#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 2.43 0.00 1.43 5.04 -1.26 -4.90 117.35 120.09 1pqn s TYR 3 Ca 0.00 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1pqn s TYR 3 Cb 0.00 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.86 1pqn s TYR 3 CO 0.00 0.14 0.00 -1.33 -1.34 0.00 0.00 175.55 173.02 1pqn n MET 4 N 1.89 0.00 -1.46 4.97 2.81 -1.26 -4.78 117.12 119.29 1pqn n MET 4 Ca -0.17 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.26 1pqn n MET 4 Cb 0.52 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 1pqn n MET 4 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1pqn n LEU 5 N 0.00 1.74 -4.72 4.03 4.32 -1.26 -4.89 117.00 116.22 1pqn n LEU 5 Ca 0.00 0.22 -0.42 0.00 -0.02 0.00 0.00 56.01 55.79 1pqn n LEU 5 Cb 0.00 -1.24 -0.03 0.00 -1.62 0.00 0.00 43.42 40.53 1pqn n LEU 5 CO 0.00 -0.89 0.92 -2.16 -1.22 0.00 0.00 177.39 174.04 1pqn s PRO 6 N 7.09 4.43 0.50 3.23 0.04 -1.26 -4.91 135.00 144.11 1pqn s PRO 6 Ca 1.13 1.85 0.06 0.00 0.04 0.00 0.00 61.00 64.08 1pqn s PRO 6 Cb -0.85 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 30.40 1pqn s PRO 6 CO 0.46 -0.24 0.35 -3.38 0.04 0.00 0.00 177.00 174.23 1pqn s HIS 7 N 0.75 2.01 0.00 0.56 -3.43 -1.26 -2.59 115.29 111.33 1pqn s HIS 7 Ca 0.58 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 1pqn s HIS 7 Cb -0.32 -1.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 1pqn s HIS 7 CO 0.31 -0.28 0.00 1.28 -2.00 0.00 0.00 174.74 174.05 1pqn n LEU 8 N -1.62 0.00 -2.65 5.38 4.77 -0.98 -4.80 117.00 117.10 1pqn n LEU 8 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 1pqn n LEU 8 Cb 0.64 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1pqn n LEU 8 CO 0.41 -0.06 -0.10 1.41 -1.33 0.00 0.00 177.39 177.72 1pqn n HIS 9 N -1.53 -1.52 -3.65 -1.77 8.25 -1.26 -4.93 115.22 108.81 1pqn n HIS 9 Ca 0.00 0.31 -0.01 0.00 -0.26 0.00 0.00 57.72 57.76 1pqn n HIS 9 Cb 0.00 -4.16 -0.07 0.00 1.12 0.00 0.00 29.99 26.88 1pqn n HIS 9 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pqn s ASN 10 N -2.48 -0.21 0.18 0.41 3.04 -1.26 -4.95 114.94 109.66 1pqn s ASN 10 Ca 0.18 0.35 -0.13 0.00 0.04 0.00 0.00 52.86 53.30 1pqn s ASN 10 Cb -0.08 0.83 0.08 0.00 -1.54 0.00 0.00 41.25 40.55 1pqn s ASN 10 CO 0.22 -0.06 1.83 1.23 -3.04 0.00 0.00 177.10 177.28 1pqn h GLY 11 N 4.78 0.83 1.51 1.21 0.00 -1.92 -0.60 103.07 108.88 1pqn h GLY 11 Ca -0.27 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1pqn h GLY 11 CO 0.20 0.32 0.32 -0.25 0.00 0.00 0.00 176.54 177.12 1pqn h TRP 12 N 0.78 0.58 0.01 5.60 2.91 -1.99 0.75 115.95 124.60 1pqn h TRP 12 Ca 0.21 0.01 -0.19 0.00 1.13 0.00 0.00 58.89 60.05 1pqn h TRP 12 Cb -0.06 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.38 1pqn h TRP 12 CO -0.03 0.36 -0.89 1.96 -1.03 0.00 0.00 178.44 178.82 1pqn h GLN 13 N 0.62 0.12 0.20 2.65 1.08 -1.77 -2.79 115.11 115.22 1pqn h GLN 13 Ca 0.18 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1pqn h GLN 13 Cb -0.04 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1pqn h GLN 13 CO -0.04 0.93 -0.09 0.28 -0.95 0.00 0.00 178.83 178.95 1pqn h VAL 14 N 0.06 0.62 -0.28 -0.54 2.07 -0.16 0.38 116.25 118.41 1pqn h VAL 14 Ca -0.03 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.52 1pqn h VAL 14 Cb 1.53 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1pqn h VAL 14 CO 0.13 0.17 0.20 -0.78 0.02 0.00 0.00 177.57 177.31 1pqn h ASP 15 N -0.94 0.02 0.32 0.57 1.82 -1.02 -1.73 116.42 115.47 1pqn h ASP 15 Ca -0.03 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.28 1pqn h ASP 15 Cb 0.48 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1pqn h ASP 15 CO 0.04 0.01 -1.72 1.56 -1.61 0.00 0.00 179.24 177.52 1pqn h GLN 16 N 0.02 0.25 -0.59 0.28 1.08 -1.53 -3.32 115.11 111.30 1pqn h GLN 16 Ca 0.13 -0.42 0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1pqn h GLN 16 Cb 0.50 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1pqn h GLN 16 CO -0.00 1.09 0.39 0.00 -0.95 0.00 0.00 178.83 179.36 1pqn h ALA 17 N 0.38 1.66 0.22 3.87 0.00 0.59 0.14 119.26 126.12 1pqn h ALA 17 Ca -0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pqn h ALA 17 Cb 2.