#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 3.73 0.72 -0.89 1.02 -1.26 -5.08 118.68 116.92 2qss s LEU 2 Ca 0.00 0.19 -0.13 0.00 0.02 0.00 0.00 54.13 54.21 2qss s LEU 2 Cb 0.00 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 43.16 2qss s LEU 2 CO 0.00 -0.63 1.12 0.42 0.02 0.00 0.00 176.35 177.28 2qss s THR 3 N -2.46 3.09 0.27 5.49 -4.23 -1.26 -4.77 115.64 111.76 2qss s THR 3 Ca 0.47 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 2qss s THR 3 Cb -0.10 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2qss s THR 3 CO 0.36 -0.37 1.66 0.00 -0.54 0.00 0.00 174.62 175.74 2qss h ALA 4 N -0.49 1.09 -0.14 3.99 0.00 -1.99 0.60 119.26 122.32 2qss h ALA 4 Ca -0.46 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2qss h ALA 4 Cb 1.25 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2qss h ALA 4 CO 0.52 -0.41 -0.48 0.93 0.00 0.00 0.00 179.25 179.81 2qss h GLU 5 N 0.22 0.38 -0.45 0.00 4.39 -2.00 -2.08 114.58 115.05 2qss h GLU 5 Ca 0.48 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.91 2qss h GLU 5 Cb 0.91 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2qss h GLU 5 CO -0.60 0.78 0.03 0.93 -1.16 0.00 0.00 179.01 178.99 2qss h GLU 6 N 0.30 0.77 -0.49 2.33 5.08 -1.58 -2.31 114.58 118.69 2qss h GLU 6 Ca 0.02 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2qss h GLU 6 Cb 0.96 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 2qss h GLU 6 CO 0.08 0.82 0.04 0.87 -1.00 0.00 0.00 179.01 179.82 2qss h LYS 7 N 0.62 0.16 -0.87 2.33 1.57 -0.80 -1.03 116.57 118.54 2qss h LYS 7 Ca 0.13 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2qss h LYS 7 Cb 0.45 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2qss h LYS 7 CO 0.02 0.11 0.55 0.00 -0.57 0.00 0.00 179.45 179.55 2qss h ALA 8 N 1.41 1.19 -0.41 3.86 0.00 -1.11 0.16 119.26 124.36 2qss h ALA 8 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2qss h ALA 8 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qss h ALA 8 CO -0.37 0.32 0.03 0.00 0.00 0.00 0.00 179.25 179.23 2qss h ALA 9 N 1.40 0.55 -0.33 0.00 0.00 -0.82 -2.17 119.26 117.89 2qss h ALA 9 Ca 0.37 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2qss h ALA 9 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2qss h ALA 9 CO -0.16 0.30 -0.30 0.28 0.00 0.00 0.00 179.25 179.37 2qss h VAL 10 N 0.55 1.29 0.19 0.00 2.07 -0.77 -2.50 116.25 117.08 2qss h VAL 10 Ca 0.12 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2qss h VAL 10 Cb 0.43 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2qss h VAL 10 CO 0.02 0.48 -0.11 0.74 0.02 0.00 0.00 177.57 178.71 2qss h THR 11 N 0.56 0.76 -0.74 2.57 2.02 -0.63 0.70 112.91 118.15 2qss h THR 11 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2qss h THR 11 Cb 0.88 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 2qss h THR 11 CO 0.08 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.38 2qss h ALA 12 N 0.51 1.02 -0.20 6.16 0.00 -1.41 -2.63 119.26 122.71 2qss h ALA 12 Ca -0.02 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2qss h ALA 12 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qss h ALA 12 CO 0.02 0.06 -0.67 0.35 0.00 0.00 0.00 179.25 179.02 2qss h PHE 13 N 0.72 1.05 0.00 0.00 3.04 -1.14 -3.18 116.94 117.44 2qss h PHE 13 Ca 0.35 -0.43 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 2qss h PHE 13 Cb 0.28 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 2qss h PHE 13 CO -0.08 1.26 -0.06 2.35 -2.02 0.00 0.00 178.31 179.76 2qss h TRP 14 N 0.54 0.00 -0.81 0.41 2.91 -0.52 -1.76 115.95 116.73 2qss h TRP 14 Ca -0.03 0.00 0.23 0.00 1.13 0.00 0.00 58.89 60.23 2qss h TRP 14 Cb 1.29 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.91 2qss h TRP 14 CO 0.09 0.06 0.60 0.78 -1.03 0.00 0.00 178.44 178.93 2qss h GLY 15 N 0.26 0.00 1.22 2.65 0.00 -1.46 -2.06 103.07 103.69 2qss h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qss h GLY 15 CO 0.01 0.00 -0.64 0.50 0.00 0.00 0.00 176.54 176.41 2qss h LYS 16 N 0.00 0.00 -6.43 4.80 1.57 -1.51 -3.46 116.57 111.55 2qss h LYS 16 Ca 0.38 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.63 2qss h LYS 16 Cb 1.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.90 2qss h LYS 16 CO -0.00 0.00 0.89 0.08 -0.57 0.00 0.00 179.45 179.85 2qss s VAL 17 N -3.21 3.36 -0.39 0.50 1.01 -0.77 -4.94 120.40 115.95 2qss s VAL 17 Ca 0.05 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2qss s VAL 17 Cb 0.12 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2qss s VAL 17 CO 0.73 0.01 1.56 -0.54 0.00 0.00 0.00 175.10 176.85 2qss s LYS 18 N 2.35 3.46 0.63 2.72 -0.14 -1.26 -4.88 119.74 122.63 2qss s LYS 18 Ca 0.68 1.09 0.23 0.00 -1.36 0.00 0.00 55.97 56.61 2qss s LYS 18 Cb -0.36 -4.10 1.18 0.00 -1.68 0.00 0.00 37.83 32.87 2qss s LYS 18 CO 0.29 -1.71 1.65 -0.39 -0.76 0.00 0.00 175.35 174.43 2qss h VAL 19 N 6.60 0.11 0.00 3.17 -1.51 -1.96 -3.11 116.25 119.55 2qss h VAL 19 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2qss h VAL 19 Cb 1.13 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2qss h VAL 19 CO 1.07 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.88 2qss n ASP 20 N -3.10 0.00 -0.15 4.19 9.92 -1.26 -4.69 116.55 121.46 2qss n ASP 20 Ca 0.05 0.12 -0.04 0.00 -0.53 0.00 0.00 54.79 54.39 2qss n ASP 20 Cb 0.75 -0.26 0.05 0.00 -0.64 0.00 0.00 41.12 41.02 2qss n ASP 20 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2qss h GLU 21 N 0.00 0.33 -0.81 -1.24 4.22 -1.94 -2.92 114.58 112.22 2qss h GLU 21 Ca 0.00 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.46 2qss h GLU 21 Cb 0.