#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsp s LEU 2 N 0.00 3.40 0.76 -0.89 1.02 -1.26 -5.09 118.68 116.62 2qsp s LEU 2 Ca 0.00 0.18 -0.13 0.00 0.02 0.00 0.00 54.13 54.20 2qsp s LEU 2 Cb 0.00 -3.05 0.05 0.00 0.02 0.00 0.00 46.19 43.22 2qsp s LEU 2 CO 0.00 -0.98 1.14 0.42 0.02 0.00 0.00 176.35 176.95 2qsp s THR 3 N -2.72 2.74 0.29 5.49 -4.23 -1.26 -4.77 115.64 111.18 2qsp s THR 3 Ca 0.53 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.38 2qsp s THR 3 Cb -0.10 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.28 2qsp s THR 3 CO 0.39 -0.25 1.74 0.00 -0.54 0.00 0.00 174.62 175.95 2qsp h ALA 4 N -0.70 1.48 -0.10 3.99 0.00 -1.99 0.17 119.26 122.11 2qsp h ALA 4 Ca -0.46 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2qsp h ALA 4 Cb 1.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qsp h ALA 4 CO 0.50 -0.19 -0.72 1.49 0.00 0.00 0.00 179.25 180.33 2qsp h GLU 5 N 0.57 0.50 -0.71 0.00 4.81 -2.00 -1.88 114.58 115.87 2qsp h GLU 5 Ca 0.54 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2qsp h GLU 5 Cb 0.92 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2qsp h GLU 5 CO -0.44 1.02 0.43 0.93 -0.73 0.00 0.00 179.01 180.23 2qsp h GLU 6 N 0.34 0.81 -0.88 1.92 5.08 -1.73 -1.17 114.58 118.95 2qsp h GLU 6 Ca -0.03 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2qsp h GLU 6 Cb 1.30 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2qsp h GLU 6 CO 0.13 0.53 0.57 0.87 -1.00 0.00 0.00 179.01 180.11 2qsp h LYS 7 N 0.83 1.07 -0.54 2.33 1.57 -0.53 -0.72 116.57 120.58 2qsp h LYS 7 Ca 0.30 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2qsp h LYS 7 Cb 0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2qsp h LYS 7 CO -0.13 0.71 0.25 0.00 -0.57 0.00 0.00 179.45 179.70 2qsp h ALA 8 N 1.36 0.70 -0.36 3.86 0.00 -0.66 -0.58 119.26 123.59 2qsp h ALA 8 Ca 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qsp h ALA 8 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qsp h ALA 8 CO -0.12 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.58 2qsp h ALA 9 N 1.09 0.47 -0.32 0.00 0.00 -0.71 -1.71 119.26 118.07 2qsp h ALA 9 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2qsp h ALA 9 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qsp h ALA 9 CO -0.02 0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 2qsp h VAL 10 N 0.45 1.27 -0.05 0.00 2.07 -1.01 -2.29 116.25 116.69 2qsp h VAL 10 Ca 0.12 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2qsp h VAL 10 Cb 0.14 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2qsp h VAL 10 CO -0.01 0.33 -0.10 0.74 0.02 0.00 0.00 177.57 178.54 2qsp h THR 11 N 0.38 0.73 -0.52 2.57 2.02 -0.98 0.11 112.91 117.22 2qsp h THR 11 Ca 0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 2qsp h THR 11 Cb 0.48 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 2qsp h THR 11 CO 0.02 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.99 2qsp h ALA 12 N 0.87 0.57 -0.30 6.16 0.00 -1.29 -2.84 119.26 122.43 2qsp h ALA 12 Ca 0.06 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2qsp h ALA 12 Cb 0.22 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qsp h ALA 12 CO -0.14 -0.33 -0.36 0.35 0.00 0.00 0.00 179.25 178.77 2qsp h PHE 13 N 0.21 0.95 -0.33 0.00 3.04 -0.99 -3.16 116.94 116.66 2qsp h PHE 13 Ca 0.26 -0.30 0.08 0.00 3.98 0.00 0.00 57.97 62.00 2qsp h PHE 13 Cb 0.38 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2qsp h PHE 13 CO -0.25 1.08 0.24 2.35 -2.02 0.00 0.00 178.31 179.71 2qsp h TRP 14 N 0.54 0.07 -0.52 0.41 2.91 -0.63 -1.75 115.95 116.98 2qsp h TRP 14 Ca 0.04 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.21 2qsp h TRP 14 Cb 0.95 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 2qsp h TRP 14 CO 0.07 0.04 0.40 0.78 -1.03 0.00 0.00 178.44 178.70 2qsp h GLY 15 N 0.07 0.00 1.80 2.65 0.00 -1.46 -0.40 103.07 105.73 2qsp h GLY 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2qsp h GLY 15 CO -0.01 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 176.84 2qsp h LYS 16 N 0.00 0.00 -6.28 4.80 1.57 -1.49 -3.45 116.57 111.72 2qsp h LYS 16 Ca 0.25 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.48 2qsp h LYS 16 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2qsp h LYS 16 CO -0.00 0.00 1.12 0.08 -0.57 0.00 0.00 179.45 180.08 2qsp s VAL 17 N -3.20 3.47 -0.20 0.50 1.01 -0.16 -4.93 120.40 116.89 2qsp s VAL 17 Ca 0.07 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 2qsp s VAL 17 Cb 0.08 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2qsp s VAL 17 CO 0.67 -0.06 1.51 -0.54 0.00 0.00 0.00 175.10 176.68 2qsp s LYS 18 N 4.18 3.95 0.63 2.72 -0.14 -1.26 -4.90 119.74 124.92 2qsp s LYS 18 Ca 0.77 1.68 0.36 0.00 -1.36 0.00 0.00 55.97 57.42 2qsp s LYS 18 Cb -0.35 -3.96 2.07 0.00 -1.68 0.00 0.00 37.83 33.92 2qsp s LYS 18 CO 0.32 -1.09 2.28 -0.39 -0.76 0.00 0.00 175.35 175.70 2qsp h VAL 19 N 5.91 0.26 -0.11 3.17 -1.51 -1.96 -3.11 116.25 118.90 2qsp h VAL 19 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2qsp h