#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxd s LEU 2 N 0.00 4.37 0.87 7.52 1.02 -1.26 -5.06 118.68 126.14 1qxd s LEU 2 Ca 0.00 1.07 -0.12 0.00 0.02 0.00 0.00 54.13 55.10 1qxd s LEU 2 Cb 0.00 -2.88 0.12 0.00 0.02 0.00 0.00 46.19 43.44 1qxd s LEU 2 CO 0.00 0.05 1.13 -0.94 0.02 0.00 0.00 176.35 176.61 1qxd s SER 3 N 0.15 3.85 0.39 2.29 1.04 -1.26 -4.89 113.70 115.26 1qxd s SER 3 Ca 0.31 1.04 0.17 0.00 0.48 0.00 0.00 55.95 57.95 1qxd s SER 3 Cb -0.17 -1.65 0.78 0.00 0.10 0.00 0.00 66.02 65.08 1qxd s SER 3 CO 0.16 -2.35 1.80 -0.65 0.98 0.00 0.00 173.24 173.18 1qxd h PRO 4 N -1.35 0.00 -0.65 4.02 0.11 -2.00 -2.44 132.00 129.68 1qxd h PRO 4 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1qxd h PRO 4 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1qxd h PRO 4 CO 0.62 0.36 0.19 0.00 -0.21 0.00 0.00 178.00 178.96 1qxd h ALA 5 N 1.64 0.86 0.25 -0.75 0.00 -1.99 -2.30 119.26 116.97 1qxd h ALA 5 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qxd h ALA 5 Cb 0.75 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qxd h ALA 5 CO 0.05 0.54 -0.13 -0.44 0.00 0.00 0.00 179.25 179.27 1qxd h ASP 6 N 0.95 -0.32 -1.01 0.00 3.32 -1.80 0.80 116.42 118.36 1qxd h ASP 6 Ca 0.21 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.39 1qxd h ASP 6 Cb 0.32 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.87 1qxd h ASP 6 CO -0.00 -0.22 0.64 0.11 -1.72 0.00 0.00 179.24 178.04 1qxd h LYS 7 N -0.36 0.98 0.64 3.56 1.57 -1.41 0.32 116.57 121.88 1qxd h LYS 7 Ca -0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1qxd h LYS 7 Cb 0.28 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1qxd h LYS 7 CO 0.04 0.65 -0.31 1.15 -0.57 0.00 0.00 179.45 180.42 1qxd h THR 8 N 1.01 0.00 -0.52 -0.16 2.02 -0.93 -1.49 112.91 112.84 1qxd h THR 8 Ca 0.49 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.78 1qxd h THR 8 Cb 0.46 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.77 1qxd h THR 8 CO -0.26 0.00 -0.16 0.78 0.37 0.00 0.00 175.52 176.25 1qxd h ASN 9 N -0.86 -0.59 -0.51 4.18 -0.26 -0.29 0.13 115.58 117.38 1qxd h ASN 9 Ca -0.09 0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1qxd h ASN 9 Cb 0.66 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 38.25 1qxd h ASN 9 CO 0.14 -0.20 0.34 0.58 -1.06 0.00 0.00 177.43 177.23 1qxd h VAL 10 N -0.04 1.12 -0.43 2.81 2.07 -0.39 -0.54 116.25 120.85 1qxd h VAL 10 Ca 0.25 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 1qxd h VAL 10 Cb 0.42 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1qxd h VAL 10 CO -0.56 0.12 -0.23 0.11 0.02 0.00 0.00 177.57 177.03 1qxd h LYS 11 N 0.68 0.91 0.29 1.57 1.57 -0.56 0.28 116.57 121.31 1qxd h LYS 11 Ca 0.19 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1qxd h LYS 11 Cb -0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1qxd h LYS 11 CO -0.05 1.07 -0.43 0.00 -0.57 0.00 0.00 179.45 179.47 1qxd h ALA 12 N 0.82 -0.86 0.71 3.86 0.00 -0.38 -0.69 119.26 122.72 1qxd h ALA 12 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qxd h ALA 12 Cb 0.81 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1qxd h ALA 12 CO 0.07 -1.04 -0.40 0.00 0.00 0.00 0.00 179.25 177.88 1qxd h ALA 13 N -0.40 -1.24 -0.61 0.00 0.00 -0.98 -3.03 119.26 112.99 1qxd h ALA 13 Ca -0.01 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1qxd h ALA 13 Cb 0.73 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1qxd h ALA 13 CO -0.14 -1.19 0.41 2.35 0.00 0.00 0.00 179.25 180.68 1qxd h TRP 14 N -1.04 0.46 0.00 0.00 2.91 -0.48 0.78 115.95 118.59 1qxd h TRP 14 Ca -0.10 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.90 1qxd h TRP 14 Cb 0.82 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 1qxd h TRP 14 CO -0.03 0.22 -0.17 0.78 -1.03 0.00 0.00 178.44 178.21 1qxd h GLY 15 N 0.44 0.00 2.00 2.65 0.00 -1.05 0.39 103.07 107.49 1qxd h GLY 15 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1qxd h GLY 15 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 1qxd n LYS 16 N -4.12 0.05 0.06 4.80 5.02 0.26 -2.71 118.16 121.52 1qxd n LYS 16 Ca -0.02 0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1qxd n LYS 16 Cb 0.24 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1qxd n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qxd h VAL 17 N 0.00 1.34 0.00 -0.18 2.07 -0.85 -3.47 116.25 115.16 1qxd h VAL 17 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1qxd h VAL 17 Cb 0.44 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1qxd h VAL 17 CO 0.00 0.72 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1qxd n GLY 18 N 1.06 1.91 0.24 2.17 0.00 -1.10 0.47 105.19 109.94 1qxd n GLY 18 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1qxd n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxd h ALA 19 N 0.00 1.25 0.00 4.61 0.00 -1.91 -0.57 119.26 122.64 1qxd h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qxd