#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqn s TYR 3 N 0.00 1.12 0.00 1.43 6.14 -1.26 -5.16 117.35 119.63 1pqn s TYR 3 Ca 0.00 -0.22 0.00 0.00 0.64 0.00 0.00 57.07 57.49 1pqn s TYR 3 Cb 0.00 -0.72 0.00 0.00 0.42 0.00 0.00 41.96 41.66 1pqn s TYR 3 CO 0.00 -0.02 0.00 -1.33 0.64 0.00 0.00 175.55 174.84 1pqn n MET 4 N 2.70 1.00 -1.46 4.97 2.81 -1.26 -4.96 117.12 120.91 1pqn n MET 4 Ca -0.14 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.28 1pqn n MET 4 Cb 0.56 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.99 1pqn n MET 4 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1pqn n LEU 5 N 0.00 1.73 -4.75 4.03 -0.00 -1.26 -4.89 117.00 111.86 1pqn n LEU 5 Ca 0.00 0.21 -0.41 0.00 -0.00 0.00 0.00 56.01 55.81 1pqn n LEU 5 Cb 0.00 -1.24 -0.03 0.00 -0.00 0.00 0.00 43.42 42.15 1pqn n LEU 5 CO 0.00 -0.89 0.90 -2.16 -0.00 0.00 0.00 177.39 175.24 1pqn s PRO 6 N 7.13 4.48 0.03 1.47 0.04 -1.26 -4.94 135.00 141.94 1pqn s PRO 6 Ca 1.13 2.00 0.04 0.00 0.04 0.00 0.00 61.00 64.20 1pqn s PRO 6 Cb -0.84 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1pqn s PRO 6 CO 0.46 -0.05 -0.04 -1.58 0.04 0.00 0.00 177.00 175.82 1pqn s HIS 7 N -0.74 2.93 0.68 0.56 2.46 -1.26 -2.37 115.29 117.55 1pqn s HIS 7 Ca 0.49 -0.03 -0.06 0.00 0.47 0.00 0.00 55.06 55.94 1pqn s HIS 7 Cb -0.35 -1.58 0.15 0.00 -0.13 0.00 0.00 32.58 30.66 1pqn s HIS 7 CO 0.44 0.42 0.94 1.28 -2.47 0.00 0.00 174.74 175.34 1pqn n LEU 8 N 1.22 0.00 0.01 8.88 4.77 0.13 -4.80 117.00 127.22 1pqn n LEU 8 Ca -0.14 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1pqn n LEU 8 Cb 0.52 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1pqn n LEU 8 CO 0.33 -1.06 0.00 1.57 -1.33 0.00 0.00 177.39 176.90 1pqn n HIS 9 N -2.99 -0.12 -4.11 -1.77 -0.00 -1.26 -4.76 115.22 100.22 1pqn n HIS 9 Ca 0.14 0.02 -0.07 0.00 0.46 0.00 0.00 57.72 58.26 1pqn n HIS 9 Cb 0.48 0.15 -0.03 0.00 -0.12 0.00 0.00 29.99 30.47 1pqn n HIS 9 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1pqn n ASN 10 N -2.65 -0.20 0.28 0.26 3.02 -1.26 -4.30 115.26 110.41 1pqn n ASN 10 Ca 0.00 -1.81 0.17 0.00 -0.03 0.00 0.00 54.58 52.90 1pqn n ASN 10 Cb 0.00 0.61 0.93 0.00 -0.61 0.00 0.00 39.78 40.72 1pqn n ASN 10 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1pqn h GLY 11 N 0.75 0.00 0.84 7.41 0.00 -1.97 -0.72 103.07 109.38 1pqn h GLY 11 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1pqn h GLY 11 CO 0.13 0.00 0.06 1.49 0.00 0.00 0.00 176.54 178.22 1pqn h TRP 12 N 0.00 0.10 0.16 5.60 4.06 -1.98 0.39 115.95 124.28 1pqn h TRP 12 Ca 0.02 0.01 -0.32 0.00 2.06 0.00 0.00 58.89 60.66 1pqn h TRP 12 Cb 0.13 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1pqn h TRP 12 CO 0.00 0.05 -1.57 1.96 -3.56 0.00 0.00 178.44 175.31 1pqn h GLN 13 N 0.14 0.35 0.80 0.49 4.20 -1.84 -2.83 115.11 116.41 1pqn h GLN 13 Ca 0.08 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 1pqn h GLN 13 Cb 0.06 0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1pqn h GLN 13 CO -0.09 1.24 -0.38 0.28 -0.67 0.00 0.00 178.83 179.21 1pqn h VAL 14 N 0.09 0.00 -0.36 -0.54 2.07 -1.08 0.16 116.25 116.60 1pqn h VAL 14 Ca -0.27 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1pqn h VAL 14 Cb 2.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1pqn h VAL 14 CO 0.19 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.44 1pqn h ASP 15 N -1.25 0.38 -0.96 0.57 3.32 -0.41 -2.43 116.42 115.65 1pqn h ASP 15 Ca -0.11 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1pqn h ASP 15 Cb 0.82 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1pqn h ASP 15 CO 0.18 0.27 0.63 -0.61 -1.72 0.00 0.00 179.24 177.99 1pqn h GLN 16 N 0.46 1.26 -0.46 3.56 4.15 -1.54 -1.81 115.11 120.73 1pqn h GLN 16 Ca 0.14 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1pqn h GLN 16 Cb -0.03 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.35 1pqn h GLN 16 CO -0.05 0.84 0.31 0.00 -1.93 0.00 0.00 178.83 178.01 1pqn h ALA 17 N 1.39 1.90 0.63 3.38 0.00 -0.18 0.81 119.26 127.20 1pqn h ALA 17 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1pqn h ALA 17 Cb -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1pqn h ALA 17 CO -0.07 0.02 -0.34 0.82 0.00 0.00 0.00 179.25 179.68 1pqn h ILE 18 N 0.42 0.00 0.00 0.00 1.08 -1.06 -0.96 117.51 116.99 1pqn h ILE 18 Ca 0.20 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.54 