#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbs s LEU 2 N 0.00 4.43 0.00 7.52 2.34 -1.26 -5.08 118.68 126.63 1hbs s LEU 2 Ca 0.00 0.80 -0.16 0.00 0.06 0.00 0.00 54.13 54.82 1hbs s LEU 2 Cb 0.00 -2.55 0.24 0.00 -0.56 0.00 0.00 46.19 43.32 1hbs s LEU 2 CO 0.00 0.31 0.95 -1.54 -1.06 0.00 0.00 176.35 175.01 1hbs n SER 3 N 1.64 -1.50 0.00 1.48 3.41 -1.26 -4.71 113.62 112.68 1hbs n SER 3 Ca -0.14 -1.13 0.13 0.00 -0.26 0.00 0.00 58.87 57.48 1hbs n SER 3 Cb 0.53 -0.84 0.62 0.00 -0.26 0.00 0.00 64.21 64.26 1hbs n SER 3 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1hbs n PRO 4 N -4.08 0.13 0.04 4.33 -0.04 -1.26 -2.03 135.00 132.09 1hbs n PRO 4 Ca 0.13 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1hbs n PRO 4 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 1hbs n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hbs h ALA 5 N 3.05 0.43 -0.03 0.55 0.00 -1.95 0.42 119.26 121.72 1hbs h ALA 5 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 54.91 53.62 1hbs h ALA 5 Cb 0.40 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1hbs h ALA 5 CO 0.00 1.29 -0.76 0.38 0.00 0.00 0.00 179.25 180.16 1hbs h ASP 6 N 0.02 0.31 0.07 0.00 2.03 -1.73 3.52 116.42 120.65 1hbs h ASP 6 Ca -0.15 -0.22 -0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1hbs h ASP 6 Cb 1.91 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 40.32 1hbs h ASP 6 CO 0.13 0.96 -0.04 0.11 -1.03 0.00 0.00 179.24 179.37 1hbs h LYS 7 N 0.16 -0.10 0.26 4.15 1.57 -1.14 0.70 116.57 122.17 1hbs h LYS 7 Ca -0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hbs h LYS 7 Cb 1.34 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 1hbs h LYS 7 CO 0.12 -0.02 -0.25 1.15 -0.57 0.00 0.00 179.45 179.88 1hbs h THR 8 N -0.15 0.46 -1.02 -0.16 2.02 0.46 -2.80 112.91 111.72 1hbs h THR 8 Ca -0.01 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.43 1hbs h THR 8 Cb 0.12 0.46 -0.12 0.00 -1.74 0.00 0.00 68.15 66.87 1hbs h THR 8 CO 0.02 0.00 0.61 0.78 0.37 0.00 0.00 175.52 177.30 1hbs h ASN 9 N -0.54 0.61 0.14 4.18 2.35 0.75 -3.34 115.58 119.72 1hbs h ASN 9 Ca -0.01 0.14 -0.26 0.00 -0.55 0.00 0.00 56.30 55.62 1hbs h ASN 9 Cb 0.50 0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.93 1hbs h ASN 9 CO -0.05 0.06 -1.04 0.58 -1.65 0.00 0.00 177.43 175.33 1hbs h VAL 10 N 0.51 1.32 -0.03 2.81 2.07 0.66 -3.23 116.25 120.35 1hbs h VAL 10 Ca 0.65 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1hbs h VAL 10 Cb 1.36 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1hbs h VAL 10 CO -0.46 0.72 0.02 0.11 0.02 0.00 0.00 177.57 177.97 1hbs h LYS 11 N 0.32 0.04 0.03 1.57 1.57 -1.72 -3.15 116.57 115.23 1hbs h LYS 11 Ca -0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1hbs h LYS 11 Cb 1.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.00 1hbs h LYS 11 CO 0.20 0.06 -0.01 0.00 -0.57 0.00 0.00 179.45 179.13 1hbs h ALA 12 N 0.98 -0.04 0.04 3.86 0.00 -1.78 0.21 119.26 122.54 1hbs h ALA 12 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1hbs h ALA 12 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1hbs h ALA 12 CO -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 179.25 178.83 1hbs h ALA 13 N -0.25 -0.83 0.00 0.00 0.00 -1.57 0.25 119.26 116.86 1hbs h ALA 13 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hbs h ALA 13 Cb 0.67 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1hbs h ALA 13 CO 0.01 -0.92 0.00 1.87 0.00 0.00 0.00 179.25 180.20 1hbs n TRP 14 N -4.45 0.49 0.11 0.00 -0.00 -1.19 -2.08 117.44 110.32 1hbs n TRP 14 Ca -0.05 0.19 -0.23 0.00 -0.00 0.00 0.00 57.50 57.40 1hbs n TRP 14 Cb 0.27 -0.80 -0.15 0.00 -0.00 0.00 0.00 31.31 30.62 1hbs n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1hbs h GLY 15 N 2.63 0.53 -1.54 5.87 0.00 0.12 0.68 103.07 111.37 1hbs h GLY 15 Ca 0.00 -1.35 0.51 0.00 0.00 0.00 0.00 47.33 46.49 1hbs h GLY 15 CO 0.00 1.19 1.23 0.50 0.00 0.00 0.00 176.54 179.46 1hbs h LYS 16 N 0.13 0.01 -0.27 4.80 1.79 0.04 0.39 116.57 123.46 1hbs h LYS 16 Ca -0.29 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.11 1hbs h LYS 16 Cb 2.13 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.77 1hbs h LYS 16 CO 0.23 0.01 -0.11 0.28 -1.08 0.00 0.00 179.45 178.78 1hbs h VAL 17 N 0.01 1.29 0.00 0.50 2.07 -1.37 -3.48 116.25 115.28 1hbs h VAL 17 Ca 0.85 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1hbs h VAL 17 Cb 3.32 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 34.59 1hbs h VAL 17 CO -0.07 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1hbs n GLY 18 N -0.06 0.20 1.68 2.17 0.00 0.24 0.46 105.19 109.88 1hbs n GLY 18 Ca -0.04 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1hbs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbs n ALA 19 N 2.04 3.39 1.15 4.61 0.00 -1.26 -3.99 120.51 126.45 1hbs n ALA 19 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 