#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qss s LEU 2 N 0.00 4.38 0.79 6.55 1.43 -1.26 -5.01 118.68 125.55 2qss s LEU 2 Ca 0.00 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 2qss s LEU 2 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.69 2qss s LEU 2 CO 0.00 -0.73 1.09 -0.94 0.23 0.00 0.00 176.35 176.00 2qss s SER 3 N 0.92 4.56 0.32 2.29 1.04 -1.26 -4.86 113.70 116.71 2qss s SER 3 Ca 0.65 1.33 0.02 0.00 0.48 0.00 0.00 55.95 58.43 2qss s SER 3 Cb -0.41 -2.07 0.58 0.00 0.10 0.00 0.00 66.02 64.22 2qss s SER 3 CO 0.34 -1.93 1.92 0.00 0.98 0.00 0.00 173.24 174.55 2qss h ALA 4 N -1.06 1.56 -0.65 5.32 0.00 -1.99 -0.71 119.26 121.72 2qss h ALA 4 Ca -0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2qss h ALA 4 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2qss h ALA 4 CO 0.59 0.31 0.24 0.00 0.00 0.00 0.00 179.25 180.40 2qss h ALA 5 N 1.53 0.85 -0.32 0.00 0.00 -1.99 -1.32 119.26 118.01 2qss h ALA 5 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qss h ALA 5 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2qss h ALA 5 CO -0.13 0.49 0.21 -0.44 0.00 0.00 0.00 179.25 179.37 2qss h ASP 6 N 0.93 0.37 -0.56 0.00 3.32 -1.73 -0.82 116.42 117.92 2qss h ASP 6 Ca 0.22 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.31 2qss h ASP 6 Cb 0.24 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2qss h ASP 6 CO -0.01 0.27 0.28 0.11 -1.72 0.00 0.00 179.24 178.17 2qss h LYS 7 N 0.43 0.52 -0.34 3.56 1.57 -0.93 0.28 116.57 121.67 2qss h LYS 7 Ca 0.12 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2qss h LYS 7 Cb -0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 2qss h LYS 7 CO -0.03 0.34 0.05 0.78 -0.57 0.00 0.00 179.45 180.03 2qss h GLY 8 N 0.54 0.38 0.99 3.86 0.00 -0.88 -1.31 103.07 106.64 2qss h GLY 8 Ca 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2qss h GLY 8 CO -0.18 -0.04 0.31 3.43 0.00 0.00 0.00 176.54 180.06 2qss h ASN 9 N 0.16 0.68 -0.28 0.19 -0.26 -0.62 -1.65 115.58 113.79 2qss h ASN 9 Ca 0.16 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2qss h ASN 9 Cb 0.20 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 2qss h ASN 9 CO -0.23 0.56 0.13 0.58 -1.06 0.00 0.00 177.43 177.41 2qss h VAL 10 N 0.74 1.16 -0.56 2.81 2.07 -0.68 -1.47 116.25 120.32 2qss h VAL 10 Ca 0.20 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2qss h VAL 10 Cb 0.02 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2qss h VAL 10 CO -0.03 0.16 -0.00 0.11 0.02 0.00 0.00 177.57 177.83 2qss h LYS 11 N 0.32 1.00 -0.37 1.57 1.57 -1.16 -0.14 116.57 119.35 2qss h LYS 11 Ca 0.10 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 2qss h LYS 11 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2qss h LYS 11 CO -0.01 0.99 -0.28 0.00 -0.57 0.00 0.00 179.45 179.59 2qss h ALA 12 N 0.97 0.54 -0.51 3.86 0.00 -1.25 -0.25 119.26 122.61 2qss h ALA 12 Ca 0.16 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2qss h ALA 12 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qss h ALA 12 CO 0.03 0.56 0.18 0.00 0.00 0.00 0.00 179.25 180.02 2qss h ALA 13 N 0.78 0.67 -0.25 0.00 0.00 -1.06 -1.36 119.26 118.03 2qss h ALA 13 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2qss h ALA 13 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qss h ALA 13 CO 0.07 0.30 -0.23 2.35 0.00 0.00 0.00 179.25 181.75 2qss h TRP 14 N 0.69 0.53 -0.96 0.00 2.91 -0.85 -1.36 115.95 116.91 2qss h TRP 14 Ca 0.17 -0.10 0.04 0.00 1.13 0.00 0.00 58.89 60.12 2qss h TRP 14 Cb 0.23 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 2qss h TRP 14 CO 0.01 0.67 0.62 0.78 -1.03 0.00 0.00 178.44 179.49 2qss h GLY 15 N 1.00 1.41 1.66 2.65 0.00 -0.59 -1.62 103.07 107.57 2qss h GLY 15 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2qss h GLY 15 CO 0.05 0.40 -0.18 0.50 0.00 0.00 0.00 176.54 177.30 2qss h LYS 16 N 1.20 0.41 -0.71 4.80 1.79 -0.39 -1.41 116.57 122.26 2qss h LYS 16 Ca 0.39 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 2qss h LYS 16 Cb 0.02 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2qss h LYS 16 CO -0.13 0.58 0.28 0.28 -1.08 0.00 0.00 179.45 179.39 2qss h VAL 17 N 0.37 1.24 0.00 0.50 2.07 -0.69 -3.45 116.25 116.29 2qss h VAL 17 Ca 0.07 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2qss h VAL 17 Cb 0.54 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2qss h VAL 17 CO 0.04 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.54 2qss n GLY 18 N -0.94 2.99 0.00 2.17 0.00 -0.53 -1.29 105.19 107.59 2qss n GLY 18 Ca 0.06 0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.48 2qss n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qss n GLY 19 N 0.00 -0.89 1.23 -0.02 0.00 -1.26 -3.48 105.19 100.77 2qss n GLY 19 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2qss n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qss n HIS 20 N -1.03 0.71 -0.00 1.61 8.25 -0.41 -4.66 