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2qss h GLU 21 CO 0.00 0.22 0.50 0.28 -2.18 0.00 0.00 179.01 177.84 2qss h VAL 22 N 0.34 1.08 -0.37 0.32 2.07 -1.85 -0.44 116.25 117.40 2qss h VAL 22 Ca 0.23 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2qss h VAL 22 Cb 0.23 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2qss h VAL 22 CO -0.23 0.17 0.22 1.23 0.02 0.00 0.00 177.57 178.98 2qss h GLY 23 N 0.96 0.54 1.33 2.17 0.00 -1.70 -0.82 103.07 105.54 2qss h GLY 23 Ca 0.34 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2qss h GLY 23 CO -0.14 0.22 0.02 -1.33 0.00 0.00 0.00 176.54 175.31 2qss h GLY 24 N 0.48 0.89 0.91 4.60 0.00 -1.45 -0.27 103.07 108.23 2qss h GLY 24 Ca 0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2qss h GLY 24 CO -0.02 0.54 -0.03 -2.09 0.00 0.00 0.00 176.54 174.94 2qss h GLU 25 N 0.77 0.60 -0.03 4.80 4.81 -0.86 -1.09 114.58 123.59 2qss h GLU 25 Ca 0.15 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2qss h GLU 25 Cb 0.43 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2qss h GLU 25 CO 0.02 0.75 0.01 0.00 -0.73 0.00 0.00 179.01 179.05 2qss h ALA 26 N 0.84 0.04 -0.56 2.92 0.00 -0.79 0.12 119.26 121.82 2qss h ALA 26 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qss h ALA 26 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2qss h ALA 26 CO 0.02 -0.39 0.24 1.25 0.00 0.00 0.00 179.25 180.37 2qss h LEU 27 N -0.11 0.77 -0.59 0.00 5.85 -1.10 -0.34 115.31 119.79 2qss h LEU 27 Ca 0.01 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2qss h LEU 27 Cb 0.15 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2qss h LEU 27 CO -0.00 0.72 0.30 1.23 -0.34 0.00 0.00 178.44 180.34 2qss h GLY 28 N 0.77 0.90 1.36 3.75 0.00 -1.11 -1.86 103.07 106.88 2qss h GLY 28 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2qss h GLY 28 CO -0.02 0.41 0.05 3.21 0.00 0.00 0.00 176.54 180.19 2qss h ARG 29 N 0.80 0.79 -0.48 4.80 3.08 -0.51 -1.61 114.38 121.25 2qss h ARG 29 Ca 0.20 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2qss h ARG 29 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2qss h ARG 29 CO -0.03 0.76 0.23 1.25 -1.07 0.00 0.00 179.97 181.11 2qss h LEU 30 N 0.75 0.32 -1.05 3.04 5.85 -0.58 0.77 115.31 124.40 2qss h LEU 30 Ca 0.15 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 2qss h LEU 30 Cb 0.39 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2qss h LEU 30 CO 0.01 0.22 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.95 2qss h LEU 31 N 0.45 0.28 0.06 2.25 3.38 -0.97 -1.13 115.31 119.63 2qss h LEU 31 Ca 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2qss h LEU 31 Cb 0.14 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qss h LEU 31 CO -0.16 0.59 -0.48 0.58 0.09 0.00 0.00 178.44 179.06 2qss h VAL 32 N 0.24 1.58 -0.02 1.22 2.07 -0.98 -3.30 116.25 117.07 2qss h VAL 32 Ca 0.03 -2.33 -0.19 0.00 0.82 0.00 0.00 66.70 65.03 2qss h VAL 32 Cb 0.68 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2qss h VAL 32 CO 0.05 0.64 -0.83 0.58 0.02 0.00 0.00 177.57 178.04 2qss h VAL 33 N -0.53 1.45 -2.46 2.57 2.07 -0.88 -3.37 116.25 115.11 2qss h VAL 33 Ca -0.08 -2.45 -0.60 0.00 0.82 0.00 0.00 66.70 64.40 2qss h VAL 33 Cb 1.33 2.35 -0.41 0.00 -1.52 0.00 0.00 31.29 33.04 2qss h VAL 33 CO 0.09 0.72 -0.73 -1.22 0.02 0.00 0.00 177.57 176.45 2qss n TYR 34 N -3.72 2.16 0.31 1.57 4.01 -0.43 -5.01 117.16 116.05 2qss n TYR 34 Ca -0.04 -3.98 0.19 0.00 -0.16 0.00 0.00 57.90 53.91 2qss n TYR 34 Cb 0.77 -0.42 1.02 0.00 -0.31 0.00 0.00 39.34 40.40 2qss n TYR 34 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2qss h PRO 35 N 4.72 0.00 0.00 -0.72 0.11 -1.73 -1.75 132.00 132.64 2qss h PRO 35 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qss h PRO 35 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2qss h PRO 35 CO 0.67 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.55 2qss h TRP 36 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.96 115.95 112.81 2qss h TRP 36 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 2qss h TRP 36 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 2qss h TRP 36 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 2qss h THR 37 N 0.00 0.00 0.00 0.12 1.35 -1.63 -2.03 112.91 110.72 2qss h THR 37 Ca -0.00 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2qss h THR 37 Cb 0.17 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2qss