER 113 N -2.80 0.90 -4.76 0.00 2.88 -1.26 -4.73 113.62 103.86 2cqz n SER 113 Ca -0.23 0.11 -0.34 0.00 -1.33 0.00 0.00 58.87 57.08 2cqz n SER 113 Cb 0.65 -0.29 0.05 0.00 -0.75 0.00 0.00 64.21 63.87 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 -5.85 4.92 0.25 -3.46 1.04 -1.26 -4.81 113.70 104.53 2cqz s SER 114 Ca -0.14 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 2cqz s SER 114 Cb 0.05 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 64.07 2cqz s SER 114 CO 0.18 -1.76 1.77 -0.65 0.98 0.00 0.00 173.24 173.76 2cqz h PRO 115 N 0.15 0.59 -0.47 4.02 0.11 -1.96 -1.11 132.00 133.33 2cqz h PRO 115 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2cqz h PRO 115 Cb 1.27 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2cqz h PRO 115 CO 0.53 0.39 0.13 0.93 -0.21 0.00 0.00 178.00 179.78 2cqz h GLU 116 N 0.61 0.73 -0.32 1.05 3.07 -1.93 -0.54 114.58 117.26 2cqz h GLU 116 Ca 0.43 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2cqz h GLU 116 Cb 0.56 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2cqz h GLU 116 CO -0.34 0.71 0.18 0.00 -1.40 0.00 0.00 179.01 178.16 2cqz h ALA 117 N 0.99 0.41 -0.15 3.43 0.00 -1.61 -1.93 119.26 120.39 2cqz h ALA 117 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2cqz h ALA 117 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2cqz h ALA 117 CO -0.00 -0.07 -0.28 1.96 0.00 0.00 0.00 179.25 180.86 2cqz h GLN 118 N 0.39 0.28 -0.41 0.00 4.20 -1.16 -1.61 115.11 116.81 2cqz h GLN 118 Ca 0.11 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2cqz h GLN 118 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2cqz h GLN 118 CO -0.02 0.54 -0.11 1.25 -0.67 0.00 0.00 178.83 179.82 2cqz h LEU 119 N 0.25 0.81 -0.44 1.46 5.85 -0.81 -0.20 115.31 122.23 2cqz h LEU 119 Ca 0.04 -0.37 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 2cqz h LEU 119 Cb 0.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2cqz h LEU 119 CO 0.05 0.99 -0.25 0.58 -0.34 0.00 0.00 178.44 179.46 2cqz h VAL 120 N 0.62 1.27 -0.89 1.05 2.07 -1.20 -0.57 116.25 118.59 2cqz h VAL 120 Ca 0.10 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2cqz h VAL 120 Cb 0.64 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2cqz h VAL 120 CO 0.04 0.48 0.53 -0.09 0.02 0.00 0.00 177.57 178.56 2cqz h ARG 121 N 0.78 1.22 -0.17 1.57 9.65 -1.15 0.41 114.38 126.69 2cqz h ARG 121 Ca 0.09 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 2cqz h ARG 121 Cb 0.83 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 2cqz h ARG 121 CO 0.07 0.86 -0.39 0.82 2.80 0.00 0.00 179.97 184.13 2cqz h ILE 122 N 1.23 1.30 -0.25 1.20 2.04 -0.78 -2.29 117.51 119.96 2cqz h ILE 122 Ca 0.32 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.54 2cqz h ILE 122 Cb -0.04 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2cqz h ILE 122 CO -0.06 0.47 -0.31 0.00 0.00 0.00 0.00 178.15 178.25 2cqz h ALA 123 N 1.26 0.38 -0.23 1.87 0.00 -0.35 -1.44 119.26 120.75 2cqz h ALA 123 Ca 0.03 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.59 2cqz h ALA 123 Cb 0.84 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2cqz h ALA 123 CO 0.07 0.41 -0.25 0.22 0.00 0.00 0.00 179.25 179.70 2cqz h ASP 124 N 0.37 -0.79 -0.41 0.00 3.58 0.04 -0.99 116.42 118.22 2cqz h ASP 124 Ca 0.03 0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 2cqz h ASP 124 Cb 0.89 