115.22 119.69 2qss n HIS 20 Ca 0.20 -0.36 -0.10 0.00 -0.26 0.00 0.00 57.72 57.20 2qss n HIS 20 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2qss n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qss h ALA 21 N 4.42 -0.34 -0.83 -1.41 0.00 -1.72 0.25 119.26 119.63 2qss h ALA 21 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qss h ALA 21 Cb 0.97 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2qss h ALA 21 CO 0.00 -0.78 0.55 0.00 0.00 0.00 0.00 179.25 179.02 2qss h ALA 22 N 0.47 1.05 -0.67 0.00 0.00 -1.85 -0.15 119.26 118.11 2qss h ALA 22 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qss h ALA 22 Cb 0.53 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2qss h ALA 22 CO -0.36 0.45 0.41 1.49 0.00 0.00 0.00 179.25 181.24 2qss h GLU 23 N 1.11 0.90 -0.07 0.00 4.81 -1.70 -1.72 114.58 117.91 2qss h GLU 23 Ca 0.31 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 2qss h GLU 23 Cb -0.11 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 2qss h GLU 23 CO -0.07 0.64 -0.55 1.88 -0.73 0.00 0.00 179.01 180.18 2qss h TYR 24 N 0.91 0.27 -0.38 0.92 0.05 -0.40 -1.31 116.97 117.03 2qss h TYR 24 Ca 0.24 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 2qss h TYR 24 Cb -0.04 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2qss h TYR 24 CO -0.02 0.71 0.10 0.78 -1.05 0.00 0.00 178.16 178.69 2qss h GLY 25 N 1.43 0.65 1.04 3.88 0.00 -0.77 0.17 103.07 109.46 2qss h GLY 25 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 2qss h GLY 25 CO 0.08 0.37 0.16 0.00 0.00 0.00 0.00 176.54 177.16 2qss h ALA 26 N 0.95 0.85 -0.49 3.60 0.00 -1.09 -2.02 119.26 121.05 2qss h ALA 26 Ca 0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2qss h ALA 26 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qss h ALA 26 CO -0.00 0.56 -0.14 1.49 0.00 0.00 0.00 179.25 181.16 2qss h GLU 27 N 0.95 0.94 -0.57 0.00 4.81 -0.88 -1.76 114.58 118.08 2qss h GLU 27 Ca 0.20 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2qss h GLU 27 Cb 0.35 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2qss h GLU 27 CO 0.00 1.01 0.26 0.00 -0.73 0.00 0.00 179.01 179.56 2qss h ALA 28 N 1.00 0.74 -0.39 2.92 0.00 -0.44 -0.31 119.26 122.79 2qss h ALA 28 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qss h ALA 28 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qss h ALA 28 CO 0.05 0.32 0.23 -0.07 0.00 0.00 0.00 179.25 179.79 2qss h LEU 29 N 0.78 0.38 -0.26 0.00 3.38 -1.22 0.37 115.31 118.75 2qss h LEU 29 Ca 0.20 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2qss h LEU 29 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2qss h LEU 29 CO -0.02 0.28 0.14 -0.08 0.09 0.00 0.00 178.44 178.84 2qss h GLU 30 N 0.48 0.28 -0.53 1.13 4.81 -0.80 0.39 114.58 120.33 2qss h GLU 30 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2qss h GLU 30 Cb -0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2qss h GLU 30 CO -0.06 0.19 0.17 0.00 -0.73 0.00 0.00 179.01 178.57 2qss h ARG 31 N 0.29 0.79 -0.12 1.92 3.08 -0.81 -0.71 114.38 118.81 2qss h ARG 31 Ca 0.11 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qss h ARG 31 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2qss h ARG 31 CO -0.07 0.68 0.05 1.98 -1.07 0.00 0.00 179.97 181.55 2qss h MET 32 N 0.77 0.18 -0.74 0.04 4.05 -0.11 -0.95 114.93 118.17 2qss h MET 32 Ca 0.18 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 2qss h MET 32 Cb 0.22 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2qss h MET 32 CO -0.01 0.26 0.31 0.74 0.23 0.00 0.00 176.91 178.45 2qss h PHE 33 N 0.06 1.11 0.03 1.39 0.04 -0.48 0.70 116.94 119.79 2qss h PHE 33 Ca 0.04 -0.08 -0.27 0.00 2.80 0.00 0.00 57.97 60.46 2qss h PHE 33 Cb 0.15 -0.34 0.02 0.00 2.20 0.00 0.00 35.95 37.98 2qss h PHE 33 CO -0.02 0.84 -1.09 -0.07 -0.60 0.00 0.00 178.31 177.37 2qss h LEU 34 N 1.06 0.91 -0.16 1.54 3.38 -1.13 -3.23 115.31 117.68 2qss h LEU 34 Ca 0.25 -0.76 -0.21 0.00 0.09 0.00 0.00 57.88 57.25 2qss h LEU 34 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qss h LEU 34 CO -0.02 1.56 -0.96 0.28 0.09 0.00 0.00 178.44 179.39 2qss h SER 35 N 0.37 0.16 -2.57 -0.43 0.02 -1.07 -3.39 113.55 106.64 2qss h SER 35 Ca -0.14 -0.15 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 2qss h SER 35 Cb 1.75 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.84 2qss h SER 35 CO 0.21 1.02 -0.83 0.49 -1.14 0.00 0.00 176.83 176.59 2qss n PHE 36 N -3.54 0.76 -0.02 3.45 3.72 0.23 -4.98 117.46 117.09 2qss n PHE 36 Ca -0.03 -3.71 0.23 0.00 -0.05 0.00 0.00 57.45 53.89 2qss n PHE 36 Cb 0.87 -0.13 0.72 0.00 -0.94 0.00 0.00 39.48 40.01 2qss n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2qss h PRO 37 N 5.34 0.00 -0.76 -1.08 0.11 -1.75 -1.46 132.00 132.39 2qss h PRO 37 Ca 0.21 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.51 2qss h PRO 37 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 2qss h PRO 37 CO 