#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 -2.44 -2.54 1.43 4.02 -1.26 -5.05 117.16 111.32 1pqn n TYR 3 Ca 0.00 -2.30 -0.06 0.00 -0.01 0.00 0.00 57.90 55.53 1pqn n TYR 3 Cb 0.00 0.89 -0.05 0.00 -0.02 0.00 0.00 39.34 40.17 1pqn n TYR 3 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1pqn n MET 4 N 2.73 -4.46 -1.46 -0.72 1.56 -1.26 -4.71 117.12 108.80 1pqn n MET 4 Ca 0.22 3.37 -0.47 0.00 -0.27 0.00 0.00 57.70 60.56 1pqn n MET 4 Cb 0.53 -4.92 -0.08 0.00 2.15 0.00 0.00 33.22 30.90 1pqn n MET 4 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1pqn n LEU 5 N 1.65 1.72 0.00 -0.89 4.32 -1.26 -4.93 117.00 117.61 1pqn n LEU 5 Ca -0.41 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 1pqn n LEU 5 Cb 0.63 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.20 1pqn n LEU 5 CO 0.38 -0.89 0.00 -0.81 -1.22 0.00 0.00 177.39 174.85 1pqn n PRO 6 N 8.37 0.12 -2.44 3.23 -0.04 -1.26 -4.79 135.00 138.19 1pqn n PRO 6 Ca 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1pqn n PRO 6 Cb 0.23 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.69 1pqn n PRO 6 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1pqn n HIS 7 N -1.72 -1.12 -3.73 0.54 1.44 -1.26 -2.60 115.22 106.76 1pqn n HIS 7 Ca 0.00 -0.93 -0.21 0.00 -2.01 0.00 0.00 57.72 54.57 1pqn n HIS 7 Cb 0.00 -0.18 -0.18 0.00 0.12 0.00 0.00 29.99 29.75 1pqn n HIS 7 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1pqn s LEU 8 N 0.00 0.41 -0.33 2.39 1.02 0.14 -4.79 118.68 117.51 1pqn s LEU 8 Ca 0.12 0.00 0.07 0.00 0.02 0.00 0.00 54.13 54.34 1pqn s LEU 8 Cb -0.01 -0.28 0.46 0.00 0.02 0.00 0.00 46.19 46.38 1pqn s LEU 8 CO 0.08 -0.22 1.34 0.00 0.02 0.00 0.00 176.35 177.58 1pqn n HIS 9 N 5.15 2.21 -3.70 0.29 1.44 -1.26 -2.12 115.22 117.23 1pqn n HIS 9 Ca -0.06 -2.15 -0.12 0.00 -2.01 0.00 0.00 57.72 53.38 1pqn n HIS 9 Cb 0.50 -0.50 -0.10 0.00 0.12 0.00 0.00 29.99 30.02 1pqn n HIS 9 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1pqn s ASN 10 N -3.17 -0.53 0.40 4.39 3.04 -1.26 -4.68 114.94 113.12 1pqn s ASN 10 Ca 0.50 0.97 0.16 0.00 0.04 0.00 0.00 52.86 54.53 1pqn s ASN 10 Cb 0.42 0.93 0.84 0.00 -1.54 0.00 0.00 41.25 41.90 1pqn s ASN 10 CO 0.01 -0.18 1.86 1.23 -3.04 0.00 0.00 177.10 176.98 1pqn h GLY 11 N 6.06 0.00 1.80 1.21 0.00 -1.94 -2.33 103.07 107.87 1pqn h GLY 11 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1pqn h GLY 11 CO 0.23 0.00 -0.29 1.49 0.00 0.00 0.00 176.54 177.97 1pqn h TRP 12 N 0.00 0.25 0.15 5.60 4.06 -1.98 -1.73 115.95 122.30 1pqn h TRP 12 Ca -0.00 -0.05 -0.29 0.00 2.06 0.00 0.00 58.89 60.60 1pqn h TRP 12 Cb 0.63 -0.06 0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1pqn h TRP 12 CO 0.00 0.50 -1.36 1.96 -3.56 0.00 0.00 178.44 175.99 1pqn h GLN 13 N 0.20 0.31 0.54 0.49 1.08 -1.89 -2.81 115.11 113.02 1pqn h GLN 13 Ca 0.03 -0.53 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 1pqn h GLN 13 Cb 0.62 0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1pqn h GLN 13 CO 0.05 1.23 -0.26 0.28 -0.95 0.00 0.00 178.83 179.18 1pqn h VAL 14 N 0.08 0.33 -0.49 -0.54 2.07 -1.26 0.38 116.25 116.82 1pqn h VAL 14 Ca -0.18 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pqn h VAL 14 Cb 2.02 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1pqn h VAL 14 CO 0.20 0.05 0.30 0.44 0.02 0.00 0.00 177.57 178.58 1pqn h ASP 15 N -1.00 0.58 0.74 0.57 5.19 -1.48 -1.40 116.42 119.62 1pqn h ASP 15 Ca -0.07 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.14 1pqn h ASP 15 Cb 0.63 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1pqn h ASP 15 CO 0.12 0.44 -0.80 1.56 -3.12 0.00 0.00 179.24 177.44 1pqn h GLN 16 N 0.67 0.04 0.17 3.56 4.20 -1.44 -2.78 115.11 119.53 1pqn h GLN 16 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1pqn h GLN 16 Cb -0.03 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1pqn h GLN 16 CO -0.03 0.82 -0.08 0.00 -0.67 0.00 0.00 178.83 178.87 1pqn h ALA 17 N 1.16 -0.23 -0.62 3.87 0.00 0.67 0.69 119.26 124.81 1pqn h ALA 17 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1pqn h ALA 17 Cb 1.41 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1pqn h ALA 17 CO 0.11 -0.39 0.41 0.97 0.00 0.00 0.00 179.25 180.35 1pqn h ILE 18 N -0.69 1.15 0.00 