1pqn h ILE 18 Cb 0.26 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 1pqn h ILE 18 CO -0.05 0.00 -0.59 0.25 -0.69 0.00 0.00 178.15 177.07 1pqn h LEU 19 N -0.89 0.00 -2.79 1.44 6.46 -1.54 -3.04 115.31 114.96 1pqn h LEU 19 Ca -0.09 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.50 1pqn h LEU 19 Cb 0.70 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.52 1pqn h LEU 19 CO 0.12 0.59 0.22 -0.24 -0.62 0.00 0.00 178.44 178.51 1pqn n SER 20 N -3.67 3.43 -0.08 1.25 2.88 0.28 -4.46 113.62 113.24 1pqn n SER 20 Ca -0.01 -2.71 -0.07 0.00 -1.33 0.00 0.00 58.87 54.76 1pqn n SER 20 Cb 0.63 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1pqn n SER 20 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1pqn h GLU 21 N 1.09 0.12 -3.60 -1.46 4.11 -1.05 -3.46 114.58 110.34 1pqn h GLU 21 Ca 0.21 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 59.36 1pqn h GLU 21 Cb 1.72 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.93 1pqn h GLU 21 CO 0.46 0.08 -0.35 -1.91 0.07 0.00 0.00 179.01 177.36 1pqn n GLU 22 N -5.13 -2.10 0.00 1.06 2.13 -1.26 -4.67 120.64 110.67 1pqn n GLU 22 Ca 0.00 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1pqn n GLU 22 Cb 0.15 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 26.59 1pqn n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pqn n ASP 23 N -1.79 0.00 0.00 4.31 8.00 -1.26 -5.03 116.55 120.78 1pqn n ASP 23 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1pqn n ASP 23 Cb 0.62 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1pqn n ASP 23 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1pqn n ARG 24 N -2.20 0.00 -3.24 -1.24 0.63 0.30 -4.76 116.66 106.14 1pqn n ARG 24 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1pqn n ARG 24 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1pqn n ARG 24 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1pqn n VAL 25 N -1.69 0.00 -3.62 5.15 0.24 -0.80 -4.61 118.33 113.00 1pqn n VAL 25 Ca 0.00 -1.12 -0.14 0.00 -2.04 0.00 0.00 64.34 61.04 1pqn n VAL 25 Cb 0.00 0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.54 1pqn n VAL 25 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pqn s VAL 26 N -1.89 0.00 0.13 3.34 0.11 -0.91 -2.59 120.40 118.58 1pqn s VAL 26 Ca 0.01 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 1pqn s VAL 26 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1pqn s VAL 26 CO 0.01 0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.94 1pqn s VAL 27 N 0.23 3.05 0.01 2.04 1.01 0.14 0.28 120.40 127.17 1pqn s VAL 27 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1pqn s VAL 27 Cb -0.05 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1pqn s VAL 27 CO 0.01 0.06 -0.03 -0.63 0.00 0.00 0.00 175.10 174.52 1pqn s ILE 28 N -1.27 0.15 0.04 2.22 1.09 0.13 -1.96 121.20 121.60 1pqn s ILE 28 Ca 0.20 -0.53 0.07 0.00 -1.10 0.00 0.00 60.65 59.29 1pqn s ILE 28 Cb -0.10 -0.22 -0.02 0.00 -1.06 0.00 0.00 42.46 41.06 1pqn s ILE 28 CO 0.12 -0.24 -0.19 -0.13 -0.10 0.00 0.00 174.94 174.40 1pqn s ARG 29 N -0.80 1.27 -0.04 2.79 1.81 -0.86 -0.61 118.95 122.51 1pqn s ARG 29 Ca -0.08 -0.89 0.06 0.00 -1.72 0.00 0.00 55.73 53.11 1pqn s ARG 29 Cb -0.06 -1.36 -0.01 0.00 -0.45 0.00 0.00 34.95 33.08 1pqn s ARG 29 CO -0.00 0.35 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.67 1pqn s PHE 30 N -0.80 2.20 0.00 -0.53 0.40 -0.90 0.25 117.98 118.60 1pqn s PHE 30 Ca 0.06 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1pqn s PHE 30 Cb -0.08 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1pqn s PHE 30 CO 0.02 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.19 1pqn n GLY 31 N 2.87 3.74 3.71 4.36 0.00 -1.07 -3.25 105.19 115.55 1pqn n GLY 31 Ca -0.17 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1pqn n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqn s HIS 32 N -1.35 1.95 0.53 1.61 2.46 -1.26 -4.57 115.29 114.66 1pqn s HIS 32 Ca 0.00 1.60 0.18 0.00 0.47 0.00 0.00 55.06 57.32 1pqn s HIS 32 Cb 0.00 -3.53 1.32 0.00 -0.13 0.00 0.00 32.58 30.24 1pqn s HIS 32 CO 0.00 -2.78 2.13 0.22 -2.47 0.00 0.00 174.74 171.84 1pqn h ASP 33 N -0.36 0.00 -0.02 9.88 3.58 -1.96 -0.99 116.42 126.54 1pqn h ASP 33 Ca -0.48 0.00 0.01 0.00 0.42 0.00 0.00 57.03 56.98 1pqn h ASP 33 Cb 1.