53.44 51.91 1hbs n ALA 19 Cb 0.00 -1.07 0.22 0.00 0.00 0.00 0.00 19.45 18.60 1hbs n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 20 N 0.91 0.00 -0.34 0.00 8.25 1.63 -4.70 115.22 120.97 1hbs n HIS 20 Ca 0.26 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.99 1hbs n HIS 20 Cb 0.99 -0.01 0.44 0.00 1.12 0.00 0.00 29.99 32.53 1hbs n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hbs n ALA 21 N 0.67 0.95 0.45 -1.41 0.00 -1.23 -0.94 120.51 119.00 1hbs n ALA 21 Ca 0.14 0.47 0.11 0.00 0.00 0.00 0.00 53.44 54.16 1hbs n ALA 21 Cb 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1hbs n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hbs n GLY 22 N -1.41 -1.22 0.17 0.00 0.00 -1.26 -1.16 105.19 100.30 1hbs n GLY 22 Ca 0.25 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1hbs n GLY 22 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hbs h GLU 23 N 0.00 0.54 -0.98 1.61 4.81 -1.36 4.58 114.58 123.78 1hbs h GLU 23 Ca 0.00 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1hbs h GLU 23 Cb 0.79 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 1hbs h GLU 23 CO 0.00 1.19 0.65 1.88 -0.73 0.00 0.00 179.01 182.00 1hbs h TYR 24 N 0.11 1.23 -0.91 0.92 0.99 -1.50 1.97 116.97 119.78 1hbs h TYR 24 Ca -0.09 0.03 0.16 0.00 2.00 0.00 0.00 58.73 60.83 1hbs h TYR 24 Cb 1.45 -0.42 -0.07 0.00 1.00 0.00 0.00 36.73 38.69 1hbs h TYR 24 CO 0.13 0.77 0.58 0.78 -0.00 0.00 0.00 178.16 180.42 1hbs h GLY 25 N 1.32 1.22 0.56 3.88 0.00 -0.40 -1.90 103.07 107.74 1hbs h GLY 25 Ca 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1hbs h GLY 25 CO -0.08 0.05 -1.27 0.00 0.00 0.00 0.00 176.54 175.24 1hbs n ALA 26 N -2.43 3.00 0.11 3.60 0.00 1.50 -3.73 120.51 122.55 1hbs n ALA 26 Ca 0.19 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1hbs n ALA 26 Cb 0.53 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 19.14 1hbs n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hbs h GLU 27 N 0.00 0.10 0.30 0.00 4.81 0.39 -2.84 114.58 117.34 1hbs h GLU 27 Ca 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1hbs h GLU 27 Cb 0.88 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1hbs h GLU 27 CO 0.00 0.73 -0.31 0.00 -0.73 0.00 0.00 179.01 178.70 1hbs h ALA 28 N 1.25 -1.00 -0.79 2.92 0.00 -1.76 2.95 119.26 122.83 1hbs h ALA 28 Ca -0.01 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1hbs h ALA 28 Cb 1.19 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 19.40 1hbs h ALA 28 CO 0.09 -1.02 0.15 -0.07 0.00 0.00 0.00 179.25 178.41 1hbs h LEU 29 N -0.61 -0.09 -0.64 0.00 3.38 -1.59 1.14 115.31 116.90 1hbs h LEU 29 Ca -0.04 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1hbs h LEU 29 Cb 0.53 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 1hbs h LEU 29 CO -0.04 -0.12 0.03 -0.08 0.09 0.00 0.00 178.44 178.32 1hbs h GLU 30 N 0.20 0.14 0.58 1.13 4.81 -0.91 0.60 114.58 121.14 1hbs h GLU 30 Ca 0.46 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1hbs h GLU 30 Cb 0.84 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.20 1hbs h GLU 30 CO -0.60 0.09 -0.28 0.00 -0.73 0.00 0.00 179.01 177.49 1hbs h ARG 31 N 0.14 -0.75 -0.02 1.92 3.08 0.81 -3.19 114.38 116.37 1hbs h ARG 31 Ca 0.34 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.45 1hbs h ARG 31 Cb 0.55 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1hbs h ARG 31 CO -0.52 -0.47 -0.34 1.98 -1.07 0.00 0.00 179.97 179.55 1hbs h MET 32 N -0.88 -0.40 -0.92 0.04 4.05 0.27 -3.14 114.93 113.96 1hbs h MET 32 Ca -0.08 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1hbs h MET 32 Cb 0.63 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.47 1hbs h MET 32 CO 0.13 -0.27 0.59 0.74 0.23 0.00 0.00 176.91 178.33 1hbs h PHE 33 N -0.41 1.09 0.00 1.39 0.04 0.15 -1.61 116.94 117.59 1hbs h PHE 33 Ca 0.01 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 1hbs h PHE 33 Cb 0.45 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1hbs h PHE 33 CO -0.48 0.59 -0.71 -0.07 -0.60 0.00 0.00 178.31 177.05 1hbs h LEU 34 N 1.10 0.00 0.07 1.54 3.38 -1.54 -3.18 115.31 116.68 1hbs h LEU 34 Ca 0.38 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.07 1hbs h LEU 34 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1hbs h LEU 34 CO -0.15 0.60 -1.47 0.77 0.09 0.00 0.00 178.44 178.29 1hbs h SER 35 N 0.00 0.24 -2.64 -0.43 4.64 -1.60 -3.39 113.55 110.37 1hbs h SER 35 Ca -0.03 -0.34 -0.59 0.00 -0.47 0.00 0.00 61.79 60.36 1hbs h SER 35 Cb 1.48 -0.08 -0.39 0.00 -0.31 0.00 0.00 62.40 63.11 1hbs h SER 35 CO 0.07 1.29 -0.86 -0.36 -0.87 0.00 0.00 176.83 176.10 1hbs s PHE 36 N -2.63 0.99 0.09 4.77 0.40 -0.61 -4.86 117.98 116.13 1hbs s PHE 36 Ca -0.06 -1.90 0.18 0.00 -0.60 0.00 0.00 56.93 54.54 1hbs s PHE 36 Cb 0.08 -1.05 0.97 0.00 0.51 0.00 0.00 43.02 43.53 1hbs s PHE 36 CO 0.84 -0.82 1.48 -1.00 0.70 0.00 0.00 