#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 4.25 0.85 7.52 1.43 -1.26 -5.02 118.68 126.45 1hbs s LEU 2 Ca 0.00 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1hbs s LEU 2 Cb 0.00 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.81 1hbs s LEU 2 CO 0.00 -0.47 1.19 -0.94 0.23 0.00 0.00 176.35 176.36 1hbs s SER 3 N 1.15 3.85 0.23 2.29 1.04 -1.26 -4.91 113.70 116.08 1hbs s SER 3 Ca 0.49 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 1hbs s SER 3 Cb -0.19 -0.57 0.20 0.00 0.10 0.00 0.00 66.02 65.55 1hbs s SER 3 CO 0.18 -2.26 1.83 1.55 0.98 0.00 0.00 173.24 175.52 1hbs h PRO 4 N -1.19 1.23 0.03 4.02 0.13 -1.96 -1.76 132.00 132.51 1hbs h PRO 4 Ca -0.43 -0.18 -0.22 0.00 -0.87 0.00 0.00 66.00 64.30 1hbs h PRO 4 Cb 1.27 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hbs h PRO 4 CO 0.47 0.94 -0.99 0.00 -0.23 0.00 0.00 178.00 178.19 1hbs h ALA 5 N 1.24 0.36 -0.28 -0.56 0.00 -2.01 0.19 119.26 118.21 1hbs h ALA 5 Ca 0.30 -0.77 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1hbs h ALA 5 Cb 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1hbs h ALA 5 CO -0.04 0.92 -0.18 -0.44 0.00 0.00 0.00 179.25 179.51 1hbs h ASP 6 N 0.13 -0.60 0.38 0.00 3.32 -1.86 -1.65 116.42 116.14 1hbs h ASP 6 Ca -0.07 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1hbs h ASP 6 Cb 1.66 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 41.51 1hbs h ASP 6 CO 0.16 -0.22 -0.26 0.50 -1.72 0.00 0.00 179.24 177.70 1hbs h LYS 7 N -0.16 -0.60 -0.03 3.56 3.11 -1.37 -2.76 116.57 118.31 1hbs h LYS 7 Ca 0.15 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1hbs h LYS 7 Cb 0.39 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1hbs h LYS 7 CO -0.38 -0.40 0.00 2.41 -2.81 0.00 0.00 179.45 178.27 1hbs n THR 8 N -5.39 0.03 0.07 1.00 -1.04 0.67 -3.55 114.28 106.08 1hbs n THR 8 Ca -0.10 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 1hbs n THR 8 Cb 0.29 -0.18 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 1hbs n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1hbs h ASN 9 N 0.37 0.00 0.44 8.00 4.21 -1.22 0.15 115.58 127.54 1hbs h ASN 9 Ca 0.00 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.20 1hbs h ASN 9 Cb 0.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1hbs h ASN 9 CO 0.00 0.80 -1.55 0.58 -1.29 0.00 0.00 177.43 175.97 1hbs h VAL 10 N 0.00 1.13 0.10 2.81 2.07 -1.60 -3.07 116.25 117.69 1hbs h VAL 10 Ca -0.06 -2.78 -0.16 0.00 0.82 0.00 0.00 66.70 64.53 1hbs h VAL 10 Cb 1.66 2.74 0.02 0.00 -1.52 0.00 0.00 31.29 34.19 1hbs h VAL 10 CO 0.10 0.81 -0.69 0.11 0.02 0.00 0.00 177.57 177.92 1hbs h LYS 11 N 0.07 0.29 0.01 1.57 1.57 -1.64 0.43 116.57 118.86 1hbs h LYS 11 Ca -0.25 -0.45 -0.19 0.00 -1.87 0.00 0.00 60.65 57.89 1hbs h LYS 11 Cb 2.02 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.47 1hbs h LYS 11 CO 0.16 1.19 -0.88 0.00 -0.57 0.00 0.00 179.45 179.35 1hbs h ALA 12 N 0.13 0.54 -0.21 3.86 0.00 -0.81 -0.11 119.26 122.66 1hbs h ALA 12 Ca -0.11 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 53.96 1hbs h ALA 12 Cb 1.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1hbs h ALA 12 CO 0.13 0.99 -0.20 0.00 0.00 0.00 0.00 179.25 180.17 1hbs h ALA 13 N 1.04 0.30 -0.25 0.00 0.00 -1.63 -2.57 119.26 116.15 1hbs h ALA 13 Ca -0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1hbs h ALA 13 Cb 1.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1hbs h ALA 13 CO 0.13 0.23 -0.12 2.35 0.00 0.00 0.00 179.25 181.84 1hbs h TRP 14 N 0.18 0.44 -0.56 0.00 2.91 -0.18 -2.44 115.95 116.31 1hbs h TRP 14 Ca 0.03 -0.06 0.05 0.00 1.13 0.00 0.00 58.89 60.05 1hbs h TRP 14 Cb 0.74 -0.12 -0.08 0.00 -0.51 0.00 0.00 29.16 29.20 1hbs h TRP 14 CO 0.08 0.53 -0.41 0.78 -1.03 0.00 0.00 178.44 178.38 1hbs h GLY 15 N 0.87 -1.35 2.00 2.65 0.00 -0.72 -1.39 103.07 105.13 1hbs h GLY 15 Ca 0.08 0.85 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1hbs h GLY 15 CO 0.03 -0.28 0.00 1.70 0.00 0.00 0.00 176.54 177.99 1hbs h LYS 16 N -0.11 0.00 0.00 4.80 3.11 -1.32 -1.48 116.57 121.57 1hbs h LYS 16 Ca 0.09 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1hbs h LYS 16 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1hbs h LYS 16 CO -0.58 0.00 0.00 0.28 -2.81 0.00 0.00 179.45 176.34 1hbs n VAL 17 N -2.97 0.42 0.00 2.00 0.31 -0.53 -4.55 118.33 113.02 1hbs n VAL 17 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1hbs n VAL 17 Cb 0.16 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1hbs n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hbs n GLY 18 N 0.69 0.00 0.00 2.92 0.00 -0.56 0.24 105.19 108.48 1hbs n GLY 18 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.03 2.44 0.55 4.61 0.00 -1.26 -4.60 120.51 122.29 1hbs n ALA 19 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.27 