#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqn n TYR 3 N 0.00 0.00 0.00 7.33 4.19 -1.26 -4.77 117.16 122.65 1pqn n TYR 3 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1pqn n TYR 3 Cb 0.00 -0.77 0.00 0.00 0.49 0.00 0.00 39.34 39.06 1pqn n TYR 3 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pqn n MET 4 N -2.98 0.00 -1.47 2.98 0.00 -1.26 -4.35 117.12 110.04 1pqn n MET 4 Ca -0.34 0.25 -0.45 0.00 0.00 0.00 0.00 57.70 57.16 1pqn n MET 4 Cb 0.91 -1.02 -0.08 0.00 0.00 0.00 0.00 33.22 33.03 1pqn n MET 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1pqn n LEU 5 N -0.79 1.64 -4.76 3.17 -0.00 -1.26 -4.87 117.00 110.14 1pqn n LEU 5 Ca 0.00 0.14 -0.41 0.00 -0.00 0.00 0.00 56.01 55.73 1pqn n LEU 5 Cb 0.00 -1.24 -0.01 0.00 -0.00 0.00 0.00 43.42 42.17 1pqn n LEU 5 CO 0.00 -0.94 1.23 -2.65 -0.00 0.00 0.00 177.39 175.03 1pqn n PRO 6 N 8.44 2.73 -3.16 1.96 -0.02 -1.26 -4.81 135.00 138.88 1pqn n PRO 6 Ca 0.47 0.97 -0.19 0.00 -2.02 0.00 0.00 63.50 62.73 1pqn n PRO 6 Cb 0.24 -2.74 -0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1pqn n PRO 6 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1pqn n HIS 7 N 1.69 -0.82 -3.05 6.00 1.44 -1.26 -2.57 115.22 116.65 1pqn n HIS 7 Ca 0.06 -1.65 -0.05 0.00 -2.01 0.00 0.00 57.72 54.08 1pqn n HIS 7 Cb 0.38 -0.32 0.02 0.00 0.12 0.00 0.00 29.99 30.19 1pqn n HIS 7 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1pqn n LEU 8 N 0.00 0.00 0.00 2.39 4.32 0.13 -4.74 117.00 119.11 1pqn n LEU 8 Ca -0.02 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 1pqn n LEU 8 Cb 0.44 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1pqn n LEU 8 CO 0.26 -0.54 0.00 1.57 -1.22 0.00 0.00 177.39 177.46 1pqn n HIS 9 N -1.28 -0.47 -3.59 -1.77 -0.00 -1.26 -4.81 115.22 102.04 1pqn n HIS 9 Ca 0.04 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.15 1pqn n HIS 9 Cb 0.15 0.34 0.01 0.00 -0.12 0.00 0.00 29.99 30.37 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 -2.18 -1.27 0.24 0.26 4.13 -1.26 -4.53 115.26 110.64 1pqn n ASN 10 Ca 0.00 -2.04 0.14 0.00 1.68 0.00 0.00 54.58 54.36 1pqn n ASN 10 Cb 0.00 2.17 0.79 0.00 -1.54 0.00 0.00 39.78 41.20 1pqn n ASN 10 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1pqn h GLY 11 N 1.23 0.00 0.77 7.41 0.00 -1.98 -2.09 103.07 108.41 1pqn h GLY 11 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1pqn h GLY 11 CO 0.25 0.00 0.09 -0.25 0.00 0.00 0.00 176.54 176.63 1pqn h TRP 12 N 0.00 0.16 0.00 5.60 2.91 -1.99 0.22 115.95 122.85 1pqn h TRP 12 Ca 0.04 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 59.96 1pqn h TRP 12 Cb 0.22 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1pqn h TRP 12 CO 0.00 0.07 -0.57 1.96 -1.03 0.00 0.00 178.44 178.87 1pqn h GLN 13 N 0.21 0.00 0.48 2.65 1.08 -1.83 -2.83 115.11 114.86 1pqn h GLN 13 Ca 0.12 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1pqn h GLN 13 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1pqn h GLN 13 CO -0.13 0.57 -0.23 0.28 -0.95 0.00 0.00 178.83 178.37 1pqn h VAL 14 N 0.00 0.02 -0.25 -0.54 2.07 -0.80 0.39 116.25 117.13 1pqn h VAL 14 Ca -0.01 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1pqn h VAL 14 Cb 1.30 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1pqn h VAL 14 CO 0.07 0.00 0.17 -0.78 0.02 0.00 0.00 177.57 177.06 1pqn h ASP 15 N -1.17 0.16 0.92 0.57 1.82 -0.71 -1.14 116.42 116.87 1pqn h ASP 15 Ca -0.07 -0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.36 1pqn h ASP 15 Cb 0.50 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1pqn h ASP 15 CO 0.11 0.11 -1.12 -0.61 -1.61 0.00 0.00 179.24 176.11 1pqn h GLN 16 N 0.19 0.00 -0.49 0.28 5.75 -1.53 -3.31 115.11 115.99 1pqn h GLN 16 Ca 0.11 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1pqn h GLN 16 Cb 0.19 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1pqn h GLN 16 CO -0.02 0.82 -0.05 0.00 -2.65 0.00 0.00 178.83 176.93 1pqn h ALA 17 N 1.06 0.99 -0.41 3.38 0.00 0.10 0.86 119.26 125.24 1pqn h ALA 17 Ca -0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pqn h ALA 17 Cb 1.78 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1pqn h ALA 17 CO 0.11 0.61 0.25 0.82 0.00 0.00 0.00 179.25 181.04 1pqn h ILE 18 N 0.78 1.06 0.00 0.00 2.04 -1.50 -2.63 117.51 117.26 1pqn h ILE 18 Ca 0.14 