h THR 37 CO 0.00 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.83 2qss h GLN 38 N 0.00 0.00 -0.08 4.72 4.20 -1.56 -2.48 115.11 119.91 2qss h GLN 38 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2qss h GLN 38 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2qss h GLN 38 CO 0.00 0.01 0.07 -0.09 -0.67 0.00 0.00 178.83 178.15 2qss h ARG 39 N 0.00 0.00 -0.00 1.46 2.43 -1.56 -1.60 114.38 115.11 2qss h ARG 39 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qss h ARG 39 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2qss h ARG 39 CO 0.00 0.00 -0.20 1.19 -1.51 0.00 0.00 179.97 179.45 2qss n PHE 40 N -4.20 0.00 -2.28 2.20 3.01 -0.93 -4.17 117.46 111.09 2qss n PHE 40 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.31 2qss n PHE 40 Cb 0.18 -0.33 0.04 0.00 -0.01 0.00 0.00 39.48 39.35 2qss n PHE 40 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2qss n PHE 41 N -1.36 2.03 0.26 1.38 3.72 -0.60 -4.85 117.46 118.04 2qss n PHE 41 Ca 0.08 -2.10 0.11 0.00 -0.05 0.00 0.00 57.45 55.49 2qss n PHE 41 Cb 0.32 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.30 2qss n PHE 41 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2qss h GLU 42 N 2.22 0.00 -0.00 -1.08 5.08 -1.72 -1.22 114.58 117.85 2qss h GLU 42 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2qss h GLU 42 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2qss h GLU 42 CO 0.51 0.00 -0.02 -1.13 -1.00 0.00 0.00 179.01 177.37 2qss n SER 43 N -4.30 0.23 -0.09 1.42 3.41 -1.26 -4.11 113.62 108.91 2qss n SER 43 Ca -0.02 -0.81 0.11 0.00 -0.26 0.00 0.00 58.87 57.89 2qss n SER 43 Cb 0.12 -0.07 0.64 0.00 -0.26 0.00 0.00 64.21 64.64 2qss n SER 43 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qss n PHE 44 N -0.93 0.02 -3.87 7.33 3.01 -0.46 -5.02 117.46 117.55 2qss n PHE 44 Ca 0.20 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.65 2qss n PHE 44 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 2qss n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qss n GLY 45 N 0.91 0.11 3.62 1.37 0.00 -1.26 -4.76 105.19 105.18 2qss n GLY 45 Ca 0.17 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2qss n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qss s ASP 46 N -4.00 6.41 -0.13 1.61 2.15 -1.26 -4.84 116.67 116.61 2qss s ASP 46 Ca 0.00 1.16 0.16 0.00 0.43 0.00 0.00 52.55 54.30 2qss s ASP 46 Cb 0.00 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.38 2qss s ASP 46 CO 0.00 -1.31 1.15 0.18 -0.17 0.00 0.00 175.17 175.02 2qss n LEU 47 N 8.49 2.21 0.21 -1.34 4.77 -1.26 -4.07 117.00 126.02 2qss n LEU 47 Ca 0.17 -3.06 0.12 0.00 -0.03 0.00 0.00 56.01 53.21 2qss n LEU 47 Cb 0.47 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.32 2qss n LEU 47 CO 0.67 0.80 0.77 0.77 -1.33 0.00 0.00 177.39 179.07 2qss h SER 48 N 0.20 0.00 -4.35 -1.43 4.64 -1.92 -3.43 113.55 107.26 2qss h SER 48 Ca -0.00 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2qss h SER 48 Cb 1.05 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.99 2qss h SER 48 CO 0.00 0.00 -0.68 0.42 -0.87 0.00 0.00 176.83 175.71 2qss s THR 49 N -3.22 0.81 0.21 2.95 -4.23 -1.26 -5.03 115.64 105.87 2qss s THR 49 Ca 0.07 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2qss s THR 49 Cb 0.05 -2.03 0.15 0.00 1.34 0.00 0.00 72.50 72.01 2qss s THR 49 CO 0.67 -0.56 1.85 0.00 -0.54 0.00 0.00 174.62 176.04 2qss h ALA 50 N 2.72 0.94 -0.49 3.99 0.00 -1.98 -0.53 119.26 123.91 2qss h ALA 50 Ca -0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2qss h ALA 50 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2qss h ALA 50 CO 0.63 0.24 0.19 -0.44 0.00 0.00 0.00 179.25 179.88 2qss h ASP 51 N 0.89 0.68 -0.41 0.00 3.32 -1.98 -1.01 116.42 117.92 2qss h ASP 51 Ca 0.29 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2qss h ASP 51 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2qss h ASP 51 CO -0.11 0.67 0.26 0.00 -1.72 0.00 0.00 179.24 178.35 2qss h ALA 52 N 1.04 0.52 0.20 3.45 0.00 -1.77 -1.87 119.26 120.82 2qss h ALA 52 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qss h ALA 52 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qss h ALA 52 CO -0.01 -0.05 -0.13 0.28 0.00 0.00 0.00 179.25 179.34 2qss h VAL 53 N 0.53 0.72 0.00 0.00 2.07 -0.82 -2.09 116.25 116.66 2qss h VAL 53 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 2qss h VAL 53 Cb -0.04 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2qss h VAL 53 CO -0.04 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 177.50 2qss h MET 54 N -0.33 0.00 -0.34 1.57 2.07 -1.00 -2.56 114.93 114.34 2qss h MET 54 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2qss h MET 54 Cb 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 2qss h MET 54 CO 0.01 0.28 0.00 0.09 1.07 0.00 0.00 176.91 178.36 2qss n ASN 55 N -4.20 3.29 -4.65 1.22 3.02 -0.72 -4.82 115.26 108.40 2qss n ASN 55 Ca -0.02 -1.