#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqn s TYR 3 N 0.00 1.59 0.00 1.43 1.51 -1.26 -5.00 117.35 115.63 1pqn s TYR 3 Ca 0.00 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 57.86 1pqn s TYR 3 Cb 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1pqn s TYR 3 CO 0.00 -2.84 0.00 -1.33 -1.11 0.00 0.00 175.55 170.27 1pqn n MET 4 N -4.25 0.00 -1.46 -0.62 2.81 -1.26 -5.03 117.12 107.31 1pqn n MET 4 Ca 0.12 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.54 1pqn n MET 4 Cb 0.52 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 1pqn n MET 4 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1pqn n LEU 5 N -1.42 1.75 -4.77 4.03 -0.00 -1.26 -4.90 117.00 110.43 1pqn n LEU 5 Ca 0.00 0.21 -0.38 0.00 -0.00 0.00 0.00 56.01 55.83 1pqn n LEU 5 Cb 0.00 -1.24 -0.03 0.00 -0.00 0.00 0.00 43.42 42.15 1pqn n LEU 5 CO 0.00 -0.89 0.81 -2.16 -0.00 0.00 0.00 177.39 175.15 1pqn s PRO 6 N 7.11 4.24 0.00 1.47 0.04 -1.26 -4.93 135.00 141.67 1pqn s PRO 6 Ca 1.13 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1pqn s PRO 6 Cb -0.84 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1pqn s PRO 6 CO 0.46 -0.14 0.00 0.72 0.04 0.00 0.00 177.00 178.08 1pqn n HIS 7 N 0.35 -1.45 -4.22 0.56 8.25 -1.26 -2.19 115.22 115.27 1pqn n HIS 7 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1pqn n HIS 7 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 1pqn n HIS 7 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1pqn n LEU 8 N 0.00 0.00 0.06 2.41 7.99 0.99 -4.66 117.00 123.79 1pqn n LEU 8 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 56.01 54.92 1pqn n LEU 8 Cb 0.00 0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1pqn n LEU 8 CO 0.00 -0.17 0.00 1.41 -1.51 0.00 0.00 177.39 177.12 1pqn n HIS 9 N -0.47 -2.48 -3.57 -1.77 8.25 -1.26 -4.82 115.22 109.10 1pqn n HIS 9 Ca -0.07 0.38 -0.06 0.00 -0.26 0.00 0.00 57.72 57.71 1pqn n HIS 9 Cb 0.22 1.25 0.00 0.00 1.12 0.00 0.00 29.99 32.58 1pqn n HIS 9 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pqn n ASN 10 N -2.77 -0.96 0.05 0.41 3.02 -1.26 -3.17 115.26 110.58 1pqn n ASN 10 Ca 0.00 -1.87 0.18 0.00 -0.03 0.00 0.00 54.58 52.86 1pqn n ASN 10 Cb 0.00 1.66 0.68 0.00 -0.61 0.00 0.00 39.78 41.51 1pqn n ASN 10 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1pqn h GLY 11 N 1.00 0.00 0.98 7.41 0.00 -1.95 -1.43 103.07 109.08 1pqn h GLY 11 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1pqn h GLY 11 CO 0.20 0.00 -0.02 1.49 0.00 0.00 0.00 176.54 178.21 1pqn h TRP 12 N 0.00 -0.06 -0.13 5.60 -0.00 -1.98 0.68 115.95 120.06 1pqn h TRP 12 Ca 0.20 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.97 1pqn h TRP 12 Cb 0.82 0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.99 1pqn h TRP 12 CO 0.00 -0.02 -0.46 1.96 -0.00 0.00 0.00 178.44 179.92 1pqn h GLN 13 N -0.08 0.32 -0.06 0.49 1.08 -1.77 -2.82 115.11 112.27 1pqn h GLN 13 Ca -0.01 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1pqn h GLN 13 Cb 0.07 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1pqn h GLN 13 CO 0.01 0.72 0.01 0.28 -0.95 0.00 0.00 178.83 178.90 1pqn h VAL 14 N 0.26 1.20 -0.01 -0.54 2.07 -0.99 0.37 116.25 118.61 1pqn h VAL 14 Ca 0.02 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1pqn h VAL 14 Cb 0.91 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1pqn h VAL 14 CO 0.08 0.16 -0.03 -0.78 0.02 0.00 0.00 177.57 177.02 1pqn h ASP 15 N -0.13 0.01 0.89 0.57 1.82 -0.85 -1.60 116.42 117.13 1pqn h ASP 15 Ca 0.02 -0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.46 1pqn h ASP 15 Cb 0.25 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1pqn h ASP 15 CO 0.00 0.04 -1.19 -0.61 -1.61 0.00 0.00 179.24 175.87 1pqn h GLN 16 N 0.01 0.00 -0.28 0.28 4.15 -1.23 -3.33 115.11 114.72 1pqn h GLN 16 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1pqn h GLN 16 Cb 0.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1pqn h GLN 16 CO 0.00 0.58 0.09 0.00 -1.93 0.00 0.00 178.83 177.58 1pqn h ALA 17 N 1.21 0.36 -0.18 3.38 0.00 0.72 0.77 119.26 125.52 1pqn h ALA 17 Ca -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1pqn h ALA 17 Cb 1.