1hbs n ALA 19 Cb 0.00 -0.31 0.27 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.74 0.00 -0.11 0.00 8.25 0.65 -3.79 115.22 118.48 1hbs n HIS 20 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1hbs n HIS 20 Cb 0.22 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.08 0.04 -0.69 -1.41 0.00 -1.16 0.41 120.51 116.61 1hbs n ALA 21 Ca 0.06 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1hbs n ALA 21 Cb 0.04 -0.18 0.37 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.17 2.82 0.05 0.00 0.00 -1.25 0.14 105.19 105.78 1hbs n GLY 22 Ca 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1hbs n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hbs n GLU 23 N 0.59 1.91 0.04 1.61 1.02 1.34 -3.07 120.64 124.09 1hbs n GLU 23 Ca 0.25 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.20 1hbs n GLU 23 Cb 1.09 -1.29 -0.14 0.00 -0.02 0.00 0.00 31.44 31.08 1hbs n GLU 23 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1hbs h TYR 24 N 0.00 0.41 0.00 -0.32 0.99 0.26 -2.05 116.97 116.26 1hbs h TYR 24 Ca -0.27 -0.30 -0.05 0.00 2.00 0.00 0.00 58.73 60.11 1hbs h TYR 24 Cb 1.55 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 39.25 1hbs h TYR 24 CO 0.00 1.41 -0.26 0.78 -0.00 0.00 0.00 178.16 180.10 1hbs h GLY 25 N 1.77 0.00 1.39 3.88 0.00 0.10 0.56 103.07 110.78 1hbs h GLY 25 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1hbs h GLY 25 CO 0.14 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 175.64 1hbs h ALA 26 N 1.74 0.65 -0.12 3.60 0.00 -1.51 -3.25 119.26 120.37 1hbs h ALA 26 Ca -0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 1hbs h ALA 26 Cb 0.50 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hbs h ALA 26 CO 0.03 0.77 -0.60 1.49 0.00 0.00 0.00 179.25 180.95 1hbs h GLU 27 N 0.00 0.39 0.00 0.00 4.81 -0.52 -0.62 114.58 118.63 1hbs h GLU 27 Ca -0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1hbs h GLU 27 Cb 1.49 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1hbs h GLU 27 CO 0.05 0.87 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 1hbs n ALA 28 N -2.50 0.00 0.44 2.92 0.00 0.09 0.20 120.51 121.66 1hbs n ALA 28 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1hbs n ALA 28 Cb 0.62 0.06 0.41 0.00 0.00 0.00 0.00 19.45 20.54 1hbs n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hbs h LEU 29 N 0.00 0.00 -0.60 0.00 3.38 -1.62 -2.74 115.31 113.73 1hbs h LEU 29 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1hbs h LEU 29 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1hbs h LEU 29 CO 0.00 0.00 0.32 -0.08 0.09 0.00 0.00 178.44 178.77 1hbs h GLU 30 N 0.00 0.57 -0.83 1.13 4.81 0.39 -2.27 114.58 118.39 1hbs h GLU 30 Ca 0.00 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 1hbs h GLU 30 Cb 0.69 -0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.82 1hbs h GLU 30 CO 0.00 0.38 0.30 0.00 -0.73 0.00 0.00 179.01 178.96 1hbs h ARG 31 N 0.59 0.34 0.67 1.92 2.47 -0.84 -2.70 114.38 116.83 1hbs h ARG 31 Ca 0.27 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.94 1hbs h ARG 31 Cb 0.19 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1hbs h ARG 31 CO -0.18 0.23 -0.32 1.98 0.56 0.00 0.00 179.97 182.23 1hbs h MET 32 N 0.35 -0.87 -0.63 0.04 4.05 -1.13 5.08 114.93 121.82 1hbs h MET 32 Ca 0.49 0.06 0.11 0.00 -0.28 0.00 0.00 59.70 60.08 1hbs h MET 32 Cb 0.89 0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.85 1hbs h MET 32 CO -0.52 -0.58 0.42 0.74 0.23 0.00 0.00 176.91 177.20 1hbs h PHE 33 N -0.99 0.45 0.00 1.39 0.04 -1.12 -2.22 116.94 114.49 1hbs h PHE 33 Ca -0.09 0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.39 1hbs h PHE 33 Cb 0.69 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 1hbs h PHE 33 CO 0.05 0.21 -1.79 1.28 -0.60 0.00 0.00 178.31 177.46 1hbs n LEU 34 N -4.47 0.76 -0.06 1.54 4.77 -1.04 -3.43 117.00 115.08 1hbs n LEU 34 Ca 0.11 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 1hbs n LEU 34 Cb 0.40 0.21 0.50 0.00 -2.33 0.00 0.00 43.42 42.19 1hbs n LEU 34 CO 0.34 0.40 0.76 -1.20 -1.33 0.00 0.00 177.39 176.36 1hbs n SER 35 N -3.00 0.39 -3.03 -1.43 7.64 1.66 -4.35 113.62 111.49 1hbs n SER 35 Ca -0.19 -0.22 -0.18 0.00 1.01 0.00 0.00 58.87 59.30 1hbs n SER 35 Cb 1.06 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 1hbs n SER 35 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1hbs n PHE 36 N -1.23 -1.60 0.00 1.43 3.01 -1.17 -5.07 117.46 112.83 1hbs n PHE 36 Ca 0.10 -2.82 0.00 0.00 1.01 0.00 0.00 57.45 55.74 1hbs n PHE 36 Cb 0.31 0.44 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1hbs n PHE 36 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1hbs n PRO 37 N 1.65 0.00 -0.10 -1.08 -0.02 -1.22 -3.22 135.00 131.00 1hbs n PRO 37 Ca 0.17 0.13 -0.01 0.00 -2.02 0.00 0.00 63.50 61.77 1hbs