VAL 19 Cb 1.14 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2qsp h VAL 19 CO 0.99 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.43 2qsp n ASP 20 N -3.45 2.08 -0.07 4.19 3.85 -1.26 -4.75 116.55 117.14 2qsp n ASP 20 Ca -0.02 -1.69 -0.15 0.00 -0.71 0.00 0.00 54.79 52.22 2qsp n ASP 20 Cb 0.12 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 39.77 2qsp n ASP 20 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2qsp n GLU 21 N 0.16 0.36 -0.23 0.11 0.00 -1.18 -4.69 120.64 115.18 2qsp n GLU 21 Ca 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 57.16 57.36 2qsp n GLU 21 Cb 0.26 -1.12 0.11 0.00 0.00 0.00 0.00 31.44 30.69 2qsp n GLU 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2qsp h VAL 22 N -0.64 0.92 -0.46 6.31 2.07 -1.86 -1.26 116.25 121.34 2qsp h VAL 22 Ca -0.30 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qsp h VAL 22 Cb 1.15 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2qsp h VAL 22 CO -0.18 0.12 0.28 1.23 0.02 0.00 0.00 177.57 179.03 2qsp h GLY 23 N 0.64 0.67 1.40 2.17 0.00 -1.85 0.39 103.07 106.48 2qsp h GLY 23 Ca 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 2qsp h GLY 23 CO -0.21 0.27 0.06 -1.33 0.00 0.00 0.00 176.54 175.33 2qsp h GLY 24 N 0.62 0.80 0.65 4.60 0.00 -1.56 0.52 103.07 108.71 2qsp h GLY 24 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2qsp h GLY 24 CO -0.03 0.45 -0.09 -2.09 0.00 0.00 0.00 176.54 174.79 2qsp h GLU 25 N 0.71 0.22 -0.14 4.80 4.81 -0.94 -0.60 114.58 123.44 2qsp h GLU 25 Ca 0.15 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2qsp h GLU 25 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2qsp h GLU 25 CO 0.01 0.64 0.05 0.00 -0.73 0.00 0.00 179.01 178.98 2qsp h ALA 26 N 0.57 0.15 -0.44 2.92 0.00 -0.74 0.13 119.26 121.85 2qsp h ALA 26 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qsp h ALA 26 Cb 0.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qsp h ALA 26 CO 0.02 -0.39 0.23 1.25 0.00 0.00 0.00 179.25 180.36 2qsp h LEU 27 N 0.12 0.56 -0.27 0.00 6.46 -0.94 0.33 115.31 121.57 2qsp h LEU 27 Ca 0.06 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2qsp h LEU 27 Cb 0.02 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2qsp h LEU 27 CO -0.05 0.50 0.13 1.23 -0.62 0.00 0.00 178.44 179.63 2qsp h GLY 28 N 0.57 0.36 1.05 3.75 0.00 -1.02 -2.34 103.07 105.43 2qsp h GLY 28 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2qsp h GLY 28 CO -0.02 0.08 0.45 3.21 0.00 0.00 0.00 176.54 180.26 2qsp h ARG 29 N 0.28 1.24 -0.47 4.80 3.08 -0.43 -1.75 114.38 121.14 2qsp h ARG 29 Ca 0.11 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2qsp h ARG 29 Cb 0.03 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 29.78 2qsp h ARG 29 CO -0.07 0.93 0.06 1.25 -1.07 0.00 0.00 179.97 181.06 2qsp h LEU 30 N 1.24 -0.08 -0.86 3.04 5.85 -0.56 0.67 115.31 124.61 2qsp h LEU 30 Ca 0.30 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 2qsp h LEU 30 Cb 0.07 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2qsp h LEU 30 CO -0.04 -0.01 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.54 2qsp h LEU 31 N 0.18 0.30 0.01 2.25 3.38 -1.04 0.10 115.31 120.49 2qsp h LEU 31 Ca 0.23 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2qsp h LEU 31 Cb 0.32 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2qsp h LEU 31 CO -0.34 0.71 -0.27 0.58 0.09 0.00 0.00 178.44 179.21 2qsp h VAL 32 N 0.24 1.56 -0.02 1.22 2.07 -1.05 -3.23 116.25 117.03 2qsp h VAL 32 Ca 0.02 -2.01 -0.22 0.00 0.82 0.00 0.00 66.70 65.31 2qsp h VAL 32 Cb 0.87 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2qsp h VAL 32 CO 0.07 0.55 -0.90 0.58 0.02 0.00 0.00 177.57 177.89 2qsp h VAL 33 N -0.51 1.38 -2.78 2.57 2.07 -0.90 -3.38 116.25 114.70 2qsp h VAL 33 Ca -0.04 -2.35 -0.61 0.00 0.82 0.00 0.00 66.70 64.53 2qsp h VAL 33 Cb 1.05 2.33 -0.41 0.00 -1.52 0.00 0.00 31.29 32.74 2qsp h VAL 33 CO 0.05 0.71 -0.67 -1.22 0.02 0.00 0.00 177.57 176.46 2qsp n TYR 34 N -3.78 2.35 0.30 1.57 4.01 0.02 -4.99 117.16 116.64 2qsp n TYR 34 Ca -0.07 -4.07 0.17 0.00 -0.16 0.00 0.00 57.90 53.77 2qsp n TYR 34 Cb 0.81 -0.43 0.94 0.00 -0.31 0.00 0.00 39.34 40.35 2qsp n TYR 34 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2qsp h PRO 35 N 5.22 0.00 -0.01 -0.72 0.11 -1.74 -1.48 132.00 133.37 2qsp h PRO 35 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qsp h PRO 35 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2qsp h PRO 35 CO 0.66 0.03 0.02 0.11 -0.21 0.00 0.00 178.00 178.61 2qsp h TRP 36 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.39 115.95 113.38 2qsp h TRP 36 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2qsp h TRP 36 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.37 2qsp h TRP 36 CO 0.00 0.00 -0.01 1.79 0.09 0.00 0.00 178.44 180.31 2qsp h THR 37 N 0.00 0.03 -0.16 0.12 1.35 -1.58 -2.29 112.91 110.37 2qsp h THR 37 Ca 0.01 -0.47 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 2qsp h THR 37 Cb 0.05 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2qsp