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 1pqn h ASP 33 CO 0.49 0.00 0.01 -0.25 -2.88 0.00 0.00 179.24 176.61 1pqn h TRP 34 N 0.00 0.00 -3.86 0.28 2.91 -2.00 -3.41 115.95 109.88 1pqn h TRP 34 Ca 0.04 0.00 -0.55 0.00 1.13 0.00 0.00 58.89 59.51 1pqn h TRP 34 Cb 0.16 0.00 0.11 0.00 -0.51 0.00 0.00 29.16 28.92 1pqn h TRP 34 CO 0.00 0.00 0.72 -3.47 -1.03 0.00 0.00 178.44 174.66 1pqn n ASP 35 N -4.53 3.54 -0.01 2.65 2.03 -0.38 -4.94 116.55 114.91 1pqn n ASP 35 Ca -0.03 1.20 -0.13 0.00 0.52 0.00 0.00 54.79 56.35 1pqn n ASP 35 Cb 0.11 -1.60 -0.09 0.00 -0.72 0.00 0.00 41.12 38.81 1pqn n ASP 35 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pqn h PRO 36 N 2.72 0.03 -0.64 -0.67 0.13 -1.88 -2.82 132.00 128.87 1pqn h PRO 36 Ca -0.50 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 1pqn h PRO 36 Cb 1.25 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1pqn h PRO 36 CO 0.63 0.47 0.43 1.15 -0.23 0.00 0.00 178.00 180.46 1pqn h THR 37 N -0.41 0.87 -0.16 1.56 2.02 -1.83 0.28 112.91 115.24 1pqn h THR 37 Ca 0.00 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 1pqn h THR 37 Cb 0.47 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1pqn h THR 37 CO 0.00 0.07 -0.47 0.00 0.37 0.00 0.00 175.52 175.49 1pqn h MET 39 N 0.32 0.28 -0.12 0.00 2.86 -0.68 -2.83 114.93 114.76 1pqn h MET 39 Ca 0.02 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1pqn h MET 39 Cb 0.95 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1pqn h MET 39 CO 0.08 1.21 0.03 0.87 1.06 0.00 0.00 176.91 180.16 1pqn h LYS 40 N 0.09 0.19 0.64 1.72 1.79 -0.49 0.16 116.57 120.66 1pqn h LYS 40 Ca -0.13 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1pqn h LYS 40 Cb 1.93 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.56 1pqn h LYS 40 CO 0.20 0.36 -0.31 1.98 -1.08 0.00 0.00 179.45 180.60 1pqn h MET 41 N -0.01 -0.83 -0.70 3.15 4.05 -1.51 -2.80 114.93 116.27 1pqn h MET 41 Ca 0.04 0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.59 1pqn h MET 41 Cb 0.25 0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 1pqn h MET 41 CO 0.00 -0.52 0.46 -0.44 0.23 0.00 0.00 176.91 176.65 1pqn h ASP 42 N -1.02 0.60 -0.83 1.39 5.19 -1.55 0.43 116.42 120.63 1pqn h ASP 42 Ca -0.09 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1pqn h ASP 42 Cb 0.70 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 1pqn h ASP 42 CO 0.14 0.38 0.55 -0.33 -3.12 0.00 0.00 179.24 176.86 1pqn h GLU 43 N 0.68 0.92 0.05 3.56 5.08 -0.54 -2.45 114.58 121.87 1pqn h GLU 43 Ca 0.31 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1pqn h GLU 43 Cb 0.32 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1pqn h GLU 43 CO -0.10 0.61 -1.74 0.28 -1.00 0.00 0.00 179.01 177.05 1pqn h VAL 44 N 0.95 0.85 -0.97 3.13 2.07 -0.95 -3.37 116.25 117.97 1pqn h VAL 44 Ca 0.35 -2.64 0.24 0.00 0.82 0.00 0.00 66.70 65.48 1pqn h VAL 44 Cb 0.18 2.50 -0.13 0.00 -1.52 0.00 0.00 31.29 32.32 1pqn h VAL 44 CO -0.12 0.65 0.52 0.25 0.02 0.00 0.00 177.57 178.89 1pqn h LEU 45 N 0.03 0.54 -1.45 2.57 7.12 0.26 0.58 115.31 124.96 1pqn h LEU 45 Ca -0.31 0.15 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 1pqn h LEU 45 Cb 2.01 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 42.21 1pqn h LEU 45 CO 0.09 0.04 -0.25 0.22 -0.13 0.00 0.00 178.44 178.42 1pqn h TYR 46 N 0.49 0.04 0.00 1.25 3.20 -1.65 0.11 116.97 120.41 1pqn h TYR 46 Ca 0.62 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.30 1pqn h TYR 46 Cb 1.21 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1pqn h TYR 46 CO -0.05 0.29 -1.45 -1.13 -1.64 0.00 0.00 178.16 174.17 1pqn n SER 47 N -4.23 0.88 -1.49 -2.11 3.41 0.16 -4.07 113.62 106.16 1pqn n SER 47 Ca -0.02 0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1pqn n SER 47 Cb 0.31 0.10 0.19 0.00 -0.26 0.00 0.00 64.21 64.55 1pqn n SER 47 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1pqn n ILE 48 N -2.92 2.76 -0.07 -1.33 -5.35 0.15 -4.60 119.36 108.00 1pqn n ILE 48 Ca -0.11 -2.55 -0.12 0.00 -0.27 0.00 0.00 62.75 59.70 1pqn n ILE 48 Cb 0.88 -0.38 -0.04 0.00 -1.74 0.00 0.00 39.64 38.36 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pqn n ALA 49 N -1.13 1.67 -0.17 -1.28 0.00 0.00 -4.55 120.51 115.04 1pqn n ALA 49 Ca 0.41 -0.64 0.29 0.00 0.00 0.00 0.00 53.44 53.51 1pqn n ALA 49 Cb 1.22 0.17 0.70 0.00 0.00 0.00 0.00 19.45 21.54 1pqn n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pqn h GLU 50 N -0.68 0.00 -0.54 0.00 4.81 -1.81 0.61 114.58 116.98 1pqn h GLU 50 Ca -0.22 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.17 1pqn h GLU 50 Cb 1.