n PRO 37 Cb 0.56 -1.59 0.25 0.00 -0.02 0.00 0.00 33.50 32.70 1hbs n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1hbs h THR 38 N 0.00 1.20 -0.76 3.45 1.35 -1.91 -2.79 112.91 113.44 1hbs h THR 38 Ca 0.00 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 1hbs h THR 38 Cb 0.18 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 67.16 1hbs h THR 38 CO 0.00 0.25 0.26 0.71 -0.25 0.00 0.00 175.52 176.49 1hbs h THR 39 N 0.75 1.26 -0.00 6.82 1.35 -1.91 1.24 112.91 122.43 1hbs h THR 39 Ca 0.18 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1hbs h THR 39 Cb 0.17 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1hbs h THR 39 CO -0.01 0.36 0.00 0.11 -0.25 0.00 0.00 175.52 175.72 1hbs h LYS 40 N 1.13 0.00 -0.81 4.72 1.57 -1.70 0.38 116.57 121.86 1hbs h LYS 40 Ca 0.25 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.26 1hbs h LYS 40 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1hbs h LYS 40 CO -0.01 0.00 0.58 1.79 -0.57 0.00 0.00 179.45 181.24 1hbs h THR 41 N 0.00 0.60 -0.00 -0.16 1.35 0.15 0.59 112.91 115.44 1hbs h THR 41 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1hbs h THR 41 Cb 0.01 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1hbs h THR 41 CO -0.00 0.00 -0.02 -1.22 -0.25 0.00 0.00 175.52 174.03 1hbs n TYR 42 N -4.30 0.00 -2.60 4.73 4.01 0.12 -3.99 117.16 115.13 1hbs n TYR 42 Ca 0.17 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.68 1hbs n TYR 42 Cb 0.87 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.22 2.88 0.31 -0.72 3.01 0.21 -4.91 117.46 117.02 1hbs n PHE 43 Ca 0.15 -3.17 0.20 0.00 1.01 0.00 0.00 57.45 55.63 1hbs n PHE 43 Cb 0.24 -0.20 1.05 0.00 -0.01 0.00 0.00 39.48 40.56 1hbs n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hbs h PRO 44 N 2.73 0.00 -0.25 -1.08 0.11 -1.69 -2.72 132.00 129.10 1hbs h PRO 44 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1hbs h PRO 44 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1hbs h PRO 44 CO 0.76 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.16 1hbs n HIS 45 N -3.28 0.31 -3.51 0.65 1.44 -1.26 -4.99 115.22 104.57 1hbs n HIS 45 Ca -0.02 -0.16 -0.21 0.00 -2.01 0.00 0.00 57.72 55.32 1hbs n HIS 45 Cb 0.16 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.63 3.31 -0.44 -1.40 2.99 -1.03 -5.05 117.98 114.73 1hbs s PHE 46 Ca 0.34 0.03 -0.18 0.00 0.00 0.00 0.00 56.93 57.12 1hbs s PHE 46 Cb 0.21 -1.91 0.03 0.00 0.00 0.00 0.00 43.02 41.35 1hbs s PHE 46 CO 0.30 0.08 0.48 0.34 -0.00 0.00 0.00 175.22 176.42 1hbs s ASP 47 N -4.10 6.20 -0.42 1.36 2.15 -1.26 -4.85 116.67 115.75 1hbs s ASP 47 Ca 0.41 -0.78 0.05 0.00 0.43 0.00 0.00 52.55 52.67 1hbs s ASP 47 Cb -0.09 -2.24 0.43 0.00 -0.30 0.00 0.00 42.92 40.72 1hbs s ASP 47 CO 0.33 -0.66 1.25 0.00 -0.17 0.00 0.00 175.17 175.92 1hbs n LEU 48 N 5.70 5.14 -4.73 -1.34 -0.00 -1.26 -4.27 117.00 116.24 1hbs n LEU 48 Ca -0.07 -4.96 -0.41 0.00 -0.00 0.00 0.00 56.01 50.57 1hbs n LEU 48 Cb 0.47 -0.48 -0.04 0.00 -0.00 0.00 0.00 43.42 43.37 1hbs n LEU 48 CO 0.48 2.12 0.81 -0.55 -0.00 0.00 0.00 177.39 180.24 1hbs s SER 49 N -3.32 7.23 0.21 1.45 0.15 -1.26 -4.95 113.70 113.20 1hbs s SER 49 Ca 0.50 2.03 -0.32 0.00 0.70 0.00 0.00 55.95 58.86 1hbs s SER 49 Cb 0.41 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.99 1hbs s SER 49 CO -0.10 -0.29 1.46 1.57 1.20 0.00 0.00 173.24 177.08 1hbs n HIS 50 N 2.95 2.16 -0.99 3.44 -0.00 -1.26 -0.60 115.22 120.92 1hbs n HIS 50 Ca 0.05 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1hbs n HIS 50 Cb 0.47 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 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 2.59 0.47 3.67 1.57 0.00 -1.26 -4.99 105.19 107.24 1hbs n GLY 51 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.12 6.71 0.49 1.61 1.04 0.23 -4.82 113.70 116.84 1hbs s SER 52 Ca 0.00 2.23 0.28 0.00 0.48 0.00 0.00 55.95 58.94 1hbs s SER 52 Cb 0.00 -2.54 1.37 0.00 0.10 0.00 0.00 66.02 64.94 1hbs s SER 52 CO 0.00 -0.87 1.84 0.00 0.98 0.00 0.00 173.24 175.19 1hbs h ALA 53 N 8.89 2.70 0.41 5.32 0.00 -1.87 0.59 119.26 135.30 1hbs h ALA 53 Ca -0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1hbs h ALA 53 Cb 1.