#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 4.16 0.94 -0.89 1.43 -1.26 -5.07 118.68 117.99 2qss s LEU 2 Ca 0.00 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 2qss s LEU 2 Cb 0.00 -3.98 0.15 0.00 0.03 0.00 0.00 46.19 42.39 2qss s LEU 2 CO 0.00 -0.14 1.09 0.42 0.23 0.00 0.00 176.35 177.95 2qss s THR 3 N -1.83 2.48 0.40 5.49 -4.23 -1.26 -4.79 115.64 111.88 2qss s THR 3 Ca 0.51 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.25 2qss s THR 3 Cb -0.13 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.45 2qss s THR 3 CO 0.18 -0.20 2.01 0.00 -0.54 0.00 0.00 174.62 176.07 2qss h ALA 4 N -1.74 1.75 -0.51 3.99 0.00 -1.99 -0.37 119.26 120.40 2qss h ALA 4 Ca -0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2qss h ALA 4 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2qss h ALA 4 CO 0.53 0.17 0.22 1.49 0.00 0.00 0.00 179.25 181.67 2qss h GLU 5 N 0.61 0.74 -0.44 0.00 4.81 -1.99 -0.77 114.58 117.55 2qss h GLU 5 Ca 0.23 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 2qss h GLU 5 Cb 0.15 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2qss h GLU 5 CO -0.06 0.64 -0.26 0.93 -0.73 0.00 0.00 179.01 179.53 2qss h GLU 6 N 0.68 0.95 -0.49 1.92 5.08 -1.76 -1.16 114.58 119.80 2qss h GLU 6 Ca 0.17 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2qss h GLU 6 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2qss h GLU 6 CO -0.02 1.10 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.86 2qss h LYS 7 N 0.79 0.83 -0.26 2.33 3.64 -0.99 -1.32 116.57 121.58 2qss h LYS 7 Ca 0.09 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2qss h LYS 7 Cb 0.84 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2qss h LYS 7 CO 0.07 0.84 -0.14 0.00 -2.27 0.00 0.00 179.45 177.96 2qss h ALA 8 N 1.21 0.37 -0.11 5.00 0.00 -0.91 -0.97 119.26 123.86 2qss h ALA 8 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2qss h ALA 8 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qss h ALA 8 CO 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 2qss h ALA 9 N 0.73 0.01 -0.74 0.00 0.00 -1.10 -0.23 119.26 117.93 2qss h ALA 9 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qss h ALA 9 Cb 0.65 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2qss h ALA 9 CO 0.04 -0.54 0.38 0.28 0.00 0.00 0.00 179.25 179.41 2qss h VAL 10 N -0.09 1.23 -0.26 0.00 2.07 -1.18 -1.56 116.25 116.47 2qss h VAL 10 Ca 0.07 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 2qss h VAL 10 Cb 0.20 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qss h VAL 10 CO -0.17 0.26 -0.26 0.74 0.02 0.00 0.00 177.57 178.16 2qss h THR 11 N 1.03 1.31 -0.51 2.57 2.02 -0.96 -0.85 112.91 117.52 2qss h THR 11 Ca 0.26 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 2qss h THR 11 Cb 0.07 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2qss h THR 11 CO -0.04 0.45 0.22 0.00 0.37 0.00 0.00 175.52 176.52 2qss h ALA 12 N 0.68 0.66 0.06 6.16 0.00 -0.93 -0.95 119.26 124.94 2qss h ALA 12 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qss h ALA 12 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qss h ALA 12 CO 0.06 0.26 -0.03 0.35 0.00 0.00 0.00 179.25 179.89 2qss h PHE 13 N 0.69 -0.08 -0.28 0.00 3.57 -1.18 -2.94 116.94 116.70 2qss h PHE 13 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2qss h PHE 13 Cb 0.17 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2qss h PHE 13 CO 0.00 -0.05 0.02 2.35 -2.23 0.00 0.00 178.31 178.40 2qss h TRP 14 N -0.09 0.43 -0.94 0.41 2.91 -0.97 -2.07 115.95 115.62 2qss h TRP 14 Ca -0.01 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.04 2qss h TRP 14 Cb 0.07 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.53 2qss h TRP 14 CO -0.07 0.42 0.61 0.78 -1.03 0.00 0.00 178.44 179.15 2qss h GLY 15 N 0.71 1.40 0.96 2.65 0.00 -1.01 -3.31 103.07 104.47 2qss h GLY 15 Ca 0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 47.33 46.69 2qss h GLY 15 CO 0.00 0.32 -1.72 0.58 0.00 0.00 0.00 176.54 175.72 2qss n LYS 16 N -4.49 0.63 -2.71 4.80 2.85 -0.81 -4.96 118.16 113.47 2qss n LYS 16 Ca 0.14 0.29 -0.37 0.00 -1.05 0.00 0.00 58.31 57.33 2qss n LYS 16 Cb 0.19 -1.79 -0.06 0.00 -0.65 0.00 0.00 35.03 32.72 2qss n LYS 16 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2qss s VAL 17 N -2.60 4.07 -0.39 0.58 -7.23 -1.02 -5.00 120.40 108.81 2qss s VAL 17 Ca -0.05 1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 61.59 2qss s VAL 17 Cb 0.08 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 33.09 2qss s VAL 17 CO 0.82 0.13 0.83 -0.54 -0.31 0.00 0.00 175.10 176.03 2qss s LYS 18 N -2.10 3.67 -0.06 4.82 -0.14 -1.26 -4.93 119.74 119.74 2qss s LYS 18 Ca 0.51 0.26 0.09 0.00 -1.36 0.00 0.00 55.97 55.47 2qss s LYS 18 Cb -0.20 -3.85 0.13 0.00 -1.68 0.00 0.00 37.83 32.23 2qss s LYS 18 CO 0.26 -0.97 1.06 1.33 -0.76 0.00 0.00 175.35 176.27 2qss n VAL 19 N 5.97 1.39 0.41 3.17 0.24 -1.26 -4.81 118.33 