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 2qss n ASN 55 Cb 0.33 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2qss n ASN 55 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qss s ASN 56 N -1.41 6.65 0.51 6.41 3.84 -0.79 -4.91 114.94 125.24 2qss s ASN 56 Ca 0.35 1.76 0.17 0.00 0.21 0.00 0.00 52.86 55.35 2qss s ASN 56 Cb 0.21 -2.53 1.26 0.00 -0.55 0.00 0.00 41.25 39.63 2qss s ASN 56 CO 0.29 -1.01 2.12 1.55 -2.79 0.00 0.00 177.10 177.26 2qss h PRO 57 N 9.52 0.00 -0.18 0.43 0.13 -1.91 -0.15 132.00 139.85 2qss h PRO 57 Ca -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 2qss h PRO 57 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2qss h PRO 57 CO 0.98 0.05 -0.56 0.87 -0.23 0.00 0.00 178.00 179.10 2qss h LYS 58 N 0.00 0.55 -0.15 0.86 1.57 -1.91 0.27 116.57 117.76 2qss h LYS 58 Ca -0.00 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2qss h LYS 58 Cb 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qss h LYS 58 CO 0.01 0.96 -0.01 0.28 -0.57 0.00 0.00 179.45 180.11 2qss h VAL 59 N 0.42 1.27 -0.14 0.50 2.07 -1.62 0.32 116.25 119.06 2qss h VAL 59 Ca 0.00 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2qss h VAL 59 Cb 1.11 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2qss h VAL 59 CO 0.11 0.27 0.05 0.50 0.02 0.00 0.00 177.57 178.52 2qss h LYS 60 N 0.01 0.12 -0.46 1.57 1.63 -0.88 0.24 116.57 118.80 2qss h LYS 60 Ca 0.04 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2qss h LYS 60 Cb 0.41 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2qss h LYS 60 CO 0.01 0.08 0.17 0.00 -3.45 0.00 0.00 179.45 176.26 2qss h ALA 61 N 1.08 0.59 -0.38 5.00 0.00 -0.44 -1.98 119.26 123.14 2qss h ALA 61 Ca 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2qss h ALA 61 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qss h ALA 61 CO -0.06 0.21 -0.24 1.25 0.00 0.00 0.00 179.25 180.42 2qss h HIS 62 N 0.59 0.87 -0.97 0.00 -0.00 -0.69 -2.80 115.15 112.16 2qss h HIS 62 Ca 0.15 -0.20 0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2qss h HIS 62 Cb 0.22 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.36 2qss h HIS 62 CO 0.01 0.93 0.63 0.78 -0.00 0.00 0.00 177.93 180.27 2qss h GLY 63 N 0.96 1.45 0.82 5.26 0.00 -0.27 -1.50 103.07 109.79 2qss h GLY 63 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.00 2qss h GLY 63 CO 0.06 0.34 0.36 1.70 0.00 0.00 0.00 176.54 179.00 2qss h LYS 64 N 1.14 0.68 -0.44 4.80 3.64 -1.10 -0.73 116.57 124.57 2qss h LYS 64 Ca 0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2qss h LYS 64 Cb 0.16 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2qss h LYS 64 CO -0.16 0.45 0.28 0.87 -2.27 0.00 0.00 179.45 178.63 2qss h LYS 65 N 0.70 0.58 -0.20 1.90 1.57 -1.16 0.10 116.57 120.06 2qss h LYS 65 Ca 0.25 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2qss h LYS 65 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2qss h LYS 65 CO -0.12 0.39 0.12 0.28 -0.57 0.00 0.00 179.45 179.54 2qss h VAL 66 N 0.59 1.10 -0.72 0.50 2.07 -1.07 -0.33 116.25 118.39 2qss h VAL 66 Ca 0.16 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2qss h VAL 66 Cb -0.06 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2qss h VAL 66 CO -0.03 0.09 0.33 0.25 0.02 0.00 0.00 177.57 178.23 2qss h LEU 67 N 0.23 0.95 -1.67 2.57 5.85 -0.95 0.28 115.31 122.58 2qss h LEU 67 Ca 0.07 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2qss h LEU 67 Cb 0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2qss h LEU 67 CO -0.01 0.84 0.23 0.44 -0.34 0.00 0.00 178.44 179.59 2qss h ASP 68 N 1.01 0.38 -0.22 1.25 3.32 -0.51 0.13 116.42 121.78 2qss h ASP 68 Ca 0.24 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2qss h ASP 68 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qss h ASP 68 CO -0.03 0.28 -0.14 -1.28 -1.72 0.00 0.00 179.24 176.35 2qss h SER 69 N 0.45 0.50 -0.26 6.45 0.87 0.12 -0.88 113.55 120.80 2qss h SER 69 Ca 0.13 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.28 2qss h SER 69 Cb -0.03 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2qss h SER 69 CO -0.03 0.82 0.07 -0.26 -0.53 0.00 0.00 176.83 176.91 2qss h PHE 70 N 0.17 0.13 -0.91 2.24 0.04 -0.45 -1.04 116.94 117.14 2qss h PHE 70 Ca 0.04 0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.95 2qss h PHE 70 Cb 0.65 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.71 2qss h PHE 70 CO 0.07 0.05 0.58 0.77 -0.60 0.00 0.00 178.31 179.18 2qss h SER 71 N 0.19 0.76 -0.05 2.17 0.02 -0.65 -0.15 113.55 115.83 2qss h SER 71 Ca 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2qss h SER 71 Cb 0.10 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2qss h SER 71 CO -0.14 0.42 0.01 -1.13 -1.14 0.00 0.00 176.83 174.84 2qss h ASN 72 N 0.82 0.09 -0.79 3.07 -1.24 -0.81 -3.11 115.58 113.61 2qss h ASN 72 Ca 0.44 -0.28 0.11 0.00 0.71 0.00 0.00 56.30 57.27 2qss h ASN 72 Cb 0.55 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.52 2qss h ASN 72 CO -0.20 0.34 0.51 1.23 -1.29 0.00 0.00 177.43 178.03 2qss h GLY 73 N -0.18 1.00 1.87 1.57 0.00 -0.41 -1.47 103.07 105.45 2qss h GLY 73 