#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7o s LEU 2 N 0.00 4.31 0.70 7.52 1.02 -1.26 -5.03 118.68 125.94 3d7o s LEU 2 Ca 0.00 2.18 -0.11 0.00 0.02 0.00 0.00 54.13 56.22 3d7o s LEU 2 Cb 0.00 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.67 3d7o s LEU 2 CO 0.00 -0.81 1.07 -0.94 0.02 0.00 0.00 176.35 175.69 3d7o s SER 3 N 2.40 5.45 0.23 2.29 1.04 -1.26 -4.82 113.70 119.03 3d7o s SER 3 Ca 0.68 1.34 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 3d7o s SER 3 Cb -0.33 -2.21 0.41 0.00 0.10 0.00 0.00 66.02 63.99 3d7o s SER 3 CO 0.27 -1.36 1.70 -0.65 0.98 0.00 0.00 173.24 174.18 3d7o h PRO 4 N -0.67 0.29 -0.59 4.02 0.11 -1.99 0.61 132.00 133.79 3d7o h PRO 4 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3d7o h PRO 4 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3d7o h PRO 4 CO 0.61 0.19 0.38 0.00 -0.21 0.00 0.00 178.00 178.97 3d7o h ALA 5 N 1.56 0.75 -0.25 -0.75 0.00 -1.99 -1.48 119.26 117.09 3d7o h ALA 5 Ca 0.38 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3d7o h ALA 5 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3d7o h ALA 5 CO -0.45 0.14 0.08 -0.44 0.00 0.00 0.00 179.25 178.58 3d7o h ASP 6 N 0.76 0.09 -0.70 0.00 3.32 -1.75 -0.04 116.42 118.10 3d7o h ASP 6 Ca 0.22 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3d7o h ASP 6 Cb -0.04 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3d7o h ASP 6 CO -0.07 0.08 0.43 0.11 -1.72 0.00 0.00 179.24 178.08 3d7o h LYS 7 N 0.20 0.94 -0.70 3.56 1.57 -0.61 0.10 116.57 121.62 3d7o h LYS 7 Ca 0.11 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3d7o h LYS 7 Cb 0.08 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3d7o h LYS 7 CO -0.12 0.65 0.15 0.00 -0.57 0.00 0.00 179.45 179.57 3d7o h THR 8 N 0.95 1.26 -0.58 -0.16 1.03 -0.92 -1.73 112.91 112.77 3d7o h THR 8 Ca 0.25 -1.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3d7o h THR 8 Cb -0.06 0.56 -0.03 0.00 -1.07 0.00 0.00 68.15 67.56 3d7o h THR 8 CO -0.05 0.38 0.34 0.78 -0.01 0.00 0.00 175.52 176.96 3d7o h ASN 9 N 1.07 0.70 -0.31 0.00 2.35 -0.43 0.12 115.58 119.08 3d7o h ASN 9 Ca 0.22 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3d7o h ASN 9 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3d7o h ASN 9 CO 0.01 0.56 -0.23 0.58 -1.65 0.00 0.00 177.43 176.70 3d7o h VAL 10 N 0.78 1.30 -0.65 2.81 2.07 -0.90 -1.55 116.25 120.10 3d7o h VAL 10 Ca 0.21 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.44 3d7o h VAL 10 Cb -0.00 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3d7o h VAL 10 CO -0.04 0.44 0.32 0.11 0.02 0.00 0.00 177.57 178.42 3d7o h LYS 11 N 0.45 0.55 -0.49 1.57 1.57 -1.07 0.10 116.57 119.25 3d7o h LYS 11 Ca 0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3d7o h LYS 11 Cb 0.78 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3d7o h LYS 11 CO 0.06 0.36 0.28 0.00 -0.57 0.00 0.00 179.45 179.58 3d7o h ALA 12 N 1.39 0.62 -0.51 3.86 0.00 -0.75 -1.25 119.26 122.62 3d7o h ALA 12 Ca 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3d7o h ALA 12 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d7o h ALA 12 CO -0.24 0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.06 3d7o h ALA 13 N 1.12 0.70 -0.26 0.00 0.00 -0.89 -2.26 119.26 117.66 3d7o h ALA 13 Ca 0.17 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3d7o h ALA 13 Cb 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3d7o h ALA 13 CO -0.03 0.58 -0.02 2.35 0.00 0.00 0.00 179.25 182.13 3d7o h TRP 14 N 0.81 -0.05 -0.41 0.00 7.01 -0.61 -1.64 115.95 121.06 3d7o h TRP 14 Ca 0.13 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.23 3d7o h TRP 14 Cb 0.63 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.69 3d7o h TRP 14 CO 0.05 -0.06 0.04 0.78 -2.79 0.00 0.00 178.44 176.45 3d7o h GLY 15 N 0.05 0.45 1.02 2.65 0.00 -1.08 -0.69 103.07 105.47 3d7o h GLY 15 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3d7o h GLY 15 CO -0.23 -0.08 0.13 0.50 0.00 0.00 0.00 176.54 176.86 3d7o h LYS 16 N 0.15 0.95 -0.76 4.80 1.79 -1.12 -2.25 116.57 120.13 3d7o h LYS 16 Ca 0.20 -0.24 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3d7o h LYS 16 Cb 0.28 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 3d7o h LYS 16 CO -0.31 0.89 0.45 0.28 -1.08 0.00 0.00 179.45 179.68 3d7o h VAL 17 N 0.86 1.01 0.00 0.50 2.07 -1.11 -3.47 116.25 116.12 3d7o h VAL 17 Ca 0.18 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3d7o h VAL 17 Cb 0.37 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3d7o h VAL 17 CO 0.01 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3d7o n GLY 18 N -1.31 2.45 0.00 2.17 0.00 -0.28 -1.96 105.19 106.26 3d7o n GLY 18 Ca 0.10 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3d7o n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7o n ALA 19 N 7.83 2.01 1.36 4.61 0.00 -1.26 -2.34 120.51 132.73 3d7o n ALA 19 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.50 