h THR 37 CO -0.00 0.01 0.21 1.56 -0.25 0.00 0.00 175.52 177.05 2qsp h GLN 38 N 0.00 0.00 -0.08 4.72 4.20 -1.45 -2.48 115.11 120.02 2qsp h GLN 38 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2qsp h GLN 38 Cb 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 2qsp h GLN 38 CO 0.00 0.00 0.06 -0.09 -0.67 0.00 0.00 178.83 178.13 2qsp h ARG 39 N 0.00 0.00 0.00 1.46 2.43 -1.60 -1.78 114.38 114.89 2qsp h ARG 39 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2qsp h ARG 39 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2qsp h ARG 39 CO -0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 2qsp n PHE 40 N -4.32 0.00 -2.43 2.20 3.01 -0.94 -4.10 117.46 110.88 2qsp n PHE 40 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 2qsp n PHE 40 Cb 0.17 -0.50 0.04 0.00 -0.01 0.00 0.00 39.48 39.18 2qsp n PHE 40 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2qsp n PHE 41 N -1.50 1.93 0.06 1.38 3.72 -0.67 -4.85 117.46 117.54 2qsp n PHE 41 Ca 0.06 -2.15 0.13 0.00 -0.05 0.00 0.00 57.45 55.44 2qsp n PHE 41 Cb 0.30 -0.28 0.60 0.00 -0.94 0.00 0.00 39.48 39.16 2qsp n PHE 41 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2qsp h GLU 42 N 2.36 0.15 0.00 -1.08 5.08 -1.71 -1.65 114.58 117.74 2qsp h GLU 42 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qsp h GLU 42 Cb 1.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2qsp h GLU 42 CO 0.45 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 177.43 2qsp n SER 43 N -4.46 0.00 -0.27 1.42 3.41 -1.26 -4.11 113.62 108.34 2qsp n SER 43 Ca 0.05 -0.49 0.13 0.00 -0.26 0.00 0.00 58.87 58.30 2qsp n SER 43 Cb 0.33 -0.16 0.61 0.00 -0.26 0.00 0.00 64.21 64.73 2qsp n SER 43 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qsp n PHE 44 N -1.16 0.05 -2.22 7.33 3.01 -0.62 -5.02 117.46 118.83 2qsp n PHE 44 Ca 0.18 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2qsp n PHE 44 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2qsp n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qsp n GLY 45 N 1.04 -0.31 3.62 1.37 0.00 -1.26 -4.76 105.19 104.89 2qsp n GLY 45 Ca 0.19 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2qsp n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qsp s ASP 46 N -4.00 6.35 -0.15 1.61 2.15 -1.26 -4.85 116.67 116.52 2qsp s ASP 46 Ca 0.00 1.27 0.18 0.00 0.43 0.00 0.00 52.55 54.43 2qsp s ASP 46 Cb 0.00 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 2qsp s ASP 46 CO 0.00 -1.34 1.24 0.18 -0.17 0.00 0.00 175.17 175.08 2qsp n LEU 47 N 8.66 2.84 0.15 -1.34 4.77 -1.26 -4.13 117.00 126.69 2qsp n LEU 47 Ca 0.18 -3.15 0.13 0.00 -0.03 0.00 0.00 56.01 53.14 2qsp n LEU 47 Cb 0.46 -0.47 0.31 0.00 -2.33 0.00 0.00 43.42 41.39 2qsp n LEU 47 CO 0.66 0.76 0.83 0.77 -1.33 0.00 0.00 177.39 179.09 2qsp h SER 48 N 0.57 0.00 -4.75 -1.43 4.64 -1.92 -3.43 113.55 107.23 2qsp h SER 48 Ca 0.01 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2qsp h SER 48 Cb 1.14 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 2qsp h SER 48 CO 0.07 0.00 -0.67 0.42 -0.87 0.00 0.00 176.83 175.78 2qsp s THR 49 N -3.15 0.55 0.22 2.95 -4.23 -1.26 -5.03 115.64 105.69 2qsp s THR 49 Ca 0.09 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.58 2qsp s THR 49 Cb 0.10 -1.92 0.18 0.00 1.34 0.00 0.00 72.50 72.19 2qsp s THR 49 CO 0.63 -0.64 1.83 0.00 -0.54 0.00 0.00 174.62 175.90 2qsp h ALA 50 N 2.84 1.02 -0.52 3.99 0.00 -1.98 -1.43 119.26 123.18 2qsp h ALA 50 Ca -0.36 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2qsp h ALA 50 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2qsp h ALA 50 CO 0.63 0.16 0.00 -0.44 0.00 0.00 0.00 179.25 179.61 2qsp h ASP 51 N 0.83 0.91 -0.61 0.00 3.32 -1.97 -1.37 116.42 117.52 2qsp h ASP 51 Ca 0.33 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2qsp h ASP 51 Cb 0.17 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2qsp h ASP 51 CO -0.17 0.99 0.35 0.00 -1.72 0.00 0.00 179.24 178.69 2qsp h ALA 52 N 0.95 0.80 0.43 3.45 0.00 -1.79 -0.62 119.26 122.47 2qsp h ALA 52 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qsp h ALA 52 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qsp h ALA 52 CO 0.03 0.05 -0.21 0.28 0.00 0.00 0.00 179.25 179.40 2qsp h VAL 53 N 0.67 0.58 -0.04 0.00 2.07 -0.96 -2.14 116.25 116.43 2qsp h VAL 53 Ca 0.26 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2qsp h VAL 53 Cb 0.10 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qsp h VAL 53 CO -0.14 0.03 -0.20 0.24 0.02 0.00 0.00 177.57 177.52 2qsp h MET 54 N -0.65 0.07 -0.40 1.57 2.07 -1.06 -2.47 114.93 114.05 2qsp h MET 54 Ca -0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2qsp h MET 54 Cb 0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2qsp h MET 54 CO 0.10 0.27 0.00 0.09 1.07 0.00 0.00 176.91 178.43 2qsp n ASN 55 N -4.27 3.40 -4.65 1.22 3.02 -0.26 -4.85 115.26 108.88 2qsp n ASN 55 Ca -0.02 -1.98 -0.43 0.00 -0.03 0.00 0.00 54.58 52.12 2qsp n ASN 55 Cb 0.28 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2qsp