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1hbs h ALA 53 CO 0.94 -1.01 -0.39 0.37 0.00 0.00 0.00 179.25 179.16 1hbs h GLN 54 N 0.14 -0.78 0.00 0.00 4.15 -1.88 -2.84 115.11 113.90 1hbs h GLN 54 Ca 0.50 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.97 1hbs h GLN 54 Cb 1.73 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.60 1hbs h GLN 54 CO -0.09 -0.52 -0.04 -0.39 -1.93 0.00 0.00 178.83 175.86 1hbs h VAL 55 N -0.81 0.00 -0.01 2.39 -1.51 -0.01 -3.26 116.25 113.04 1hbs h VAL 55 Ca -0.04 -0.60 -0.13 0.00 -1.23 0.00 0.00 66.70 64.71 1hbs h VAL 55 Cb 0.72 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1hbs h VAL 55 CO -0.05 0.00 -0.49 0.11 -1.23 0.00 0.00 177.57 175.91 1hbs h LYS 56 N 0.00 0.34 0.17 5.19 6.56 -1.57 -2.88 116.57 124.38 1hbs h LYS 56 Ca 0.00 -0.36 -0.32 0.00 -1.06 0.00 0.00 60.65 58.91 1hbs h LYS 56 Cb 0.80 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.57 1hbs h LYS 56 CO 0.00 1.04 -1.52 0.78 -2.06 0.00 0.00 179.45 177.69 1hbs h GLY 57 N -0.21 0.42 -0.53 3.86 0.00 -1.55 -3.27 103.07 101.80 1hbs h GLY 57 Ca -0.06 -1.07 0.20 0.00 0.00 0.00 0.00 47.33 46.41 1hbs h GLY 57 CO 0.10 0.93 0.03 0.84 0.00 0.00 0.00 176.54 178.44 1hbs h HIS 58 N 0.10 -0.01 0.06 5.60 6.17 -1.64 -0.28 115.15 125.14 1hbs h HIS 58 Ca -0.25 0.06 0.02 0.00 0.71 0.00 0.00 60.37 60.91 1hbs h HIS 58 Cb 2.07 0.14 -0.04 0.00 2.52 0.00 0.00 27.41 32.10 1hbs h HIS 58 CO 0.09 -0.28 -0.24 0.78 0.71 0.00 0.00 177.93 178.99 1hbs h GLY 59 N 0.09 -0.40 0.93 5.26 0.00 -1.65 23.33 103.07 130.65 1hbs h GLY 59 Ca 0.47 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 48.08 1hbs h GLY 59 CO -0.73 -0.20 0.09 1.70 0.00 0.00 0.00 176.54 177.39 1hbs h LYS 60 N -0.41 0.22 -0.02 4.80 3.64 -1.51 12.96 116.57 136.26 1hbs h LYS 60 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1hbs h LYS 60 Cb 0.46 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1hbs h LYS 60 CO -0.17 0.24 -0.00 0.87 -2.27 0.00 0.00 179.45 178.11 1hbs h LYS 61 N 0.15 0.04 0.41 1.90 1.57 -0.88 -0.46 116.57 119.30 1hbs h LYS 61 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1hbs h LYS 61 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1hbs h LYS 61 CO -0.01 0.38 -0.20 0.28 -0.57 0.00 0.00 179.45 179.33 1hbs h VAL 62 N -0.30 0.56 0.00 0.50 2.07 5.57 -2.38 116.25 122.27 1hbs h VAL 62 Ca 0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1hbs h VAL 62 Cb 0.36 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1hbs h VAL 62 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1hbs n ALA 63 N -2.47 2.32 -0.02 1.67 0.00 4.04 -4.01 120.51 122.04 1hbs n ALA 63 Ca -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 1hbs n ALA 63 Cb 0.28 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.46 1hbs n ALA 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hbs h ASP 64 N 0.00 0.59 0.92 0.00 3.32 -0.55 -2.78 116.42 117.92 1hbs h ASP 64 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1hbs h ASP 64 Cb 0.27 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1hbs h ASP 64 CO 0.00 0.82 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 1hbs n ALA 65 N -2.49 2.16 0.10 3.45 0.00 -1.17 -1.41 120.51 121.14 1hbs n ALA 65 Ca -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1hbs n ALA 65 Cb 0.41 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.29 1hbs n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hbs h LEU 66 N 0.00 0.64 -0.41 0.00 4.07 -1.77 -2.13 115.31 115.71 1hbs h LEU 66 Ca 0.00 -0.83 -0.18 0.00 0.08 0.00 0.00 57.88 56.95 1hbs h LEU 66 Cb 0.46 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1hbs h LEU 66 CO 0.00 1.68 -0.67 0.74 -1.08 0.00 0.00 178.44 179.11 1hbs h THR 67 N 0.11 1.34 0.00 0.22 2.02 -1.46 1.12 112.91 116.27 1hbs h THR 67 Ca -0.29 -1.99 -0.12 0.00 0.77 0.00 0.00 66.41 64.78 1hbs h THR 67 Cb 2.10 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.46 1hbs h THR 67 CO 0.21 0.61 -0.58 -1.13 0.37 0.00 0.00 175.52 174.99 1hbs h ASN 68 N 0.37 0.00 0.39 4.18 -1.24 -1.32 -2.39 115.58 115.57 1hbs h ASN 68 Ca -0.02 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.75 1hbs h ASN 68 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1hbs h ASN 68 CO 0.12 0.58 -1.03 0.00 -1.29 0.00 0.00 177.43 175.82 1hbs h ALA 69 N 1.42 0.28 -0.82 1.57 0.00 -1.04 -2.40 119.26 118.26 1hbs h ALA 69 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.19 1hbs h ALA 69 Cb 1.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1hbs h ALA 69 CO 0.08 0.84 0.52 0.28 0.00 0.00 0.00 179.25 180.97 1hbs h VAL 70 N 0.20 1.10 0.00 0.00 2.07 0.18 -2.11 116.25 117.69 1hbs h VAL 70 Ca -0.10 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1hbs h VAL 70 Cb 1.69 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1hbs h VAL 70 CO 0.18 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1hbs h ALA 71 N 1.36 1.00 0.00 1.67 0.00 -1.52 -3.37 119.26 118.40 1hbs h ALA 71 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1hbs h ALA 71 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hbs h ALA 71 CO -0.13 0.00 -0.35 0.72 0.00 0.00 0.00 179.25 179.49 1hbs n HIS 72 N -2.38 0.00 -0.45 0.00 -0.00 -0.83 -4.89 115.22 106.67 1hbs n HIS 72 Ca 0.03 -0.33 0.41 0.00 -0.00 0.00 0.00 57.72 57.83 1hbs n HIS 72 Cb 0.32 -0.08 0.71 0.00 -0.00 0.00 0.00 29.99 30.94 1hbs n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1hbs