3d7o n ALA 19 Cb 0.00 -1.22 0.59 0.00 0.00 0.00 0.00 19.45 18.82 3d7o n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d7o n HIS 20 N -0.98 0.00 -0.20 0.00 8.25 -0.83 -4.48 115.22 116.98 3d7o n HIS 20 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 3d7o n HIS 20 Cb 0.05 -0.20 0.11 0.00 1.12 0.00 0.00 29.99 31.07 3d7o n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d7o h ALA 21 N 3.55 0.75 -0.09 -1.41 0.00 -1.62 0.08 119.26 120.53 3d7o h ALA 21 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3d7o h ALA 21 Cb 0.37 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3d7o h ALA 21 CO 0.00 -0.27 -0.18 0.78 0.00 0.00 0.00 179.25 179.58 3d7o h GLY 22 N 0.31 -0.16 0.65 0.00 0.00 -1.84 0.94 103.07 102.96 3d7o h GLY 22 Ca 0.32 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.93 3d7o h GLY 22 CO -0.38 -0.17 0.43 -2.09 0.00 0.00 0.00 176.54 174.34 3d7o h GLU 23 N -0.24 0.76 -0.35 4.80 4.81 -1.71 -1.27 114.58 121.37 3d7o h GLU 23 Ca 0.08 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3d7o h GLU 23 Cb 0.36 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3d7o h GLU 23 CO -0.23 0.50 -0.16 1.88 -0.73 0.00 0.00 179.01 180.27 3d7o h TYR 24 N 0.78 0.69 -0.53 0.92 0.99 -0.49 -1.00 116.97 118.32 3d7o h TYR 24 Ca 0.34 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 3d7o h TYR 24 Cb 0.22 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 3d7o h TYR 24 CO -0.06 0.75 0.23 0.78 -0.00 0.00 0.00 178.16 179.86 3d7o h GLY 25 N 0.98 0.83 1.00 3.88 0.00 -0.33 0.63 103.07 110.06 3d7o h GLY 25 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3d7o h GLY 25 CO 0.04 0.41 0.25 0.00 0.00 0.00 0.00 176.54 177.24 3d7o h ALA 26 N 1.08 0.48 -0.91 3.60 0.00 -0.98 -1.31 119.26 121.22 3d7o h ALA 26 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d7o h ALA 26 Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3d7o h ALA 26 CO -0.02 -0.06 0.60 1.49 0.00 0.00 0.00 179.25 181.27 3d7o h GLU 27 N 0.52 1.20 -0.63 0.00 4.81 -0.78 -1.44 114.58 118.25 3d7o h GLU 27 Ca 0.14 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3d7o h GLU 27 Cb -0.06 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.03 3d7o h GLU 27 CO -0.03 0.79 0.19 0.00 -0.73 0.00 0.00 179.01 179.23 3d7o h ALA 28 N 1.33 0.82 -0.18 2.92 0.00 -0.39 -0.50 119.26 123.26 3d7o h ALA 28 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d7o h ALA 28 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3d7o h ALA 28 CO -0.07 0.50 0.11 -0.07 0.00 0.00 0.00 179.25 179.72 3d7o h LEU 29 N 0.90 0.20 -0.60 0.00 3.38 -1.00 -0.41 115.31 117.78 3d7o h LEU 29 Ca 0.20 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3d7o h LEU 29 Cb 0.31 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3d7o h LEU 29 CO -0.00 0.14 0.31 -0.08 0.09 0.00 0.00 178.44 178.90 3d7o h GLU 30 N 0.24 0.56 -0.55 1.13 4.81 -0.99 -1.05 114.58 118.73 3d7o h GLU 30 Ca 0.07 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3d7o h GLU 30 Cb -0.02 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 3d7o h GLU 30 CO -0.02 0.37 0.24 0.00 -0.73 0.00 0.00 179.01 178.87 3d7o h ARG 31 N 0.58 0.44 0.01 1.92 3.08 -0.83 -1.98 114.38 117.60 3d7o h ARG 31 Ca 0.27 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3d7o h ARG 31 Cb 0.19 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3d7o h ARG 31 CO -0.19 0.29 -0.02 1.98 -1.07 0.00 0.00 179.97 180.97 3d7o h MET 32 N 0.45 -0.03 -0.74 0.04 4.05 -0.61 0.47 114.93 118.56 3d7o h MET 32 Ca 0.26 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3d7o h MET 32 Cb 0.24 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3d7o h MET 32 CO -0.22 -0.02 0.35 0.74 0.23 0.00 0.00 176.91 177.99 3d7o h PHE 33 N -0.03 1.05 0.00 1.39 0.04 -0.94 0.32 116.94 118.76 3d7o h PHE 33 Ca 0.00 -0.04 -0.26 0.00 2.80 0.00 0.00 57.97 60.47 3d7o h PHE 33 Cb 0.04 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 37.88 3d7o h PHE 33 CO -0.09 0.76 -1.04 -0.07 -0.60 0.00 0.00 178.31 177.28 3d7o h LEU 34 N 1.05 0.87 0.15 1.54 3.38 -1.33 -3.24 115.31 117.72 3d7o h LEU 34 Ca 0.25 -0.70 -0.29 0.00 0.09 0.00 0.00 57.88 57.24 3d7o h LEU 34 Cb 0.11 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.60 3d7o h LEU 34 CO -0.03 1.50 -1.33 0.28 0.09 0.00 0.00 178.44 178.95 3d7o h SER 35 N 0.38 0.50 -2.45 -0.43 0.02 -0.71 -3.39 113.55 107.46 3d7o h SER 35 Ca -0.12 -0.56 -0.59 0.00 -0.84 0.00 0.00 61.79 59.67 3d7o h SER 35 Cb 1.69 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.66 3d7o h SER 35 CO 0.20 1.44 -0.79 0.49 -1.14 0.00 0.00 176.83 177.03 3d7o n PHE 36 N -3.56 1.61 0.32 3.45 3.01 0.11 -4.98 117.46 117.42 3d7o n PHE 36 Ca -0.11 -3.88 0.21 0.00 1.01 0.00 0.00 57.45 54.68 3d7o n PHE 36 Cb 1.04 -0.34 1.12 0.00 -0.01 0.00 0.00 39.48 41.29 3d7o n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3d7o h PRO 37 N 4.83 0.00 -0.59 -1.08 0.13 -1.74 -1.05 