h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1qxd h ALA 19 CO 0.00 -0.25 0.00 0.45 0.00 0.00 0.00 179.25 179.45 1qxd h HIS 20 N 0.00 0.00 -0.97 0.00 -0.00 -0.33 -3.39 115.15 110.46 1qxd h HIS 20 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 1qxd h HIS 20 Cb 0.60 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.88 1qxd h HIS 20 CO 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 177.93 177.42 1qxd n ALA 21 N -2.07 -0.46 -0.25 2.45 0.00 -0.22 -0.58 120.51 119.38 1qxd n ALA 21 Ca 0.03 0.87 0.09 0.00 0.00 0.00 0.00 53.44 54.44 1qxd n ALA 21 Cb 0.45 -0.23 0.35 0.00 0.00 0.00 0.00 19.45 20.02 1qxd n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qxd h GLY 22 N 0.00 1.15 0.80 0.00 0.00 -1.81 0.25 103.07 103.46 1qxd h GLY 22 Ca 0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1qxd h GLY 22 CO -0.93 0.15 -0.19 -2.09 0.00 0.00 0.00 176.54 173.48 1qxd h GLU 23 N 0.75 0.44 -0.30 4.80 4.81 -1.12 -2.34 114.58 121.63 1qxd h GLU 23 Ca 0.41 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1qxd h GLU 23 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1qxd h GLU 23 CO -0.17 0.81 -0.25 1.88 -0.73 0.00 0.00 179.01 180.55 1qxd h TYR 24 N 0.09 0.68 -0.37 0.92 0.05 -0.17 -0.46 116.97 117.71 1qxd h TYR 24 Ca 0.03 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 1qxd h TYR 24 Cb 0.74 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1qxd h TYR 24 CO 0.08 0.80 -0.08 0.78 -1.05 0.00 0.00 178.16 178.69 1qxd h GLY 25 N 1.01 0.68 0.81 3.88 0.00 -0.55 0.29 103.07 109.19 1qxd h GLY 25 Ca 0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1qxd h GLY 25 CO 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 176.54 176.99 1qxd h ALA 26 N 1.33 0.28 -0.80 3.60 0.00 -0.83 -2.06 119.26 120.78 1qxd h ALA 26 Ca 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1qxd h ALA 26 Cb 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1qxd h ALA 26 CO 0.03 0.05 0.34 1.49 0.00 0.00 0.00 179.25 181.15 1qxd h GLU 27 N 0.12 1.18 -0.39 0.00 4.81 -0.86 0.88 114.58 120.32 1qxd h GLU 27 Ca 0.05 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1qxd h GLU 27 Cb 0.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1qxd h GLU 27 CO 0.02 0.94 0.24 0.00 -0.73 0.00 0.00 179.01 179.48 1qxd h ALA 28 N 1.18 0.49 0.44 2.92 0.00 -0.80 0.38 119.26 123.87 1qxd h ALA 28 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1qxd h ALA 28 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qxd h ALA 28 CO -0.03 -0.08 -0.31 -0.07 0.00 0.00 0.00 179.25 178.76 1qxd h LEU 29 N 0.49 -0.79 -0.28 0.00 3.38 -0.86 0.15 115.31 117.41 1qxd h LEU 29 Ca 0.15 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1qxd h LEU 29 Cb -0.02 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1qxd h LEU 29 CO -0.05 -0.47 0.00 -0.08 0.09 0.00 0.00 178.44 177.93 1qxd h GLU 30 N -0.73 0.08 -0.91 1.13 4.81 -0.53 0.18 114.58 118.61 1qxd h GLU 30 Ca -0.04 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1qxd h GLU 30 Cb 0.62 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 1qxd h GLU 30 CO 0.02 0.05 0.50 0.00 -0.73 0.00 0.00 179.01 178.85 1qxd h ARG 31 N 0.09 0.65 0.37 1.92 3.08 0.21 -0.05 114.38 120.65 1qxd h ARG 31 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1qxd h ARG 31 Cb 0.17 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1qxd h ARG 31 CO -0.22 0.43 -0.18 1.98 -1.07 0.00 0.00 179.97 180.91 1qxd h MET 32 N 0.67 -0.48 -0.74 0.04 4.05 0.17 0.71 114.93 119.35 1qxd h MET 32 Ca 0.51 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 60.02 1qxd h MET 32 Cb 0.75 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.61 1qxd h MET 32 CO -0.38 -0.21 0.49 0.74 0.23 0.00 0.00 176.91 177.78 1qxd h PHE 33 N -0.70 0.79 -0.03 1.39 0.04 -0.08 0.71 116.94 119.06 1qxd h PHE 33 Ca -0.05 0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.50 1qxd h PHE 33 Cb 0.49 -0.26 0.02 0.00 2.20 0.00 0.00 35.95 38.40 1qxd h PHE 33 CO -0.00 0.42 -0.91 -0.07 -0.60 0.00 0.00 178.31 177.14 1qxd h LEU 34 N 0.78 0.86 0.04 1.54 3.38 -0.91 -3.17 115.31 117.84 1qxd h LEU 34 Ca 0.32 -0.72 -0.26 0.00 0.09 0.00 0.00 57.88 57.31 1qxd h LEU 34 Cb 0.24 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1qxd h LEU 34 CO -0.11 1.46 -1.17 0.28 0.09 0.00 0.00 178.44 179.00 1qxd h SER 35 N 0.34 0.50 -2.61 -0.43 0.02 -0.41 -3.39 113.55 107.57 1qxd h SER 35 Ca -0.10 -0.49 -0.60 0.00 -0.84 0.00 0.00 61.79 59.75 1qxd h SER 35 Cb 1.57 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.55 1qxd h SER 35 CO 0.18 1.35 -0.80 0.49 -1.14 0.00 0.00 176.83 176.90 1qxd n PHE 36 N -3.62 1.03 -0.41 3.45 3.72 0.24 -4.99 117.46 116.89 1qxd n PHE 36 Ca -0.09 -3.77 0.35 0.00 -0.05 0.00 0.00 57.45 53.89 1qxd n PHE 36 Cb 0.97 -0.18 0.62 0.00 -0.94 0.00 0.00 39.48 39.95 1qxd n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1qxd h PRO 37 N 5.33 0.08 0.00 -1.08 0.11 -1.73 -0.36 132.00 134.36 1qxd h PRO 37 Ca 