123.44 2qss n VAL 19 Ca 0.04 -1.56 0.06 0.00 -2.04 0.00 0.00 64.34 60.84 2qss n VAL 19 Cb 0.48 0.17 0.27 0.00 -1.47 0.00 0.00 33.84 33.29 2qss n VAL 19 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2qss n ASP 20 N -0.92 0.03 -0.16 -1.34 5.68 -1.26 -1.90 116.55 116.69 2qss n ASP 20 Ca 0.07 0.51 0.04 0.00 -0.50 0.00 0.00 54.79 54.92 2qss n ASP 20 Cb 0.43 -0.52 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 2qss n ASP 20 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qss n GLU 21 N -1.54 2.63 -0.23 0.11 1.02 -1.26 -4.73 120.64 116.65 2qss n GLU 21 Ca 0.03 -0.43 -0.06 0.00 -0.02 0.00 0.00 57.16 56.68 2qss n GLU 21 Cb 0.14 -1.02 0.05 0.00 -0.02 0.00 0.00 31.44 30.58 2qss n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qss h VAL 22 N 0.77 1.16 -0.37 2.62 2.07 -1.72 -2.28 116.25 118.51 2qss h VAL 22 Ca 0.00 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2qss h VAL 22 Cb 0.29 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2qss h VAL 22 CO 0.00 0.16 -0.14 1.23 0.02 0.00 0.00 177.57 178.84 2qss h GLY 23 N 0.86 0.80 1.01 2.17 0.00 -1.76 0.29 103.07 106.44 2qss h GLY 23 Ca 0.24 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2qss h GLY 23 CO -0.05 0.64 0.47 -1.33 0.00 0.00 0.00 176.54 176.27 2qss h GLY 24 N 0.53 1.02 0.96 4.60 0.00 -1.69 -0.21 103.07 108.29 2qss h GLY 24 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2qss h GLY 24 CO 0.05 0.38 0.15 -2.09 0.00 0.00 0.00 176.54 175.03 2qss h GLU 25 N 0.98 0.70 -0.35 4.80 4.81 -1.13 -0.34 114.58 124.05 2qss h GLU 25 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2qss h GLU 25 Cb -0.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2qss h GLU 25 CO -0.06 0.66 0.08 0.00 -0.73 0.00 0.00 179.01 178.96 2qss h ALA 26 N 1.00 0.47 -0.57 2.92 0.00 -0.52 -0.26 119.26 122.30 2qss h ALA 26 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2qss h ALA 26 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qss h ALA 26 CO -0.01 0.15 0.05 1.25 0.00 0.00 0.00 179.25 180.69 2qss h LEU 27 N 0.42 0.94 -0.29 0.00 6.46 -1.01 -1.19 115.31 120.65 2qss h LEU 27 Ca 0.11 -0.28 0.03 0.00 -0.12 0.00 0.00 57.88 57.61 2qss h LEU 27 Cb 0.32 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 2qss h LEU 27 CO 0.00 0.99 0.12 1.23 -0.62 0.00 0.00 178.44 180.16 2qss h GLY 28 N 0.86 0.37 1.08 3.75 0.00 -0.89 -2.53 103.07 105.71 2qss h GLY 28 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2qss h GLY 28 CO 0.02 0.06 0.23 3.21 0.00 0.00 0.00 176.54 180.06 2qss h ARG 29 N 0.26 1.15 -0.54 4.80 3.08 -0.82 -1.46 114.38 120.84 2qss h ARG 29 Ca 0.12 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 60.02 2qss h ARG 29 Cb 0.07 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 2qss h ARG 29 CO -0.11 0.97 0.13 1.25 -1.07 0.00 0.00 179.97 181.15 2qss h LEU 30 N 1.10 0.05 -0.67 3.04 5.85 -0.90 0.13 115.31 123.92 2qss h LEU 30 Ca 0.24 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.94 2qss h LEU 30 Cb 0.30 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2qss h LEU 30 CO -0.01 0.05 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.55 2qss h LEU 31 N 0.28 0.00 0.09 2.25 3.38 -0.98 0.55 115.31 120.87 2qss h LEU 31 Ca 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 2qss h LEU 31 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qss h LEU 31 CO -0.33 0.52 -0.53 0.58 0.09 0.00 0.00 178.44 178.77 2qss h VAL 32 N 0.00 1.60 0.02 1.22 2.07 -0.95 -3.31 116.25 116.89 2qss h VAL 32 Ca -0.01 -2.43 -0.21 0.00 0.82 0.00 0.00 66.70 64.88 2qss h VAL 32 Cb 1.11 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 34.08 2qss h VAL 32 CO 0.07 0.67 -0.93 0.58 0.02 0.00 0.00 177.57 177.98 2qss h VAL 33 N -0.55 1.50 -2.53 2.57 2.07 -0.69 -3.38 116.25 115.24 2qss h VAL 33 Ca -0.09 -2.69 -0.60 0.00 0.82 0.00 0.00 66.70 64.14 2qss h VAL 33 Cb 1.40 2.53 -0.41 0.00 -1.52 0.00 0.00 31.29 33.30 2qss h VAL 33 CO 0.10 0.78 -0.76 -1.22 0.02 0.00 0.00 177.57 176.49 2qss n TYR 34 N -3.64 1.74 0.28 1.57 4.01 0.18 -5.00 117.16 116.30 2qss n TYR 34 Ca -0.04 -3.91 0.14 0.00 -0.16 0.00 0.00 57.90 53.92 2qss n TYR 34 Cb 0.84 -0.34 0.67 0.00 -0.31 0.00 0.00 39.34 40.19 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 4.96 0.00 0.00 -0.72 0.11 -1.75 -0.79 132.00 133.81 2qss h PRO 35 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2qss h PRO 35 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2qss h PRO 35 CO 0.62 0.00 -0.04 0.11 -0.21 0.00 0.00 178.00 178.48 2qss h TRP 36 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.18 115.95 113.59 2qss h TRP 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2qss h TRP 36 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 2qss h TRP 36 CO 0.00 0.04 0.00 1.79 0.09 0.00 0.00 178.44 180.36 2qss h THR 37 N 0.00 0.00 0.00 0.12 1.35 -1.46 -1.82 112.91 111.10 2qss h THR 37 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2qss h THR 37 Cb 0.15 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2qss h THR 37 CO 0.00 0.00 -0.04 1.56 -0.25 0.00 0.00 175.52 176.80 2qss h GLN 38 N 0.00 0.00 -0.87 4.72 4.20 -1.40 -2.73 115.11 119.03 2qss h GLN 38 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 2qss h GLN 38 Cb 0.