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2qss h GLY 73 CO 0.00 0.15 0.06 -0.33 0.00 0.00 0.00 176.54 176.42 2qss h MET 74 N 0.67 0.00 -0.00 4.80 2.86 -0.99 -0.61 114.93 121.67 2qss h MET 74 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2qss h MET 74 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2qss h MET 74 CO -0.14 0.00 -0.49 1.63 1.06 0.00 0.00 176.91 178.96 2qss n LYS 75 N -3.29 0.30 -2.58 1.72 5.02 -0.56 -4.44 118.16 114.32 2qss n LYS 75 Ca -0.02 -0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 55.96 2qss n LYS 75 Cb 0.14 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 2qss n LYS 75 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qss n HIS 76 N -1.19 1.82 0.25 2.13 8.25 -0.25 -4.94 115.22 121.29 2qss n HIS 76 Ca 0.07 -2.50 0.10 0.00 -0.26 0.00 0.00 57.72 55.13 2qss n HIS 76 Cb 0.35 -0.27 0.66 0.00 1.12 0.00 0.00 29.99 31.84 2qss n HIS 76 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qss h LEU 77 N 2.65 0.00 -0.40 2.41 3.38 -1.75 -0.15 115.31 121.46 2qss h LEU 77 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qss h LEU 77 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2qss h LEU 77 CO 0.48 0.14 -0.04 0.47 0.09 0.00 0.00 178.44 179.58 2qss n ASP 78 N -3.90 0.66 -2.95 -0.43 9.92 -1.26 -3.96 116.55 114.63 2qss n ASP 78 Ca -0.02 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.79 53.08 2qss n ASP 78 Cb 0.23 -0.02 0.02 0.00 -0.64 0.00 0.00 41.12 40.71 2qss n ASP 78 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2qss n ASP 79 N -0.60 -0.20 -0.16 -2.24 2.03 -0.09 -4.77 116.55 110.53 2qss n ASP 79 Ca 0.19 -3.13 -0.01 0.00 0.52 0.00 0.00 54.79 52.36 2qss n ASP 79 Cb 0.25 0.24 0.22 0.00 -0.72 0.00 0.00 41.12 41.11 2qss n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qss h LEU 80 N 2.92 0.80 -0.20 -2.67 3.38 -1.68 -3.00 115.31 114.87 2qss h LEU 80 Ca -0.01 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2qss h LEU 80 Cb 1.06 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2qss h LEU 80 CO 0.35 0.69 -0.10 0.11 0.09 0.00 0.00 178.44 179.58 2qss h LYS 81 N 0.88 -0.08 -0.44 1.13 1.79 -1.90 -0.19 116.57 117.76 2qss h LYS 81 Ca 0.21 0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.55 2qss h LYS 81 Cb 0.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2qss h LYS 81 CO -0.03 -0.05 -0.28 0.78 -1.08 0.00 0.00 179.45 178.79 2qss h GLY 82 N -0.08 1.02 1.12 3.86 0.00 -1.96 -3.10 103.07 103.93 2qss h GLY 82 Ca 0.11 -0.95 0.02 0.00 0.00 0.00 0.00 47.33 46.51 2qss h GLY 82 CO -0.26 0.86 0.57 -0.84 0.00 0.00 0.00 176.54 176.87 2qss h THR 83 N 0.80 1.20 -0.81 4.70 2.02 -1.32 -2.85 112.91 116.63 2qss h THR 83 Ca 0.09 -0.39 -0.38 0.00 0.77 0.00 0.00 66.41 66.51 2qss h THR 83 Cb 0.85 -0.04 -0.22 0.00 -1.74 0.00 0.00 68.15 67.00 2qss h THR 83 CO 0.08 0.21 0.48 0.49 0.37 0.00 0.00 175.52 177.14 2qss n PHE 84 N -4.42 2.56 0.02 3.16 3.72 -0.11 -4.72 117.46 117.66 2qss n PHE 84 Ca 0.10 -1.50 -0.01 0.00 -0.05 0.00 0.00 57.45 56.00 2qss n PHE 84 Cb 0.05 -0.79 -0.00 0.00 -0.94 0.00 0.00 39.48 37.79 2qss n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qss h ALA 85 N 1.60 -0.88 0.00 4.37 0.00 -1.50 0.14 119.26 122.99 2qss h ALA 85 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2qss h ALA 85 Cb 2.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 2qss h ALA 85 CO 0.88 -0.87 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 2qss h ALA 86 N -1.97 1.31 -0.11 0.00 0.00 -1.85 -0.07 119.26 116.57 2qss h ALA 86 Ca -0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2qss h ALA 86 Cb 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qss h ALA 86 CO 0.01 0.04 -0.68 -0.07 0.00 0.00 0.00 179.25 178.55 2qss h LEU 87 N 0.00 0.78 -0.84 0.00 4.07 -1.88 -2.13 115.31 115.31 2qss h LEU 87 Ca -0.00 -0.65 -0.07 0.00 0.08 0.00 0.00 57.88 57.24 2qss h LEU 87 Cb 0.10 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2qss h LEU 87 CO 0.00 1.31 0.13 -1.28 -1.08 0.00 0.00 178.44 177.53 2qss h SER 88 N 0.31 0.94 -0.21 -0.43 0.87 0.12 0.20 113.55 115.34 2qss h SER 88 Ca -0.05 -0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.12 2qss h SER 88 Cb 1.32 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2qss h SER 88 CO 0.14 0.92 -0.60 1.05 -0.53 0.00 0.00 176.83 177.81 2qss h GLU 89 N 0.94 0.82 0.67 2.24 4.11 -1.42 -1.13 114.58 120.81 2qss h GLU 89 Ca 0.20 -0.55 -0.03 0.00 0.07 0.00 0.00 59.36 59.04 2qss h GLU 89 Cb 0.37 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qss h GLU 89 CO 0.00 1.18 -0.42 1.25 0.07 0.00 0.00 179.01 181.10 2qss h LEU 90 N 0.61 -1.06 -1.03 3.06 5.85 -1.17 -0.46 115.31 121.11 2qss h LEU 90 Ca -0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2qss h LEU 90 Cb 1.21 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2qss h LEU 90 CO 0.13 -0.65 -0.38 0.45 -0.34 0.00 0.00 178.44 177.65 2qss h HIS 91 N -1.03 0.24 0.00 1.25 3.86 -0.63 -1.01 115.15 117.82 2qss h HIS 91 Ca -0.08 