#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 4.20 0.91 4.03 1.43 -1.26 -5.07 118.68 122.91 2qsp s LEU 2 Ca 0.00 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 2qsp s LEU 2 Cb 0.00 -3.70 0.14 0.00 0.03 0.00 0.00 46.19 42.65 2qsp s LEU 2 CO 0.00 -0.06 1.09 0.42 0.23 0.00 0.00 176.35 178.03 2qsp s THR 3 N -1.75 2.62 0.24 5.49 -4.23 -1.26 -4.80 115.64 111.94 2qsp s THR 3 Ca 0.47 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2qsp s THR 3 Cb -0.12 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.35 2qsp s THR 3 CO 0.20 -0.26 1.75 0.00 -0.54 0.00 0.00 174.62 175.77 2qsp h ALA 4 N -1.64 1.07 -0.90 3.99 0.00 -1.99 0.03 119.26 119.83 2qsp h ALA 4 Ca -0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2qsp h ALA 4 Cb 1.28 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2qsp h ALA 4 CO 0.52 -0.13 0.51 1.49 0.00 0.00 0.00 179.25 181.64 2qsp h GLU 5 N 0.53 1.23 -0.17 0.00 4.81 -1.99 -0.59 114.58 118.39 2qsp h GLU 5 Ca 0.40 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 2qsp h GLU 5 Cb 0.54 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2qsp h GLU 5 CO -0.35 0.88 -0.63 0.93 -0.73 0.00 0.00 179.01 179.11 2qsp h GLU 6 N 1.24 0.62 -0.46 1.92 5.08 -1.77 -1.14 114.58 120.06 2qsp h GLU 6 Ca 0.32 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2qsp h GLU 6 Cb -0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2qsp h GLU 6 CO -0.06 1.05 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.62 2qsp h LYS 7 N 0.45 0.90 -0.23 2.33 3.64 -0.62 -1.58 116.57 121.47 2qsp h LYS 7 Ca -0.01 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 2qsp h LYS 7 Cb 1.21 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2qsp h LYS 7 CO 0.12 0.99 -0.21 0.00 -2.27 0.00 0.00 179.45 178.08 2qsp h ALA 8 N 1.02 0.34 -0.22 5.00 0.00 -0.95 -0.78 119.26 123.66 2qsp h ALA 8 Ca 0.12 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2qsp h ALA 8 Cb 0.70 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2qsp h ALA 8 CO 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 2qsp h ALA 9 N 0.67 0.14 -0.54 0.00 0.00 -1.18 -0.73 119.26 117.62 2qsp h ALA 9 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qsp h ALA 9 Cb 0.76 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2qsp h ALA 9 CO 0.05 -0.48 0.35 0.28 0.00 0.00 0.00 179.25 179.45 2qsp h VAL 10 N -0.01 1.15 -0.31 0.00 2.07 -1.16 -1.92 116.25 116.06 2qsp h VAL 10 Ca 0.11 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2qsp h VAL 10 Cb 0.17 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2qsp h VAL 10 CO -0.23 0.15 -0.12 0.74 0.02 0.00 0.00 177.57 178.13 2qsp h THR 11 N 0.73 1.29 -0.40 2.57 2.02 -0.99 0.16 112.91 118.29 2qsp h THR 11 Ca 0.20 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2qsp h THR 11 Cb -0.05 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2qsp h THR 11 CO -0.04 0.38 0.16 0.00 0.37 0.00 0.00 175.52 176.40 2qsp h ALA 12 N 0.78 0.52 0.04 6.16 0.00 -1.03 -0.64 119.26 125.08 2qsp h ALA 12 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qsp h ALA 12 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qsp h ALA 12 CO 0.04 0.12 -0.02 0.35 0.00 0.00 0.00 179.25 179.74 2qsp h PHE 13 N 0.50 -0.05 -0.60 0.00 3.57 -1.21 -2.93 116.94 116.23 2qsp h PHE 13 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2qsp