132.00 132.50 3d7o h PRO 37 Ca 0.17 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.43 3d7o h PRO 37 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 3d7o h PRO 37 CO 0.61 0.00 0.41 1.79 -0.23 0.00 0.00 178.00 180.58 3d7o h THR 38 N 0.00 0.81 0.00 1.56 1.35 -1.92 -2.26 112.91 112.46 3d7o h THR 38 Ca 0.00 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 3d7o h THR 38 Cb 0.07 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 3d7o h THR 38 CO -0.00 0.04 -0.16 0.71 -0.25 0.00 0.00 175.52 175.87 3d7o h THR 39 N 0.24 0.98 -0.46 6.82 1.35 -1.51 -3.01 112.91 117.33 3d7o h THR 39 Ca 0.28 -0.57 0.13 0.00 -0.55 0.00 0.00 66.41 65.71 3d7o h THR 39 Cb 0.78 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3d7o h THR 39 CO -0.06 0.16 0.33 0.11 -0.25 0.00 0.00 175.52 175.81 3d7o h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.58 -2.44 116.57 118.83 3d7o h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d7o h LYS 40 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3d7o h LYS 40 CO 0.02 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.69 3d7o h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.72 -0.37 112.91 112.01 3d7o h THR 41 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3d7o h THR 41 Cb 0.88 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3d7o h THR 41 CO -0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 3d7o n TYR 42 N -2.92 0.55 -2.79 4.73 4.01 -0.92 -3.90 117.16 115.93 3d7o n TYR 42 Ca -0.01 0.20 -0.22 0.00 -0.16 0.00 0.00 57.90 57.70 3d7o n TYR 42 Cb 0.16 -0.82 -0.01 0.00 -0.31 0.00 0.00 39.34 38.36 3d7o n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3d7o n PHE 43 N -1.98 2.68 0.21 -0.72 3.01 -0.15 -4.89 117.46 115.62 3d7o n PHE 43 Ca 0.04 -3.48 0.06 0.00 1.01 0.00 0.00 57.45 55.07 3d7o n PHE 43 Cb 0.27 -0.33 0.52 0.00 -0.01 0.00 0.00 39.48 39.94 3d7o n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3d7o h PRO 44 N 2.86 0.05 -0.01 -1.08 0.13 -1.68 -2.38 132.00 129.89 3d7o h PRO 44 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3d7o h PRO 44 Cb 0.83 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3d7o h PRO 44 CO 0.72 0.16 -0.23 -2.39 -0.23 0.00 0.00 178.00 176.02 3d7o n HIS 45 N -4.39 0.00 -3.09 1.56 1.44 -1.26 -4.86 115.22 104.62 3d7o n HIS 45 Ca -0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 3d7o n HIS 45 Cb 0.19 -0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 3d7o n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3d7o s PHE 46 N -2.42 3.57 -0.21 -1.40 2.99 -0.90 -5.05 117.98 114.56 3d7o s PHE 46 Ca 0.26 1.37 -0.24 0.00 0.00 0.00 0.00 56.93 58.31 3d7o s PHE 46 Cb 0.19 -2.62 -0.01 0.00 0.00 0.00 0.00 43.02 40.59 3d7o s PHE 46 CO 0.50 0.26 0.81 0.34 -0.00 0.00 0.00 175.22 177.13 3d7o s ASP 47 N -1.82 6.87 0.00 1.36 -1.08 -1.26 -4.95 116.67 115.79 3d7o s ASP 47 Ca 0.47 1.07 0.23 0.00 -0.52 0.00 0.00 52.55 53.80 3d7o s ASP 47 Cb -0.15 -2.43 0.54 0.00 -1.46 0.00 0.00 42.92 39.42 3d7o s ASP 47 CO 0.20 -0.45 1.48 0.18 0.52 0.00 0.00 175.17 177.10 3d7o n LEU 48 N 5.62 3.75 -4.73 -1.34 4.77 -1.26 -4.50 117.00 119.29 3d7o n LEU 48 Ca 0.04 -1.75 -0.32 0.00 -0.03 0.00 0.00 56.01 53.95 3d7o n LEU 48 Cb 0.48 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.30 3d7o n LEU 48 CO 0.47 0.88 0.71 -0.94 -1.33 0.00 0.00 177.39 177.18 3d7o s SER 49 N -1.24 4.05 0.23 -1.43 1.04 -1.26 -4.91 113.70 110.18 3d7o s SER 49 Ca 0.44 2.04 -0.32 0.00 0.48 0.00 0.00 55.95 58.60 3d7o s SER 49 Cb 0.24 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.69 3d7o s SER 49 CO 0.33 -2.34 1.52 1.57 0.98 0.00 0.00 173.24 175.30 3d7o n HIS 50 N -3.47 2.42 -0.88 5.02 -0.00 -1.26 -1.93 115.22 115.12 3d7o n HIS 50 Ca 0.11 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.60 3d7o n HIS 50 Cb 0.52 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 3d7o n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d7o n GLY 51 N 2.60 0.61 3.70 1.57 0.00 -1.26 -5.00 105.19 107.41 3d7o n GLY 51 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3d7o n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d7o s SER 52 N -2.13 6.44 0.52 1.61 0.15 -0.81 -4.88 113.70 114.59 3d7o s SER 52 Ca 0.00 2.76 0.18 0.00 0.70 0.00 0.00 55.95 59.59 3d7o s SER 52 Cb 0.00 -2.58 1.29 0.00 -1.71 0.00 0.00 66.02 63.03 3d7o s SER 52 CO 0.00 -0.97 2.11 0.00 1.20 0.00 0.00 173.24 175.57 3d7o h ALA 53 N 7.96 2.13 -0.15 5.45 0.00 -1.91 -0.88 119.26 131.87 3d7o h ALA 53 Ca -0.45 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 3d7o h ALA 53 Cb 1.