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1pqn h GLU 50 CO -0.13 0.00 0.39 -0.22 -0.73 0.00 0.00 179.01 178.32 1pqn h LYS 51 N 0.00 0.02 0.00 1.92 3.64 -1.84 -3.09 116.57 117.22 1pqn h LYS 51 Ca 0.43 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1pqn h LYS 51 Cb 1.99 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1pqn h LYS 51 CO -0.00 0.01 -0.39 0.28 -2.27 0.00 0.00 179.45 177.08 1pqn n VAL 52 N -4.38 0.00 0.08 2.00 0.31 0.88 -4.89 118.33 112.32 1pqn n VAL 52 Ca 0.10 -0.02 0.21 0.00 -0.01 0.00 0.00 64.34 64.62 1pqn n VAL 52 Cb 0.60 0.39 0.73 0.00 -0.91 0.00 0.00 33.84 34.64 1pqn n VAL 52 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pqn h LYS 53 N 0.02 0.00 -1.42 5.55 3.64 0.11 -0.34 116.57 124.12 1pqn h LYS 53 Ca -0.01 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 1pqn h LYS 53 Cb 1.31 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.93 1pqn h LYS 53 CO 0.00 0.00 0.61 -1.71 -2.27 0.00 0.00 179.45 176.08 1pqn n ASN 54 N -3.63 6.96 0.00 4.20 2.85 -1.26 -4.23 115.26 120.15 1pqn n ASN 54 Ca 0.08 -3.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.18 1pqn n ASN 54 Cb 0.68 -1.05 0.00 0.00 1.24 0.00 0.00 39.78 40.65 1pqn n ASN 54 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1pqn n PHE 55 N -0.08 -0.59 -4.37 1.20 3.72 -0.24 -4.96 117.46 112.13 1pqn n PHE 55 Ca 0.45 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.61 1pqn n PHE 55 Cb 0.58 0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 39.16 1pqn n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pqn s ALA 56 N -1.36 2.97 -0.03 4.37 0.00 -0.58 0.11 121.76 127.24 1pqn s ALA 56 Ca 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 1pqn s ALA 56 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1pqn s ALA 56 CO 0.00 0.28 0.04 0.54 0.00 0.00 0.00 175.76 176.63 1pqn s VAL 57 N -2.37 -0.08 0.27 0.00 0.11 -1.07 -4.52 120.40 112.74 1pqn s VAL 57 Ca 0.30 0.31 0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1pqn s VAL 57 Cb -0.06 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1pqn s VAL 57 CO 0.18 0.13 0.28 -0.63 -3.33 0.00 0.00 175.10 171.72 1pqn s ILE 58 N 1.55 4.49 0.24 7.04 1.09 -1.26 0.24 121.20 134.58 1pqn s ILE 58 Ca -0.03 -1.25 -0.22 0.00 -1.10 0.00 0.00 60.65 58.05 1pqn s ILE 58 Cb -0.13 -3.49 0.04 0.00 -1.06 0.00 0.00 42.46 37.82 1pqn s ILE 58 CO -0.03 -0.30 0.68 -0.31 -0.10 0.00 0.00 174.94 174.88 1pqn s TYR 59 N -2.12 -0.31 0.04 3.97 2.02 -0.83 -4.65 117.35 115.47 1pqn s TYR 59 Ca 0.35 -0.06 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 1pqn s TYR 59 Cb -0.08 0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 42.10 1pqn s TYR 59 CO 0.27 -1.10 -0.11 -0.51 -1.57 0.00 0.00 175.55 172.53 1pqn s LEU 60 N -2.86 2.95 -0.14 -1.29 2.01 -1.00 -2.02 118.68 116.33 1pqn s LEU 60 Ca 0.08 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 53.92 1pqn s LEU 60 Cb -0.04 -1.73 0.02 0.00 0.01 0.00 0.00 46.19 44.45 1pqn s LEU 60 CO 0.00 0.24 -0.17 -0.69 1.01 0.00 0.00 176.35 176.75 1pqn s VAL 61 N -1.03 1.71 -0.27 -1.59 1.01 0.14 0.22 120.40 120.58 1pqn s VAL 61 Ca 0.17 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1pqn s VAL 61 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1pqn s VAL 61 CO 0.09 0.48 1.17 -1.81 0.00 0.00 0.00 175.10 175.03 1pqn s ASP 62 N 1.20 6.88 -1.18 3.32 1.01 -1.26 -2.61 116.67 124.03 1pqn s ASP 62 Ca -0.00 1.25 -0.08 0.00 0.71 0.00 0.00 52.55 54.43 1pqn s ASP 62 Cb -0.14 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 1pqn s ASP 62 CO -0.07 -0.89 2.99 0.00 0.21 0.00 0.00 175.17 177.41 1pqn n ILE 63 N 5.81 4.16 0.00 0.77 3.06 -1.26 -2.61 119.36 129.28 1pqn n ILE 63 Ca 0.13 -2.68 0.00 0.00 -2.50 0.00 0.00 62.75 57.70 1pqn n ILE 63 Cb 0.46 -2.34 0.00 0.00 0.54 0.00 0.00 39.64 38.30 1pqn n ILE 63 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1pqn n THR 64 N 2.88 0.00 -0.02 9.51 -1.04 -1.26 -4.74 114.28 119.62 1pqn n THR 64 Ca 0.67 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.59 1pqn n THR 64 Cb 0.39 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.76 1pqn n THR 64 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pqn n GLU 65 N -2.03 0.63 -0.01 -2.82 4.07 -1.23 -4.37 120.64 114.89 1pqn n GLU 65 Ca 0.00 0.30 -0.19 0.00 -0.06 0.00 0.00 57.16 57.21 1pqn n GLU 65 Cb 0.00 -1.79 -0.14 0.00 -0.06 0.00 0.00 31.44 29.45 1pqn n GLU 65 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1pqn h VAL 66 N 0.00 1.42 -2.74 6.31 2.07 -1.69 -3.47 116.25 118.14 1pqn h VAL 66 Ca -0.29 -2.42 -0.59 0.00 0.82 0.00 0.00 66.70 64.22 1pqn h VAL 66 Cb 2.02 3.04 0.13 0.00 -1.52 0.00 0.00 31.29 34.96 1pqn h VAL 66 CO 0.08 0.64 -0.04 -2.65 0.02 0.00 0.00 177.57 175.62 1pqn n PRO 67 N -4.24 1.05 0.05 1.57 -0.02 -1.26 -4.88 135.00 127.25 1pqn n PRO 67 Ca -0.17 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1pqn n PRO 67 Cb 0.73 -1.83 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 1pqn n PRO 67 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1pqn h ASP 68 N 1.28 0.03 -2.44 2.55 1.82 -1.92 -3.39 116.42 114.36 1pqn h ASP 68 Ca -0.42 -0.04 -0.60 0.00 -0.39 0.00 0.00 57.03 55.58 1pqn h ASP 68 Cb 1.36 -0.01 -0.41 0.00 0.68 0.00 0.00 39.33 40.95 1pqn h ASP 68 CO 0.55 1.03 -0.67 0.49 -1.61 0.00 0.00 179.24 179.03 1pqn n PHE 69 N -3.30 2.82 -0.23 0.28 3.01 -1.26 -4.78 117.46 113.99 1pqn n PHE 69 Ca -0.04 -4.09 0.00 0.00 1.01 0.00 0.00 57.45 54.33 1pqn n PHE 69 Cb 0.97 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1pqn n PHE 69 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pqn n ASN 70 N 1.35 0.91 -0.04 4.37 5.03 -1.26 -4.42 115.26 121.20 1pqn n ASN 70 Ca 0.26 -1.14 -0.15 0.00 0.87 0.00 0.00 54.58 54.42 1pqn n ASN 70 Cb 0.41 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.13 1pqn n ASN 70 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1pqn h LYS 71 N 0.00 0.79 0.00 3.52 3.11 -1.89 0.40 116.57 122.50 1pqn h LYS 71 Ca 0.00 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.26 1pqn h LYS 71 Cb 0.21 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1pqn h LYS 71 CO 0.00 1.20 -1.79 -1.33 -2.81 0.00 0.00 179.45 174.72 1pqn n MET 72 N -3.96 0.58 -2.69 1.90 2.81 -1.26 -4.57 117.12 109.94 1pqn n MET 72 Ca -0.06 -0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.59 1pqn n MET 72 Cb 0.69 -1.55 0.04 0.00 -0.71 0.00 0.00 33.22 31.70 1pqn n MET 72 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1pqn n TYR 73 N -2.22 0.40 -0.40 2.03 9.36 -1.24 -4.95 117.16 120.14 1pqn n TYR 73 Ca -0.03 -2.66 0.33 0.00 3.32 0.00 0.00 57.90 58.86 1pqn n TYR 73 Cb 0.54 0.00 0.61 0.00 -0.63 0.00 0.00 39.34 39.86 1pqn n TYR 73 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1pqn h GLU 74 N 2.82 0.12 -6.81 2.98 4.22 -0.43 -3.40 114.58 114.08 1pqn h GLU 74 Ca -0.13 -0.01 -0.48 0.00 0.08 0.00 0.00 59.36 58.83 1pqn h GLU 74 Cb 1.19 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.45 1pqn h GLU 74 CO 0.39 0.08 -0.00 -0.51 -2.18 0.00 0.00 179.01 176.79 1pqn s LEU 75 N -9.77 3.65 0.00 1.64 1.02 -1.26 -4.65 118.68 109.32 1pqn s LEU 75 Ca -0.08 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.68 1pqn s LEU 75 Cb 0.30 -3.50 0.00 0.00 0.02 0.00 0.00 46.19 43.01 1pqn s LEU 75 CO 0.81 -0.63 0.00 0.00 0.02 0.00 0.00 176.35 176.55 1pqn n TYR 76 N -2.16 0.00 -3.34 0.29 9.36 -1.26 -5.08 117.16 114.97 1pqn n TYR 76 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1pqn n TYR 76 Cb 0.56 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.22 1pqn n TYR 76 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1pqn s ASP 77 N 2.00 6.94 0.03 2.98 2.15 -1.26 -5.01 116.67 124.51 1pqn s ASP 77 Ca 0.00 1.15 -0.22 0.00 0.43 0.00 0.00 52.55 53.91 1pqn s ASP 77 Cb 0.00 -2.32 -0.15 0.00 -0.30 0.00 0.00 42.92 40.15 1pqn s ASP 77 CO 0.00 0.22 1.39 1.55 -0.17 0.00 0.00 175.17 178.17 1pqn h PRO 78 N 4.22 0.20 0.00 4.34 0.13 -1.95 -3.47 132.00 135.47 1pqn h PRO 78 Ca -0.50 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1pqn h PRO 78 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pqn h PRO 78 CO 0.64 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.94 1pqn s THR 80 N -2.00 0.00 0.06 0.00 -1.32 -1.20 -4.12 115.64 107.06 1pqn s THR 80 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1pqn s THR 80 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1pqn s THR 80 CO 0.00 0.00 0.09 0.54 -2.21 0.00 0.00 174.62 173.04 1pqn s VAL 81 N -0.32 4.67 0.12 5.08 0.11 -1.25 -2.12 120.40 126.69 1pqn s VAL 81 Ca 0.08 -0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1pqn s VAL 81 Cb -0.04 -3.23 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1pqn s VAL 81 CO -0.13 0.17 0.18 -0.04 -3.33 0.00 0.00 175.10 171.94 1pqn s MET 82 N -2.29 0.94 0.23 1.54 -1.94 0.22 -4.30 119.30 113.69 1pqn s MET 82 Ca 0.29 -1.14 0.07 0.00 -1.71 0.00 0.00 55.69 53.21 1pqn s MET 82 Cb -0.12 0.32 -0.05 0.00 2.01 0.00 0.00 34.83 36.99 1pqn s MET 82 CO 0.21 -0.30 -0.11 -0.06 -0.01 0.00 0.00 175.02 174.75 1pqn s PHE 83 N -3.93 1.82 0.10 -0.03 0.40 -1.07 0.23 117.98 115.49 1pqn s PHE 83 Ca 0.12 -0.61 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 1pqn s PHE 83 Cb 0.05 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 1pqn s PHE 83 CO -0.05 0.34 0.05 -0.06 0.70 0.00 0.00 175.22 176.20 1pqn s PHE 84 N -2.97 0.62 0.18 0.36 0.40 0.14 -3.45 117.98 113.26 1pqn s PHE 84 Ca 0.25 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 1pqn s PHE 84 Cb 0.01 -0.37 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 1pqn s PHE 84 CO 0.09 -0.48 0.21 0.34 0.70 0.00 0.00 175.22 176.08 1pqn n PHE 85 N -0.01 -0.73 -1.43 0.36 7.35 -1.12 -2.15 117.46 119.73 1pqn n PHE 85 Ca -0.10 -1.32 -0.11 0.00 -0.76 0.00 0.00 57.45 55.16 1pqn n PHE 85 Cb 0.62 0.23 -0.09 0.00 0.35 0.00 0.00 39.48 40.59 1pqn n PHE 85 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pqn n ARG 86 N -0.31 0.14 -3.61 -4.13 1.74 -1.26 -2.37 116.66 106.86 1pqn n ARG 86 Ca 0.02 -0.99 -0.27 0.00 -0.77 0.00 0.00 57.85 55.84 1pqn n ARG 86 Cb 0.31 -2.93 0.03 0.00 -1.02 0.00 0.00 32.46 28.84 1pqn n ARG 86 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pqn n ASN 87 N 14.81 -5.11 -3.74 0.55 3.02 -1.26 -4.96 115.26 118.57 1pqn n ASN 87 Ca 0.34 -0.58 -0.29 0.00 -0.03 0.00 0.00 54.58 54.03 1pqn n ASN 87 Cb 0.44 -4.10 -0.16 0.00 -0.61 0.00 0.00 39.78 35.35 1pqn n ASN 87 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pqn s LYS 88 N -6.30 0.72 0.10 3.52 2.20 -1.00 -5.11 119.74 113.88 1pqn s LYS 88 Ca 0.54 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 55.17 1pqn s LYS 88 Cb -0.27 -2.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.90 1pqn s LYS 88 CO 0.67 -0.77 1.88 -2.39 -0.36 0.00 0.00 175.35 174.38 1pqn n HIS 89 N 4.97 2.61 -3.75 4.03 1.44 -1.26 -2.77 115.22 120.48 1pqn n HIS 89 Ca -0.07 -0.22 -0.28 0.00 -2.01 0.00 0.00 57.72 55.14 1pqn n HIS 89 Cb 0.45 -2.76 -0.16 0.00 0.12 0.00 0.00 29.99 27.64 1pqn n HIS 89 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1pqn s ILE 90 N 3.20 0.62 -0.79 0.61 1.10 -1.22 -4.99 121.20 119.73 1pqn s ILE 90 Ca 0.84 -0.65 -0.18 0.00 -0.51 0.00 0.00 60.65 60.15 1pqn s ILE 90 Cb -0.46 -1.12 0.15 0.00 0.15 0.00 0.00 42.46 41.17 1pqn s ILE 90 CO 0.38 -0.22 0.89 0.00 -2.11 0.00 0.00 174.94 173.88 1pqn s MET 91 N 1.81 3.41 -0.23 3.50 0.23 -1.26 -2.59 119.30 124.17 1pqn s MET 91 Ca -0.01 -1.80 -0.02 0.00 -1.03 0.00 0.00 55.69 52.83 1pqn s MET 91 Cb -0.17 -4.55 0.07 0.00 -1.53 0.00 0.00 34.83 28.64 1pqn s MET 91 CO -0.09 -1.56 0.03 -1.50 -2.03 0.00 0.00 175.02 169.87 1pqn s ILE 92 N 1.99 0.82 0.16 3.16 2.07 -1.26 -4.98 121.20 123.16 1pqn s ILE 92 Ca 0.21 -0.90 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 1pqn s ILE 92 Cb -0.13 -1.34 0.04 0.00 0.13 0.00 0.00 42.46 41.16 1pqn s ILE 92 CO -0.04 -0.30 0.17 0.47 -1.91 0.00 0.00 174.94 173.33 1pqn n ASP 93 N 4.92 -0.65 -1.72 4.50 9.92 -1.26 -4.27 116.55 127.99 1pqn n ASP 93 Ca -0.08 -0.80 -0.00 0.00 -0.53 0.00 0.00 54.79 53.38 1pqn n ASP 93 Cb 0.45 -0.14 0.29 0.00 -0.64 0.00 0.00 41.12 41.08 1pqn n ASP 93 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pqn n LEU 94 N 0.00 5.13 0.00 0.64 4.77 -1.26 -4.91 117.00 121.37 1pqn n LEU 94 Ca 0.02 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1pqn n LEU 94 Cb 0.08 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1pqn n LEU 94 CO 0.06 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1pqn n GLY 95 N 0.19 -0.32 2.79 -0.72 0.00 -1.26 -3.88 105.19 101.99 1pqn n GLY 95 Ca 0.29 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pqn s THR 96 N -4.00 -0.55 0.00 2.61 2.01 -1.26 -4.66 115.64 109.79 1pqn s THR 96 Ca 0.00 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 60.92 1pqn s THR 96 Cb 0.00 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1pqn s THR 96 CO 0.00 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 