h PHE 13 Cb 0.19 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2qsp h PHE 13 CO -0.00 0.01 0.31 2.35 -2.23 0.00 0.00 178.31 178.75 2qsp h TRP 14 N -0.09 0.82 -0.65 0.41 2.91 -0.76 -2.39 115.95 116.20 2qsp h TRP 14 Ca -0.01 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.11 2qsp h TRP 14 Cb 0.08 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 28.39 2qsp h TRP 14 CO -0.06 0.59 0.23 0.78 -1.03 0.00 0.00 178.44 178.95 2qsp h GLY 15 N 0.92 0.92 1.48 2.65 0.00 -1.03 -3.30 103.07 104.71 2qsp h GLY 15 Ca 0.21 -0.11 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 2qsp h GLY 15 CO -0.03 -0.06 -1.36 0.07 0.00 0.00 0.00 176.54 175.16 2qsp h LYS 16 N 0.39 0.10 -6.92 4.80 2.10 -1.25 -3.47 116.57 112.32 2qsp h LYS 16 Ca 0.34 -0.17 -0.49 0.00 -2.00 0.00 0.00 60.65 58.32 2qsp h LYS 16 Cb 0.46 0.06 0.02 0.00 -0.90 0.00 0.00 32.23 31.88 2qsp h LYS 16 CO -0.35 0.93 0.45 0.14 -2.00 0.00 0.00 179.45 178.62 2qsp s VAL 17 N -2.65 3.55 -0.44 0.07 -7.23 -1.02 -4.98 120.40 107.70 2qsp s VAL 17 Ca -0.04 1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 61.18 2qsp s VAL 17 Cb 0.08 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.32 2qsp s VAL 17 CO 0.84 0.12 0.90 -0.54 -0.31 0.00 0.00 175.10 176.11 2qsp s LYS 18 N -2.17 3.56 -0.11 4.82 3.01 -1.26 -4.93 119.74 122.66 2qsp s LYS 18 Ca 0.54 0.18 0.15 0.00 -1.01 0.00 0.00 55.97 55.83 2qsp s LYS 18 Cb -0.26 -3.91 0.27 0.00 -1.01 0.00 0.00 37.83 32.92 2qsp s LYS 18 CO 0.33 -1.16 1.16 1.33 0.51 0.00 0.00 175.35 177.52 2qsp n VAL 19 N 6.31 1.74 0.64 3.17 0.24 -1.26 -4.80 118.33 124.37 2qsp n VAL 19 Ca 0.06 -1.92 0.10 0.00 -2.04 0.00 0.00 64.34 60.54 2qsp n VAL 19 Cb 0.48 -0.07 0.42 0.00 -1.47 0.00 0.00 33.84 33.21 2qsp n VAL 19 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2qsp n ASP 20 N -1.05 0.10 -0.43 -1.34 5.68 -1.26 -2.07 116.55 116.18 2qsp n ASP 20 Ca 0.13 0.52 0.07 0.00 -0.50 0.00 0.00 54.79 55.01 2qsp n ASP 20 Cb 0.59 -0.54 0.03 0.00 -1.14 0.00 0.00 41.12 40.06 2qsp n ASP 20 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qsp n GLU 21 N -1.60 1.41 -0.17 0.11 1.02 -1.26 -4.72 120.64 115.44 2qsp n GLU 21 Ca 0.04 -1.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.07 2qsp n GLU 21 Cb 0.24 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2qsp n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qsp h VAL 22 N 2.10 1.26 -0.35 2.62 2.07 -1.76 -2.43 116.25 119.76 2qsp h VAL 22 Ca 0.00 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2qsp h VAL 22 Cb 0.51 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2qsp h VAL 22 CO 0.00 0.35 0.16 1.23 0.02 0.00 0.00 177.57 179.33 2qsp h GLY 23 N 0.67 0.54 1.45 2.17 0.00 -1.76 -0.21 103.07 105.93 2qsp h GLY 23 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2qsp h GLY 23 CO 0.02 0.26 0.00 -1.33 0.00 0.00 0.00 176.54 175.49 2qsp h GLY 24 N 0.42 0.73 1.05 4.60 0.00 -1.69 -1.46 103.07 106.72 2qsp h GLY 24 Ca 0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 2qsp h GLY 24 CO -0.01 0.43 -0.23 -2.09 0.00 0.00 0.00 176.54 174.63 2qsp h GLU 25 N 0.64 0.87 -0.23 4.80 4.81 -1.14 -1.52 114.58 122.81 2qsp h GLU 25 Ca 0.13 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2qsp h GLU 25 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2qsp h GLU 25 