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1qxd h PRO 37 Cb 0.83 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1qxd h PRO 37 CO 0.54 0.06 -0.04 1.79 -0.21 0.00 0.00 178.00 180.13 1qxd h THR 38 N 0.09 1.01 0.00 -1.15 1.35 -1.92 0.07 112.91 112.36 1qxd h THR 38 Ca 0.82 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.54 1qxd h THR 38 Cb 2.42 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1qxd h THR 38 CO -0.53 0.04 0.13 0.71 -0.25 0.00 0.00 175.52 175.62 1qxd h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.39 -0.17 112.91 119.52 1qxd h THR 39 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1qxd h THR 39 Cb 0.08 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1qxd h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1qxd h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.15 -2.69 116.57 119.01 1qxd h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qxd h LYS 40 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1qxd h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1qxd h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.22 -0.19 112.91 112.68 1qxd h THR 41 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1qxd h THR 41 Cb 0.46 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1qxd h THR 41 CO 0.00 0.00 -0.20 -1.22 -0.25 0.00 0.00 175.52 173.85 1qxd n TYR 42 N -2.39 0.00 -2.92 4.73 4.01 -1.01 -4.15 117.16 115.43 1qxd n TYR 42 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1qxd n TYR 42 Cb 0.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1qxd n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1qxd n PHE 43 N -0.48 1.23 -0.04 -0.72 3.01 -0.09 -4.96 117.46 115.41 1qxd n PHE 43 Ca 0.14 -3.42 -0.11 0.00 1.01 0.00 0.00 57.45 55.06 1qxd n PHE 43 Cb 0.35 -0.39 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 1qxd n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1qxd h PRO 44 N 2.96 0.25 0.00 -1.08 0.13 -1.70 -2.63 132.00 129.93 1qxd h PRO 44 Ca 0.05 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.12 1qxd h PRO 44 Cb 0.99 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1qxd h PRO 44 CO 0.57 0.30 -0.12 1.12 -0.23 0.00 0.00 178.00 179.63 1qxd h HIS 45 N 0.14 0.00 -3.67 1.56 2.07 -1.92 -3.45 115.15 109.87 1qxd h HIS 45 Ca 0.06 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.04 1qxd h HIS 45 Cb 0.14 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.21 1qxd h HIS 45 CO -0.02 0.12 0.82 -0.06 -3.07 0.00 0.00 177.93 175.72 1qxd s PHE 46 N -3.65 2.68 -0.58 6.12 0.40 -0.99 -4.95 117.98 117.00 1qxd s PHE 46 Ca 0.01 1.01 -0.25 0.00 -0.60 0.00 0.00 56.93 57.10 1qxd s PHE 46 Cb 0.10 -4.03 0.04 0.00 0.51 0.00 0.00 43.02 39.64 1qxd s PHE 46 CO 0.60 -3.20 1.04 0.34 0.70 0.00 0.00 175.22 174.69 1qxd s ASP 47 N 0.13 6.34 -0.35 1.36 2.15 -1.26 -4.89 116.67 120.15 1qxd s ASP 47 Ca 0.57 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 53.35 1qxd s ASP 47 Cb -0.47 -2.48 0.66 0.00 -0.30 0.00 0.00 42.92 40.34 1qxd s ASP 47 CO 0.56 -1.36 1.75 0.18 -0.17 0.00 0.00 175.17 176.13 1qxd n LEU 48 N 7.90 5.79 -4.70 -1.34 4.77 -1.26 -4.31 117.00 123.84 1qxd n LEU 48 Ca 0.03 -3.43 -0.33 0.00 -0.03 0.00 0.00 56.01 52.25 1qxd n LEU 48 Cb 0.48 -0.74 0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1qxd n LEU 48 CO 0.66 0.96 0.75 -0.94 -1.33 0.00 0.00 177.39 177.49 1qxd s SER 49 N -1.46 3.61 0.32 -1.43 1.04 -1.26 -4.83 113.70 109.69 1qxd s SER 49 Ca 0.53 2.29 0.08 0.00 0.48 0.00 0.00 55.95 59.33 1qxd s SER 49 Cb 0.44 -2.58 0.92 0.00 0.10 0.00 0.00 66.02 64.90 1qxd s SER 49 CO 0.10 -2.65 1.62 -0.74 0.98 0.00 0.00 173.24 172.55 1qxd h HIS 50 N -1.01 0.47 -0.11 5.02 2.76 -2.03 0.11 115.15 120.35 1qxd h HIS 50 Ca -0.46 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1qxd h HIS 50 Cb 1.29 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1qxd h HIS 50 CO 0.48 -0.31 0.00 0.41 -1.30 0.00 0.00 177.93 177.21 1qxd n GLY 51 N -1.36 1.06 0.70 5.26 0.00 -1.26 -5.01 105.19 104.57 1qxd n GLY 51 Ca 0.27 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1qxd n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qxd n SER 52 N 1.31 0.20 0.24 1.61 2.88 0.37 -4.75 113.62 115.48 1qxd n SER 52 Ca 0.14 0.