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1pqn h ALA 17 CO 0.08 -0.01 0.12 0.97 0.00 0.00 0.00 179.25 180.42 1pqn h ILE 18 N 0.29 1.04 0.00 0.00 2.10 -1.59 -1.87 117.51 117.47 1pqn h ILE 18 Ca 0.09 -0.08 -0.16 0.00 1.08 0.00 0.00 64.86 65.79 1pqn h ILE 18 Cb 0.24 0.79 -0.03 0.00 -1.09 0.00 0.00 36.82 36.73 1pqn h ILE 18 CO -0.00 0.04 -1.39 0.18 -1.08 0.00 0.00 178.15 175.90 1pqn n LEU 19 N -4.51 0.86 0.03 2.19 7.99 -1.01 -4.01 117.00 118.54 1pqn n LEU 19 Ca -0.00 0.38 0.20 0.00 -0.01 0.00 0.00 56.01 56.58 1pqn n LEU 19 Cb 0.09 0.07 0.72 0.00 -0.11 0.00 0.00 43.42 44.18 1pqn n LEU 19 CO 0.35 0.13 1.18 -1.28 -1.51 0.00 0.00 177.39 176.26 1pqn h SER 20 N 0.00 0.00 -3.07 -1.43 0.87 0.14 -3.43 113.55 106.63 1pqn h SER 20 Ca -0.16 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.94 1pqn h SER 20 Cb 1.56 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.74 1pqn h SER 20 CO 0.04 0.00 -0.40 -1.84 -0.53 0.00 0.00 176.83 174.10 1pqn n GLU 21 N -4.20 -1.70 -1.02 2.24 0.28 -1.21 -4.88 120.64 110.15 1pqn n GLU 21 Ca 0.09 -0.47 -0.22 0.00 -0.16 0.00 0.00 57.16 56.41 1pqn n GLU 21 Cb 0.60 -2.00 0.11 0.00 1.43 0.00 0.00 31.44 31.58 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 -3.56 2.09 -0.96 3.44 4.71 -1.26 -4.81 120.64 120.29 1pqn n GLU 22 Ca 0.04 -2.39 0.00 0.00 -0.01 0.00 0.00 57.16 54.80 1pqn n GLU 22 Cb 0.56 -1.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1pqn n GLU 22 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1pqn n ASP 23 N -0.61 -3.38 0.00 1.62 -0.08 -1.26 -4.89 116.55 107.95 1pqn n ASP 23 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1pqn n ASP 23 Cb 1.11 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1pqn n ASP 23 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1pqn n ARG 24 N -1.47 0.00 -4.40 -0.67 0.63 -1.26 -4.56 116.66 104.93 1pqn n ARG 24 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1pqn n ARG 24 Cb 0.17 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.99 1pqn n ARG 24 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pqn s VAL 25 N 0.00 0.31 -0.28 5.15 1.01 -1.04 -4.39 120.40 121.16 1pqn s VAL 25 Ca 0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 59.76 1pqn s VAL 25 Cb 0.00 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1pqn s VAL 25 CO 0.00 0.00 0.97 0.54 0.00 0.00 0.00 175.10 176.61 1pqn s VAL 26 N -3.35 0.00 0.14 2.92 0.11 -0.64 -2.62 120.40 116.95 1pqn s VAL 26 Ca 0.32 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1pqn s VAL 26 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1pqn s VAL 26 CO 0.20 0.00 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.24 1pqn s VAL 27 N 0.64 3.60 -0.03 2.04 1.01 0.13 0.27 120.40 128.06 1pqn s VAL 27 Ca -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1pqn s VAL 27 Cb -0.05 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1pqn s VAL 27 CO -0.09 0.00 0.07 -0.63 0.00 0.00 0.00 175.10 174.45 1pqn s ILE 28 N -1.49 -0.04 -0.17 2.22 -1.09 0.13 -1.33 121.20 119.43 1pqn s ILE 28 Ca 0.25 0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.76 1pqn s ILE 28 Cb -0.10 -0.13 -0.04 0.00 -1.58 0.00 0.00 42.46 40.61 1pqn s ILE 28 CO 0.17 0.06 0.02 -0.60 -1.23 0.00 0.00 174.94 173.36 1pqn s ARG 29 N 0.83 3.85 -0.29 2.79 6.06 -0.50 0.22 118.95 131.91 1pqn s ARG 29 Ca -0.07 -0.42 -0.07 0.00 -2.50 0.00 0.00 55.73 52.68 1pqn s ARG 29 Cb -0.09 -3.10 0.01 0.00 0.06 0.00 0.00 34.95 31.82 1pqn s ARG 29 CO -0.03 0.25 0.08 -0.06 -2.50 0.00 0.00 175.30 173.04 1pqn s PHE 30 N 0.41 3.14 0.00 5.12 0.40 -0.74 0.21 117.98 126.52 1pqn s PHE 30 Ca 0.00 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.40 1pqn s PHE 30 Cb -0.13 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1pqn s PHE 30 CO 0.01 -0.56 0.00 0.41 0.70 0.00 0.00 175.22 175.78 1pqn n GLY 31 N 4.87 -0.24 3.53 4.36 0.00 -1.07 -3.17 105.19 113.47 1pqn n GLY 31 Ca -0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.37 0.48 1.61 2.46 -1.26 -1.79 115.29 116.43 1pqn s HIS 32 Ca 0.00 0.38 0.13 0.00 0.47 0.00 0.00 55.06 56.04 1pqn s HIS 32 Cb 0.00 0.51 1.13 0.00 -0.13 0.00 0.00 32.58 34.08 1pqn s HIS 32 CO 0.00 -0.49 2.11 -0.44 -2.47 0.00 0.00 174.74 173.45 1pqn h ASP 33 N 2.21 0.14 0.09 9.88 3.32 -1.93 -1.30 116.42 128.84 1pqn h ASP 33 Ca -0.21 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 1pqn h ASP 33 