175.22 176.42 1hbs h PRO 37 N 6.64 0.00 -0.47 0.24 0.13 -1.76 -1.32 132.00 135.45 1hbs h PRO 37 Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 1hbs h PRO 37 Cb 0.95 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 1hbs h PRO 37 CO 0.32 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.92 1hbs h THR 38 N 0.00 0.43 0.00 1.56 1.03 -1.89 0.14 112.91 114.19 1hbs h THR 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1hbs h THR 38 Cb 0.49 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1hbs h THR 38 CO 0.00 0.00 0.00 1.07 -0.01 0.00 0.00 175.52 176.58 1hbs n THR 39 N -5.38 0.48 0.05 0.00 5.66 -0.50 -3.60 114.28 110.99 1hbs n THR 39 Ca 0.04 0.12 -0.04 0.00 -3.05 0.00 0.00 64.05 61.11 1hbs n THR 39 Cb 0.29 -0.98 0.17 0.00 -1.55 0.00 0.00 70.33 68.25 1hbs n THR 39 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1hbs h LYS 40 N 0.00 0.37 -0.96 1.09 1.57 -0.79 -3.22 116.57 114.63 1hbs h LYS 40 Ca 0.00 -0.19 0.33 0.00 -1.87 0.00 0.00 60.65 58.92 1hbs h LYS 40 Cb 0.05 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.18 1hbs h LYS 40 CO 0.00 0.73 0.24 -2.37 -0.57 0.00 0.00 179.45 177.49 1hbs n THR 41 N -4.01 -0.40 1.58 -0.16 5.66 -1.24 0.15 114.28 115.86 1hbs n THR 41 Ca -0.02 2.05 0.15 0.00 -3.05 0.00 0.00 64.05 63.18 1hbs n THR 41 Cb 0.51 -3.13 0.81 0.00 -1.55 0.00 0.00 70.33 66.96 1hbs n THR 41 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1hbs n TYR 42 N -5.32 0.00 -3.13 1.09 4.01 -1.22 -3.90 117.16 108.69 1hbs n TYR 42 Ca 0.29 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.83 1hbs n TYR 42 Cb 0.97 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.77 1hbs n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hbs n PHE 43 N -1.20 1.02 -0.26 -0.72 3.01 0.40 -4.92 117.46 114.79 1hbs n PHE 43 Ca 0.17 -3.84 -0.07 0.00 1.01 0.00 0.00 57.45 54.72 1hbs n PHE 43 Cb 0.20 -0.43 0.05 0.00 -0.01 0.00 0.00 39.48 39.29 1hbs n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hbs h PRO 44 N 2.99 1.13 -0.98 -1.08 0.13 -1.67 -3.30 132.00 129.22 1hbs h PRO 44 Ca 0.10 -0.24 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 1hbs h PRO 44 Cb 0.88 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 1hbs h PRO 44 CO 0.57 0.96 0.14 -2.39 -0.23 0.00 0.00 178.00 177.04 1hbs n HIS 45 N -4.28 0.73 -4.36 1.56 1.44 -1.26 -4.89 115.22 104.16 1hbs n HIS 45 Ca 0.06 -0.72 -0.24 0.00 -2.01 0.00 0.00 57.72 54.81 1hbs n HIS 45 Cb 0.22 -0.39 -0.12 0.00 0.12 0.00 0.00 29.99 29.83 1hbs n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hbs s PHE 46 N -0.95 2.00 -0.35 -1.40 2.99 -1.24 -5.12 117.98 113.91 1hbs s PHE 46 Ca 0.14 -0.42 -0.17 0.00 0.00 0.00 0.00 56.93 56.48 1hbs s PHE 46 Cb 0.12 -1.00 -0.00 0.00 0.00 0.00 0.00 43.02 42.13 1hbs s PHE 46 CO 0.03 0.38 0.47 0.34 -0.00 0.00 0.00 175.22 176.44 1hbs s ASP 47 N -2.60 6.27 -0.36 1.36 2.15 -1.26 -4.95 116.67 117.28 1hbs s ASP 47 Ca 0.17 -0.14 0.07 0.00 0.43 0.00 0.00 52.55 53.08 1hbs s ASP 47 Cb -0.07 -2.25 0.52 0.00 -0.30 0.00 0.00 42.92 40.82 1hbs s ASP 47 CO 0.08 -0.46 1.56 0.18 -0.17 0.00 0.00 175.17 176.36 1hbs n LEU 48 N 5.65 4.99 -4.75 -1.34 4.32 -1.26 -4.65 117.00 119.97 1hbs n LEU 48 Ca -0.06 -3.94 -0.37 0.00 -0.02 0.00 0.00 56.01 51.62 1hbs n LEU 48 Cb 0.49 -0.67 0.04 0.00 -1.62 0.00 0.00 43.42 41.66 1hbs n LEU 48 CO 0.44 1.37 0.89 -0.94 -1.22 0.00 0.00 177.39 177.93 1hbs s SER 49 N -2.42 5.12 0.04 -1.43 1.04 -1.26 -4.81 113.70 109.97 1hbs s SER 49 Ca 0.49 2.54 -0.38 0.00 0.48 0.00 0.00 55.95 59.09 1hbs s SER 49 Cb 0.43 -2.61 -0.19 0.00 0.10 0.00 0.00 66.02 63.74 1hbs s SER 49 CO 0.02 -1.65 0.96 1.57 0.98 0.00 0.00 173.24 175.11 1hbs n HIS 50 N -1.45 0.42 -0.48 5.02 -0.00 -1.26 -3.16 115.22 114.30 1hbs n HIS 50 Ca 0.13 1.04 0.00 0.00 0.46 0.00 0.00 57.72 59.35 1hbs n HIS 50 Cb 0.48 -2.07 0.00 0.00 -0.12 0.00 0.00 29.99 28.28 1hbs n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hbs n GLY 51 N 1.60 0.75 3.89 1.57 0.00 -1.26 -5.11 105.19 106.64 1hbs n GLY 51 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1hbs n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hbs s SER 52 N -2.23 6.34 0.64 1.61 1.04 -1.19 -4.87 113.70 115.05 1hbs s SER 52 Ca 0.00 1.11 0.41 0.00 0.48 0.00 0.00 55.95 57.95 1hbs s SER 52 Cb 0.00 -2.32 2.25 0.00 0.10 0.00 0.00 66.02 66.05 1hbs s SER 52 CO 0.00 -0.59 2.27 0.00 0.98 0.00 0.00 173.24 175.90 1hbs h ALA 53 N 0.44 1.03 0.29 5.32 0.00 -1.96 1.08 119.26 125.46 1hbs h ALA 53 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1hbs h ALA 53 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1hbs h ALA 53 CO 0.62 -0.03 -0.49 0.37 0.00 0.00 0.00 179.25 179.72 1hbs h GLN 54 N 0.00 -0.81 0.00 0.00 4.15 -1.89 2.02 115.11 118.58 1hbs h GLN 54 Ca 0.00 0.05 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 1hbs h GLN 54 Cb 0.07 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1hbs