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.65 1pqn h ILE 18 Cb 0.54 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1pqn h ILE 18 CO 0.03 0.09 -1.18 0.25 0.00 0.00 0.00 178.15 177.34 1pqn h LEU 19 N 0.52 0.00 -1.78 1.44 5.85 -1.64 -3.33 115.31 116.36 1pqn h LEU 19 Ca 0.16 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1pqn h LEU 19 Cb -0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1pqn h LEU 19 CO -0.06 0.68 0.24 -1.28 -0.34 0.00 0.00 178.44 177.68 1pqn h SER 20 N 0.00 0.24 -0.22 1.25 0.87 0.97 -3.34 113.55 113.33 1pqn h SER 20 Ca -0.12 -0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.05 1pqn h SER 20 Cb 1.63 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1pqn h SER 20 CO 0.07 0.16 1.23 -1.84 -0.53 0.00 0.00 176.83 175.92 1pqn n GLU 21 N -4.48 1.10 -1.13 2.24 0.28 -1.01 -4.64 120.64 113.00 1pqn n GLU 21 Ca 0.04 -1.99 -0.21 0.00 -0.16 0.00 0.00 57.16 54.84 1pqn n GLU 21 Cb 0.22 -3.41 0.17 0.00 1.43 0.00 0.00 31.44 29.85 1pqn n GLU 21 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1pqn n GLU 22 N 7.89 2.23 -0.07 3.44 1.02 -1.26 -4.24 120.64 129.65 1pqn n GLU 22 Ca 0.46 -2.78 -0.11 0.00 -0.02 0.00 0.00 57.16 54.71 1pqn n GLU 22 Cb 0.45 -2.09 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 1pqn n GLU 22 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pqn n ASP 23 N -0.98 2.49 0.00 1.62 8.00 -1.26 -5.09 116.55 121.33 1pqn n ASP 23 Ca 0.55 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1pqn n ASP 23 Cb 1.58 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.42 1pqn n ASP 23 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pqn n ARG 24 N -3.07 0.00 -2.47 -1.24 1.74 0.36 -4.69 116.66 107.28 1pqn n ARG 24 Ca -0.24 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.78 1pqn n ARG 24 Cb 0.73 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.16 1pqn n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pqn n VAL 25 N 0.00 0.00 -3.63 1.55 0.31 -1.07 -4.60 118.33 110.88 1pqn n VAL 25 Ca 0.00 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1pqn n VAL 25 Cb 0.00 0.10 -0.07 0.00 -0.91 0.00 0.00 33.84 32.96 1pqn n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pqn s VAL 26 N -1.42 0.00 -0.02 2.52 0.11 -0.67 -2.58 120.40 118.34 1pqn s VAL 26 Ca 0.01 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1pqn s VAL 26 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1pqn s VAL 26 CO 0.00 0.00 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.95 1pqn s VAL 27 N 0.36 3.13 -0.06 2.04 1.01 0.37 0.27 120.40 127.52 1pqn s VAL 27 Ca 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1pqn s VAL 27 Cb -0.05 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1pqn s VAL 27 CO -0.03 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 1pqn s ILE 28 N -0.83 0.16 -0.43 2.22 -1.09 -0.06 0.22 121.20 121.39 1pqn s ILE 28 Ca 0.13 0.25 -0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1pqn s ILE 28 Cb -0.11 -0.36 0.12 0.00 -1.58 0.00 0.00 42.46 40.53 1pqn s ILE 28 CO 0.03 0.22 0.20 -0.60 -1.23 0.00 0.00 174.94 173.57 1pqn s ARG 29 N 2.02 1.94 0.27 2.79 3.52 -1.07 0.26 118.95 128.68 1pqn s ARG 29 Ca 0.04 -2.02 0.04 0.00 -0.13 0.00 0.00 55.73 53.66 1pqn s ARG 29 Cb -0.12 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1pqn s ARG 29 CO -0.04 -1.06 0.41 -0.59 -0.81 0.00 0.00 175.30 173.21 1pqn s PHE 30 N 0.76 3.46 0.00 5.12 -0.71 -0.14 -1.51 117.98 124.96 1pqn s PHE 30 Ca 0.11 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 56.08 1pqn s PHE 30 Cb -0.22 -1.66 0.00 0.00 -1.21 0.00 0.00 43.02 39.94 1pqn s PHE 30 CO -0.05 0.36 0.00 0.41 -1.34 0.00 0.00 175.22 174.60 1pqn n GLY 31 N -1.49 3.88 3.23 1.99 0.00 -1.03 -0.08 105.19 111.70 1pqn n GLY 31 Ca -0.08 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.56 0.37 1.61 3.76 -1.25 -4.39 115.29 114.82 1pqn s HIS 32 Ca 0.00 0.75 0.12 0.00 -0.15 0.00 0.00 55.06 55.78 1pqn s HIS 32 Cb 0.00 0.25 0.71 0.00 1.11 0.00 0.00 32.58 34.65 1pqn s HIS 32 CO 0.00 -0.30 1.82 0.22 -0.85 0.00 0.00 174.74 175.64 1pqn h ASP 33 N 7.72 0.04 -0.70 1.40 1.82 -1.90 -2.71 116.42 122.10 1pqn h ASP 33 Ca -0.15 -0.01 -0.34 0.00 -0.39 0.00 0.00 57.03 56.14 1pqn h ASP 33 Cb 1.15 -0.01 -0.20 0.00 0.68 0.00 0.00 39.33 40.94 1pqn h ASP 33 CO -0.01 0.39 0.31 1.87 -1.61 0.00 0.00 179.24 180.20 1pqn n TRP 34 N -4.11 2.17 -2.97 0.28 -0.00 -1.26 -4.92 117.44 106.64 1pqn n TRP 34 Ca -0.02 -1.66 -0.35 0.00 -0.00 0.00 0.00 57.50 55.47 1pqn n TRP 34 Cb 0.40 -0.73 -0.06 0.00 -0.00 0.00 0.00 31.31 30.92 1pqn n TRP 34 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1pqn s ASP 35 N -1.78 7.02 0.39 5.87 2.15 -1.02 -4.97 116.67 124.32 1pqn s ASP 35 Ca 0.52 1.54 0.09 0.00 0.43 0.00 0.00 52.55 55.12 1pqn s ASP 35 Cb 0.44 -2.47 0.78 0.00 -0.30 0.00 0.00 42.92 41.37 1pqn s ASP 35 CO 0.07 -0.15 1.94 1.55 -0.17 0.00 0.00 175.17 178.40 1pqn h PRO 36 N 2.69 0.32 0.03 4.34 0.13 -1.93 -2.79 132.00 134.79 1pqn h PRO 36 Ca -0.48 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1pqn h PRO 36 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pqn h PRO 36 CO 0.64 0.39 -0.01 1.15 -0.23 0.00 0.00 178.00 179.94 1pqn h THR 37 N 0.31 1.04 -0.21 1.56 2.02 -1.93 -2.43 112.91 113.26 1pqn h THR 37 Ca 0.07 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1pqn h THR 37 Cb 0.30 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1pqn h THR 37 CO 0.01 0.05 0.14 0.00 0.37 0.00 0.00 175.52 176.10 1pqn h MET 39 N 0.24 0.52 -0.13 0.00 2.86 -1.19 0.12 114.93 117.36 1pqn h MET 39 Ca 0.08 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1pqn h MET 39 Cb 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1pqn h MET 39 CO -0.02 0.65 -0.14 0.87 1.06 0.00 0.00 176.91 179.33 1pqn h LYS 40 N 0.48 0.32 -0.15 1.72 6.56 -0.90 0.25 116.57 124.86 1pqn h LYS 40 Ca 0.09 -0.17 -0.14 0.00 -1.06 0.00 0.00 60.65 59.36 1pqn h LYS 40 Cb 0.52 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1pqn h LYS 40 CO 0.03 0.73 -0.52 1.98 -2.06 0.00 0.00 179.45 179.61 1pqn h MET 41 N -0.07 0.41 -0.04 3.15 4.05 -1.41 -2.83 114.93 118.19 1pqn h MET 41 Ca 0.02 -0.25 -0.06 0.00 -0.28 0.00 0.00 59.70 59.14 1pqn h MET 41 Cb 0.67 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1pqn h MET 41 CO 0.03 0.83 -0.19 -0.44 0.23 0.00 0.00 176.91 177.38 1pqn h ASP 42 N 0.32 0.24 -0.74 1.39 5.19 -0.76 0.39 116.42 122.46 1pqn h ASP 42 Ca 0.01 -0.65 0.14 0.00 -0.62 0.00 0.00 57.03 55.91 1pqn h ASP 42 Cb 1.02 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.41 1pqn h ASP 42 CO 0.09 0.85 0.49 1.05 -3.12 0.00 0.00 179.24 178.61 1pqn h GLU 43 N -0.36 0.41 0.13 3.56 4.11 -0.52 -1.70 114.58 120.21 1pqn h GLU 43 Ca -0.01 -0.02 -0.35 0.00 0.07 0.00 0.00 59.36 59.05 1pqn h GLU 43 Cb 0.85 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1pqn h GLU 43 CO 0.04 0.27 -1.82 -0.24 0.07 0.00 0.00 179.01 177.33 1pqn h VAL 44 N 0.42 0.82 -1.30 -1.06 3.04 -1.49 -3.35 116.25 113.33 1pqn h VAL 44 Ca 0.36 -2.50 0.38 0.00 -1.01 0.00 0.00 66.70 63.93 1pqn h VAL 44 Cb 0.81 2.62 -0.05 0.00 -2.01 0.00 0.00 31.29 32.66 1pqn h VAL 44 CO -0.11 0.84 0.98 -0.07 -1.01 0.00 0.00 177.57 178.20 1pqn h LEU 45 N 0.08 0.00 -0.25 3.16 3.38 0.74 0.74 115.31 123.16 1pqn h LEU 45 Ca -0.36 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.41 1pqn h LEU 45 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1pqn h LEU 45 CO 0.13 0.00 -0.66 0.22 0.09 0.00 0.00 178.44 178.22 1pqn h TYR 46 N 0.00 1.07 -0.34 1.13 3.20 -1.63 1.14 116.97 121.53 1pqn h TYR 46 Ca 0.62 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1pqn h TYR 46 Cb 2.57 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.66 1pqn h TYR 46 CO 0.00 1.25 0.00 0.43 -1.64 0.00 0.00 178.16 178.20 1pqn n SER 47 N -3.97 2.04 0.00 -2.11 7.64 0.25 -3.58 113.62 113.88 1pqn n SER 47 Ca -0.06 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1pqn n SER 47 Cb 0.68 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1pqn n SER 47 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1pqn n ILE 48 N 0.60 0.00 0.08 0.44 -5.35 -0.38 -4.88 119.36 109.87 1pqn n ILE 48 Ca 0.14 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.59 1pqn n ILE 48 Cb 0.34 -0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.17 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pqn h ALA 49 N 0.00 0.55 -0.93 -1.28 0.00 0.11 -3.31 119.26 114.40 1pqn h ALA 49 Ca 0.00 -0.79 0.27 0.00 0.00 0.00 0.00 54.91 54.40 1pqn h ALA 49 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1pqn h ALA 49 CO 0.00 1.01 0.82 0.93 0.00 0.00 0.00 179.25 182.01 1pqn h GLU 50 N 0.00 0.00 0.07 0.00 5.08 -1.52 1.14 114.58 119.35 1pqn h GLU 50 Ca -0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 1pqn h GLU 50 Cb 1.