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1pqn h ALA 17 CO 0.13 0.29 -0.11 0.82 0.00 0.00 0.00 179.25 180.39 1pqn h ILE 18 N 0.73 0.00 -0.01 0.00 2.04 -1.48 -3.14 117.51 115.65 1pqn h ILE 18 Ca 0.23 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1pqn h ILE 18 Cb 0.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1pqn h ILE 18 CO -0.06 0.00 0.05 0.25 0.00 0.00 0.00 178.15 178.39 1pqn h LEU 19 N -0.39 0.00 -4.95 1.44 6.46 -1.64 -3.14 115.31 113.08 1pqn h LEU 19 Ca -0.03 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 57.15 1pqn h LEU 19 Cb 0.23 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 1pqn h LEU 19 CO 0.05 0.00 2.23 -0.24 -0.62 0.00 0.00 178.44 179.86 1pqn n SER 20 N -3.17 7.64 -4.68 1.25 2.88 0.50 -4.67 113.62 113.37 1pqn n SER 20 Ca -0.03 -2.81 -0.46 0.00 -1.33 0.00 0.00 58.87 54.24 1pqn n SER 20 Cb 0.12 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.10 1pqn n SER 20 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1pqn n GLU 21 N 2.49 2.30 0.05 -1.46 -0.00 -1.19 -4.85 120.64 117.98 1pqn n GLU 21 Ca 0.64 0.84 0.12 0.00 -0.00 0.00 0.00 57.16 58.76 1pqn n GLU 21 Cb 0.40 -2.67 0.59 0.00 -0.00 0.00 0.00 31.44 29.76 1pqn n GLU 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1pqn h GLU 22 N 7.96 0.18 0.00 3.44 4.22 -1.83 -3.43 114.58 125.12 1pqn h GLU 22 Ca -0.47 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1pqn h GLU 22 Cb 1.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pqn h GLU 22 CO 0.93 0.12 0.00 -3.47 -2.18 0.00 0.00 179.01 174.41 1pqn n ASP 23 N -4.46 0.00 0.00 1.04 2.03 -1.24 -4.92 116.55 108.99 1pqn n ASP 23 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1pqn n ASP 23 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1pqn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pqn n ARG 24 N -0.28 0.00 -1.61 -0.67 1.74 0.91 -4.88 116.66 111.88 1pqn n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pqn n ARG 24 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1pqn n ARG 24 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1pqn n VAL 25 N -0.82 0.00 -3.61 1.55 3.14 -1.03 -3.88 118.33 113.69 1pqn n VAL 25 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1pqn n VAL 25 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1pqn n VAL 25 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1pqn s VAL 26 N -0.69 0.00 0.22 1.55 0.11 -0.31 -2.63 120.40 118.65 1pqn s VAL 26 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 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 0.00 0.00 0.17 -0.69 -3.33 0.00 0.00 175.10 171.25 1pqn s VAL 27 N -0.30 4.43 -0.23 2.04 1.01 0.16 0.25 120.40 127.75 1pqn s VAL 27 Ca -0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1pqn s VAL 27 Cb -0.03 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.13 1pqn s VAL 27 CO -0.01 -0.26 0.35 -0.51 0.00 0.00 0.00 175.10 174.67 1pqn s ILE 28 N -2.00 -0.56 -0.17 2.22 2.07 0.36 -1.61 121.20 121.52 1pqn s ILE 28 Ca 0.32 -0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 59.34 1pqn s ILE 28 Cb -0.09 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 1pqn s ILE 28 CO 0.24 -0.10 0.50 -0.60 -1.91 0.00 0.00 174.94 173.07 1pqn s ARG 29 N 2.51 4.25 -0.35 3.50 3.52 -0.19 -0.92 118.95 131.27 1pqn s ARG 29 Ca 0.10 0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 56.03 1pqn s ARG 29 Cb -0.15 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1pqn s ARG 29 CO -0.14 -0.03 0.18 -0.06 -0.81 0.00 0.00 175.30 174.43 1pqn s PHE 30 N 1.24 3.22 0.00 5.12 0.08 0.07 -0.39 117.98 127.32 1pqn s PHE 30 Ca 0.25 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1pqn s PHE 30 Cb -0.15 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1pqn s PHE 30 CO 0.10 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 1pqn n GLY 31 N 4.96 0.95 3.74 4.36 0.00 -1.02 -2.65 105.19 115.52 1pqn n GLY 31 Ca -0.12 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1pqn n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pqn s HIS 32 N -2.00 3.71 -1.05 1.61 3.76 -1.26 -4.06 115.29 115.99 1pqn s HIS 32 Ca 0.00 1.47 -0.25 0.00 -0.15 0.00 0.00 55.06 56.13 1pqn s HIS 32 Cb 0.00 -2.85 -0.17 0.00 1.11 0.00 0.00 32.58 30.67 1pqn s HIS 32 CO 0.00 0.22 1.98 -0.25 -0.85 0.00 0.00 174.74 175.84 1pqn n ASP 33 N 3.05 2.29 0.00 1.40 8.00 -1.26 -2.59 116.55 127.44 1pqn n ASP 33 Ca -0.01 