#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 2.68 0.08 0.66 1.51 -1.26 -4.84 117.35 116.18 1pqn s TYR 3 Ca 0.00 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 1pqn s TYR 3 Cb 0.00 -4.16 0.00 0.00 -0.11 0.00 0.00 41.96 37.69 1pqn s TYR 3 CO 0.00 -4.49 0.00 -0.12 -1.11 0.00 0.00 175.55 169.83 1pqn n MET 4 N 4.49 0.00 -1.46 -0.62 1.56 -1.26 -5.03 117.12 114.79 1pqn n MET 4 Ca 0.16 0.00 -0.47 0.00 -0.27 0.00 0.00 57.70 57.13 1pqn n MET 4 Cb 0.36 -0.17 -0.08 0.00 2.15 0.00 0.00 33.22 35.48 1pqn n MET 4 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1pqn n LEU 5 N -2.95 1.72 -4.70 -0.89 7.94 -1.26 -4.89 117.00 111.97 1pqn n LEU 5 Ca 0.00 0.21 -0.42 0.00 -1.11 0.00 0.00 56.01 54.69 1pqn n LEU 5 Cb 0.11 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 42.80 1pqn n LEU 5 CO 0.00 -0.89 0.84 -2.16 -1.11 0.00 0.00 177.39 174.07 1pqn s PRO 6 N 7.12 4.44 0.39 1.96 0.04 -1.26 -4.94 135.00 142.75 1pqn s PRO 6 Ca 1.13 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.88 1pqn s PRO 6 Cb -0.85 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1pqn s PRO 6 CO 0.46 -0.26 0.25 -3.38 0.04 0.00 0.00 177.00 174.11 1pqn s HIS 7 N 1.41 2.70 0.11 0.56 -3.43 -1.26 -2.59 115.29 112.78 1pqn s HIS 7 Ca 0.56 -0.48 0.01 0.00 -0.80 0.00 0.00 55.06 54.35 1pqn s HIS 7 Cb -0.25 -1.94 0.01 0.00 -1.43 0.00 0.00 32.58 28.96 1pqn s HIS 7 CO 0.26 0.11 0.06 1.28 -2.00 0.00 0.00 174.74 174.45 1pqn n LEU 8 N -1.34 0.00 0.00 5.38 7.99 0.11 -4.80 117.00 124.34 1pqn n LEU 8 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 56.01 55.38 1pqn n LEU 8 Cb 0.62 0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.95 1pqn n LEU 8 CO 0.44 -0.25 0.00 1.57 -1.51 0.00 0.00 177.39 177.64 1pqn n HIS 9 N -0.61 0.00 -3.65 -1.77 -0.00 -1.26 -4.60 115.22 103.33 1pqn n HIS 9 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.33 1pqn n HIS 9 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 1pqn n HIS 9 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1pqn s ASN 10 N -0.98 6.57 0.42 0.26 -0.87 -1.26 -4.70 114.94 114.39 1pqn s ASN 10 Ca 0.00 0.68 0.18 0.00 -1.57 0.00 0.00 52.86 52.15 1pqn s ASN 10 Cb 0.00 -2.17 0.95 0.00 -0.02 0.00 0.00 41.25 40.01 1pqn s ASN 10 CO 0.00 0.30 1.90 1.23 -2.57 0.00 0.00 177.10 177.97 1pqn h GLY 11 N 5.26 0.00 1.52 0.66 0.00 -1.99 -2.02 103.07 106.49 1pqn h GLY 11 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1pqn h GLY 11 CO 0.64 0.00 0.07 -0.25 0.00 0.00 0.00 176.54 177.00 1pqn h TRP 12 N 0.00 0.62 0.03 5.60 7.01 -1.98 0.39 115.95 127.63 1pqn h TRP 12 Ca -0.00 -0.05 -0.27 0.00 2.11 0.00 0.00 58.89 60.68 1pqn h TRP 12 Cb 0.56 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 1pqn h TRP 12 CO 0.00 0.55 -1.39 1.96 -2.79 0.00 0.00 178.44 176.77 1pqn h GLN 13 N 0.59 0.07 0.00 2.65 4.20 -1.90 -2.69 115.11 118.03 1pqn h GLN 13 Ca 0.13 -0.12 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 1pqn h GLN 13 Cb 0.27 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1pqn h GLN 13 CO 0.00 0.86 -0.91 0.28 -0.67 0.00 0.00 178.83 178.40 1pqn h VAL 14 N 0.02 1.44 0.00 -0.54 2.07 -1.07 -0.86 116.25 117.31 1pqn h VAL 14 Ca -0.17 -2.51 -0.16 0.00 0.82 0.00 0.00 66.70 64.68 1pqn h VAL 14 Cb 1.92 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1pqn h VAL 14 CO 0.12 0.74 -0.79 0.44 0.02 0.00 0.00 177.57 178.10 1pqn h ASP 15 N 0.18 0.00 0.65 0.57 3.32 -0.34 -2.83 116.42 117.96 1pqn h ASP 15 Ca -0.06 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.72 1pqn h ASP 15 Cb 1.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 1pqn h ASP 15 CO 0.15 0.74 -1.39 1.56 -1.72 0.00 0.00 179.24 178.58 1pqn h GLN 16 N 0.00 0.11 -0.17 3.56 4.20 -1.49 -3.25 115.11 118.07 1pqn h GLN 16 Ca -0.02 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 1pqn h GLN 16 Cb 1.58 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.44 1pqn h GLN 16 CO 0.09 0.93 -0.54 0.00 -0.67 0.00 0.00 178.83 178.64 1pqn h ALA 17 N 0.78 0.29 -0.52 3.87 0.00 -1.23 0.64 119.26 123.10 1pqn h ALA 17 Ca -0.17 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1pqn h ALA 17 Cb 1.93 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1pqn h ALA 17 CO 0.13 0.50 0.32 0.97 0.00 0.00 0.00 179.25 181.17 1pqn h ILE 18 N 0.34 1.07 0.06 0.00 2.10 -1.63 -2.66 117.51 116.80 1pqn h ILE 18 Ca -0.02 -0.22 -0.17 0.00 1.08 0.00 0.00 64.86 65.53 1pqn h ILE 18 Cb 1.17 0.