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1pqn h ASP 33 CO 0.31 0.12 -0.23 -0.50 -1.72 0.00 0.00 179.24 177.22 1pqn h TRP 34 N 0.16 0.27 -4.08 4.55 -0.00 -1.97 -3.38 115.95 111.50 1pqn h TRP 34 Ca 0.04 -0.05 -0.56 0.00 -0.00 0.00 0.00 58.89 58.33 1pqn h TRP 34 Cb 0.01 -0.07 0.15 0.00 -0.00 0.00 0.00 29.16 29.25 1pqn h TRP 34 CO 0.00 0.47 0.56 -0.25 -0.00 0.00 0.00 178.44 179.22 1pqn n ASP 35 N -4.18 2.38 -0.03 -3.49 8.00 -0.49 -4.90 116.55 113.84 1pqn n ASP 35 Ca -0.01 0.90 -0.13 0.00 0.71 0.00 0.00 54.79 56.26 1pqn n ASP 35 Cb 0.35 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 39.79 1pqn n ASP 35 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1pqn h PRO 36 N 0.94 0.15 -0.69 -0.24 0.13 -1.86 -2.10 132.00 128.33 1pqn h PRO 36 Ca -0.51 -0.07 0.10 0.00 -0.87 0.00 0.00 66.00 64.65 1pqn h PRO 36 Cb 1.32 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1pqn h PRO 36 CO 0.55 0.56 0.45 1.15 -0.23 0.00 0.00 178.00 180.49 1pqn h THR 37 N -0.26 0.91 0.00 1.56 2.02 -1.93 0.65 112.91 115.87 1pqn h THR 37 Ca 0.01 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.83 1pqn h THR 37 Cb 0.53 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1pqn h THR 37 CO 0.01 0.10 -0.86 0.00 0.37 0.00 0.00 175.52 175.14 1pqn h MET 39 N 0.04 0.26 -0.02 0.00 -1.53 -0.32 -2.78 114.93 110.59 1pqn h MET 39 Ca -0.03 -0.45 -0.00 0.00 -3.44 0.00 0.00 59.70 55.79 1pqn h MET 39 Cb 1.50 0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 32.72 1pqn h MET 39 CO 0.12 1.20 0.00 0.87 0.14 0.00 0.00 176.91 179.25 1pqn h LYS 40 N 0.07 0.03 0.27 0.39 1.79 0.18 0.14 116.57 119.45 1pqn h LYS 40 Ca -0.14 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1pqn h LYS 40 Cb 1.97 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1pqn h LYS 40 CO 0.20 0.29 -0.13 1.98 -1.08 0.00 0.00 179.45 180.71 1pqn h MET 41 N -0.23 -0.35 -0.66 3.15 4.05 -1.62 -2.36 114.93 116.91 1pqn h MET 41 Ca 0.01 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1pqn h MET 41 Cb 0.27 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 1pqn h MET 41 CO 0.00 -0.12 0.41 -0.44 0.23 0.00 0.00 176.91 176.99 1pqn h ASP 42 N -0.53 0.68 -0.29 1.39 5.19 -1.53 0.36 116.42 121.69 1pqn h ASP 42 Ca -0.04 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.42 1pqn h ASP 42 Cb 0.39 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1pqn h ASP 42 CO 0.06 0.47 0.20 -0.33 -3.12 0.00 0.00 179.24 176.52 1pqn h GLU 43 N 0.81 0.18 0.07 3.56 4.39 -0.64 -2.02 114.58 120.92 1pqn h GLU 43 Ca 0.26 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.73 1pqn h GLU 43 Cb 0.02 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1pqn h GLU 43 CO -0.10 0.12 -1.19 0.28 -1.16 0.00 0.00 179.01 176.96 1pqn h VAL 44 N 0.18 1.09 -0.96 3.13 2.07 -0.74 -3.34 116.25 117.69 1pqn h VAL 44 Ca 0.13 -2.33 0.21 0.00 0.82 0.00 0.00 66.70 65.53 1pqn h VAL 44 Cb 0.28 2.66 -0.12 0.00 -1.52 0.00 0.00 31.29 32.60 1pqn h VAL 44 CO -0.02 0.59 0.54 -0.07 0.02 0.00 0.00 177.57 178.62 1pqn h LEU 45 N -0.59 0.62 -0.83 2.57 3.38 -0.05 0.20 115.31 120.60 1pqn h LEU 45 Ca -0.28 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pqn h LEU 45 Cb 1.53 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 1pqn h LEU 45 CO -0.03 0.15 0.53 0.22 0.09 0.00 0.00 178.44 179.40 1pqn h TYR 46 N 0.60 1.07 -0.36 1.13 5.03 -1.52 0.70 116.97 123.62 1pqn h TYR 46 Ca 0.58 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.91 1pqn h TYR 46 Cb 1.02 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1pqn h TYR 46 CO -0.05 0.70 0.00 0.45 -1.32 0.00 0.00 178.16 177.94 1pqn n SER 47 N -4.47 2.00 -2.69 -2.11 2.88 0.44 -4.20 113.62 105.46 1pqn n SER 47 Ca 0.09 -1.98 -0.07 0.00 -1.33 0.00 0.00 58.87 55.58 1pqn n SER 47 Cb 0.03 -0.24 0.11 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.59 0.00 -0.10 2.46 0.13 0.27 -4.97 119.36 117.73 1pqn n ILE 48 Ca 0.13 -1.41 -0.12 0.00 -1.10 0.00 0.00 62.75 60.25 1pqn n ILE 48 Cb 0.32 0.96 -0.14 0.00 -0.84 0.00 0.00 39.64 39.94 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pqn n ALA 49 N -0.62 1.51 -0.26 1.51 0.00 0.23 -4.37 120.51 118.51 1pqn n ALA 49 Ca -0.06 -1.20 0.33 0.00 0.00 0.00 0.00 53.44 52.51 1pqn n ALA 49 Cb 0.83 -0.13 0.72 0.00 0.00 0.00 0.00 19.45 20.87 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 0.00 0.00 -0.10 0.00 4.11 -1.89 0.22 114.58 116.93 1pqn h GLU 50 Ca -0.53 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.85 1pqn h GLU 50 Cb 2.