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1pqn n ASP 33 Cb 0.50 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 1pqn n ASP 33 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1pqn n TRP 34 N 15.63 0.00 -0.63 1.24 -0.00 -1.26 -5.11 117.44 127.31 1pqn n TRP 34 Ca 0.44 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.63 1pqn n TRP 34 Cb 0.46 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.96 1pqn n TRP 34 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1pqn n ASP 35 N -0.58 -0.89 -0.02 5.87 9.92 -1.07 -4.84 116.55 124.94 1pqn n ASP 35 Ca 0.00 0.18 -0.12 0.00 -0.53 0.00 0.00 54.79 54.31 1pqn n ASP 35 Cb 0.00 -1.33 -0.08 0.00 -0.64 0.00 0.00 41.12 39.08 1pqn n ASP 35 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1pqn h PRO 36 N -2.13 0.13 -0.56 -0.24 0.13 -1.95 -2.75 132.00 124.63 1pqn h PRO 36 Ca -0.50 -0.04 0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1pqn h PRO 36 Cb 1.30 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1pqn h PRO 36 CO 0.42 0.40 0.39 1.15 -0.23 0.00 0.00 178.00 180.14 1pqn h THR 37 N -0.17 0.80 -0.03 1.56 2.02 -1.84 0.28 112.91 115.54 1pqn h THR 37 Ca 0.02 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 1pqn h THR 37 Cb 0.35 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1pqn h THR 37 CO 0.00 0.03 -0.70 0.00 0.37 0.00 0.00 175.52 175.23 1pqn h MET 39 N 0.09 0.37 0.10 0.00 -1.53 -0.51 -2.83 114.93 110.62 1pqn h MET 39 Ca -0.02 -0.63 -0.01 0.00 -3.44 0.00 0.00 59.70 55.61 1pqn h MET 39 Cb 1.24 0.23 0.00 0.00 -0.55 0.00 0.00 31.60 32.53 1pqn h MET 39 CO 0.10 1.28 -0.05 0.87 0.14 0.00 0.00 176.91 179.26 1pqn h LYS 40 N 0.10 -0.13 -0.39 0.39 1.57 -0.60 -2.77 116.57 114.75 1pqn h LYS 40 Ca -0.21 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1pqn h LYS 40 Cb 2.06 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.38 1pqn h LYS 40 CO 0.22 0.23 0.26 0.52 -0.57 0.00 0.00 179.45 180.10 1pqn h MET 41 N -0.51 0.51 -0.67 3.15 2.86 -1.52 -2.66 114.93 116.09 1pqn h MET 41 Ca -0.01 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.73 1pqn h MET 41 Cb 0.42 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 31.87 1pqn h MET 41 CO 0.02 0.34 0.17 0.22 1.06 0.00 0.00 176.91 178.72 1pqn h ASP 42 N 0.52 0.05 -0.94 1.22 1.82 -1.52 0.44 116.42 118.01 1pqn h ASP 42 Ca 0.14 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1pqn h ASP 42 Cb -0.06 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 1pqn h ASP 42 CO -0.03 0.01 0.62 -0.33 -1.61 0.00 0.00 179.24 177.90 1pqn h GLU 43 N 0.29 1.23 0.28 0.28 5.08 -1.18 -2.19 114.58 118.37 1pqn h GLU 43 Ca 0.36 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1pqn h GLU 43 Cb 0.57 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pqn h GLU 43 CO -0.44 0.81 -0.14 0.28 -1.00 0.00 0.00 179.01 178.52 1pqn h VAL 44 N 1.26 0.49 -1.23 3.13 2.07 -0.68 -2.74 116.25 118.56 1pqn h VAL 44 Ca 0.35 -0.85 0.36 0.00 0.82 0.00 0.00 66.70 67.38 1pqn h VAL 44 Cb -0.12 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1pqn h VAL 44 CO -0.08 0.12 0.95 -0.07 0.02 0.00 0.00 177.57 178.50 1pqn h LEU 45 N -0.97 0.00 0.13 2.57 3.38 -0.14 0.33 115.31 120.62 1pqn h LEU 45 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1pqn h LEU 45 Cb 0.48 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.26 1pqn h LEU 45 CO 0.06 0.00 -0.85 0.22 0.09 0.00 0.00 178.44 177.96 1pqn h TYR 46 N 0.00 0.61 -0.31 1.13 3.20 -1.38 -0.26 116.97 119.96 1pqn h TYR 46 Ca 0.58 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1pqn h TYR 46 Cb 2.47 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.71 1pqn h TYR 46 CO 0.00 1.31 0.00 0.45 -1.64 0.00 0.00 178.16 178.28 1pqn n SER 47 N -4.10 3.32 0.00 -2.11 2.88 0.90 -4.13 113.62 110.39 1pqn n SER 47 Ca -0.14 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1pqn n SER 47 Cb 0.83 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1pqn n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pqn n ILE 48 N 0.36 0.00 0.09 2.46 0.00 0.40 -4.89 119.36 117.78 1pqn n ILE 48 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 62.75 62.77 1pqn n ILE 48 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 39.64 40.29 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pqn h ALA 49 N 0.00 -0.25 -0.88 1.51 0.00 -1.19 -1.72 119.26 116.74 1pqn h ALA 49 Ca 0.00 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.14 1pqn h ALA 49 Cb 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1pqn h ALA 49 CO 0.00 -0.67 0.77 0.93 0.00 0.00 0.00 179.25 180.28 1pqn h GLU 50 N -0.30 0.00 0.06 0.00 3.07 -1.79 0.61 114.58 116.23 1pqn h GLU 50 Ca 0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1pqn h GLU 50 Cb 0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1pqn h GLU 50 CO -0.09 0.00 -0.07 0.87 -1.40 0.00 0.00 179.01 178.32 1pqn h LYS 51 N 0.00 -0.13 -0.33 2.33 1.57 -1.65 -3.29 116.57 115.07 1pqn h LYS 51 Ca 0.42 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 59.05 1pqn h LYS 51 Cb 1.96 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 34.20 1pqn h LYS 51 CO -0.00 -0.08 -0.07 1.33 -0.57 0.00 0.00 179.45 180.05 1pqn n VAL 52 N -2.71 2.51 -0.09 0.50 0.24 -0.95 -4.72 118.33 113.10 1pqn n VAL 52 Ca -0.02 -2.63 0.26 0.00 -2.04 0.00 0.00 64.34 59.91 1pqn n VAL 52 Cb 0.06 -0.31 0.70 0.00 -1.47 0.00 0.00 33.84 32.82 1pqn n VAL 52 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pqn h LYS 53 N 1.08 0.00 -0.33 7.34 3.64 0.20 0.49 116.57 128.99 1pqn h LYS 53 Ca 0.19 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1pqn h LYS 53 Cb 1.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1pqn h LYS 53 CO 0.36 0.00 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.25 1pqn h ASN 54 N 0.00 0.83 0.00 4.20 2.35 -1.84 -3.38 115.58 117.74 1pqn h ASN 54 Ca 0.36 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1pqn h ASN 54 Cb 1.70 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.83 1pqn h ASN 54 CO -0.00 1.12 -0.72 0.49 -1.65 0.00 0.00 177.43 176.67 1pqn n PHE 55 N -4.05 0.66 -4.04 1.19 3.72 0.98 -4.14 117.46 111.77 1pqn n PHE 55 Ca -0.02 0.29 -0.31 0.00 -0.05 0.00 0.00 57.45 57.36 1pqn n PHE 55 Cb 0.53 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.76 3.62 0.35 4.37 0.00 0.13 -0.06 121.76 127.41 1pqn s ALA 56 Ca -0.20 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.82 1pqn s ALA 56 Cb 0.03 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1pqn s ALA 56 CO 0.30 0.75 0.09 1.33 0.00 0.00 0.00 175.76 178.23 1pqn n VAL 57 N 0.57 0.00 -3.84 0.00 0.24 -1.08 -3.40 118.33 110.82 1pqn n VAL 57 Ca -0.09 -1.92 -0.09 0.00 -2.04 0.00 0.00 64.34 60.20 1pqn n VAL 57 Cb 0.52 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 1pqn n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pqn s ILE 58 N -2.72 0.14 -0.17 1.34 1.09 -1.26 0.37 121.20 119.98 1pqn s ILE 58 Ca 0.13 -1.12 -0.28 0.00 -1.10 0.00 0.00 60.65 58.28 1pqn s ILE 58 Cb 0.01 -1.30 0.07 0.00 -1.06 0.00 0.00 42.46 40.18 1pqn s ILE 58 CO 0.09 -0.62 0.72 -0.31 -0.10 0.00 0.00 174.94 174.72 1pqn s TYR 59 N -3.76 -0.71 0.45 3.97 2.02 -0.63 -4.60 117.35 114.07 1pqn s TYR 59 Ca 0.04 1.52 -0.00 0.00 -0.37 0.00 0.00 57.07 58.26 1pqn s TYR 59 Cb 0.04 0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.93 1pqn s TYR 59 CO -0.11 -0.48 0.67 -0.51 -1.57 0.00 0.00 175.55 173.56 1pqn s LEU 60 N -0.36 3.67 -0.01 -1.29 1.43 -1.07 -1.02 118.68 120.04 1pqn s LEU 60 Ca -0.05 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1pqn s LEU 60 Cb -0.03 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1pqn s LEU 60 CO 0.05 -0.67 0.15 -0.69 0.23 0.00 0.00 176.35 175.43 1pqn s VAL 61 N -2.56 0.07 -0.29 -1.59 1.01 0.47 -2.31 120.40 115.21 1pqn s VAL 61 Ca 0.48 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1pqn s VAL 61 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1pqn s VAL 61 CO 0.38 -0.33 0.07 -1.81 0.00 0.00 0.00 175.10 173.42 1pqn s ASP 62 N -1.22 5.09 -1.04 3.32 1.11 -1.26 -2.44 116.67 120.23 1pqn s ASP 62 Ca -0.13 -0.69 -0.08 0.00 0.18 0.00 0.00 52.55 51.83 1pqn s ASP 62 Cb -0.07 -1.87 -0.09 0.00 1.07 0.00 0.00 42.92 41.96 1pqn s ASP 62 CO 0.02 -0.18 3.02 -0.38 1.18 0.00 0.00 175.17 178.83 1pqn n ILE 63 N 4.86 4.05 0.00 0.77 5.41 -1.26 -2.61 119.36 130.58 1pqn n ILE 63 Ca -0.15 -2.64 0.00 0.00 1.00 0.00 0.00 62.75 60.96 1pqn n ILE 63 Cb 0.48 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 1pqn n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1pqn n THR 64 N 2.72 0.00 -0.02 1.39 -1.04 -1.26 -4.88 114.28 111.18 1pqn n