CO 0.01 1.04 0.05 0.00 -0.73 0.00 0.00 179.01 179.39 2qsp h ALA 26 N 0.81 0.30 -0.54 2.92 0.00 -0.61 0.35 119.26 122.49 2qsp h ALA 26 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qsp h ALA 26 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2qsp h ALA 26 CO 0.07 -0.05 0.28 1.25 0.00 0.00 0.00 179.25 180.80 2qsp h LEU 27 N 0.18 0.69 0.05 0.00 6.46 -1.33 -0.44 115.31 120.93 2qsp h LEU 27 Ca 0.07 -0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2qsp h LEU 27 Cb 0.28 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 2qsp h LEU 27 CO 0.00 0.61 -0.07 1.23 -0.62 0.00 0.00 178.44 179.59 2qsp h GLY 28 N 0.73 -0.12 0.97 3.75 0.00 -1.14 -2.34 103.07 104.93 2qsp h GLY 28 Ca 0.19 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2qsp h GLY 28 CO -0.03 -0.07 0.36 3.21 0.00 0.00 0.00 176.54 180.01 2qsp h ARG 29 N -0.15 0.70 -0.66 4.80 3.08 -0.75 -1.43 114.38 119.99 2qsp h ARG 29 Ca 0.01 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.16 2qsp h ARG 29 Cb 0.15 -0.16 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2qsp h ARG 29 CO -0.03 0.47 0.05 1.25 -1.07 0.00 0.00 179.97 180.63 2qsp h LEU 30 N 0.73 -0.20 -0.79 3.04 5.85 -0.72 0.12 115.31 123.35 2qsp h LEU 30 Ca 0.21 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 2qsp h LEU 30 Cb -0.06 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2qsp h LEU 30 CO -0.06 -0.09 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.46 2qsp h LEU 31 N 0.16 0.00 0.06 2.25 3.38 -0.83 0.11 115.31 120.44 2qsp h LEU 31 Ca 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 2qsp h LEU 31 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qsp h LEU 31 CO -0.53 0.42 -0.36 0.58 0.09 0.00 0.00 178.44 178.64 2qsp h VAL 32 N 0.00 1.66 0.03 1.22 2.07 -0.88 -3.30 116.25 117.04 2qsp h VAL 32 Ca -0.00 -2.39 -0.22 0.00 0.82 0.00 0.00 66.70 64.91 2qsp h VAL 32 Cb 0.99 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 34.02 2qsp h VAL 32 CO 0.05 0.65 -0.97 0.58 0.02 0.00 0.00 177.57 177.90 2qsp h VAL 33 N -0.69 1.50 -2.83 2.57 2.07 -0.76 -3.38 116.25 114.73 2qsp h VAL 33 Ca -0.06 -2.76 -0.61 0.00 0.82 0.00 0.00 66.70 64.09 2qsp h VAL 33 Cb 1.27 2.59 -0.41 0.00 -1.52 0.00 0.00 31.29 33.22 2qsp h VAL 33 CO 0.07 0.81 -0.69 -1.22 0.02 0.00 0.00 177.57 176.56 2qsp n TYR 34 N -3.62 2.14 0.34 1.57 4.01 0.37 -5.00 117.16 116.98 2qsp n TYR 34 Ca -0.05 -4.04 0.14 0.00 -0.16 0.00 0.00 57.90 53.79 2qsp n TYR 34 Cb 0.87 -0.39 0.59 0.00 -0.31 0.00 0.00 39.34 40.10 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 5.35 0.00 -0.18 -0.72 0.11 -1.75 -1.14 132.00 133.66 2qsp h PRO 35 Ca 0.18 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.35 2qsp h PRO 35 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2qsp h PRO 35 CO 0.63 0.00 0.18 0.11 -0.21 0.00 0.00 178.00 178.71 2qsp h TRP 36 N 0.00 0.00 0.00 0.65 0.09 -1.92 -0.75 115.95 114.01 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 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.59 2qsp h TRP 36 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2qsp h THR 37 N 0.00 0.00 -0.07 0.12 1.35 -1.52 -1.67 112.91 111.12 2qsp h THR 37 Ca 0.09 -0.23 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2qsp h THR 37 Cb 0.45 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2qsp h THR 37 CO -0.00 0.00 0.05 1.56 -0.25 0.00 0.00 175.52 176.88 2qsp h GLN 38 N 0.00 0.00 -1.02 4.72 4.20 -1.33 -2.80 115.11 118.87 2qsp h GLN 38 Ca 0.00 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.96 2qsp h GLN 38 Cb 0.25 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.92 2qsp h GLN 38 CO 0.00 0.00 0.63 -0.09 -0.67 0.00 0.00 178.83 178.70 2qsp h ARG 39 N 0.00 0.48 0.00 1.46 2.43 -1.47 -0.76 114.38 116.52 2qsp h ARG 39 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qsp h ARG 39 Cb 0.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2qsp h ARG 39 CO -0.00 0.32 0.00 1.19 -1.51 0.00 0.00 179.97 179.97 2qsp n PHE 40 N -4.76 0.32 -1.98 2.20 3.01 -1.06 -3.97 117.46 111.22 2qsp n PHE 40 Ca 0.26 0.10 -0.04 0.00 1.01 0.00 0.00 57.45 58.78 2qsp n PHE 40 Cb 0.81 -0.66 0.11 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.77 0.98 -0.02 1.38 3.72 -0.29 -4.81 117.46 116.66 2qsp n PHE 41 Ca 0.06 -1.65 0.09 0.00 -0.05 0.00 0.00 57.45 55.90 2qsp n PHE 41 Cb 0.34 -0.26 0.50 0.00 -0.94 0.00 0.00 39.48 39.12 2qsp n PHE 41 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qsp h GLU 42 N 1.53 0.39 0.00 -1.08 4.81 -1.69 -0.74 114.58 117.80 2qsp h GLU 42 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2qsp h GLU 42 Cb 1.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2qsp h GLU 42 CO 0.27 0.26 0.00 -1.13 -0.73 0.00 0.00 179.01 177.68 2qsp n SER 43 N -4.47 0.00 -0.00 1.04 3.41 -1.26 -3.07 113.62 109.26 2qsp n SER 43 Ca 0.06 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 2qsp n SER 43 Cb 0.25 -0.47 0.58 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.47 0.00 0.00 7.33 3.01 -0.29 -5.01 117.46 121.03 2qsp n PHE 44 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2qsp n PHE 44 Cb 0.14 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 1.48 0.97 3.60 1.37 0.00 -1.18 -4.69 105.19 106.74 2qsp n GLY 45 Ca 0.08 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 6.55 -0.13 1.61 -1.08 -1.26 -4.82 116.67 113.54 2qsp s ASP 46 Ca 0.00 0.64 0.16 0.00 -0.52 0.00 0.00 52.55 52.83 2qsp s ASP 46 Cb 0.00 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.22 2qsp s ASP 46 CO 0.00 -1.29 1.15 0.18 0.52 0.00 0.00 175.17 175.73 2qsp n LEU 47 N 8.12 2.18 0.15 -1.34 4.77 -1.26 -4.03 117.00 125.59 2qsp n LEU 47 Ca 0.14 -3.07 0.13 0.00 -0.03 0.00 0.00 56.01 53.17 2qsp n LEU 47 Cb 0.48 -0.40 0.30 0.00 -2.33 0.00 0.00 43.42 41.48 2qsp n LEU 47 CO 0.70 0.83 0.84 0.77 -1.33 0.00 0.00 177.39 179.20 2qsp h SER 48 N 0.28 0.00 -5.18 -1.43 4.64 -1.92 -3.43 113.55 106.51 2qsp h SER 48 Ca -0.01 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 2qsp h SER 48 Cb 1.07 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 2qsp h SER 48 CO 0.00 0.00 -0.68 0.42 -0.87 0.00 0.00 176.83 175.71 2qsp s THR 49 N -3.15 0.19 0.21 2.95 -4.23 -1.26 -5.03 115.64 105.33 2qsp s THR 49 Ca 0.09 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 2qsp s THR 49 Cb 0.09 -1.23 0.18 0.00 1.34 0.00 0.00 72.50 72.89 2qsp s THR 49 CO 0.63 -0.88 1.67 0.00 -0.54 0.00 0.00 174.62 175.50 2qsp h ALA 50 N 3.49 0.59 -0.72 3.99 0.00 -1.98 0.59 119.26 125.21 2qsp h ALA 50 Ca -0.34 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qsp h ALA 50 Cb 1.16 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2qsp h ALA 50 CO 0.60 -0.39 0.47 -0.44 0.00 0.00 0.00 179.25 179.49 2qsp h ASP 51 N 0.13 0.79 -0.18 0.00 3.32 -1.98 -0.86 116.42 117.64 2qsp h ASP 51 Ca 0.31 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 2qsp h ASP 51 Cb 0.49 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2qsp h ASP 51 CO -0.50 0.56 0.11 0.00 -1.72 0.00 0.00 179.24 177.68 2qsp h ALA 52 N 1.29 0.23 -0.19 3.45 0.00 -1.58 -1.43 119.26 121.01 2qsp h ALA 52 Ca 0.28 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2qsp h ALA 52 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2qsp h ALA 52 CO -0.08 -0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.13 2qsp h VAL 53 N 0.21 0.81 -0.13 0.00 2.07 -0.62 -0.44 116.25 118.14 2qsp h VAL 53 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 2qsp h VAL 53 Cb 0.03 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2qsp h VAL 53 CO -0.01 0.00 -0.46 0.24 0.02 0.00 0.00 177.57 177.35 2qsp h MET 54 N -0.00 0.33 -0.18 1.57 2.07 -0.93 -2.58 114.93 115.20 2qsp h MET 54 Ca 0.09 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2qsp h MET 54 Cb 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 2qsp h MET 54 CO -0.20 0.73 0.00 0.09 1.07 0.00 0.00 176.91 178.60 2qsp n ASN 55 N -3.98 2.09 -4.66 1.22 3.02 -0.56 -4.82 115.26 107.57 2qsp n ASN 55 Ca -0.02 -1.76 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 2qsp n ASN 55 Cb 0.53 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.63 6.67 0.43 6.41 3.84 -0.18 -4.90 114.94 125.58 2qsp s ASN 56 Ca 0.34 2.07 0.16 0.00 0.21 0.00 0.00 52.86 55.63 2qsp s ASN 56 Cb 0.19 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 39.33 2qsp s ASN 56 CO 0.28 -0.95 1.95 -0.65 -2.79 0.00 0.00 177.10 174.95 2qsp h PRO 57 N 9.50 0.00 -0.26 0.43 0.11 -1.90 -2.14 132.00 137.74 2qsp h PRO 57 Ca -0.36 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 2qsp h PRO 57 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qsp h PRO 57 CO 0.96 0.23 -0.43 0.87 -0.21 0.00 0.00 178.00 179.42 2qsp h LYS 58 N 0.00 0.64 -0.42 1.05 1.57 -1.90 -0.94 116.57 116.57 2qsp h LYS 58 Ca -0.00 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2qsp h LYS 58 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2qsp h LYS 58 CO 0.03 0.95 0.22 0.28 -0.57 0.00 0.00 179.45 180.35 2qsp h VAL 59 N 0.52 1.16 -0.46 0.50 2.07 -1.72 -0.48 116.25 117.84 2qsp h VAL 59 Ca 0.04 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qsp h VAL 59 Cb 0.96 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2qsp h VAL 59 CO 0.09 0.17 0.28 0.11 0.02 0.00 0.00 177.57 178.24 2qsp h LYS 60 N 0.54 0.62 -0.37 1.57 1.57 -1.29 0.88 116.57 120.09 2qsp h LYS 60 Ca 0.14 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2qsp h LYS 60 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2qsp h LYS 60 CO -0.02 0.46 -0.02 0.00 -0.57 0.00 0.00 179.45 179.30 2qsp h ALA 61 N 1.13 0.51 -0.38 3.86 0.00 -1.00 -2.13 119.26 121.24 2qsp h ALA 61 Ca 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2qsp h ALA 61 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qsp h ALA 61 CO -0.03 0.30 0.01 1.25 0.00 0.00 0.00 179.25 180.78 2qsp h HIS 62 N 0.49 0.73 -0.92 0.00 -0.00 -0.94 -2.86 115.15 111.64 2qsp h HIS 62 Ca 0.10 -0.12 0.11 0.00 -0.00 0.00 0.00 60.37 60.46 2qsp h HIS 62 Cb 0.49 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 