n ASN 55 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qsp s ASN 56 N -1.46 6.77 0.43 6.41 3.84 -0.81 -4.91 114.94 125.21 2qsp s ASN 56 Ca 0.39 1.66 0.13 0.00 0.21 0.00 0.00 52.86 55.25 2qsp s ASN 56 Cb 0.23 -2.54 0.93 0.00 -0.55 0.00 0.00 41.25 39.32 2qsp s ASN 56 CO 0.32 -0.92 1.96 1.55 -2.79 0.00 0.00 177.10 177.21 2qsp h PRO 57 N 8.99 0.04 -0.14 0.43 0.13 -1.90 -1.60 132.00 137.94 2qsp h PRO 57 Ca -0.29 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 2qsp h PRO 57 Cb 1.12 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2qsp h PRO 57 CO 0.99 0.23 -0.34 0.87 -0.23 0.00 0.00 178.00 179.52 2qsp h LYS 58 N 0.03 0.29 0.11 0.86 1.57 -1.91 0.14 116.57 117.67 2qsp h LYS 58 Ca 0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2qsp h LYS 58 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2qsp h LYS 58 CO 0.03 0.60 -0.06 0.28 -0.57 0.00 0.00 179.45 179.73 2qsp h VAL 59 N 0.25 1.04 -0.21 0.50 2.07 -1.62 0.87 116.25 119.15 2qsp h VAL 59 Ca 0.03 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2qsp h VAL 59 Cb 0.73 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2qsp h VAL 59 CO 0.06 0.15 -0.28 0.11 0.02 0.00 0.00 177.57 177.63 2qsp h LYS 60 N -0.44 -0.30 -0.34 1.57 6.56 -1.29 0.48 116.57 122.81 2qsp h LYS 60 Ca -0.02 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2qsp h LYS 60 Cb 0.36 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 2qsp h LYS 60 CO 0.03 -0.20 0.22 0.00 -2.06 0.00 0.00 179.45 177.43 2qsp h ALA 61 N 0.64 0.43 -0.59 3.86 0.00 -0.72 -1.51 119.26 121.36 2qsp h ALA 61 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qsp h ALA 61 Cb 0.50 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2qsp h ALA 61 CO -0.38 -0.12 0.13 1.25 0.00 0.00 0.00 179.25 180.12 2qsp h HIS 62 N 0.44 0.97 -0.93 0.00 -0.00 -0.31 -2.75 115.15 112.57 2qsp h HIS 62 Ca 0.13 -0.10 0.06 0.00 -0.00 0.00 0.00 60.37 60.45 2qsp h HIS 62 Cb -0.04 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.03 2qsp h HIS 62 CO -0.06 0.81 0.59 0.78 -0.00 0.00 0.00 177.93 180.05 2qsp h GLY 63 N 1.02 1.40 0.89 5.26 0.00 0.19 -1.14 103.07 110.69 2qsp h GLY 63 Ca 0.19 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.11 2qsp h GLY 63 CO 0.00 0.31 0.51 1.70 0.00 0.00 0.00 176.54 179.07 2qsp h LYS 64 N 1.09 0.98 -0.63 4.80 3.64 -0.99 0.24 116.57 125.70 2qsp h LYS 64 Ca 0.40 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2qsp h LYS 64 Cb 0.15 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2qsp h LYS 64 CO -0.17 0.65 0.40 0.87 -2.27 0.00 0.00 179.45 178.93 2qsp h LYS 65 N 1.01 0.84 -0.26 1.90 1.57 -1.14 -0.18 116.57 120.31 2qsp h LYS 65 Ca 0.32 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2qsp h LYS 65 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2qsp h LYS 65 CO -0.11 0.58 0.12 0.28 -0.57 0.00 0.00 179.45 179.75 2qsp h VAL 66 N 0.85 1.15 -0.29 0.50 2.07 -0.56 -0.74 116.25 119.24 2qsp h VAL 66 Ca 0.23 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2qsp h VAL 66 Cb -0.07 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2qsp h VAL 66 CO -0.05 0.16 0.14 0.25 0.02 0.00 0.00 177.57 178.09 2qsp h LEU 67 N 0.29 0.39 -1.71 2.57 5.85 -0.78 -0.57 115.31 121.35 2qsp h LEU 67 Ca 0.09 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2qsp h LEU 67 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2qsp h LEU 67 CO -0.01 0.41 0.33 0.44 -0.34 0.00 0.00 178.44 179.27 2qsp h ASP 68 N 0.34 0.31 -0.34 1.25 3.32 -0.86 0.13 116.42 120.58 2qsp h ASP 68 Ca 0.10 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2qsp h ASP 68 Cb 0.13 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2qsp h ASP 68 CO -0.01 0.20 -0.25 -1.28 -1.72 0.00 0.00 179.24 176.18 2qsp h SER 69 N 0.35 0.80 -0.20 6.45 0.87 -0.11 -0.72 113.55 120.99 2qsp h SER 69 Ca 0.22 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2qsp h SER 69 Cb 0.42 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2qsp h SER 69 CO -0.05 1.07 0.11 -0.26 -0.53 0.00 0.00 176.83 177.17 2qsp h PHE 70 N 0.54 0.20 -0.88 2.24 0.04 -0.12 -1.92 116.94 117.03 2qsp h PHE 70 Ca 0.06 0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.99 2qsp h PHE 70 Cb 0.81 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.81 2qsp h PHE 70 CO 0.06 0.12 0.47 0.77 -0.60 0.00 0.00 178.31 179.13 2qsp h SER 71 N 0.22 0.58 0.36 2.17 0.02 -0.68 -0.13 113.55 116.10 2qsp h SER 71 Ca 0.08 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2qsp h SER 71 Cb 0.