0.52 0.00 0.53 1.79 -0.21 0.00 0.00 178.00 180.63 2qss h THR 38 N 0.00 0.69 0.00 -1.15 1.35 -1.92 -1.39 112.91 110.49 2qss h THR 38 Ca 0.28 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 66.07 2qss h THR 38 Cb 1.23 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2qss h THR 38 CO -0.00 0.04 -0.01 0.71 -0.25 0.00 0.00 175.52 176.01 2qss h THR 39 N 0.21 0.02 0.00 6.82 1.35 -1.59 -2.92 112.91 116.80 2qss h THR 39 Ca 0.38 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 2qss h THR 39 Cb 1.17 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2qss h THR 39 CO -0.08 0.01 -0.07 0.11 -0.25 0.00 0.00 175.52 175.24 2qss h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.42 -2.75 116.57 118.68 2qss h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qss h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2qss h LYS 40 CO 0.00 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 2qss n THR 41 N -3.63 0.50 0.50 -0.16 -2.24 -1.10 -1.59 114.28 106.55 2qss n THR 41 Ca -0.02 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 2qss n THR 41 Cb 0.17 -0.75 0.37 0.00 -2.10 0.00 0.00 70.33 68.02 2qss n THR 41 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2qss h TYR 42 N 0.00 0.00 -1.45 4.78 0.05 -1.72 -3.37 116.97 115.26 2qss h TYR 42 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 2qss h TYR 42 Cb 0.35 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.68 2qss h TYR 42 CO 0.00 0.00 -0.87 1.19 -1.05 0.00 0.00 178.16 177.43 2qss n PHE 43 N -2.48 2.70 0.30 4.88 3.01 -0.62 -4.87 117.46 120.37 2qss n PHE 43 Ca 0.05 -3.13 0.14 0.00 1.01 0.00 0.00 57.45 55.52 2qss n PHE 43 Cb 0.43 -0.21 0.63 0.00 -0.01 0.00 0.00 39.48 40.32 2qss n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qss h PRO 44 N 2.75 0.00 -0.01 -1.08 0.13 -1.74 -1.68 132.00 130.37 2qss h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2qss h PRO 44 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2qss h PRO 44 CO 0.73 0.00 -0.24 -2.39 -0.23 0.00 0.00 178.00 175.88 2qss n HIS 45 N -2.48 0.00 -3.57 1.56 1.44 -1.26 -4.88 115.22 106.03 2qss n HIS 45 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.37 2qss n HIS 45 Cb 0.17 -0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 2qss n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qss s PHE 46 N -2.44 3.58 -0.26 -1.40 0.40 -0.63 -5.05 117.98 112.17 2qss s PHE 46 Ca 0.26 0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 57.09 2qss s PHE 46 Cb 0.19 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2qss s PHE 46 CO 0.50 0.51 1.41 0.34 0.70 0.00 0.00 175.22 178.69 2qss s ASP 47 N -1.77 6.59 -0.05 1.36 -1.08 -1.26 -4.92 116.67 115.55 2qss s ASP 47 Ca 0.33 1.40 0.21 0.00 -0.52 0.00 0.00 52.55 53.97 2qss s ASP 47 Cb -0.14 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.47 2qss s ASP 47 CO 0.18 -1.12 1.58 0.18 0.52 0.00 0.00 175.17 176.52 2qss n LEU 48 N 7.82 4.30 -4.74 -1.34 4.77 -1.26 -4.44 117.00 122.11 2qss n LEU 48 Ca 0.16 -2.16 -0.33 0.00 -0.03 0.00 0.00 56.01 53.65 2qss n LEU 48 Cb 0.46 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2qss n LEU 48 CO 0.63 0.92 0.76 -0.94 -1.33 0.00 0.00 177.39 177.43 2qss s SER 49 N -0.96 4.44 0.12 -1.43 1.04 -1.26 -4.88 113.70 110.77 2qss s SER 49 Ca 0.50 2.17 -0.35 0.00 0.48 0.00 0.00 55.95 58.76 2qss s SER 49 Cb 0.29 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.69 2qss s SER 49 CO 0.30 -2.09 1.48 1.57 0.98 0.00 0.00 173.24 175.49 2qss n HIS 50 N -2.79 1.95 -0.99 5.02 -0.00 -1.26 -1.89 115.22 115.26 2qss n HIS 50 Ca 0.12 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.72 2qss n HIS 50 Cb 0.51 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 2qss n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qss n GLY 51 N 3.06 0.52 3.77 1.57 0.00 -1.26 -5.01 105.19 107.84 2qss n GLY 51 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2qss n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qss s SER 52 N -2.03 6.31 0.33 1.61 1.04 -0.79 -4.88 113.70 115.29 2qss s SER 52 Ca 0.00 2.77 0.04 0.00 0.48 0.00 0.00 55.95 59.24 2qss s SER 52 Cb 0.00 -2.65 0.65 0.00 0.10 0.00 0.00 66.02 64.12 2qss s SER 52 CO 0.00 -0.86 1.90 0.00 0.98 0.00 0.00 173.24 175.26 2qss h ALA 53 N 2.78 1.64 -0.53 5.32 0.00 -1.91 -1.61 119.26 124.95 2qss h ALA 53 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2qss h ALA 53 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qss h ALA 53 CO 0.63 0.19 0.09 1.96 0.00 0.00 0.00 179.25 182.12 2qss h GLN 54 N 0.88 0.87 -0.59 0.00 4.20 -1.91 0.16 115.11 118.72 2qss h GLN 54 Ca 0.40 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2qss h GLN 54 Cb 0.39 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2qss h GLN 54 CO -0.17 0.85 -0.01 0.28 -0.67 0.00 0.00 178.83 179.11 2qss h VAL 55 N 0.75 1.26 -0.13 -0.54 2.07 -1.69 0.15 116.25 118.13 2qss h VAL 55 Ca 0.16 