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 1pqn h GLU 50 CO -0.01 0.00 -0.15 0.87 0.07 0.00 0.00 179.01 179.80 1pqn h LYS 51 N 0.00 0.27 0.00 1.06 1.57 -1.96 -3.16 116.57 114.35 1pqn h LYS 51 Ca 0.51 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1pqn h LYS 51 Cb 2.20 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.52 1pqn h LYS 51 CO -0.01 0.73 -0.35 -0.39 -0.57 0.00 0.00 179.45 178.87 1pqn h VAL 52 N -0.17 0.94 -2.32 0.50 -1.51 -0.88 -3.45 116.25 109.37 1pqn h VAL 52 Ca 0.01 -1.34 -0.62 0.00 -1.23 0.00 0.00 66.70 63.53 1pqn h VAL 52 Cb 0.71 1.79 0.10 0.00 -2.13 0.00 0.00 31.29 31.76 1pqn h VAL 52 CO 0.03 0.34 0.22 1.17 -1.23 0.00 0.00 177.57 178.10 1pqn n LYS 53 N -3.68 1.35 -2.57 5.19 0.00 -0.21 -0.91 118.16 117.33 1pqn n LYS 53 Ca -0.01 0.48 -0.20 0.00 0.00 0.00 0.00 58.31 58.58 1pqn n LYS 53 Cb 0.45 -1.91 0.01 0.00 0.00 0.00 0.00 35.03 33.57 1pqn n LYS 53 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pqn n ASN 54 N 1.56 -5.61 0.00 3.14 5.15 -1.26 -4.71 115.26 113.53 1pqn n ASN 54 Ca 0.11 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1pqn n ASN 54 Cb 0.30 -4.58 0.00 0.00 -0.53 0.00 0.00 39.78 34.97 1pqn n ASN 54 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1pqn n PHE 55 N -4.16 -0.70 -3.73 1.20 3.72 -0.28 -5.11 117.46 108.40 1pqn n PHE 55 Ca -0.19 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 1pqn n PHE 55 Cb 0.65 0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 39.38 1pqn n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pqn s ALA 56 N -1.50 -0.69 -0.12 4.37 0.00 -0.08 -2.49 121.76 121.26 1pqn s ALA 56 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1pqn s ALA 56 Cb 0.00 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1pqn s ALA 56 CO 0.00 -0.51 -0.12 0.14 0.00 0.00 0.00 175.76 175.28 1pqn s VAL 57 N -3.20 1.31 0.21 0.00 -7.23 -1.08 -4.48 120.40 105.93 1pqn s VAL 57 Ca -0.01 -0.49 0.05 0.00 -1.81 0.00 0.00 61.98 59.73 1pqn s VAL 57 Cb 0.01 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1pqn s VAL 57 CO -0.07 0.41 0.25 -0.51 -0.31 0.00 0.00 175.10 174.87 1pqn s ILE 58 N 1.37 4.88 -0.25 -0.62 -1.16 -1.26 0.20 121.20 124.37 1pqn s ILE 58 Ca 0.00 -1.06 -0.19 0.00 -0.51 0.00 0.00 60.65 58.89 1pqn s ILE 58 Cb -0.13 -3.59 0.07 0.00 0.61 0.00 0.00 42.46 39.42 1pqn s ILE 58 CO -0.06 -0.24 0.64 -0.31 -2.81 0.00 0.00 174.94 172.16 1pqn s TYR 59 N -1.93 -0.82 -0.03 3.50 1.51 -0.44 -4.46 117.35 114.68 1pqn s TYR 59 Ca 0.33 1.83 -0.23 0.00 -1.01 0.00 0.00 57.07 57.99 1pqn s TYR 59 Cb -0.09 0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 42.09 1pqn s TYR 59 CO 0.27 -0.41 0.68 -0.51 -1.11 0.00 0.00 175.55 174.47 1pqn s LEU 60 N 0.89 4.36 -0.16 -1.29 2.01 -0.93 -1.42 118.68 122.15 1pqn s LEU 60 Ca -0.04 1.22 -0.03 0.00 0.01 0.00 0.00 54.13 55.28 1pqn s LEU 60 Cb -0.05 -3.06 -0.02 0.00 0.01 0.00 0.00 46.19 43.07 1pqn s LEU 60 CO -0.08 -0.03 -0.06 -0.69 1.01 0.00 0.00 176.35 176.50 1pqn s VAL 61 N 0.39 3.61 -0.31 -1.59 1.01 0.13 -0.01 120.40 123.64 1pqn s VAL 61 Ca 0.36 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 1pqn s VAL 61 Cb -0.18 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1pqn s VAL 61 CO 0.18 0.49 0.73 -1.81 0.00 0.00 0.00 175.10 174.69 1pqn s ASP 62 N 0.53 6.60 -1.06 3.32 1.01 -1.26 -2.59 116.67 123.23 1pqn s ASP 62 Ca -0.04 0.57 -0.07 0.00 0.71 0.00 0.00 52.55 53.71 1pqn s ASP 62 Cb -0.15 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1pqn s ASP 62 CO 0.03 -0.56 2.96 -0.38 0.21 0.00 0.00 175.17 177.43 1pqn n ILE 63 N 5.48 4.13 0.00 0.77 5.41 -0.74 -2.60 119.36 131.81 1pqn n ILE 63 Ca 0.02 -2.79 0.00 0.00 1.00 0.00 0.00 62.75 60.98 1pqn n ILE 63 Cb 0.48 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 1pqn n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1pqn n THR 64 N 2.60 0.00 -0.01 1.39 -1.04 -1.26 -4.83 114.28 111.12 1pqn n THR 64 Ca 0.64 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.54 1pqn n THR 64 Cb 0.42 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.79 1pqn n THR 64 