#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lft n LEU 2 N 0.00 -1.81 -4.81 6.55 4.77 -1.26 -5.07 117.00 115.37 1lft n LEU 2 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1lft n LEU 2 Cb 0.00 -0.91 0.08 0.00 -2.33 0.00 0.00 43.42 40.26 1lft n LEU 2 CO 0.00 0.00 0.71 -0.94 -1.33 0.00 0.00 177.39 175.83 1lft s SER 3 N 0.00 4.72 0.65 -1.43 1.04 -1.26 -4.76 113.70 112.66 1lft s SER 3 Ca 0.00 1.39 0.37 0.00 0.48 0.00 0.00 55.95 58.19 1lft s SER 3 Cb 0.00 -2.16 2.04 0.00 0.10 0.00 0.00 66.02 66.00 1lft s SER 3 CO 0.00 -1.83 2.18 1.55 0.98 0.00 0.00 173.24 176.12 1lft h PRO 4 N -0.99 0.00 0.19 4.02 0.13 -1.99 0.32 132.00 133.67 1lft h PRO 4 Ca -0.46 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.37 1lft h PRO 4 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1lft h PRO 4 CO 0.59 0.00 -1.35 0.00 -0.23 0.00 0.00 178.00 177.00 1lft h ALA 5 N 1.75 -0.02 -0.08 -0.56 0.00 -1.99 -2.83 119.26 115.52 1lft h ALA 5 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1lft h ALA 5 Cb 0.29 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1lft h ALA 5 CO -0.00 0.85 -0.00 -0.44 0.00 0.00 0.00 179.25 179.65 1lft h ASP 6 N 0.11 0.15 -0.88 0.00 3.45 -1.32 0.55 116.42 118.48 1lft h ASP 6 Ca -0.19 -0.32 0.10 0.00 0.43 0.00 0.00 57.03 57.05 1lft h ASP 6 Cb 2.06 -0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 40.72 1lft h ASP 6 CO 0.24 0.43 0.52 0.11 -1.57 0.00 0.00 179.24 178.97 1lft h LYS 7 N -0.14 0.84 -0.33 3.56 1.57 -1.39 0.25 116.57 120.94 1lft h LYS 7 Ca 0.02 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1lft h LYS 7 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1lft h LYS 7 CO 0.00 0.56 -0.32 1.15 -0.57 0.00 0.00 179.45 180.27 1lft h THR 8 N 0.87 1.28 -0.31 -0.16 2.02 -1.29 -1.88 112.91 113.44 1lft h THR 8 Ca 0.42 -1.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1lft h THR 8 Cb 0.38 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1lft h THR 8 CO -0.25 0.48 -0.38 0.78 0.37 0.00 0.00 175.52 176.51 1lft h ASN 9 N 0.61 0.77 -0.19 4.18 -0.26 0.47 -2.66 115.58 118.49 1lft h ASN 9 Ca 0.07 -0.34 -0.19 0.00 -0.56 0.00 0.00 56.30 55.28 1lft h ASN 9 Cb 0.84 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.89 1lft h ASN 9 CO 0.07 1.07 -0.60 0.58 -1.06 0.00 0.00 177.43 177.48 1lft h VAL 10 N 0.60 1.30 -0.46 2.81 2.07 -0.46 -2.11 116.25 120.00 1lft h VAL 10 Ca 0.05 -1.82 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 1lft h VAL 10 Cb 0.92 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1lft h VAL 10 CO 0.08 0.58 -0.04 0.11 0.02 0.00 0.00 177.57 178.32 1lft h LYS 11 N 0.46 0.78 -0.13 1.57 1.57 -1.36 -0.76 116.57 118.69 1lft h LYS 11 Ca -0.02 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1lft h LYS 11 Cb 1.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1lft h LYS 11 CO 0.13 0.81 -0.36 0.00 -0.57 0.00 0.00 179.45 179.46 1lft h ALA 12 N 1.23 0.23 -0.53 3.86 0.00 -1.49 -1.49 119.26 121.07 1lft h ALA 12 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1lft h ALA 12 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1lft h ALA 12 CO 0.03 0.30 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 1lft h ALA 13 N 0.53 0.85 -0.28 0.00 0.00 -1.30 -2.03 119.26 117.02 1lft h ALA 13 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1lft h ALA 13 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lft h ALA 13 CO 0.08 0.65 -0.27 2.35 0.00 0.00 0.00 179.25 182.06 1lft h TRP 14 N 0.88 0.64 -0.32 0.00 2.91 -1.16 -2.90 115.95 116.01 1lft h TRP 14 Ca 0.14 -0.15 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1lft h TRP 14 Cb 0.63 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 1lft h TRP 14 CO 0.04 0.78 0.10 0.78 -1.03 0.00 0.00 178.44 179.11 1lft h GLY 15 N 1.02 0.39 2.00 2.65 0.00 -0.70 -0.14 103.07 108.28 1lft h GLY 15 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1lft h GLY 15 CO 0.06 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.89 1lft n LYS 16 N -5.04 0.05 0.04 4.80 4.76 -0.82 -1.46 118.16 120.49 1lft n LYS 16 Ca 0.00 0.53 -0.14 0.00 -2.87 0.00 0.00 58.31 55.83 1lft n LYS 16 Cb 0.12 -1.65 -0.14 0.00 -1.84 0.00 0.00 35.03 31.52 1lft n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1lft h VAL 17 N 0.00 1.10 0.00 -0.18 2.07 -0.99 -3.49 116.25 114.77 1lft h VAL 17 Ca 0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1lft h VAL 17 Cb 0.02 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1lft h VAL 17 CO 0.00 0.76 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1lft n GLY 18 N 1.63 2.15 0.00 2.17 0.00 -0.53 -0.99 105.19 109.62 1lft n GLY 18 Ca -0.16 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1lft n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lft n ALA 19 N 6.20 1.60 1.20 4.61 0.00 -1.26 -1.91 120.51 130.96 1lft n ALA 19 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1lft