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2qsp h SER 71 CO -0.05 0.24 -0.17 -1.13 -1.14 0.00 0.00 176.83 174.59 2qsp h ASN 72 N 0.66 -0.40 -0.55 3.07 -1.24 -0.90 -3.09 115.58 113.13 2qsp h ASN 72 Ca 0.48 -0.03 0.08 0.00 0.71 0.00 0.00 56.30 57.55 2qsp h ASN 72 Cb 0.68 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.80 2qsp h ASN 72 CO -0.36 -0.24 0.37 1.23 -1.29 0.00 0.00 177.43 177.14 2qsp h GLY 73 N -0.54 0.56 1.55 1.57 0.00 -0.58 -0.83 103.07 104.80 2qsp h GLY 73 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2qsp h GLY 73 CO 0.08 0.12 0.21 -0.33 0.00 0.00 0.00 176.54 176.62 2qsp h MET 74 N 0.42 0.00 -0.01 4.80 2.86 -0.96 0.10 114.93 122.13 2qsp h MET 74 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2qsp h MET 74 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2qsp h MET 74 CO -0.07 0.00 -0.48 1.63 1.06 0.00 0.00 176.91 179.05 2qsp n LYS 75 N -3.14 0.97 -2.60 1.72 5.02 -0.32 -4.47 118.16 115.34 2qsp n LYS 75 Ca -0.01 -0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 55.43 2qsp n LYS 75 Cb 0.28 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2qsp n LYS 75 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qsp n HIS 76 N -0.35 1.74 0.13 2.13 8.25 0.33 -4.93 115.22 122.52 2qsp n HIS 76 Ca 0.09 -2.36 0.08 0.00 -0.26 0.00 0.00 57.72 55.27 2qsp n HIS 76 Cb 0.42 -0.27 0.56 0.00 1.12 0.00 0.00 29.99 31.83 2qsp n HIS 76 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qsp h LEU 77 N 2.59 0.18 -0.26 2.41 3.38 -1.72 0.17 115.31 122.07 2qsp h LEU 77 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qsp h LEU 77 Cb 1.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2qsp h LEU 77 CO 0.42 0.13 -0.07 0.47 0.09 0.00 0.00 178.44 179.48 2qsp n ASP 78 N -4.50 0.47 -3.23 -0.43 8.00 -1.26 -4.02 116.55 111.57 2qsp n ASP 78 Ca 0.01 -0.71 -0.24 0.00 0.71 0.00 0.00 54.79 54.55 2qsp n ASP 78 Cb 0.14 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 2qsp n ASP 78 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qsp n ASP 79 N -0.86 -0.20 0.03 -2.24 2.03 0.04 -4.76 116.55 110.59 2qsp n ASP 79 Ca 0.17 -2.61 -0.15 0.00 0.52 0.00 0.00 54.79 52.72 2qsp n ASP 79 Cb 0.25 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 2qsp n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qsp h LEU 80 N 4.54 0.73 -0.92 -2.67 3.38 -1.72 -3.16 115.31 115.48 2qsp h LEU 80 Ca 0.13 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.70 2qsp h LEU 80 Cb 0.90 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 2qsp h LEU 80 CO 0.42 1.30 -0.49 0.11 0.09 0.00 0.00 178.44 179.87 2qsp h LYS 81 N 0.38 -0.05 0.01 1.13 1.79 -1.90 -1.03 116.57 116.91 2qsp h LYS 81 Ca -0.06 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 2qsp h LYS 81 Cb 1.46 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2qsp h LYS 81 CO 0.16 -0.03 -0.95 0.78 -1.08 0.00 0.00 179.45 178.33 2qsp h GLY 82 N -0.05 0.33 0.83 3.86 0.00 -1.96 -2.68 103.07 103.41 2qsp h GLY 82 Ca 0.23 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.99 2qsp h GLY 82 CO -0.91 0.54 0.49 -0.84 0.00 0.00 0.00 176.54 175.83 2qsp h THR 83 N 0.16 1.09 -0.55 4.70 2.02 -1.45 -2.98 112.91 115.90 2qsp h THR 83 Ca -0.07 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2qsp h THR 83 Cb 1.59 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2qsp h THR 83 CO 0.15 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.71 2qsp n PHE 84 N -4.62 1.88 0.11 3.16 3.72 -0.42 -4.68 117.46 116.61 2qsp n PHE 84 Ca 0.10 -0.66 -0.05 0.00 -0.05 0.00 0.00 57.45 56.78 2qsp n PHE 84 Cb 0.11 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 2qsp n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qsp h ALA 85 N 3.93 -1.01 -0.86 4.37 0.00 -1.31 0.51 119.26 124.89 2qsp h ALA 85 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2qsp h ALA 85 Cb 1.82 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.70 2qsp h ALA 85 CO 0.43 -0.99 0.37 0.00 0.00 0.00 0.00 179.25 179.05 2qsp h ALA 86 N -1.75 1.32 -0.42 0.00 0.00 -1.83 0.78 119.26 117.35 2qsp h ALA 86 Ca -0.03 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2qsp h ALA 86 Cb 0.23 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2qsp h ALA 86 CO 0.03 -0.28 -0.05 -0.07 0.00 0.00 0.00 179.25 178.88 2qsp h LEU 87 N 0.43 0.68 -0.74 0.00 3.38 -1.86 -1.88 115.31 115.33 2qsp h LEU 87 Ca 0.51 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2qsp h LEU 87 Cb 0.91 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2qsp h LEU 87 CO -0.49 0.79 0.25 -1.28 0.09 0.00 0.00 178.44 177.80 2qsp h SER 88 N 0.66 1.06 -0.28 -0.43 0.87 0.24 -0.71 113.55 114.97 2qsp h SER 88 Ca 0.12 -0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.30 2qsp h SER 88 Cb 0.48 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2qsp h SER 88 CO 0.02 0.98 -0.57 1.05 -0.53 0.00 0.00 176.83 177.78 2qsp h GLU 89 N 1.09 0.88 0.17 2.24 4.11 -1.27 -1.35 114.58 120.45 2qsp h GLU 89 Ca 0.24 -0.57 0.01 0.00 0.07 0.00 0.00 59.36 59.12 2qsp h GLU 89 Cb 0.28 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2qsp h GLU 89 CO -0.01 1.20 -0.35 1.25 0.07 0.00 0.00 179.01 181.17 2qsp h LEU 90 N 0.66 -1.00 -0.69 3.06 5.85 -1.21 -1.34 115.31 120.63 2qsp h LEU 90 Ca 0.01 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2qsp h LEU 90 Cb 1.18 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2qsp h LEU 90 CO 0.13 -0.45 -0.61 0.45 -0.34 0.00 0.00 178.44 177.62 2qsp h HIS 91 N -0.61 0.21 0.00 1.25 3.86 -1.10 -1.31 115.15 117.44 2qsp h HIS 91 Ca 0.02 