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 1pqn h GLU 50 CO 0.09 0.00 -1.49 1.57 -1.00 0.00 0.00 179.01 178.18 1pqn h LYS 51 N 0.00 0.15 -0.02 2.33 2.10 -1.87 -3.33 116.57 115.93 1pqn h LYS 51 Ca 0.44 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1pqn h LYS 51 Cb 2.08 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 33.51 1pqn h LYS 51 CO -0.00 0.96 -0.12 1.33 -2.00 0.00 0.00 179.45 179.61 1pqn n VAL 52 N -3.35 0.00 -0.09 0.07 0.24 0.15 -4.36 118.33 110.99 1pqn n VAL 52 Ca -0.14 -0.35 0.26 0.00 -2.04 0.00 0.00 64.34 62.07 1pqn n VAL 52 Cb 1.03 1.10 0.70 0.00 -1.47 0.00 0.00 33.84 35.20 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 3.33 0.00 0.00 7.34 3.64 0.96 0.91 116.57 132.75 1pqn h LYS 53 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1pqn h LYS 53 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1pqn h LYS 53 CO 0.00 0.00 -0.34 -0.97 -2.27 0.00 0.00 179.45 175.87 1pqn h ASN 54 N 0.00 0.00 0.00 4.20 -1.24 -1.84 -3.38 115.58 113.32 1pqn h ASN 54 Ca 0.36 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.33 1pqn h ASN 54 Cb 1.73 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.77 1pqn h ASN 54 CO -0.00 0.34 -0.94 0.49 -1.29 0.00 0.00 177.43 176.02 1pqn n PHE 55 N -3.36 0.00 -3.92 0.67 3.01 0.27 -4.72 117.46 109.40 1pqn n PHE 55 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1pqn n PHE 55 Cb 0.54 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 1pqn n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pqn s ALA 56 N -2.68 3.96 -0.09 4.37 0.00 0.13 -0.49 121.76 126.97 1pqn s ALA 56 Ca -0.24 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1pqn s ALA 56 Cb 0.04 -1.80 0.05 0.00 0.00 0.00 0.00 23.12 21.41 1pqn s ALA 56 CO 0.34 0.54 0.18 0.14 0.00 0.00 0.00 175.76 176.97 1pqn s VAL 57 N -1.74 -0.24 0.31 0.00 -7.23 -1.07 -3.88 120.40 106.55 1pqn s VAL 57 Ca 0.35 0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.84 1pqn s VAL 57 Cb -0.11 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 1pqn s VAL 57 CO 0.29 0.13 0.48 -0.51 -0.31 0.00 0.00 175.10 175.17 1pqn s ILE 58 N 2.06 5.10 -0.29 -0.62 2.07 -1.26 -0.48 121.20 127.78 1pqn s ILE 58 Ca -0.00 -0.68 -0.14 0.00 -1.41 0.00 0.00 60.65 58.42 1pqn s ILE 58 Cb -0.12 -3.84 0.11 0.00 0.13 0.00 0.00 42.46 38.75 1pqn s ILE 58 CO -0.06 -0.45 0.73 -0.31 -1.91 0.00 0.00 174.94 172.93 1pqn s TYR 59 N -2.19 -1.08 0.76 3.50 2.02 0.13 -4.69 117.35 115.80 1pqn s TYR 59 Ca 0.38 2.02 -0.11 0.00 -0.37 0.00 0.00 57.07 58.99 1pqn s TYR 59 Cb -0.09 0.65 0.05 0.00 -0.40 0.00 0.00 41.96 42.16 1pqn s TYR 59 CO 0.33 -0.54 1.09 -0.51 -1.57 0.00 0.00 175.55 174.35 1pqn s LEU 60 N 2.15 2.77 -0.09 -1.29 2.01 -1.06 -2.60 118.68 120.57 1pqn s LEU 60 Ca -0.08 1.38 -0.08 0.00 0.01 0.00 0.00 54.13 55.37 1pqn s LEU 60 Cb -0.08 -4.08 0.03 0.00 0.01 0.00 0.00 46.19 42.07 1pqn s LEU 60 CO -0.19 -1.78 0.23 -0.69 1.01 0.00 0.00 176.35 174.94 1pqn s VAL 61 N -3.14 -0.01 -0.49 -1.59 1.01 -0.57 0.22 120.40 115.83 1pqn s VAL 61 Ca 0.60 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1pqn s VAL 61 Cb -0.14 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 35.98 1pqn s VAL 61 CO 0.54 0.01 0.46 -1.81 0.00 0.00 0.00 175.10 174.30 1pqn s ASP 62 N 0.34 6.17 0.43 3.32 1.11 -1.26 -2.45 116.67 124.32 1pqn s ASP 62 Ca -0.02 -1.30 0.20 0.00 0.18 0.00 0.00 52.55 51.61 1pqn s ASP 62 Cb -0.03 -2.21 0.96 0.00 1.07 0.00 0.00 42.92 42.70 1pqn s ASP 62 CO -0.01 -0.73 1.88 -0.29 1.18 0.00 0.00 175.17 177.20 1pqn h ILE 63 N 5.79 0.90 0.05 0.77 2.10 -1.86 0.39 117.51 125.66 1pqn h ILE 63 Ca -0.28 -1.08 -0.29 0.00 1.08 0.00 0.00 64.86 64.29 1pqn h ILE 63 Cb 1.11 1.64 -0.03 0.00 -1.09 0.00 0.00 36.82 38.44 1pqn h ILE 63 CO 0.92 0.27 -1.54 0.74 -1.08 0.00 0.00 178.15 177.46 1pqn h THR 64 N 0.00 1.09 0.04 2.19 2.02 -1.91 -3.36 112.91 112.99 1pqn h THR 64 Ca -0.00 -2.84 -0.26 0.00 0.77 0.00 0.00 66.41 64.08 1pqn h THR 64 Cb 0.61 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1pqn h THR 64 CO 0.04 0.72 -1.32 -0.08 0.37 0.00 0.00 175.52 175.25 1pqn h GLU 65 N 0.03 0.09 -6.06 6.66 4.81 -1.91 -3.45 