n ALA 19 Cb 0.00 -1.08 0.35 0.00 0.00 0.00 0.00 19.45 18.72 1lft n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lft n HIS 20 N -1.10 0.00 -0.15 0.00 -0.00 -0.16 -4.41 115.22 109.39 1lft n HIS 20 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.62 1lft n HIS 20 Cb 0.03 -0.14 -0.09 0.00 -0.00 0.00 0.00 29.99 29.78 1lft n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lft h ALA 21 N 3.56 -0.74 -0.70 -1.41 0.00 -1.46 0.93 119.26 119.43 1lft h ALA 21 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1lft h ALA 21 Cb 0.50 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.32 1lft h ALA 21 CO 0.00 -1.01 0.16 0.78 0.00 0.00 0.00 179.25 179.18 1lft h GLY 22 N -0.35 0.95 0.93 0.00 0.00 -1.86 0.15 103.07 102.90 1lft h GLY 22 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1lft h GLY 22 CO -0.59 -0.18 0.09 0.83 0.00 0.00 0.00 176.54 176.69 1lft h GLU 23 N 0.26 0.24 0.00 4.80 5.08 -1.47 -2.62 114.58 120.88 1lft h GLU 23 Ca 0.39 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1lft h GLU 23 Cb 0.65 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1lft h GLU 23 CO -0.49 0.25 -0.11 1.88 -1.00 0.00 0.00 179.01 179.54 1lft h TYR 24 N 0.17 0.00 -0.42 4.33 0.99 0.04 -1.98 116.97 120.09 1lft h TYR 24 Ca 0.06 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.68 1lft h TYR 24 Cb 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1lft h TYR 24 CO -0.04 0.11 -0.16 0.78 -0.00 0.00 0.00 178.16 178.85 1lft h GLY 25 N 0.36 0.92 2.00 3.88 0.00 -0.64 -2.31 103.07 107.28 1lft h GLY 25 Ca -0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 1lft h GLY 25 CO 0.01 0.73 -0.38 0.00 0.00 0.00 0.00 176.54 176.90 1lft h ALA 26 N 0.84 1.26 -0.09 3.60 0.00 -1.12 -2.76 119.26 120.99 1lft h ALA 26 Ca 0.10 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1lft h ALA 26 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lft h ALA 26 CO 0.05 0.48 -0.79 1.49 0.00 0.00 0.00 179.25 180.49 1lft h GLU 27 N 0.00 0.53 -0.36 0.00 4.81 -1.15 -2.35 114.58 116.07 1lft h GLU 27 Ca -0.00 -0.46 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 1lft h GLU 27 Cb 0.73 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1lft h GLU 27 CO 0.05 1.09 -0.26 0.00 -0.73 0.00 0.00 179.01 179.16 1lft h ALA 28 N 0.77 0.52 -0.10 2.92 0.00 -1.31 -1.22 119.26 120.85 1lft h ALA 28 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1lft h ALA 28 Cb 1.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1lft h ALA 28 CO 0.14 0.52 0.02 -0.07 0.00 0.00 0.00 179.25 179.86 1lft h LEU 29 N 0.61 0.01 -0.47 0.00 3.38 -1.49 -0.24 115.31 117.11 1lft h LEU 29 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1lft h LEU 29 Cb 0.82 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1lft h LEU 29 CO 0.07 0.02 0.26 -0.08 0.09 0.00 0.00 178.44 178.80 1lft h GLU 30 N 0.06 0.50 -0.51 1.13 4.81 -1.34 -0.74 114.58 118.49 1lft h GLU 30 Ca 0.04 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1lft h GLU 30 Cb 0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1lft h GLU 30 CO -0.05 0.33 0.34 0.00 -0.73 0.00 0.00 179.01 178.90 1lft h ARG 31 N 0.52 0.57 -0.07 1.92 3.08 -0.78 -2.28 114.38 117.33 1lft h ARG 31 Ca 0.19 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.97 1lft h ARG 31 Cb 0.06 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.99 1lft h ARG 31 CO -0.11 0.38 -0.91 1.98 -1.07 0.00 0.00 179.97 180.23 1lft h MET 32 N 0.59 0.72 -0.51 0.04 4.05 -0.09 -1.61 114.93 118.13 1lft h MET 32 Ca 0.21 -0.68 -0.08 0.00 -0.28 0.00 0.00 59.70 58.86 1lft h MET 32 Cb 0.10 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1lft h MET 32 CO -0.05 1.28 -0.01 0.74 0.23 0.00 0.00 176.91 179.09 1lft h PHE 33 N 0.45 0.92 0.23 1.39 0.04 -0.76 0.17 116.94 119.39 1lft h PHE 33 Ca -0.09 -0.14 -0.31 0.00 2.80 0.00 0.00 57.97 60.23 1lft h PHE 33 Cb 1.55 -0.25 0.04 0.00 2.20 0.00 0.00 35.95 39.49 1lft h PHE 33 CO 0.09 0.84 -1.38 -0.07 -0.60 0.00 0.00 178.31 177.20 1lft h LEU 34 N 0.79 0.78 -0.07 1.54 4.07 -1.48 -3.19 115.31 117.75 1lft h LEU 34 Ca 0.15 -0.93 -0.22 0.00 0.08 0.00 0.00 57.88 56.96 1lft h LEU 34 Cb 0.49 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 41.99 1lft h LEU 34 CO 0.02 1.66 -0.82 0.28 -1.08 0.00 0.00 178.44 178.50 1lft h SER 35 N 0.05 0.84 -3.22 -0.43 0.02 -1.28 -3.38 113.55 106.15 1lft h SER 35 Ca -0.24 -0.69 -0.62 0.00 -0.84 0.00 0.00 61.79 59.40 1lft h SER 35 Cb 2.08 -0.25 -0.41 0.00 0.14 0.00 0.00 62.40 63.95 1lft h SER 35 CO 0.25 1.41 -0.64 -0.36 -1.14 0.00 0.00 176.83 176.35 1lft s PHE 36 N -3.51 3.08 0.54 3.45 0.40 0.57 -4.94 117.98 117.57 1lft s PHE 36 Ca -0.11 -3.12 0.29 0.00 -0.60 0.00 0.00 56.93 53.39 1lft s PHE 36 Cb 0.07 -2.43 1.45 0.00 0.51 0.00 0.00 43.02 42.62 1lft s PHE 36 CO 0.89 -0.63 1.93 -1.35 0.70 0.00 0.00 175.22 176.76 1lft h PRO 37 N 5.68 0.00 0.00 0.24 0.11 -1.73 -1.91 132.00 