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3d7o h ALA 53 CO 0.95 -0.17 -0.76 1.96 0.00 0.00 0.00 179.25 181.22 3d7o h GLN 54 N 0.01 0.79 -0.39 0.00 4.20 -1.90 -1.29 115.11 116.53 3d7o h GLN 54 Ca 0.07 -0.64 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 3d7o h GLN 54 Cb 0.28 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3d7o h GLN 54 CO -0.00 1.25 0.03 0.28 -0.67 0.00 0.00 178.83 179.72 3d7o h VAL 55 N 0.52 1.25 -0.33 -0.54 2.07 -1.68 -0.49 116.25 117.05 3d7o h VAL 55 Ca -0.05 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.59 3d7o h VAL 55 Cb 1.39 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 3d7o h VAL 55 CO 0.16 0.32 -0.03 0.11 0.02 0.00 0.00 177.57 178.15 3d7o h LYS 56 N 0.50 0.06 -0.36 1.57 1.57 -1.16 0.80 116.57 119.55 3d7o h LYS 56 Ca 0.11 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3d7o h LYS 56 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3d7o h LYS 56 CO 0.01 0.04 -0.23 0.78 -0.57 0.00 0.00 179.45 179.49 3d7o h GLY 57 N 0.06 0.77 1.26 3.86 0.00 -1.11 -2.42 103.07 105.49 3d7o h GLY 57 Ca 0.16 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 3d7o h GLY 57 CO -0.30 0.59 -0.36 0.84 0.00 0.00 0.00 176.54 177.32 3d7o h HIS 58 N 0.62 0.96 -0.66 5.60 -0.00 -0.74 -2.44 115.15 118.50 3d7o h HIS 58 Ca 0.09 -0.27 0.10 0.00 -0.00 0.00 0.00 60.37 60.28 3d7o h HIS 58 Cb 0.72 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 27.85 3d7o h HIS 58 CO 0.03 1.05 0.28 0.78 -0.00 0.00 0.00 177.93 180.08 3d7o h GLY 59 N 0.89 0.96 0.99 5.26 0.00 -0.61 -0.56 103.07 110.01 3d7o h GLY 59 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3d7o h GLY 59 CO 0.08 -0.00 0.29 1.70 0.00 0.00 0.00 176.54 178.62 3d7o h LYS 60 N 0.48 0.88 -0.69 4.80 1.63 -1.16 -1.14 116.57 121.36 3d7o h LYS 60 Ca 0.33 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 3d7o h LYS 60 Cb 0.40 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3d7o h LYS 60 CO -0.30 0.70 0.36 0.87 -3.45 0.00 0.00 179.45 177.63 3d7o h LYS 61 N 0.83 0.97 -0.19 1.90 1.57 -0.78 0.03 116.57 120.91 3d7o h LYS 61 Ca 0.21 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3d7o h LYS 61 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3d7o h LYS 61 CO -0.03 0.74 0.03 0.28 -0.57 0.00 0.00 179.45 179.91 3d7o h VAL 62 N 0.95 1.23 -0.83 0.50 2.07 -0.98 -0.92 116.25 118.27 3d7o h VAL 62 Ca 0.24 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3d7o h VAL 62 Cb 0.07 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3d7o h VAL 62 CO -0.04 0.23 0.53 0.00 0.02 0.00 0.00 177.57 178.32 3d7o h ALA 63 N 0.82 1.08 -0.54 1.67 0.00 -1.05 -1.37 119.26 119.87 3d7o h ALA 63 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3d7o h ALA 63 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3d7o h ALA 63 CO 0.00 0.38 0.16 -0.44 0.00 0.00 0.00 179.25 179.35 3d7o h ASP 64 N 1.05 0.75 -0.44 0.00 3.32 -0.70 -0.76 116.42 119.65 3d7o h ASP 64 Ca 0.32 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3d7o h ASP 64 Cb -0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3d7o h ASP 64 CO -0.10 0.72 -0.06 0.00 -1.72 0.00 0.00 179.24 178.08 3d7o h ALA 65 N 1.38 0.60 -0.60 3.45 0.00 -0.52 -1.49 119.26 122.09 3d7o h ALA 65 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3d7o h ALA 65 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3d7o h ALA 65 CO -0.01 0.45 0.04 -0.07 0.00 0.00 0.00 179.25 179.66 3d7o h LEU 66 N 0.65 0.98 -0.62 0.00 3.38 -0.91 -0.34 115.31 118.45 3d7o h LEU 66 Ca 0.12 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3d7o h LEU 66 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3d7o h LEU 66 CO 0.03 1.01 -0.45 0.71 0.09 0.00 0.00 178.44 179.84 3d7o h THR 67 N 0.94 1.31 -0.84 0.22 1.35 -1.04 -0.10 112.91 114.75 3d7o h THR 67 Ca 0.18 -1.64 0.05 0.00 -0.55 0.00 0.00 66.41 64.45 3d7o h THR 67 Cb 0.49 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 68.47 3d7o h THR 67 CO 0.02 0.51 0.53 -1.13 -0.25 0.00 0.00 175.52 175.20 3d7o h ASN 68 N 0.46 0.84 -0.22 5.36 -0.00 -0.90 -0.47 115.58 120.65 3d7o h ASN 68 Ca 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 3d7o h ASN 68 Cb 0.96 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.10 3d7o h ASN 68 CO 0.09 0.56 0.10 0.00 -0.00 0.00 0.00 177.43 178.18 3d7o h ALA 69 N 1.38 0.29 -0.79 1.57 0.00 -0.54 -1.55 119.26 119.61 3d7o h ALA 69 Ca 0.35 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3d7o h ALA 69 Cb 0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3d7o h ALA 69 CO -0.15 -0.14 0.45 0.28 0.00 0.00 0.00 179.25 179.69 3d7o h VAL 70 N 0.22 0.94 0.00 0.00 2.07 -0.71 -1.76 116.25 117.01 3d7o h VAL 70 Ca 0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3d7o h VAL 70 Cb 0.13 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3d7o h VAL 70 CO -0.01 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 3d7o h ALA 71 N 1.42 0.98 -1.31 1.67 0.00 -0.77 -3.07 119.26 118.19 3d7o h ALA 71 Ca 0.37 -0.05 -0.51 0.00 0.00 0.00 0.00 54.91 54.72 3d7o h ALA 71 Cb 0.29 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.66 3d7o h ALA 71 CO -0.22 0.07 -0.88 0.72 0.00 0.00 0.00 179.25 178.94 3d7o n HIS 72 N -3.14 2.68 0.23 0.00 -0.00 -0.61 -4.93 115.22 109.46 3d7o n HIS 72 Ca 