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pqn n GLU 65 N -2.22 0.65 -0.03 -2.82 2.13 -1.24 -4.33 120.64 112.77 1pqn n GLU 65 Ca 0.00 0.30 -0.14 0.00 0.66 0.00 0.00 57.16 57.98 1pqn n GLU 65 Cb 0.00 -1.78 -0.11 0.00 0.27 0.00 0.00 31.44 29.82 1pqn n GLU 65 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1pqn h VAL 66 N 0.01 1.53 -3.30 6.31 2.07 -1.45 -3.45 116.25 117.96 1pqn h VAL 66 Ca -0.31 -1.67 -0.53 0.00 0.82 0.00 0.00 66.70 65.01 1pqn h VAL 66 Cb 2.02 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 34.38 1pqn h VAL 66 CO 0.08 0.45 0.49 -2.16 0.02 0.00 0.00 177.57 176.45 1pqn s PRO 67 N -3.46 4.49 0.18 1.57 0.04 -1.26 -4.54 135.00 132.03 1pqn s PRO 67 Ca -0.16 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.59 1pqn s PRO 67 Cb 0.01 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1pqn s PRO 67 CO 0.70 -0.15 1.42 0.22 0.04 0.00 0.00 177.00 179.23 1pqn h ASP 68 N 6.59 0.10 -2.52 6.66 1.82 -1.88 -3.37 116.42 123.82 1pqn h ASP 68 Ca -0.42 -0.08 -0.60 0.00 -0.39 0.00 0.00 57.03 55.54 1pqn h ASP 68 Cb 1.22 -0.03 -0.41 0.00 0.68 0.00 0.00 39.33 40.78 1pqn h ASP 68 CO 0.78 0.88 -0.70 2.22 -1.61 0.00 0.00 179.24 180.82 1pqn n PHE 69 N -3.61 2.43 -0.05 0.28 -1.74 -1.26 -4.85 117.46 108.66 1pqn n PHE 69 Ca -0.02 -4.03 -0.06 0.00 -0.56 0.00 0.00 57.45 52.78 1pqn n PHE 69 Cb 0.79 -0.45 -0.14 0.00 1.52 0.00 0.00 39.48 41.19 1pqn n PHE 69 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1pqn n ASN 70 N 1.57 0.36 0.22 5.98 0.23 -1.26 -4.17 115.26 118.19 1pqn n ASN 70 Ca 0.25 0.17 0.18 0.00 -0.53 0.00 0.00 54.58 54.65 1pqn n ASN 70 Cb 0.41 0.68 0.85 0.00 -2.08 0.00 0.00 39.78 39.64 1pqn n ASN 70 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1pqn h LYS 71 N 0.00 0.00 0.00 -3.83 1.57 -1.93 -2.48 116.57 109.90 1pqn h LYS 71 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1pqn h LYS 71 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1pqn h LYS 71 CO 0.04 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.59 1pqn n MET 72 N -3.52 0.00 -0.85 3.15 2.81 -1.26 -4.79 117.12 112.66 1pqn n MET 72 Ca 0.02 0.06 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1pqn n MET 72 Cb 0.38 -1.02 -0.03 0.00 -0.71 0.00 0.00 33.22 31.84 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 -0.60 0.00 0.01 2.03 9.36 -1.20 -5.01 117.16 121.75 1pqn n TYR 73 Ca 0.00 -0.30 -0.02 0.00 3.32 0.00 0.00 57.90 60.90 1pqn n TYR 73 Cb 0.00 0.31 -0.01 0.00 -0.63 0.00 0.00 39.34 39.01 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 0.10 -0.10 -7.20 2.98 3.07 -1.71 -3.42 114.58 108.29 1pqn h GLU 74 Ca -0.31 0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.03 1pqn h GLU 74 Cb 1.32 0.02 0.17 0.00 -0.84 0.00 0.00 28.75 29.43 1pqn h GLU 74 CO -0.13 -0.07 0.35 -0.48 -1.40 0.00 0.00 179.01 177.28 1pqn s LEU 75 N -5.74 3.17 0.02 1.33 2.34 -1.26 -4.85 118.68 113.68 1pqn s LEU 75 Ca -0.02 2.34 0.00 0.00 0.06 0.00 0.00 54.13 56.51 1pqn s LEU 75 Cb 0.01 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.05 1pqn s LEU 75 CO 0.09 -2.57 0.00 0.00 -1.06 0.00 0.00 176.35 172.81 1pqn n TYR 76 N -3.20 -0.86 -2.87 3.48 9.36 -1.26 -5.14 117.16 116.66 1pqn n TYR 76 Ca 0.13 0.05 -0.26 0.00 3.32 0.00 0.00 57.90 61.15 1pqn n TYR 76 Cb 0.51 0.27 0.00 0.00 -0.63 0.00 0.00 39.34 39.49 1pqn n TYR 76 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1pqn s ASP 77 N -1.18 6.15 0.15 2.98 1.11 -1.26 -5.01 116.67 119.60 1pqn s ASP 77 Ca 0.00 0.69 -0.22 0.00 0.18 0.00 0.00 52.55 53.20 1pqn s ASP 77 Cb 0.00 -2.04 0.03 0.00 1.07 0.00 0.00 42.92 41.98 1pqn s ASP 77 CO 0.00 -0.56 1.64 -0.65 1.18 0.00 0.00 175.17 176.78 1pqn h PRO 78 N 0.36 -0.20 -1.96 8.23 0.11 -1.99 -3.47 132.00 133.08 1pqn h PRO 78 Ca -0.47 0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.00 1pqn h PRO 78 Cb 1.22 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 1pqn h PRO 78 CO 0.61 -0.13 0.90 0.00 -0.21 0.00 0.00 178.00 179.17 1pqn s THR 80 N -2.09 0.00 0.30 0.00 -1.32 -1.19 -3.87 115.64 107.48 1pqn s THR 80 Ca 0.26 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.81 1pqn s THR 80 Cb 0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1pqn s THR 80 CO -0.02 0.00 0.33 0.54 -2.21 0.00 0.00 174.62 173.27 1pqn s VAL 81 N -0.98 4.16 0.01 5.08 