134.39 1lft h PRO 37 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1lft h PRO 37 Cb 0.81 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1lft h PRO 37 CO 0.65 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 176.07 1lft n THR 38 N -4.31 0.96 0.37 -1.15 5.66 -1.26 -1.51 114.28 113.04 1lft n THR 38 Ca 0.15 0.24 0.11 0.00 -3.05 0.00 0.00 64.05 61.50 1lft n THR 38 Cb 0.83 -1.12 -0.06 0.00 -1.55 0.00 0.00 70.33 68.43 1lft n THR 38 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1lft n THR 39 N -1.31 0.15 0.30 1.09 -2.24 -0.72 -4.18 114.28 107.38 1lft n THR 39 Ca 0.03 -0.34 0.18 0.00 -2.27 0.00 0.00 64.05 61.66 1lft n THR 39 Cb 0.06 0.16 0.95 0.00 -2.10 0.00 0.00 70.33 69.40 1lft n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lft h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.45 -2.82 116.57 113.09 1lft h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lft h LYS 40 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1lft h LYS 40 CO 0.00 0.03 0.00 -2.37 -0.57 0.00 0.00 179.45 176.54 1lft n THR 41 N -3.28 1.57 0.89 -0.16 5.66 -1.26 -1.45 114.28 116.25 1lft n THR 41 Ca -0.02 0.46 0.11 0.00 -3.05 0.00 0.00 64.05 61.56 1lft n THR 41 Cb 0.17 -1.40 0.10 0.00 -1.55 0.00 0.00 70.33 67.65 1lft n THR 41 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1lft n TYR 42 N -1.65 0.08 -2.80 1.09 4.01 -1.06 -4.44 117.16 112.39 1lft n TYR 42 Ca 0.01 0.02 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 1lft n TYR 42 Cb 0.06 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.82 1lft n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lft n PHE 43 N -1.63 3.36 -0.19 -0.72 3.01 -0.53 -4.86 117.46 115.90 1lft n PHE 43 Ca 0.04 -3.64 -0.07 0.00 1.01 0.00 0.00 57.45 54.80 1lft n PHE 43 Cb 0.36 -0.35 0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1lft n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1lft h PRO 44 N 2.85 0.77 -0.12 -1.08 0.11 -1.78 -2.35 132.00 130.41 1lft h PRO 44 Ca 0.17 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1lft h PRO 44 Cb 0.71 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1lft h PRO 44 CO 0.78 0.60 0.00 -2.39 -0.21 0.00 0.00 178.00 176.78 1lft n HIS 45 N -4.61 0.00 -4.27 0.65 1.44 -1.26 -4.75 115.22 102.41 1lft n HIS 45 Ca 0.03 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.47 1lft n HIS 45 Cb 0.09 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.09 1lft n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lft s PHE 46 N -1.81 2.65 -0.42 -1.40 2.99 -0.89 -5.08 117.98 114.02 1lft s PHE 46 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 56.93 56.56 1lft s PHE 46 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 43.02 41.72 1lft s PHE 46 CO 0.00 0.48 0.37 0.34 -0.00 0.00 0.00 175.22 176.42 1lft s ASP 47 N -2.65 6.15 -0.00 1.36 -1.08 -1.26 -4.94 116.67 114.24 1lft s ASP 47 Ca 0.24 -0.86 0.05 0.00 -0.52 0.00 0.00 52.55 51.45 1lft s ASP 47 Cb -0.09 -2.19 0.14 0.00 -1.46 0.00 0.00 42.92 39.31 1lft s ASP 47 CO 0.15 -0.53 1.10 0.18 0.52 0.00 0.00 175.17 176.58 1lft n LEU 48 N 5.36 0.87 -4.66 -1.34 4.32 -1.26 -4.60 117.00 115.70 1lft n LEU 48 Ca -0.10 -0.44 -0.29 0.00 -0.02 0.00 0.00 56.01 55.16 1lft n LEU 48 Cb 0.47 -0.12 0.17 0.00 -1.62 0.00 0.00 43.42 42.32 1lft n LEU 48 CO 0.44 0.21 0.63 -0.94 -1.22 0.00 0.00 177.39 176.51 1lft s SER 49 N -0.96 2.75 0.02 -1.43 1.04 -1.26 -4.93 113.70 108.93 1lft s SER 49 Ca 0.10 1.55 -0.05 0.00 0.48 0.00 0.00 55.95 58.03 1lft s SER 49 Cb 0.05 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1lft s SER 49 CO 0.07 -3.10 1.09 -0.74 0.98 0.00 0.00 173.24 171.53 1lft h HIS 50 N -1.87 -0.27 0.00 5.02 2.76 -2.02 -2.71 115.15 116.05 1lft h HIS 50 Ca -0.52 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1lft h HIS 50 Cb 1.30 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.39 1lft h HIS 50 CO 0.38 -0.08 0.00 0.41 -1.30 0.00 0.00 177.93 177.35 1lft n GLY 51 N -1.06 0.04 3.65 5.26 0.00 -1.26 -4.93 105.19 106.90 1lft n GLY 51 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 1lft n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lft n SER 52 N -0.27 1.49 0.23 1.61 2.88 -1.02 -4.82 113.62 113.73 1lft n SER 52 Ca 0.00 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.79 1lft n SER 52 Cb 0.09 -1.06 0.40 0.00 -0.75 0.00 0.00 64.21 62.89 1lft n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lft h ALA 53 N 5.26 0.97 -0.09 -1.46 0.00 -1.91 -1.47 119.26 120.56 1lft h ALA 53 Ca -0.47 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1lft h ALA 53 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1lft h ALA 53 CO 0.86 0.12 -0.28 1.96 0.00 0.00 0.00 179.25 181.91 1lft h GLN 54 N 0.00 0.35 0.00 0.00 4.20 -1.87 0.85 115.11 118.63 1lft h GLN 54 Ca -0.00 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 1lft h GLN 54 Cb 0.81 