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1pqn h ILE 18 CO 0.12 0.12 -0.84 0.25 -1.08 0.00 0.00 178.15 176.71 1pqn h LEU 19 N 0.64 0.21 -5.50 2.19 6.46 -1.60 -3.31 115.31 114.39 1pqn h LEU 19 Ca 0.20 -0.85 -0.71 0.00 -0.12 0.00 0.00 57.88 56.40 1pqn h LEU 19 Cb -0.00 -0.07 -0.13 0.00 -0.73 0.00 0.00 40.66 39.73 1pqn h LEU 19 CO -0.08 1.36 2.21 -0.24 -0.62 0.00 0.00 178.44 181.07 1pqn n SER 20 N -4.27 7.89 -0.27 1.25 2.88 0.22 -4.66 113.62 116.66 1pqn n SER 20 Ca -0.20 -3.14 0.02 0.00 -1.33 0.00 0.00 58.87 54.23 1pqn n SER 20 Cb 0.72 -1.35 0.16 0.00 -0.75 0.00 0.00 64.21 62.98 1pqn n SER 20 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1pqn h GLU 21 N 4.42 0.68 -3.61 -1.46 -0.00 -1.65 -3.42 114.58 109.54 1pqn h GLU 21 Ca 0.67 -0.04 -0.27 0.00 -0.00 0.00 0.00 59.36 59.72 1pqn h GLU 21 Cb 0.35 -0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 28.93 1pqn h GLU 21 CO 1.41 0.45 -0.34 -1.91 -0.00 0.00 0.00 179.01 178.62 1pqn n GLU 22 N -4.80 -2.12 0.00 1.06 2.13 -1.26 -4.63 120.64 111.02 1pqn n GLU 22 Ca 0.13 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1pqn n GLU 22 Cb 0.28 -5.24 0.00 0.00 0.27 0.00 0.00 31.44 26.75 1pqn n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pqn n ASP 23 N -1.76 0.00 0.00 4.31 8.00 -1.26 -5.08 116.55 120.75 1pqn n ASP 23 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1pqn n ASP 23 Cb 0.61 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1pqn n ASP 23 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1pqn n ARG 24 N -1.69 0.00 -1.54 -1.24 0.63 0.56 -4.87 116.66 108.50 1pqn n ARG 24 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1pqn n ARG 24 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1pqn n ARG 24 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1pqn n VAL 25 N -0.54 0.00 -3.63 5.15 0.31 -1.07 -4.79 118.33 113.76 1pqn n VAL 25 Ca 0.00 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1pqn n VAL 25 Cb 0.00 0.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.95 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 -2.67 0.00 -0.05 2.52 0.11 -0.53 -2.50 120.40 117.28 1pqn s VAL 26 Ca 0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1pqn s VAL 26 Cb -0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1pqn s VAL 26 CO 0.01 0.00 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.92 1pqn s VAL 27 N 0.20 2.81 -0.07 2.04 1.01 0.12 0.28 120.40 126.79 1pqn s VAL 27 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1pqn s VAL 27 Cb -0.05 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1pqn s VAL 27 CO -0.04 0.58 -0.05 -0.63 0.00 0.00 0.00 175.10 174.97 1pqn s ILE 28 N -0.62 0.68 -0.15 2.22 -1.09 0.33 0.23 121.20 122.80 1pqn s ILE 28 Ca 0.09 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1pqn s ILE 28 Cb -0.11 -0.73 -0.03 0.00 -1.58 0.00 0.00 42.46 40.02 1pqn s ILE 28 CO 0.01 0.29 -0.04 -0.60 -1.23 0.00 0.00 174.94 173.36 1pqn s ARG 29 N 1.38 3.60 -0.20 2.79 3.52 -1.07 -1.31 118.95 127.66 1pqn s ARG 29 Ca -0.03 -0.53 -0.09 0.00 -0.13 0.00 0.00 55.73 54.95 1pqn s ARG 29 Cb -0.13 -2.88 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 1pqn s ARG 29 CO -0.03 0.27 0.11 -0.06 -0.81 0.00 0.00 175.30 174.78 1pqn s PHE 30 N 0.28 3.34 -5.00 5.12 0.08 -0.56 -0.25 117.98 120.99 1pqn s PHE 30 Ca -0.04 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1pqn s PHE 30 Cb -0.14 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1pqn s PHE 30 CO 0.03 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 1pqn n GLY 31 N 3.65 -0.11 3.74 4.36 0.00 -0.96 -2.63 105.19 113.26 1pqn n GLY 31 Ca -0.16 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.12 2.93 0.35 1.61 2.46 -1.26 -1.30 115.29 116.96 1pqn s HIS 32 Ca 0.00 -0.15 0.11 0.00 0.47 0.00 0.00 55.06 55.49 1pqn s HIS 32 Cb 0.00 -1.33 0.64 0.00 -0.13 0.00 0.00 32.58 31.77 1pqn s HIS 32 CO 0.00 0.56 1.79 0.22 -2.47 0.00 0.00 174.74 174.84 1pqn h ASP 33 N 1.82 0.07 -0.81 9.88 1.82 -1.99 -2.83 116.42 124.38 1pqn h ASP 33 Ca -0.47 -0.03 -0.48 0.00 -0.39 0.00 0.00 57.03 55.67 1pqn h ASP 33 Cb 1.24 -0.02 -0.27 0.00 0.68 0.00 0.00 39.33 40.96 1pqn h ASP 33 CO 0.60 0.45 0.37 0.79 -1.61 0.00 0.00 179.24 179.84 1pqn n TRP 34 N -4.08 2.57 -3.37 0.28 7.02 -1.26 -4.85 117.44 113.76 1pqn n TRP 34 Ca -0.02 -2.16 -0.32 0.00 -1.02 0.00 0.00 57.50 53.98 1pqn n TRP 34 Cb 0.42 -0.91 -0.05 0.00 -2.42 0.00 0.00 31.31 28.35 1pqn n TRP 34 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1pqn s ASP 35 N -2.01 6.65 0.02 -0.99 1.01 -1.07 -5.03 116.67 115.25 1pqn s ASP 35 Ca 0.55 0.98 -0.10 0.00 0.71 0.00 0.00 52.55 54.69 1pqn s ASP 35 Cb 0.46 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 42.09 1pqn s ASP 35 CO 0.04 -0.09 1.15 1.55 0.21 0.00 0.00 175.17 178.03 1pqn h PRO 36 N 2.51 -0.34 -0.54 8.23 0.13 -1.94 -2.35 132.00 137.70 1pqn h PRO 36 Ca -0.47 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1pqn h PRO 36 Cb 1.17 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1pqn h PRO 36 CO 0.68 -0.23 0.38 1.15 -0.23 0.00 0.00 178.00 179.75 1pqn h THR 37 N -0.35 0.79 -0.13 1.56 2.02 -1.84 0.10 112.91 115.06 1pqn h THR 37 Ca -0.03 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1pqn h THR 37 Cb 0.27 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1pqn h THR 37 CO 0.05 0.02 -0.06 0.00 0.37 0.00 0.00 175.52 175.90 1pqn h MET 39 N 0.19 0.59 0.18 0.00 -1.53 -0.25 -1.58 114.93 112.53 1pqn h MET 39 Ca 0.04 -0.46 -0.01 0.00 -3.44 0.00 0.00 59.70 55.84 1pqn h MET 39 Cb 0.24 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 1pqn h MET 39 CO 0.01 1.08 -0.09 0.87 0.14 0.00 0.00 176.91 178.93 1pqn h LYS 40 N 0.42 -0.23 -0.85 0.39 1.57 -1.29 0.26 116.57 116.84 1pqn h LYS 40 Ca -0.03 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pqn h LYS 40 Cb 1.30 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.62 1pqn h LYS 40 CO 0.13 0.16 0.48 1.98 -0.57 0.00 0.00 179.45 181.62 1pqn h MET 41 N -0.69 1.18 -0.19 3.15 4.05 -1.37 -1.88 114.93 119.18 1pqn h MET 41 Ca -0.02 -0.13 -0.12 0.00 -0.28 0.00 0.00 59.70 59.14 1pqn h MET 41 Cb 0.49 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1pqn h MET 41 CO 0.04 0.86 -0.37 -0.44 0.23 0.00 0.00 176.91 177.23 1pqn h ASP 42 N 1.19 0.65 -0.66 1.39 3.32 -1.31 -0.50 116.42 120.48 1pqn h ASP 42 Ca 0.30 -0.55 0.07 0.00 0.02 0.00 0.00 57.03 56.88 1pqn h ASP 42 Cb 0.02 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1pqn h ASP 42 CO -0.05 1.08 0.44 -0.33 -1.72 0.00 0.00 179.24 178.66 1pqn h GLU 43 N 0.25 0.60 0.04 3.56 4.39 -0.24 -1.40 114.58 121.78 1pqn h GLU 43 Ca 0.01 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.42 1pqn h GLU 43 Cb 0.97 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1pqn h GLU 43 CO 0.08 0.40 -1.29 -0.24 -1.16 0.00 0.00 179.01 176.81 1pqn h VAL 44 N 0.62 1.39 -0.57 3.13 3.04 -1.28 -3.34 116.25 119.24 1pqn h VAL 44 Ca 0.29 -3.11 0.10 0.00 -1.01 0.00 0.00 66.70 62.98 1pqn h VAL 44 Cb 0.35 2.75 -0.08 0.00 -2.01 0.00 0.00 31.29 32.30 1pqn h VAL 44 CO -0.09 0.83 0.12 0.25 -1.01 0.00 0.00 177.57 177.67 1pqn h LEU 45 N 0.02 0.00 -2.07 3.16 7.12 0.05 0.48 115.31 124.07 1pqn h LEU 45 Ca -0.13 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.00 1pqn h LEU 45 Cb 1.89 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 42.16 1pqn h LEU 45 CO 0.13 0.02 0.05 0.22 -0.13 0.00 0.00 178.44 178.73 1pqn h TYR 46 N 0.25 0.00 0.00 1.25 5.03 -1.62 0.34 116.97 122.22 1pqn h TYR 46 Ca 0.29 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.37 1pqn h TYR 46 Cb 0.42 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 1pqn h TYR 46 CO -0.24 0.00 -1.54 1.03 -1.32 0.00 0.00 178.16 176.08 1pqn h SER 47 N 0.00 0.00 -0.69 -2.11 0.87 -1.02 -3.35 113.55 107.25 1pqn h SER 47 Ca 0.03 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.31 1pqn h SER 47 Cb 0.13 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.93 1pqn h SER 47 CO -0.00 0.80 0.29 2.30 -0.53 0.00 0.00 176.83 179.69 1pqn n ILE 48 N -2.98 2.88 -0.10 2.23 -5.35 0.14 -4.48 119.36 111.70 1pqn n ILE 48 Ca -0.13 -1.97 -0.23 0.00 -0.27 0.00 0.00 62.75 60.14 1pqn n ILE 48 Cb 0.95 -0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 38.36 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pqn n ALA 49 N -0.68 0.88 -0.13 -1.28 0.00 0.03 -4.19 120.51 115.15 1pqn n ALA 49 Ca 0.43 -0.62 0.28 0.00 0.00 0.00 0.00 53.44 53.53 1pqn n ALA 49 Cb 1.36 -0.44 0.70 0.00 0.00 0.00 0.00 19.45 21.07 1pqn n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pqn h GLU 50 N -0.89 0.00 0.07 0.00 4.11 -1.82 0.65 114.58 116.69 1pqn h GLU 50 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.00 1pqn h GLU 50 Cb 1.