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2qss h HIS 91 Cb 0.84 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2qss h HIS 91 CO -0.11 0.56 -0.70 0.00 0.86 0.00 0.00 177.93 178.54 2qss h ASP 93 N -0.96 0.00 0.00 0.00 3.32 -1.24 -2.95 116.42 114.60 2qss h ASP 93 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2qss h ASP 93 Cb 0.70 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 2qss h ASP 93 CO 0.00 0.17 -2.28 0.29 -1.72 0.00 0.00 179.24 175.70 2qss n LYS 94 N -3.13 0.51 0.05 3.56 5.02 -1.01 -4.74 118.16 118.43 2qss n LYS 94 Ca 0.03 0.19 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2qss n LYS 94 Cb 0.60 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 2qss n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qss n LEU 95 N -3.75 0.59 -3.80 -0.35 4.77 -0.41 -5.00 117.00 109.04 2qss n LEU 95 Ca -0.44 0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2qss n LEU 95 Cb 0.85 0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.99 2qss n LEU 95 CO 0.09 -0.03 0.05 1.41 -1.33 0.00 0.00 177.39 177.58 2qss n HIS 96 N -2.62 -2.20 -2.54 -1.77 8.25 -0.99 -4.96 115.22 108.40 2qss n HIS 96 Ca -0.05 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 2qss n HIS 96 Cb 0.65 -4.24 -0.03 0.00 1.12 0.00 0.00 29.99 27.49 2qss n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qss s VAL 97 N -3.45 4.39 0.24 1.59 1.01 -0.69 -4.98 120.40 118.51 2qss s VAL 97 Ca 0.39 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 2qss s VAL 97 Cb -0.19 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 2qss s VAL 97 CO 0.81 0.13 1.49 -0.62 0.00 0.00 0.00 175.10 176.92 2qss s ASP 98 N 1.04 6.59 0.52 3.32 -1.08 -1.26 -4.80 116.67 121.00 2qss s ASP 98 Ca 0.56 2.71 0.35 0.00 -0.52 0.00 0.00 52.55 55.65 2qss s ASP 98 Cb -0.26 -2.62 1.76 0.00 -1.46 0.00 0.00 42.92 40.34 2qss s ASP 98 CO 0.29 -0.76 2.06 -0.65 0.52 0.00 0.00 175.17 176.63 2qss h PRO 99 N 5.30 0.00 -0.78 4.34 0.11 -1.97 -0.19 132.00 138.80 2qss h PRO 99 Ca -0.46 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.79 2qss h PRO 99 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2qss h PRO 99 CO 0.80 0.00 0.52 1.49 -0.21 0.00 0.00 178.00 180.60 2qss h GLU 100 N 0.00 0.53 0.00 1.05 4.57 -2.00 -1.21 114.58 117.52 2qss h GLU 100 Ca 0.00 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2qss h GLU 100 Cb 0.17 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2qss h GLU 100 CO 0.00 0.35 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.05 2qss h ASN 101 N 0.54 0.00 -0.86 1.04 2.35 -1.39 -1.59 115.58 115.67 2qss h ASN 101 Ca 0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 2qss h ASN 101 Cb 0.71 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 2qss h ASN 101 CO -0.14 0.22 0.46 -0.26 -1.65 0.00 0.00 177.43 176.06 2qss h PHE 102 N 0.00 1.19 -0.52 1.19 0.04 -1.36 -1.07 116.94 116.41 2qss h PHE 102 Ca -0.00 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 2qss h PHE 102 Cb 0.68 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2qss h PHE 102 CO 0.00 0.83 0.01 0.87 -0.60 0.00 0.00 178.31 179.42 2qss h LYS 103 N 1.20 0.92 -0.36 1.51 1.57 -1.27 -2.01 116.57 118.11 2qss h LYS 103 Ca 0.30 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2qss h LYS 103 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2qss h LYS 103 CO -0.05 0.93 0.09 -0.07 -0.57 0.00 0.00 179.45 179.78 2qss h LEU 104 N 0.79 0.56 -0.63 2.94 3.38 -1.05 -0.68 115.31 120.61 2qss h LEU 104 Ca 0.15 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qss h LEU 104 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2qss h LEU 104 CO 0.03 0.65 0.21 0.25 0.09 0.00 0.00 178.44 179.66 2qss h LEU 105 N 0.44 0.92 -0.48 1.67 5.85 -1.14 0.32 115.31 122.89 2qss h LEU 105 Ca 0.11 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2qss h LEU 105 Cb 0.31 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2qss h LEU 105 CO 0.00 0.87 0.01 1.23 -0.34 0.00 0.00 178.44 180.22 2qss h GLY 106 N 0.91 0.51 1.21 3.75 0.00 -1.18 0.94 103.07 109.21 2qss h GLY 106 Ca 0.21 0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 2qss h GLY 106 CO -0.01 -0.13 -0.32 3.43 0.00 0.00 0.00 176.54 179.52 2qss h ASN 107 N 0.13 0.92 -0.48 0.19 -0.26 -0.56 -2.17 115.58 113.35 2qss h ASN 107 Ca 0.24 -0.39 0.04 0.00 -0.56 0.00 0.00 56.30 55.64 2qss h ASN 107 Cb 0.36 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 2qss h ASN 107 CO -0.39 1.16 0.23 0.58 -1.06 0.00 0.00 177.43 177.95 2qss h VAL 108 N 0.74 0.95 -0.66 2.81 2.07 -0.66 -1.08 116.25 120.41 2qss h VAL 108 Ca 0.08 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.52 2qss h VAL 108 Cb 0.88 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2qss h VAL 108 CO 0.08 0.08 0.32 0.25 0.02 0.00 0.00 177.57 178.32 2qss h LEU 109 N 0.46 0.40 -0.60 2.57 5.85 -0.59 0.12 115.31 123.53 2qss h LEU 109 Ca 0.21 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2qss h LEU 109 Cb 0.13 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2qss h LEU 