0.00 2.10 -1.38 -1.90 117.51 116.78 1pqn h ILE 18 Ca -0.02 -0.28 -0.14 0.00 1.08 0.00 0.00 64.86 65.49 1pqn h ILE 18 Cb 0.50 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 1pqn h ILE 18 CO 0.04 0.15 -0.89 -0.07 -1.08 0.00 0.00 178.15 176.30 1pqn h LEU 19 N 0.83 0.00 0.36 2.19 3.38 -1.48 -3.36 115.31 117.23 1pqn h LEU 19 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pqn h LEU 19 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1pqn h LEU 19 CO -0.05 0.61 -0.34 -1.28 0.09 0.00 0.00 178.44 177.47 1pqn h SER 20 N 0.00 -0.90 -2.91 -0.43 0.87 0.12 -3.24 113.55 107.06 1pqn h SER 20 Ca -0.06 0.08 -0.77 0.00 -1.23 0.00 0.00 61.79 59.80 1pqn h SER 20 Cb 1.52 0.30 -0.31 0.00 -0.44 0.00 0.00 62.40 63.47 1pqn h SER 20 CO 0.07 -0.48 0.49 -0.62 -0.53 0.00 0.00 176.83 175.76 1pqn n GLU 21 N -5.45 3.98 -1.14 2.24 4.71 -1.13 -4.80 120.64 119.06 1pqn n GLU 21 Ca -0.10 -4.56 -0.23 0.00 -0.01 0.00 0.00 57.16 52.26 1pqn n GLU 21 Cb 0.35 -2.47 0.15 0.00 -1.01 0.00 0.00 31.44 28.46 1pqn n GLU 21 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1pqn n GLU 22 N 1.46 2.19 -0.03 3.49 4.07 -1.23 -4.16 120.64 126.44 1pqn n GLU 22 Ca 0.26 -2.77 -0.04 0.00 -0.06 0.00 0.00 57.16 54.56 1pqn n GLU 22 Cb 0.35 -2.08 -0.04 0.00 -0.06 0.00 0.00 31.44 29.60 1pqn n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1pqn n ASP 23 N -0.96 3.47 0.00 4.31 -0.08 -1.26 -4.79 116.55 117.24 1pqn n ASP 23 Ca 0.55 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.82 1pqn n ASP 23 Cb 1.45 0.41 0.00 0.00 2.34 0.00 0.00 41.12 45.32 1pqn n ASP 23 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pqn n ARG 24 N -2.38 0.00 -3.96 -0.67 5.12 -1.26 -4.71 116.66 108.80 1pqn n ARG 24 Ca -0.11 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.72 1pqn n ARG 24 Cb 0.68 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.93 1pqn n ARG 24 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pqn s VAL 25 N 0.00 0.02 -0.26 1.55 1.01 -1.07 -4.56 120.40 117.08 1pqn s VAL 25 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.58 1pqn s VAL 25 Cb 0.00 -2.04 0.13 0.00 0.00 0.00 0.00 36.38 34.47 1pqn s VAL 25 CO 0.00 -0.08 0.54 -0.69 0.00 0.00 0.00 175.10 174.87 1pqn s VAL 26 N -3.99 -0.85 0.06 2.92 1.01 -0.73 -2.53 120.40 116.29 1pqn s VAL 26 Ca 0.20 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1pqn s VAL 26 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1pqn s VAL 26 CO 0.05 0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.46 1pqn s VAL 27 N 2.77 3.96 0.17 2.92 1.01 -0.05 0.27 120.40 131.45 1pqn s VAL 27 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1pqn s VAL 27 Cb -0.13 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1pqn s VAL 27 CO -0.17 0.20 0.02 0.27 0.00 0.00 0.00 175.10 175.42 1pqn s ILE 28 N -1.23 0.55 -0.31 2.22 -0.00 -0.39 -2.15 121.20 119.90 1pqn s ILE 28 Ca 0.23 -1.97 -0.02 0.00 -0.00 0.00 0.00 60.65 58.90 1pqn s ILE 28 Cb -0.12 -2.15 0.12 0.00 -0.00 0.00 0.00 42.46 40.31 1pqn s ILE 28 CO 0.15 -0.43 0.20 -0.60 -0.00 0.00 0.00 174.94 174.26 1pqn s ARG 29 N -3.95 0.33 -0.04 0.37 3.00 -0.12 -1.37 118.95 117.16 1pqn s ARG 29 Ca 0.25 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.73 54.00 1pqn s ARG 29 Cb 0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 34.95 33.90 1pqn s ARG 29 CO 0.04 -1.08 1.36 -0.06 0.00 0.00 0.00 175.30 175.56 1pqn s PHE 30 N 1.85 2.84 0.00 5.12 0.08 0.13 0.23 117.98 128.23 1pqn s PHE 30 Ca 0.12 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1pqn s PHE 30 Cb -0.17 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1pqn s PHE 30 CO -0.25 -2.21 0.00 0.41 -0.10 0.00 0.00 175.22 173.08 1pqn n GLY 31 N 3.62 -1.11 3.65 4.36 0.00 0.13 -0.03 105.19 115.82 1pqn n GLY 31 Ca 0.13 0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -0.15 0.40 1.61 2.46 -1.25 -3.52 115.29 114.84 1pqn s HIS 32 Ca 0.00 0.31 0.07 0.00 0.47 0.00 0.00 55.06 55.91 1pqn s HIS 32 Cb 0.00 0.20 0.81 0.00 -0.13 0.00 0.00 32.58 33.47 1pqn s HIS 32 CO 0.00 -0.07 2.02 0.38 -2.47 0.00 0.00 174.74 174.59 1pqn h ASP 33 N 4.72 0.44 0.01 9.88 2.03 -1.93 -1.56 116.42 130.02 1pqn h ASP 33 Ca -0.27 -0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 