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 2cqz h ASP 124 CO 0.07 -0.28 -0.33 0.11 -2.88 0.00 0.00 179.24 175.93 2cqz h LYS 125 N -0.26 0.95 -0.80 0.28 1.79 -1.41 -2.84 116.57 114.28 2cqz h LYS 125 Ca 0.13 -0.48 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2cqz h LYS 125 Cb 0.46 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2cqz h LYS 125 CO -0.38 1.14 0.50 -0.07 -1.08 0.00 0.00 179.45 179.55 2cqz h LEU 126 N 0.78 0.95 -0.65 2.94 3.38 -1.00 0.24 115.31 121.96 2cqz h LEU 126 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cqz h LEU 126 Cb 0.93 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2cqz h LEU 126 CO 0.09 0.72 0.41 -0.78 0.09 0.00 0.00 178.44 178.97 2cqz h ASP 127 N 1.09 0.77 -0.10 -0.43 3.58 -1.16 0.17 116.42 120.34 2cqz h ASP 127 Ca 0.29 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2cqz h ASP 127 Cb -0.07 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 2cqz h ASP 127 CO -0.06 0.58 0.02 -0.03 -2.88 0.00 0.00 179.24 176.87 2cqz h MET 128 N 0.88 0.17 -0.10 0.28 4.05 -1.11 0.14 114.93 119.24 2cqz h MET 128 Ca 0.24 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2cqz h MET 128 Cb -0.06 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 2cqz h MET 128 CO -0.05 0.37 -0.05 0.82 0.23 0.00 0.00 176.91 178.23 2cqz h ILE 129 N -0.07 0.83 -0.07 1.77 2.04 -0.36 0.31 117.51 121.97 2cqz h ILE 129 Ca 0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 2cqz h ILE 129 Cb 0.29 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2cqz h ILE 129 CO 0.00 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.90 2cqz h LEU 130 N -0.04 0.10 -0.52 1.44 3.38 -0.91 0.47 115.31 119.23 2cqz h LEU 130 Ca 0.06 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2cqz h LEU 130 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2cqz h LEU 130 CO -0.13 0.29 -0.39 -0.61 0.09 0.00 0.00 178.44 177.69 2cqz h GLN 131 N 0.10 0.78 -0.54 1.13 5.75 0.42 -1.85 115.11 120.90 2cqz h GLN 131 Ca 0.02 -0.40 -0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2cqz h GLN 131 Cb 0.38 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 2cqz h GLN 131 CO 0.03 1.03 0.18 0.00 -2.65 0.00 0.00 178.83 177.42 2cqz h ALA 132 N 0.92 0.71 -0.26 3.38 0.00 0.37 -1.66 119.26 122.72 2cqz h ALA 132 Ca 0.05 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2cqz h ALA 132 Cb 0.95 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2cqz h ALA 132 CO 0.09 0.36 -0.07 -0.92 0.00 0.00 0.00 179.25 178.71 2cqz h TYR 133 N 0.75 -0.14 -0.63 0.00 3.20 -0.65 -1.39 116.97 118.11 2cqz h TYR 133 Ca 0.18 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2cqz h TYR 133 Cb 0.26 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2cqz h TYR 133 CO 0.01 -0.11 0.38 0.37 -1.64 0.00 0.00 178.16 177.17 2cqz h GLN 134 N -0.00 0.86 0.00 1.82 -0.00 -1.08 -2.26 115.11 114.45 2cqz h GLN 134 Ca 0.13 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 2cqz h GLN 134 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 2cqz h GLN 134 CO -0.27 0.61 -0.25 1.88 0.00 0.00 0.00 178.83 180.80 2cqz h TYR 135 N 0.86 0.00 -0.04 3.99 0.05 -0.87 -1.94 116.97 119.02 2cqz h TYR 135 Ca 0.23 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.86 2cqz h TYR 135 Cb -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2cqz h TYR 135 CO -0.02 0.25 -0.66 0.93 -1.05 0.00 0.00 178.16 177.61 2cqz h GLU 136 N 0.00 0.16 0.00 4.88 5.08 -0.70 -1.88 114.58 122.12 2cqz h GLU 136 Ca -0.00 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2cqz h GLU 136 Cb 0.