h VAL 73 N 4.74 0.12 0.00 1.59 3.04 -1.62 4.46 116.25 128.58 1hbs h VAL 73 Ca -0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.54 1hbs h VAL 73 Cb 1.28 0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1hbs h VAL 73 CO 0.00 0.00 -1.18 0.44 -1.01 0.00 0.00 177.57 175.82 1hbs h ASP 74 N 0.00 0.00 -0.60 3.17 3.32 -1.90 -3.42 116.42 116.99 1hbs h ASP 74 Ca 0.70 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.47 1hbs h ASP 74 Cb 3.05 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 42.23 1hbs h ASP 74 CO -0.01 0.53 -1.05 0.47 -1.72 0.00 0.00 179.24 177.46 1hbs n ASP 75 N -2.95 1.13 0.05 6.45 9.92 1.44 -5.01 116.55 127.59 1hbs n ASP 75 Ca -0.06 -2.32 0.06 0.00 -0.53 0.00 0.00 54.79 51.94 1hbs n ASP 75 Cb 0.80 -0.34 0.49 0.00 -0.64 0.00 0.00 41.12 41.43 1hbs n ASP 75 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1hbs h MET 76 N 2.62 0.38 -0.55 -1.24 2.86 -1.15 -3.08 114.93 114.78 1hbs h MET 76 Ca -0.15 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1hbs h MET 76 Cb 1.24 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.73 1hbs h MET 76 CO 0.27 0.25 0.07 -1.35 1.06 0.00 0.00 176.91 177.21 1hbs h PRO 77 N 0.40 0.18 0.26 -0.22 0.11 -1.95 -2.07 132.00 128.71 1hbs h PRO 77 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1hbs h PRO 77 Cb 0.04 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1hbs h PRO 77 CO -0.03 0.12 -0.26 -0.91 -0.21 0.00 0.00 178.00 176.71 1hbs h ASN 78 N 0.19 -0.70 -0.62 -2.05 -0.26 -1.94 0.83 115.58 111.03 1hbs h ASN 78 Ca 0.28 0.06 0.12 0.00 -0.56 0.00 0.00 56.30 56.21 1hbs h ASN 78 Cb 0.42 0.24 -0.12 0.00 -1.06 0.00 0.00 38.32 37.80 1hbs h ASN 78 CO -0.41 -0.38 -0.24 0.00 -1.06 0.00 0.00 177.43 175.34 1hbs h ALA 79 N 0.08 0.22 -0.43 -0.83 0.00 -1.46 0.17 119.26 117.01 1hbs h ALA 79 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1hbs h ALA 79 Cb 0.51 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1hbs h ALA 79 CO -0.06 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 179.94 1hbs n LEU 80 N -5.44 3.21 -0.01 0.00 4.77 -0.80 -4.47 117.00 114.26 1hbs n LEU 80 Ca 0.06 -2.05 0.01 0.00 -0.03 0.00 0.00 56.01 54.00 1hbs n LEU 80 Cb 0.35 -0.30 0.33 0.00 -2.33 0.00 0.00 43.42 41.46 1hbs n LEU 80 CO 0.02 0.78 1.01 -1.28 -1.33 0.00 0.00 177.39 176.59 1hbs h SER 81 N 2.52 0.50 -0.41 -1.43 0.87 0.38 8.10 113.55 124.08 1hbs h SER 81 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1hbs h SER 81 Cb 0.83 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1hbs h SER 81 CO 0.01 0.51 0.27 0.00 -0.53 0.00 0.00 176.83 177.09 1hbs h ALA 82 N 1.56 0.52 0.00 6.23 0.00 -1.78 0.73 119.26 126.52 1hbs h ALA 82 Ca 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1hbs h ALA 82 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hbs h ALA 82 CO -0.00 -0.02 -0.30 1.25 0.00 0.00 0.00 179.25 180.18 1hbs h LEU 83 N 0.56 0.00 -0.82 0.00 6.46 -1.11 -2.59 115.31 117.80 1hbs h LEU 83 Ca 0.15 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 1hbs h LEU 83 Cb -0.05 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1hbs h LEU 83 CO -0.03 0.30 0.06 -1.28 -0.62 0.00 0.00 178.44 176.87 1hbs h SER 84 N 0.00 0.90 0.68 1.25 0.87 2.34 -3.13 113.55 116.47 1hbs h SER 84 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1hbs h SER 84 Cb 0.60 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1hbs h SER 84 CO 0.04 0.93 0.00 0.44 -0.53 0.00 0.00 176.83 177.71 1hbs h ASP 85 N 0.88 0.00 0.02 6.23 5.19 -0.65 -3.29 116.42 124.80 1hbs h ASP 85 Ca 0.18 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.30 1hbs h ASP 85 Cb 0.44 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1hbs h ASP 85 CO 0.01 0.00 -1.58 -0.11 -3.12 0.00 0.00 179.24 174.44 1hbs n LEU 86 N -2.96 2.02 0.14 1.55 7.94 -1.20 -3.79 117.00 120.69 1hbs n LEU 86 Ca -0.00 0.37 -0.12 0.00 -1.11 0.00 0.00 56.01 55.15 1hbs n LEU 86 Cb 0.22 -0.97 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 1hbs n LEU 86 CO 0.24 0.42 0.51 0.45 -1.11 0.00 0.00 177.39 177.90 1hbs h HIS 87 N -0.82 -0.99 -0.40 1.96 3.86 -1.65 -2.22 115.15 114.89 1hbs h HIS 87 Ca -0.42 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.78 1hbs h HIS 87 Cb 1.47 0.41 -0.02 0.00 1.06 0.00 0.00 27.41 30.33 1hbs h HIS 87 CO 0.07 -0.43 0.10 0.00 0.86 0.00 0.00 177.93 178.53 1hbs h ALA 88 N -1.03 1.43 0.00 2.45 0.00 -1.78 0.09 119.26 120.42 1hbs h ALA 88 Ca -0.02 -0.16 -0.43 0.00 0.00 0.00 0.00 54.91 54.30 1hbs h ALA 88 Cb 0.55 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1hbs h ALA 88 CO -0.12 0.42 -2.47 0.72 0.00 0.00 0.00 179.25 177.80 1hbs n HIS 89 N -4.33 0.07 0.00 0.00 8.25 -1.22 -4.53 115.22 113.46 1hbs n HIS 89 Ca 0.02 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1hbs n HIS 89 Cb 0.19 