55.99 1pqn h ASP 33 Cb 1.17 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1pqn h ASP 33 CO 0.21 0.38 -0.02 -0.25 -1.03 0.00 0.00 179.24 178.53 1pqn h TRP 34 N 0.51 0.03 -4.02 4.15 2.91 -1.97 -3.38 115.95 114.17 1pqn h TRP 34 Ca 0.13 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 59.59 1pqn h TRP 34 Cb 0.05 -0.01 0.16 0.00 -0.51 0.00 0.00 29.16 28.85 1pqn h TRP 34 CO 0.00 0.05 0.44 -3.47 -1.03 0.00 0.00 178.44 174.44 1pqn n ASP 35 N -4.49 1.81 -0.19 2.65 2.03 -0.59 -4.91 116.55 112.87 1pqn n ASP 35 Ca -0.03 0.82 -0.10 0.00 0.52 0.00 0.00 54.79 56.00 1pqn n ASP 35 Cb 0.12 -1.53 0.01 0.00 -0.72 0.00 0.00 41.12 39.00 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 0.47 0.98 -0.93 -0.67 0.13 -1.87 -2.79 132.00 127.32 1pqn h PRO 36 Ca -0.50 -0.34 0.08 0.00 -0.87 0.00 0.00 66.00 64.37 1pqn h PRO 36 Cb 1.34 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1pqn h PRO 36 CO 0.52 1.01 0.60 1.15 -0.23 0.00 0.00 178.00 181.06 1pqn h THR 37 N 0.86 1.02 -0.03 1.56 2.02 -1.84 -0.04 112.91 116.45 1pqn h THR 37 Ca 0.15 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1pqn h THR 37 Cb 0.60 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1pqn h THR 37 CO 0.04 0.18 -0.51 0.00 0.37 0.00 0.00 175.52 175.60 1pqn h MET 39 N 0.07 0.90 -0.09 0.00 2.86 -0.78 0.12 114.93 118.01 1pqn h MET 39 Ca -0.00 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1pqn h MET 39 Cb 0.93 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1pqn h MET 39 CO 0.07 1.06 0.01 -0.22 1.06 0.00 0.00 176.91 178.90 1pqn h LYS 40 N 0.76 0.15 -0.19 1.72 3.64 -1.19 0.83 116.57 122.29 1pqn h LYS 40 Ca 0.09 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1pqn h LYS 40 Cb 0.85 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1pqn h LYS 40 CO 0.07 0.37 -0.40 1.98 -2.27 0.00 0.00 179.45 179.20 1pqn h MET 41 N -0.10 0.42 -0.01 1.90 4.05 -1.50 -2.84 114.93 116.86 1pqn h MET 41 Ca 0.03 -0.20 -0.09 0.00 -0.28 0.00 0.00 59.70 59.15 1pqn h MET 41 Cb 0.29 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1pqn h MET 41 CO 0.00 0.75 -0.35 0.22 0.23 0.00 0.00 176.91 177.76 1pqn h ASP 42 N 0.35 0.32 -0.58 1.39 1.82 -0.64 0.91 116.42 119.99 1pqn h ASP 42 Ca 0.03 -0.76 0.13 0.00 -0.39 0.00 0.00 57.03 56.04 1pqn h ASP 42 Cb 0.85 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 1pqn h ASP 42 CO 0.07 1.04 0.40 1.05 -1.61 0.00 0.00 179.24 180.18 1pqn h GLU 43 N -0.37 0.21 0.15 0.28 -0.00 0.68 -1.81 114.58 113.73 1pqn h GLU 43 Ca -0.04 -0.01 -0.35 0.00 -0.00 0.00 0.00 59.36 58.96 1pqn h GLU 43 Cb 1.08 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1pqn h GLU 43 CO 0.07 0.14 -1.83 -0.24 -0.00 0.00 0.00 179.01 177.15 1pqn h VAL 44 N 0.22 0.80 -1.45 -1.06 3.04 -1.52 -3.35 116.25 112.93 1pqn h VAL 44 Ca 0.28 -2.42 0.42 0.00 -1.01 0.00 0.00 66.70 63.97 1pqn h VAL 44 Cb 0.79 2.63 -0.06 0.00 -2.01 0.00 0.00 31.29 32.64 1pqn h VAL 44 CO -0.05 0.86 1.06 -0.07 -1.01 0.00 0.00 177.57 178.36 1pqn h LEU 45 N 0.03 0.00 0.48 3.16 3.38 0.07 0.12 115.31 122.55 1pqn h LEU 45 Ca -0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1pqn h LEU 45 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1pqn h LEU 45 CO 0.12 0.00 -0.23 0.22 0.09 0.00 0.00 178.44 178.64 1pqn h TYR 46 N 0.00 -0.60 -0.40 1.13 5.03 -1.63 0.27 116.97 120.77 1pqn h TYR 46 Ca 0.69 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.86 1pqn h TYR 46 Cb 2.80 0.20 -0.07 0.00 1.55 0.00 0.00 36.73 41.21 1pqn h TYR 46 CO 0.00 -0.37 0.16 0.45 -1.32 0.00 0.00 178.16 177.07 1pqn n SER 47 N -4.42 3.42 0.00 -2.11 2.88 -0.48 -3.25 113.62 109.67 1pqn n SER 47 Ca -0.08 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 1pqn n SER 47 Cb 0.25 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 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 0.01 0.00 0.01 2.46 0.00 0.30 -4.91 119.36 117.24 1pqn n ILE 48 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 62.75 62.80 1pqn n ILE 48 Cb 0.91 0.00 -0.14 0.00 0.00 0.00 0.00 39.64 40.41 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 0.48 -0.82 1.51 0.00 -0.59 -3.35 119.26 116.49 1pqn h ALA 49 Ca 0.00 -1.34 0.24 0.00 0.00 0.00 0.00 54.91 53.80 1pqn h ALA 49 