27.64 2qsp h HIS 62 CO 0.04 0.75 0.56 0.78 -0.00 0.00 0.00 177.93 180.05 2qsp h GLY 63 N 0.50 1.47 1.28 5.26 0.00 -0.73 -0.41 103.07 110.44 2qsp h GLY 63 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2qsp h GLY 63 CO 0.02 0.15 0.48 1.70 0.00 0.00 0.00 176.54 178.89 2qsp h LYS 64 N 0.91 0.96 -0.63 4.80 3.64 -1.20 -1.13 116.57 123.91 2qsp h LYS 64 Ca 0.45 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.70 2qsp h LYS 64 Cb 0.41 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2qsp h LYS 64 CO -0.25 0.64 0.15 0.87 -2.27 0.00 0.00 179.45 178.58 2qsp h LYS 65 N 0.99 1.02 -0.32 1.90 1.79 -0.91 -0.39 116.57 120.66 2qsp h LYS 65 Ca 0.27 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2qsp h LYS 65 Cb -0.11 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 2qsp h LYS 65 CO -0.06 0.93 0.17 0.28 -1.08 0.00 0.00 179.45 179.69 2qsp h VAL 66 N 0.94 1.14 -0.68 0.50 2.07 -0.82 -1.14 116.25 118.26 2qsp h VAL 66 Ca 0.20 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2qsp h VAL 66 Cb 0.37 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2qsp h VAL 66 CO 0.00 0.14 0.19 0.25 0.02 0.00 0.00 177.57 178.18 2qsp h LEU 67 N 0.39 0.99 -0.74 2.57 5.85 -1.07 0.04 115.31 123.34 2qsp h LEU 67 Ca 0.11 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2qsp h LEU 67 Cb 0.08 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 2qsp h LEU 67 CO -0.02 0.94 0.37 0.44 -0.34 0.00 0.00 178.44 179.84 2qsp h ASP 68 N 1.01 0.49 -0.48 1.25 3.32 -0.69 0.52 116.42 121.84 2qsp h ASP 68 Ca 0.22 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2qsp h ASP 68 Cb 0.32 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2qsp h ASP 68 CO -0.00 0.27 0.17 -1.28 -1.72 0.00 0.00 179.24 176.68 2qsp h SER 69 N 0.62 0.68 -0.63 6.45 0.87 -0.46 -0.46 113.55 120.62 2qsp h SER 69 Ca 0.37 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2qsp h SER 69 Cb 0.39 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2qsp h SER 69 CO -0.28 0.69 0.37 0.15 -0.53 0.00 0.00 176.83 177.23 2qsp h PHE 70 N 0.64 0.68 -0.65 2.24 3.57 0.26 -1.83 116.94 121.84 2qsp h PHE 70 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2qsp h PHE 70 Cb 0.24 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2qsp h PHE 70 CO 0.01 0.36 0.20 0.77 -2.23 0.00 0.00 178.31 177.42 2qsp h SER 71 N 0.70 0.92 -0.38 0.41 0.02 0.39 -0.17 113.55 115.44 2qsp h SER 71 Ca 0.27 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 2qsp h SER 71 Cb 0.09 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 2qsp h SER 71 CO -0.14 0.87 -0.02 -1.13 -1.14 0.00 0.00 176.83 175.27 2qsp h ASN 72 N 0.96 -0.20 -0.65 3.07 -1.24 -0.86 -2.05 115.58 114.61 2qsp h ASN 72 Ca 0.21 0.09 0.10 0.00 0.71 0.00 0.00 56.30 57.42 2qsp h ASN 72 Cb 0.28 0.18 -0.08 0.00 0.73 0.00 0.00 38.32 39.42 2qsp h ASN 72 CO -0.01 -0.06 0.25 1.23 -1.29 0.00 0.00 177.43 177.55 2qsp h GLY 73 N 0.08 0.93 1.67 1.57 0.00 -0.36 -0.62 103.07 106.33 2qsp h GLY 73 Ca 0.19 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.42 2qsp h GLY 73 CO -0.33 -0.02 0.12 -0.33 0.00 0.00 0.00 176.54 175.98 2qsp h MET 74 N 0.44 0.00 -0.00 4.80 2.86 -0.41 -0.70 114.93 121.91 2qsp h MET 74 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2qsp h MET 74 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2qsp