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.01 1qxd n SER 52 Cb 0.57 -0.18 0.52 0.00 -0.75 0.00 0.00 64.21 64.38 1qxd n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qxd h ALA 53 N 1.33 1.01 -0.10 -1.46 0.00 -1.90 -1.36 119.26 116.78 1qxd h ALA 53 Ca -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1qxd h ALA 53 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qxd h ALA 53 CO 0.20 0.14 -0.11 0.37 0.00 0.00 0.00 179.25 179.86 1qxd h GLN 54 N 0.00 0.25 -0.43 0.00 4.15 -1.85 -0.04 115.11 117.19 1qxd h GLN 54 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1qxd h GLN 54 Cb 0.68 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1qxd h GLN 54 CO 0.02 0.68 0.28 0.28 -1.93 0.00 0.00 178.83 178.16 1qxd h VAL 55 N -0.16 1.11 -0.76 2.39 2.07 -1.62 0.25 116.25 119.53 1qxd h VAL 55 Ca 0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qxd h VAL 55 Cb 0.64 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1qxd h VAL 55 CO 0.03 0.11 0.35 0.11 0.02 0.00 0.00 177.57 178.19 1qxd h LYS 56 N 0.58 1.10 -0.38 1.57 1.57 -1.23 0.60 116.57 120.38 1qxd h LYS 56 Ca 0.16 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1qxd h LYS 56 Cb -0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1qxd h LYS 56 CO -0.03 0.85 -0.18 0.78 -0.57 0.00 0.00 179.45 180.30 1qxd h GLY 57 N 1.13 0.86 0.95 3.86 0.00 -0.26 -2.87 103.07 106.74 1qxd h GLY 57 Ca 0.26 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1qxd h GLY 57 CO -0.03 0.71 0.12 0.84 0.00 0.00 0.00 176.54 178.18 1qxd h HIS 58 N 0.59 0.74 0.00 5.60 -0.00 -0.08 -2.35 115.15 119.65 1qxd h HIS 58 Ca 0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1qxd h HIS 58 Cb 0.74 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1qxd h HIS 58 CO 0.06 0.67 -0.03 0.78 -0.00 0.00 0.00 177.93 179.41 1qxd h GLY 59 N 0.59 0.00 1.01 5.26 0.00 -0.87 -1.09 103.07 107.96 1qxd h GLY 59 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 1qxd h GLY 59 CO -0.00 0.00 -0.36 1.70 0.00 0.00 0.00 176.54 177.88 1qxd h LYS 60 N 0.00 0.74 -0.26 4.80 3.64 -1.19 0.50 116.57 124.79 1qxd h LYS 60 Ca -0.00 -0.42 -0.15 0.00 -1.27 0.00 0.00 60.65 58.81 1qxd h LYS 60 Cb 0.16 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1qxd h LYS 60 CO 0.00 1.04 -0.45 0.87 -2.27 0.00 0.00 179.45 178.65 1qxd h LYS 61 N 0.48 0.67 0.25 1.90 1.57 -1.13 -1.40 116.57 118.91 1qxd h LYS 61 Ca 0.03 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1qxd h LYS 61 Cb 0.95 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1qxd h LYS 61 CO 0.09 0.98 -0.12 0.28 -0.57 0.00 0.00 179.45 180.10 1qxd h VAL 62 N 0.54 0.81 -0.60 0.50 2.07 -1.13 -2.02 116.25 116.41 1qxd h VAL 62 Ca 0.03 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1qxd h VAL 62 Cb 0.99 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1qxd h VAL 62 CO 0.09 0.12 0.40 0.00 0.02 0.00 0.00 177.57 178.20 1qxd h ALA 63 N 0.03 1.72 -0.38 1.67 0.00 -0.89 -1.64 119.26 119.77 1qxd h ALA 63 Ca -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1qxd h ALA 63 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1qxd h ALA 63 CO 0.06 0.21 -0.33 -0.44 0.00 0.00 0.00 179.25 178.75 1qxd h ASP 64 N 0.67 0.89 -0.99 0.00 3.32 -1.15 -2.14 116.42 117.02 1qxd h ASP 64 Ca 0.25 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.96 1qxd h ASP 64 Cb 0.13 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1qxd h ASP 64 CO -0.07 1.14 0.65 0.00 -1.72 0.00 0.00 179.24 179.24 1qxd h ALA 65 N 0.91 1.31 -0.16 3.45 0.00 -0.56 0.27 119.26 124.49 1qxd h ALA 65 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1qxd h ALA 65 Cb 0.89 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qxd h ALA 65 CO 0.08 0.54 -0.27 -0.07 0.00 0.00 0.00 179.25 179.53 1qxd h LEU 66 N 1.25 0.29 -0.26 0.00 3.38 -1.09 0.49 115.31 119.37 1qxd h LEU 66 Ca 0.39 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 1qxd h LEU 66 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1qxd h LEU 66 CO -0.12 0.56 -0.16 0.74 0.09 0.00 0.00 178.44 179.54 1qxd h THR 67 N 0.26 1.30 -0.02 0.22 2.02 -0.47 0.15 112.91 116.37 1qxd h THR 67 Ca 0.04 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 1qxd h THR 67 Cb 0.62 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1qxd h THR 67 CO 0.04 0.40 -0.29 -1.13 0.37 0.00 0.00 175.52 174.92 1qxd h ASN 68 N 0.29 0.04 -0.41 4.18 -0.73 -0.58 -0.89 115.58 117.49 1qxd h ASN 68 Ca 0.05 -0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.08 1qxd h ASN 68 Cb 0.69 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1qxd h ASN 68 CO 0.05 0.33 -0.24 0.00 -0.37 0.00 0.00 177.43 177.20 1qxd h ALA 69 N 1.67 0.58 -0.34 1.57 0.00 0.56 -2.20 119.26 121.10 1qxd h ALA 69 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1qxd h ALA 69 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qxd h ALA 69 CO 0.04 0.58 0.02 0.28 0.00 0.00 0.00 179.25 180.16 1qxd h VAL 70 N 0.70 1.25 0.18 0.00 2.07 -0.17 -2.07 116.25 118.22 1qxd h VAL 70 Ca 0.09 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1qxd h VAL 70 Cb 0.81 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1qxd h VAL 70 CO 0.07 0.31 -0.30 0.00 0.02 0.00 0.00 177.57 177.66 1qxd h ALA 71 N 0.87 -0.56 -0.71 1.67 0.00 -1.11 -2.27 119.26 117.16 1qxd h ALA 71 Ca 0.10 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 1qxd h ALA 71 Cb 0.42 0.48 -0.21 0.00 0.00 0.00 0.00 17.79 18.48 1qxd h ALA 71 CO 0.01 -0.86 0.64 0.72 0.00 0.00 0.00 179.25 179.76 1qxd n HIS 72 N -5.41 2.16 0.31 0.00 8.25 -0.83 -4.65 115.22 115.05 1qxd n HIS 72 Ca -0.07 -2.20 0.20 0.00 -0.26 0.00 0.00 