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2qsp h HIS 91 Cb 0.62 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2qsp h HIS 91 CO -0.29 0.73 -0.62 0.00 0.86 0.00 0.00 177.93 178.61 2qsp h ASP 93 N -0.79 0.10 0.00 0.00 3.32 -1.41 -2.73 116.42 114.90 2qsp h ASP 93 Ca 0.00 -0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.57 2qsp h ASP 93 Cb 0.62 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 2qsp h ASP 93 CO 0.00 0.78 -2.50 0.29 -1.72 0.00 0.00 179.24 176.09 2qsp n LYS 94 N -3.73 0.63 -0.01 3.56 5.02 -0.99 -4.67 118.16 117.97 2qsp n LYS 94 Ca -0.02 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 2qsp n LYS 94 Cb 0.69 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 2qsp n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qsp n LEU 95 N -3.55 0.19 -3.71 -0.35 4.77 -0.51 -5.01 117.00 108.82 2qsp n LEU 95 Ca -0.49 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.33 2qsp n LEU 95 Cb 0.96 0.11 0.05 0.00 -2.33 0.00 0.00 43.42 42.21 2qsp n LEU 95 CO 0.19 0.10 0.09 1.41 -1.33 0.00 0.00 177.39 177.85 2qsp n HIS 96 N -2.48 -2.30 -2.52 -1.77 8.25 -0.85 -4.96 115.22 108.60 2qsp n HIS 96 Ca -0.10 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.85 2qsp n HIS 96 Cb 0.72 -4.49 -0.03 0.00 1.12 0.00 0.00 29.99 27.31 2qsp n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qsp s VAL 97 N -3.42 4.36 0.27 1.59 1.01 -0.48 -4.97 120.40 118.76 2qsp s VAL 97 Ca 0.36 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 2qsp s VAL 97 Cb -0.17 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 2qsp s VAL 97 CO 0.79 0.03 1.52 -0.62 0.00 0.00 0.00 175.10 176.82 2qsp s ASP 98 N 1.30 6.52 0.45 3.32 -1.08 -1.26 -4.81 116.67 121.11 2qsp s ASP 98 Ca 0.55 2.80 0.31 0.00 -0.52 0.00 0.00 52.55 55.69 2qsp s ASP 98 Cb -0.24 -2.63 1.59 0.00 -1.46 0.00 0.00 42.92 40.18 2qsp s ASP 98 CO 0.23 -0.80 1.94 1.55 0.52 0.00 0.00 175.17 178.61 2qsp h PRO 99 N 4.99 0.00 -0.62 4.34 0.13 -1.97 -0.73 132.00 138.14 2qsp h PRO 99 Ca -0.46 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 2qsp h PRO 99 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2qsp h PRO 99 CO 0.79 0.00 0.42 1.49 -0.23 0.00 0.00 178.00 180.47 2qsp h GLU 100 N 0.00 0.24 0.00 0.86 4.57 -2.00 -1.76 114.58 116.49 2qsp h GLU 100 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2qsp h GLU 100 Cb 0.11 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2qsp h GLU 100 CO 0.00 0.16 -0.12 -0.91 -1.18 0.00 0.00 179.01 176.96 2qsp h ASN 101 N 0.25 0.00 -0.53 1.04 2.35 -1.48 -1.97 115.58 115.24 2qsp h ASN 101 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2qsp h ASN 101 Cb 0.82 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2qsp h ASN 101 CO -0.06 0.12 0.28 -0.26 -1.65 0.00 0.00 177.43 175.85 2qsp h PHE 102 N 0.00 0.73 -0.62 1.19 0.04 -1.47 -0.77 116.94 116.05 2qsp h PHE 102 Ca -0.00 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2qsp h PHE 102 Cb 0.84 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 2qsp h PHE 102 CO 0.00 0.55 0.24 0.87 -0.60 0.00 0.00 178.31 179.37 2qsp h LYS 103 N 0.70 0.93 -0.40 1.51 1.57 -1.44 -2.24 116.57 117.20 2qsp h LYS 103 Ca 0.18 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2qsp h LYS 103 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2qsp h LYS 103 CO -0.03 0.79 0.15 -0.07 -0.57 0.00 0.00 179.45 179.73 2qsp h LEU 104 N 0.86 0.56 -0.59 2.94 3.38 -1.11 -0.56 115.31 120.79 2qsp h LEU 104 Ca 0.20 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2qsp h LEU 104 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2qsp h LEU 104 CO -0.02 0.59 0.08 0.25 0.09 0.00 0.00 178.44 179.43 2qsp h LEU 105 N 0.50 0.95 -0.66 1.67 5.85 -1.09 0.66 115.31 123.18 2qsp h LEU 105 Ca 0.13 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.68 2qsp h LEU 105 Cb 0.21 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2qsp h LEU 105 CO -0.01 0.98 0.30 1.23 -0.34 0.00 0.00 178.44 180.60 2qsp h GLY 106 N 0.88 0.96 1.50 3.75 0.00 -1.22 0.73 103.07 109.67 2qsp h GLY 106 Ca 0.18 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2qsp h GLY 106 CO 0.01 0.03 -0.67 3.43 0.00 0.00 0.00 176.54 179.34 2qsp h ASN 107 N 0.51 0.58 -0.52 0.19 -0.26 -0.50 -2.28 115.58 113.30 2qsp h ASN 107 Ca 0.33 -0.36 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2qsp h ASN 107 Cb 0.37 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 2qsp h ASN 107 CO -0.28 1.09 0.33 0.58 -1.06 0.00 0.00 177.43 178.09 2qsp h VAL 108 N 0.36 1.10 -0.82 2.81 2.07 -0.60 -1.21 116.25 119.97 2qsp h VAL 108 Ca -0.02 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2qsp h VAL 108 Cb 1.24 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2qsp h VAL 108 CO 0.12 0.12 0.48 0.25 0.02 0.00 0.00 177.57 178.56 2qsp h LEU 109 N 0.68 0.70 -0.54 2.57 5.85 -0.69 0.11 115.31 123.97 2qsp h LEU 109 Ca 0.20 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2qsp h LEU 109 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2qsp h LEU 109 CO -0.06 0.42 -0.01 