0.11 -1.22 -1.79 120.40 125.78 1pqn s VAL 81 Ca 0.06 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 57.82 1pqn s VAL 81 Cb -0.01 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1pqn s VAL 81 CO -0.05 -0.23 0.14 -0.04 -3.33 0.00 0.00 175.10 171.59 1pqn s MET 82 N -4.01 0.52 -0.01 1.54 -1.94 0.13 -4.79 119.30 110.74 1pqn s MET 82 Ca 0.39 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 53.97 1pqn s MET 82 Cb -0.08 0.21 -0.01 0.00 2.01 0.00 0.00 34.83 36.96 1pqn s MET 82 CO 0.28 -0.13 -0.17 -0.06 -0.01 0.00 0.00 175.02 174.93 1pqn s PHE 83 N -1.60 1.50 0.04 -0.03 0.40 -1.02 0.21 117.98 117.49 1pqn s PHE 83 Ca -0.13 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 1pqn s PHE 83 Cb -0.06 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1pqn s PHE 83 CO 0.01 -0.02 -0.17 -0.06 0.70 0.00 0.00 175.22 175.67 1pqn s PHE 84 N -0.41 1.52 -0.11 0.36 0.40 0.14 -1.77 117.98 118.10 1pqn s PHE 84 Ca 0.06 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 1pqn s PHE 84 Cb -0.07 -0.90 0.04 0.00 0.51 0.00 0.00 43.02 42.60 1pqn s PHE 84 CO -0.01 0.07 0.40 0.12 0.70 0.00 0.00 175.22 176.50 1pqn s PHE 85 N -0.84 -0.39 -1.53 0.36 5.36 -1.07 -1.62 117.98 118.24 1pqn s PHE 85 Ca 0.04 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 56.76 1pqn s PHE 85 Cb -0.08 0.15 0.11 0.00 -0.34 0.00 0.00 43.02 42.86 1pqn s PHE 85 CO 0.02 -0.28 0.78 -2.13 -1.46 0.00 0.00 175.22 172.15 1pqn n ARG 86 N 2.36 -4.09 -2.58 10.12 0.00 -1.26 0.23 116.66 121.44 1pqn n ARG 86 Ca -0.16 0.49 -0.21 0.00 -0.00 0.00 0.00 57.85 57.97 1pqn n ARG 86 Cb 0.57 -5.28 0.00 0.00 0.00 0.00 0.00 32.46 27.76 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 -2.61 -6.03 -3.41 6.15 2.85 -1.26 -4.97 115.26 105.98 1pqn n ASN 87 Ca 0.04 -0.10 -0.20 0.00 -0.11 0.00 0.00 54.58 54.21 1pqn n ASN 87 Cb 0.52 -4.97 -0.06 0.00 1.24 0.00 0.00 39.78 36.51 1pqn n ASN 87 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1pqn n LYS 88 N -3.32 0.69 -3.95 1.20 5.02 0.14 -5.16 118.16 112.78 1pqn n LYS 88 Ca -0.21 -2.71 -0.27 0.00 -2.02 0.00 0.00 58.31 53.10 1pqn n LYS 88 Cb 0.67 1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 37.06 1pqn n LYS 88 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pqn s HIS 89 N -2.72 3.47 -0.29 2.13 3.76 -1.26 -2.61 115.29 117.77 1pqn s HIS 89 Ca 0.15 0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.96 1pqn s HIS 89 Cb 0.01 -1.67 0.14 0.00 1.11 0.00 0.00 32.58 32.16 1pqn s HIS 89 CO 0.10 0.53 1.08 -1.50 -0.85 0.00 0.00 174.74 174.10 1pqn s ILE 90 N -1.70 0.00 -0.19 0.60 2.07 -0.73 -4.79 121.20 116.46 1pqn s ILE 90 Ca 0.34 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.44 1pqn s ILE 90 Cb -0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 1pqn s ILE 90 CO 0.28 0.00 0.31 -0.04 -1.91 0.00 0.00 174.94 173.58 1pqn s MET 91 N 0.46 4.20 -0.15 3.50 -1.94 -1.26 -2.44 119.30 121.67 1pqn s MET 91 Ca 0.01 0.08 -0.11 0.00 -1.71 0.00 0.00 55.69 53.96 1pqn s MET 91 Cb -0.05 -3.49 0.04 0.00 2.01 0.00 0.00 34.83 33.35 1pqn s MET 91 CO -0.09 0.10 0.37 0.42 -0.01 0.00 0.00 175.02 175.81 1pqn s ILE 92 N 0.88 -0.01 0.12 2.53 1.01 -1.26 -4.97 121.20 119.50 1pqn s ILE 92 Ca 0.16 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 1pqn s ILE 92 Cb -0.14 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 1pqn s ILE 92 CO 0.05 0.02 0.46 1.51 0.00 0.00 0.00 174.94 176.98 1pqn s ASP 93 N 0.72 6.67 -0.13 3.58 -4.77 -1.26 -4.70 116.67 116.78 1pqn s ASP 93 Ca -0.04 0.87 0.13 0.00 -3.30 0.00 0.00 52.55 50.20 1pqn s ASP 93 Cb -0.05 -2.21 -0.18 0.00 -1.09 0.00 0.00 42.92 39.39 1pqn s ASP 93 CO -0.05 0.11 0.07 0.00 0.70 0.00 0.00 175.17 176.00 1pqn n LEU 94 N 0.67 0.00 0.00 2.11 -0.00 -1.26 -4.86 117.00 113.65 1pqn n LEU 94 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1pqn n LEU 94 Cb 0.52 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.27 1pqn n LEU 94 CO 0.43 0.32 0.00 0.61 -0.00 0.00 0.00 177.39 178.76 1pqn n GLY 95 N 2.09 1.30 0.81 1.47 0.00 -1.26 -1.31 105.19 108.29 1pqn n GLY 95 Ca -0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pqn n THR 96 N 0.00 0.00 -3.83 2.61 -2.24 -0.91 -4.88 114.28 105.03 1pqn n THR 96 Ca 0.00 -0.58 0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1pqn n THR 96 