114.58 114.74 1pqn h GLU 65 Ca -0.23 -0.16 -0.58 0.00 -0.13 0.00 0.00 59.36 58.26 1pqn h GLU 65 Cb 1.97 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.35 1pqn h GLU 65 CO 0.12 0.95 -0.07 0.08 -0.73 0.00 0.00 179.01 179.36 1pqn s VAL 66 N -2.66 4.92 -1.01 0.32 1.01 0.14 -4.97 120.40 118.15 1pqn s VAL 66 Ca -0.03 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1pqn s VAL 66 Cb 0.08 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1pqn s VAL 66 CO 0.84 0.47 2.20 -0.81 0.00 0.00 0.00 175.10 177.79 1pqn n PRO 67 N 2.45 2.24 -0.98 2.72 -0.04 -1.26 -4.75 135.00 135.37 1pqn n PRO 67 Ca -0.09 -1.65 -0.10 0.00 -0.04 0.00 0.00 63.50 61.61 1pqn n PRO 67 Cb 0.51 -2.60 0.07 0.00 -0.04 0.00 0.00 33.50 31.44 1pqn n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pqn n ASP 68 N 4.67 0.23 -0.18 3.54 8.00 -1.26 -4.97 116.55 126.58 1pqn n ASP 68 Ca 0.50 -1.29 -0.03 0.00 0.71 0.00 0.00 54.79 54.68 1pqn n ASP 68 Cb 0.19 -0.34 0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1pqn n ASP 68 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1pqn h PHE 69 N -0.97 0.42 0.00 1.24 -1.00 -1.93 -3.44 116.94 111.25 1pqn h PHE 69 Ca -0.15 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1pqn h PHE 69 Cb 0.46 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1pqn h PHE 69 CO 0.00 0.17 0.00 0.09 -1.61 0.00 0.00 178.31 176.96 1pqn n ASN 70 N -4.94 0.00 -1.25 2.17 3.02 -1.26 -4.91 115.26 108.09 1pqn n ASN 70 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1pqn n ASN 70 Cb 0.19 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1pqn n ASN 70 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pqn n LYS 71 N 0.00 -1.67 -1.54 3.52 4.76 -1.26 -2.17 118.16 119.79 1pqn n LYS 71 Ca 0.00 1.10 -0.28 0.00 -2.87 0.00 0.00 58.31 56.26 1pqn n LYS 71 Cb 0.00 -2.03 -0.05 0.00 -1.84 0.00 0.00 35.03 31.10 1pqn n LYS 71 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1pqn n MET 72 N -3.27 2.67 0.21 1.97 0.00 -1.26 -4.14 117.12 113.29 1pqn n MET 72 Ca 0.01 -2.46 0.00 0.00 0.00 0.00 0.00 57.70 55.25 1pqn n MET 72 Cb 0.38 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1pqn n MET 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1pqn n TYR 73 N 1.01 -4.33 -0.23 1.12 4.02 -1.25 -4.93 117.16 112.58 1pqn n TYR 73 Ca 0.50 1.40 0.22 0.00 -0.01 0.00 0.00 57.90 60.01 1pqn n TYR 73 Cb 0.52 3.42 0.57 0.00 -0.02 0.00 0.00 39.34 43.83 1pqn n TYR 73 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1pqn h GLU 74 N 0.00 0.29 -7.19 -0.72 5.08 -1.61 -3.42 114.58 107.01 1pqn h GLU 74 Ca 0.00 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 1pqn h GLU 74 Cb 0.00 -0.06 0.14 0.00 0.50 0.00 0.00 28.75 29.33 1pqn h GLU 74 CO 0.00 0.19 0.38 -0.51 -1.00 0.00 0.00 179.01 178.07 1pqn s LEU 75 N -9.20 3.32 -1.69 1.33 1.02 -1.25 -2.69 118.68 109.51 1pqn s LEU 75 Ca -0.07 2.24 0.00 0.00 0.02 0.00 0.00 54.13 56.32 1pqn s LEU 75 Cb 0.22 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.86 1pqn s LEU 75 CO 0.78 -2.12 0.00 0.00 0.02 0.00 0.00 176.35 175.03 1pqn n TYR 76 N -2.70 0.00 -3.24 0.29 4.19 -1.26 -4.96 117.16 109.48 1pqn n TYR 76 Ca 0.12 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.95 1pqn n TYR 76 Cb 0.51 -3.00 -0.06 0.00 0.49 0.00 0.00 39.34 37.29 1pqn n TYR 76 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1pqn s ASP 77 N -2.67 6.80 0.05 2.98 -1.08 -1.09 -5.01 116.67 116.65 1pqn s ASP 77 Ca 0.00 0.95 -0.22 0.00 -0.52 0.00 0.00 52.55 52.77 1pqn s ASP 77 Cb 0.00 -2.33 -0.10 0.00 -1.46 0.00 0.00 42.92 39.03 1pqn s ASP 77 CO 0.00 -0.00 1.34 -0.65 0.52 0.00 0.00 175.17 176.37 1pqn h PRO 78 N 6.53 -0.57 0.00 4.34 0.11 -1.90 -3.43 132.00 137.08 1pqn h PRO 78 Ca -0.42 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1pqn h PRO 78 Cb 1.19 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1pqn h PRO 78 CO 0.74 -0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1pqn s THR 80 N -2.00 0.07 0.30 0.00 -1.32 0.89 -3.86 115.64 109.71 1pqn s THR 80 Ca 0.00 -0.57 0.07 0.00 -1.21 0.00 0.00 61.69 59.99 1pqn s THR 80 Cb 0.00 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.18 1pqn s THR 80 CO 0.00 -0.31 0.27 0.54 -2.21 0.00 0.00 174.62 172.91 1pqn s VAL 81 N -1.94 4.02 -0.30 5.08 0.11 -1.22 -0.96 120.40 125.18 1pqn s VAL 