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1pqn h GLU 50 CO -0.22 0.00 -0.07 0.87 0.07 0.00 0.00 179.01 179.66 1pqn h LYS 51 N 0.00 -0.13 -0.49 1.06 1.79 -1.86 -3.25 116.57 113.68 1pqn h LYS 51 Ca 0.40 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.71 1pqn h LYS 51 Cb 1.86 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 32.44 1pqn h LYS 51 CO -0.00 -0.09 0.11 1.33 -1.08 0.00 0.00 179.45 179.71 1pqn n VAL 52 N -2.69 2.64 -0.20 0.50 0.24 -0.94 -4.66 118.33 113.21 1pqn n VAL 52 Ca -0.02 -2.12 0.29 0.00 -2.04 0.00 0.00 64.34 60.46 1pqn n VAL 52 Cb 0.06 -0.32 0.73 0.00 -1.47 0.00 0.00 33.84 32.84 1pqn n VAL 52 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1pqn h LYS 53 N 1.68 0.00 -0.31 7.34 2.10 0.25 0.35 116.57 127.98 1pqn h LYS 53 Ca 0.20 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.68 1pqn h LYS 53 Cb 1.89 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.11 1pqn h LYS 53 CO 0.50 0.00 -0.18 0.27 -2.00 0.00 0.00 179.45 178.04 1pqn n ASN 54 N -4.25 2.48 0.03 7.07 6.94 -1.26 -4.66 115.26 121.60 1pqn n ASN 54 Ca 0.19 -3.82 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 1pqn n ASN 54 Cb 1.00 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1pqn n ASN 54 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1pqn n PHE 55 N -1.11 -0.40 -4.63 -2.53 3.72 0.10 -4.96 117.46 107.65 1pqn n PHE 55 Ca 0.32 0.07 -0.30 0.00 -0.05 0.00 0.00 57.45 57.49 1pqn n PHE 55 Cb 0.97 0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 39.81 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 -2.00 3.70 -0.10 4.37 0.00 -0.03 -0.32 121.76 127.38 1pqn s ALA 56 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 1pqn s ALA 56 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1pqn s ALA 56 CO 0.00 -0.09 0.19 0.14 0.00 0.00 0.00 175.76 176.00 1pqn s VAL 57 N -2.79 -0.30 0.39 0.00 -7.23 -1.04 -4.63 120.40 104.80 1pqn s VAL 57 Ca 0.21 0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.69 1pqn s VAL 57 Cb 0.05 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 1pqn s VAL 57 CO 0.11 0.13 0.62 -0.51 -0.31 0.00 0.00 175.10 175.13 1pqn s ILE 58 N 2.33 4.83 -0.29 -0.62 2.07 -1.26 -0.70 121.20 127.56 1pqn s ILE 58 Ca 0.03 -0.35 -0.14 0.00 -1.41 0.00 0.00 60.65 58.77 1pqn s ILE 58 Cb -0.12 -3.78 0.11 0.00 0.13 0.00 0.00 42.46 38.80 1pqn s ILE 58 CO -0.07 -0.56 0.74 -0.31 -1.91 0.00 0.00 174.94 172.83 1pqn s TYR 59 N -2.45 -1.05 0.35 3.50 2.02 0.14 -4.71 117.35 115.15 1pqn s TYR 59 Ca 0.43 2.00 -0.25 0.00 -0.37 0.00 0.00 57.07 58.88 1pqn s TYR 59 Cb -0.10 0.63 -0.10 0.00 -0.40 0.00 0.00 41.96 41.99 1pqn s TYR 59 CO 0.38 -0.52 0.96 -0.51 -1.57 0.00 0.00 175.55 174.29 1pqn s LEU 60 N 1.99 4.24 -0.18 -1.29 2.01 -1.07 -2.59 118.68 121.78 1pqn s LEU 60 Ca -0.08 1.84 0.00 0.00 0.01 0.00 0.00 54.13 55.90 1pqn s LEU 60 Cb -0.07 -4.14 0.04 0.00 0.01 0.00 0.00 46.19 42.04 1pqn s LEU 60 CO -0.19 -0.19 -0.09 -0.69 1.01 0.00 0.00 176.35 176.21 1pqn s VAL 61 N -1.73 1.44 -0.57 -1.59 1.01 0.65 0.04 120.40 119.66 1pqn s VAL 61 Ca 0.54 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 1pqn s VAL 61 Cb -0.17 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1pqn s VAL 61 CO 0.22 0.18 1.63 -1.81 0.00 0.00 0.00 175.10 175.32 1pqn s ASP 62 N 1.49 5.76 -1.00 3.32 1.01 -1.25 -2.25 116.67 123.75 1pqn s ASP 62 Ca -0.00 0.38 -0.08 0.00 0.71 0.00 0.00 52.55 53.55 1pqn s ASP 62 Cb -0.16 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 1pqn s ASP 62 CO -0.08 -1.99 3.21 0.00 0.21 0.00 0.00 175.17 176.52 1pqn n ILE 63 N 7.03 3.83 0.00 0.77 0.13 -0.42 -2.61 119.36 128.09 1pqn n ILE 63 Ca 0.16 -2.20 0.00 0.00 -1.10 0.00 0.00 62.75 59.61 1pqn n ILE 63 Cb 0.50 -2.37 0.00 0.00 -0.84 0.00 0.00 39.64 36.93 1pqn n ILE 63 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 1pqn n THR 64 N 3.12 0.00 -0.00 9.51 -1.04 -1.26 -4.91 114.28 119.70 1pqn n THR 64 Ca 0.65 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.57 1pqn n THR 64 Cb 0.49 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.02 -6.82 -2.82 4.81 -1.96 -3.47 114.58 104.35 1pqn h GLU 65 Ca 0.00 -0.03 -0.51 0.00 -0.13 0.00 0.00 59.36 58.68 1pqn h GLU 65 Cb 0.00 0.01 0.04 0.00 0.63 0.00 0.00 28.75 29.43 1pqn h GLU 65 CO 0.00 0.62 0.56 0.54 -0.73 0.00 0.00 179.01 180.01 1pqn s VAL 66 N -2.61 3.15 -0.86 0.32 0.11 -1.07 -4.86 120.40 114.57 1pqn s VAL 66 Ca -0.05 1.