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1lft h GLN 54 CO 0.01 0.87 -0.37 0.28 -0.67 0.00 0.00 178.83 178.96 1lft h VAL 55 N -0.11 1.21 0.30 -0.54 2.07 -1.78 -0.64 116.25 116.76 1lft h VAL 55 Ca -0.01 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1lft h VAL 55 Cb 0.89 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1lft h VAL 55 CO 0.06 0.36 -0.14 0.50 0.02 0.00 0.00 177.57 178.36 1lft h LYS 56 N 0.00 -0.39 0.00 1.57 1.63 -1.12 -2.46 116.57 115.80 1lft h LYS 56 Ca -0.00 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1lft h LYS 56 Cb 0.67 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1lft h LYS 56 CO 0.05 -0.06 -0.03 0.78 -3.45 0.00 0.00 179.45 176.73 1lft h GLY 57 N -0.77 0.00 1.68 5.01 0.00 -0.63 -2.69 103.07 105.67 1lft h GLY 57 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 1lft h GLY 57 CO 0.07 0.00 -1.21 0.84 0.00 0.00 0.00 176.54 176.24 1lft h HIS 58 N 0.00 0.41 -0.66 5.60 -0.00 -1.07 -3.25 115.15 116.18 1lft h HIS 58 Ca -0.00 -0.30 0.01 0.00 -0.00 0.00 0.00 60.37 60.08 1lft h HIS 58 Cb 0.35 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 1lft h HIS 58 CO 0.00 1.24 0.44 0.78 -0.00 0.00 0.00 177.93 180.38 1lft h GLY 59 N 1.83 0.92 1.01 5.26 0.00 -1.09 -0.96 103.07 110.04 1lft h GLY 59 Ca -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1lft h GLY 59 CO 0.19 0.32 0.35 0.50 0.00 0.00 0.00 176.54 177.91 1lft h LYS 60 N 0.87 0.98 0.14 4.80 1.57 -1.59 0.16 116.57 123.50 1lft h LYS 60 Ca 0.25 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1lft h LYS 60 Cb -0.06 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1lft h LYS 60 CO -0.06 0.76 -0.07 0.87 -0.57 0.00 0.00 179.45 180.38 1lft h LYS 61 N 0.96 -0.18 -0.27 3.15 1.57 -1.28 0.21 116.57 120.73 1lft h LYS 61 Ca 0.24 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1lft h LYS 61 Cb 0.08 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1lft h LYS 61 CO -0.03 -0.10 0.13 0.28 -0.57 0.00 0.00 179.45 179.16 1lft h VAL 62 N -0.22 0.99 -0.40 0.50 2.07 -0.93 -1.83 116.25 116.43 1lft h VAL 62 Ca -0.02 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1lft h VAL 62 Cb 0.17 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1lft h VAL 62 CO 0.03 0.05 0.25 0.00 0.02 0.00 0.00 177.57 177.93 1lft h ALA 63 N 1.14 0.51 0.00 1.67 0.00 -0.48 -2.19 119.26 119.90 1lft h ALA 63 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1lft h ALA 63 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1lft h ALA 63 CO -0.08 -0.06 -0.10 -0.44 0.00 0.00 0.00 179.25 178.57 1lft h ASP 64 N 0.52 0.00 0.41 0.00 3.32 -0.32 -0.50 116.42 119.84 1lft h ASP 64 Ca 0.15 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.96 1lft h ASP 64 Cb -0.03 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.52 1lft h ASP 64 CO -0.05 0.10 -1.06 0.00 -1.72 0.00 0.00 179.24 176.51 1lft h ALA 65 N 1.90 0.25 -0.27 3.45 0.00 -0.75 -1.76 119.26 122.09 1lft h ALA 65 Ca -0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 54.91 53.99 1lft h ALA 65 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1lft h ALA 65 CO 0.01 0.85 -0.47 -0.07 0.00 0.00 0.00 179.25 179.58 1lft h LEU 66 N 0.19 0.76 -1.48 0.00 3.38 -0.81 -1.27 115.31 116.08 1lft h LEU 66 Ca -0.11 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1lft h LEU 66 Cb 1.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1lft h LEU 66 CO 0.18 1.11 0.04 0.74 0.09 0.00 0.00 178.44 180.60 1lft h THR 67 N 0.56 1.14 -0.33 0.22 2.02 -1.06 0.32 112.91 115.78 1lft h THR 67 Ca 0.03 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 1lft h THR 67 Cb 1.02 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1lft h THR 67 CO 0.10 0.18 -0.20 -1.13 0.37 0.00 0.00 175.52 174.84 1lft h ASN 68 N 0.38 0.74 -0.28 4.18 -0.73 -0.90 -1.86 115.58 117.10 1lft h ASN 68 Ca 0.09 -0.42 -0.02 0.00 1.87 0.00 0.00 56.30 57.82 1lft h ASN 68 Cb 0.19 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1lft h ASN 68 CO 0.00 1.00 0.10 0.00 -0.37 0.00 0.00 177.43 178.16 1lft h ALA 69 N 0.76 0.37 -0.44 1.57 0.00 0.05 -2.91 119.26 118.65 1lft h ALA 69 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1lft h ALA 69 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1lft h ALA 69 CO 0.06 -0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.62 1lft h VAL 70 N 0.30 1.21 -2.74 0.00 2.07 -0.41 -0.03 116.25 116.65 1lft h VAL 70 Ca 0.09 -0.82 -0.78 0.00 0.82 0.00 0.00 66.70 66.01 1lft h VAL 70 Cb 0.21 0.82 -0.30 0.00 -1.52 0.00 0.00 31.29 30.51 1lft h VAL 70 CO -0.01 0.29 0.65 0.00 0.02 0.00 0.00 177.57 178.53 1lft n ALA 71 N -2.47 5.19 0.00 1.67 0.00 -0.70 -3.64 120.51 120.56 1lft n ALA 71 Ca 0.03 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1lft n ALA 71 Cb 0.24 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1lft n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lft n HIS 72 N 1.06 0.00 -0.30 