81 Ca -0.09 -1.33 -0.11 0.00 -2.93 0.00 0.00 61.98 57.51 1pqn s VAL 81 Cb -0.03 -3.32 0.17 0.00 -1.53 0.00 0.00 36.38 31.67 1pqn s VAL 81 CO 0.01 -0.25 0.92 -0.04 -3.33 0.00 0.00 175.10 172.41 1pqn s MET 82 N -3.95 0.32 0.38 1.54 -1.94 0.14 -4.86 119.30 110.92 1pqn s MET 82 Ca 0.38 0.65 -0.13 0.00 -1.71 0.00 0.00 55.69 54.89 1pqn s MET 82 Cb -0.07 0.38 -0.08 0.00 2.01 0.00 0.00 34.83 37.07 1pqn s MET 82 CO 0.26 -0.25 0.77 -0.06 -0.01 0.00 0.00 175.02 175.74 1pqn s PHE 83 N 2.75 3.43 -0.03 -0.03 0.40 -0.52 -0.89 117.98 123.10 1pqn s PHE 83 Ca 0.02 1.14 0.02 0.00 -0.60 0.00 0.00 56.93 57.52 1pqn s PHE 83 Cb -0.10 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 40.94 1pqn s PHE 83 CO -0.16 -0.04 -0.07 -0.06 0.70 0.00 0.00 175.22 175.59 1pqn s PHE 84 N -2.23 0.84 -0.03 0.36 0.40 0.14 -2.13 117.98 115.33 1pqn s PHE 84 Ca 0.53 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.53 1pqn s PHE 84 Cb -0.10 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.81 1pqn s PHE 84 CO 0.26 -0.12 0.26 0.12 0.70 0.00 0.00 175.22 176.43 1pqn s PHE 85 N 0.39 -0.15 -0.99 0.36 5.36 -1.26 -1.67 117.98 120.02 1pqn s PHE 85 Ca -0.06 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1pqn s PHE 85 Cb -0.10 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1pqn s PHE 85 CO 0.00 -0.31 0.00 -2.13 -1.46 0.00 0.00 175.22 171.33 1pqn n ARG 86 N 1.69 -2.26 -2.47 10.12 3.00 -1.26 0.21 116.66 125.69 1pqn n ARG 86 Ca -0.20 0.56 -0.20 0.00 -0.00 0.00 0.00 57.85 58.01 1pqn n ARG 86 Cb 0.56 -5.15 -0.00 0.00 0.00 0.00 0.00 32.46 27.87 1pqn n ARG 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pqn n ASN 87 N -1.76 -5.79 -1.81 6.15 5.15 -1.26 -4.98 115.26 110.96 1pqn n ASN 87 Ca -0.14 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1pqn n ASN 87 Cb 0.60 -4.78 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 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 -3.07 1.95 -4.02 1.20 3.00 0.13 -5.08 118.16 112.28 1pqn n LYS 88 Ca -0.22 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.74 1pqn n LYS 88 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.57 1pqn n LYS 88 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1pqn s HIS 89 N -0.35 3.00 -0.07 5.64 3.76 -1.26 -4.03 115.29 121.97 1pqn s HIS 89 Ca 0.00 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1pqn s HIS 89 Cb 0.00 -2.09 0.02 0.00 1.11 0.00 0.00 32.58 31.62 1pqn s HIS 89 CO 0.00 -0.37 -0.07 0.42 -0.85 0.00 0.00 174.74 173.87 1pqn s ILE 90 N 1.21 0.82 0.00 0.60 -1.09 -0.90 -4.97 121.20 116.87 1pqn s ILE 90 Ca 0.03 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1pqn s ILE 90 Cb -0.14 -0.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1pqn s ILE 90 CO 0.00 0.31 0.00 0.23 -1.23 0.00 0.00 174.94 174.25 1pqn n MET 91 N 4.37 0.00 0.00 2.79 2.81 -1.26 -1.43 117.12 124.39 1pqn n MET 91 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1pqn n MET 91 Cb 0.51 -0.40 0.00 0.00 -0.71 0.00 0.00 33.22 32.61 1pqn n MET 91 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1pqn n ILE 92 N -0.69 0.00 -4.31 2.02 -5.35 -1.26 -3.56 119.36 106.20 1pqn n ILE 92 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 1pqn n ILE 92 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1pqn n ILE 92 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pqn s ASP 93 N -4.00 1.18 -0.08 7.28 1.01 -1.26 -4.86 116.67 115.95 1pqn s ASP 93 Ca 0.00 -1.43 0.10 0.00 0.71 0.00 0.00 52.55 51.92 1pqn s ASP 93 Cb 0.00 0.24 -0.14 0.00 1.01 0.00 0.00 42.92 44.04 1pqn s ASP 93 CO 0.00 -0.78 0.08 0.00 0.21 0.00 0.00 175.17 174.68 1pqn n LEU 94 N -0.48 0.00 0.00 1.23 -0.00 -1.26 -4.95 117.00 111.54 1pqn n LEU 94 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1pqn n LEU 94 Cb 0.66 0.19 0.00 0.00 -0.00 0.00 0.00 43.42 44.27 1pqn n LEU 94 CO 0.36 0.19 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 1pqn n GLY 95 N 2.26 0.34 1.86 1.47 0.00 -1.26 -3.88 105.19 105.97 1pqn n GLY 95 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1pqn n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pqn n THR 96 N -0.50 0.00 0.00 2.61 -1.04 -1.26 -4.71 114.28 109.38 1pqn n THR 96 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pqn n THR 96 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1pqn