57.72 55.39 1qxd n HIS 72 Cb 0.32 -1.27 1.06 0.00 1.12 0.00 0.00 29.99 31.22 1qxd n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1qxd h VAL 73 N 1.68 0.00 -0.68 1.59 3.04 -0.75 0.17 116.25 121.31 1qxd h VAL 73 Ca 0.45 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1qxd h VAL 73 Cb 0.59 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1qxd h VAL 73 CO 1.10 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.13 1qxd n ASP 74 N -2.93 4.43 -1.65 3.17 8.00 -1.26 -4.34 116.55 121.96 1qxd n ASP 74 Ca -0.02 -2.28 -0.03 0.00 0.71 0.00 0.00 54.79 53.16 1qxd n ASP 74 Cb 0.09 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1qxd n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qxd n ASP 75 N 1.31 -0.56 -0.33 -2.24 2.03 -0.02 -4.97 116.55 111.76 1qxd n ASP 75 Ca 0.25 -2.06 0.12 0.00 0.52 0.00 0.00 54.79 53.63 1qxd n ASP 75 Cb 0.79 0.23 0.34 0.00 -0.72 0.00 0.00 41.12 41.75 1qxd n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1qxd h MET 76 N 0.63 0.74 -1.00 -0.67 2.86 -1.56 -0.35 114.93 115.58 1qxd h MET 76 Ca -0.45 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1qxd h MET 76 Cb 1.45 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 1qxd h MET 76 CO -0.16 0.49 0.66 -1.35 1.06 0.00 0.00 176.91 177.61 1qxd h PRO 77 N 0.76 1.31 0.14 -0.22 0.11 -1.93 0.82 132.00 132.99 1qxd h PRO 77 Ca 0.53 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 1qxd h PRO 77 Cb 0.83 -0.30 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1qxd h PRO 77 CO -0.31 0.87 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.38 1qxd h ASN 78 N 1.35 -0.16 0.29 -2.05 4.21 -1.72 -0.07 115.58 117.43 1qxd h ASN 78 Ca 0.36 -0.38 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1qxd h ASN 78 Cb -0.16 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 1qxd h ASN 78 CO -0.08 0.36 -0.37 0.00 -1.29 0.00 0.00 177.43 176.06 1qxd h ALA 79 N -0.06 -1.00 0.00 -0.83 0.00 -0.90 -2.68 119.26 113.79 1qxd h ALA 79 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qxd h ALA 79 Cb 0.53 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1qxd h ALA 79 CO 0.03 -1.04 0.00 1.28 0.00 0.00 0.00 179.25 179.52 1qxd n LEU 80 N -4.59 0.00 -0.32 0.00 4.77 0.28 -4.31 117.00 112.83 1qxd n LEU 80 Ca -0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 1qxd n LEU 80 Cb 0.32 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1qxd n LEU 80 CO 0.17 0.00 0.46 -0.24 -1.33 0.00 0.00 177.39 176.44 1qxd n SER 81 N -0.89 -0.63 -0.25 -1.43 2.88 -0.04 0.12 113.62 113.37 1qxd n SER 81 Ca 0.16 1.44 -0.05 0.00 -1.33 0.00 0.00 58.87 59.08 1qxd n SER 81 Cb 0.07 -0.29 0.05 0.00 -0.75 0.00 0.00 64.21 63.30 1qxd n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qxd h ALA 82 N 0.92 0.89 0.00 -1.46 0.00 -1.82 -2.11 119.26 115.68 1qxd h ALA 82 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1qxd h ALA 82 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qxd h ALA 82 CO -0.80 0.34 -0.20 -0.07 0.00 0.00 0.00 179.25 178.52 1qxd h LEU 83 N 0.95 0.00 0.28 0.00 3.38 -0.63 -1.76 115.31 117.53 1qxd h LEU 83 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1qxd h LEU 83 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1qxd h LEU 83 CO -0.05 0.20 -0.13 -1.28 0.09 0.00 0.00 178.44 177.26 1qxd h SER 84 N 0.00 -0.31 -0.21 -0.43 0.87 -0.17 -0.61 113.55 112.68 1qxd h SER 84 Ca -0.00 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1qxd h SER 84 Cb 0.47 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1qxd h SER 84 CO 0.03 0.05 -0.23 0.44 -0.53 0.00 0.00 176.83 176.59 1qxd h ASP 85 N -0.71 -0.73 -0.09 6.23 5.19 -1.13 0.42 116.42 125.60 1qxd h ASP 85 Ca -0.04 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1qxd h ASP 85 Cb 0.49 0.34 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 1qxd h ASP 85 CO 0.06 -0.27 -0.36 0.25 -3.12 0.00 0.00 179.24 175.80 1qxd h LEU 86 N -0.25 -1.14 -0.65 1.55 6.46 -1.30 0.82 115.31 120.81 1qxd h LEU 86 Ca 0.13 0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.89 1qxd h LEU 86 Cb 0.44 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1qxd h LEU 86 CO -0.36 -0.32 -0.35 0.45 -0.62 0.00 0.00 178.44 177.25 1qxd h HIS 87 N -0.39 0.78 0.04 1.25 3.86 -0.79 1.19 115.15 121.08 1qxd h HIS 87 Ca 0.02 -0.21 -0.36 0.00 -1.16 0.00 0.00 60.37 58.66 1qxd h HIS 87 Cb 0.45 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.70 1qxd h HIS 87 CO -0.54 0.92 -2.07 0.00 0.86 0.00 0.00 177.93 177.10 1qxd n ALA 88 N -2.51 1.07 -0.05 2.45 0.00 0.14 -1.06 120.51 120.55 1qxd n ALA 88 Ca -0.01 -0.81 -0.06 0.00 0.00 0.00 0.00 53.44 52.56 1qxd n ALA 88 Cb 0.49 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1qxd n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qxd h HIS 89 N -0.42 -0.01 0.00 0.00 3.86 0.35 -3.30 115.15 115.63 1qxd h HIS 89 Ca -0.51 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.69 1qxd h HIS 89 Cb 