0.02 -2.96 0.09 0.00 -0.00 0.00 0.00 57.72 54.87 3d7o n HIS 72 Cb 0.43 -0.18 0.57 0.00 -0.00 0.00 0.00 29.99 30.81 3d7o n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 3d7o h VAL 73 N 2.75 0.81 -0.13 1.59 3.04 -1.23 -1.19 116.25 121.89 3d7o h VAL 73 Ca 0.18 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3d7o h VAL 73 Cb 1.03 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3d7o h VAL 73 CO 0.73 0.21 0.00 0.47 -1.01 0.00 0.00 177.57 177.97 3d7o n ASP 74 N -3.79 1.94 -2.78 3.17 10.43 -1.26 -4.04 116.55 120.21 3d7o n ASP 74 Ca -0.02 -1.70 -0.01 0.00 2.57 0.00 0.00 54.79 55.63 3d7o n ASP 74 Cb 0.31 -0.08 0.07 0.00 1.84 0.00 0.00 41.12 43.26 3d7o n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3d7o n ASP 75 N 0.50 0.74 -0.32 -2.24 4.64 -0.49 -4.97 116.55 114.42 3d7o n ASP 75 Ca 0.17 -2.13 -0.04 0.00 -1.38 0.00 0.00 54.79 51.42 3d7o n ASP 75 Cb 0.39 -0.16 0.08 0.00 -1.04 0.00 0.00 41.12 40.39 3d7o n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 3d7o h MET 76 N 2.23 1.17 -0.94 -0.67 2.86 -1.60 -1.61 114.93 116.37 3d7o h MET 76 Ca -0.22 -0.10 0.09 0.00 -2.06 0.00 0.00 59.70 57.41 3d7o h MET 76 Cb 1.27 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 32.62 3d7o h MET 76 CO 0.11 0.82 0.61 -1.35 1.06 0.00 0.00 176.91 178.15 3d7o h PRO 77 N 1.19 0.96 -0.01 -0.22 0.11 -1.93 0.12 132.00 132.22 3d7o h PRO 77 Ca 0.31 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 3d7o h PRO 77 Cb -0.05 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.84 3d7o h PRO 77 CO -0.06 0.64 -0.09 -0.97 -0.21 0.00 0.00 178.00 177.31 3d7o h ASN 78 N 0.99 0.10 -0.97 -2.05 -1.24 -1.88 -2.36 115.58 108.18 3d7o h ASN 78 Ca 0.43 -0.72 0.09 0.00 0.71 0.00 0.00 56.30 56.81 3d7o h ASN 78 Cb 0.35 -0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.29 3d7o h ASN 78 CO -0.19 0.80 0.61 0.00 -1.29 0.00 0.00 177.43 177.36 3d7o h ALA 79 N 0.30 1.39 -0.62 1.57 0.00 -0.98 -2.81 119.26 118.10 3d7o h ALA 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d7o h ALA 79 Cb 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3d7o h ALA 79 CO 0.02 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.85 3d7o n LEU 80 N -4.59 4.00 -0.11 0.00 4.77 0.00 -4.64 117.00 116.44 3d7o n LEU 80 Ca 0.16 -2.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.04 3d7o n LEU 80 Cb 0.26 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3d7o n LEU 80 CO 0.30 0.80 0.92 0.77 -1.33 0.00 0.00 177.39 178.84 3d7o h SER 81 N 3.76 0.45 -0.80 -1.43 4.64 -1.15 0.19 113.55 119.21 3d7o h SER 81 Ca 0.00 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3d7o h SER 81 Cb 1.15 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 3d7o h SER 81 CO 0.12 0.47 0.53 0.00 -0.87 0.00 0.00 176.83 177.08 3d7o h ALA 82 N 1.00 1.03 -0.45 5.18 0.00 -1.82 -1.93 119.26 122.26 3d7o h ALA 82 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3d7o h ALA 82 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d7o h ALA 82 CO -0.01 0.39 -0.05 -0.07 0.00 0.00 0.00 179.25 179.51 3d7o h LEU 83 N 1.06 0.75 -0.27 0.00 4.07 -1.78 -2.06 115.31 117.08 3d7o h LEU 83 Ca 0.30 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.07 3d7o h LEU 83 Cb -0.07 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 3d7o h LEU 83 CO -0.08 0.85 0.16 0.28 -1.08 0.00 0.00 178.44 178.57 3d7o h SER 84 N 0.72 0.27 0.00 -0.43 0.02 -0.21 -0.77 113.55 113.13 3d7o h SER 84 Ca 0.13 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3d7o h SER 84 Cb 0.51 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3d7o h SER 84 CO 0.03 0.20 -0.11 0.44 -1.14 0.00 0.00 176.83 176.25 3d7o h ASP 85 N 0.33 -0.31 -0.17 3.07 3.32 -1.28 -1.86 116.42 119.52 3d7o h ASP 85 Ca 0.10 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.25 3d7o h ASP 85 Cb -0.01 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 3d7o h ASP 85 CO -0.04 -0.16 -0.14 0.25 -1.72 0.00 0.00 179.24 177.43 3d7o h LEU 86 N -0.19 -0.44 -0.35 1.55 5.85 -1.25 -0.21 115.31 120.28 3d7o h LEU 86 Ca 0.04 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 3d7o h LEU 86 Cb 0.24 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3d7o h LEU 86 CO -0.11 -0.18 -0.45 0.45 -0.34 0.00 0.00 178.44 177.82 3d7o h HIS 87 N -0.15 1.13 0.07 1.25 3.86 -1.00 -0.53 115.15 119.79 3d7o h HIS 87 Ca 0.11 -0.36 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3d7o h HIS 87 Cb 0.30 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3d7o h HIS 87 CO -0.28 1.20 -0.03 0.00 0.86 0.00 0.00 177.93 179.68 3d7o h ALA 88 N 0.74 -0.09 0.03 2.45 0.00 -1.38 0.95 119.26 121.95 3d7o h ALA 88 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3d7o h ALA 88 Cb 1.