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1pqn h ALA 49 CO 0.00 1.34 0.75 1.49 0.00 0.00 0.00 179.25 182.83 1pqn h GLU 50 N 0.05 0.00 -0.97 0.00 4.81 -1.49 0.24 114.58 117.23 1pqn h GLU 50 Ca -0.35 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1pqn h GLU 50 Cb 2.03 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.32 1pqn h GLU 50 CO 0.11 0.00 0.61 0.87 -0.73 0.00 0.00 179.01 179.87 1pqn h LYS 51 N 0.00 0.79 0.00 1.92 1.57 -1.84 -3.06 116.57 115.95 1pqn h LYS 51 Ca 0.39 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1pqn h LYS 51 Cb 1.88 -0.18 -0.14 0.00 0.08 0.00 0.00 32.23 33.87 1pqn h LYS 51 CO -0.00 0.52 -0.63 1.33 -0.57 0.00 0.00 179.45 180.10 1pqn n VAL 52 N -4.64 0.46 -0.09 0.50 0.24 0.23 -4.85 118.33 110.19 1pqn n VAL 52 Ca 0.20 -0.98 0.25 0.00 -2.04 0.00 0.00 64.34 61.78 1pqn n VAL 52 Cb 0.47 0.51 0.72 0.00 -1.47 0.00 0.00 33.84 34.07 1pqn n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1pqn h LYS 53 N 0.46 0.00 -0.31 7.34 1.79 -0.54 0.29 116.57 125.60 1pqn h LYS 53 Ca -0.08 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.27 1pqn h LYS 53 Cb 1.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 1pqn h LYS 53 CO 0.04 0.00 -0.28 -0.91 -1.08 0.00 0.00 179.45 177.21 1pqn h ASN 54 N 0.00 0.65 0.20 0.86 4.21 -1.86 -3.24 115.58 116.40 1pqn h ASN 54 Ca 0.35 -0.24 -0.35 0.00 1.21 0.00 0.00 56.30 57.26 1pqn h ASN 54 Cb 1.50 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1pqn h ASN 54 CO -0.00 0.90 -1.80 -0.26 -1.29 0.00 0.00 177.43 174.97 1pqn h PHE 55 N 0.55 0.63 -4.19 1.19 0.04 -0.97 -3.46 116.94 110.71 1pqn h PHE 55 Ca 0.07 -0.46 -0.69 0.00 2.80 0.00 0.00 57.97 59.69 1pqn h PHE 55 Cb 0.76 -0.03 -0.28 0.00 2.20 0.00 0.00 35.95 38.61 1pqn h PHE 55 CO 0.03 1.68 -0.85 0.00 -0.60 0.00 0.00 178.31 178.57 1pqn s ALA 56 N -2.58 2.34 -0.31 2.45 0.00 0.55 -2.61 121.76 121.60 1pqn s ALA 56 Ca -0.17 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1pqn s ALA 56 Cb 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.50 1pqn s ALA 56 CO 0.83 0.49 -0.00 0.14 0.00 0.00 0.00 175.76 177.22 1pqn s VAL 57 N -0.46 2.65 0.16 0.00 -7.23 -1.05 -4.00 120.40 110.47 1pqn s VAL 57 Ca 0.05 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1pqn s VAL 57 Cb -0.12 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1pqn s VAL 57 CO 0.01 -0.23 0.16 -0.63 -0.31 0.00 0.00 175.10 174.10 1pqn s ILE 58 N 1.13 4.62 0.00 -0.62 1.01 -1.26 -0.87 121.20 125.22 1pqn s ILE 58 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1pqn s ILE 58 Cb -0.20 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1pqn s ILE 58 CO -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 174.94 174.80 1pqn n TYR 59 N -0.36 0.00 -3.06 3.97 4.11 -0.91 -4.82 117.16 116.09 1pqn n TYR 59 Ca -0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.65 1pqn n TYR 59 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.89 1pqn n TYR 59 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1pqn s LEU 60 N 0.00 3.68 -0.05 -3.48 2.01 -1.07 -0.94 118.68 118.83 1pqn s LEU 60 Ca 0.00 -0.41 -0.18 0.00 0.01 0.00 0.00 54.13 53.55 1pqn s LEU 60 Cb 0.00 -2.65 0.04 0.00 0.01 0.00 0.00 46.19 43.58 1pqn s LEU 60 CO 0.00 -0.73 0.41 -0.69 1.01 0.00 0.00 176.35 176.35 1pqn s VAL 61 N -2.34 0.03 -0.55 -1.59 1.01 0.14 0.23 120.40 117.33 1pqn s VAL 61 Ca 0.54 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1pqn s VAL 61 Cb -0.10 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.64 1pqn s VAL 61 CO 0.33 -0.16 0.85 -0.62 0.00 0.00 0.00 175.10 175.50 1pqn s ASP 62 N -1.00 6.29 -1.04 3.32 -1.08 -0.90 0.22 116.67 122.48 1pqn s ASP 62 Ca -0.10 -0.59 -0.08 0.00 -0.52 0.00 0.00 52.55 51.25 1pqn s ASP 62 Cb -0.04 -2.39 -0.11 0.00 -1.46 0.00 0.00 42.92 38.92 1pqn s ASP 62 CO 0.05 -1.16 3.09 0.00 0.52 0.00 0.00 175.17 177.67 1pqn n ILE 63 N 5.99 3.97 0.00 4.11 3.06 -1.23 -2.61 119.36 132.66 1pqn n ILE 63 Ca -0.01 -2.47 0.00 0.00 -2.50 0.00 0.00 62.75 57.76 1pqn n ILE 63 Cb 0.47 -2.31 0.00 0.00 0.54 0.00 0.00 39.64 38.33 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 2.89 0.00 0.01 9.51 -1.04 -1.26 -4.72 114.28 119.67 1pqn n THR 64 Ca 0.65 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.48 1pqn