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2qss h VAL 55 Cb 0.40 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2qss h VAL 55 CO 0.01 0.42 0.04 0.50 0.02 0.00 0.00 177.57 178.56 2qss h LYS 56 N 0.95 0.20 -0.59 1.57 3.64 -1.00 0.28 116.57 121.61 2qss h LYS 56 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2qss h LYS 56 Cb 0.56 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2qss h LYS 56 CO 0.03 0.32 0.08 0.78 -2.27 0.00 0.00 179.45 178.39 2qss h GLY 57 N 0.03 1.04 1.64 5.01 0.00 -0.58 -1.99 103.07 108.22 2qss h GLY 57 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.55 2qss h GLY 57 CO -0.00 0.63 -0.57 0.84 0.00 0.00 0.00 176.54 177.43 2qss h HIS 58 N 0.90 0.48 -0.62 5.60 -0.00 -0.36 -2.63 115.15 118.52 2qss h HIS 58 Ca 0.18 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2qss h HIS 58 Cb 0.42 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 2qss h HIS 58 CO 0.03 0.86 0.32 0.78 -0.00 0.00 0.00 177.93 179.92 2qss h GLY 59 N 1.27 0.92 1.20 5.26 0.00 -0.12 -1.01 103.07 110.59 2qss h GLY 59 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 2qss h GLY 59 CO 0.10 0.40 -0.27 0.00 0.00 0.00 0.00 176.54 176.77 2qss h ALA 60 N 1.49 0.73 -0.23 3.60 0.00 -1.14 -0.75 119.26 122.95 2qss h ALA 60 Ca 0.22 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2qss h ALA 60 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qss h ALA 60 CO -0.03 0.66 -0.07 0.87 0.00 0.00 0.00 179.25 180.68 2qss h LYS 61 N 0.77 0.46 -0.37 0.00 1.57 -1.06 -0.29 116.57 117.65 2qss h LYS 61 Ca 0.09 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2qss h LYS 61 Cb 0.83 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2qss h LYS 61 CO 0.07 0.70 0.20 0.28 -0.57 0.00 0.00 179.45 180.13 2qss h VAL 62 N 0.19 1.00 -0.67 0.50 2.07 -1.13 -1.60 116.25 116.61 2qss h VAL 62 Ca 0.06 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2qss h VAL 62 Cb 0.54 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2qss h VAL 62 CO 0.03 0.07 0.40 0.00 0.02 0.00 0.00 177.57 178.09 2qss h ALA 63 N 1.19 0.88 -0.28 1.67 0.00 -1.03 -1.09 119.26 120.59 2qss h ALA 63 Ca 0.16 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2qss h ALA 63 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qss h ALA 63 CO -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.23 2qss h ALA 64 N 1.31 1.41 -0.46 0.00 0.00 -0.57 0.11 119.26 121.06 2qss h ALA 64 Ca 0.28 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2qss h ALA 64 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qss h ALA 64 CO -0.14 0.41 -0.20 0.00 0.00 0.00 0.00 179.25 179.32 2qss h ALA 65 N 1.55 0.64 -0.44 0.00 0.00 -0.57 -0.90 119.26 119.54 2qss h ALA 65 Ca 0.09 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2qss h ALA 65 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qss h ALA 65 CO 0.01 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.88 2qss h LEU 66 N 0.79 0.70 -0.32 0.00 3.38 -0.55 -1.06 115.31 118.26 2qss h LEU 66 Ca 0.10 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2qss h LEU 66 Cb 0.78 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2qss h LEU 66 CO 0.06 0.79 -0.01 0.74 0.09 0.00 0.00 178.44 180.11 2qss h THR 67 N 0.58 0.75 -0.62 0.22 2.02 -0.69 0.90 112.91 116.07 2qss h THR 67 Ca 0.13 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.38 2qss h THR 67 Cb 0.39 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 2qss h THR 67 CO 0.01 0.01 0.25 0.50 0.37 0.00 0.00 175.52 176.67 2qss h LYS 68 N 0.08 0.43 -0.26 6.66 3.64 -0.95 -1.79 116.57 124.38 2qss h LYS 68 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2qss h LYS 68 Cb 0.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2qss h LYS 68 CO -0.27 0.29 0.13 0.00 -2.27 0.00 0.00 179.45 177.33 2qss h ALA 69 N 1.41 0.33 -0.61 5.00 0.00 -0.27 -2.25 119.26 122.88 2qss h ALA 69 Ca 0.31 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2qss h ALA 69 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qss h ALA 69 CO -0.29 -0.12 0.41 0.28 0.00 0.00 0.00 179.25 179.52 2qss h VAL 70 N 0.30 0.96 0.00 0.00 2.07 -0.49 0.93 116.25 120.03 2qss h VAL 70 Ca 0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qss h VAL 70 Cb 0.09 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qss h VAL 70 CO -0.01 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 2qss n GLU 71 N -4.48 0.53 -2.66 1.57 1.02 -0.71 -4.04 120.64 111.89 2qss n GLU 71 Ca 0.09 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 2qss n GLU 71 Cb 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 2qss n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qss n HIS 72 N -1.23 1.58 0.25 -0.32 8.25 0.30 -4.92 115.22 119.14 2qss n HIS 72 Ca 0.16 -2.36 0.13 0.00 -0.26 0.00 0.00 57.72 55.39 2qss n HIS 72 Cb 0.21 -0.27 0.61 0.00 1.12 0.00 0.00 29.99 31.66 2qss n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qss h LEU 73 N 