0.58 -0.34 0.00 0.00 178.44 179.03 2qsp h VAL 110 N 0.82 1.26 -0.84 1.05 2.07 -0.92 0.11 116.25 119.81 2qsp h VAL 110 Ca 0.38 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2qsp h VAL 110 Cb 0.30 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2qsp h VAL 110 CO -0.22 0.40 0.53 0.58 0.02 0.00 0.00 177.57 178.88 2qsp h VAL 111 N 0.84 1.11 -0.65 2.57 2.07 -0.28 -1.26 116.25 120.64 2qsp h VAL 111 Ca 0.15 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2qsp h VAL 111 Cb 0.54 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2qsp h VAL 111 CO 0.03 0.19 0.17 0.58 0.02 0.00 0.00 177.57 178.56 2qsp h VAL 112 N 1.02 1.26 -1.00 2.57 2.07 -0.22 -0.12 116.25 121.83 2qsp h VAL 112 Ca 0.34 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2qsp h VAL 112 Cb 0.05 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2qsp h VAL 112 CO -0.13 0.35 0.66 -0.07 0.02 0.00 0.00 177.57 178.40 2qsp h LEU 113 N 0.96 1.13 -0.23 2.57 3.38 -0.53 -1.70 115.31 120.88 2qsp h LEU 113 Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qsp h LEU 113 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qsp h LEU 113 CO -0.00 0.81 0.03 0.00 0.09 0.00 0.00 178.44 179.36 2qsp h ALA 114 N 1.37 0.31 -0.84 1.53 0.00 -0.68 0.13 119.26 121.09 2qsp h ALA 114 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qsp h ALA 114 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2qsp h ALA 114 CO -0.09 -0.00 0.48 -0.09 0.00 0.00 0.00 179.25 179.55 2qsp h ARG 115 N 0.18 1.15 0.00 0.00 2.43 -0.81 0.12 114.38 117.45 2qsp h ARG 115 Ca 0.07 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 2qsp h ARG 115 Cb 0.34 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2qsp h ARG 115 CO 0.01 0.83 -1.01 -0.91 -1.51 0.00 0.00 179.97 177.38 2qsp h ASN 116 N 1.16 0.00 0.00 -3.80 2.35 -1.15 -3.37 115.58 110.77 2qsp h ASN 116 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2qsp h ASN 116 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2qsp h ASN 116 CO -0.05 0.88 -0.80 0.49 -1.65 0.00 0.00 177.43 176.30 2qsp n PHE 117 N -3.27 0.00 0.00 1.19 3.72 0.45 -5.05 117.46 114.50 2qsp n PHE 117 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2qsp n PHE 117 Cb 0.91 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 2qsp n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qsp n GLY 118 N 1.43 3.38 0.30 1.37 0.00 0.42 -2.09 105.19 110.01 2qsp n GLY 118 Ca 0.01 -0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2qsp n GLY 118 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qsp h LYS 119 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.54 116.57 117.77 2qsp h LYS 119 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2qsp h LYS 119 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2qsp h LYS 119 CO 0.00 0.01 -0.19 1.49 -2.00 0.00 0.00 179.45 178.77 2qsp h GLU 120 N 0.00 0.00 -4.17 0.07 4.81 -1.83 -3.34 114.58 110.12 2qsp h GLU 120 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2qsp h GLU 120 Cb 0.26 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.48 2qsp h GLU 120 CO 0.00 0.19 1.69 0.34 -0.73 0.00 0.00 179.01 180.50 2qsp n PHE 121 N -3.34 4.01 -1.18 0.92 7.35 -0.21 -4.97 117.46 120.02 2qsp n PHE 121 Ca 0.00 -3.08 -0.31 0.00 -0.76 0.00 0.00 57.45 53.30 2qsp n PHE 121 Cb 0.41 -2.08 0.12 0.00 0.35 0.00 0.00 39.48 38.28 2qsp n PHE 121 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qsp s THR 122 N 1.04 2.98 0.27 -2.13 -4.23 -1.26 -4.68 115.64 107.63 2qsp s THR 122 Ca 0.41 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.23 2qsp s THR 122 Cb 0.03 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.38 2qsp s THR 122 CO 0.00 -0.41 1.69 -0.65 -0.54 0.00 0.00 174.62 174.71 2qsp h PRO 123 N -1.36 0.31 -0.32 3.99 0.11 -1.94 0.12 132.00 132.92 2qsp h PRO 123 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2qsp h PRO 123 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2qsp h PRO 123 CO 0.52 0.21 -0.03 0.28 -0.21 0.00 0.00 178.00 178.76 2qsp h VAL 124 N 0.32 1.27 -0.36 3.15 2.07 -1.99 0.23 116.25 120.94 2qsp h VAL 124 Ca 0.49 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2qsp h VAL 124 Cb 0.88 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2qsp h VAL 124 CO -0.53 0.33 0.15 0.25 0.02 0.00 0.00 177.57 177.79 2qsp h LEU 125 N 0.38 0.50 -0.92 2.57 7.12 -1.82 -2.13 115.31 121.00 2qsp h LEU 125 Ca 0.09 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 2qsp h LEU 125 Cb 0.49 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.45 2qsp h LEU 125 CO 0.02 0.52 0.55 -0.61 -0.13 0.00 0.00 178.44 178.79 2qsp h GLN 126 N 0.44 1.25 -0.82 1.25 4.15 -0.64 -1.67 115.11 119.07 2qsp h GLN 126 Ca 0.12 -0.12 0.09 0.00 0.77 0.00 0.00 58.65 59.51 2qsp h GLN 126 Cb 0.17 -0.26 -0.07 0.00 0.21 0.00 0.00 27.48 27.53 2qsp h GLN 126 CO -0.01 0.88 0.47 0.00 -1.93 0.00 0.00 178.83 178.24 2qsp h ALA 127 N 1.30 1.16 -0.19 3.38 0.00 -0.54 0.16 119.26 124.53 2qsp h ALA 127 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qsp