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2cqz h GLU 136 CO 0.03 0.76 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.53 2cqz h LEU 137 N 0.12 0.00 -0.01 1.33 3.38 -0.91 -1.55 115.31 117.67 2cqz h LEU 137 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cqz h LEU 137 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2cqz h LEU 137 CO 0.10 0.20 -0.01 -1.20 0.09 0.00 0.00 178.44 177.61 2cqz n SER 138 N -3.56 0.03 0.00 -0.43 7.64 -0.76 -4.90 113.62 111.64 2cqz n SER 138 Ca -0.01 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2cqz n SER 138 Cb 0.35 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2cqz n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqz n GLY 139 N 1.38 1.18 3.69 0.23 0.00 -0.58 -5.09 105.19 106.00 2cqz n GLY 139 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 6.99 -0.13 1.61 3.84 -0.91 -4.91 114.94 119.44 2cqz s ASN 140 Ca 0.00 1.90 0.15 0.00 0.21 0.00 0.00 52.86 55.12 2cqz s ASN 140 Cb 0.00 -2.56 0.47 0.00 -0.55 0.00 0.00 41.25 38.61 2cqz s ASN 140 CO 0.00 -0.63 1.38 2.29 -2.79 0.00 0.00 177.10 177.35 2cqz n LYS 141 N 5.28 2.92 -2.01 0.43 2.85 -1.26 -4.18 118.16 122.19 2cqz n LYS 141 Ca 0.12 -2.64 -0.16 0.00 -1.05 0.00 0.00 58.31 54.58 2cqz n LYS 141 Cb 0.45 -1.70 0.04 0.00 -0.65 0.00 0.00 35.03 33.18 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 -0.25 3.92 -0.92 -5.58 2.04 -1.26 -4.67 115.26 108.54 2cqz n ASN 142 Ca 0.19 -3.42 0.08 0.00 -0.44 0.00 0.00 54.58 50.99 2cqz n ASN 142 Cb 0.77 -0.38 0.21 0.00 -2.53 0.00 0.00 39.78 37.85 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 -0.70 3.24 -0.23 -4.53 4.77 -1.26 -4.71 117.00 113.58 2cqz n LEU 143 Ca 0.34 -1.84 -0.01 0.00 -0.03 0.00 0.00 56.01 54.47 2cqz n LEU 143 Cb 0.92 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2cqz n LEU 143 CO 0.29 0.78 0.69 -0.78 -1.33 0.00 0.00 177.39 177.04 2cqz h ASP 144 N 3.10 -0.82 -0.96 -1.43 3.58 -1.95 -2.03 116.42 115.91 2cqz h ASP 144 Ca 0.00 0.22 0.20 0.00 0.42 0.00 0.00 57.03 57.87 2cqz h ASP 144 Cb 0.83 0.48 -0.11 0.00 1.72 0.00 0.00 39.33 42.25 2cqz h ASP 144 CO 0.00 -0.26 0.55 1.05 -2.88 0.00 0.00 179.24 177.70 2cqz h GLU 145 N -0.05 0.64 -0.35 0.28 4.11 -1.99 -1.97 114.58 115.24 2cqz h GLU 145 Ca 0.31 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.80 2cqz h GLU 145 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2cqz h GLU 145 CO -0.72 0.42 0.54 0.74 0.07 0.00 0.00 179.01 180.07 2cqz h PHE 146 N 0.66 0.00 0.00 2.06 0.04 -1.74 0.00 116.94 117.96 2cqz h PHE 146 Ca 0.57 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.34 2cqz h PHE 146 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2cqz h PHE 146 CO -0.04 0.00 0.00 0.91 -0.60 0.00 0.00 178.31 178.58 2cqz n TRP 147 N -3.34 0.00 1.25 -0.55 7.02 -0.74 -2.94 117.44 118.13 2cqz n TRP 147 Ca 0.06 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.56 2cqz n TRP 147 Cb 0.69 -0.46 0.06 0.00 -2.42 0.00 0.00 31.31 29.18 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 -1.46 1.40 0.17 -0.99 0.28 -0.01 -2.91 120.64 117.12 2cqz n GLU 148 Ca 0.07 -0.44 0.12 0.00 -0.16 0.00 0.00 57.16 56.76 2cqz n GLU 148 Cb 0.28 -1.31 0.17 0.00 1.43 0.00 0.00 31.44 32.01 2cqz n GLU 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cqz