1pqn n GLY 97 N 3.65 -2.07 0.23 4.40 0.00 -0.95 -4.71 105.19 105.75 1pqn n GLY 97 Ca 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1pqn n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pqn h ASN 98 N 0.00 0.30 -0.61 1.61 -0.26 -2.01 -2.73 115.58 111.87 1pqn h ASN 98 Ca 0.00 -0.08 -0.35 0.00 -0.56 0.00 0.00 56.30 55.31 1pqn h ASN 98 Cb 0.00 -0.08 -0.21 0.00 -1.06 0.00 0.00 38.32 36.97 1pqn h ASN 98 CO 0.00 0.51 0.11 -3.20 -1.06 0.00 0.00 177.43 173.79 1pqn n ASN 99 N -4.20 3.59 0.00 5.81 2.85 -1.26 -5.00 115.26 117.05 1pqn n ASN 99 Ca -0.01 -3.76 0.00 0.00 -0.11 0.00 0.00 54.58 50.71 1pqn n ASN 99 Cb 0.33 -0.69 0.00 0.00 1.24 0.00 0.00 39.78 40.66 1pqn n ASN 99 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1pqn n ASN 100 N -1.07 0.00 -4.70 1.20 3.02 -1.03 -4.79 115.26 107.89 1pqn n ASN 100 Ca 0.44 0.00 -0.55 0.00 -0.03 0.00 0.00 54.58 54.44 1pqn n ASN 100 Cb 1.13 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.23 1pqn n ASN 100 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pqn n LYS 101 N 0.00 1.42 -1.96 3.52 5.02 -1.26 -2.24 118.16 122.66 1pqn n LYS 101 Ca 0.00 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.47 1pqn n LYS 101 Cb 0.00 -2.25 -0.04 0.00 -0.02 0.00 0.00 35.03 32.72 1pqn n LYS 101 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pqn s ILE 102 N 3.75 3.32 -0.11 -0.18 -1.09 -1.26 -4.66 121.20 120.97 1pqn s ILE 102 Ca 0.97 0.04 0.11 0.00 -2.23 0.00 0.00 60.65 59.54 1pqn s ILE 102 Cb -0.97 -3.81 -0.16 0.00 -1.58 0.00 0.00 42.46 35.95 1pqn s ILE 102 CO 0.62 -0.77 0.07 0.59 -1.23 0.00 0.00 174.94 174.22 1pqn n ASN 103 N 13.67 2.00 -0.03 3.58 3.02 -1.26 -3.74 115.26 132.50 1pqn n ASN 103 Ca 0.28 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1pqn n ASN 103 Cb 0.51 0.89 -0.13 0.00 -0.61 0.00 0.00 39.78 40.44 1pqn n ASN 103 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1pqn n TRP 104 N -2.39 0.38 -1.36 3.10 8.01 -1.26 -4.27 117.44 119.64 1pqn n TRP 104 Ca -0.18 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1pqn n TRP 104 Cb 0.83 -0.90 0.00 0.00 -2.01 0.00 0.00 31.31 29.23 1pqn n TRP 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pqn n ALA 105 N -2.49 -1.87 -3.67 6.99 0.00 -1.26 -4.43 120.51 113.79 1pqn n ALA 105 Ca -0.17 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1pqn n ALA 105 Cb 0.88 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1pqn n ALA 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pqn s MET 106 N -4.18 1.32 -0.16 0.00 1.75 -1.26 -5.00 119.30 111.77 1pqn s MET 106 Ca 0.00 -0.65 -0.11 0.00 -1.25 0.00 0.00 55.69 53.68 1pqn s MET 106 Cb 0.00 0.50 0.04 0.00 2.84 0.00 0.00 34.83 38.21 1pqn s MET 106 CO 0.00 -0.59 0.22 0.39 -0.65 0.00 0.00 175.02 174.38 1pqn n GLU 107 N -0.41 -4.45 -3.06 4.11 4.71 -1.26 -4.48 120.64 115.80 1pqn n GLU 107 Ca -0.08 3.35 -0.40 0.00 -0.01 0.00 0.00 57.16 60.01 1pqn n GLU 107 Cb 0.61 -4.75 -0.05 0.00 -1.01 0.00 0.00 31.44 26.24 1pqn n GLU 107 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1pqn s ASP 108 N -0.61 6.73 0.00 1.62 -4.77 -1.26 -2.64 116.67 115.74 1pqn s ASP 108 Ca -0.25 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 49.89 1pqn s ASP 108 Cb 0.02 -2.37 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1pqn s ASP 108 CO 0.68 -0.32 0.00 0.29 0.70 0.00 0.00 175.17 176.51 1pqn n LYS 109 N 5.23 0.00 -0.11 2.11 5.02 -1.26 -4.74 118.16 124.41 1pqn n LYS 109 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1pqn n LYS 109 Cb 0.49 -0.51 -0.11 0.00 -0.02 0.00 0.00 35.03 34.88 1pqn n LYS 109 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pqn n GLN 110 N -1.20 0.56 0.00 1.97 1.13 -1.25 -3.47 117.38 115.13 1pqn n GLN 110 Ca 0.00 0.56 -0.17 0.00 -1.94 0.00 0.00 57.00 55.45 1pqn n GLN 110 Cb 0.00 -1.73 -0.12 0.00 0.11 0.00 0.00 30.24 28.50 1pqn n GLN 110 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1pqn h GLU 111 N -1.00 0.34 0.64 -1.09 4.39 -1.73 -2.84 114.58 113.29 1pqn h GLU 111 Ca -0.37 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 58.90 1pqn h GLU 111 Cb 1.31 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1pqn h GLU 111 CO -0.22 1.09 -0.31 0.52 -1.16 0.00 0.00 179.01 178.94 1pqn h MET 112 N -0.23 -0.83 -0.61 2.33 2.86 -1.69 -2.38 114.93 114.38 1pqn h MET 112 Ca -0.08 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1pqn