THR 64 Ca 0.64 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.56 1pqn n THR 64 Cb 0.44 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.79 0.63 -0.01 -2.82 4.07 -1.23 -4.36 120.64 115.13 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 1.43 -2.26 6.31 2.07 -1.87 -3.47 116.25 118.46 1pqn h VAL 66 Ca -0.29 -2.41 -0.62 0.00 0.82 0.00 0.00 66.70 64.20 1pqn h VAL 66 Cb 2.01 3.05 0.10 0.00 -1.52 0.00 0.00 31.29 34.93 1pqn h VAL 66 CO 0.08 0.64 0.18 -2.65 0.02 0.00 0.00 177.57 175.84 1pqn n PRO 67 N -4.26 1.29 -1.76 1.57 -0.02 -1.26 -4.86 135.00 125.70 1pqn n PRO 67 Ca -0.17 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1pqn n PRO 67 Cb 0.72 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1pqn n PRO 67 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pqn n ASP 68 N 1.56 7.40 -2.64 2.55 8.00 -1.26 -4.80 116.55 127.35 1pqn n ASP 68 Ca 0.12 -3.14 -0.01 0.00 0.71 0.00 0.00 54.79 52.47 1pqn n ASP 68 Cb 0.29 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.06 1pqn n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pqn n PHE 69 N 1.46 -3.98 -2.69 1.24 3.72 -1.26 -5.02 117.46 110.92 1pqn n PHE 69 Ca 0.57 1.89 -0.03 0.00 -0.05 0.00 0.00 57.45 59.84 1pqn n PHE 69 Cb 0.38 -3.92 0.12 0.00 -0.94 0.00 0.00 39.48 35.11 1pqn n PHE 69 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pqn n ASN 70 N 0.89 -1.14 -3.42 4.37 3.02 -1.26 -5.03 115.26 112.68 1pqn n ASN 70 Ca -0.09 -2.27 -0.34 0.00 -0.03 0.00 0.00 54.58 51.86 1pqn n ASN 70 Cb 0.14 0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.86 1pqn n ASN 70 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pqn n LYS 71 N -1.19 1.60 0.00 3.52 0.00 -1.26 -1.92 118.16 118.91 1pqn n LYS 71 Ca -0.11 -1.61 0.00 0.00 -0.00 0.00 0.00 58.31 56.59 1pqn n LYS 71 Cb 0.86 -2.69 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 1pqn n LYS 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1pqn n MET 72 N 5.90 0.00 0.06 -1.58 2.81 -1.24 -4.92 117.12 118.15 1pqn n MET 72 Ca 0.45 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 56.12 1pqn n MET 72 Cb 0.28 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.65 1pqn n MET 72 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1pqn h TYR 73 N 0.00 0.65 0.07 2.03 -1.99 -2.00 -3.41 116.97 112.32 1pqn h TYR 73 Ca 0.00 -0.48 -0.00 0.00 2.00 0.00 0.00 58.73 60.25 1pqn h TYR 73 Cb 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1pqn h TYR 73 CO 0.00 1.68 -0.03 1.49 -0.00 0.00 0.00 178.16 181.29 1pqn h GLU 74 N 0.04 -0.09 -6.45 4.88 4.57 -1.83 -3.44 114.58 112.26 1pqn h GLU 74 Ca -0.35 0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.30 1pqn h GLU 74 Cb 2.04 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.65 1pqn h GLU 74 CO 0.15 -0.06 0.54 -1.17 -1.18 0.00 0.00 179.01 177.29 1pqn s LEU 75 N -4.93 4.36 0.06 1.64 0.20 -0.81 -4.63 118.68 114.57 1pqn s LEU 75 Ca -0.01 1.92 0.00 0.00 0.69 0.00 0.00 54.13 56.73 1pqn s LEU 75 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1pqn s LEU 75 CO 0.04 -0.44 0.00 0.00 -0.29 0.00 0.00 176.35 175.66 1pqn n TYR 76 N 4.07 -2.73 -1.47 5.38 4.19 -1.26 -3.66 117.16 121.68 1pqn n TYR 76 Ca 0.09 0.21 -0.35 0.00 3.31 0.00 0.00 57.90 61.16 1pqn n TYR 76 Cb 0.47 0.95 0.09 0.00 0.49 0.00 0.00 39.34 41.34 1pqn n TYR 76 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1pqn s ASP 77 N -2.00 4.19 0.04 2.98 1.11 -1.26 -4.95 116.67 116.77 1pqn s ASP 77 Ca 0.00 2.47 -0.20 0.00 0.18 0.00 0.00 52.55 54.99 1pqn s ASP 77 Cb 0.00 -2.60 -0.14 0.00 1.07 0.00 0.00 42.92 41.25 1pqn s ASP 77 CO 0.00 -2.27 1.36 1.55 1.18 0.00 0.00 175.17 176.99 1pqn h PRO 78 N -0.13 0.35 -1.31 8.23 0.13 -1.96 -3.49 132.00 133.82 1pqn h PRO 78 Ca -0.49 -0.17 0.30 0.00 -0.87 0.00 0.00 66.00 64.77 1pqn h PRO 78 Cb 1.31 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 1pqn h PRO 78 CO 0.50 0.71 0.88 0.00 -0.23 0.00 0.00 178.00 179.86 1pqn s THR 80 N -2.28 0.00 0.25 0.00 -1.32 -1.09 -4.08 115.64 107.13 1pqn s THR 80 Ca 0.11 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1pqn s THR 80 Cb 0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1pqn s THR 80 CO -0.04 0.00 0.03 -0.69 -2.21 0.00 0.00 174.62 171.71 1pqn s VAL 81 N -1.47 3.67 0.12 5.08 1.01 -1.25 -0.75 120.40 126.79 