0.00 -0.00 -1.19 -4.81 115.22 109.98 1lft n HIS 72 Ca 0.29 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.17 1lft n HIS 72 Cb 0.33 0.00 0.42 0.00 -0.00 0.00 0.00 29.99 30.74 1lft n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1lft h VAL 73 N 0.00 0.71 0.00 1.59 3.04 -1.06 0.93 116.25 121.45 1lft h VAL 73 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1lft h VAL 73 Cb 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.34 1lft h VAL 73 CO 0.00 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.14 1lft n ASP 74 N -4.61 0.00 -2.70 3.17 10.43 -1.26 -3.58 116.55 117.99 1lft n ASP 74 Ca 0.21 -1.09 -0.07 0.00 2.57 0.00 0.00 54.79 56.41 1lft n ASP 74 Cb 0.62 0.00 0.12 0.00 1.84 0.00 0.00 41.12 43.70 1lft n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1lft n ASP 75 N -0.71 -1.82 0.18 -2.24 4.64 0.30 -5.00 116.55 111.90 1lft n ASP 75 Ca 0.07 -2.50 -0.14 0.00 -1.38 0.00 0.00 54.79 50.83 1lft n ASP 75 Cb 0.03 1.00 -0.08 0.00 -1.04 0.00 0.00 41.12 41.03 1lft n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1lft h MET 76 N 2.06 -0.38 -0.95 -0.67 2.86 -1.56 -2.45 114.93 113.84 1lft h MET 76 Ca -0.27 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1lft h MET 76 Cb 1.29 0.09 -0.17 0.00 0.06 0.00 0.00 31.60 32.87 1lft h MET 76 CO -0.05 -0.26 -0.29 -0.35 1.06 0.00 0.00 176.91 177.03 1lft n PRO 77 N -5.27 -0.14 -0.03 -0.22 -0.04 -1.26 0.04 135.00 128.08 1lft n PRO 77 Ca -0.10 1.47 -0.13 0.00 -0.04 0.00 0.00 63.50 64.70 1lft n PRO 77 Cb 0.18 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 1lft n PRO 77 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1lft h ASN 78 N 0.00 0.14 -0.93 3.54 -1.24 -1.96 -1.13 115.58 114.00 1lft h ASN 78 Ca 0.41 -0.56 0.08 0.00 0.71 0.00 0.00 56.30 56.94 1lft h ASN 78 Cb 0.64 -0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.59 1lft h ASN 78 CO -0.96 0.67 0.60 0.00 -1.29 0.00 0.00 177.43 176.45 1lft h ALA 79 N 0.47 1.53 -0.21 1.57 0.00 -0.47 -2.33 119.26 119.83 1lft h ALA 79 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lft h ALA 79 Cb 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1lft h ALA 79 CO 0.02 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1lft n LEU 80 N -4.52 3.00 -0.33 0.00 4.77 0.11 -4.55 117.00 115.48 1lft n LEU 80 Ca 0.15 -1.30 0.16 0.00 -0.03 0.00 0.00 56.01 54.99 1lft n LEU 80 Cb 0.25 -0.13 0.33 0.00 -2.33 0.00 0.00 43.42 41.54 1lft n LEU 80 CO 0.31 0.60 0.86 0.77 -1.33 0.00 0.00 177.39 178.61 1lft h SER 81 N 3.91 -0.28 0.04 -1.43 4.64 -0.61 0.14 113.55 119.96 1lft h SER 81 Ca 0.00 0.26 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1lft h SER 81 Cb 0.87 0.41 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1lft h SER 81 CO 0.00 -0.32 -0.18 0.00 -0.87 0.00 0.00 176.83 175.45 1lft h ALA 82 N 1.94 -0.26 0.00 5.18 0.00 -1.80 -1.87 119.26 122.44 1lft h ALA 82 Ca 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1lft h ALA 82 Cb 1.33 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1lft h ALA 82 CO -0.84 -0.69 -0.04 -0.07 0.00 0.00 0.00 179.25 177.60 1lft h LEU 83 N -0.32 0.00 0.32 0.00 3.38 -1.10 -2.80 115.31 114.79 1lft h LEU 83 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1lft h LEU 83 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1lft h LEU 83 CO -0.14 0.04 -0.15 0.28 0.09 0.00 0.00 178.44 178.56 1lft h SER 84 N 0.00 -0.36 -0.60 -0.43 0.02 -0.47 -1.68 113.55 110.03 1lft h SER 84 Ca -0.00 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1lft h SER 84 Cb 0.13 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1lft h SER 84 CO 0.01 -0.15 0.25 0.44 -1.14 0.00 0.00 176.83 176.24 1lft h ASP 85 N -0.57 0.30 -0.30 3.07 3.32 -1.36 0.37 116.42 121.24 1lft h ASP 85 Ca -0.04 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1lft h ASP 85 Cb 0.42 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1lft h ASP 85 CO 0.07 0.18 0.06 0.25 -1.72 0.00 0.00 179.24 178.09 1lft h LEU 86 N 0.46 0.54 0.00 1.55 7.12 -1.45 0.84 115.31 124.37 1lft h LEU 86 Ca 0.29 -0.09 -0.14 0.00 0.13 0.00 0.00 57.88 58.07 1lft h LEU 86 Cb 0.31 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 1lft h LEU 86 CO -0.26 0.57 -1.23 0.45 -0.13 0.00 0.00 178.44 177.84 1lft h HIS 87 N 0.57 0.00 0.00 1.25 3.86 -0.73 -2.77 115.15 117.32 1lft h HIS 87 Ca 0.13 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.99 1lft h HIS 87 Cb 0.27 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.67 1lft h HIS 87 CO 0.01 0.52 -2.33 0.00 0.86 0.00 0.00 177.93 176.99 1lft n ALA 88 N -2.35 1.50 -0.06 2.45 0.00 0.07 -1.59 120.51 120.52 1lft n ALA 88 Ca -0.07 -1.00 -0.06 0.00 0.00 0.00 0.00 53.44 52.32 1lft n ALA 88 Cb 0.80 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 1lft n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1lft h HIS 89 N -0.01 0.00 0.03 0.00 3.86 0.55 -3.33 115.15 116.25 1lft h HIS 89 Ca -0.52 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.69 1lft h HIS 89 Cb 1.