2.64 0.00 -0.60 2.41 3.38 -1.65 -2.21 115.31 119.28 2qss h LEU 73 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qss h LEU 73 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qss h LEU 73 CO 0.38 0.13 0.00 0.44 0.09 0.00 0.00 178.44 179.48 2qss h ASP 74 N 0.00 0.00 -1.65 -0.43 3.32 -1.91 -3.39 116.42 112.36 2qss h ASP 74 Ca -0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2qss h ASP 74 Cb 0.56 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.79 2qss h ASP 74 CO 0.02 0.00 -0.89 -0.67 -1.72 0.00 0.00 179.24 175.98 2qss n ASP 75 N -3.01 -1.01 -0.14 6.45 2.03 -0.84 -5.00 116.55 115.04 2qss n ASP 75 Ca 0.03 -2.73 -0.09 0.00 0.52 0.00 0.00 54.79 52.52 2qss n ASP 75 Cb 0.42 0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2qss n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qss h LEU 76 N 4.62 0.53 -0.68 -2.67 3.38 -1.75 -2.42 115.31 116.33 2qss h LEU 76 Ca 0.09 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2qss h LEU 76 Cb 0.94 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2qss h LEU 76 CO 0.35 0.52 0.32 -0.65 0.09 0.00 0.00 178.44 179.08 2qss h PRO 77 N 0.51 0.53 0.07 1.13 0.11 -1.94 -1.00 132.00 131.41 2qss h PRO 77 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2qss h PRO 77 Cb 0.13 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2qss h PRO 77 CO -0.02 0.35 -0.03 0.78 -0.21 0.00 0.00 178.00 178.87 2qss h GLY 78 N 0.55 -0.09 0.51 -0.55 0.00 -1.96 -3.08 103.07 98.44 2qss h GLY 78 Ca 0.34 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.80 2qss h GLY 78 CO -0.28 -0.03 0.50 0.00 0.00 0.00 0.00 176.54 176.72 2qss h ALA 79 N 0.66 1.23 -0.77 3.60 0.00 -1.00 -2.97 119.26 120.01 2qss h ALA 79 Ca -0.01 0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.50 2qss h ALA 79 Cb 0.23 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 17.63 2qss h ALA 79 CO 0.02 0.12 0.36 1.28 0.00 0.00 0.00 179.25 181.02 2qss n LEU 80 N -4.73 5.90 0.39 0.00 4.77 -0.42 -4.73 117.00 118.19 2qss n LEU 80 Ca 0.14 -3.83 -0.18 0.00 -0.03 0.00 0.00 56.01 52.11 2qss n LEU 80 Cb 0.29 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 2qss n LEU 80 CO 0.27 1.24 0.62 0.77 -1.33 0.00 0.00 177.39 178.96 2qss h SER 81 N 1.20 -0.82 -0.79 -1.43 4.64 -1.43 -1.59 113.55 113.33 2qss h SER 81 Ca 0.48 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.84 2qss h SER 81 Cb 2.11 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 64.37 2qss h SER 81 CO 0.91 -0.57 0.52 -0.33 -0.87 0.00 0.00 176.83 176.49 2qss h GLU 82 N -0.99 1.02 -0.25 4.77 4.39 -1.87 -2.76 114.58 118.90 2qss h GLU 82 Ca -0.10 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2qss h GLU 82 Cb 0.75 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2qss h GLU 82 CO 0.16 0.67 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.39 2qss h LEU 83 N 1.05 0.45 -0.11 1.33 3.38 -1.89 -2.09 115.31 117.43 2qss h LEU 83 Ca 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qss h LEU 83 Cb -0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qss h LEU 83 CO -0.08 0.68 0.01 -1.28 0.09 0.00 0.00 178.44 177.86 2qss h SER 84 N 0.41 0.18 -0.96 -0.43 0.87 -1.01 -1.36 113.55 111.24 2qss h SER 84 Ca 0.06 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2qss h SER 84 Cb 0.62 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 2qss h SER 84 CO 0.04 0.41 0.63 -0.78 -0.53 0.00 0.00 176.83 176.60 2qss h ASP 85 N -0.07 1.03 -0.00 6.23 3.58 -1.39 -0.85 116.42 124.94 2qss h ASP 85 Ca 0.03 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2qss h ASP 85 Cb 0.32 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2qss h ASP 85 CO 0.00 0.69 0.00 0.25 -2.88 0.00 0.00 179.24 177.30 2qss h LEU 86 N 1.19 0.00 -0.22 2.28 5.85 -1.24 0.17 115.31 123.33 2qss h LEU 86 Ca 0.39 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.80 2qss h LEU 86 Cb 0.05 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qss h LEU 86 CO -0.14 0.13 -0.62 0.45 -0.34 0.00 0.00 178.44 177.92 2qss h HIS 87 N -0.12 1.05 0.13 1.25 3.86 -1.05 0.53 115.15 120.80 2qss h HIS 87 Ca 0.00 -0.41 -0.25 0.00 -1.16 0.00 0.00 60.37 58.55 2qss h HIS 87 Cb 0.13 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.42 2qss h HIS 87 CO -0.03 1.24 -1.22 0.00 0.86 0.00 0.00 177.93 178.77 2qss h ALA 88 N 0.61 0.07 0.00 2.45 0.00 -1.20 -0.73 119.26 120.46 2qss h ALA 88 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 54.91 53.78 2qss h ALA 88 Cb 1.24 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2qss h ALA 88 CO 0.13 0.67 -1.03 1.25 0.00 0.00 0.00 179.25 180.28 2qss h HIS 89 N -0.31 0.00 0.12 0.00 -0.00 -0.81 -3.30 115.15 110.85 2qss h HIS 89 Ca -0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 2qss h HIS 89 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.15 2qss h HIS 89 CO 0.15 1.13 -0.06 -0.22 -0.00 0.00 0.00 177.93 178.93 2qss h LYS 90 N -1.00 -0.15 0.00 5.26 3.64 -1.30 -3.37 116.57 119.65 2qss h LYS 90 Ca -0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2qss h LYS 90 Cb 1.