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.29 1hbs n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hbs n LYS 90 N -3.85 0.00 -0.32 -0.41 4.01 -1.10 -4.75 118.16 111.74 1hbs n LYS 90 Ca -0.50 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.43 1hbs n LYS 90 Cb 0.93 -0.57 0.07 0.00 -0.51 0.00 0.00 35.03 34.95 1hbs n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1hbs h LEU 91 N 0.00 -1.12 -1.83 -0.35 3.38 -1.44 -3.46 115.31 110.49 1hbs h LEU 91 Ca 0.00 0.28 -0.51 0.00 0.09 0.00 0.00 57.88 57.73 1hbs h LEU 91 Cb 0.00 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1hbs h LEU 91 CO 0.00 -0.30 -0.89 0.54 0.09 0.00 0.00 178.44 177.89 1hbs n ARG 92 N -5.51 -3.14 -2.51 1.13 1.74 0.02 -4.91 116.66 103.49 1hbs n ARG 92 Ca 0.11 0.38 -0.40 0.00 -0.77 0.00 0.00 57.85 57.16 1hbs n ARG 92 Cb 0.41 -4.53 -0.04 0.00 -1.02 0.00 0.00 32.46 27.28 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 -3.92 3.60 -0.28 1.55 1.01 -1.25 -4.91 120.40 116.21 1hbs s VAL 93 Ca 0.08 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1hbs s VAL 93 Cb -0.05 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 1hbs s VAL 93 CO 0.90 0.36 1.35 -0.62 0.00 0.00 0.00 175.10 177.09 1hbs s ASP 94 N -0.78 6.65 0.30 3.32 2.15 -1.26 -4.91 116.67 122.14 1hbs s ASP 94 Ca 0.45 1.31 0.07 0.00 0.43 0.00 0.00 52.55 54.81 1hbs s ASP 94 Cb -0.31 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.16 1hbs s ASP 94 CO 0.39 -1.08 1.04 -0.81 -0.17 0.00 0.00 175.17 174.54 1hbs n PRO 95 N 7.31 0.05 0.16 4.34 -0.04 -1.26 -0.92 135.00 144.65 1hbs n PRO 95 Ca 0.15 0.50 0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1hbs n PRO 95 Cb 0.46 -2.14 0.26 0.00 -0.04 0.00 0.00 33.50 32.04 1hbs n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1hbs h VAL 96 N 0.00 1.28 0.00 0.52 2.07 -2.00 -2.71 116.25 115.41 1hbs h VAL 96 Ca 0.00 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1hbs h VAL 96 Cb 0.94 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1hbs h VAL 96 CO 0.00 0.49 -0.66 0.78 0.02 0.00 0.00 177.57 178.20 1hbs h ASN 97 N 0.00 0.00 -0.46 0.57 4.21 -1.43 -3.31 115.58 115.16 1hbs h ASN 97 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1hbs h ASN 97 Cb 0.92 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.10 1hbs h ASN 97 CO 0.06 0.07 0.24 -0.26 -1.29 0.00 0.00 177.43 176.25 1hbs h PHE 98 N 0.00 0.65 -0.04 1.19 0.04 -1.62 -2.20 116.94 114.95 1hbs h PHE 98 Ca -0.01 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1hbs h PHE 98 Cb 1.06 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1hbs h PHE 98 CO 0.00 0.50 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.79 1hbs h LYS 99 N 0.61 0.06 -0.48 1.51 1.63 -1.68 -0.46 116.57 117.75 1hbs h LYS 99 Ca 0.16 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1hbs h LYS 99 Cb 0.08 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1hbs h LYS 99 CO -0.02 0.26 0.15 -0.07 -3.45 0.00 0.00 179.45 176.32 1hbs h LEU 100 N 0.06 0.71 0.00 5.20 -0.00 -1.56 -0.08 115.31 119.64 1hbs h LEU 100 Ca 0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1hbs h LEU 100 Cb 0.39 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1hbs h LEU 100 CO 0.03 0.73 -0.02 0.25 -0.00 0.00 0.00 178.44 179.42 1hbs h LEU 101 N 0.65 0.00 -1.17 1.67 5.85 -1.74 -1.78 115.31 118.79 1hbs h LEU 101 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1hbs h LEU 101 Cb 0.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1hbs h LEU 101 CO -0.00 0.51 -0.12 0.77 -0.34 0.00 0.00 178.44 179.25 1hbs h SER 102 N -0.99 0.00 -0.26 1.25 4.64 -0.90 -1.89 113.55 115.40 1hbs h SER 102 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1hbs h SER 102 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1hbs h SER 102 CO 0.00 0.12 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.31 1hbs h HIS 103 N 0.00 -0.07 0.00 4.77 -0.00 -0.55 -3.18 115.15 116.13 1hbs h HIS 103 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1hbs h HIS 103 Cb 0.67 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1hbs h HIS 103 CO 0.00 -0.08 -0.05 0.00 -0.00 0.00 0.00 177.93 177.81 1hbs h LEU 105 N 0.00 0.00 -0.11 0.00 4.07 -1.61 -2.94 115.31 114.72 1hbs h LEU 105 Ca -0.00 -0.68 0.01 0.00 0.08 0.00 0.00 57.88 57.29 1hbs h LEU 105 Cb 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1hbs h LEU 105 CO 0.01 0.91 -0.07 -0.11 -1.08 0.00 0.00 178.44 178.10 1hbs n LEU 106 N -4.64 -0.12 -0.25 1.67 7.94 -1.20 0.92 117.00 121.32 1hbs n LEU 106 Ca -0.09 1.02 -0.00 0.00 -1.11 0.00 0.00 56.01 55.82 1hbs n LEU 106 Cb 0.37 -0.44 0.07 0.00 0.53 0.00 0.00 43.42 43.96 1hbs n LEU 106 CO 0.24 -0.57 0.69 0.58 -1.11 0.00 0.00 177.39 177.22 1hbs h VAL 107 N 0.00 0.23 0.00 1.96 2.07 -1.73 0.10 116.25 118.88 1hbs h VAL 107 