1.75 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.22 1qxd h HIS 89 CO 0.03 0.40 -0.09 -0.22 0.86 0.00 0.00 177.93 178.91 1qxd h LYS 90 N -1.00 0.00 0.00 2.45 3.64 0.32 -3.39 116.57 118.60 1qxd h LYS 90 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qxd h LYS 90 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1qxd h LYS 90 CO 0.00 0.63 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.58 1qxd h LEU 91 N -1.00 0.00 -1.63 5.20 3.38 0.13 -3.48 115.31 117.91 1qxd h LEU 91 Ca -0.02 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.43 1qxd h LEU 91 Cb 0.66 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1qxd h LEU 91 CO -0.01 0.00 -0.86 0.54 0.09 0.00 0.00 178.44 178.19 1qxd n ARG 92 N -3.00 -3.40 -2.28 1.13 5.12 -0.62 -4.88 116.66 108.73 1qxd n ARG 92 Ca 0.03 0.41 -0.42 0.00 -1.93 0.00 0.00 57.85 55.94 1qxd n ARG 92 Cb 0.53 -4.74 -0.03 0.00 -1.16 0.00 0.00 32.46 27.06 1qxd n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1qxd s VAL 93 N -3.74 3.53 0.05 1.55 1.01 -0.23 -4.96 120.40 117.61 1qxd s VAL 93 Ca 0.24 1.15 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 1qxd s VAL 93 Cb -0.13 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1qxd s VAL 93 CO 0.90 0.12 1.42 -0.62 0.00 0.00 0.00 175.10 176.92 1qxd s ASP 94 N 0.81 6.82 0.46 3.32 -1.08 -1.26 -4.88 116.67 120.85 1qxd s ASP 94 Ca 0.60 2.24 0.30 0.00 -0.52 0.00 0.00 52.55 55.16 1qxd s ASP 94 Cb -0.34 -2.57 1.38 0.00 -1.46 0.00 0.00 42.92 39.93 1qxd s ASP 94 CO 0.32 -0.71 1.71 -0.65 0.52 0.00 0.00 175.17 176.36 1qxd h PRO 95 N 7.47 0.15 -0.72 4.34 0.11 -1.96 -1.76 132.00 139.64 1qxd h PRO 95 Ca -0.40 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.83 1qxd h PRO 95 Cb 1.19 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1qxd h PRO 95 CO 0.89 0.10 0.27 -0.24 -0.21 0.00 0.00 178.00 178.81 1qxd h VAL 96 N 0.16 0.67 -0.66 3.15 3.04 -2.01 -1.74 116.25 118.86 1qxd h VAL 96 Ca 0.70 -0.14 0.09 0.00 -1.01 0.00 0.00 66.70 66.33 1qxd h VAL 96 Cb 2.27 0.22 -0.04 0.00 -2.01 0.00 0.00 31.29 31.73 1qxd h VAL 96 CO -0.25 0.08 0.44 0.78 -1.01 0.00 0.00 177.57 177.61 1qxd h ASN 97 N 0.42 0.50 0.35 3.17 4.21 -1.70 0.28 115.58 122.81 1qxd h ASN 97 Ca 0.39 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.89 1qxd h ASN 97 Cb 0.57 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1qxd h ASN 97 CO -0.39 0.31 -0.07 -0.26 -1.29 0.00 0.00 177.43 175.72 1qxd h PHE 98 N 0.56 0.00 0.00 1.19 -1.00 -1.46 0.71 116.94 116.94 1qxd h PHE 98 Ca 0.30 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.92 1qxd h PHE 98 Cb 0.43 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1qxd h PHE 98 CO -0.00 0.07 -0.76 0.87 -1.61 0.00 0.00 178.31 176.88 1qxd h LYS 99 N 0.00 0.00 0.06 1.51 1.57 -0.43 -2.53 116.57 116.74 1qxd h LYS 99 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1qxd h LYS 99 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.60 1qxd h LYS 99 CO 0.01 0.76 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.86 1qxd h LEU 100 N 0.00 0.53 -0.51 2.94 3.38 -0.62 -2.50 115.31 118.52 1qxd h LEU 100 Ca -0.01 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 1qxd h LEU 100 Cb 1.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1qxd h LEU 100 CO 0.10 1.31 0.27 0.25 0.09 0.00 0.00 178.44 180.46 1qxd h LEU 101 N -0.18 0.65 -0.17 1.67 5.85 -1.15 -0.81 115.31 121.17 1qxd h LEU 101 Ca -0.11 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1qxd h LEU 101 Cb 1.48 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1qxd h LEU 101 CO 0.14 0.56 -0.22 0.28 -0.34 0.00 0.00 178.44 178.86 1qxd h SER 102 N 0.68 -0.70 -0.98 1.25 0.02 -1.50 0.46 113.55 112.77 1qxd h SER 102 Ca 0.18 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1qxd h SER 102 Cb 0.06 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1qxd h SER 102 CO -0.03 -0.27 0.63 -0.74 -1.14 0.00 0.00 176.83 175.28 1qxd h HIS 103 N -0.27 1.17 -0.19 3.45 -0.00 -1.20 0.10 115.15 118.21 1qxd h HIS 103 Ca 0.11 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.38 1qxd h HIS 103 Cb 0.43 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1qxd h HIS 103 CO -0.34 0.60 -0.43 0.00 -0.00 0.00 0.00 177.93 177.76 1qxd h LEU 105 N 0.37 -0.09 -0.75 0.00 -0.00 0.92 -0.39 115.31 115.38 1qxd h LEU 105 Ca 0.03 -0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.89 1qxd h LEU 105 Cb 0.91 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 41.52 1qxd h LEU 105 CO 0.08 0.05 0.39 -0.07 -0.00 0.00 0.00 178.44 178.90 1qxd h LEU 106 N -0.23 0.54 -0.54 1.67 3.38 -0.56 0.26 115.31 119.84 1qxd h LEU 106 Ca -0.01 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1qxd h LEU 106 Cb 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1qxd h LEU 106 CO 0.02 0.31 -0.01 0.58 0.09 0.00 0.00 178.44 179.43 1qxd h VAL 107 N 0.67 1.26 0.04 1.22 2.07 -0.41 -0.81 116.25 120.30 1qxd h VAL 107 Ca 0.36 