n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pqn n GLY 97 N -1.49 1.49 0.38 3.41 0.00 -1.26 -4.76 105.19 102.96 1pqn n GLY 97 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1pqn n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pqn n ASN 98 N 4.18 -0.33 -1.22 1.61 5.15 -1.26 -5.00 115.26 118.39 1pqn n ASN 98 Ca 0.00 0.24 -0.06 0.00 -0.60 0.00 0.00 54.58 54.16 1pqn n ASN 98 Cb 0.00 0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 1pqn n ASN 98 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pqn n ASN 99 N -2.25 -0.97 -2.39 1.20 5.15 -1.26 -5.14 115.26 109.59 1pqn n ASN 99 Ca 0.00 -1.84 -0.07 0.00 -0.60 0.00 0.00 54.58 52.07 1pqn n ASN 99 Cb 0.00 0.33 0.02 0.00 -0.53 0.00 0.00 39.78 39.60 1pqn n ASN 99 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pqn n ASN 100 N -0.23 -1.80 -4.52 1.20 4.13 -1.26 -5.15 115.26 107.63 1pqn n ASN 100 Ca -0.24 -2.24 -0.40 0.00 1.68 0.00 0.00 54.58 53.38 1pqn n ASN 100 Cb 0.68 2.99 0.02 0.00 -1.54 0.00 0.00 39.78 41.94 1pqn n ASN 100 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pqn n LYS 101 N -0.42 0.79 -1.93 3.52 3.00 -1.26 -4.78 118.16 117.09 1pqn n LYS 101 Ca -0.07 0.29 -0.36 0.00 -0.00 0.00 0.00 58.31 58.18 1pqn n LYS 101 Cb 0.46 -1.78 -0.04 0.00 0.00 0.00 0.00 35.03 33.67 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1pqn n ILE 102 N -1.11 2.45 -0.05 3.15 2.08 -1.26 -4.46 119.36 120.15 1pqn n ILE 102 Ca 0.11 -2.43 -0.01 0.00 0.56 0.00 0.00 62.75 60.98 1pqn n ILE 102 Cb 0.43 -2.28 -0.14 0.00 -0.75 0.00 0.00 39.64 36.90 1pqn n ILE 102 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1pqn n ASN 103 N 10.81 0.70 -3.43 4.38 6.94 -1.25 -3.42 115.26 129.99 1pqn n ASN 103 Ca 0.47 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.73 1pqn n ASN 103 Cb 0.44 1.32 -0.05 0.00 -2.36 0.00 0.00 39.78 39.14 1pqn n ASN 103 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1pqn n TRP 104 N -2.44 3.45 -1.10 -2.53 7.02 -1.26 -4.48 117.44 116.10 1pqn n TRP 104 Ca -0.18 -3.76 -0.36 0.00 -1.02 0.00 0.00 57.50 52.18 1pqn n TRP 104 Cb 0.82 -0.70 0.05 0.00 -2.42 0.00 0.00 31.31 29.06 1pqn n TRP 104 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1pqn n ALA 105 N 0.64 -3.46 -3.60 6.99 0.00 -1.26 -4.71 120.51 115.11 1pqn n ALA 105 Ca 0.31 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1pqn n ALA 105 Cb 0.38 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 1pqn n ALA 105 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1pqn s MET 106 N -2.18 0.09 -0.56 0.00 -1.94 -1.26 -4.98 119.30 108.48 1pqn s MET 106 Ca 0.53 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 1pqn s MET 106 Cb -0.31 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.56 1pqn s MET 106 CO 0.70 -0.04 0.00 0.39 -0.01 0.00 0.00 175.02 176.06 1pqn n GLU 107 N -0.54 -1.40 -1.13 2.03 -0.58 -1.26 -4.51 120.64 113.25 1pqn n GLU 107 Ca -0.08 0.61 -0.37 0.00 -0.42 0.00 0.00 57.16 56.89 1pqn n GLU 107 Cb 0.63 -4.77 0.04 0.00 -0.57 0.00 0.00 31.44 26.78 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pqn n ASP 108 N -0.71 -3.87 0.00 1.62 5.68 -1.26 -2.34 116.55 115.67 1pqn n ASP 108 Ca -0.05 0.45 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1pqn n ASP 108 Cb 0.43 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1pqn n ASP 108 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pqn n LYS 109 N 1.14 0.00 0.00 0.11 5.02 -1.26 -4.66 118.16 118.51 1pqn n LYS 109 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1pqn n LYS 109 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 0.00 0.00 -0.32 1.97 1.13 -0.99 -3.80 117.38 115.37 1pqn n GLN 110 Ca 0.00 0.07 0.26 0.00 -1.94 0.00 0.00 57.00 55.38 1pqn n GLN 110 Cb 0.00 -0.38 0.56 0.00 0.11 0.00 0.00 30.24 30.53 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 0.00 0.29 0.93 -1.09 4.39 -1.77 -1.55 114.58 115.79 1pqn h GLU 111 Ca 0.00 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1pqn h GLU 111 Cb 0.00 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1pqn h GLU 111 CO 0.00 0.19 -0.45 0.52 -1.16 0.00 0.00 179.01 178.11 1pqn h MET 112 N 0.30 -1.21 -1.06 2.33 2.86 -1.78 -0.31 114.93 116.06 1pqn h MET 112 Ca 0.60 0.08 0.28 0.00 -2.06 0.00 0.00 59.70 58.60 1pqn h MET 112 Cb 1.69 0.27 -0.10 0.00 0.06 