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2qss h LYS 90 CO -0.15 0.25 -0.44 -0.07 -2.27 0.00 0.00 179.45 176.77 2qss h LEU 91 N -0.95 0.00 -1.76 5.20 3.38 -0.97 -3.48 115.31 116.72 2qss h LEU 91 Ca -0.02 -0.05 -0.45 0.00 0.09 0.00 0.00 57.88 57.45 2qss h LEU 91 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qss h LEU 91 CO 0.03 0.02 -0.84 0.54 0.09 0.00 0.00 178.44 178.28 2qss n ARG 92 N -2.62 -4.39 -2.23 1.13 5.12 -0.40 -4.86 116.66 108.40 2qss n ARG 92 Ca 0.03 0.54 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 2qss n ARG 92 Cb 0.50 -4.98 -0.02 0.00 -1.16 0.00 0.00 32.46 26.79 2qss n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qss s VAL 93 N -3.74 3.94 0.01 1.55 1.01 -0.48 -4.97 120.40 117.73 2qss s VAL 93 Ca 0.06 1.16 -0.35 0.00 0.00 0.00 0.00 61.98 62.85 2qss s VAL 93 Cb -0.03 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 2qss s VAL 93 CO 0.84 -0.09 1.70 -0.67 0.00 0.00 0.00 175.10 176.88 2qss n ASP 94 N 6.70 3.04 0.03 3.32 -0.08 -1.26 -4.87 116.55 123.42 2qss n ASP 94 Ca 0.15 1.04 0.21 0.00 -1.51 0.00 0.00 54.79 54.68 2qss n ASP 94 Cb 0.44 -1.35 0.73 0.00 2.34 0.00 0.00 41.12 43.28 2qss n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2qss h PRO 95 N 7.31 0.00 -0.25 -0.67 0.11 -2.00 -0.17 132.00 136.34 2qss h PRO 95 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qss h PRO 95 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2qss h PRO 95 CO 0.91 0.00 0.13 0.28 -0.21 0.00 0.00 178.00 179.11 2qss h VAL 96 N 0.00 1.08 0.00 3.15 2.07 -2.02 -2.57 116.25 117.96 2qss h VAL 96 Ca 0.24 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2qss h VAL 96 Cb 1.13 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2qss h VAL 96 CO -0.00 0.09 -0.19 0.78 0.02 0.00 0.00 177.57 178.27 2qss h ASN 97 N 0.34 0.00 -0.17 0.57 2.35 -1.39 -1.49 115.58 115.79 2qss h ASN 97 Ca 0.09 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 2qss h ASN 97 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2qss h ASN 97 CO -0.02 0.19 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.54 2qss h PHE 98 N 0.00 0.61 -0.21 1.19 0.04 -1.59 -1.12 116.94 115.86 2qss h PHE 98 Ca -0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 2qss h PHE 98 Cb 0.43 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2qss h PHE 98 CO 0.00 0.68 -0.23 0.87 -0.60 0.00 0.00 178.31 179.04 2qss h LYS 99 N 0.51 0.39 -0.10 1.51 1.57 -1.36 -0.31 116.57 118.78 2qss h LYS 99 Ca 0.09 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2qss h LYS 99 Cb 0.56 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2qss h LYS 99 CO 0.04 0.60 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.33 2qss h LEU 100 N 0.35 0.28 -1.00 2.94 3.38 -1.22 -0.92 115.31 119.12 2qss h LEU 100 Ca 0.06 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 2qss h LEU 100 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2qss h LEU 100 CO 0.04 0.72 -0.12 0.25 0.09 0.00 0.00 178.44 179.42 2qss h LEU 101 N -0.16 0.57 -0.24 1.67 5.85 -1.13 -1.66 115.31 120.22 2qss h LEU 101 Ca 0.01 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2qss h LEU 101 Cb 0.65 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2qss h LEU 101 CO 0.03 0.72 -0.02 0.28 -0.34 0.00 0.00 178.44 179.11 2qss h SER 102 N 0.54 0.43 -0.74 1.25 0.02 -0.91 0.17 113.55 114.31 2qss h SER 102 Ca 0.10 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2qss h SER 102 Cb 0.53 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 2qss h SER 102 CO 0.03 0.66 0.47 -0.74 -1.14 0.00 0.00 176.83 176.11 2qss h HIS 103 N 0.19 0.87 -0.67 3.45 -0.00 -1.10 -0.34 115.15 117.55 2qss h HIS 103 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2qss h HIS 103 Cb 0.45 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 2qss h HIS 103 CO 0.04 0.50 0.31 0.77 -0.00 0.00 0.00 177.93 179.55 2qss h SER 104 N 0.91 0.87 -0.47 3.26 0.02 -0.48 0.01 113.55 117.67 2qss h SER 104 Ca 0.30 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2qss h SER 104 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2qss h SER 104 CO -0.11 0.75 0.07 -0.07 -1.14 0.00 0.00 176.83 176.32 2qss h LEU 105 N 0.95 0.75 -0.43 5.07 3.38 -0.04 -1.67 115.31 123.33 2qss h LEU 105 Ca 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qss h LEU 105 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qss h LEU 105 CO -0.03 0.83 0.18 -0.07 0.09 0.00 0.00 178.44 179.45 2qss h LEU 106 N 0.65 0.58 -0.50 1.67 3.38 -0.51 -0.33 115.31 120.24 2qss h LEU 106 Ca 0.14 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2qss h LEU 106 Cb 0.40 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2qss h LEU 106 CO 0.01 0.57 0.15 0.58 0.09 0.00 0.00 178.44 179.85 2qss h VAL 107 N 0.54 0.79 -0.24 1.22 2.07 -0.94 0.14 