h ALA 149 N 2.83 0.87 -0.79 -1.84 0.00 -1.74 -3.16 119.26 115.42 2cqz h ALA 149 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2cqz h ALA 149 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2cqz h ALA 149 CO 0.03 0.00 0.32 0.82 0.00 0.00 0.00 179.25 180.42 2cqz h ILE 150 N 0.00 1.26 -0.34 0.00 2.04 -1.80 -0.98 117.51 117.69 2cqz h ILE 150 Ca 0.00 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 2cqz h ILE 150 Cb 0.94 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2cqz h ILE 150 CO 0.00 0.33 -0.24 -0.33 0.00 0.00 0.00 178.15 177.91 2cqz h GLU 151 N 1.15 0.68 -0.73 2.37 4.39 -1.79 -1.78 114.58 118.86 2cqz h GLU 151 Ca 0.26 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2cqz h GLU 151 Cb 0.21 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2cqz h GLU 151 CO -0.02 0.86 0.27 0.93 -1.16 0.00 0.00 179.01 179.89 2cqz h GLU 152 N 0.59 1.09 -0.49 2.33 5.08 -1.48 -2.63 114.58 119.08 2cqz h GLU 152 Ca 0.08 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2cqz h GLU 152 Cb 0.73 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2cqz h GLU 152 CO 0.06 0.90 0.11 0.82 -1.00 0.00 0.00 179.01 179.89 2cqz h ILE 153 N 1.06 1.24 -0.17 3.13 2.04 -0.73 -2.79 117.51 121.30 2cqz h ILE 153 Ca 0.24 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2cqz h ILE 153 Cb 0.23 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2cqz h ILE 153 CO -0.02 0.31 0.15 0.11 0.00 0.00 0.00 178.15 178.71 2cqz h LYS 154 N 0.67 0.00 0.00 2.37 1.79 -0.98 -0.85 116.57 119.57 2cqz h LYS 154 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2cqz h LYS 154 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2cqz h LYS 154 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 2cqz n ARG 155 N -4.12 0.08 -3.73 3.15 1.74 -1.05 -4.67 116.66 108.06 2cqz n ARG 155 Ca 0.01 0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 2cqz n ARG 155 Cb 0.28 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.88 4.29 0.16 0.55 1.43 -0.32 -5.00 118.68 116.91 2cqz s LEU 156 Ca 0.12 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 2cqz s LEU 156 Cb 0.13 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2cqz s LEU 156 CO 0.33 0.25 1.62 -0.08 0.23 0.00 0.00 176.35 178.70 2cqz h GLU 157 N 6.02 -0.19 -1.19 1.70 4.81 -1.85 -1.82 114.58 122.05 2cqz h GLU 157 Ca -0.46 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.12 2cqz h GLU 157 Cb 1.18 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2cqz h GLU 157 CO 0.69 -0.13 0.84 1.25 -0.73 0.00 0.00 179.01 180.93 2cqz h LEU 158 N -0.20 0.09 -2.78 1.64 5.85 -1.94 0.24 115.31 118.21 2cqz h LEU 158 Ca 0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2cqz h LEU 158 Cb 0.47 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2cqz h LEU 158 CO -0.46 0.01 0.03 0.77 -0.34 0.00 0.00 178.44 178.45 2cqz h SER 159 N 0.07 0.00 -0.92 1.25 4.64 -1.57 -1.80 113.55 115.23 2cqz h SER 159 Ca 0.59 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 62.13 2cqz h SER 159 Cb 2.