0.00 0.00 31.60 33.52 1pqn h MET 112 CO -0.24 -0.80 0.67 0.28 1.06 0.00 0.00 176.91 177.88 1pqn h VAL 113 N -1.29 0.47 -0.12 -2.22 2.07 -1.39 0.25 116.25 114.01 1pqn h VAL 113 Ca -0.13 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1pqn h VAL 113 Cb 0.96 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pqn h VAL 113 CO 0.21 0.07 -0.20 0.44 0.02 0.00 0.00 177.57 178.11 1pqn h ASP 114 N 0.38 0.39 -0.18 0.57 5.19 -1.16 -2.84 116.42 118.78 1pqn h ASP 114 Ca 0.63 -0.53 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1pqn h ASP 114 Cb 1.59 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 1pqn h ASP 114 CO -0.34 0.85 -0.05 -0.29 -3.12 0.00 0.00 179.24 176.28 1pqn h ILE 115 N -0.05 1.29 -0.46 0.35 2.10 0.82 -2.76 117.51 118.79 1pqn h ILE 115 Ca 0.01 -1.04 0.08 0.00 1.08 0.00 0.00 64.86 64.99 1pqn h ILE 115 Cb 0.77 1.62 -0.03 0.00 -1.09 0.00 0.00 36.82 38.09 1pqn h ILE 115 CO 0.05 0.31 0.31 0.40 -1.08 0.00 0.00 178.15 178.14 1pqn h ILE 116 N 0.05 0.92 -0.26 2.19 2.04 -0.71 -1.48 117.51 120.26 1pqn h ILE 116 Ca 0.04 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1pqn h ILE 116 Cb 0.50 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1pqn h ILE 116 CO 0.02 0.05 -0.20 -0.08 0.00 0.00 0.00 178.15 177.94 1pqn h GLU 117 N 0.29 0.59 0.51 2.37 4.81 -1.35 -0.55 114.58 121.24 1pqn h GLU 117 Ca 0.21 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1pqn h GLU 117 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1pqn h GLU 117 CO -0.04 0.88 -0.24 1.79 -0.73 0.00 0.00 179.01 180.66 1pqn h THR 118 N 0.31 0.48 -0.72 0.32 1.35 -1.02 -1.52 112.91 112.10 1pqn h THR 118 Ca 0.05 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 1pqn h THR 118 Cb 0.74 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 1pqn h THR 118 CO 0.05 0.03 0.48 0.58 -0.25 0.00 0.00 175.52 176.41 1pqn h VAL 119 N -0.79 1.18 -0.38 6.82 2.07 -1.38 0.86 116.25 124.64 1pqn h VAL 119 Ca -0.07 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1pqn h VAL 119 Cb 0.57 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1pqn h VAL 119 CO 0.11 0.18 0.08 0.22 0.02 0.00 0.00 177.57 178.18 1pqn h TYR 120 N 0.97 0.57 0.04 1.57 5.03 -0.91 0.79 116.97 125.03 1pqn h TYR 120 Ca 0.27 -0.04 -0.31 0.00 2.58 0.00 0.00 58.73 61.22 1pqn h TYR 120 Cb -0.10 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 37.97 1pqn h TYR 120 CO -0.00 0.50 -1.79 0.00 -1.32 0.00 0.00 178.16 175.56 1pqn h ARG 121 N 0.55 0.09 0.10 1.82 3.08 -0.31 -3.39 114.38 116.31 1pqn h ARG 121 Ca 0.13 -0.15 -0.26 0.00 0.07 0.00 0.00 59.98 59.77 1pqn h ARG 121 Cb 0.23 0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.36 1pqn h ARG 121 CO -0.00 0.74 -1.06 0.78 -1.07 0.00 0.00 179.97 179.36 1pqn h GLY 122 N 2.71 0.62 -4.97 0.04 0.00 0.90 -3.34 103.07 99.03 1pqn h GLY 122 Ca -0.32 -1.27 -0.59 0.00 0.00 0.00 0.00 47.33 45.15 1pqn h GLY 122 CO 0.09 1.12 2.19 0.00 0.00 0.00 0.00 176.54 179.93 1pqn n ALA 123 N -2.66 6.98 -0.12 3.60 0.00 0.27 -4.36 120.51 124.22 1pqn n ALA 123 Ca -0.13 -3.35 -0.22 0.00 0.00 0.00 0.00 53.44 49.74 1pqn n ALA 123 Cb 0.90 -2.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.45 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 2.42 0.57 0.06 0.00 1.74 -1.26 -4.59 116.66 115.60 1pqn n ARG 124 Ca 0.63 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 1pqn n ARG 124 Cb 0.40 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1pqn n ARG 124 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pqn n LYS 125 N -4.33 0.00 0.00 5.56 4.76 -1.26 -5.07 118.16 117.81 1pqn n LYS 125 Ca -0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1pqn n LYS 125 Cb 0.75 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.94 1pqn n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pqn n GLY 126 N 0.30 -1.53 3.15 0.72 0.00 -1.26 -4.92 105.19 101.66 1pqn n GLY 126 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1pqn n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pqn s ARG 127 N 0.00 0.55 0.00 1.61 1.70 -1.26 -5.22 118.95 116.33 1pqn s ARG 127 Ca 0.00 0.83 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 1pqn s ARG 127 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1pqn s ARG 127 CO 0.00 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 173.88