h GLN 54 CO 0.00 -0.54 -1.48 0.28 -1.93 0.00 0.00 178.83 175.16 1hbs h VAL 55 N -0.84 0.71 -0.90 2.39 2.07 -1.73 -0.38 116.25 117.56 1hbs h VAL 55 Ca -0.02 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 65.20 1hbs h VAL 55 Cb 0.79 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 1hbs h VAL 55 CO -0.18 0.41 0.59 0.50 0.02 0.00 0.00 177.57 178.91 1hbs h LYS 56 N 0.00 1.00 0.14 1.57 3.64 0.31 -3.07 116.57 120.16 1hbs h LYS 56 Ca -0.20 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1hbs h LYS 56 Cb 1.77 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1hbs h LYS 56 CO 0.06 0.66 -0.07 0.78 -2.27 0.00 0.00 179.45 178.62 1hbs h GLY 57 N 1.03 -0.20 -0.96 5.01 0.00 0.32 -1.34 103.07 106.92 1hbs h GLY 57 Ca 0.39 0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.97 1hbs h GLY 57 CO -0.14 -0.07 -0.29 1.57 0.00 0.00 0.00 176.54 177.60 1hbs n HIS 58 N -5.04 0.23 -0.07 5.60 -0.00 -0.16 -0.42 115.22 115.36 1hbs n HIS 58 Ca -0.09 1.18 -0.09 0.00 -0.00 0.00 0.00 57.72 58.72 1hbs n HIS 58 Cb 0.21 -0.99 -0.03 0.00 -0.00 0.00 0.00 29.99 29.19 1hbs n HIS 58 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1hbs h GLY 59 N 0.00 -0.32 2.00 1.57 0.00 -1.59 0.84 103.07 105.57 1hbs h GLY 59 Ca 0.42 0.41 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1hbs h GLY 59 CO -0.98 -0.21 0.00 1.70 0.00 0.00 0.00 176.54 177.05 1hbs h LYS 60 N -0.30 0.00 0.00 4.80 1.63 0.46 -2.85 116.57 120.31 1hbs h LYS 60 Ca 0.14 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.75 1hbs h LYS 60 Cb 0.54 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1hbs h LYS 60 CO -0.47 0.00 -0.89 0.87 -3.45 0.00 0.00 179.45 175.51 1hbs h LYS 61 N 0.00 0.03 0.00 1.90 1.57 -0.54 -3.02 116.57 116.51 1hbs h LYS 61 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1hbs h LYS 61 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1hbs h LYS 61 CO 0.00 0.90 -0.00 0.28 -0.57 0.00 0.00 179.45 180.06 1hbs h VAL 62 N 0.01 1.33 -0.86 0.50 2.07 -0.68 -1.80 116.25 116.82 1hbs h VAL 62 Ca -0.02 -1.00 0.14 0.00 0.82 0.00 0.00 66.70 66.65 1hbs h VAL 62 Cb 1.57 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 33.28 1hbs h VAL 62 CO 0.12 0.26 0.56 0.00 0.02 0.00 0.00 177.57 178.53 1hbs h ALA 63 N 0.56 1.88 0.00 1.67 0.00 -1.59 -2.22 119.26 119.56 1hbs h ALA 63 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1hbs h ALA 63 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hbs h ALA 63 CO 0.00 -0.11 -0.00 -0.44 0.00 0.00 0.00 179.25 178.70 1hbs h ASP 64 N 0.65 -0.00 -0.82 0.00 3.32 -1.56 -2.91 116.42 115.09 1hbs h ASP 64 Ca 0.43 -0.79 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1hbs h ASP 64 Cb 0.73 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 1hbs h ASP 64 CO -0.19 0.80 0.50 0.00 -1.72 0.00 0.00 179.24 178.64 1hbs h ALA 65 N 0.17 1.12 -0.63 3.45 0.00 -0.67 -1.72 119.26 120.98 1hbs h ALA 65 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1hbs h ALA 65 Cb 0.80 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 1hbs h ALA 65 CO 0.00 0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 179.31 1hbs h LEU 66 N 0.93 -0.51 -0.31 0.00 4.07 -1.68 -0.99 115.31 116.81 1hbs h LEU 66 Ca 0.36 0.18 -0.18 0.00 0.08 0.00 0.00 57.88 58.32 1hbs h LEU 66 Cb 0.16 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1hbs h LEU 66 CO -0.17 -0.19 -0.85 0.00 -1.08 0.00 0.00 178.44 176.15 1hbs h THR 67 N 0.03 1.58 0.02 0.22 1.03 -1.46 0.78 112.91 115.10 1hbs h THR 67 Ca 0.31 -2.82 -0.27 0.00 -0.01 0.00 0.00 66.41 63.62 1hbs h THR 67 Cb 0.49 2.54 0.02 0.00 -1.07 0.00 0.00 68.15 70.13 1hbs h THR 67 CO -0.63 0.81 -1.08 -1.13 -0.01 0.00 0.00 175.52 173.49 1hbs h ASN 68 N 0.02 0.91 1.62 0.00 -1.24 -0.35 -2.23 115.58 114.32 1hbs h ASN 68 Ca -0.02 -0.74 -0.01 0.00 0.71 0.00 0.00 56.30 56.24 1hbs h ASN 68 Cb 1.49 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 1hbs h ASN 68 CO 0.12 1.55 -0.04 0.00 -1.29 0.00 0.00 177.43 177.76 1hbs h ALA 69 N 0.39 0.98 0.00 1.57 0.00 -0.97 0.36 119.26 121.59 1hbs h ALA 69 Ca -0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1hbs h ALA 69 Cb 1.