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.28 1lft h HIS 89 CO 0.03 0.38 -0.01 -0.22 0.86 0.00 0.00 177.93 178.97 1lft h LYS 90 N -1.00 -0.04 -0.03 2.45 3.64 -1.61 -3.39 116.57 116.59 1lft h LYS 90 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1lft h LYS 90 Cb 0.41 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1lft h LYS 90 CO -0.01 -0.03 -0.40 -0.07 -2.27 0.00 0.00 179.45 176.68 1lft h LEU 91 N -0.54 0.06 -2.06 5.20 3.38 -1.71 -3.48 115.31 116.15 1lft h LEU 91 Ca -0.00 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.59 1lft h LEU 91 Cb 0.03 -0.02 0.13 0.00 0.09 0.00 0.00 40.66 40.89 1lft h LEU 91 CO 0.01 0.46 -0.83 0.54 0.09 0.00 0.00 178.44 178.71 1lft n ARG 92 N -4.05 -4.38 -2.39 1.13 5.12 -1.13 -4.92 116.66 106.04 1lft n ARG 92 Ca -0.02 0.73 -0.42 0.00 -1.93 0.00 0.00 57.85 56.21 1lft n ARG 92 Cb 0.44 -5.41 -0.03 0.00 -1.16 0.00 0.00 32.46 26.30 1lft n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1lft s VAL 93 N -3.49 3.99 0.15 1.55 1.01 -0.62 -4.97 120.40 118.02 1lft s VAL 93 Ca 0.16 1.41 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 1lft s VAL 93 Cb -0.03 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 1lft s VAL 93 CO 0.78 0.08 1.65 -0.67 0.00 0.00 0.00 175.10 176.93 1lft n ASP 94 N 4.29 3.38 -0.21 3.32 -0.08 -1.26 -4.84 116.55 121.14 1lft n ASP 94 Ca 0.10 1.06 0.19 0.00 -1.51 0.00 0.00 54.79 54.63 1lft n ASP 94 Cb 0.46 -1.46 0.52 0.00 2.34 0.00 0.00 41.12 42.98 1lft n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lft h PRO 95 N 6.50 0.37 -0.63 -0.67 0.11 -1.98 -1.84 132.00 133.86 1lft h PRO 95 Ca -0.45 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1lft h PRO 95 Cb 1.24 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1lft h PRO 95 CO 0.91 0.25 0.42 -0.24 -0.21 0.00 0.00 178.00 179.12 1lft h VAL 96 N 0.38 1.12 0.00 3.15 3.04 -2.03 -2.43 116.25 119.48 1lft h VAL 96 Ca 0.44 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 1lft h VAL 96 Cb 1.10 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1lft h VAL 96 CO -0.15 0.15 0.00 0.78 -1.01 0.00 0.00 177.57 177.34 1lft h ASN 97 N 0.80 0.00 0.73 3.17 -0.26 -1.70 -1.04 115.58 117.28 1lft h ASN 97 Ca 0.24 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.86 1lft h ASN 97 Cb -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1lft h ASN 97 CO -0.06 0.00 -0.61 -0.26 -1.06 0.00 0.00 177.43 175.44 1lft h PHE 98 N 0.00 0.00 -0.26 1.19 0.04 -1.59 -2.20 116.94 114.12 1lft h PHE 98 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1lft h PHE 98 Cb 0.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1lft h PHE 98 CO 0.00 0.61 -0.43 0.87 -0.60 0.00 0.00 178.31 178.75 1lft h LYS 99 N 0.00 0.75 -0.76 1.51 1.57 -1.33 -1.16 116.57 117.15 1lft h LYS 99 Ca -0.01 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1lft h LYS 99 Cb 1.14 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1lft h LYS 99 CO 0.08 1.09 0.31 -0.07 -0.57 0.00 0.00 179.45 180.29 1lft h LEU 100 N 0.50 1.04 -0.02 2.94 3.38 -1.44 -0.83 115.31 120.88 1lft h LEU 100 Ca 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1lft h LEU 100 Cb 1.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1lft h LEU 100 CO 0.10 0.93 -0.02 0.25 0.09 0.00 0.00 178.44 179.79 1lft h LEU 101 N 1.09 0.06 -1.04 1.67 5.85 -1.37 -2.46 115.31 119.11 1lft h LEU 101 Ca 0.25 -0.46 0.20 0.00 0.84 0.00 0.00 57.88 58.71 1lft h LEU 101 Cb 0.20 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 1lft h LEU 101 CO -0.02 0.51 0.61 0.28 -0.34 0.00 0.00 178.44 179.48 1lft h SER 102 N -0.39 0.75 -0.44 1.25 0.02 -0.99 0.92 113.55 114.67 1lft h SER 102 Ca 0.00 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1lft h SER 102 Cb 0.49 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1lft h SER 102 CO 0.01 0.25 0.09 -0.74 -1.14 0.00 0.00 176.83 175.30 1lft h HIS 103 N 0.72 0.76 -0.01 3.45 -0.00 -1.04 -2.41 115.15 116.63 1lft h HIS 103 Ca 0.58 -0.10 -0.07 0.00 -0.00 0.00 0.00 60.37 60.78 1lft h HIS 103 Cb 0.96 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1lft h HIS 103 CO -0.00 0.71 -0.33 0.00 -0.00 0.00 0.00 177.93 178.30 1lft h LEU 105 N 0.02 0.45 -0.16 0.00 -0.00 -0.73 -2.21 115.31 112.68 1lft h LEU 105 Ca 0.00 -0.15 -0.23 0.00 -0.00 0.00 0.00 57.88 57.50 1lft h LEU 105 Cb 0.61 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1lft h LEU 105 CO 0.04 0.71 -0.92 -0.07 -0.00 0.00 0.00 178.44 178.21 1lft h LEU 106 N 0.40 0.66 -0.72 1.67 3.38 -0.88 -1.60 115.31 118.21 1lft h LEU 106 Ca 0.06 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1lft h LEU 106 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1lft h LEU 106 CO 0.05 1.29 -0.11 0.58 0.09 0.00 0.00 178.44 180.34 1lft h VAL 107 N 0.31 1.26 0.29 1.22 2.07 -1.26 -1.79 