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1hbs h VAL 107 Cb 0.05 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1hbs h VAL 107 CO -0.10 0.00 0.00 0.74 0.02 0.00 0.00 177.57 178.23 1hbs h THR 108 N -0.03 0.00 0.00 2.57 2.02 0.73 -3.33 112.91 114.87 1hbs h THR 108 Ca 0.33 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1hbs h THR 108 Cb 0.55 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1hbs h THR 108 CO -0.76 0.00 -0.43 -0.07 0.37 0.00 0.00 175.52 174.63 1hbs h LEU 109 N 0.00 0.00 0.03 2.58 4.07 0.49 -3.13 115.31 119.35 1hbs h LEU 109 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1hbs h LEU 109 Cb 0.82 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 1hbs h LEU 109 CO 0.00 0.43 -0.19 0.00 -1.08 0.00 0.00 178.44 177.60 1hbs h ALA 110 N 1.57 -0.26 -0.66 1.53 0.00 -1.65 -0.97 119.26 118.82 1hbs h ALA 110 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hbs h ALA 110 Cb 0.98 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1hbs h ALA 110 CO 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1hbs n ALA 111 N -2.53 2.47 -0.04 0.00 0.00 -1.24 -4.27 120.51 114.89 1hbs n ALA 111 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1hbs n ALA 111 Cb 0.24 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.40 0.00 -3.20 0.00 -0.00 -0.83 -4.86 115.22 107.74 1hbs n HIS 112 Ca 0.22 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.72 1hbs n HIS 112 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.52 1hbs n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hbs n LEU 113 N -0.32 1.12 -0.24 2.41 4.77 -0.43 -4.97 117.00 119.34 1hbs n LEU 113 Ca 0.00 -4.95 -0.04 0.00 -0.03 0.00 0.00 56.01 50.99 1hbs n LEU 113 Cb 0.01 0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1hbs n LEU 113 CO 0.00 2.16 0.62 1.55 -1.33 0.00 0.00 177.39 180.39 1hbs h PRO 114 N 3.65 -0.12 -1.01 3.23 0.13 -1.78 -3.17 132.00 132.93 1hbs h PRO 114 Ca 0.10 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.84 1hbs h PRO 114 Cb 0.85 0.03 -0.41 0.00 0.13 0.00 0.00 31.00 31.61 1hbs h PRO 114 CO 0.54 -0.08 -1.08 0.00 -0.23 0.00 0.00 178.00 177.15 1hbs n ALA 115 N -3.22 3.69 -0.02 -0.56 0.00 -1.26 -4.62 120.51 114.52 1hbs n ALA 115 Ca 0.06 -3.33 -0.01 0.00 0.00 0.00 0.00 53.44 50.15 1hbs n ALA 115 Cb 0.37 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.24 2.45 -1.92 0.00 1.02 -1.20 -4.76 120.64 116.00 1hbs n GLU 116 Ca 0.16 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1hbs n GLU 116 Cb 0.79 -1.11 -0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1hbs n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1hbs n PHE 117 N -2.02 3.03 -1.52 -0.32 7.35 -1.23 -4.89 117.46 117.86 1hbs n PHE 117 Ca -0.05 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1hbs n PHE 117 Cb 0.49 -2.24 0.09 0.00 0.35 0.00 0.00 39.48 38.17 1hbs n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hbs s THR 118 N 1.48 3.24 0.18 -2.13 -4.23 -1.26 -4.76 115.64 108.17 1hbs s THR 118 Ca 0.49 0.40 0.25 0.00 -1.18 0.00 0.00 61.69 61.65 1hbs s THR 118 Cb 0.14 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 71.10 1hbs s THR 118 CO -0.05 -0.53 1.87 1.55 -0.54 0.00 0.00 174.62 176.91 1hbs h PRO 119 N -1.05 0.00 0.00 3.99 0.13 -2.00 1.15 132.00 134.22 1hbs h PRO 119 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hbs h PRO 119 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hbs h PRO 119 CO 0.58 0.21 -0.19 0.00 -0.23 0.00 0.00 178.00 178.37 1hbs h ALA 120 N 1.79 0.90 0.03 -0.56 0.00 -1.99 -2.95 119.26 116.49 1hbs h ALA 120 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1hbs h ALA 120 Cb 0.68 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1hbs h ALA 120 CO 0.03 0.02 -1.26 0.28 0.00 0.00 0.00 179.25 178.31 1hbs h VAL 121 N 0.00 0.96 -0.44 0.00 2.07 -0.99 -3.23 116.25 114.62 1hbs h VAL 121 Ca -0.00 -2.23 0.03 0.00 0.82 0.00 0.00 66.70 65.32 1hbs h VAL 121 Cb 1.01 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1hbs h VAL 121 CO 0.00 0.44 0.23 -0.74 0.02 0.00 0.00 177.57 177.53 1hbs h HIS 122 N -0.80 0.43 -0.15 1.57 6.17 0.11 0.90 115.15 123.38 1hbs h HIS 122 Ca -0.33 0.02 0.01 0.00 0.71 0.00 0.00 60.37 60.78 1hbs h HIS 122 Cb 1.41 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 31.19 1hbs h HIS 122 CO 0.11 0.23 -0.09 0.00 0.71 0.00 0.00 177.93 178.90 1hbs n ALA 123 N -2.29 -0.09 -0.18 5.26 0.00 -1.11 0.57 120.51 122.66 1hbs n ALA 123 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1hbs n ALA 123 Cb 0.10 0.31 0.04 0.00 0.00 0.00 0.00 19.45 19.89 1hbs n ALA 123 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1hbs h SER 124 N 0.00 -0.65 -0.23 0.00 0.02 -1.52 -0.95 113.55 110.23 1hbs h SER 124 Ca 0.02 0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.96 1hbs h SER 124 Cb 0.06 0.39 