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3d7o h ALA 88 CO 0.11 -0.19 -0.59 0.45 0.00 0.00 0.00 179.25 179.03 3d7o h HIS 89 N -0.82 0.12 0.06 0.00 3.86 -1.13 -3.02 115.15 114.23 3d7o h HIS 89 Ca -0.01 -0.09 -0.22 0.00 -1.16 0.00 0.00 60.37 58.89 3d7o h HIS 89 Cb 0.62 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 3d7o h HIS 89 CO 0.14 1.23 -1.17 -0.22 0.86 0.00 0.00 177.93 178.76 3d7o h LYS 90 N -0.83 0.14 0.00 2.45 3.64 -1.53 -3.39 116.57 117.04 3d7o h LYS 90 Ca -0.14 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3d7o h LYS 90 Cb 1.25 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3d7o h LYS 90 CO -0.03 1.11 -0.84 -0.07 -2.27 0.00 0.00 179.45 177.36 3d7o h LEU 91 N -0.60 0.00 -1.93 5.20 3.38 -1.20 -3.48 115.31 116.68 3d7o h LEU 91 Ca -0.28 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.26 3d7o h LEU 91 Cb 1.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.31 3d7o h LEU 91 CO -0.03 0.10 -0.85 0.54 0.09 0.00 0.00 178.44 178.29 3d7o n ARG 92 N -2.81 -4.24 -2.56 1.13 5.12 -0.85 -4.88 116.66 107.58 3d7o n ARG 92 Ca -0.00 0.57 -0.43 0.00 -1.93 0.00 0.00 57.85 56.06 3d7o n ARG 92 Cb 0.59 -4.99 -0.02 0.00 -1.16 0.00 0.00 32.46 26.88 3d7o n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3d7o s VAL 93 N -3.71 4.49 0.19 1.55 1.01 0.27 -4.97 120.40 119.23 3d7o s VAL 93 Ca 0.05 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 63.49 3d7o s VAL 93 Cb -0.01 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 3d7o s VAL 93 CO 0.83 -0.03 1.74 -0.67 0.00 0.00 0.00 175.10 176.97 3d7o n ASP 94 N 5.40 3.96 -0.20 3.32 -0.08 -1.26 -4.85 116.55 122.83 3d7o n ASP 94 Ca 0.11 1.05 0.19 0.00 -1.51 0.00 0.00 54.79 54.63 3d7o n ASP 94 Cb 0.47 -1.56 0.55 0.00 2.34 0.00 0.00 41.12 42.92 3d7o n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3d7o h PRO 95 N 7.07 0.32 -0.43 -0.67 0.11 -1.99 -0.30 132.00 136.11 3d7o h PRO 95 Ca -0.44 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.76 3d7o h PRO 95 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3d7o h PRO 95 CO 0.95 0.21 0.30 0.28 -0.21 0.00 0.00 178.00 179.54 3d7o h VAL 96 N 0.33 0.84 0.00 3.15 2.07 -2.03 -2.36 116.25 118.25 3d7o h VAL 96 Ca 0.42 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.86 3d7o h VAL 96 Cb 1.13 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3d7o h VAL 96 CO -0.13 0.02 -0.19 0.78 0.02 0.00 0.00 177.57 178.07 3d7o h ASN 97 N 0.11 0.00 -0.54 0.57 2.35 -1.41 -1.89 115.58 114.78 3d7o h ASN 97 Ca 0.20 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3d7o h ASN 97 Cb 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3d7o h ASN 97 CO -0.02 0.19 0.10 -0.26 -1.65 0.00 0.00 177.43 175.79 3d7o h PHE 98 N 0.00 0.97 -0.54 1.19 0.04 -1.56 -1.44 116.94 115.60 3d7o h PHE 98 Ca -0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 3d7o h PHE 98 Cb 0.69 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3d7o h PHE 98 CO 0.00 0.83 0.02 0.87 -0.60 0.00 0.00 178.31 179.43 3d7o h LYS 99 N 0.88 0.90 -0.18 1.51 1.57 -1.47 -0.14 116.57 119.64 3d7o h LYS 99 Ca 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3d7o h LYS 99 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3d7o h LYS 99 CO 0.01 0.88 0.00 -0.07 -0.57 0.00 0.00 179.45 179.70 3d7o h LEU 100 N 0.84 0.31 -0.41 2.94 3.38 -1.29 -0.92 115.31 120.15 3d7o h LEU 100 Ca 0.16 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3d7o h LEU 100 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3d7o h LEU 100 CO 0.02 0.54 0.00 0.25 0.09 0.00 0.00 178.44 179.34 3d7o h LEU 101 N 0.07 0.71 -0.56 1.67 5.85 -1.24 -1.81 115.31 120.00 3d7o h LEU 101 Ca 0.05 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3d7o h LEU 101 Cb 0.38 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3d7o h LEU 101 CO 0.01 0.84 0.17 0.28 -0.34 0.00 0.00 178.44 179.40 3d7o h SER 102 N 0.56 0.12 -0.41 1.25 0.02 -0.97 0.15 113.55 114.27 3d7o h SER 102 Ca 0.12 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3d7o h SER 102 Cb 0.47 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3d7o h SER 102 CO 0.02 0.08 0.24 -0.74 -1.14 0.00 0.00 176.83 175.30 3d7o h HIS 103 N 0.33 0.46 -0.16 3.45 -0.00 -1.04 -1.32 115.15 116.87 3d7o h HIS 103 Ca 0.28 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.59 3d7o h HIS 103 Cb 0.36 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 3d7o h HIS 103 CO -0.19 0.27 -0.24 0.00 -0.00 0.00 0.00 177.93 177.76 3d7o h LEU 105 N 0.26 0.84 -0.41 0.00 3.38 -0.37 -1.72 115.31 117.28 3d7o h LEU 105 Ca 0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3d7o h LEU 105 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3d7o h LEU 105 CO 0.04 0.92 0.19 -0.07 0.09 0.00 0.00 178.44 179.61 3d7o h LEU 106 N 0.73 0.55 -0.66 1.67 3.38 -0.79 -1.78 115.31 118.40 3d7o h LEU 106 Ca 0.15 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3d7o h LEU 106 Cb 0.47 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3d7o h LEU 106 CO 0.02 0.53 0.42 0.58 0.09 0.00 0.00 178.44 180.08 3d7o h VAL 107 N 0.52 1.09 -0.31 1.22 2.07 -0.86 0.11 116.25 120.10 3d7o h VAL 107 Ca 0.14 