116.25 118.35 1lft h VAL 107 Ca -0.08 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1lft h VAL 107 Cb 1.55 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1lft h VAL 107 CO 0.17 0.42 -0.14 0.74 0.02 0.00 0.00 177.57 178.78 1lft h THR 108 N 0.78 0.74 -0.50 2.57 2.02 -1.39 -1.16 112.91 115.97 1lft h THR 108 Ca 0.13 -0.52 0.07 0.00 0.77 0.00 0.00 66.41 66.86 1lft h THR 108 Cb 0.63 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 1lft h THR 108 CO 0.04 0.11 0.16 -0.07 0.37 0.00 0.00 175.52 176.13 1lft h LEU 109 N -0.68 0.13 -1.78 2.58 4.07 -1.29 -1.16 115.31 117.19 1lft h LEU 109 Ca -0.04 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1lft h LEU 109 Cb 0.47 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1lft h LEU 109 CO 0.07 0.10 -0.16 0.00 -1.08 0.00 0.00 178.44 177.37 1lft h ALA 110 N 1.35 1.37 -0.12 1.53 0.00 -1.28 -0.65 119.26 121.46 1lft h ALA 110 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1lft h ALA 110 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lft h ALA 110 CO -0.27 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1lft n ALA 111 N -2.34 2.55 0.00 0.00 0.00 -0.45 -3.94 120.51 116.33 1lft n ALA 111 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1lft n ALA 111 Cb 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1lft n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lft n HIS 112 N 0.06 0.00 -3.28 0.00 -0.00 -0.84 -4.92 115.22 106.24 1lft n HIS 112 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.63 1lft n HIS 112 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.19 1lft n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lft n LEU 113 N -0.45 1.58 0.21 2.41 4.77 -0.31 -4.95 117.00 120.27 1lft n LEU 113 Ca 0.00 -4.99 0.07 0.00 -0.03 0.00 0.00 56.01 51.06 1lft n LEU 113 Cb 0.00 0.12 0.58 0.00 -2.33 0.00 0.00 43.42 41.79 1lft n LEU 113 CO 0.00 2.06 1.06 1.55 -1.33 0.00 0.00 177.39 180.73 1lft h PRO 114 N 4.09 0.10 0.22 3.23 0.13 -1.85 -2.33 132.00 135.58 1lft h PRO 114 Ca 0.12 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.92 1lft h PRO 114 Cb 0.79 -0.02 0.04 0.00 0.13 0.00 0.00 31.00 31.94 1lft h PRO 114 CO 0.61 0.09 -1.42 0.00 -0.23 0.00 0.00 178.00 177.06 1lft h ALA 115 N 1.92 -0.12 0.00 -0.56 0.00 -1.95 -3.35 119.26 115.20 1lft h ALA 115 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1lft h ALA 115 Cb 0.04 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lft h ALA 115 CO -0.00 0.69 -0.21 0.39 0.00 0.00 0.00 179.25 180.12 1lft n GLU 116 N -3.74 0.25 -1.08 0.00 -0.58 -1.13 -4.40 120.64 109.96 1lft n GLU 116 Ca -0.16 0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1lft n GLU 116 Cb 1.07 -1.75 -0.15 0.00 -0.57 0.00 0.00 31.44 30.04 1lft n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1lft n PHE 117 N -2.16 0.27 -1.81 -0.32 7.35 -0.89 -4.73 117.46 115.17 1lft n PHE 117 Ca 0.05 -1.59 -0.32 0.00 -0.76 0.00 0.00 57.45 54.83 1lft n PHE 117 Cb 0.43 -1.59 0.03 0.00 0.35 0.00 0.00 39.48 38.71 1lft n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lft s THR 118 N 0.56 3.72 0.52 -2.13 -4.23 -1.26 -4.75 115.64 108.07 1lft s THR 118 Ca 0.66 0.72 0.31 0.00 -1.18 0.00 0.00 61.69 62.20 1lft s THR 118 Cb 0.33 -3.29 0.49 0.00 1.34 0.00 0.00 72.50 71.36 1lft s THR 118 CO -0.03 -0.57 1.86 -0.65 -0.54 0.00 0.00 174.62 174.69 1lft h PRO 119 N -0.06 0.05 -0.23 3.99 0.11 -1.98 0.94 132.00 134.83 1lft h PRO 119 Ca -0.46 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1lft h PRO 119 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1lft h PRO 119 CO 0.56 0.03 -0.10 0.00 -0.21 0.00 0.00 178.00 178.28 1lft h ALA 120 N 1.53 0.32 0.00 -0.75 0.00 -1.95 -1.72 119.26 116.69 1lft h ALA 120 Ca 0.47 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1lft h ALA 120 Cb 1.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1lft h ALA 120 CO -0.03 0.16 -0.40 0.28 0.00 0.00 0.00 179.25 179.26 1lft h VAL 121 N 0.19 0.92 -0.18 0.00 2.07 -1.37 -1.99 116.25 115.88 1lft h VAL 121 Ca 0.05 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1lft h VAL 121 Cb 0.59 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1lft h VAL 121 CO 0.03 0.39 0.00 -0.74 0.02 0.00 0.00 177.57 177.28 1lft h HIS 122 N 0.00 0.35 -0.54 1.57 6.17 -0.69 -0.12 115.15 121.88 1lft h HIS 122 Ca -0.00 -0.06 -0.10 0.00 0.71 0.00 0.00 60.37 60.92 1lft h HIS 122 Cb 0.93 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.75 1lft h HIS 122 CO 0.00 0.52 -0.05 0.00 0.71 0.00 0.00 177.93 179.11 1lft h ALA 123 N 0.79 0.90 0.16 5.26 0.00 -1.21 -2.45 119.26 122.70 1lft h ALA 123 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1lft h ALA 123 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lft h ALA 123 CO 0.01 0.64 -0.18 0.77 0.00 0.00 0.00 179.25 180.49 1lft h SER 124 N 0.87 -0.49 -0.28 0.00 0.02 -1.10 -1.45 113.55 111.13 1lft h SER 124 