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.93 1pqn s VAL 66 Cb 0.08 -3.72 -0.21 0.00 -1.53 0.00 0.00 36.38 31.01 1pqn s VAL 66 CO 0.82 0.26 2.29 -2.65 -3.33 0.00 0.00 175.10 172.49 1pqn n PRO 67 N 1.22 0.34 -2.48 1.54 -0.02 -1.26 -4.89 135.00 129.44 1pqn n PRO 67 Ca 0.00 -0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 60.66 1pqn n PRO 67 Cb 0.43 -2.73 0.10 0.00 -0.02 0.00 0.00 33.50 31.29 1pqn n PRO 67 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1pqn s ASP 68 N 6.86 4.37 -0.04 2.55 -4.77 -1.26 -5.04 116.67 119.34 1pqn s ASP 68 Ca 1.04 -0.17 0.02 0.00 -3.30 0.00 0.00 52.55 50.14 1pqn s ASP 68 Cb -0.37 -0.27 0.05 0.00 -1.09 0.00 0.00 42.92 41.24 1pqn s ASP 68 CO 0.25 -1.85 0.57 0.33 0.70 0.00 0.00 175.17 175.17 1pqn n PHE 69 N -2.89 -0.25 0.00 2.11 -0.00 -1.26 -5.04 117.46 110.13 1pqn n PHE 69 Ca 0.13 -0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 1pqn n PHE 69 Cb 0.60 0.63 0.00 0.00 -0.00 0.00 0.00 39.48 40.71 1pqn n PHE 69 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1pqn n ASN 70 N -0.19 0.00 0.00 -2.13 4.05 -1.26 -4.81 115.26 110.93 1pqn n ASN 70 Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1pqn n ASN 70 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1pqn n ASN 70 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1pqn n LYS 71 N 0.00 0.00 0.09 1.20 4.81 -1.26 -2.59 118.16 120.40 1pqn n LYS 71 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pqn n LYS 71 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1pqn n LYS 71 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pqn n MET 72 N 0.00 0.00 -0.95 1.64 2.81 -1.26 -5.01 117.12 114.36 1pqn n MET 72 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1pqn n MET 72 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 1pqn n MET 72 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1pqn n TYR 73 N -3.00 -0.02 0.01 2.03 9.36 -1.18 -5.02 117.16 119.35 1pqn n TYR 73 Ca 0.00 -0.44 -0.05 0.00 3.32 0.00 0.00 57.90 60.73 1pqn n TYR 73 Cb 0.00 0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 39.15 1pqn n TYR 73 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1pqn h GLU 74 N 0.01 -0.19 -5.97 2.98 3.07 -1.89 -3.37 114.58 109.21 1pqn h GLU 74 Ca -0.49 0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 57.77 1pqn h GLU 74 Cb 1.29 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 29.12 1pqn h GLU 74 CO -0.25 -0.13 0.50 -1.17 -1.40 0.00 0.00 179.01 176.56 1pqn s LEU 75 N -6.60 4.12 0.01 1.33 1.98 -1.26 -4.52 118.68 113.74 1pqn s LEU 75 Ca -0.05 -0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.15 1pqn s LEU 75 Cb 0.02 -3.06 0.00 0.00 0.66 0.00 0.00 46.19 43.81 1pqn s LEU 75 CO 0.18 -1.03 0.00 0.00 -1.89 0.00 0.00 176.35 173.61 1pqn n TYR 76 N 7.04 -0.72 -2.90 5.38 4.19 -1.26 -5.06 117.16 123.83 1pqn n TYR 76 Ca 0.04 0.04 -0.33 0.00 3.31 0.00 0.00 57.90 60.96 1pqn n TYR 76 Cb 0.48 0.21 -0.07 0.00 0.49 0.00 0.00 39.34 40.45 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 -1.17 6.90 0.07 2.98 1.01 -1.26 -5.01 116.67 120.19 1pqn s ASP 77 Ca 0.00 1.58 -0.26 0.00 0.71 0.00 0.00 52.55 54.59 1pqn s ASP 77 Cb 0.00 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 1pqn s ASP 77 CO 0.00 -0.32 1.40 -0.65 0.21 0.00 0.00 175.17 175.81 1pqn h PRO 78 N 2.00 -0.59 -3.58 8.23 0.11 -1.96 -3.47 132.00 132.74 1pqn h PRO 78 Ca -0.49 0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1pqn h PRO 78 Cb 1.18 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 1pqn h PRO 78 CO 0.62 -0.39 -0.04 0.00 -0.21 0.00 0.00 178.00 177.98 1pqn s THR 80 N -3.60 0.00 0.17 0.00 -1.32 -1.08 -3.87 115.64 105.94 1pqn s THR 80 Ca 0.22 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.74 1pqn s THR 80 