n THR 64 Cb 0.46 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.83 1pqn n THR 64 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1pqn h GLU 65 N 0.00 0.20 0.03 -2.82 4.57 -1.96 -3.40 114.58 111.20 1pqn h GLU 65 Ca 0.00 -0.34 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 1pqn h GLU 65 Cb 0.00 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1pqn h GLU 65 CO 0.00 1.01 -0.25 0.28 -1.18 0.00 0.00 179.01 178.88 1pqn h VAL 66 N 0.05 1.64 -3.38 0.32 2.07 -1.77 -3.45 116.25 111.73 1pqn h VAL 66 Ca -0.37 -2.21 -0.54 0.00 0.82 0.00 0.00 66.70 64.41 1pqn h VAL 66 Cb 2.03 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 34.89 1pqn h VAL 66 CO 0.10 0.59 0.42 -2.16 0.02 0.00 0.00 177.57 176.54 1pqn s PRO 67 N -2.64 4.55 -0.16 1.57 0.04 -1.26 -4.65 135.00 132.45 1pqn s PRO 67 Ca -0.17 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 1pqn s PRO 67 Cb -0.01 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 1pqn s PRO 67 CO 0.74 -0.06 0.08 -0.44 0.04 0.00 0.00 177.00 177.35 1pqn h ASP 68 N 6.60 0.00 -0.60 6.66 5.19 -1.87 -3.33 116.42 129.07 1pqn h ASP 68 Ca -0.41 -0.27 -0.62 0.00 -0.62 0.00 0.00 57.03 55.11 1pqn h ASP 68 Cb 1.22 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.66 1pqn h ASP 68 CO 0.76 0.98 2.35 0.49 -3.12 0.00 0.00 179.24 180.69 1pqn n PHE 69 N -4.58 2.10 0.00 4.55 3.01 -1.26 -3.75 117.46 117.53 1pqn n PHE 69 Ca -0.14 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.66 1pqn n PHE 69 Cb 0.38 -1.99 0.00 0.00 -0.01 0.00 0.00 39.48 37.86 1pqn n PHE 69 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1pqn n ASN 70 N 2.36 0.00 -4.57 4.37 2.85 -1.26 -5.00 115.26 114.01 1pqn n ASN 70 Ca 0.64 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.98 1pqn n ASN 70 Cb 0.36 0.34 -0.09 0.00 1.24 0.00 0.00 39.78 41.62 1pqn n ASN 70 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1pqn n LYS 71 N -2.19 0.32 0.00 1.20 0.00 -1.25 -2.48 118.16 113.77 1pqn n LYS 71 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 58.31 57.05 1pqn n LYS 71 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 35.03 31.23 1pqn n LYS 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1pqn n MET 72 N 8.44 0.00 -0.02 1.64 1.56 -1.26 -4.97 117.12 122.51 1pqn n MET 72 Ca 0.44 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.86 1pqn n MET 72 Cb 0.45 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.77 1pqn n MET 72 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 1pqn n TYR 73 N 0.00 0.00 -0.34 1.12 4.19 -1.21 -4.63 117.16 116.29 1pqn n TYR 73 Ca 0.00 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.18 1pqn n TYR 73 Cb 0.00 -0.25 0.10 0.00 0.49 0.00 0.00 39.34 39.68 1pqn n TYR 73 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1pqn h GLU 74 N 0.00 1.27 -6.81 2.98 3.07 -1.86 -3.42 114.58 109.80 1pqn h GLU 74 Ca -0.11 -0.13 -0.53 0.00 -0.50 0.00 0.00 59.36 58.10 1pqn h GLU 74 Cb 1.00 -0.26 0.07 0.00 -0.84 0.00 0.00 28.75 28.72 1pqn h GLU 74 CO 0.01 0.90 0.72 -0.48 -1.40 0.00 0.00 179.01 178.76 1pqn s LEU 75 N -9.97 4.39 0.00 1.33 0.05 -1.25 -4.68 118.68 108.55 1pqn s LEU 75 Ca -0.13 2.72 0.00 0.00 0.05 0.00 0.00 54.13 56.77 1pqn s LEU 75 Cb 0.17 -3.64 0.00 0.00 -2.05 0.00 0.00 46.19 40.68 1pqn s LEU 75 CO 0.83 -0.66 0.00 -1.22 -0.55 0.00 0.00 176.35 174.74 1pqn n TYR 76 N 1.59 -0.05 -3.26 3.48 4.01 -1.26 -4.94 117.16 116.73 1pqn n TYR 76 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.44 1pqn n TYR 76 Cb 0.41 0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 1pqn n TYR 76 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pqn s ASP 77 N -1.13 6.78 0.07 7.72 1.11 -1.26 -5.02 116.67 124.93 1pqn s ASP 77 Ca 0.00 1.15 -0.26 0.00 0.18 0.00 0.00 52.55 53.62 1pqn s ASP 77 Cb 0.00 -2.32 -0.12 0.00 1.07 0.00 0.00 42.92 41.55 1pqn s ASP 77 CO 0.00 -0.08 1.41 -0.65 1.18 0.00 0.00 175.17 177.03 1pqn h PRO 78 N 2.74 -0.64 -3.70 8.23 0.11 -1.96 -3.47 132.00 133.31 1pqn h PRO 78 Ca -0.48 0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 1pqn h PRO 78 Cb 1.18 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 1pqn h PRO 78 CO 0.67 -0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.03 1pqn s THR 80 N -2.69 