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1hbs h ALA 69 CO 0.21 0.05 -0.52 0.28 0.00 0.00 0.00 179.25 179.27 1hbs h VAL 70 N 0.00 1.05 -0.00 0.00 2.07 -0.89 0.83 116.25 119.31 1hbs h VAL 70 Ca -0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1hbs h VAL 70 Cb 0.86 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1hbs h VAL 70 CO 0.01 0.51 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1hbs n ALA 71 N -2.30 2.63 -2.72 1.67 0.00 0.10 -4.34 120.51 115.56 1hbs n ALA 71 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1hbs n ALA 71 Cb 0.64 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.72 1hbs n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 72 N -1.10 0.58 -0.43 0.00 8.25 0.21 -4.81 115.22 117.92 1hbs n HIS 72 Ca 0.15 -1.68 0.40 0.00 -0.26 0.00 0.00 57.72 56.34 1hbs n HIS 72 Cb 0.24 0.01 0.74 0.00 1.12 0.00 0.00 29.99 32.10 1hbs n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1hbs h VAL 73 N 5.71 0.20 0.00 1.59 3.04 -1.56 3.93 116.25 129.16 1hbs h VAL 73 Ca -0.21 0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.12 1hbs h VAL 73 Cb 1.41 0.22 -0.07 0.00 -2.01 0.00 0.00 31.29 30.84 1hbs h VAL 73 CO 0.10 0.00 -2.35 0.47 -1.01 0.00 0.00 177.57 174.79 1hbs n ASP 74 N -3.92 0.15 -2.67 3.17 8.00 -1.26 -4.58 116.55 115.44 1hbs n ASP 74 Ca 0.31 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1hbs n ASP 74 Cb 1.54 0.86 0.02 0.00 -0.02 0.00 0.00 41.12 43.52 1hbs n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hbs n ASP 75 N -2.79 1.79 -0.25 -2.24 2.03 1.20 -4.92 116.55 111.36 1hbs n ASP 75 Ca -0.32 -2.84 0.06 0.00 0.52 0.00 0.00 54.79 52.20 1hbs n ASP 75 Cb 1.14 -0.53 0.19 0.00 -0.72 0.00 0.00 41.12 41.20 1hbs n ASP 75 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1hbs h MET 76 N 2.95 0.26 0.00 -0.67 4.05 0.14 0.43 114.93 122.10 1hbs h MET 76 Ca -0.04 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1hbs h MET 76 Cb 1.14 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1hbs h MET 76 CO 0.54 0.17 -0.14 -1.00 0.23 0.00 0.00 176.91 176.71 1hbs h PRO 77 N 0.27 0.00 0.22 0.39 0.13 -1.91 -2.65 132.00 128.45 1hbs h PRO 77 Ca 0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.22 1hbs h PRO 77 Cb 0.73 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.88 1hbs h PRO 77 CO -0.52 0.14 -1.52 -0.91 -0.23 0.00 0.00 178.00 174.96 1hbs h ASN 78 N 0.00 0.73 -0.43 1.44 -0.26 -1.27 -3.14 115.58 112.64 1hbs h ASN 78 Ca -0.00 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 1hbs h ASN 78 Cb 0.33 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1hbs h ASN 78 CO 0.02 1.68 0.28 0.00 -1.06 0.00 0.00 177.43 178.35 1hbs h ALA 79 N 0.21 0.55 -0.03 -0.83 0.00 -1.68 -2.08 119.26 115.40 1hbs h ALA 79 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hbs h ALA 79 Cb 2.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1hbs h ALA 79 CO 0.24 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1hbs n LEU 80 N -4.77 1.52 -0.30 0.00 4.77 -1.00 -4.68 117.00 112.53 1hbs n LEU 80 Ca 0.01 -0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1hbs n LEU 80 Cb 0.03 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1hbs n LEU 80 CO 0.35 0.26 0.49 0.28 -1.33 0.00 0.00 177.39 177.43 1hbs h SER 81 N 2.35 -1.75 0.90 -1.43 0.02 -1.32 -2.05 113.55 110.28 1hbs h SER 81 Ca 0.00 0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1hbs h SER 81 Cb 0.50 0.77 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1hbs h SER 81 CO 0.00 -0.22 -0.37 0.00 -1.14 0.00 0.00 176.83 175.11 1hbs h ALA 82 N 0.15 0.97 0.00 3.77 0.00 -1.83 -0.83 119.26 121.49 1hbs h ALA 82 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1hbs h ALA 82 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1hbs h ALA 82 CO -0.73 0.46 -0.52 1.25 0.00 0.00 0.00 179.25 179.71 1hbs h LEU 83 N 0.00 0.00 0.16 0.00 5.85 -1.66 -0.46 115.31 119.20 1hbs h LEU 83 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1hbs h LEU 83 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1hbs h LEU 83 CO 0.05 0.52 -1.62 0.77 -0.34 0.00 0.00 178.44 177.82 1hbs h SER 84 N 0.00 0.52 -0.94 1.25 4.64 -1.43 0.55 113.55 118.14 1hbs h SER 84 Ca -0.01 -0.72 0.16 0.00 -0.47 0.00 0.00 61.79 60.75 1hbs h SER 84 Cb 1.17 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.99 1hbs h SER 84 CO 0.07 1.60 0.54 0.44 -0.87 0.00 0.00 176.83 178.61 1hbs h ASP 85 N 0.09 0.70 0.10 4.97 3.32 -0.44 -2.88 116.42 122.28 1hbs h ASP 85 Ca -0.29 0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.61 1hbs h ASP 85 Cb 2.06 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.57 1hbs h ASP 85 CO 0.18 0.29 -1.23 0.25 -1.72 0.00 0.00 179.24 177.01 1hbs h LEU 86 N 0.74 0.34 0.00 1.55 5.85 -1.07 -3.33 115.31 119.40 1hbs h LEU 86 Ca 0.52 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1hbs h LEU 86 Cb 0.72 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1hbs h LEU 86 CO -0.35 1.54 0.00 1.41 -0.34 0.00 0.00 178.44 180.69 1hbs n HIS 87 N -4.03 0.00 -0.33 1.25 8.25 0.18 -1.09 115.22 119.45 1hbs n HIS 87 Ca -0.23 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.45 1hbs n HIS 87 Cb 0.85 -0.28 0.42 0.00 1.12 0.00 0.00 29.99 32.10 1hbs n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hbs h ALA 88 N -1.72 1.61 -0.01 -1.41 0.00 -1.77 0.97 119.26 116.93 1hbs h ALA 88 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1hbs h ALA 88 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hbs h ALA 88 CO 0.00 -0.73 -0.14 0.72 0.00 0.00 0.00 179.25 179.10 1hbs n HIS 89 N -5.38 0.00 -0.02 