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1pqn s THR 80 CO 0.11 0.00 0.20 0.54 -2.21 0.00 0.00 174.62 173.26 1pqn s VAL 81 N -0.89 4.82 -0.02 5.08 0.11 -1.26 -1.50 120.40 126.75 1pqn s VAL 81 Ca 0.08 -0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 57.98 1pqn s VAL 81 Cb -0.01 -3.48 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1pqn s VAL 81 CO -0.08 -0.12 0.44 -0.04 -3.33 0.00 0.00 175.10 171.96 1pqn s MET 82 N -3.22 0.82 0.08 1.54 -1.94 -0.42 -4.56 119.30 111.61 1pqn s MET 82 Ca 0.32 -0.08 0.07 0.00 -1.71 0.00 0.00 55.69 54.29 1pqn s MET 82 Cb -0.10 0.37 -0.04 0.00 2.01 0.00 0.00 34.83 37.07 1pqn s MET 82 CO 0.26 -0.25 -0.12 -0.06 -0.01 0.00 0.00 175.02 174.84 1pqn s PHE 83 N -1.44 2.71 -0.03 -0.03 0.08 -1.06 -0.51 117.98 117.68 1pqn s PHE 83 Ca -0.12 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1pqn s PHE 83 Cb -0.03 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 1pqn s PHE 83 CO 0.05 0.39 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.44 1pqn s PHE 84 N -1.14 0.76 -0.06 0.36 0.08 0.14 -3.81 117.98 114.31 1pqn s PHE 84 Ca 0.19 -0.19 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 1pqn s PHE 84 Cb -0.11 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 1pqn s PHE 84 CO 0.11 -0.12 0.35 0.12 -0.10 0.00 0.00 175.22 175.58 1pqn s PHE 85 N 0.48 -0.28 -0.78 0.36 5.36 -1.26 -1.46 117.98 120.39 1pqn s PHE 85 Ca -0.07 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 1pqn s PHE 85 Cb -0.10 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1pqn s PHE 85 CO 0.00 -0.33 0.00 -2.13 -1.46 0.00 0.00 175.22 171.31 1pqn n ARG 86 N 1.86 -2.21 -2.55 10.12 0.00 -1.26 0.23 116.66 122.86 1pqn n ARG 86 Ca -0.18 0.44 -0.19 0.00 -0.00 0.00 0.00 57.85 57.92 1pqn n ARG 86 Cb 0.57 -4.93 -0.00 0.00 0.00 0.00 0.00 32.46 28.09 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 -1.38 -5.33 -1.14 6.15 5.15 -1.25 -4.96 115.26 112.50 1pqn n ASN 87 Ca -0.10 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1pqn n ASN 87 Cb 0.52 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 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 -3.15 2.36 -4.45 1.20 3.00 0.14 -4.99 118.16 112.26 1pqn n LYS 88 Ca -0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.78 1pqn n LYS 88 Cb 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.55 1pqn n LYS 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1pqn s HIS 89 N 0.66 2.95 -0.28 5.64 5.65 -1.26 -4.40 115.29 124.25 1pqn s HIS 89 Ca 0.00 -0.48 -0.08 0.00 0.25 0.00 0.00 55.06 54.75 1pqn s HIS 89 Cb 0.00 -1.94 0.13 0.00 -1.18 0.00 0.00 32.58 29.59 1pqn s HIS 89 CO 0.00 -0.16 0.59 -1.50 -0.65 0.00 0.00 174.74 173.02 1pqn s ILE 90 N 0.51 -0.91 0.13 0.89 -1.16 -1.25 -5.01 121.20 114.40 1pqn s ILE 90 Ca -0.05 0.03 0.04 0.00 -0.51 0.00 0.00 60.65 60.16 1pqn s ILE 90 Cb -0.15 -0.92 -0.04 0.00 0.61 0.00 0.00 42.46 41.96 1pqn s ILE 90 CO 0.03 0.01 0.12 -0.04 -2.81 0.00 0.00 174.94 172.26 1pqn s MET 91 N 2.82 2.93 0.18 3.50 -1.94 -1.26 -2.58 119.30 122.95 1pqn s MET 91 Ca -0.01 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1pqn s MET 91 Cb -0.12 -2.70 -0.00 0.00 2.01 0.00 0.00 34.83 34.01 1pqn s MET 91 CO -0.18 0.52 0.22 0.44 -0.01 0.00 0.00 175.02 176.01 1pqn n ILE 92 N -0.05 0.00 -3.62 2.53 -0.00 -1.26 -4.89 119.36 112.06 1pqn n ILE 92 Ca -0.08 -1.05 -0.29 0.00 -0.00 0.00 0.00 62.75 61.33 1pqn n ILE 92 Cb 0.53 0.60 -0.15 0.00 -0.00 0.00 0.00 39.64 40.61 1pqn n ILE 92 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1pqn s ASP 93 N -2.16 3.42 0.53 7.28 1.11 -1.26 -4.68 116.67 120.90 1pqn s ASP 93 Ca 0.17 -1.22 0.18 0.00 0.18 0.00 0.00 52.55 51.86 1pqn s ASP 93 Cb 0.00 -0.49 1.36 0.00 1.07 0.00 0.00 42.92 44.86 1pqn s ASP 93 CO 0.12 -0.40 2.16 0.17 1.18 0.00 0.00 175.17 178.40 1pqn h LEU 94 N 8.31 0.00 0.00 1.23 8.10 -1.92 -3.44 115.31 127.59 1pqn h LEU 94 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1pqn h LEU 94 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.26 1pqn h LEU 94 CO 0.41 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 175.36 1pqn n GLY 95 N -1.49 2.35 3.09 0.17 0.00 -1.25 -3.03 105.19 105.03 1pqn n GLY 95 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pqn s THR 96 N 3.82 0.19 