h MET 74 CO -0.32 0.00 -0.27 1.63 1.06 0.00 0.00 176.91 179.01 2qsp n LYS 75 N -4.14 0.57 -2.72 1.72 5.02 -0.26 -4.21 118.16 114.14 2qsp n LYS 75 Ca 0.00 -0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 55.88 2qsp n LYS 75 Cb 0.24 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 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 -0.96 1.21 0.28 2.13 8.25 -0.29 -4.93 115.22 120.90 2qsp n HIS 76 Ca 0.11 -2.97 0.16 0.00 -0.26 0.00 0.00 57.72 54.76 2qsp n HIS 76 Cb 0.33 -0.37 0.78 0.00 1.12 0.00 0.00 29.99 31.85 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 2.97 0.00 -0.01 2.41 3.38 -1.67 0.27 115.31 122.67 2qsp h LEU 77 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qsp h LEU 77 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qsp h LEU 77 CO 0.53 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.59 2qsp n ASP 78 N -3.28 0.03 -2.77 -0.43 8.00 -1.26 -4.13 116.55 112.71 2qsp n ASP 78 Ca -0.01 0.50 -0.10 0.00 0.71 0.00 0.00 54.79 55.89 2qsp n ASP 78 Cb 0.26 -0.51 0.04 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.53 0.24 -0.17 -2.24 2.03 0.08 -4.91 116.55 110.04 2qsp n ASP 79 Ca 0.06 -2.79 -0.01 0.00 0.52 0.00 0.00 54.79 52.57 2qsp n ASP 79 Cb 0.30 0.02 0.22 0.00 -0.72 0.00 0.00 41.12 40.94 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 2.77 0.81 -0.43 -2.67 3.38 -1.69 -1.54 115.31 115.93 2qsp h LEU 80 Ca -0.10 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2qsp h LEU 80 Cb 1.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2qsp h LEU 80 CO 0.34 0.68 0.23 0.50 0.09 0.00 0.00 178.44 180.28 2qsp h LYS 81 N 0.90 0.45 -0.45 1.13 3.64 -1.90 -1.96 116.57 118.38 2qsp h LYS 81 Ca 0.22 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 2qsp h LYS 81 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2qsp h LYS 81 CO -0.03 0.30 -0.28 0.78 -2.27 0.00 0.00 179.45 177.95 2qsp h GLY 82 N 0.46 1.07 1.00 5.01 0.00 -1.91 -2.27 103.07 106.42 2qsp h GLY 82 Ca 0.18 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 2qsp h GLY 82 CO -0.11 0.91 0.37 -0.84 0.00 0.00 0.00 176.54 176.86 2qsp h THR 83 N 0.83 1.19 -0.54 4.70 2.02 -1.00 -3.16 112.91 116.95 2qsp h THR 83 Ca 0.09 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2qsp h THR 83 Cb 0.87 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2qsp h THR 83 CO 0.08 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.66 2qsp n PHE 84 N -4.57 0.72 -0.10 3.16 3.72 -0.76 -4.66 117.46 114.97 2qsp n PHE 84 Ca 0.05 -0.47 -0.06 0.00 -0.05 0.00 0.00 57.45 56.92 2qsp n PHE 84 Cb 0.07 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 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 3.35 0.36 -0.18 4.37 0.00 -1.37 0.38 119.26 126.17 2qsp h ALA 85 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qsp h ALA 85 Cb 0.87 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2qsp h ALA 85 CO 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 179.25 178.86 2qsp h ALA 86 N 1.26 0.25 0.00 0.00 0.00 -1.83 -2.39 119.26 116.56 2qsp h ALA 86 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qsp h ALA 86 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qsp h ALA 86 CO -0.22 0.02 -0.15 -0.07 0.00 0.00 0.00 179.25 178.82 2qsp h LEU 87 N 0.06 0.00 -0.15 0.00 3.38 -1.79 -1.73 