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.22 2cqz h SER 159 CO -0.08 0.00 0.61 0.50 -0.87 0.00 0.00 176.83 177.00 2cqz h LYS 160 N 0.00 0.36 -0.00 4.77 3.64 -0.68 0.41 116.57 125.06 2cqz h LYS 160 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2cqz h LYS 160 Cb 0.07 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2cqz h LYS 160 CO -0.00 0.24 -0.05 0.66 -2.27 0.00 0.00 179.45 178.03 2cqz n TYR 161 N -4.50 0.00 -0.13 1.91 4.01 -0.67 -4.03 117.16 113.74 2cqz n TYR 161 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2cqz n TYR 161 Cb 0.74 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 -0.82 1.39 -0.27 7.72 4.77 0.14 -4.85 117.00 125.08 2cqz n LEU 162 Ca 0.18 -1.39 0.04 0.00 -0.03 0.00 0.00 56.01 54.81 2cqz n LEU 162 Cb 0.24 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2cqz n LEU 162 CO 0.21 0.35 0.50 -0.62 -1.33 0.00 0.00 177.39 176.49 2cqz n GLU 163 N -0.26 -0.07 -0.28 3.23 -0.58 -1.00 0.17 120.64 121.85 2cqz n GLU 163 Ca 0.00 1.18 0.01 0.00 -0.42 0.00 0.00 57.16 57.94 2cqz n GLU 163 Cb 0.18 -1.77 0.22 0.00 -0.57 0.00 0.00 31.44 29.50 2cqz n GLU 163 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2cqz h ASP 164 N 0.00 0.94 -0.12 1.62 2.03 -1.91 -1.10 116.42 117.87 2cqz h ASP 164 Ca 0.36 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.55 2cqz h ASP 164 Cb 0.55 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2cqz h ASP 164 CO -0.78 0.65 -0.30 0.40 -1.03 0.00 0.00 179.24 178.18 2cqz h ILE 165 N 1.09 1.38 -0.52 4.15 2.04 -0.65 -2.73 117.51 122.26 2cqz h ILE 165 Ca 0.34 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2cqz h ILE 165 Cb -0.01 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2cqz h ILE 165 CO -0.09 0.47 0.35 -0.07 0.00 0.00 0.00 178.15 178.80 2cqz h LEU 166 N 0.01 0.56 -0.92 1.44 3.38 -1.09 -1.09 115.31 117.60 2cqz h LEU 166 Ca -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2cqz h LEU 166 Cb 0.91 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2cqz h LEU 166 CO 0.07 0.40 -0.26 0.78 0.09 0.00 0.00 178.44 179.52 2cqz h ASN 167 N 0.66 0.50 0.12 -0.43 -0.26 -1.12 -0.88 115.58 114.17 2cqz h ASN 167 Ca 0.20 -0.17 -0.15 0.00 -0.56 0.00 0.00 56.30 55.62 2cqz h ASN 167 Cb -0.01 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 2cqz h ASN 167 CO -0.05 0.75 -0.53 0.28 -1.06 0.00 0.00 177.43 176.82 2cqz h SER 168 N 0.43 0.49 0.43 5.81 0.02 -0.92 -2.13 113.55 117.68 2cqz h SER 168 Ca 0.06 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2cqz h SER 168 Cb 0.68 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2cqz h SER 168 CO 0.05 0.93 -0.21 0.58 -1.14 0.00 0.00 176.83 177.04 2cqz h VAL 169 N 0.35 0.46 -0.28 2.27 2.07 -0.96 -2.79 116.25 117.37 2cqz h VAL 169 Ca 0.01 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.11 2cqz h VAL 169 Cb 1.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2cqz h VAL 169 CO 0.09 0.07 0.28 1.23 0.02 0.00 0.00 177.57 179.27 2cqz h GLY 170 N -0.91 0.00 2.00 2.17 0.00 -1.20 0.28 103.07 105.40 2cqz h GLY 170 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2cqz h GLY 170 CO 0.10 0.00 -0.03 -0.09 0.00 0.00 0.00 176.54 176.52 2cqz h ARG 171 N 0.00 0.00 0.00 4.80 2.43 -1.11 -2.79 114.38 117.71 2cqz h ARG 171 Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2cqz h ARG 171 Cb 0.69 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2cqz h ARG 171 CO -0.00 0.03 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.22 2cqz h LEU 172 N 0.00 0.00 0.00 3.80 3.38 -0.36 -3.51 115.31 118.63 2cqz h LEU 172 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cqz h LEU 172 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2cqz h LEU 172 CO 0.00 0.19 0.00 1.17 0.09 0.00 0.00 178.44 179.90