0.00 2.61 2.01 -1.16 -4.92 115.64 118.19 1pqn s THR 96 Ca 0.00 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.44 1pqn s THR 96 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1pqn s THR 96 CO 0.00 -0.86 0.00 0.61 -0.69 0.00 0.00 174.62 173.68 1pqn n GLY 97 N 0.33 -0.22 2.79 4.40 0.00 -1.26 -4.69 105.19 106.55 1pqn n GLY 97 Ca -0.16 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 -6.03 0.17 1.61 4.05 -1.26 -4.68 115.26 107.18 1pqn n ASN 98 Ca 0.00 -0.20 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1pqn n ASN 98 Cb 0.00 -4.91 0.00 0.00 1.23 0.00 0.00 39.78 36.10 1pqn n ASN 98 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1pqn n ASN 99 N -2.29 -2.91 -1.85 1.20 3.02 -1.26 -5.17 115.26 106.00 1pqn n ASN 99 Ca -0.16 0.65 -0.07 0.00 -0.03 0.00 0.00 54.58 54.97 1pqn n ASN 99 Cb 0.64 2.83 -0.03 0.00 -0.61 0.00 0.00 39.78 42.62 1pqn n ASN 99 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pqn n ASN 100 N -3.21 -0.08 -4.25 6.41 5.15 -1.26 -5.15 115.26 112.87 1pqn n ASN 100 Ca 0.00 -1.77 -0.34 0.00 -0.60 0.00 0.00 54.58 51.88 1pqn n ASN 100 Cb 0.00 0.56 0.14 0.00 -0.53 0.00 0.00 39.78 39.95 1pqn n ASN 100 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pqn n LYS 101 N -0.24 -1.12 -2.95 1.20 4.76 -1.26 -4.71 118.16 113.84 1pqn n LYS 101 Ca 0.02 -0.31 -0.44 0.00 -2.87 0.00 0.00 58.31 54.71 1pqn n LYS 101 Cb 0.21 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1pqn n ILE 102 N -4.09 4.27 -0.03 -0.18 2.08 -1.26 -4.69 119.36 115.44 1pqn n ILE 102 Ca 0.01 -4.75 -0.07 0.00 0.56 0.00 0.00 62.75 58.50 1pqn n ILE 102 Cb 0.63 -2.47 -0.14 0.00 -0.75 0.00 0.00 39.64 36.91 1pqn n ILE 102 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1pqn n ASN 103 N 5.52 0.67 0.05 4.38 3.02 -1.25 -4.07 115.26 123.57 1pqn n ASN 103 Ca 0.37 0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 55.19 1pqn n ASN 103 Cb 0.42 0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.74 1pqn n ASN 103 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1pqn h TRP 104 N 0.00 0.00 -3.42 3.10 4.06 -1.84 -3.39 115.95 114.46 1pqn h TRP 104 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1pqn h TRP 104 Cb 1.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.15 1pqn h TRP 104 CO 0.00 0.80 -0.82 0.00 -3.56 0.00 0.00 178.44 174.86 1pqn n ALA 105 N -2.38 -2.02 0.00 1.49 0.00 -1.26 -4.72 120.51 111.62 1pqn n ALA 105 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1pqn n ALA 105 Cb 0.90 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1pqn n ALA 105 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1pqn n MET 106 N -0.40 0.00 -0.96 0.00 0.00 -1.26 -4.94 117.12 109.55 1pqn n MET 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1pqn n MET 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -0.01 -0.84 -1.00 2.12 -0.58 -1.26 -2.99 120.64 116.08 1pqn n GLU 107 Ca 0.00 0.21 -0.35 0.00 -0.42 0.00 0.00 57.16 56.60 1pqn n GLU 107 Cb 0.00 -3.92 0.08 0.00 -0.57 0.00 0.00 31.44 27.02 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pqn n ASP 108 N -0.42 -3.10 0.00 1.62 9.92 -1.26 -2.50 116.55 120.80 1pqn n ASP 108 Ca 0.00 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1pqn n ASP 108 Cb 0.21 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1pqn n ASP 108 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1pqn n LYS 109 N -0.03 0.00 -0.06 -1.24 5.02 -1.26 -4.62 118.16 115.97 1pqn n LYS 109 Ca 0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1pqn n LYS 109 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.36 -0.23 1.97 1.13 -1.04 -3.56 117.38 116.00 1pqn n GLN 110 Ca 0.00 0.47 -0.08 0.00 -1.94 0.00 0.00 57.00 55.45 1pqn n GLN 110 Cb 0.00 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 28.89 1pqn n GLN 110 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1pqn h GLU 111 N -0.79 1.10 0.64 -1.09 4.57 -1.75 -2.23 114.58 115.03 1pqn h GLU 111 Ca 0.00 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 1pqn h GLU 111 Cb 0.40 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1pqn h GLU 111 CO 0.00 1.02 -0.36 0.52 -1.18 0.00 0.00 179.01 179.01 1pqn h MET 112 N 1.02 -0.89 -0.98 1.92 2.86 -1.76 0.24 114.93 117.34 1pqn h MET 112 Ca 0.20 0.06 0.22 0.00 -2.06 0.00 0.00 59.70 58.12 1pqn h MET 112 Cb 0.46 0.20 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 1pqn h MET 112 CO 0.02 -0.59 0.63 0.28 1.06 0.00 0.00 176.91 178.30 1pqn h VAL 113 N -0.92 0.63 -0.33 -2.22 2.07 -1.61 0.35 116.25 114.22 1pqn h VAL 113 Ca -0.09 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1pqn h VAL 113 Cb 0.73 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1pqn h VAL 113 CO 0.11 0.09 -0.43 0.44 0.02 0.00 0.00 177.57 177.80 1pqn h ASP 114 N 0.48 0.95 -0.03 0.57 5.19 -1.05 -2.80 116.42 119.72 1pqn h ASP 114 Ca 0.54 -0.50 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1pqn h ASP 114 Cb 1.24 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 40.48 1pqn h ASP 114 CO -0.26 1.26 -0.31 -0.29 -3.12 0.00 0.00 179.24 176.52 1pqn h ILE 115 N 0.67 1.48 -0.28 0.35 -0.00 0.17 -2.72 117.51 117.18 1pqn h ILE 115 Ca 0.04 -1.84 0.08 0.00 -0.00 0.00 0.00 64.86 63.14 1pqn h ILE 115 Cb 1.03 2.54 -0.01 0.00 -0.00 0.00 0.00 36.82 40.39 1pqn h ILE 115 CO 0.10 0.52 0.20 0.40 -0.00 0.00 0.00 178.15 179.37 1pqn h ILE 116 N -0.31 0.87 0.00 2.19 2.04 -0.49 0.32 117.51 122.12 1pqn h ILE 116 Ca -0.03 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 1pqn h ILE 116 Cb 1.01 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1pqn h ILE 116 CO 0.06 0.00 -0.95 -0.08 0.00 0.00 0.00 178.15 177.19 1pqn h GLU 117 N 0.01 0.00 0.00 2.37 4.81 -1.51 -2.77 114.58 117.50 1pqn h GLU 117 Ca 0.13 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.13 1pqn h GLU 117 Cb 0.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1pqn h GLU 117 CO -0.00 0.87 -1.19 1.15 -0.73 0.00 0.00 179.01 179.11 1pqn h THR 118 N 0.00 1.49 -0.03 0.32 2.02 -0.71 -2.74 112.91 113.26 1pqn h THR 118 Ca -0.02 -3.23 -0.07 0.00 0.77 0.00 0.00 66.41 63.86 1pqn h THR 118 Cb 1.71 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1pqn h THR 118 CO 0.11 0.85 -0.24 1.62 0.37 0.00 0.00 175.52 178.24 1pqn h VAL 119 N 0.00 1.48 -0.09 3.16 3.04 -0.52 -1.84 116.25 121.48 1pqn h VAL 119 Ca -0.09 -1.76 -0.10 0.00 -1.01 0.00 0.00 66.70 63.75 1pqn h VAL 119 Cb 1.84 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 33.63 1pqn h VAL 119 CO 0.12 0.49 -0.38 0.10 -1.01 0.00 0.00 177.57 176.89 1pqn h TYR 120 N -0.37 0.23 -0.04 3.17 -0.00 -1.62 0.82 116.97 119.16 1pqn h TYR 120 Ca -0.02 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.73 58.45 1pqn h TYR 120 Cb 0.92 -0.05 -0.00 0.00 -0.00 0.00 0.00 36.73 37.60 1pqn h TYR 120 CO 0.15 0.56 -0.82 0.00 -0.00 0.00 0.00 178.16 178.05 1pqn h ARG 121 N 0.17 0.37 0.12 0.10 3.08 -1.53 -3.34 114.38 113.35 1pqn h ARG 121 Ca 0.02 -0.35 -0.34 0.00 0.07 0.00 0.00 59.98 59.38 1pqn h ARG 121 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1pqn h ARG 121 CO 0.06 1.01 -1.80 0.78 -1.07 0.00 0.00 179.97 178.94 1pqn h GLY 122 N 1.35 0.29 -5.00 0.04 0.00 -1.14 -3.38 103.07 95.22 1pqn h GLY 122 Ca -0.05 -0.74 -0.59 0.00 0.00 0.00 0.00 47.33 45.95 1pqn h GLY 122 CO 0.14 0.65 2.12 0.00 0.00 0.00 0.00 176.54 179.45 1pqn n ALA 123 N -3.03 6.94 -0.11 3.60 0.00 0.28 -4.28 120.51 123.91 1pqn n ALA 123 Ca -0.30 -3.38 -0.14 0.00 0.00 0.00 0.00 53.44 49.62 1pqn n ALA 123 Cb 0.99 -2.80 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 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 2.31 0.68 0.00 0.00 1.74 -1.25 -4.81 116.66 115.33 1pqn n ARG 124 Ca 0.63 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1pqn n ARG 124 Cb 0.40 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.00 0.00 0.00 5.56 0.00 -1.26 -4.66 118.16 114.81 1pqn n LYS 125 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.31 57.92 1pqn n LYS 125 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.10 1pqn n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pqn n GLY 126 N 0.00 3.07 3.57 3.14 0.00 -1.26 -4.99 105.19 108.71 1pqn n GLY 126 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1pqn n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pqn s ARG 127 N 0.00 1.48 0.00 1.61 0.52 -1.26 -5.31 118.95 115.98 1pqn s ARG 127 Ca 0.00 0.16 0.18 0.00 -0.52 0.00 0.00 55.73 55.55 1pqn s ARG 127 Cb 0.00 -4.86 0.15 0.00 0.52 0.00 0.00 34.95 30.76 1pqn s ARG 127 CO 0.00 -4.78 1.08 0.41 0.02 0.00 0.00 175.30 172.03