116.25 119.83 2qss h VAL 107 Ca 0.14 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2qss h VAL 107 Cb 0.16 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2qss h VAL 107 CO -0.01 0.06 0.14 0.74 0.02 0.00 0.00 177.57 178.51 2qss h THR 108 N 0.31 1.11 -0.18 2.57 2.02 -0.93 -1.21 112.91 116.60 2qss h THR 108 Ca 0.25 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2qss h THR 108 Cb 0.29 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2qss h THR 108 CO -0.28 0.11 -0.04 -0.07 0.37 0.00 0.00 175.52 175.61 2qss h LEU 109 N 0.29 0.35 -0.90 2.58 3.38 -0.85 -2.20 115.31 117.95 2qss h LEU 109 Ca 0.09 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.85 2qss h LEU 109 Cb 0.05 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 2qss h LEU 109 CO -0.01 0.62 0.49 0.00 0.09 0.00 0.00 178.44 179.63 2qss h ALA 110 N 0.73 1.40 -0.35 1.53 0.00 -0.65 0.16 119.26 122.07 2qss h ALA 110 Ca 0.05 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qss h ALA 110 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qss h ALA 110 CO 0.02 -0.07 -0.01 1.03 0.00 0.00 0.00 179.25 180.23 2qss h SER 111 N 0.68 0.62 0.96 0.00 0.87 -0.78 -3.12 113.55 112.77 2qss h SER 111 Ca 0.50 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2qss h SER 111 Cb 0.72 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2qss h SER 111 CO -0.37 0.78 -1.07 0.45 -0.53 0.00 0.00 176.83 176.09 2qss h HIS 112 N 0.44 0.00 -1.70 2.24 3.86 -1.06 -3.39 115.15 115.54 2qss h HIS 112 Ca 0.10 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.76 2qss h HIS 112 Cb 0.47 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.52 2qss h HIS 112 CO 0.04 0.20 -0.80 1.28 0.86 0.00 0.00 177.93 179.50 2qss n LEU 113 N -2.78 3.91 0.28 2.43 4.77 0.53 -4.91 117.00 121.22 2qss n LEU 113 Ca -0.03 -5.13 0.17 0.00 -0.03 0.00 0.00 56.01 50.99 2qss n LEU 113 Cb 0.65 -0.28 0.73 0.00 -2.33 0.00 0.00 43.42 42.19 2qss n LEU 113 CO 0.41 2.18 1.00 1.55 -1.33 0.00 0.00 177.39 181.20 2qss h PRO 114 N 2.78 0.00 0.00 3.23 0.13 -1.75 -1.17 132.00 135.22 2qss h PRO 114 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2qss h PRO 114 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2qss h PRO 114 CO 0.77 0.04 -0.65 0.77 -0.23 0.00 0.00 178.00 178.70 2qss h SER 115 N 0.00 0.00 0.39 1.44 0.02 -1.91 -3.34 113.55 110.15 2qss h SER 115 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qss h SER 115 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2qss h SER 115 CO 0.00 0.09 -1.21 0.47 -1.14 0.00 0.00 176.83 175.05 2qss n ASP 116 N -2.89 0.55 -3.79 3.07 8.00 -0.60 -4.64 116.55 116.26 2qss n ASP 116 Ca 0.01 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 2qss n ASP 116 Cb 0.58 0.99 0.01 0.00 -0.02 0.00 0.00 41.12 42.69 2qss n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qss n PHE 117 N -2.07 2.61 -1.49 1.24 7.35 -0.54 -4.83 117.46 119.72 2qss n PHE 117 Ca 0.01 -2.69 -0.29 0.00 -0.76 0.00 0.00 57.45 53.72 2qss n PHE 117 Cb 0.47 -1.59 0.12 0.00 0.35 0.00 0.00 39.48 38.83 2qss n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qss s THR 118 N -1.69 2.47 0.26 -2.13 -4.23 -1.26 -4.74 115.64 104.32 2qss s THR 118 Ca 0.40 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 2qss s THR 118 Cb 0.12 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.34 2qss s THR 118 CO -0.01 -0.20 1.83 -0.65 -0.54 0.00 0.00 174.62 175.06 2qss h PRO 119 N -1.37 0.90 -0.65 3.99 0.11 -1.99 0.13 132.00 133.12 2qss h PRO 119 Ca -0.49 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 2qss h PRO 119 Cb 1.30 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2qss h PRO 119 CO 0.60 0.60 0.13 0.00 -0.21 0.00 0.00 178.00 179.12 2qss h ALA 120 N 1.48 0.86 -0.30 -0.75 0.00 -1.98 -0.43 119.26 118.15 2qss h ALA 120 Ca 0.44 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2qss h ALA 120 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qss h ALA 120 CO -0.24 0.61 -0.25 0.28 0.00 0.00 0.00 179.25 179.65 2qss h VAL 121 N 0.99 1.30 -0.35 0.00 2.07 -1.79 -0.49 116.25 117.97 2qss h VAL 121 Ca 0.20 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.39 2qss h VAL 121 Cb 0.40 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 2qss h VAL 121 CO 0.01 0.45 -0.00 -0.74 0.02 0.00 0.00 177.57 177.30 2qss h HIS 122 N 0.45 -0.02 -0.52 1.57 6.17 -0.63 0.39 115.15 122.55 2qss h HIS 122 Ca 0.05 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.12 2qss h HIS 122 Cb 0.81 0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.78 2qss h HIS 122 CO 0.07 -0.07 0.18 0.00 0.71 0.00 0.00 177.93 178.82 2qss h ALA 123 N 1.31 0.68 -0.48 5.26 0.00 -0.71 -0.46 119.26 124.85 2qss h ALA 123 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qss h ALA 123 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qss h ALA 123 CO -0.29 0.31 0.23 0.77 0.00 0.00 0.00 179.25 180.28 2qss h SER 124 N 0.70 0.63 -0.66 