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3d7o h VAL 107 Cb 0.14 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3d7o h VAL 107 CO -0.02 0.15 0.15 0.74 0.02 0.00 0.00 177.57 178.61 3d7o h THR 108 N 0.82 1.15 -0.39 2.57 2.02 -1.15 -0.05 112.91 117.89 3d7o h THR 108 Ca 0.26 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3d7o h THR 108 Cb 0.01 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3d7o h THR 108 CO -0.10 0.16 0.21 -0.07 0.37 0.00 0.00 175.52 176.08 3d7o h LEU 109 N 0.36 0.48 -1.05 2.58 3.38 -0.94 -2.18 115.31 117.95 3d7o h LEU 109 Ca 0.11 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3d7o h LEU 109 Cb 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3d7o h LEU 109 CO -0.01 0.44 0.64 0.00 0.09 0.00 0.00 178.44 179.59 3d7o h ALA 110 N 1.07 1.40 0.00 1.53 0.00 -0.45 0.23 119.26 123.04 3d7o h ALA 110 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d7o h ALA 110 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3d7o h ALA 110 CO -0.02 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.63 3d7o h ALA 111 N 1.45 1.03 -0.00 0.00 0.00 -0.59 -3.26 119.26 117.88 3d7o h ALA 111 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3d7o h ALA 111 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3d7o h ALA 111 CO -0.14 0.11 -0.26 0.72 0.00 0.00 0.00 179.25 179.67 3d7o n HIS 112 N -3.23 0.00 -3.39 0.00 -0.00 -0.62 -4.82 115.22 103.16 3d7o n HIS 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 3d7o n HIS 112 Cb 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.25 3d7o n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3d7o n LEU 113 N -0.77 3.15 -0.11 2.41 4.77 0.73 -4.94 117.00 122.23 3d7o n LEU 113 Ca 0.02 -5.31 -0.06 0.00 -0.03 0.00 0.00 56.01 50.63 3d7o n LEU 113 Cb 0.14 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3d7o n LEU 113 CO 0.13 2.06 0.92 1.55 -1.33 0.00 0.00 177.39 180.72 3d7o h PRO 114 N 4.17 0.24 -0.14 3.23 0.13 -1.85 -1.68 132.00 136.10 3d7o h PRO 114 Ca 0.18 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.10 3d7o h PRO 114 Cb 0.70 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.78 3d7o h PRO 114 CO 0.77 0.16 -0.67 0.00 -0.23 0.00 0.00 178.00 178.03 3d7o h ALA 115 N 1.26 0.27 -0.07 -0.56 0.00 -1.96 -3.35 119.26 114.85 3d7o h ALA 115 Ca 0.18 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3d7o h ALA 115 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3d7o h ALA 115 CO -0.20 0.57 -0.69 1.49 0.00 0.00 0.00 179.25 180.41 3d7o h GLU 116 N 0.39 0.31 -3.11 0.00 4.57 -1.92 -3.37 114.58 111.44 3d7o h GLU 116 Ca -0.04 -0.24 -0.65 0.00 -1.18 0.00 0.00 59.36 57.24 3d7o h GLU 116 Cb 1.31 0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.97 3d7o h GLU 116 CO 0.14 0.88 3.73 0.34 -1.18 0.00 0.00 179.01 182.92 3d7o n PHE 117 N -3.83 2.43 -1.55 0.92 7.35 -0.65 -4.67 117.46 117.46 3d7o n PHE 117 Ca -0.03 -3.01 -0.29 0.00 -0.76 0.00 0.00 57.45 53.35 3d7o n PHE 117 Cb 0.68 -2.45 0.11 0.00 0.35 0.00 0.00 39.48 38.17 3d7o n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d7o s THR 118 N 2.34 2.64 0.28 -2.13 -4.23 -1.26 -4.76 115.64 108.52 3d7o s THR 118 Ca 0.66 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 3d7o s THR 118 Cb 0.17 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.32 3d7o s THR 118 CO -0.06 -0.27 1.76 -0.65 -0.54 0.00 0.00 174.62 174.86 3d7o h PRO 119 N -1.25 0.64 -0.41 3.99 0.11 -1.98 0.63 132.00 133.73 3d7o h PRO 119 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3d7o h PRO 119 Cb 1.29 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3d7o h PRO 119 CO 0.60 0.43 -0.02 0.00 -0.21 0.00 0.00 178.00 178.80 3d7o h ALA 120 N 1.60 0.55 -0.27 -0.75 0.00 -1.95 -1.52 119.26 116.92 3d7o h ALA 120 Ca 0.51 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 3d7o h ALA 120 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3d7o h ALA 120 CO -0.38 0.36 -0.58 0.28 0.00 0.00 0.00 179.25 178.92 3d7o h VAL 121 N 0.56 1.27 -0.15 0.00 2.07 -1.70 -1.25 116.25 117.05 3d7o h VAL 121 Ca 0.11 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 65.91 3d7o h VAL 121 Cb 0.52 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3d7o h VAL 121 CO 0.03 0.58 -0.18 -0.74 0.02 0.00 0.00 177.57 177.27 3d7o h HIS 122 N 0.65 -0.47 -0.09 1.57 6.17 -0.87 0.83 115.15 122.94 3d7o h HIS 122 Ca 0.00 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.14 3d7o h HIS 122 Cb 1.20 0.23 -0.06 0.00 2.52 0.00 0.00 27.41 31.29 3d7o h HIS 122 CO 0.07 -0.26 -0.52 0.00 0.71 0.00 0.00 177.93 177.94 3d7o h ALA 123 N 0.83 -0.84 -0.76 5.26 0.00 -0.97 0.77 119.26 123.54 3d7o h ALA 123 Ca 0.11 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3d7o h ALA 123 Cb 0.37 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3d7o h ALA 123 CO -0.28 -1.06 0.41 0.77 0.00 0.00 0.00 179.25 179.09 3d7o h SER 124 N -0.59 0.58 -0.55 0.00 0.02 -0.85 -0.76 