109 CO -0.15 0.24 0.36 0.58 -0.34 0.00 0.00 178.44 179.13 2qss h VAL 110 N 0.55 1.17 -0.97 1.05 2.07 -0.91 0.86 116.25 120.08 2qss h VAL 110 Ca 0.32 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qss h VAL 110 Cb 0.33 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2qss h VAL 110 CO -0.26 0.18 0.60 0.58 0.02 0.00 0.00 177.57 178.69 2qss h VAL 111 N 0.81 1.26 -0.56 2.57 2.07 -0.25 -1.22 116.25 120.92 2qss h VAL 111 Ca 0.21 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 2qss h VAL 111 Cb -0.03 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.61 2qss h VAL 111 CO -0.04 0.27 -0.03 0.58 0.02 0.00 0.00 177.57 178.37 2qss h VAL 112 N 1.33 1.27 -0.85 2.57 2.07 -0.16 -0.23 116.25 122.24 2qss h VAL 112 Ca 0.35 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2qss h VAL 112 Cb -0.08 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2qss h VAL 112 CO -0.07 0.42 0.56 -0.07 0.02 0.00 0.00 177.57 178.43 2qss h LEU 113 N 0.90 0.94 -0.26 2.57 3.38 -0.49 -1.28 115.31 121.07 2qss h LEU 113 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2qss h LEU 113 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2qss h LEU 113 CO 0.03 0.66 0.10 0.00 0.09 0.00 0.00 178.44 179.32 2qss h ALA 114 N 1.34 0.33 -0.69 1.53 0.00 -0.75 0.92 119.26 121.95 2qss h ALA 114 Ca 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qss h ALA 114 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qss h ALA 114 CO -0.10 -0.07 0.30 -0.09 0.00 0.00 0.00 179.25 179.29 2qss h ARG 115 N 0.26 0.99 0.00 0.00 2.43 -0.81 0.24 114.38 117.50 2qss h ARG 115 Ca 0.09 -0.15 -0.20 0.00 -0.81 0.00 0.00 59.98 58.90 2qss h ARG 115 Cb 0.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2qss h ARG 115 CO -0.01 0.79 -1.08 -0.91 -1.51 0.00 0.00 179.97 177.26 2qss h ASN 116 N 0.98 0.00 -0.00 -3.80 2.35 -1.00 -3.37 115.58 110.73 2qss h ASN 116 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2qss h ASN 116 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2qss h ASN 116 CO -0.02 0.86 -0.22 0.49 -1.65 0.00 0.00 177.43 176.89 2qss n PHE 117 N -3.22 0.00 0.00 1.19 3.72 0.30 -5.05 117.46 114.39 2qss n PHE 117 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2qss n PHE 117 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2qss n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qss n GLY 118 N 0.92 2.82 0.29 1.37 0.00 0.06 -1.98 105.19 108.68 2qss n GLY 118 Ca 0.03 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.37 2qss n GLY 118 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qss h LYS 119 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.45 116.57 118.77 2qss h LYS 119 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2qss h LYS 119 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2qss h LYS 119 CO 0.00 0.00 -0.17 1.49 -2.00 0.00 0.00 179.45 178.77 2qss h GLU 120 N 0.00 0.00 -4.02 0.07 4.81 -1.81 -3.34 114.58 110.29 2qss h GLU 120 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2qss h GLU 120 Cb 0.38 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.58 2qss h GLU 120 CO 0.00 0.17 1.65 0.34 -0.73 0.00 0.00 179.01 180.44 2qss n PHE 121 N -3.52 3.85 -1.11 0.92 7.35 0.15 -4.96 117.46 120.13 2qss n PHE 121 Ca -0.01 -3.06 -0.30 0.00 -0.76 0.00 0.00 57.45 53.32 2qss n PHE 121 Cb 0.33 -2.02 0.13 0.00 0.35 0.00 0.00 39.48 38.26 2qss n PHE 121 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qss s THR 122 N 0.72 2.84 0.28 -2.13 -4.23 -1.25 -4.67 115.64 107.19 2qss s THR 122 Ca 0.40 0.27 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2qss s THR 122 Cb 0.04 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.48 2qss s THR 122 CO 0.01 -0.36 1.75 -0.65 -0.54 0.00 0.00 174.62 174.83 2qss h PRO 123 N -1.46 0.59 -0.32 3.99 0.11 -1.93 0.53 132.00 133.50 2qss h PRO 123 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2qss h PRO 123 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2qss h PRO 123 CO 0.51 0.39 0.07 0.28 -0.21 0.00 0.00 178.00 179.04 2qss h VAL 124 N 0.61 1.23 -0.56 3.15 2.07 -1.99 -0.32 116.25 120.43 2qss h VAL 124 Ca 0.51 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2qss h VAL 124 Cb 0.80 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2qss h VAL 124 CO -0.40 0.26 0.05 -0.07 0.02 0.00 0.00 177.57 177.42 2qss h LEU 125 N 0.37 0.93 -0.70 2.57 3.38 -1.80 -1.91 115.31 118.16 2qss h LEU 125 Ca 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2qss h LEU 125 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2qss h LEU 125 CO 0.00 0.98 0.29 -0.61 0.09 0.00 0.00 178.44 179.19 2qss h GLN 126 N 0.85 1.04 -0.95 1.13 4.15 -0.77 -1.06 115.11 119.51 2qss h GLN 126 Ca 0.17 -0.18 0.09 0.00 0.77 0.00 0.00 58.65 59.49 2qss h GLN 126 Cb 0.47 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 2qss h GLN 126 CO 0.02 0.86 0.59 0.00 -1.93 0.00 0.00 178.83 178.37 2qss h ALA 127 N 1.13 1.35 -0.18 3.38 0.00 -0.66 0.13 119.26 124.42 2qss h ALA 127 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qss