0.00 8.25 -1.06 -4.38 115.22 112.64 1hbs n HIS 89 Ca 0.30 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 1hbs n HIS 89 Cb 0.98 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.08 1hbs n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1hbs n LYS 90 N -0.22 0.25 -0.03 -0.41 4.81 -0.25 -4.74 118.16 117.56 1hbs n LYS 90 Ca 0.03 0.10 -0.11 0.00 -0.87 0.00 0.00 58.31 57.46 1hbs n LYS 90 Cb 0.17 -0.93 -0.10 0.00 0.02 0.00 0.00 35.03 34.19 1hbs n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hbs h LEU 91 N -0.46 -0.04 -3.82 3.14 3.38 -1.68 -3.48 115.31 112.35 1hbs h LEU 91 Ca -0.03 -0.65 -0.43 0.00 0.09 0.00 0.00 57.88 56.87 1hbs h LEU 91 Cb 0.53 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1hbs h LEU 91 CO -0.02 0.72 -0.72 0.54 0.09 0.00 0.00 178.44 179.06 1hbs n ARG 92 N -4.74 -0.45 -2.27 1.13 1.74 0.34 -4.90 116.66 107.51 1hbs n ARG 92 Ca -0.08 -0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 1hbs n ARG 92 Cb 0.33 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1hbs n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hbs s VAL 93 N -3.96 3.32 0.22 1.55 1.01 -1.26 -4.98 120.40 116.30 1hbs s VAL 93 Ca 0.35 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1hbs s VAL 93 Cb -0.20 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1hbs s VAL 93 CO 0.69 0.17 1.09 -0.62 0.00 0.00 0.00 175.10 176.44 1hbs s ASP 94 N 0.24 7.28 0.00 3.32 2.15 -1.26 -4.94 116.67 123.46 1hbs s ASP 94 Ca 0.55 2.15 0.04 0.00 0.43 0.00 0.00 52.55 55.73 1hbs s ASP 94 Cb -0.35 -2.61 0.20 0.00 -0.30 0.00 0.00 42.92 39.86 1hbs s ASP 94 CO 0.38 -0.18 1.07 -2.65 -0.17 0.00 0.00 175.17 173.63 1hbs n PRO 95 N 1.90 0.03 0.27 4.34 -0.02 -1.26 -2.47 135.00 137.78 1hbs n PRO 95 Ca 0.01 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1hbs n PRO 95 Cb 0.46 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.17 1hbs n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hbs h VAL 96 N 0.00 0.64 0.00 -1.45 2.07 -2.02 -2.18 116.25 113.32 1hbs h VAL 96 Ca 0.00 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1hbs h VAL 96 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1hbs h VAL 96 CO 0.00 0.10 -0.51 0.78 0.02 0.00 0.00 177.57 177.96 1hbs h ASN 97 N 0.00 0.00 -0.45 0.57 4.21 -1.88 -3.23 115.58 114.80 1hbs h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1hbs h ASN 97 Cb 0.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 1hbs h ASN 97 CO 0.01 0.51 0.00 -0.26 -1.29 0.00 0.00 177.43 176.40 1hbs h PHE 98 N 0.00 0.92 -0.19 1.19 0.04 -1.55 -1.70 116.94 115.65 1hbs h PHE 98 Ca -0.01 -0.14 0.06 0.00 2.80 0.00 0.00 57.97 60.68 1hbs h PHE 98 Cb 0.99 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 1hbs h PHE 98 CO 0.00 0.84 -0.24 -0.22 -0.60 0.00 0.00 178.31 178.09 1hbs h LYS 99 N 0.80 -0.26 -0.04 1.51 3.64 -1.63 -2.79 116.57 117.79 1hbs h LYS 99 Ca 0.15 0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.30 1hbs h LYS 99 Cb 0.48 0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1hbs h LYS 99 CO 0.02 -0.18 -0.96 -0.07 -2.27 0.00 0.00 179.45 175.99 1hbs h LEU 100 N -0.27 0.92 -0.03 5.20 3.38 -1.47 -3.16 115.31 119.88 1hbs h LEU 100 Ca 0.12 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1hbs h LEU 100 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hbs h LEU 100 CO -0.35 1.50 0.00 0.25 0.09 0.00 0.00 178.44 179.93 1hbs h LEU 101 N 0.43 0.00 -0.87 1.67 6.46 -1.20 -3.28 115.31 118.53 1hbs h LEU 101 Ca -0.11 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.56 1hbs h LEU 101 Cb 1.61 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.52 1hbs h LEU 101 CO 0.19 0.00 -0.11 0.28 -0.62 0.00 0.00 178.44 178.19 1hbs h SER 102 N 0.00 0.71 -0.13 1.25 0.02 -1.62 -2.85 113.55 110.93 1hbs h SER 102 Ca 0.00 -0.20 -0.16 0.00 -0.84 0.00 0.00 61.79 60.59 1hbs h SER 102 Cb 0.96 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.31 1hbs h SER 102 CO 0.00 0.84 -0.54 -0.74 -1.14 0.00 0.00 176.83 175.25 1hbs h HIS 103 N 0.66 0.81 -0.04 3.45 -0.00 -1.60 -3.32 115.15 115.11 1hbs h HIS 103 Ca 0.11 -0.34 0.03 0.00 -0.00 0.00 0.00 60.37 60.17 1hbs h HIS 103 Cb 0.56 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.78 1hbs h HIS 103 CO 0.03 1.13 -0.52 0.00 -0.00 0.00 0.00 177.93 178.57 1hbs h LEU 105 N -0.63 -1.40 0.00 0.00 4.07 -1.61 1.54 115.31 117.28 1hbs h LEU 105 Ca 0.03 0.29 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1hbs h LEU 105 Cb 0.70 0.72 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1hbs h LEU 105 CO -0.38 -0.29 0.00 -0.11 -1.08 0.00 0.00 178.44 176.58 1hbs n LEU 106 N -5.45 0.00 -0.32 1.67 7.94 -1.24 0.45 117.00 120.04 1hbs n LEU 106 Ca 0.08 0.62 0.21 0.00 -1.11 0.00 0.00 56.01 55.82 1hbs n LEU 106 Cb 0.38 -0.12 0.42 0.00 0.53 0.00 0.00 43.42 44.63 1hbs n LEU 106 CO -0.10 -0.12 0.99 0.58 -1.11 0.00 0.00 177.39 177.63 1hbs h