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2qss h GLN 38 CO 0.00 0.04 0.57 -0.09 -0.67 0.00 0.00 178.83 178.68 2qss h ARG 39 N 0.00 0.49 -0.00 1.46 2.43 -1.51 -0.76 114.38 116.48 2qss h ARG 39 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qss h ARG 39 Cb 0.11 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qss h ARG 39 CO 0.00 0.32 -0.00 1.19 -1.51 0.00 0.00 179.97 179.97 2qss n PHE 40 N -4.53 0.00 -1.94 2.20 3.01 -1.03 -3.96 117.46 111.22 2qss n PHE 40 Ca 0.18 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.68 2qss n PHE 40 Cb 0.59 -0.37 0.14 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.37 0.09 -0.21 1.38 3.72 -0.29 -4.81 117.46 115.97 2qss n PHE 41 Ca 0.11 -1.19 0.14 0.00 -0.05 0.00 0.00 57.45 56.47 2qss n PHE 41 Cb 0.28 -0.22 0.45 0.00 -0.94 0.00 0.00 39.48 39.06 2qss n PHE 41 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qss h GLU 42 N 1.05 0.51 0.00 -1.08 4.81 -1.68 -0.62 114.58 117.58 2qss h GLU 42 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2qss h GLU 42 Cb 1.33 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2qss h GLU 42 CO 0.06 0.34 0.00 -1.13 -0.73 0.00 0.00 179.01 177.55 2qss n SER 43 N -4.51 0.00 0.03 1.04 3.41 -1.26 -2.95 113.62 109.37 2qss n SER 43 Ca 0.15 0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.96 2qss n SER 43 Cb 0.50 -0.28 0.40 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.28 0.24 0.00 7.33 3.01 -0.24 -5.04 117.46 121.48 2qss n PHE 44 Ca 0.07 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.60 2qss n PHE 44 Cb 0.12 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 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 1.44 0.97 3.59 1.37 0.00 -1.15 -4.69 105.19 106.71 2qss n GLY 45 Ca 0.06 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 6.48 -0.18 1.61 -1.08 -1.26 -4.82 116.67 113.42 2qss s ASP 46 Ca 0.00 0.39 0.13 0.00 -0.52 0.00 0.00 52.55 52.55 2qss s ASP 46 Cb 0.00 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 39.32 2qss s ASP 46 CO 0.00 -1.40 1.21 0.18 0.52 0.00 0.00 175.17 175.68 2qss n LEU 47 N 8.35 2.46 0.22 -1.34 4.77 -1.26 -4.02 117.00 126.17 2qss n LEU 47 Ca 0.12 -3.61 0.12 0.00 -0.03 0.00 0.00 56.01 52.61 2qss n LEU 47 Cb 0.49 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 2qss n LEU 47 CO 0.72 1.25 0.79 0.77 -1.33 0.00 0.00 177.39 179.59 2qss h SER 48 N 0.94 0.00 -5.16 -1.43 4.64 -1.92 -3.44 113.55 107.18 2qss h SER 48 Ca -0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 2qss h SER 48 Cb 1.12 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 2qss h SER 48 CO 0.01 0.01 -0.68 0.42 -0.87 0.00 0.00 176.83 175.72 2qss s THR 49 N -3.21 0.28 0.20 2.95 -4.23 -1.26 -5.03 115.64 105.34 2qss s THR 49 Ca 0.07 -1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 2qss s THR 49 Cb 0.05 -1.57 0.13 0.00 1.34 0.00 0.00 72.50 72.46 2qss s THR 49 CO 0.67 -0.96 1.71 0.00 -0.54 0.00 0.00 174.62 175.51 2qss h ALA 50 N 3.11 0.64 -0.64 3.99 0.00 -1.97 0.86 119.26 125.25 2qss h ALA 50 Ca -0.34 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2qss h ALA 50 Cb 1.15 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2qss h ALA 50 CO 0.66 -0.29 0.22 -0.44 0.00 0.00 0.00 179.25 179.39 2qss h ASP 51 N 0.26 0.91 -0.27 0.00 3.32 -1.98 -1.05 116.42 117.62 2qss h ASP 51 Ca 0.28 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2qss h ASP 51 Cb 0.39 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2qss h ASP 51 CO -0.35 0.87 0.16 0.00 -1.72 0.00 0.00 179.24 178.20 2qss h ALA 52 N 1.08 0.34 -0.12 3.45 0.00 -1.69 -1.80 119.26 120.52 2qss h ALA 52 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qss h ALA 52 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qss h ALA 52 CO -0.01 -0.16 -0.04 0.28 0.00 0.00 0.00 179.25 179.32 2qss h VAL 53 N 0.34 0.86 -0.09 0.00 2.07 -0.59 -0.30 116.25 118.54 2qss h VAL 53 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 2qss h VAL 53 Cb 0.00 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2qss h VAL 53 CO -0.02 0.00 -0.41 0.24 0.02 0.00 0.00 177.57 177.40 2qss h MET 54 N -0.01 0.19 -0.05 1.57 2.07 -0.95 -2.70 114.93 115.05 2qss h MET 54 Ca 0.06 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2qss h MET 54 Cb 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 2qss h MET 54 CO -0.13 0.57 0.00 0.09 1.07 0.00 0.00 176.91 178.51 2qss n ASN 55 N -4.03 2.41 -4.65 1.22 3.02 -0.70 -4.81 115.26 107.72 2qss n ASN 55 Ca -0.02 -1.80 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 2qss n ASN 55 Cb 0.47 