1pqn s VAL 81 Ca 0.09 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.26 1pqn s VAL 81 Cb -0.01 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1pqn s VAL 81 CO -0.05 -0.35 0.10 -0.04 0.00 0.00 0.00 175.10 174.76 1pqn s MET 82 N -3.64 0.90 0.02 2.72 -1.94 -0.10 -3.54 119.30 113.72 1pqn s MET 82 Ca 0.31 -1.29 0.06 0.00 -1.71 0.00 0.00 55.69 53.07 1pqn s MET 82 Cb -0.07 0.27 -0.02 0.00 2.01 0.00 0.00 34.83 37.02 1pqn s MET 82 CO 0.21 -0.26 -0.19 -0.06 -0.01 0.00 0.00 175.02 174.70 1pqn s PHE 83 N -3.98 1.69 -0.05 -0.03 0.40 -1.07 -0.48 117.98 114.44 1pqn s PHE 83 Ca 0.17 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1pqn s PHE 83 Cb 0.06 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.59 1pqn s PHE 83 CO -0.02 0.04 0.01 -0.06 0.70 0.00 0.00 175.22 175.89 1pqn s PHE 84 N -0.67 0.42 -0.17 0.36 0.40 0.14 0.46 117.98 118.91 1pqn s PHE 84 Ca 0.07 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1pqn s PHE 84 Cb -0.08 -0.61 0.01 0.00 0.51 0.00 0.00 43.02 42.85 1pqn s PHE 84 CO 0.01 -0.23 -0.19 -0.59 0.70 0.00 0.00 175.22 174.91 1pqn s PHE 85 N 1.73 2.77 -1.45 0.36 -0.12 -1.26 -1.16 117.98 118.85 1pqn s PHE 85 Ca 0.00 -1.47 -0.11 0.00 -0.05 0.00 0.00 56.93 55.30 1pqn s PHE 85 Cb -0.13 -1.91 0.08 0.00 -0.63 0.00 0.00 43.02 40.43 1pqn s PHE 85 CO -0.03 -0.71 0.72 -2.13 -0.05 0.00 0.00 175.22 173.01 1pqn n ARG 86 N 4.45 -4.43 -2.38 1.99 0.63 -1.25 -0.04 116.66 115.63 1pqn n ARG 86 Ca -0.20 0.58 -0.19 0.00 -0.92 0.00 0.00 57.85 57.12 1pqn n ARG 86 Cb 0.51 -5.38 -0.01 0.00 0.45 0.00 0.00 32.46 28.03 1pqn n ARG 86 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1pqn n ASN 87 N -2.56 -5.41 -0.02 6.15 5.15 -1.26 -4.88 115.26 112.44 1pqn n ASN 87 Ca 0.00 -0.03 -0.04 0.00 -0.60 0.00 0.00 54.58 53.92 1pqn n ASN 87 Cb 0.54 -4.45 -0.12 0.00 -0.53 0.00 0.00 39.78 35.21 1pqn n ASN 87 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pqn n LYS 88 N -2.83 0.64 -2.19 1.20 3.00 0.94 -4.95 118.16 113.98 1pqn n LYS 88 Ca -0.22 0.14 -0.01 0.00 -0.00 0.00 0.00 58.31 58.23 1pqn n LYS 88 Cb 0.67 -1.71 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 1pqn n LYS 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1pqn n HIS 89 N -2.83 -4.01 -5.10 5.64 -0.00 -1.26 -4.89 115.22 102.77 1pqn n HIS 89 Ca -0.17 2.38 -0.30 0.00 -0.00 0.00 0.00 57.72 59.63 1pqn n HIS 89 Cb 0.94 -3.55 -0.17 0.00 -0.00 0.00 0.00 29.99 27.21 1pqn n HIS 89 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1pqn s ILE 90 N -0.51 1.86 -0.46 3.57 2.07 0.17 -4.91 121.20 122.99 1pqn s ILE 90 Ca -0.05 -0.92 -0.29 0.00 -1.41 0.00 0.00 60.65 57.99 1pqn s ILE 90 Cb 0.00 -1.61 0.02 0.00 0.13 0.00 0.00 42.46 41.00 1pqn s ILE 90 CO 0.13 0.52 1.28 -0.04 -1.91 0.00 0.00 174.94 174.91 1pqn s MET 91 N 0.31 3.62 -0.30 3.50 -1.94 -1.26 -2.61 119.30 120.61 1pqn s MET 91 Ca -0.15 0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 54.36 1pqn s MET 91 Cb -0.17 -3.98 0.17 0.00 2.01 0.00 0.00 34.83 32.87 1pqn s MET 91 CO 0.07 -1.51 1.22 -1.50 -0.01 0.00 0.00 175.02 173.29 1pqn s ILE 92 N 5.01 -0.06 0.25 2.53 1.10 -1.26 -4.98 121.20 123.79 1pqn s ILE 92 Ca 0.54 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.64 1pqn s ILE 92 Cb -0.10 -0.94 0.07 0.00 0.15 0.00 0.00 42.46 41.64 1pqn s ILE 92 CO 0.32 0.00 0.15 0.47 -2.11 0.00 0.00 174.94 173.76 1pqn n ASP 93 N 5.46 -2.37 0.33 4.50 9.92 -1.23 -3.59 116.55 129.58 1pqn n ASP 93 Ca -0.08 -0.15 0.22 0.00 -0.53 0.00 0.00 54.79 54.25 1pqn n ASP 93 Cb 0.55 -0.17 1.17 0.00 -0.64 0.00 0.00 41.12 42.03 1pqn n ASP 93 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1pqn h LEU 94 N 0.00 0.00 0.00 0.64 3.38 -1.88 -3.44 115.31 114.01 1pqn h LEU 94 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pqn h LEU 94 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pqn h LEU 94 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1pqn n GLY 95 N -1.12 5.59 3.69 0.83 0.00 -1.26 -3.47 105.19 109.45 1pqn n GLY 95 Ca -0.03 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pqn n THR 96 N 0.00 0.33 0.00 2.61 -2.24 -1.26 -4.91 114.28 108.82 1pqn n THR 96 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1pqn n THR 96 Cb 0.00 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 1pqn