h MET 112 Cb 1.31 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 33.09 1pqn h MET 112 CO 0.11 -0.51 0.23 0.28 1.06 0.00 0.00 176.91 178.08 1pqn h VAL 113 N -1.06 0.76 -0.83 -2.22 2.07 -1.72 0.19 116.25 113.45 1pqn h VAL 113 Ca -0.09 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1pqn h VAL 113 Cb 0.70 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1pqn h VAL 113 CO 0.14 0.07 0.49 0.44 0.02 0.00 0.00 177.57 178.74 1pqn h ASP 114 N 0.40 0.73 0.33 0.57 3.32 -1.50 0.38 116.42 120.67 1pqn h ASP 114 Ca 0.31 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1pqn h ASP 114 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1pqn h ASP 114 CO -0.31 0.44 -0.16 0.40 -1.72 0.00 0.00 179.24 177.88 1pqn h ILE 115 N 0.85 0.45 -0.71 0.35 1.08 -0.68 -2.83 117.51 116.02 1pqn h ILE 115 Ca 0.39 -0.74 0.13 0.00 -0.39 0.00 0.00 64.86 64.24 1pqn h ILE 115 Cb 0.29 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 1pqn h ILE 115 CO -0.22 0.10 0.47 0.40 -0.69 0.00 0.00 178.15 178.21 1pqn h ILE 116 N -0.97 0.84 -0.54 -0.67 2.04 -0.47 0.39 117.51 118.12 1pqn h ILE 116 Ca -0.05 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1pqn h ILE 116 Cb 0.51 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1pqn h ILE 116 CO 0.08 0.08 -0.04 -0.08 0.00 0.00 0.00 178.15 178.19 1pqn h GLU 117 N 0.43 0.96 0.00 2.37 4.81 -0.25 0.40 114.58 123.30 1pqn h GLU 117 Ca 0.34 -0.31 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1pqn h GLU 117 Cb 0.72 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1pqn h GLU 117 CO -0.11 0.97 -0.92 1.15 -0.73 0.00 0.00 179.01 179.37 1pqn h THR 118 N 0.87 0.80 0.00 0.32 2.02 -0.87 -2.81 112.91 113.24 1pqn h THR 118 Ca 0.15 -2.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.04 1pqn h THR 118 Cb 0.57 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1pqn h THR 118 CO 0.03 0.45 -0.36 0.58 0.37 0.00 0.00 175.52 176.59 1pqn h VAL 119 N 0.00 0.92 -0.64 3.16 2.07 -0.16 -1.47 116.25 120.13 1pqn h VAL 119 Ca -0.07 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.56 1pqn h VAL 119 Cb 1.51 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1pqn h VAL 119 CO 0.06 0.31 0.06 1.88 0.02 0.00 0.00 177.57 179.90 1pqn h TYR 120 N -1.00 1.16 0.07 1.57 -1.99 -0.38 0.63 116.97 117.02 1pqn h TYR 120 Ca -0.08 -0.18 -0.24 0.00 2.00 0.00 0.00 58.73 60.23 1pqn h TYR 120 Cb 0.77 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 1pqn h TYR 120 CO 0.10 0.99 -1.11 -0.09 -0.00 0.00 0.00 178.16 178.05 1pqn h ARG 121 N 1.00 0.19 0.09 4.88 9.65 -1.61 -3.30 114.38 125.29 1pqn h ARG 121 Ca 0.19 -0.31 -0.20 0.00 -1.10 0.00 0.00 59.98 58.56 1pqn h ARG 121 Cb 0.49 0.11 0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1pqn h ARG 121 CO 0.02 1.12 -0.84 0.78 2.80 0.00 0.00 179.97 183.85 1pqn h GLY 122 N 1.98 0.48 -4.15 2.80 0.00 -1.12 -3.32 103.07 99.75 1pqn h GLY 122 Ca -0.09 -1.00 -0.43 0.00 0.00 0.00 0.00 47.33 45.81 1pqn h GLY 122 CO 0.17 0.88 0.39 0.00 0.00 0.00 0.00 176.54 177.98 1pqn n ALA 123 N -2.64 6.00 -1.16 3.60 0.00 0.22 -4.50 120.51 122.03 1pqn n ALA 123 Ca -0.13 -2.55 -0.24 0.00 0.00 0.00 0.00 53.44 50.52 1pqn n ALA 123 Cb 0.81 -1.88 0.17 0.00 0.00 0.00 0.00 19.45 18.54 1pqn n ALA 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1pqn n ARG 124 N 0.71 2.23 -3.88 0.00 1.85 -1.24 -4.86 116.66 111.47 1pqn n ARG 124 Ca 0.43 -2.92 -0.19 0.00 -1.00 0.00 0.00 57.85 54.17 1pqn n ARG 124 Cb 0.57 -2.14 -0.06 0.00 -1.05 0.00 0.00 32.46 29.78 1pqn n ARG 124 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1pqn n LYS 125 N -1.08 0.62 -4.16 2.89 -0.00 -1.26 -5.13 118.16 110.04 1pqn n LYS 125 Ca 0.58 -2.70 -0.11 0.00 -0.00 0.00 0.00 58.31 56.07 1pqn n LYS 125 Cb 1.59 1.55 -0.10 0.00 -0.00 0.00 0.00 35.03 38.06 1pqn n LYS 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pqn s GLY 126 N -2.96 0.76 -0.20 2.58 0.00 -1.26 -5.03 107.32 101.21 1pqn s GLY 126 Ca 0.18 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.37 1pqn s GLY 126 CO 0.13 -1.40 0.63 -1.60 0.00 0.00 0.00 173.10 170.86 1pqn s ARG 127 N -3.59 0.79 0.00 2.90 6.06 -1.26 -5.24 118.95 118.61 1pqn s ARG 127 Ca 0.10 0.74 0.28 0.00 -2.50 0.00 0.00 55.73 54.36 1pqn s ARG 127 Cb 0.03 0.38 1.14 0.00 0.06 0.00 0.00 34.95 36.57 1pqn s ARG 127 CO -0.04 -0.13 1.80 0.41 -2.50 0.00 0.00 175.30 174.84