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.95 6.38 0.45 6.41 3.84 -0.13 -4.88 114.94 125.06 2qss s ASN 56 Ca 0.33 2.49 0.15 0.00 0.21 0.00 0.00 52.86 56.03 2qss s ASN 56 Cb 0.20 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.38 2qss s ASN 56 CO 0.31 -1.13 1.99 -0.65 -2.79 0.00 0.00 177.10 174.83 2qss h PRO 57 N 10.87 0.00 -0.29 0.43 0.11 -1.90 -1.71 132.00 139.51 2qss h PRO 57 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2qss h PRO 57 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2qss h PRO 57 CO 0.95 0.18 -0.32 0.87 -0.21 0.00 0.00 178.00 179.47 2qss h LYS 58 N 0.00 0.62 -0.33 1.05 1.57 -1.90 -0.83 116.57 116.75 2qss h LYS 58 Ca -0.00 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2qss h LYS 58 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2qss h LYS 58 CO 0.02 0.86 0.08 0.28 -0.57 0.00 0.00 179.45 180.12 2qss h VAL 59 N 0.53 1.22 -0.44 0.50 2.07 -1.64 -0.64 116.25 117.85 2qss h VAL 59 Ca 0.06 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2qss h VAL 59 Cb 0.81 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2qss h VAL 59 CO 0.07 0.25 0.23 0.11 0.02 0.00 0.00 177.57 178.25 2qss h LYS 60 N 0.37 0.62 -0.51 1.57 1.57 -1.27 -0.12 116.57 118.81 2qss h LYS 60 Ca 0.10 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2qss h LYS 60 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2qss h LYS 60 CO 0.00 0.50 0.09 0.00 -0.57 0.00 0.00 179.45 179.48 2qss h ALA 61 N 1.08 0.67 -0.27 3.86 0.00 -1.05 -2.39 119.26 121.16 2qss h ALA 61 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2qss h ALA 61 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qss h ALA 61 CO -0.02 0.40 -0.00 1.25 0.00 0.00 0.00 179.25 180.87 2qss h HIS 62 N 0.71 0.53 -0.99 0.00 -0.00 -0.97 -2.98 115.15 111.45 2qss h HIS 62 Ca 0.15 -0.09 0.16 0.00 -0.00 0.00 0.00 60.37 60.59 2qss h HIS 62 Cb 0.39 -0.14 -0.10 0.00 -0.00 0.00 0.00 27.41 27.56 2qss h HIS 62 CO 0.03 0.64 0.61 0.78 -0.00 0.00 0.00 177.93 179.99 2qss h GLY 63 N 0.27 1.70 1.02 5.26 0.00 -0.90 0.20 103.07 110.61 2qss h GLY 63 Ca 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2qss h GLY 63 CO 0.01 0.04 0.35 1.70 0.00 0.00 0.00 176.54 178.64 2qss h LYS 64 N 0.86 1.05 -0.36 4.80 3.64 -1.29 -0.37 116.57 124.90 2qss h LYS 64 Ca 0.54 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2qss h LYS 64 Cb 0.70 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2qss h LYS 64 CO -0.33 0.82 -0.13 0.87 -2.27 0.00 0.00 179.45 178.41 2qss h LYS 65 N 1.02 0.63 -0.36 1.90 1.57 -0.98 0.86 116.57 121.21 2qss h LYS 65 Ca 0.25 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2qss h LYS 65 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2qss h LYS 65 CO -0.03 0.74 0.05 0.28 -0.57 0.00 0.00 179.45 179.93 2qss h VAL 66 N 0.58 1.24 -0.30 0.50 2.07 -0.56 -1.52 116.25 118.25 2qss h VAL 66 Ca 0.10 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2qss h VAL 66 Cb 0.56 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2qss h VAL 66 CO 0.04 0.29 -0.16 0.25 0.02 0.00 0.00 177.57 178.00 2qss h LEU 67 N 0.43 0.52 -0.69 2.57 5.85 -0.70 -1.53 115.31 121.76 2qss h LEU 67 Ca 0.11 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2qss h LEU 67 Cb 0.37 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2qss h LEU 67 CO 0.01 0.70 0.40 0.44 -0.34 0.00 0.00 178.44 179.64 2qss h ASP 68 N 0.48 0.60 -0.45 1.25 3.32 -0.55 0.40 116.42 121.47 2qss h ASP 68 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2qss h ASP 68 Cb 0.56 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2qss h ASP 68 CO 0.04 0.39 0.25 -1.28 -1.72 0.00 0.00 179.24 176.92 2qss h SER 69 N 0.74 0.56 -0.31 6.45 0.87 -0.75 -0.18 113.55 120.93 2qss h SER 69 Ca 0.30 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2qss h SER 69 Cb 0.16 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2qss h SER 69 CO -0.17 0.48 0.17 0.15 -0.53 0.00 0.00 176.83 176.93 2qss h PHE 70 N 0.59 0.32 -0.77 2.24 3.57 -0.37 -0.52 116.94 122.00 2qss h PHE 70 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2qss h PHE 70 Cb 0.04 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2qss h PHE 70 CO -0.02 0.18 0.50 0.77 -2.23 0.00 0.00 178.31 177.51 2qss h SER 71 N 0.35 0.84 -0.32 0.41 0.02 0.06 0.60 113.55 115.51 2qss h SER 71 Ca 0.12 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2qss h SER 71 Cb 0.02 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 2qss h SER 71 CO -0.07 0.59 0.02 -1.13 -1.14 0.00 0.00 176.83 175.10 2qss h ASN 72 N 0.99 -0.08 -0.88 3.07 -1.24 -0.77 -0.74 115.58 115.93 2qss h ASN 72 Ca 0.30 0.07 0.20 0.00 0.71 0.00 0.00 56.30 57.58 2qss h ASN 72 Cb -0.03 0.11 -0.12 0.00 0.73 0.00 0.00 38.32 39.01 2qss h ASN 72 CO -0.09 -0.01 0.39 1.23 -1.29 0.00 0.00 177.43 177.66 2qss h GLY 73 N 0.12 1.48 2.00 1.57 0.00 -0.13 -1.06 103.07 107.05 2qss h GLY 73 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2qss