Cb 0.00 0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1pqn n THR 96 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pqn s GLY 97 N -1.60 -0.20 0.00 3.38 0.00 -1.26 -4.53 107.32 103.11 1pqn s GLY 97 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1pqn s GLY 97 CO 0.04 2.92 0.00 0.70 0.00 0.00 0.00 173.10 176.76 1pqn n ASN 98 N -0.86 0.00 -0.13 1.64 3.02 -1.26 -4.88 115.26 112.80 1pqn n ASN 98 Ca -0.02 0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.39 1pqn n ASN 98 Cb 0.60 -0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 1pqn n ASN 98 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1pqn n ASN 99 N -1.71 1.97 0.06 6.41 0.23 -1.26 -5.03 115.26 115.92 1pqn n ASN 99 Ca 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1pqn n ASN 99 Cb 0.00 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 1pqn n ASN 99 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1pqn n ASN 100 N -3.94 -0.99 -4.53 0.53 5.15 -1.26 -5.13 115.26 105.09 1pqn n ASN 100 Ca -0.50 0.21 -0.41 0.00 -0.60 0.00 0.00 54.58 53.29 1pqn n ASN 100 Cb 0.91 1.29 0.02 0.00 -0.53 0.00 0.00 39.78 41.47 1pqn n ASN 100 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pqn n LYS 101 N -2.71 0.87 -2.47 1.20 4.81 -1.26 -4.83 118.16 113.77 1pqn n LYS 101 Ca 0.00 0.32 -0.43 0.00 -0.87 0.00 0.00 58.31 57.33 1pqn n LYS 101 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1pqn n ILE 102 N -0.95 4.38 -0.02 3.15 -0.00 -1.26 -4.20 119.36 120.47 1pqn n ILE 102 Ca 0.11 -4.53 -0.16 0.00 -0.00 0.00 0.00 62.75 58.18 1pqn n ILE 102 Cb 0.41 -2.36 -0.14 0.00 -0.00 0.00 0.00 39.64 37.55 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 4.02 1.52 -3.98 4.38 6.94 -1.25 -3.38 115.26 123.51 1pqn n ASN 103 Ca 0.39 0.27 -0.39 0.00 -0.02 0.00 0.00 54.58 54.82 1pqn n ASN 103 Cb 0.37 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 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 -3.26 3.44 -1.68 -2.53 7.02 -1.26 -4.47 117.44 114.70 1pqn n TRP 104 Ca -0.27 -3.41 -0.43 0.00 -1.02 0.00 0.00 57.50 52.37 1pqn n TRP 104 Cb 1.05 -1.18 -0.01 0.00 -2.42 0.00 0.00 31.31 28.75 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 1.67 1.00 -3.57 6.99 0.00 -1.26 -4.28 120.51 121.05 1pqn n ALA 105 Ca 0.25 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 54.01 1pqn n ALA 105 Cb 0.36 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.71 0.56 0.00 0.00 0.00 -1.26 -4.90 119.30 112.00 1pqn s MET 106 Ca 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 55.69 56.03 1pqn s MET 106 Cb -0.60 0.25 0.00 0.00 0.00 0.00 0.00 34.83 34.48 1pqn s MET 106 CO 0.61 -0.25 0.00 -1.91 0.00 0.00 0.00 175.02 173.47 1pqn n GLU 107 N -0.21 -0.89 -0.83 4.11 4.07 -1.26 -2.13 120.64 123.50 1pqn n GLU 107 Ca -0.04 0.22 -0.33 0.00 -0.06 0.00 0.00 57.16 56.95 1pqn n GLU 107 Cb 0.60 -3.91 0.11 0.00 -0.06 0.00 0.00 31.44 28.18 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1pqn n ASP 108 N -0.45 -2.42 0.00 4.31 8.00 -1.26 -2.61 116.55 122.13 1pqn n ASP 108 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1pqn n ASP 108 Cb 0.22 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1pqn n ASP 108 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pqn n LYS 109 N -1.29 0.00 -0.04 -1.24 4.81 -1.26 -4.62 118.16 114.52 1pqn n LYS 109 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1pqn n LYS 109 Cb 0.54 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.58 1pqn n LYS 109 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pqn n GLN 110 N 0.00 0.25 0.03 1.64 6.02 -1.13 -3.66 117.38 120.54 1pqn n GLN 110 Ca 0.00 0.40 0.01 0.00 -0.01 0.00 0.00 57.00 57.40 1pqn n GLN 110 Cb 0.00 -1.27 0.33 0.00 1.02 0.00 0.00 30.24 30.32 1pqn n GLN 110 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1pqn h GLU 111 N -0.56 0.44 0.12 -1.09 4.81 -1.74 -2.79 114.58 113.78 1pqn h GLU 111 Ca 0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1pqn h GLU 111 Cb 0.