0.00 0.32 0.00 -1.32 0.95 -4.03 115.64 108.87 1pqn s THR 80 Ca 0.25 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.80 1pqn s THR 80 Cb -0.02 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1pqn s THR 80 CO 0.17 0.00 0.30 0.54 -2.21 0.00 0.00 174.62 173.42 1pqn s VAL 81 N -0.38 3.83 -0.29 5.08 0.11 -1.17 0.20 120.40 127.78 1pqn s VAL 81 Ca 0.03 -1.32 -0.18 0.00 -2.93 0.00 0.00 61.98 57.59 1pqn s VAL 81 Cb -0.03 -3.28 0.15 0.00 -1.53 0.00 0.00 36.38 31.69 1pqn s VAL 81 CO -0.06 -0.21 1.02 0.00 -3.33 0.00 0.00 175.10 172.52 1pqn s MET 82 N -3.99 0.36 0.54 1.54 0.23 -0.47 -4.87 119.30 112.64 1pqn s MET 82 Ca 0.40 0.59 -0.06 0.00 -1.03 0.00 0.00 55.69 55.58 1pqn s MET 82 Cb -0.07 0.09 -0.02 0.00 -1.53 0.00 0.00 34.83 33.31 1pqn s MET 82 CO 0.27 -0.07 0.86 -0.06 -2.03 0.00 0.00 175.02 173.99 1pqn s PHE 83 N 1.10 3.47 -0.18 3.16 0.40 -0.91 -1.26 117.98 123.76 1pqn s PHE 83 Ca -0.07 0.84 -0.05 0.00 -0.60 0.00 0.00 56.93 57.05 1pqn s PHE 83 Cb -0.04 -2.52 0.09 0.00 0.51 0.00 0.00 43.02 41.07 1pqn s PHE 83 CO -0.13 -0.53 0.34 -0.06 0.70 0.00 0.00 175.22 175.53 1pqn s PHE 84 N -2.90 -0.63 0.05 0.36 0.08 0.14 -3.28 117.98 111.81 1pqn s PHE 84 Ca 0.51 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.66 1pqn s PHE 84 Cb -0.10 0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.39 1pqn s PHE 84 CO 0.46 -0.50 -0.11 0.12 -0.10 0.00 0.00 175.22 175.10 1pqn s PHE 85 N 2.51 0.94 -1.14 0.36 5.36 -1.25 -1.77 117.98 122.98 1pqn s PHE 85 Ca 0.03 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1pqn s PHE 85 Cb -0.13 -0.55 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 1pqn s PHE 85 CO -0.12 -0.01 0.00 -2.13 -1.46 0.00 0.00 175.22 171.50 1pqn n ARG 86 N 1.66 -1.86 -3.14 10.12 0.63 -1.26 -0.40 116.66 122.41 1pqn n ARG 86 Ca -0.20 0.64 -0.22 0.00 -0.92 0.00 0.00 57.85 57.15 1pqn n ARG 86 Cb 0.55 -5.10 0.05 0.00 0.45 0.00 0.00 32.46 28.41 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 -1.26 -6.10 -2.34 6.15 2.85 -1.26 -4.99 115.26 108.32 1pqn n ASN 87 Ca -0.14 -0.34 -0.09 0.00 -0.11 0.00 0.00 54.58 53.90 1pqn n ASN 87 Cb 0.53 -4.86 -0.02 0.00 1.24 0.00 0.00 39.78 36.66 1pqn n ASN 87 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1pqn n LYS 88 N -4.18 0.87 -2.93 1.20 2.85 0.47 -5.13 118.16 111.30 1pqn n LYS 88 Ca -0.08 -1.19 -0.40 0.00 -1.05 0.00 0.00 58.31 55.59 1pqn n LYS 88 Cb 0.60 0.62 -0.05 0.00 -0.65 0.00 0.00 35.03 35.56 1pqn n LYS 88 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1pqn s HIS 89 N -2.03 3.77 -0.16 5.58 5.65 -1.26 -3.85 115.29 122.98 1pqn s HIS 89 Ca 0.07 1.56 -0.04 0.00 0.25 0.00 0.00 55.06 56.90 1pqn s HIS 89 Cb 0.00 -2.87 0.07 0.00 -1.18 0.00 0.00 32.58 28.61 1pqn s HIS 89 CO 0.05 0.28 0.16 0.42 -0.65 0.00 0.00 174.74 175.00 1pqn s ILE 90 N -0.16 -0.22 -0.37 0.89 -1.09 -1.20 -4.85 121.20 114.20 1pqn s ILE 90 Ca 0.40 -0.01 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 1pqn s ILE 90 Cb -0.21 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.13 1pqn s ILE 90 CO 0.25 -0.14 0.54 -0.04 -1.23 0.00 0.00 174.94 174.32 1pqn s MET 91 N 2.25 3.55 -0.19 2.79 -1.94 -1.26 -2.14 119.30 122.35 1pqn s MET 91 Ca 0.04 -0.20 -0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1pqn s MET 91 Cb -0.15 -3.84 0.09 0.00 2.01 0.00 0.00 34.83 32.94 1pqn s MET 91 CO -0.09 -0.72 0.39 0.42 -0.01 0.00 0.00 175.02 175.00 1pqn s ILE 92 N 2.48 -0.60 0.44 2.53 1.01 -1.26 -4.97 121.20 120.83 1pqn s ILE 92 Ca 0.20 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 1pqn s ILE 92 Cb -0.15 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 1pqn s ILE 92 CO 0.14 0.06 0.86 1.51 0.00 0.00 0.00 174.94 177.51 1pqn s ASP 93 N 2.57 6.60 0.53 3.58 -4.77 -1.26 -4.48 116.67 119.44 1pqn s ASP 93 Ca 0.01 1.34 0.18 0.00 -3.30 0.00 0.00 52.55 50.78 1pqn s ASP 93 Cb -0.12 -2.41 1.33 0.00 -1.09 0.00 0.00 42.92 40.62 1pqn s ASP 93 CO -0.12 -0.46 2.16 -0.07 0.70 0.00 0.00 175.17 177.38 1pqn h LEU 94 N 1.23 0.00 0.00 2.11 3.38 -1.95 -3.38 115.31 116.71 1pqn h LEU 94 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1pqn h LEU 94 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pqn h LEU 94 CO 0.63 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.77 