h GLY 73 CO -0.24 -0.22 -0.05 -0.33 0.00 0.00 0.00 176.54 175.71 2qss h MET 74 N 0.43 0.00 -0.02 4.80 2.86 0.60 -2.28 114.93 121.32 2qss h MET 74 Ca 0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 2qss h MET 74 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2qss h MET 74 CO -0.50 0.05 -0.11 1.63 1.06 0.00 0.00 176.91 179.04 2qss n LYS 75 N -3.43 1.63 -2.66 1.72 5.02 -0.41 -4.25 118.16 115.78 2qss n LYS 75 Ca -0.02 -1.14 -0.09 0.00 -2.02 0.00 0.00 58.31 55.04 2qss n LYS 75 Cb 0.17 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.32 0.98 0.29 2.13 8.25 -0.87 -4.95 115.22 121.37 2qss n HIS 76 Ca 0.15 -2.74 0.17 0.00 -0.26 0.00 0.00 57.72 55.04 2qss n HIS 76 Cb 0.43 -0.28 0.85 0.00 1.12 0.00 0.00 29.99 32.11 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 2.95 0.00 -0.02 2.41 3.38 -1.72 -0.94 115.31 121.36 2qss h LEU 77 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qss h LEU 77 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2qss h LEU 77 CO 0.47 0.05 -0.01 0.47 0.09 0.00 0.00 178.44 179.51 2qss n ASP 78 N -3.29 0.04 -2.76 -0.43 8.00 -1.26 -4.21 116.55 112.64 2qss n ASP 78 Ca -0.01 -0.45 -0.10 0.00 0.71 0.00 0.00 54.79 54.94 2qss n ASP 78 Cb 0.22 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2qss n ASP 78 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qss n ASP 79 N -1.16 -0.19 -0.21 -2.24 2.03 -0.36 -4.94 116.55 109.48 2qss n ASP 79 Ca 0.17 -2.80 -0.08 0.00 0.52 0.00 0.00 54.79 52.61 2qss n ASP 79 Cb 0.20 0.26 0.06 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.68 1.01 -0.06 -2.67 3.38 -1.72 -2.08 115.31 115.85 2qss h LEU 80 Ca -0.13 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.62 2qss h LEU 80 Cb 1.18 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 2qss h LEU 80 CO 0.27 1.03 -0.51 0.50 0.09 0.00 0.00 178.44 179.82 2qss h LYS 81 N 0.97 -0.59 -0.67 1.13 3.64 -1.90 -1.40 116.57 117.75 2qss h LYS 81 Ca 0.19 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2qss h LYS 81 Cb 0.48 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2qss h LYS 81 CO 0.02 -0.40 0.25 0.78 -2.27 0.00 0.00 179.45 177.84 2qss h GLY 82 N -0.62 1.06 1.08 5.01 0.00 -1.95 -1.56 103.07 106.10 2qss h GLY 82 Ca 0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2qss h GLY 82 CO -0.38 0.53 0.50 -0.84 0.00 0.00 0.00 176.54 176.35 2qss h THR 83 N 0.97 1.25 -0.32 4.70 2.02 -1.07 -3.18 112.91 117.27 2qss h THR 83 Ca 0.22 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2qss h THR 83 Cb 0.21 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2qss h THR 83 CO -0.02 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.64 2qss n PHE 84 N -4.35 0.41 -0.06 3.16 3.72 -0.55 -4.63 117.46 115.17 2qss n PHE 84 Ca 0.09 -0.29 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 2qss n PHE 84 Cb 0.08 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 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 3.18 0.21 -0.42 4.37 0.00 -1.27 0.57 119.26 125.90 2qss h ALA 85 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qss h ALA 85 Cb 0.79 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2qss h ALA 85 CO 0.00 -0.42 0.18 0.00 0.00 0.00 0.00 179.25 179.00 2qss h ALA 86 N 1.21 0.55 -0.12 0.00 0.00 -1.82 -2.63 119.26 116.45 2qss h ALA 86 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2qss h ALA 86 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2qss h ALA 86 CO -0.20 0.14 -0.20 -0.07 0.00 0.00 0.00 179.25 178.92 2qss h LEU 87 N 0.54 0.20 0.26 0.00 3.38 -1.69 -2.41 115.31 115.58 2qss h LEU 87 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qss h LEU 87 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qss h LEU 87 CO -0.01 0.41 -0.17 -1.28 0.09 0.00 0.00 178.44 177.48 2qss h SER 88 N 0.19 -0.42 -0.74 -0.43 0.87 0.41 0.15 113.55 113.57 2qss h SER 88 Ca 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2qss h SER 88 Cb 0.47 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 2qss h SER 88 CO 0.03 -0.27 0.47 -0.08 -0.53 0.00 0.00 176.83 176.45 2qss h GLU 89 N -0.42 0.99 -0.04 2.24 4.57 -1.34 0.93 114.58 121.51 2qss h GLU 89 Ca -0.02 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2qss h GLU 89 Cb 0.35 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2qss h GLU 89 CO 0.02 0.68 -0.09 1.25 -1.18 0.00 0.00 179.01 179.69 2qss h LEU 90 N 1.01 -0.28 -0.13 1.64 5.85 -1.15 0.11 115.31 122.36 2qss h LEU 90 Ca 0.27 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2qss h LEU 90 Cb -0.08 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2qss h LEU 90 CO -0.05 -0.13 -0.12 0.45 -0.34 0.00 0.00 178.44 178.24 2qss h HIS 91 N -0.14 0.38 0.15 1.25 3.86 -0.66 0.30 115.15 120.29 2qss h HIS 91 Ca 0.05 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2qss h HIS 91 Cb 0.21 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2qss h HIS 91 CO -0.18 0.71 -0.07 0.00 0.86 0.00 0.00 177.93 179.25 2qss h ASP 93 N -0.94 0.34 0.06 0.00 3.45 -0.93 -3.03 116.42 115.37 2qss h ASP 93 Ca -0.02 -0.50 -0.35 0.00 0.43 0.00 0.00 57.03 56.59 2qss h ASP 93 Cb 0.47 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 39.10 2qss h ASP 93 CO 0.03 1.42 -1.96 0.29 -1.57 0.00 0.00 179.24 177.45 2qss n LYS 94 N -3.41 0.68 0.02 3.56 5.02 -0.93 -4.53 118.16 118.56 2qss n LYS 94 Ca -0.17 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 2qss n LYS 94 Cb 1.04 -1.66 0.17 0.00 -0.02 0.00 0.00 35.03 34.55 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 -3.11 -0.35 4.77 0.05 -4.98 117.00 110.22 2qss n LEU 95 Ca -0.37 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.40 2qss n LEU 95 Cb 0.93 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.88 2qss n LEU 95 CO 0.30 0.08 0.08 1.41 -1.33 0.00 0.00 177.39 177.94 2qss n HIS 96 N -1.71 -2.21 -3.00 -1.77 8.25 -0.63 -4.96 115.22 109.18 2qss n HIS 96 Ca 0.04 0.67 -0.41 0.00 -0.26 0.00 0.00 57.72 57.77 2qss n HIS 96 Cb 0.37 -4.58 -0.05 0.00 1.12 0.00 0.00 29.99 26.86 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 -3.21 4.95 0.20 1.59 1.01 -0.58 -5.02 120.40 119.34 2qss s VAL 97 Ca 0.39 1.42 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 2qss s VAL 97 Cb -0.17 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2qss s VAL 97 CO 0.48 0.08 1.43 -0.62 0.00 0.00 0.00 175.10 176.47 2qss s ASP 98 N 1.15 6.72 0.64 3.32 -1.08 -1.26 -4.59 116.67 121.57 2qss s ASP 98 Ca 0.34 2.54 0.35 0.00 -0.52 0.00 0.00 52.55 55.26 2qss s ASP 98 Cb -0.16 -2.61 1.98 0.00 -1.46 0.00 0.00 42.92 40.67 2qss s ASP 98 CO 0.12 -0.68 2.19 -0.65 0.52 0.00 0.00 175.17 176.67 2qss h PRO 99 N 5.79 0.00 -0.80 4.34 0.11 -1.97 -0.59 132.00 138.88 2qss h PRO 99 Ca -0.44 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.83 2qss h PRO 99 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2qss h PRO 99 CO 0.82 0.00 0.53 1.49 -0.21 0.00 0.00 178.00 180.63 2qss h GLU 100 N 0.00 0.44 0.00 1.05 4.57 -1.99 -1.48 114.58 117.17 2qss h GLU 100 Ca 0.02 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2qss h GLU 100 Cb 0.27 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2qss h GLU 100 CO -0.00 0.29 -0.19 -0.91 -1.18 0.00 0.00 179.01 177.02 2qss h ASN 101 N 0.45 0.00 -0.52 1.04 2.35 -1.47 -1.85 115.58 115.57 2qss h ASN 101 Ca 0.40 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.09 2qss h ASN 101 Cb 0.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2qss h ASN 101 CO -0.14 0.19 0.10 -0.26 -1.65 0.00 0.00 177.43 175.67 2qss h PHE 102 N 0.00 0.96 -0.36 1.19 0.04 -1.43 -0.56 116.94 116.77 2qss h PHE 102 Ca -0.00 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 2qss h PHE 102 Cb 0.45 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2qss h PHE 102 CO 0.00 0.82 0.01 0.87 -0.60 0.00 0.00 178.31 179.41 2qss h LYS 103 N 0.87 0.64 -0.17 1.51 1.57 -1.42 -1.91 116.57 117.65 2qss h LYS 103 Ca 0.18 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2qss h LYS 103 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2qss h LYS 103 CO 0.01 0.74 0.06 -0.07 -0.57 0.00 0.00 179.45 179.61 2qss h LEU 104 N 0.46 0.07 -0.59 2.94 3.38 -1.10 -1.05 115.31 119.42 2qss h LEU 104 Ca 0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2qss h LEU 104 Cb 0.44 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2qss h LEU 104 CO 0.02 0.07 0.30 0.25 0.09 0.00 0.00 178.44 179.16 2qss h LEU 105 N 0.14 0.76 -0.69 1.67 5.85 -1.07 0.17 115.31 122.14 2qss h LEU 105 Ca 0.07 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2qss h LEU 105 Cb 0.04 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2qss h LEU 105 CO -0.07 0.66 0.40 1.23 -0.34 0.00 0.00 178.44 180.32 2qss h GLY 106 N 0.80 1.01 1.18 3.75 0.00 -1.09 0.13 103.07 108.86 2qss h GLY 106 Ca 0.20 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2qss h GLY 106 CO -0.03 0.20 -0.38 3.43 0.00 0.00 0.00 176.54 179.76 2qss h ASN 107 N 0.76 0.96 -0.57 0.19 -0.26 -0.80 -1.56 115.58 114.30 2qss h ASN 107 Ca 0.30 -0.43 0.03 0.00 -0.56 0.00 0.00 56.30 55.63 2qss h ASN 107 Cb 0.14 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 2qss h ASN 107 CO -0.16 1.22 0.34 0.58 -1.06 0.00 0.00 177.43 178.35 2qss h VAL 108 N 0.74 1.05 -0.62 2.81 2.07 -0.29 -0.95 116.25 121.06 2qss h VAL 108 Ca 0.06 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.43 2qss h VAL 108 Cb 0.97 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2qss h VAL 108 CO 0.09 0.12 0.29 0.25 0.02 0.00 0.00 177.57 178.34 2qss h LEU 109 N 0.66 0.37 -0.68 2.57 5.85 -0.47 0.77 115.31 124.38 2qss h LEU 109 Ca 0.23 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2qss h LEU 109 Cb 0.04 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2qss h LEU 109 CO -0.11 0.23 0.40 0.58 -0.34 0.00 0.00 178.44 179.19 2qss h VAL 110 N 0.52 1.20 -0.44 1.05 2.07 -0.71 0.99 