Ca 0.15 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1lft h SER 124 Cb 0.58 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1lft h SER 124 CO 0.03 -0.27 0.13 -0.07 -1.14 0.00 0.00 176.83 175.51 1lft h LEU 125 N -0.38 0.18 -0.56 5.07 4.07 -0.98 -1.71 115.31 121.00 1lft h LEU 125 Ca 0.01 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1lft h LEU 125 Cb 0.37 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.02 1lft h LEU 125 CO -0.06 0.14 0.15 -0.78 -1.08 0.00 0.00 178.44 176.81 1lft h ASP 126 N 0.27 0.08 -0.63 -0.43 1.82 -1.24 0.34 116.42 116.64 1lft h ASP 126 Ca 0.12 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1lft h ASP 126 Cb 0.05 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 1lft h ASP 126 CO -0.09 0.06 0.39 0.11 -1.61 0.00 0.00 179.24 178.10 1lft h LYS 127 N 0.30 0.84 -0.03 0.28 1.57 -0.93 -1.21 116.57 117.39 1lft h LYS 127 Ca 0.28 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1lft h LYS 127 Cb 0.38 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1lft h LYS 127 CO -0.33 0.59 0.02 0.35 -0.57 0.00 0.00 179.45 179.50 1lft h PHE 128 N 0.85 0.04 0.00 -1.35 3.57 -0.26 -0.70 116.94 119.09 1lft h PHE 128 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1lft h PHE 128 Cb -0.05 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1lft h PHE 128 CO -0.02 0.09 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.88 1lft h LEU 129 N -0.02 0.00 -0.38 0.59 3.38 -0.24 -1.19 115.31 117.44 1lft h LEU 129 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1lft h LEU 129 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1lft h LEU 129 CO -0.00 0.20 -0.33 0.00 0.09 0.00 0.00 178.44 178.39 1lft h ALA 130 N 1.80 0.56 -0.57 1.53 0.00 -0.69 -1.01 119.26 120.89 1lft h ALA 130 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1lft h ALA 130 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1lft h ALA 130 CO 0.03 0.62 0.05 0.77 0.00 0.00 0.00 179.25 180.72 1lft h SER 131 N 0.72 0.90 -0.21 0.00 0.02 -0.23 -0.15 113.55 114.60 1lft h SER 131 Ca 0.07 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1lft h SER 131 Cb 0.92 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1lft h SER 131 CO 0.09 0.93 -0.19 0.58 -1.14 0.00 0.00 176.83 177.10 1lft h VAL 132 N 0.88 1.26 -0.23 2.27 2.07 -1.07 -2.44 116.25 118.98 1lft h VAL 132 Ca 0.17 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1lft h VAL 132 Cb 0.45 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1lft h VAL 132 CO 0.02 0.41 0.01 0.28 0.02 0.00 0.00 177.57 178.31 1lft h SER 133 N 0.58 0.39 -0.50 0.57 0.02 -0.57 -2.02 113.55 112.03 1lft h SER 133 Ca 0.09 -0.29 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1lft h SER 133 Cb 0.65 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1lft h SER 133 CO 0.05 0.59 0.24 0.74 -1.14 0.00 0.00 176.83 177.31 1lft h THR 134 N 0.18 0.95 -0.32 -2.27 2.02 -0.93 -2.02 112.91 110.52 1lft h THR 134 Ca 0.07 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1lft h THR 134 Cb 0.38 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1lft h THR 134 CO 0.01 0.09 0.12 0.58 0.37 0.00 0.00 175.52 176.69 1lft h VAL 135 N 0.48 1.19 0.00 3.16 2.07 -1.39 -2.07 116.25 119.68 1lft h VAL 135 Ca 0.22 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1lft h VAL 135 Cb 0.14 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1lft h VAL 135 CO -0.16 0.20 0.00 0.18 0.02 0.00 0.00 177.57 177.81 1lft n LEU 136 N -4.71 0.47 -0.23 2.57 4.77 -0.76 -2.18 117.00 116.92 1lft n LEU 136 Ca -0.02 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.69 1lft n LEU 136 Cb 0.14 -0.59 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 1lft n LEU 136 CO 0.36 -0.54 0.59 0.35 -1.33 0.00 0.00 177.39 176.82 1lft n THR 137 N -2.03 1.97 0.15 -5.08 -2.24 -0.79 -4.37 114.28 101.89 1lft n THR 137 Ca 0.02 -2.21 0.04 0.00 -2.27 0.00 0.00 64.05 59.63 1lft n THR 137 Cb 0.18 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.24 1lft n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lft h SER 138 N 0.34 0.00 0.15 3.42 4.64 -0.88 -2.79 113.55 118.43 1lft h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lft h SER 138 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1lft h SER 138 CO 0.04 0.45 0.00 1.17 -0.87 0.00 0.00 176.83 177.62 1lft n LYS 139 N -3.24 0.36 -0.06 4.77 3.00 -1.26 -2.72 118.16 119.01 1lft n LYS 139 Ca 0.02 0.07 -0.05 0.00 -0.00 0.00 0.00 58.31 58.35 1lft n LYS 139 Cb 0.69 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.21 1lft n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lft n TYR 140 N -1.14 0.13 0.00 5.64 0.53 -1.08 -4.96 117.16 116.27 1lft n TYR 140 Ca 0.10 0.05 0.00 0.00 -1.02 0.00 0.00 57.90 57.03 1lft n TYR 140 Cb 0.09 -0.38 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 1lft n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38