h ALA 127 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qsp h ALA 127 CO -0.06 0.11 0.12 -0.44 0.00 0.00 0.00 179.25 178.98 2qsp h ASP 128 N 0.80 0.23 -0.20 0.00 3.32 -0.89 -2.47 116.42 117.22 2qsp h ASP 128 Ca 0.39 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2qsp h ASP 128 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2qsp h ASP 128 CO -0.24 0.19 0.06 -0.26 -1.72 0.00 0.00 179.24 177.28 2qsp h PHE 129 N 0.24 0.39 -0.90 4.55 0.04 -0.39 -1.75 116.94 119.12 2qsp h PHE 129 Ca 0.07 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2qsp h PHE 129 Cb 0.00 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 2qsp h PHE 129 CO -0.06 0.35 0.49 1.96 -0.60 0.00 0.00 178.31 180.46 2qsp h GLN 130 N 0.39 1.25 -0.46 1.51 1.08 -0.38 0.21 115.11 118.71 2qsp h GLN 130 Ca 0.09 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2qsp h GLN 130 Cb 0.16 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2qsp h GLN 130 CO -0.00 0.91 0.24 0.87 -0.95 0.00 0.00 178.83 179.90 2qsp h LYS 131 N 1.25 0.65 0.34 1.46 1.57 -0.93 -1.74 116.57 119.17 2qsp h LYS 131 Ca 0.32 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2qsp h LYS 131 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2qsp h LYS 131 CO -0.05 0.53 -0.21 0.28 -0.57 0.00 0.00 179.45 179.43 2qsp h VAL 132 N 0.60 0.57 -0.25 0.50 2.07 -0.93 -0.54 116.25 118.28 2qsp h VAL 132 Ca 0.16 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 2qsp h VAL 132 Cb 0.08 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2qsp h VAL 132 CO -0.02 0.00 -0.19 -0.37 0.02 0.00 0.00 177.57 177.01 2qsp h VAL 133 N -0.52 1.24 -0.62 2.57 -1.51 -0.94 -0.75 116.25 115.72 2qsp h VAL 133 Ca -0.04 -1.11 -0.02 0.00 -1.23 0.00 0.00 66.70 64.31 2qsp h VAL 133 Cb 0.43 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.82 2qsp h VAL 133 CO 0.04 0.35 0.32 0.00 -1.23 0.00 0.00 177.57 177.05 2qsp h ALA 134 N 1.41 0.80 -0.31 5.19 0.00 -1.23 -0.71 119.26 124.40 2qsp h ALA 134 Ca 0.07 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qsp h ALA 134 Cb 0.56 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2qsp h ALA 134 CO 0.04 0.33 0.03 0.78 0.00 0.00 0.00 179.25 180.43 2qsp h GLY 135 N 0.84 0.33 0.94 0.00 0.00 -0.37 -0.15 103.07 104.66 2qsp h GLY 135 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2qsp h GLY 135 CO -0.03 -0.04 -0.05 -2.08 0.00 0.00 0.00 176.54 174.34 2qsp h VAL 136 N 0.13 0.94 -0.35 4.60 2.07 -1.07 -0.49 116.25 122.08 2qsp h VAL 136 Ca 0.15 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2qsp h VAL 136 Cb 0.18 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2qsp h VAL 136 CO -0.22 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.45 2qsp h ALA 137 N 0.69 0.35 -1.00 1.67 0.00 -0.96 0.14 119.26 120.15 2qsp h ALA 137 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qsp h ALA 137 Cb 0.17 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2qsp h ALA 137 CO 0.02 -0.36 0.66 -0.97 0.00 0.00 0.00 179.25 178.60 2qsp h ASN 138 N 0.15 1.13 -0.39 0.00 -0.73 -0.88 -0.93 115.58 113.94 2qsp h ASN 138 Ca 0.17 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.26 2qsp h ASN 138 Cb 0.21 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 2qsp h ASN 138 CO -0.25 0.81 0.03 0.00 -0.37 0.00 0.00 177.43 177.65 2qsp h ALA 139 N 1.38 0.53 -0.08 1.57 0.00 -0.17 -2.77 119.26 119.73 2qsp h ALA 139 Ca 0.38 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2qsp h ALA 139 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qsp h ALA 139 CO -0.10 0.27 -0.37 -0.07 0.00 0.00 0.00 179.25 178.99 2qsp h LEU 140 N 0.51 0.17 -0.14 0.00 3.38 -0.17 -2.86 115.31 116.20 2qsp h LEU 140 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qsp h LEU 140 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qsp h LEU 140 CO 0.01 0.53 -0.11 0.00 0.09 0.00 0.00 178.44 178.97 2qsp n ALA 141 N -2.47 2.72 -0.28 1.53 0.00 -0.41 -4.41 120.51 117.19 2qsp n ALA 141 Ca -0.01 -0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.34 2qsp n ALA 141 Cb 0.43 -1.36 0.42 0.00 0.00 0.00 0.00 19.45 18.94 2qsp n ALA 141 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qsp h HIS 142 N 0.34 0.76 0.00 0.00 6.17 -1.25 0.81 115.15 121.98 2qsp h HIS 142 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2qsp h HIS 142 Cb 0.37 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.07 2qsp h HIS 142 CO 0.00 0.23 0.00 0.54 0.71 0.00 0.00 177.93 179.41 2qsp n ARG 143 N -4.58 0.06 0.00 5.26 5.12 -1.26 -0.77 116.66 120.49 2qsp n ARG 143 Ca 0.19 0.38 0.13 0.00 -1.93 0.00 0.00 57.85 56.63 2qsp n ARG 143 Cb 0.58 -1.63 0.43 0.00 -1.16 0.00 0.00 32.46 30.68 2qsp n ARG 143 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2qsp n TYR 144 N -1.74 0.00 0.21 -1.55 4.01 0.28 -4.94 117.16 113.43 2qsp n TYR 144 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2qsp n TYR 144 Cb 0.13 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 38.88 2qsp n TYR 144 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12