1pqn n GLY 95 N -1.52 -0.73 0.73 0.83 0.00 -1.26 -3.44 105.19 99.79 1pqn n GLY 95 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.35 114.28 110.24 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 -1.34 -1.82 2.04 3.41 0.00 -1.26 -4.96 105.19 101.27 1pqn n GLY 97 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 0.00 -0.73 -1.88 1.61 4.05 -1.26 -5.16 115.26 111.89 1pqn n ASN 98 Ca 0.00 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1pqn n ASN 98 Cb 0.00 1.02 0.00 0.00 1.23 0.00 0.00 39.78 42.03 1pqn n ASN 98 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1pqn n ASN 99 N -2.69 0.57 0.00 1.20 2.85 -1.26 -5.12 115.26 110.81 1pqn n ASN 99 Ca 0.00 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.53 1pqn n ASN 99 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 -2.28 0.00 -4.52 1.20 5.03 -1.26 -4.95 115.26 108.47 1pqn n ASN 100 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 1pqn n ASN 100 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1pqn n ASN 100 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pqn n LYS 101 N -1.46 0.56 -2.50 3.52 5.02 -1.26 -4.83 118.16 117.22 1pqn n LYS 101 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1pqn n LYS 101 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1pqn n ILE 102 N 7.75 4.39 -0.04 -0.18 -0.00 -1.26 -4.50 119.36 125.52 1pqn n ILE 102 Ca 0.50 -4.56 -0.03 0.00 -0.00 0.00 0.00 62.75 58.67 1pqn n ILE 102 Cb 0.30 -2.37 -0.08 0.00 -0.00 0.00 0.00 39.64 37.50 1pqn n ILE 102 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1pqn n ASN 103 N 4.06 2.52 0.11 4.38 0.23 -1.26 -3.03 115.26 122.28 1pqn n ASN 103 Ca 0.38 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 54.20 1pqn n ASN 103 Cb 0.37 0.89 -0.15 0.00 -2.08 0.00 0.00 39.78 38.81 1pqn n ASN 103 CO 0.00 0.00 0.00 4.11 -0.93 0.00 0.00 177.26 180.44 1pqn h TRP 104 N 0.00 0.82 -3.55 -2.53 0.09 -1.86 -3.40 115.95 105.52 1pqn h TRP 104 Ca -0.22 -0.60 0.00 0.00 0.09 0.00 0.00 58.89 58.16 1pqn h TRP 104 Cb 1.40 -0.03 0.00 0.00 0.08 0.00 0.00 29.16 30.61 1pqn h TRP 104 CO 0.00 1.49 -0.84 0.00 0.09 0.00 0.00 178.44 179.18 1pqn n ALA 105 N -2.72 -2.08 -3.61 0.11 0.00 -1.26 -4.58 120.51 106.37 1pqn n ALA 105 Ca -0.17 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1pqn n ALA 105 Cb 1.01 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.86 0.17 0.00 0.00 0.00 -1.26 -4.97 119.30 110.38 1pqn s MET 106 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.61 1pqn s MET 106 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.90 1pqn s MET 106 CO 0.00 -0.08 0.00 -1.91 0.00 0.00 0.00 175.02 173.03 1pqn n GLU 107 N -0.24 -0.87 -1.06 4.11 2.13 -1.26 -4.74 120.64 118.71 1pqn n GLU 107 Ca -0.02 0.22 -0.35 0.00 0.66 0.00 0.00 57.16 57.66 1pqn n GLU 107 Cb 0.60 -3.89 0.08 0.00 0.27 0.00 0.00 31.44 28.49 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pqn n ASP 108 N -0.43 -2.46 0.00 4.31 5.75 -1.26 -2.59 116.55 119.87 1pqn n ASP 108 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1pqn n ASP 108 Cb 0.22 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.19 1pqn n ASP 108 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1pqn n LYS 109 N -0.36 0.00 -0.04 0.11 3.00 -1.26 -4.64 118.16 114.97 1pqn n LYS 109 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.35 1pqn n LYS 109 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.54 1pqn n LYS 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1pqn n GLN 110 N 0.00 0.24 -0.33 1.64 6.02 -1.08 -3.71 117.38 120.17 1pqn n GLN 110 Ca 0.00 0.40 0.03 0.00 -0.01 0.00 0.00 57.00 57.42 1pqn n GLN 110 Cb 0.00 -1.26 0.21 0.00 1.02 0.00 0.00 30.24 30.21 1pqn n GLN 110 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pqn h GLU 111 N -0.54 1.07 0.58 -1.09 3.07 -1.76 -2.78 114.58 113.13 1pqn h GLU 111 Ca 0.00 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1pqn h GLU 111 Cb 0.27 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1pqn h GLU 111 CO 0.00 0.71 -0.49 0.52 -1.40 0.00 0.00 179.01 178.35 1pqn h MET 112 N 1.10 -1.01 -1.07 2.33 2.86 -1.75 0.40 114.93 117.79 1pqn h MET 112 Ca 0.40 0.07 0.29 0.00 -2.06 0.00 0.00 59.70 58.40 1pqn h MET 112 Cb 