h ALA 127 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qss h ALA 127 CO -0.02 0.29 0.10 -0.44 0.00 0.00 0.00 179.25 179.18 2qss h ASP 128 N 1.02 0.16 0.27 0.00 3.32 -0.53 -2.55 116.42 118.10 2qss h ASP 128 Ca 0.44 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 2qss h ASP 128 Cb 0.30 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2qss h ASP 128 CO -0.21 0.12 -0.21 -0.26 -1.72 0.00 0.00 179.24 176.95 2qss h PHE 129 N 0.21 0.00 -0.72 4.55 0.04 0.05 -1.83 116.94 119.24 2qss h PHE 129 Ca 0.07 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 2qss h PHE 129 Cb -0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2qss h PHE 129 CO -0.08 0.21 0.27 1.96 -0.60 0.00 0.00 178.31 180.07 2qss h GLN 130 N 0.00 1.08 -0.54 1.51 1.08 -0.41 0.14 115.11 117.97 2qss h GLN 130 Ca -0.00 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 2qss h GLN 130 Cb 0.41 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2qss h GLN 130 CO 0.03 0.89 0.25 0.87 -0.95 0.00 0.00 178.83 179.91 2qss h LYS 131 N 1.05 0.80 0.31 1.46 1.57 -1.02 -1.84 116.57 118.90 2qss h LYS 131 Ca 0.24 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2qss h LYS 131 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2qss h LYS 131 CO -0.02 0.67 -0.15 0.28 -0.57 0.00 0.00 179.45 179.66 2qss h VAL 132 N 0.74 0.71 -0.17 0.50 2.07 -0.91 0.80 116.25 119.99 2qss h VAL 132 Ca 0.19 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2qss h VAL 132 Cb 0.15 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2qss h VAL 132 CO -0.02 0.03 -0.20 -0.37 0.02 0.00 0.00 177.57 177.03 2qss h VAL 133 N -0.50 1.22 -0.48 2.57 -1.51 -0.96 0.77 116.25 117.37 2qss h VAL 133 Ca -0.04 -1.03 -0.10 0.00 -1.23 0.00 0.00 66.70 64.30 2qss h VAL 133 Cb 0.38 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2qss h VAL 133 CO 0.07 0.32 -0.10 0.00 -1.23 0.00 0.00 177.57 176.63 2qss h ALA 134 N 1.53 0.65 -0.20 5.19 0.00 -1.20 0.10 119.26 125.33 2qss h ALA 134 Ca 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2qss h ALA 134 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2qss h ALA 134 CO 0.03 0.54 -0.08 0.78 0.00 0.00 0.00 179.25 180.52 2qss h GLY 135 N 0.75 0.10 0.95 0.00 0.00 0.05 0.36 103.07 105.28 2qss h GLY 135 Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2qss h GLY 135 CO 0.04 -0.11 0.12 -2.08 0.00 0.00 0.00 176.54 174.52 2qss h VAL 136 N -0.05 1.11 -0.36 4.60 2.07 -0.72 -0.41 116.25 122.49 2qss h VAL 136 Ca 0.11 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2qss h VAL 136 Cb 0.21 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2qss h VAL 136 CO -0.24 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.58 2qss h ALA 137 N 1.01 0.42 -0.48 1.67 0.00 -0.66 -0.18 119.26 121.04 2qss h ALA 137 Ca 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qss h ALA 137 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qss h ALA 137 CO -0.01 -0.28 0.07 -0.97 0.00 0.00 0.00 179.25 178.06 2qss h ASN 138 N 0.26 0.71 -0.39 0.00 -0.73 -0.61 -1.70 115.58 113.12 2qss h ASN 138 Ca 0.17 -0.14 -0.09 0.00 1.87 0.00 0.00 56.30 58.11 2qss h ASN 138 Cb 0.15 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 2qss h ASN 138 CO -0.18 0.73 -0.11 0.00 -0.37 0.00 0.00 177.43 177.51 2qss h ALA 139 N 1.36 0.54 -0.26 1.57 0.00 -0.65 -2.87 119.26 118.94 2qss h ALA 139 Ca 0.15 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2qss h ALA 139 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qss h ALA 139 CO 0.01 0.41 -0.10 -0.07 0.00 0.00 0.00 179.25 179.49 2qss h LEU 140 N 0.56 0.40 -0.11 0.00 3.38 -0.67 -2.86 115.31 116.01 2qss h LEU 140 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qss h LEU 140 Cb 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qss h LEU 140 CO 0.04 0.54 -0.06 0.00 0.09 0.00 0.00 178.44 179.05 2qss n ALA 141 N -2.48 2.64 -0.18 1.53 0.00 -0.67 -4.33 120.51 117.01 2qss n ALA 141 Ca 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 53.44 53.38 2qss n ALA 141 Cb 0.29 -1.41 0.47 0.00 0.00 0.00 0.00 19.45 18.80 2qss n ALA 141 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qss h HIS 142 N 0.26 0.57 0.00 0.00 6.17 -1.28 -0.69 115.15 120.18 2qss h HIS 142 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2qss h HIS 142 Cb 0.32 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.07 2qss h HIS 142 CO 0.00 0.23 0.00 0.54 0.71 0.00 0.00 177.93 179.41 2qss n ARG 143 N -4.50 0.18 0.11 5.26 5.12 -1.26 -0.97 116.66 120.60 2qss n ARG 143 Ca 0.14 0.49 0.06 0.00 -1.93 0.00 0.00 57.85 56.62 2qss n ARG 143 Cb 0.49 -1.90 0.01 0.00 -1.16 0.00 0.00 32.46 29.90 2qss n ARG 143 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2qss h TYR 144 N 0.00 0.00 0.00 -1.55 0.05 -1.44 -3.47 116.97 110.56 2qss h TYR 144 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qss h TYR 144 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2qss h TYR 144 CO 0.00 0.31 0.00 0.72 -1.05 0.00 0.00 178.16 178.14