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1pqn h GLU 111 CO 0.00 0.49 -0.06 0.52 -0.73 0.00 0.00 179.01 179.23 1pqn h MET 112 N 0.43 -0.16 -0.91 1.92 2.86 -1.41 0.39 114.93 118.05 1pqn h MET 112 Ca 0.09 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1pqn h MET 112 Cb 0.32 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1pqn h MET 112 CO 0.01 -0.09 0.56 0.28 1.06 0.00 0.00 176.91 178.74 1pqn h VAL 113 N -0.19 1.02 0.00 -2.22 2.07 -1.58 0.18 116.25 115.53 1pqn h VAL 113 Ca -0.02 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1pqn h VAL 113 Cb 0.15 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1pqn h VAL 113 CO 0.03 0.18 -0.58 0.44 0.02 0.00 0.00 177.57 177.66 1pqn h ASP 114 N 1.00 0.00 0.36 0.57 5.19 -1.22 -2.83 116.42 119.48 1pqn h ASP 114 Ca 0.41 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1pqn h ASP 114 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1pqn h ASP 114 CO -0.19 0.58 -0.17 0.40 -3.12 0.00 0.00 179.24 176.73 1pqn h ILE 115 N 0.00 0.00 -0.76 0.35 1.08 0.12 -2.83 117.51 115.47 1pqn h ILE 115 Ca -0.01 -0.62 0.21 0.00 -0.39 0.00 0.00 64.86 64.05 1pqn h ILE 115 Cb 1.16 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1pqn h ILE 115 CO 0.08 0.00 0.54 0.40 -0.69 0.00 0.00 178.15 178.47 1pqn h ILE 116 N -1.10 0.65 -0.14 -0.67 2.04 -0.82 0.22 117.51 117.69 1pqn h ILE 116 Ca -0.05 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pqn h ILE 116 Cb 0.37 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1pqn h ILE 116 CO 0.08 0.02 -0.03 -0.08 0.00 0.00 0.00 178.15 178.14 1pqn h GLU 117 N 0.09 0.27 0.00 2.37 4.57 -1.54 -1.72 114.58 118.62 1pqn h GLU 117 Ca 0.37 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1pqn h GLU 117 Cb 1.34 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1pqn h GLU 117 CO -0.04 0.55 -0.50 1.15 -1.18 0.00 0.00 179.01 179.00 1pqn h THR 118 N -0.04 1.14 -0.30 0.32 2.02 -0.83 -2.82 112.91 112.40 1pqn h THR 118 Ca 0.04 -1.84 -0.11 0.00 0.77 0.00 0.00 66.41 65.27 1pqn h THR 118 Cb 0.45 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1pqn h THR 118 CO 0.01 0.49 -0.24 0.58 0.37 0.00 0.00 175.52 176.73 1pqn h VAL 119 N 0.00 1.30 -0.31 3.16 2.07 -0.55 0.14 116.25 122.07 1pqn h VAL 119 Ca -0.00 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.02 1pqn h VAL 119 Cb 1.01 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1pqn h VAL 119 CO 0.06 0.45 -0.28 0.10 0.02 0.00 0.00 177.57 177.92 1pqn h TYR 120 N 0.45 0.71 0.02 1.57 -0.00 -1.29 0.74 116.97 119.17 1pqn h TYR 120 Ca 0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 58.73 58.41 1pqn h TYR 120 Cb 0.80 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.35 1pqn h TYR 120 CO 0.07 0.83 -0.95 0.00 -0.00 0.00 0.00 178.16 178.10 1pqn h ARG 121 N 0.54 0.19 0.16 0.10 2.47 -1.45 -3.31 114.38 113.08 1pqn h ARG 121 Ca 0.07 -0.24 -0.30 0.00 -1.26 0.00 0.00 59.98 58.26 1pqn h ARG 121 Cb 0.75 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1pqn h ARG 121 CO 0.06 1.01 -1.46 0.78 0.56 0.00 0.00 179.97 180.91 1pqn h GLY 122 N 1.93 0.39 -4.72 0.04 0.00 -0.56 -3.36 103.07 96.79 1pqn h GLY 122 Ca -0.06 -0.98 -0.53 0.00 0.00 0.00 0.00 47.33 45.76 1pqn h GLY 122 CO 0.15 0.86 0.74 0.00 0.00 0.00 0.00 176.54 178.29 1pqn n ALA 123 N -2.87 6.52 -2.48 3.60 0.00 0.26 -4.95 120.51 120.59 1pqn n ALA 123 Ca -0.23 -3.19 -0.23 0.00 0.00 0.00 0.00 53.44 49.79 1pqn n ALA 123 Cb 0.97 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 1pqn n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pqn s ARG 124 N -1.50 3.25 -0.24 0.00 0.52 -1.24 -4.43 118.95 115.31 1pqn s ARG 124 Ca 0.58 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 55.37 1pqn s ARG 124 Cb 0.34 -2.63 -0.18 0.00 0.52 0.00 0.00 34.95 33.01 1pqn s ARG 124 CO -0.19 -0.06 -0.16 1.17 0.02 0.00 0.00 175.30 176.08 1pqn n LYS 125 N -1.91 0.67 0.00 3.54 3.00 -1.26 -5.05 118.16 117.15 1pqn n LYS 125 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1pqn n LYS 125 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.10 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 2.21 4.32 0.95 3.14 0.00 -1.26 -5.14 105.19 109.41 1pqn n GLY 126 Ca -0.41 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1pqn n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqn n ARG 127 N 0.00 0.00 0.00 1.61 1.74 -1.26 -5.19 116.66 113.56 1pqn n ARG 127 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pqn n ARG 127 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1pqn n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52