n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqn n GLY 97 N 4.23 -2.26 5.18 3.38 0.00 -1.26 -4.77 105.19 109.69 1pqn n GLY 97 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1pqn n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pqn n ASN 98 N -1.06 0.00 0.10 1.61 3.02 -1.26 -3.57 115.26 114.10 1pqn n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pqn n ASN 98 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pqn n ASN 98 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pqn n ASN 99 N 1.72 -1.71 -4.54 6.41 5.15 -1.26 -5.02 115.26 116.01 1pqn n ASN 99 Ca 0.00 0.39 -0.43 0.00 -0.60 0.00 0.00 54.58 53.94 1pqn n ASN 99 Cb 0.00 1.84 -0.00 0.00 -0.53 0.00 0.00 39.78 41.09 1pqn n ASN 99 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pqn s ASN 100 N -2.37 6.93 0.75 1.20 3.04 -1.23 -4.99 114.94 118.27 1pqn s ASN 100 Ca 0.00 -2.65 -0.16 0.00 0.04 0.00 0.00 52.86 50.09 1pqn s ASN 100 Cb 0.00 -2.52 -0.04 0.00 -1.54 0.00 0.00 41.25 37.15 1pqn s ASN 100 CO 0.00 -1.02 0.39 0.29 -3.04 0.00 0.00 177.10 173.72 1pqn n LYS 101 N 7.40 0.19 -1.75 0.43 5.02 -1.26 -4.70 118.16 123.50 1pqn n LYS 101 Ca 0.45 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.65 1pqn n LYS 101 Cb 0.45 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.98 3.18 -0.14 -0.18 -1.09 -1.26 -4.53 121.20 115.19 1pqn s ILE 102 Ca 0.62 -0.29 0.19 0.00 -2.23 0.00 0.00 60.65 58.95 1pqn s ILE 102 Cb -0.33 -4.03 -0.28 0.00 -1.58 0.00 0.00 42.46 36.25 1pqn s ILE 102 CO 0.61 -0.34 0.23 -0.46 -1.23 0.00 0.00 174.94 173.75 1pqn n ASN 103 N 17.94 0.03 0.00 3.58 6.94 -1.26 -3.95 115.26 138.54 1pqn n ASN 103 Ca 0.43 0.01 0.11 0.00 -0.02 0.00 0.00 54.58 55.11 1pqn n ASN 103 Cb 0.46 1.30 -0.14 0.00 -2.36 0.00 0.00 39.78 39.04 1pqn n ASN 103 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 1pqn n TRP 104 N -2.60 0.11 -1.02 -2.53 -0.00 -1.26 -4.26 117.44 105.88 1pqn n TRP 104 Ca -0.23 0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.30 1pqn n TRP 104 Cb 0.96 -0.51 0.00 0.00 -0.00 0.00 0.00 31.31 31.75 1pqn n TRP 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pqn n ALA 105 N -2.19 -2.53 -3.79 5.87 0.00 -1.26 -4.23 120.51 112.38 1pqn n ALA 105 Ca -0.03 0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1pqn n ALA 105 Cb 0.55 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 19.04 1pqn n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqn n MET 106 N 0.29 0.03 -0.94 0.00 0.00 -1.26 -4.95 117.12 110.29 1pqn n MET 106 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 57.70 57.27 1pqn n MET 106 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 33.22 34.03 1pqn n MET 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1pqn n GLU 107 N -0.74 -0.43 0.00 3.17 1.02 -1.26 -4.86 120.64 117.53 1pqn n GLU 107 Ca 0.05 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1pqn n GLU 107 Cb 0.44 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pqn n ASP 108 N -0.22 -2.58 -0.09 1.62 8.00 -1.26 -2.63 116.55 119.39 1pqn n ASP 108 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1pqn n ASP 108 Cb 0.11 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.34 1pqn n ASP 108 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1pqn h LYS 109 N 0.00 0.76 -0.99 -1.24 2.10 -1.89 -3.21 116.57 112.10 1pqn h LYS 109 Ca 0.00 -0.25 0.18 0.00 -2.00 0.00 0.00 60.65 58.58 1pqn h LYS 109 Cb 0.00 -0.06 -0.18 0.00 -0.90 0.00 0.00 32.23 31.09 1pqn h LYS 109 CO 0.00 0.84 -0.29 1.04 -2.00 0.00 0.00 179.45 179.04 1pqn n GLN 110 N -4.16 -0.13 0.39 0.07 6.02 -1.24 0.92 117.38 119.23 1pqn n GLN 110 Ca 0.01 1.53 -0.18 0.00 -0.01 0.00 0.00 57.00 58.35 1pqn n GLN 110 Cb 0.36 -2.29 -0.09 0.00 1.02 0.00 0.00 30.24 29.24 1pqn n GLN 110 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1pqn h GLU 111 N 0.00 -1.07 -0.98 -1.09 4.57 -1.50 -2.80 114.58 111.71 1pqn h GLU 111 Ca 0.43 0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.74 1pqn h GLU 111 Cb 0.68 0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 29.45 1pqn h GLU 111 CO -1.01 -0.71 0.64 0.00 -1.18 0.00 0.00 179.01 176.75 1pqn h MET 112 N -1.11 1.14 -0.87 1.92 -0.00 -1.21 -2.09 114.93 112.70 1pqn h MET 112 Ca -0.09 -0.07 0.20 0.00 -0.00 0.00 0.00 59.70 59.74 1pqn h MET 112 Cb 0.90 -0.26 -0.12 0.00 -0.00 0.00 0.00 31.60 32.13 1pqn h MET 112 CO 0.07 0.75 0.38 0.28 -0.00 0.00 0.00 176.91 178.39 1pqn h VAL 113 N 1.17 0.54 0.00 -0.10 2.07 0.76 0.53 116.25 121.21 1pqn h VAL 113 Ca 0.41 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.64 1pqn h VAL 113 Cb 0.12 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1pqn h VAL 113 CO -0.15 0.08 -0.68 -0.78 0.02 0.00 0.00 177.57 176.06 1pqn h ASP 114 N 0.44 0.00 0.39 0.57 1.82 -1.13 -2.83 116.42 115.67 1pqn h ASP 114 Ca 0.52 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.14 1pqn h ASP 114 Cb 0.