116.25 120.94 2qss h VAL 110 Ca 0.30 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2qss h VAL 110 Cb 0.30 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2qss h VAL 110 CO -0.25 0.21 0.28 0.58 0.02 0.00 0.00 177.57 178.42 2qss h VAL 111 N 0.92 1.09 -0.51 2.57 2.07 -0.16 -0.38 116.25 121.85 2qss h VAL 111 Ca 0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2qss h VAL 111 Cb -0.01 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2qss h VAL 111 CO -0.04 0.10 0.33 0.58 0.02 0.00 0.00 177.57 178.56 2qss h VAL 112 N 0.57 1.14 -0.60 2.57 2.07 -0.31 0.01 116.25 121.70 2qss h VAL 112 Ca 0.16 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2qss h VAL 112 Cb -0.05 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2qss h VAL 112 CO -0.05 0.13 0.38 -0.07 0.02 0.00 0.00 177.57 177.99 2qss h LEU 113 N 0.69 0.63 -0.89 2.57 3.38 -0.44 -0.13 115.31 121.12 2qss h LEU 113 Ca 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2qss h LEU 113 Cb -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2qss h LEU 113 CO -0.04 0.45 0.52 0.00 0.09 0.00 0.00 178.44 179.46 2qss h ALA 114 N 1.25 1.14 -0.48 1.53 0.00 -0.73 -0.20 119.26 121.77 2qss h ALA 114 Ca 0.24 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2qss h ALA 114 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2qss h ALA 114 CO -0.08 0.61 -0.18 -0.09 0.00 0.00 0.00 179.25 179.51 2qss h ARG 115 N 1.23 0.95 0.00 0.00 2.43 -0.31 -3.17 114.38 115.51 2qss h ARG 115 Ca 0.32 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2qss h ARG 115 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2qss h ARG 115 CO -0.06 1.05 -0.69 -0.91 -1.51 0.00 0.00 179.97 177.85 2qss h ASN 116 N 0.83 0.00 -0.05 -3.80 2.35 -0.75 -3.40 115.58 110.76 2qss h ASN 116 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2qss h ASN 116 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2qss h ASN 116 CO 0.06 0.59 0.00 0.49 -1.65 0.00 0.00 177.43 176.91 2qss n PHE 117 N -3.20 0.06 -4.32 1.19 3.01 -0.11 -5.08 117.46 109.01 2qss n PHE 117 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.16 2qss n PHE 117 Cb 0.78 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 2qss n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qss n GLY 118 N -0.12 1.56 0.26 1.37 0.00 -1.20 -3.42 105.19 103.63 2qss n GLY 118 Ca 0.02 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.98 -1.69 116.57 116.61 2qss h LYS 119 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2qss h LYS 119 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qss h LYS 119 CO 0.00 0.12 -0.06 0.93 -2.00 0.00 0.00 179.45 178.44 2qss h GLU 120 N 0.00 0.00 -4.53 0.07 5.08 -2.00 -3.31 114.58 109.88 2qss h GLU 120 Ca -0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 2qss h GLU 120 Cb 0.36 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 2qss h GLU 120 CO 0.02 0.06 2.31 0.34 -1.00 0.00 0.00 179.01 180.73 2qss n PHE 121 N -3.54 3.98 -1.65 4.33 7.35 -0.64 -4.89 117.46 122.41 2qss n PHE 121 Ca -0.02 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.40 2qss n PHE 121 Cb 0.17 -2.38 0.08 0.00 0.35 0.00 0.00 39.48 37.71 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 2.55 3.06 0.33 -2.13 -4.23 -1.25 -4.67 115.64 109.29 2qss s THR 122 Ca 0.46 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 2qss s THR 122 Cb 0.07 -3.16 0.31 0.00 1.34 0.00 0.00 72.50 71.06 2qss s THR 122 CO -0.01 -0.45 1.81 -0.65 -0.54 0.00 0.00 174.62 174.79 2qss h PRO 123 N -1.00 0.72 -0.17 3.99 0.11 -1.93 0.20 132.00 133.92 2qss h PRO 123 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2qss h PRO 123 Cb 1.27 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qss h PRO 123 CO 0.61 0.47 -0.05 0.28 -0.21 0.00 0.00 178.00 179.10 2qss h VAL 124 N 0.74 1.30 -0.48 3.15 2.07 -1.98 -1.13 116.25 119.92 2qss h VAL 124 Ca 0.53 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 2qss h VAL 124 Cb 0.85 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2qss h VAL 124 CO -0.30 0.31 0.00 0.25 0.02 0.00 0.00 177.57 177.85 2qss h LEU 125 N 0.02 0.83 -0.98 2.57 5.85 -1.79 -2.08 115.31 119.73 2qss h LEU 125 Ca 0.04 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2qss h LEU 125 Cb 0.50 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2qss h LEU 125 CO 0.02 0.93 0.64 -0.61 -0.34 0.00 0.00 178.44 179.08 2qss h GLN 126 N 0.70 1.17 -0.42 1.25 4.15 -0.58 -1.23 115.11 120.16 2qss h GLN 126 Ca 0.14 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2qss h GLN 126 Cb 0.51 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2qss h GLN 126 CO 0.02 0.77 -0.01 0.00 -1.93 0.00 0.00 178.83 177.69 2qss h ALA 127 N 1.42 1.21 -0.52 3.38 0.00 -0.74 0.10 119.26 124.11 2qss h ALA 127 Ca 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qss h ALA 127 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2qss h ALA 127 CO -0.14 0.52 0.21 -0.44 0.00 0.00 0.00 179.25 179.40 2qss h ASP 128 N 0.64 0.73 0.07 0.00 3.32 -0.74 -2.08 116.42 118.35 2qss h ASP 128 Ca 0.13 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2qss h ASP 128 Cb 0.