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1hbs h SER 124 CO -0.14 -0.22 -0.61 -0.07 -1.14 0.00 0.00 176.83 174.66 1hbs h LEU 125 N -0.05 0.95 -0.15 5.07 3.38 0.30 -1.97 115.31 122.84 1hbs h LEU 125 Ca 0.26 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1hbs h LEU 125 Cb 0.45 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1hbs h LEU 125 CO -0.59 1.33 -0.49 -0.78 0.09 0.00 0.00 178.44 178.00 1hbs h ASP 126 N 0.62 -1.57 -0.77 -0.43 3.58 1.64 3.33 116.42 122.82 1hbs h ASP 126 Ca -0.00 0.20 0.18 0.00 0.42 0.00 0.00 57.03 57.82 1hbs h ASP 126 Cb 1.22 0.62 -0.12 0.00 1.72 0.00 0.00 39.33 42.78 1hbs h ASP 126 CO 0.13 -0.46 0.19 0.11 -2.88 0.00 0.00 179.24 176.33 1hbs h LYS 127 N -0.54 0.25 0.05 0.28 6.56 -1.56 2.10 116.57 123.71 1hbs h LYS 127 Ca 0.06 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1hbs h LYS 127 Cb 0.66 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1hbs h LYS 127 CO -0.44 0.17 -0.02 0.35 -2.06 0.00 0.00 179.45 177.45 1hbs h PHE 128 N 0.26 -0.06 -0.79 -1.35 3.57 -0.41 0.18 116.94 118.35 1hbs h PHE 128 Ca 0.45 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.08 1hbs h PHE 128 Cb 0.80 0.02 -0.14 0.00 2.79 0.00 0.00 35.95 39.42 1hbs h PHE 128 CO -0.27 -0.02 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.38 1hbs h LEU 129 N -0.08 -1.24 -0.52 0.59 3.38 2.12 -0.98 115.31 118.59 1hbs h LEU 129 Ca -0.01 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1hbs h LEU 129 Cb 0.06 0.65 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1hbs h LEU 129 CO 0.01 -0.30 -0.44 0.00 0.09 0.00 0.00 178.44 177.80 1hbs h ALA 130 N 1.24 -0.56 -0.14 1.53 0.00 -1.34 -2.97 119.26 117.01 1hbs h ALA 130 Ca 0.30 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1hbs h ALA 130 Cb 0.58 1.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1hbs h ALA 130 CO -0.83 -0.82 0.01 0.77 0.00 0.00 0.00 179.25 178.38 1hbs h SER 131 N -0.17 -0.03 0.27 0.00 0.02 0.60 -3.00 113.55 111.24 1hbs h SER 131 Ca 0.09 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1hbs h SER 131 Cb 0.40 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1hbs h SER 131 CO -0.58 0.00 -0.25 0.58 -1.14 0.00 0.00 176.83 175.44 1hbs h VAL 132 N 0.06 0.46 0.00 2.27 2.07 -1.08 -2.91 116.25 117.12 1hbs h VAL 132 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1hbs h VAL 132 Cb 0.07 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1hbs h VAL 132 CO -0.10 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.29 1hbs n SER 133 N -5.38 0.00 0.00 0.57 7.64 -1.14 -3.29 113.62 112.03 1hbs n SER 133 Ca -0.09 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1hbs n SER 133 Cb 0.28 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1hbs n SER 133 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1hbs n THR 134 N -1.39 0.00 -0.03 0.44 -1.04 -1.14 0.18 114.28 111.31 1hbs n THR 134 Ca 0.05 0.91 -0.03 0.00 -2.04 0.00 0.00 64.05 62.94 1hbs n THR 134 Cb 0.14 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1hbs n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1hbs h VAL 135 N 0.00 0.00 -0.62 12.58 2.07 -1.58 14.02 116.25 142.72 1hbs h VAL 135 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1hbs h VAL 135 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1hbs h VAL 135 CO 0.00 0.00 0.43 0.25 0.02 0.00 0.00 177.57 178.27 1hbs h LEU 136 N -0.11 0.13 -0.45 2.57 7.12 -1.67 -2.13 115.31 120.77 1hbs h LEU 136 Ca 0.02 0.01 -0.17 0.00 0.13 0.00 0.00 57.88 57.86 1hbs h LEU 136 Cb 0.15 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1hbs h LEU 136 CO -0.14 0.07 -0.76 0.74 -0.13 0.00 0.00 178.44 178.22 1hbs h THR 137 N 0.14 1.46 -0.93 1.05 2.02 4.21 -3.40 112.91 117.46 1hbs h THR 137 Ca 0.30 -2.38 0.20 0.00 0.77 0.00 0.00 66.41 65.30 1hbs h THR 137 Cb 0.98 2.29 -0.18 0.00 -1.74 0.00 0.00 68.15 69.50 1hbs h THR 137 CO -0.04 0.69 -0.18 -1.54 0.37 0.00 0.00 175.52 174.83 1hbs n SER 138 N -3.73 -0.28 -0.38 4.18 3.41 0.32 -0.94 113.62 116.19 1hbs n SER 138 Ca -0.03 1.60 0.30 0.00 -0.26 0.00 0.00 58.87 60.48 1hbs n SER 138 Cb 0.73 -0.51 0.57 0.00 -0.26 0.00 0.00 64.21 64.74 1hbs n SER 138 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hbs h LYS 139 N 0.00 0.19 -6.17 4.33 1.79 -1.78 -3.36 116.57 111.58 1hbs h LYS 139 Ca 0.47 -0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 58.38 1hbs h LYS 139 Cb 0.79 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1hbs h LYS 139 CO -0.94 0.13 1.32 0.71 -1.08 0.00 0.00 179.45 179.58 1hbs s TYR 140 N -5.47 1.72 -1.66 -1.35 2.02 -0.12 -4.97 117.35 107.52 1hbs s TYR 140 Ca -0.09 0.70 0.13 0.00 -0.37 0.00 0.00 57.07 57.45 1hbs s TYR 140 Cb 0.30 -4.09 0.11 0.00 -0.40 0.00 0.00 41.96 37.88 1hbs s TYR 140 CO 0.80 -2.83 0.92 0.54 -1.57 0.00 0.00 175.55 173.41