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1qxd h VAL 107 Cb 0.36 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1qxd h VAL 107 CO -0.26 0.40 -0.03 0.74 0.02 0.00 0.00 177.57 178.44 1qxd h THR 108 N 0.83 0.93 -0.26 2.57 2.02 0.11 -1.26 112.91 117.85 1qxd h THR 108 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 1qxd h THR 108 Cb 0.54 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1qxd h THR 108 CO 0.03 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.82 1qxd h LEU 109 N -0.08 -0.16 -1.50 2.58 4.07 -0.27 -1.79 115.31 118.16 1qxd h LEU 109 Ca -0.00 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1qxd h LEU 109 Cb 0.07 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 1qxd h LEU 109 CO -0.00 -0.05 0.39 0.00 -1.08 0.00 0.00 178.44 177.70 1qxd h ALA 110 N 1.24 1.74 0.00 1.53 0.00 -0.97 1.02 119.26 123.82 1qxd h ALA 110 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1qxd h ALA 110 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1qxd h ALA 110 CO -0.23 0.19 -0.12 0.00 0.00 0.00 0.00 179.25 179.08 1qxd h ALA 111 N 1.67 0.96 0.00 0.00 0.00 -0.43 -3.28 119.26 118.18 1qxd h ALA 111 Ca 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1qxd h ALA 111 Cb 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1qxd h ALA 111 CO -0.07 0.15 -1.59 0.72 0.00 0.00 0.00 179.25 178.46 1qxd n HIS 112 N -3.19 0.00 -2.61 0.00 -0.00 -0.47 -4.72 115.22 104.23 1qxd n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.48 1qxd n HIS 112 Cb 0.47 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.99 30.07 1qxd n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1qxd n LEU 113 N -2.15 4.33 -0.34 2.41 4.77 0.34 -4.93 117.00 121.43 1qxd n LEU 113 Ca -0.10 -5.20 0.11 0.00 -0.03 0.00 0.00 56.01 50.78 1qxd n LEU 113 Cb 0.59 -0.39 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 1qxd n LEU 113 CO 0.21 2.22 0.76 1.55 -1.33 0.00 0.00 177.39 180.80 1qxd h PRO 114 N 2.71 0.02 -0.04 3.23 0.13 -1.75 0.26 132.00 136.55 1qxd h PRO 114 Ca 0.23 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.20 1qxd h PRO 114 Cb 0.85 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1qxd h PRO 114 CO 0.81 0.01 -0.70 0.00 -0.23 0.00 0.00 178.00 177.89 1qxd h ALA 115 N 1.95 0.74 0.00 -0.56 0.00 -1.92 -3.17 119.26 116.31 1qxd h ALA 115 Ca 0.54 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1qxd h ALA 115 Cb 1.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1qxd h ALA 115 CO -0.92 0.80 -0.69 1.49 0.00 0.00 0.00 179.25 179.93 1qxd h GLU 116 N 0.14 0.00 -4.12 0.00 4.57 -1.40 -3.39 114.58 110.38 1qxd h GLU 116 Ca -0.02 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 57.46 1qxd h GLU 116 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1qxd h GLU 116 CO 0.11 0.69 2.95 0.34 -1.18 0.00 0.00 179.01 181.92 1qxd n PHE 117 N -3.30 3.20 -2.43 0.92 7.35 0.73 -4.75 117.46 119.18 1qxd n PHE 117 Ca 0.01 -2.73 -0.26 0.00 -0.76 0.00 0.00 57.45 53.71 1qxd n PHE 117 Cb 0.80 -2.38 0.04 0.00 0.35 0.00 0.00 39.48 38.29 1qxd n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1qxd s THR 118 N 3.60 3.30 0.14 -2.13 -4.23 -1.26 -4.81 115.64 110.25 1qxd s THR 118 Ca 0.49 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.64 1qxd s THR 118 Cb 0.14 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.68 1qxd s THR 118 CO -0.04 -0.31 1.68 -0.65 -0.54 0.00 0.00 174.62 174.76 1qxd h PRO 119 N -0.19 -0.05 -0.43 3.99 0.11 -1.98 0.13 132.00 133.57 1qxd h PRO 119 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1qxd h PRO 119 Cb 1.27 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1qxd h PRO 119 CO 0.59 -0.03 0.08 0.00 -0.21 0.00 0.00 178.00 178.43 1qxd h ALA 120 N 1.17 0.47 -0.43 -0.75 0.00 -1.96 0.14 119.26 117.90 1qxd h ALA 120 Ca 0.13 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1qxd h ALA 120 Cb 0.24 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qxd h ALA 120 CO -0.28 -0.32 -0.05 0.28 0.00 0.00 0.00 179.25 178.87 1qxd h VAL 121 N 0.21 1.27 -0.73 0.00 2.07 -1.76 -0.47 116.25 116.83 1qxd h VAL 121 Ca 0.21 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1qxd h VAL 121 Cb 0.27 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1qxd h VAL 121 CO -0.28 0.38 0.48 -0.74 0.02 0.00 0.00 177.57 177.43 1qxd h HIS 122 N 0.64 0.72 -0.16 1.57 6.17 -0.30 0.31 115.15 124.10 1qxd h HIS 122 Ca 0.12 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.17 1qxd h HIS 122 Cb 0.57 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 30.26 1qxd h HIS 122 CO 0.04 0.36 -0.08 0.00 0.71 0.00 0.00 177.93 178.96 1qxd h ALA 123 N 1.62 0.22 0.19 5.26 0.00 0.11 -1.50 119.26 125.16 1qxd h ALA 123 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qxd h ALA 123 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qxd h ALA 123 CO -0.11 0.04 -0.09 0.77 0.00 0.00 0.00 179.25 179.85 1qxd h SER 124 N -0.00 -0.22 -1.00 0.00 0.02 -0.31 -1.91 113.55 110.13 1qxd h SER 124 Ca 0.03 -0.14 0.22 0.00 -0.84 0.00 0.00 61.79 61.07 1qxd h SER 124 Cb 0.56 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.06 1qxd h SER 124 CO 0.02 0.01 0.62 -0.07 -1.14 0.00 0.00 176.83 176.28 1qxd h LEU 125 N -0.46 0.61 0.14 5.07 3.38 -0.42 0.47 115.31 124.11 1qxd h LEU 125 Ca -0.03 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1qxd h LEU 125 Cb 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1qxd h LEU 125 CO 0.04 0.18 -0.07 -0.78 0.09 0.00 0.00 178.44 177.90 1qxd h ASP 126 N 0.57 -0.16 -0.36 -0.43 3.58 -1.07 -1.45 116.42 117.10 1qxd h ASP 126 Ca 0.58 -0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.80 1qxd h ASP 126 Cb 1.17 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 1qxd h ASP 126 CO -0.34 0.24 -0.06 0.50 -2.88 0.00 0.00 179.24 176.69 1qxd h LYS 127 N -0.59 0.02 -0.15 0.28 3.64 -0.18 0.46 116.57 120.06 1qxd h LYS 127 Ca -0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1qxd h LYS 127 Cb 0.45 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1qxd h LYS 127 CO 0.03 0.02 -0.32 0.35 -2.27 0.00 0.00 179.45 177.26 1qxd h PHE 128 N 0.03 -0.87 0.00 1.91 3.57 -0.11 0.34 116.94 121.80 1qxd h PHE 128 Ca 0.17 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1qxd h PHE 128 Cb 0.26 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1qxd h PHE 128 CO -0.30 -0.39 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.26 1qxd h LEU 129 N -0.38 0.00 -0.50 0.59 3.38 -0.61 0.33 115.31 118.12 1qxd h LEU 129 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1qxd h LEU 129 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1qxd h LEU 129 CO -0.36 0.06 -0.73 0.00 0.09 0.00 0.00 178.44 177.50 1qxd h ALA 130 N 1.94 0.72 0.01 1.53 0.00 0.96 -1.11 119.26 123.30 1qxd h ALA 130 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1qxd h ALA 130 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qxd h ALA 130 CO 0.01 0.83 -0.20 0.77 0.00 0.00 0.00 179.25 180.65 1qxd h SER 131 N 0.12 0.17 -0.46 0.00 0.02 0.92 -1.77 113.55 112.55 1qxd h SER 131 Ca -0.02 -0.82 0.08 0.00 -0.84 0.00 0.00 61.79 60.19 1qxd h SER 131 Cb 1.29 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1qxd h SER 131 CO 0.11 0.97 0.07 0.58 -1.14 0.00 0.00 176.83 177.41 1qxd h VAL 132 N -0.61 0.72 -0.92 2.27 2.07 -1.16 0.68 116.25 119.30 1qxd h VAL 132 Ca -0.03 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1qxd h VAL 132 Cb 1.00 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1qxd h VAL 132 CO 0.04 0.04 0.61 0.28 0.02 0.00 0.00 177.57 178.55 1qxd h SER 133 N 0.19 1.07 -0.00 0.57 0.02 -1.23 0.29 113.55 114.47 1qxd h SER 133 Ca 0.23 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1qxd h SER 133 Cb 0.31 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1qxd h SER 133 CO -0.32 0.78 0.00 0.74 -1.14 0.00 0.00 176.83 176.89 1qxd h THR 134 N 1.26 1.17 0.18 -2.27 2.02 -0.28 -1.18 112.91 113.82 1qxd h THR 134 Ca 0.34 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1qxd h THR 134 Cb -0.14 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1qxd h THR 134 CO -0.07 0.13 -0.24 0.58 0.37 0.00 0.00 175.52 176.29 1qxd h VAL 135 N -0.21 0.48 0.00 3.16 2.07 -0.45 -1.34 116.25 119.97 1qxd h VAL 135 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qxd h VAL 135 Cb 0.21 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1qxd h VAL 135 CO -0.00 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 1qxd h LEU 136 N -0.48 0.00 -2.01 2.57 3.38 -0.34 -1.93 115.31 116.52 1qxd h LEU 136 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qxd h LEU 136 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1qxd h LEU 136 CO -0.09 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.79 1qxd n THR 137 N -2.50 0.19 -3.88 0.22 -2.24 -0.45 -3.55 114.28 102.07 1qxd n THR 137 Ca -0.01 -0.60 -0.36 0.00 -2.27 0.00 0.00 64.05 60.82 1qxd n THR 137 Cb 0.09 1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 1qxd n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qxd s SER 138 N -1.62 6.11 -0.47 3.42 0.01 -0.67 -4.90 113.70 115.58 1qxd s SER 138 Ca 0.28 0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.64 1qxd s SER 138 Cb 0.19 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.44 1qxd s SER 138 CO 0.27 0.27 0.55 -0.54 0.41 0.00 0.00 173.24 174.21 1qxd s LYS 139 N -0.22 3.13 -0.06 12.44 1.02 -1.26 -4.77 119.74 130.01 1qxd s LYS 139 Ca 0.10 -0.80 0.12 0.00 0.02 0.00 0.00 55.97 55.40 1qxd s LYS 139 Cb -0.12 -4.04 0.21 0.00 -0.52 0.00 0.00 37.83 33.37 1qxd s LYS 139 CO 0.01 -1.06 1.10 2.48 -0.92 0.00 0.00 175.35 176.96 1qxd n TYR 140 N 5.93 0.00 -1.36 3.18 0.18 -1.26 -5.15 117.16 118.67 1qxd n TYR 140 Ca -0.06 -0.57 0.00 0.00 1.88 0.00 0.00 57.90 59.15 1qxd n TYR 140 Cb 0.46 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 1qxd n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32