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1pqn h ASP 114 CO -0.49 0.68 -0.19 0.40 -1.61 0.00 0.00 179.24 178.04 1pqn h ILE 115 N 0.00 0.00 -0.82 2.25 1.08 -0.05 -2.84 117.51 117.13 1pqn h ILE 115 Ca -0.01 -0.61 0.23 0.00 -0.39 0.00 0.00 64.86 64.08 1pqn h ILE 115 Cb 1.22 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1pqn h ILE 115 CO 0.09 0.00 0.58 0.40 -0.69 0.00 0.00 178.15 178.53 1pqn h ILE 116 N -1.13 0.60 0.03 -0.67 2.04 -0.27 0.43 117.51 118.54 1pqn h ILE 116 Ca -0.05 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1pqn h ILE 116 Cb 0.40 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1pqn h ILE 116 CO 0.09 0.01 -0.01 -0.08 0.00 0.00 0.00 178.15 178.15 1pqn h GLU 117 N 0.04 -0.04 -0.02 2.37 4.22 -1.52 -1.02 114.58 118.60 1pqn h GLU 117 Ca 0.39 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.70 1pqn h GLU 117 Cb 1.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1pqn h GLU 117 CO -0.02 0.33 -0.62 1.15 -2.18 0.00 0.00 179.01 177.67 1pqn h THR 118 N -0.41 1.43 -0.23 0.32 2.02 -0.87 -2.83 112.91 112.33 1pqn h THR 118 Ca -0.00 -2.09 -0.06 0.00 0.77 0.00 0.00 66.41 65.03 1pqn h THR 118 Cb 0.39 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1pqn h THR 118 CO 0.01 0.60 -0.09 0.58 0.37 0.00 0.00 175.52 176.98 1pqn h VAL 119 N 0.05 1.30 -0.41 3.16 2.07 -0.18 -2.74 116.25 119.49 1pqn h VAL 119 Ca -0.01 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1pqn h VAL 119 Cb 1.11 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1pqn h VAL 119 CO 0.09 0.35 -0.01 0.10 0.02 0.00 0.00 177.57 178.12 1pqn h TYR 120 N 0.20 0.71 -0.48 1.57 -0.00 -1.19 1.05 116.97 118.84 1pqn h TYR 120 Ca 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 58.73 58.64 1pqn h TYR 120 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 1pqn h TYR 120 CO 0.06 0.68 0.09 -0.09 -0.00 0.00 0.00 178.16 178.90 1pqn h ARG 121 N 0.63 0.73 0.01 0.10 2.43 -1.42 -3.18 114.38 113.68 1pqn h ARG 121 Ca 0.13 -0.15 -0.36 0.00 -0.81 0.00 0.00 59.98 58.79 1pqn h ARG 121 Cb 0.42 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1pqn h ARG 121 CO 0.02 0.69 -1.95 0.41 -1.51 0.00 0.00 179.97 177.62 1pqn n GLY 122 N -0.87 -0.63 2.33 2.80 0.00 -1.02 -4.50 105.19 103.30 1pqn n GLY 122 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1pqn n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqn n ALA 123 N -3.78 7.00 -1.10 4.61 0.00 0.36 -4.93 120.51 122.68 1pqn n ALA 123 Ca -0.43 -3.32 -0.01 0.00 0.00 0.00 0.00 53.44 49.67 1pqn n ALA 123 Cb 0.81 -2.86 0.01 0.00 0.00 0.00 0.00 19.45 17.41 1pqn n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pqn n ARG 124 N 2.51 -0.05 0.05 0.00 1.74 -1.20 -4.71 116.66 115.00 1pqn n ARG 124 Ca 0.64 -0.11 -0.02 0.00 -0.77 0.00 0.00 57.85 57.58 1pqn n ARG 124 Cb 0.40 -0.07 -0.01 0.00 -1.02 0.00 0.00 32.46 31.76 1pqn n ARG 124 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1pqn h LYS 125 N 0.00 -0.14 0.00 5.56 3.64 -1.89 -3.44 116.57 120.29 1pqn h LYS 125 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1pqn h LYS 125 Cb 0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pqn h LYS 125 CO 0.02 -0.09 0.00 0.41 -2.27 0.00 0.00 179.45 177.51 1pqn n GLY 126 N 0.84 0.79 2.70 5.01 0.00 -1.26 -4.98 105.19 108.29 1pqn n GLY 126 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pqn n GLY 126 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pqn n ARG 127 N 0.00 -3.39 0.00 1.61 3.00 -1.26 -5.09 116.66 111.53 1pqn n ARG 127 Ca 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 57.85 60.58 1pqn n ARG 127 Cb 0.00 -5.33 0.00 0.00 0.00 0.00 0.00 32.46 27.13 1pqn n ARG 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04