VAL 107 N 0.00 0.17 0.16 1.96 2.07 -1.50 0.36 116.25 119.48 1hbs h VAL 107 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1hbs h VAL 107 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1hbs h VAL 107 CO 0.00 0.03 -0.08 0.74 0.02 0.00 0.00 177.57 178.28 1hbs h THR 108 N 0.15 0.00 -0.42 2.57 2.02 0.23 -1.98 112.91 115.48 1hbs h THR 108 Ca 0.69 -0.70 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1hbs h THR 108 Cb 1.58 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1hbs h THR 108 CO -0.72 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 175.40 1hbs h LEU 109 N -0.91 0.02 0.18 2.58 4.07 1.37 -2.81 115.31 119.82 1hbs h LEU 109 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1hbs h LEU 109 Cb 0.17 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1hbs h LEU 109 CO 0.04 0.01 -0.09 0.00 -1.08 0.00 0.00 178.44 177.32 1hbs h ALA 110 N 1.79 -1.02 0.00 1.53 0.00 -1.42 -3.25 119.26 116.89 1hbs h ALA 110 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hbs h ALA 110 Cb 0.76 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hbs h ALA 110 CO -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.24 1hbs n ALA 111 N -2.13 2.32 0.00 0.00 0.00 -0.74 -3.75 120.51 116.20 1hbs n ALA 111 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1hbs n ALA 111 Cb 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1hbs n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 112 N -1.15 0.00 -3.76 0.00 -0.00 -1.23 -4.74 115.22 104.34 1hbs n HIS 112 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.58 1hbs n HIS 112 Cb 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.00 1hbs n HIS 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1hbs s LEU 113 N -2.31 3.32 0.01 2.41 1.02 -1.23 -4.96 118.68 116.94 1hbs s LEU 113 Ca 0.00 -3.01 -0.02 0.00 0.02 0.00 0.00 54.13 51.12 1hbs s LEU 113 Cb 0.00 -1.21 -0.00 0.00 0.02 0.00 0.00 46.19 44.99 1hbs s LEU 113 CO 0.00 -0.21 0.32 -2.65 0.02 0.00 0.00 176.35 173.84 1hbs n PRO 114 N 3.04 -0.03 -3.39 1.29 -0.02 -1.26 -3.89 135.00 130.74 1hbs n PRO 114 Ca 0.13 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.67 1hbs n PRO 114 Cb 0.36 -0.48 -0.09 0.00 -0.02 0.00 0.00 33.50 33.26 1hbs n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hbs n ALA 115 N -2.60 2.86 0.00 3.55 0.00 -1.26 -4.62 120.51 118.44 1hbs n ALA 115 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1hbs n ALA 115 Cb 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1hbs n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hbs n GLU 116 N 2.28 2.78 -3.26 0.00 -0.58 -1.25 -4.87 120.64 115.74 1hbs n GLU 116 Ca 0.27 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.56 1hbs n GLU 116 Cb 0.48 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 1hbs n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hbs n PHE 117 N -0.30 4.57 -2.17 -0.32 7.35 -1.26 -4.94 117.46 120.39 1hbs n PHE 117 Ca 0.00 -3.60 -0.27 0.00 -0.76 0.00 0.00 57.45 52.82 1hbs n PHE 117 Cb 0.00 -1.60 0.12 0.00 0.35 0.00 0.00 39.48 38.35 1hbs n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1hbs s THR 118 N -1.66 2.13 0.23 -2.13 2.01 -1.26 -4.83 115.64 110.13 1hbs s THR 118 Ca 0.31 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1hbs s THR 118 Cb -0.06 -2.90 0.19 0.00 0.01 0.00 0.00 72.50 69.73 1hbs s THR 118 CO -0.03 0.00 1.78 -0.65 -0.69 0.00 0.00 174.62 175.03 1hbs h PRO 119 N -0.98 0.61 -0.00 4.92 0.11 -2.01 -2.83 132.00 131.83 1hbs h PRO 119 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hbs h PRO 119 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1hbs h PRO 119 CO 0.49 0.41 -0.02 0.00 -0.21 0.00 0.00 178.00 178.66 1hbs n ALA 120 N -2.41 2.40 0.04 -0.75 0.00 -1.26 -4.04 120.51 114.50 1hbs n ALA 120 Ca 0.12 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1hbs n ALA 120 Cb 0.29 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1hbs n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hbs h VAL 121 N 0.00 1.05 0.18 0.00 2.07 -1.87 -3.21 116.25 114.48 1hbs h VAL 121 Ca 0.00 -2.73 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 1hbs h VAL 121 Cb 0.48 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1hbs h VAL 121 CO 0.00 0.79 -0.09 -0.74 0.02 0.00 0.00 177.57 177.55 1hbs h HIS 122 N 0.06 -0.23 0.00 1.57 6.17 -1.68 0.45 115.15 121.49 1hbs h HIS 122 Ca -0.27 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.81 1hbs h HIS 122 Cb 2.01 0.08 0.00 0.00 2.52 0.00 0.00 27.41 32.02 1hbs h HIS 122 CO 0.06 0.18 0.00 0.00 0.71 0.00 0.00 177.93 178.87 1hbs n ALA 123 N -2.48 -0.03 -0.04 5.26 0.00 -1.26 -1.40 120.51 120.56 1hbs n ALA 123 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1hbs n ALA 123 Cb 0.26 0.22 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1hbs n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hbs h SER 124 