113.55 111.40 3d7o h SER 124 Ca 0.04 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3d7o h SER 124 Cb 0.69 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3d7o h SER 124 CO -0.41 0.34 0.21 -0.07 -1.14 0.00 0.00 176.83 175.77 3d7o h LEU 125 N 0.71 0.76 -0.62 5.07 3.38 -0.50 -0.25 115.31 123.87 3d7o h LEU 125 Ca 0.36 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3d7o h LEU 125 Cb 0.32 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3d7o h LEU 125 CO -0.24 0.73 0.29 -0.78 0.09 0.00 0.00 178.44 178.54 3d7o h ASP 126 N 0.75 0.37 -0.57 -0.43 1.82 0.02 -0.34 116.42 118.04 3d7o h ASP 126 Ca 0.18 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.81 3d7o h ASP 126 Cb 0.22 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 3d7o h ASP 126 CO -0.01 0.23 0.09 0.11 -1.61 0.00 0.00 179.24 178.05 3d7o h LYS 127 N 0.52 0.95 -0.03 0.28 1.57 -0.80 0.01 116.57 119.07 3d7o h LYS 127 Ca 0.30 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3d7o h LYS 127 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3d7o h LYS 127 CO -0.24 0.91 -0.06 0.35 -0.57 0.00 0.00 179.45 179.83 3d7o h PHE 128 N 0.84 -0.14 -0.24 -1.35 3.57 -0.73 0.11 116.94 119.00 3d7o h PHE 128 Ca 0.17 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3d7o h PHE 128 Cb 0.42 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3d7o h PHE 128 CO 0.03 -0.09 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.56 3d7o h LEU 129 N -0.09 0.59 -1.08 0.59 3.38 -0.89 -0.87 115.31 116.93 3d7o h LEU 129 Ca 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3d7o h LEU 129 Cb 0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3d7o h LEU 129 CO -0.08 0.92 0.40 0.00 0.09 0.00 0.00 178.44 179.77 3d7o h ALA 130 N 1.11 1.30 -0.33 1.53 0.00 -0.83 -0.27 119.26 121.76 3d7o h ALA 130 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3d7o h ALA 130 Cb 0.89 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3d7o h ALA 130 CO 0.08 0.57 -0.06 0.77 0.00 0.00 0.00 179.25 180.60 3d7o h SER 131 N 1.05 0.63 -0.25 0.00 0.02 -0.23 -0.13 113.55 114.64 3d7o h SER 131 Ca 0.26 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3d7o h SER 131 Cb 0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3d7o h SER 131 CO -0.04 0.84 0.12 0.58 -1.14 0.00 0.00 176.83 177.19 3d7o h VAL 132 N 0.42 0.99 -0.82 2.27 2.07 -1.07 -1.71 116.25 118.41 3d7o h VAL 132 Ca 0.09 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3d7o h VAL 132 Cb 0.55 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3d7o h VAL 132 CO 0.03 0.05 0.51 0.28 0.02 0.00 0.00 177.57 178.46 3d7o h SER 133 N 0.26 0.81 -0.39 0.57 0.02 -0.90 -0.22 113.55 113.71 3d7o h SER 133 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3d7o h SER 133 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3d7o h SER 133 CO -0.07 0.53 0.25 0.74 -1.14 0.00 0.00 176.83 177.14 3d7o h THR 134 N 0.95 1.11 -0.23 -2.27 2.02 -0.64 -0.70 112.91 113.16 3d7o h THR 134 Ca 0.35 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3d7o h THR 134 Cb 0.12 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3d7o h THR 134 CO -0.16 0.11 0.14 0.58 0.37 0.00 0.00 175.52 176.56 3d7o h VAL 135 N 0.52 1.04 0.00 3.16 2.07 -0.97 -2.58 116.25 119.49 3d7o h VAL 135 Ca 0.14 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3d7o h VAL 135 Cb -0.04 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3d7o h VAL 135 CO -0.03 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.79 3d7o n LEU 136 N -4.95 0.09 -0.87 2.57 4.77 -0.12 -1.94 117.00 116.55 3d7o n LEU 136 Ca -0.02 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 3d7o n LEU 136 Cb 0.04 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.84 3d7o n LEU 136 CO 0.33 -0.21 0.68 0.35 -1.33 0.00 0.00 177.39 177.21 3d7o n THR 137 N -1.59 1.46 0.92 -5.08 -2.24 -0.31 -4.39 114.28 103.05 3d7o n THR 137 Ca 0.04 -1.26 0.14 0.00 -2.27 0.00 0.00 64.05 60.70 3d7o n THR 137 Cb 0.23 0.25 0.58 0.00 -2.10 0.00 0.00 70.33 69.28 3d7o n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d7o n SER 138 N 0.37 0.12 -0.04 3.42 3.41 -0.82 -4.29 113.62 115.80 3d7o n SER 138 Ca 0.17 0.51 -0.20 0.00 -0.26 0.00 0.00 58.87 59.08 3d7o n SER 138 Cb 0.62 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 63.90 3d7o n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d7o n LYS 139 N -1.61 0.72 -1.11 4.33 4.76 -1.26 -4.94 118.16 119.05 3d7o n LYS 139 Ca 0.07 0.23 -0.43 0.00 -2.87 0.00 0.00 58.31 55.30 3d7o n LYS 139 Cb 0.35 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 3d7o n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3d7o n TYR 140 N -3.44 0.46 -0.61 2.13 4.02 -1.26 -5.00 117.16 113.45 3d7o n TYR 140 Ca -0.37 0.78 0.00 0.00 -0.01 0.00 0.00 57.90 58.31 3d7o n TYR 140 Cb 1.02 -1.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 3d7o n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72