0.00 0.02 -0.58 -1.81 113.55 111.85 2qss h SER 124 Ca 0.17 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2qss h SER 124 Cb 0.24 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2qss h SER 124 CO -0.01 0.58 0.22 -0.07 -1.14 0.00 0.00 176.83 176.41 2qss h LEU 125 N 0.63 0.97 -0.44 5.07 3.38 -0.72 0.64 115.31 124.85 2qss h LEU 125 Ca 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qss h LEU 125 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2qss h LEU 125 CO -0.02 0.90 0.20 -0.78 0.09 0.00 0.00 178.44 178.84 2qss h ASP 126 N 1.01 0.58 -0.70 -0.43 3.58 -0.98 0.41 116.42 119.88 2qss h ASP 126 Ca 0.22 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 2qss h ASP 126 Cb 0.28 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2qss h ASP 126 CO -0.01 0.55 0.19 0.11 -2.88 0.00 0.00 179.24 177.20 2qss h LYS 127 N 0.57 1.11 0.09 0.28 1.57 -0.64 -0.51 116.57 119.03 2qss h LYS 127 Ca 0.15 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2qss h LYS 127 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2qss h LYS 127 CO -0.02 0.97 -0.08 0.35 -0.57 0.00 0.00 179.45 180.10 2qss h PHE 128 N 1.05 -0.20 -0.52 -1.35 3.57 -0.46 0.30 116.94 119.33 2qss h PHE 128 Ca 0.22 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2qss h PHE 128 Cb 0.34 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2qss h PHE 128 CO 0.03 -0.12 0.04 -0.07 -2.23 0.00 0.00 178.31 175.95 2qss h LEU 129 N -0.18 0.82 -0.93 0.59 3.38 -0.75 0.31 115.31 118.55 2qss h LEU 129 Ca 0.00 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2qss h LEU 129 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qss h LEU 129 CO -0.02 0.86 0.22 0.00 0.09 0.00 0.00 178.44 179.59 2qss h ALA 130 N 1.24 1.14 -0.12 1.53 0.00 -0.83 -0.04 119.26 122.17 2qss h ALA 130 Ca 0.16 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2qss h ALA 130 Cb 0.43 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qss h ALA 130 CO 0.02 0.60 -0.68 -0.91 0.00 0.00 0.00 179.25 178.28 2qss h ASN 131 N 0.97 0.81 -0.60 0.00 4.21 -0.10 0.33 115.58 121.20 2qss h ASN 131 Ca 0.22 -0.64 0.08 0.00 1.21 0.00 0.00 56.30 57.16 2qss h ASN 131 Cb 0.26 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 37.15 2qss h ASN 131 CO -0.01 1.32 0.26 0.58 -1.29 0.00 0.00 177.43 178.29 2qss h VAL 132 N 0.35 0.85 -0.64 2.81 2.07 -0.90 -0.40 116.25 120.40 2qss h VAL 132 Ca -0.05 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2qss h VAL 132 Cb 1.32 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2qss h VAL 132 CO 0.14 0.09 0.30 0.28 0.02 0.00 0.00 177.57 178.39 2qss h SER 133 N 0.48 0.84 -0.30 0.57 0.02 -0.64 -0.06 113.55 114.48 2qss h SER 133 Ca 0.29 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2qss h SER 133 Cb 0.29 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2qss h SER 133 CO -0.25 0.75 0.16 0.74 -1.14 0.00 0.00 176.83 177.09 2qss h THR 134 N 0.88 1.02 -0.29 -2.27 2.02 0.22 -1.63 112.91 112.87 2qss h THR 134 Ca 0.22 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 2qss h THR 134 Cb 0.14 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2qss h THR 134 CO -0.03 0.06 0.16 0.58 0.37 0.00 0.00 175.52 176.67 2qss h VAL 135 N 0.34 1.12 0.00 3.16 2.07 -0.76 -2.36 116.25 119.82 2qss h VAL 135 Ca 0.12 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qss h VAL 135 Cb 0.01 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2qss h VAL 135 CO -0.06 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.83 2qss n LEU 136 N -4.83 0.00 -0.45 2.57 4.77 -0.06 -1.99 117.00 117.00 2qss n LEU 136 Ca -0.02 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 2qss n LEU 136 Cb 0.07 -0.48 0.19 0.00 -2.33 0.00 0.00 43.42 40.87 2qss n LEU 136 CO 0.35 -0.25 0.62 0.35 -1.33 0.00 0.00 177.39 177.13 2qss n THR 137 N -1.48 2.08 0.02 -5.08 -2.24 -0.63 -4.16 114.28 102.79 2qss n THR 137 Ca 0.04 -2.17 0.10 0.00 -2.27 0.00 0.00 64.05 59.76 2qss n THR 137 Cb 0.16 -0.25 0.23 0.00 -2.10 0.00 0.00 70.33 68.37 2qss n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qss n SER 138 N -1.05 3.45 -3.75 3.42 3.41 -0.84 -4.94 113.62 113.33 2qss n SER 138 Ca 0.19 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.61 2qss n SER 138 Cb 0.76 -0.31 -0.18 0.00 -0.26 0.00 0.00 64.21 64.22 2qss n SER 138 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qss s LYS 139 N -1.21 0.44 0.00 4.33 -0.14 -1.26 -5.09 119.74 116.80 2qss s LYS 139 Ca 0.38 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 2qss s LYS 139 Cb 0.21 -0.86 0.00 0.00 -1.68 0.00 0.00 37.83 35.50 2qss s LYS 139 CO 0.29 -0.31 0.00 0.66 -0.76 0.00 0.00 175.35 175.23 2qss n TYR 140 N 5.18 0.00 -0.69 3.18 4.01 -1.26 -4.40 117.16 123.18 2qss n TYR 140 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2qss n TYR 140 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2qss n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94