N 0.00 0.76 1.48 0.00 0.87 -1.66 0.45 113.55 115.44 1hbs h SER 124 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1hbs h SER 124 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1hbs h SER 124 CO 0.00 1.12 0.00 0.17 -0.53 0.00 0.00 176.83 177.59 1hbs h LEU 125 N 0.55 0.00 0.40 2.23 -0.00 0.13 -3.10 115.31 115.52 1hbs h LEU 125 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1hbs h LEU 125 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1hbs h LEU 125 CO 0.10 0.00 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.57 1hbs h ASP 126 N 0.00 -0.46 1.55 0.17 3.58 0.29 -2.96 116.42 118.59 1hbs h ASP 126 Ca 0.00 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1hbs h ASP 126 Cb 0.74 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1hbs h ASP 126 CO 0.00 -0.25 -0.41 0.11 -2.88 0.00 0.00 179.24 175.81 1hbs h LYS 127 N -0.64 0.00 0.07 0.28 1.57 -1.48 -2.90 116.57 113.48 1hbs h LYS 127 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hbs h LYS 127 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1hbs h LYS 127 CO 0.09 0.41 -0.03 0.35 -0.57 0.00 0.00 179.45 179.70 1hbs h PHE 128 N 0.00 -0.09 -0.61 -1.35 3.57 -1.56 0.57 116.94 117.47 1hbs h PHE 128 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1hbs h PHE 128 Cb 1.30 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1hbs h PHE 128 CO 0.00 0.18 0.40 1.25 -2.23 0.00 0.00 178.31 177.91 1hbs h LEU 129 N -0.35 0.67 -0.02 0.59 6.46 -1.63 5.87 115.31 126.89 1hbs h LEU 129 Ca -0.01 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1hbs h LEU 129 Cb 0.31 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1hbs h LEU 129 CO 0.02 0.48 0.01 0.00 -0.62 0.00 0.00 178.44 178.32 1hbs h ALA 130 N 1.63 0.03 -0.24 1.25 0.00 -1.29 -2.74 119.26 117.90 1hbs h ALA 130 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1hbs h ALA 130 Cb -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1hbs h ALA 130 CO -0.06 -0.37 -0.08 0.77 0.00 0.00 0.00 179.25 179.52 1hbs h SER 131 N -0.17 -0.29 0.33 0.00 0.02 0.98 -2.31 113.55 112.11 1hbs h SER 131 Ca 0.01 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1hbs h SER 131 Cb 0.21 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1hbs h SER 131 CO -0.00 -0.11 -0.52 1.62 -1.14 0.00 0.00 176.83 176.68 1hbs h VAL 132 N -0.04 1.36 -0.36 2.27 3.04 1.22 -3.00 116.25 120.74 1hbs h VAL 132 Ca 0.12 -1.78 -0.03 0.00 -1.01 0.00 0.00 66.70 64.00 1hbs h VAL 132 Cb 0.22 1.87 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1hbs h VAL 132 CO -0.26 0.53 0.09 0.28 -1.01 0.00 0.00 177.57 177.19 1hbs h SER 133 N 0.17 0.47 -0.24 3.17 0.02 -1.15 -2.54 113.55 113.44 1hbs h SER 133 Ca 0.00 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1hbs h SER 133 Cb 0.97 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1hbs h SER 133 CO 0.08 0.47 -0.27 0.74 -1.14 0.00 0.00 176.83 176.71 1hbs h THR 134 N 0.51 1.32 -0.40 -2.27 2.02 -1.29 0.41 112.91 113.21 1hbs h THR 134 Ca 0.12 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1hbs h THR 134 Cb 0.19 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1hbs h THR 134 CO -0.00 0.45 0.17 0.58 0.37 0.00 0.00 175.52 177.09 1hbs h VAL 135 N 0.31 1.19 0.00 3.16 2.07 -1.47 0.51 116.25 122.02 1hbs h VAL 135 Ca 0.03 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1hbs h VAL 135 Cb 0.84 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1hbs h VAL 135 CO 0.07 0.20 -0.08 -0.07 0.02 0.00 0.00 177.57 177.71 1hbs h LEU 136 N 0.50 0.00 -3.04 2.57 3.38 -1.54 -3.02 115.31 114.17 1hbs h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hbs h LEU 136 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1hbs h LEU 136 CO -0.01 0.08 0.00 0.41 0.09 0.00 0.00 178.44 179.01 1hbs n THR 137 N -3.18 1.60 -0.12 0.22 -1.04 0.16 -4.62 114.28 107.30 1hbs n THR 137 Ca 0.01 -1.65 -0.04 0.00 -2.04 0.00 0.00 64.05 60.33 1hbs n THR 137 Cb 0.41 0.07 0.16 0.00 -1.82 0.00 0.00 70.33 69.14 1hbs n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1hbs h SER 138 N 0.70 0.78 -0.82 8.00 0.02 -0.81 -3.40 113.55 118.02 1hbs h SER 138 Ca 0.00 -0.18 -0.58 0.00 -0.84 0.00 0.00 61.79 60.19 1hbs h SER 138 Cb 0.92 -0.21 -0.38 0.00 0.14 0.00 0.00 62.40 62.88 1hbs h SER 138 CO 0.05 0.83 -0.27 0.29 -1.14 0.00 0.00 176.83 176.59 1hbs n LYS 139 N -4.22 3.29 0.08 3.45 5.02 -1.26 -4.75 118.16 119.77 1hbs n LYS 139 Ca 0.03 -3.87 -0.17 0.00 -2.02 0.00 0.00 58.31 52.28 1hbs n LYS 139 Cb 0.29 -2.27 -0.14 0.00 -0.02 0.00 0.00 35.03 32.89 1hbs n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hbs h TYR 140 N 2.10 0.47 0.00 2.13 0.05 -1.85 -3.43 116.97 116.43 1hbs h TYR 140 Ca 0.44 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1hbs h TYR 140 Cb 1.31 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1hbs h TYR 140 CO 1.04 1.35 0.00 2.89 -1.05 0.00 0.00 178.16 182.39