0.16 0.23 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 1pqn h MET 112 CO -0.15 -0.67 0.69 0.28 1.06 0.00 0.00 176.91 178.11 1pqn h VAL 113 N -1.05 0.47 0.01 -2.22 2.07 -1.58 0.44 116.25 114.40 1pqn h VAL 113 Ca -0.07 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1pqn h VAL 113 Cb 0.89 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1pqn h VAL 113 CO -0.01 0.07 -0.34 0.44 0.02 0.00 0.00 177.57 177.75 1pqn h ASP 114 N 0.36 0.28 -0.19 0.57 3.32 -1.12 -2.78 116.42 116.86 1pqn h ASP 114 Ca 0.62 -0.80 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1pqn h ASP 114 Cb 1.62 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1pqn h ASP 114 CO -0.32 1.05 0.01 -0.29 -1.72 0.00 0.00 179.24 177.97 1pqn h ILE 115 N -0.46 1.24 -0.26 0.35 6.09 0.13 -2.79 117.51 121.80 1pqn h ILE 115 Ca -0.04 -0.81 -0.02 0.00 -1.37 0.00 0.00 64.86 62.62 1pqn h ILE 115 Cb 1.11 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.78 1pqn h ILE 115 CO 0.07 0.25 0.06 0.40 -3.07 0.00 0.00 178.15 175.85 1pqn h ILE 116 N 0.10 1.13 -0.72 2.19 2.04 -0.32 -1.61 117.51 120.33 1pqn h ILE 116 Ca 0.06 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1pqn h ILE 116 Cb 0.35 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1pqn h ILE 116 CO 0.01 0.17 0.24 -0.08 0.00 0.00 0.00 178.15 178.49 1pqn h GLU 117 N 0.37 1.11 0.18 2.37 4.57 -1.31 0.39 114.58 122.26 1pqn h GLU 117 Ca 0.09 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1pqn h GLU 117 Cb 0.16 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1pqn h GLU 117 CO -0.00 0.94 -0.08 1.15 -1.18 0.00 0.00 179.01 179.83 1pqn h THR 118 N 1.06 0.90 -0.74 0.32 2.02 -1.16 -2.83 112.91 112.48 1pqn h THR 118 Ca 0.23 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1pqn h THR 118 Cb 0.28 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1pqn h THR 118 CO -0.01 0.21 0.39 0.58 0.37 0.00 0.00 175.52 177.05 1pqn h VAL 119 N -0.77 1.23 -0.44 3.16 2.07 -1.30 0.54 116.25 120.73 1pqn h VAL 119 Ca -0.02 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1pqn h VAL 119 Cb 0.52 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1pqn h VAL 119 CO 0.04 0.26 0.26 0.22 0.02 0.00 0.00 177.57 178.36 1pqn h TYR 120 N 1.04 0.57 0.08 1.57 5.03 -0.27 0.87 116.97 125.86 1pqn h TYR 120 Ca 0.26 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 61.24 1pqn h TYR 120 Cb 0.05 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 1pqn h TYR 120 CO 0.01 0.38 -1.87 -2.13 -1.32 0.00 0.00 178.16 173.23 1pqn n ARG 121 N -4.44 0.71 0.01 1.82 3.00 -0.83 -4.30 116.66 112.61 1pqn n ARG 121 Ca 0.03 0.28 -0.18 0.00 -0.00 0.00 0.00 57.85 57.98 1pqn n ARG 121 Cb 0.08 -1.75 -0.09 0.00 0.00 0.00 0.00 32.46 30.70 1pqn n ARG 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1pqn h GLY 122 N 2.09 0.72 -5.00 5.14 0.00 0.30 -3.32 103.07 103.00 1pqn h GLY 122 Ca -0.36 -1.15 -0.59 0.00 0.00 0.00 0.00 47.33 45.22 1pqn h GLY 122 CO 0.09 1.02 2.19 0.00 0.00 0.00 0.00 176.54 179.84 1pqn n ALA 123 N -2.61 6.97 -0.50 3.60 0.00 0.30 -4.54 120.51 123.73 1pqn n ALA 123 Ca -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1pqn n ALA 123 Cb 0.77 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 2.37 0.00 -1.94 0.00 1.74 -1.25 -4.36 116.66 113.22 1pqn n ARG 124 Ca 0.63 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1pqn n ARG 124 Cb 0.39 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 1pqn n ARG 124 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pqn n LYS 125 N -1.82 0.83 -3.29 5.56 3.00 -1.26 -4.59 118.16 116.59 1pqn n LYS 125 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1pqn n LYS 125 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 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 -0.97 -0.63 0.62 3.14 0.00 -1.26 -5.12 107.32 103.10 1pqn s GLY 126 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1pqn s GLY 126 CO 0.00 2.99 0.00 0.54 0.00 0.00 0.00 173.10 176.63 1pqn n ARG 127 N 5.37 -3.54 0.00 2.90 5.12 -1.26 -5.28 116.66 119.98 1pqn n ARG 127 Ca -0.01 2.86 0.00 0.00 -1.93 0.00 0.00 57.85 58.77 1pqn n ARG 127 Cb 0.50 -3.94 0.00 0.00 -1.16 0.00 0.00 32.46 27.87 1pqn n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11