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2qss h ASP 128 CO 0.02 0.70 -0.17 -0.26 -1.72 0.00 0.00 179.24 177.80 2qss h PHE 129 N 0.71 0.22 -0.94 4.55 0.04 -0.29 -1.87 116.94 119.36 2qss h PHE 129 Ca 0.17 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2qss h PHE 129 Cb 0.20 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2qss h PHE 129 CO 0.01 0.38 0.57 1.96 -0.60 0.00 0.00 178.31 180.62 2qss h GLN 130 N 0.20 1.28 -0.66 1.51 1.08 -0.32 -0.02 115.11 118.18 2qss h GLN 130 Ca 0.04 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 2qss h GLN 130 Cb 0.42 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2qss h GLN 130 CO 0.03 0.89 0.26 0.87 -0.95 0.00 0.00 178.83 179.93 2qss h LYS 131 N 1.30 0.98 0.15 1.46 1.57 -0.71 -0.55 116.57 120.78 2qss h LYS 131 Ca 0.34 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2qss h LYS 131 Cb -0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2qss h LYS 131 CO -0.06 0.83 -0.07 0.28 -0.57 0.00 0.00 179.45 179.85 2qss h VAL 132 N 0.93 0.93 -0.17 0.50 2.07 -0.77 -0.64 116.25 119.11 2qss h VAL 132 Ca 0.22 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 2qss h VAL 132 Cb 0.21 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2qss h VAL 132 CO -0.02 0.09 -0.27 -0.37 0.02 0.00 0.00 177.57 177.01 2qss h VAL 133 N -0.37 1.26 -0.68 2.57 -1.51 -0.99 0.44 116.25 116.96 2qss h VAL 133 Ca -0.02 -1.22 -0.05 0.00 -1.23 0.00 0.00 66.70 64.17 2qss h VAL 133 Cb 0.30 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 2qss h VAL 133 CO 0.03 0.38 0.21 0.00 -1.23 0.00 0.00 177.57 176.96 2qss h ALA 134 N 1.44 1.09 -0.21 5.19 0.00 -0.95 0.30 119.26 126.13 2qss h ALA 134 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qss h ALA 134 Cb 0.64 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qss h ALA 134 CO 0.05 0.62 0.02 0.78 0.00 0.00 0.00 179.25 180.72 2qss h GLY 135 N 1.07 0.38 0.95 0.00 0.00 -0.30 -0.85 103.07 104.32 2qss h GLY 135 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2qss h GLY 135 CO -0.01 0.24 0.19 -2.08 0.00 0.00 0.00 176.54 174.89 2qss h VAL 136 N 0.13 1.05 -0.76 4.60 2.07 -0.74 -1.20 116.25 121.39 2qss h VAL 136 Ca 0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2qss h VAL 136 Cb 0.35 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2qss h VAL 136 CO 0.01 0.07 0.38 0.00 0.02 0.00 0.00 177.57 178.05 2qss h ALA 137 N 1.13 0.98 -0.67 1.67 0.00 -0.83 -1.03 119.26 120.51 2qss h ALA 137 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qss h ALA 137 Cb -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2qss h ALA 137 CO -0.05 0.53 0.31 -0.97 0.00 0.00 0.00 179.25 179.07 2qss h ASN 138 N 1.07 0.89 -0.79 0.00 -0.73 -0.99 -1.15 115.58 113.87 2qss h ASN 138 Ca 0.26 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 2qss h ASN 138 Cb 0.10 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.42 2qss h ASN 138 CO -0.04 0.78 0.31 0.00 -0.37 0.00 0.00 177.43 178.12 2qss h ALA 139 N 1.14 1.06 -0.17 1.57 0.00 -0.88 -1.76 119.26 120.22 2qss h ALA 139 Ca 0.23 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2qss h ALA 139 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qss h ALA 139 CO -0.03 0.67 -0.57 -0.07 0.00 0.00 0.00 179.25 179.25 2qss h LEU 140 N 1.15 0.60 -0.51 0.00 3.38 -1.04 -2.99 115.31 115.90 2qss h LEU 140 Ca 0.26 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qss h LEU 140 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qss h LEU 140 CO -0.02 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.55 2qss h ALA 141 N 0.97 1.00 -0.93 1.53 0.00 -1.01 -3.39 119.26 117.43 2qss h ALA 141 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.19 2qss h ALA 141 Cb 1.11 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2qss h ALA 141 CO 0.11 0.00 0.32 1.25 0.00 0.00 0.00 179.25 180.92 2qss h HIS 142 N 0.00 0.49 0.00 0.00 6.17 -1.17 0.25 115.15 120.89 2qss h HIS 142 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2qss h HIS 142 Cb 0.53 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.39 2qss h HIS 142 CO 0.00 -0.24 0.00 0.54 0.71 0.00 0.00 177.93 178.94 2qss n ARG 143 N -5.21 0.48 0.03 5.26 5.12 -1.26 -0.03 116.66 121.04 2qss n ARG 143 Ca 0.25 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.16 2qss n ARG 143 Cb 0.80 -1.16 -0.09 0.00 -1.16 0.00 0.00 32.46 30.85 2qss n ARG 143 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 2qss h TYR 144 N 0.00 0.00 -0.01 -1.55 -0.00 -0.81 -3.48 116.97 111.12 2qss h TYR 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2qss h TYR 144 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2qss h TYR 144 CO 0.00 0.66 0.00 0.72 -0.00 0.00 0.00 178.16 179.54