115.31 115.09 2qsp h LEU 87 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qsp h LEU 87 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qsp h LEU 87 CO 0.02 0.15 0.04 -1.28 0.09 0.00 0.00 178.44 177.46 2qsp h SER 88 N 0.00 0.22 -0.12 -0.43 0.87 -0.04 -1.07 113.55 112.97 2qsp h SER 88 Ca -0.00 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2qsp h SER 88 Cb 0.27 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2qsp h SER 88 CO 0.02 0.38 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.58 2qsp h GLU 89 N 0.04 -0.02 -0.26 2.24 4.81 -1.01 -0.94 114.58 119.43 2qsp h GLU 89 Ca 0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2qsp h GLU 89 Cb 0.25 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2qsp h GLU 89 CO -0.00 -0.02 -0.00 1.25 -0.73 0.00 0.00 179.01 179.51 2qsp h LEU 90 N -0.03 -0.10 -0.38 1.64 5.85 -1.25 0.16 115.31 121.20 2qsp h LEU 90 Ca 0.06 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 2qsp h LEU 90 Cb 0.12 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2qsp h LEU 90 CO -0.14 -0.02 -0.45 0.45 -0.34 0.00 0.00 178.44 177.94 2qsp h HIS 91 N 0.08 1.08 0.03 1.25 3.86 -1.02 0.90 115.15 121.32 2qsp h HIS 91 Ca 0.12 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2qsp h HIS 91 Cb 0.16 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2qsp h HIS 91 CO -0.20 1.17 -0.01 0.00 0.86 0.00 0.00 177.93 179.74 2qsp h ASP 93 N -0.52 0.73 0.01 0.00 3.32 -0.82 -2.50 116.42 116.64 2qsp h ASP 93 Ca -0.00 -0.32 -0.39 0.00 0.02 0.00 0.00 57.03 56.33 2qsp h ASP 93 Cb 0.03 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 2qsp h ASP 93 CO 0.01 1.04 -2.45 0.29 -1.72 0.00 0.00 179.24 176.40 2qsp n LYS 94 N -4.04 0.66 0.03 3.56 5.02 -0.72 -4.55 118.16 118.12 2qsp n LYS 94 Ca -0.02 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 2qsp n LYS 94 Cb 0.52 -1.53 0.05 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 -3.26 0.63 -3.67 -0.35 4.77 0.23 -4.98 117.00 110.37 2qsp n LEU 95 Ca -0.45 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.28 2qsp n LEU 95 Cb 1.00 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 42.04 2qsp n LEU 95 CO 0.27 0.05 0.18 1.41 -1.33 0.00 0.00 177.39 177.97 2qsp n HIS 96 N -1.93 -2.62 -2.97 -1.77 8.25 -0.67 -4.96 115.22 108.55 2qsp n HIS 96 Ca 0.02 0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 58.05 2qsp n HIS 96 Cb 0.43 -4.75 -0.05 0.00 1.12 0.00 0.00 29.99 26.74 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 -3.34 4.90 0.23 1.59 1.01 -0.19 -5.01 120.40 119.59 2qsp s VAL 97 Ca 0.51 1.44 -0.32 0.00 0.00 0.00 0.00 61.98 63.62 2qsp s VAL 97 Cb -0.24 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 2qsp s VAL 97 CO 0.76 -0.00 1.69 -0.67 0.00 0.00 0.00 175.10 176.88 2qsp n ASP 98 N 5.63 3.94 0.33 3.32 -0.08 -1.26 -4.65 116.55 123.77 2qsp n ASP 98 Ca 0.03 1.08 0.21 0.00 -1.51 0.00 0.00 54.79 54.60 2qsp n ASP 98 Cb 0.48 -1.58 1.11 0.00 2.34 0.00 0.00 41.12 43.47 2qsp n ASP 98 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2qsp h PRO 99 N 6.26 0.00 -0.57 -0.67 0.13 -1.96 -0.37 132.00 134.81 2qsp h PRO 99 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 2qsp h PRO 99 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2qsp h PRO 99 CO 0.91 0.00 0.39 1.49 -0.23 0.00 0.00 178.00 180.57 2qsp h GLU 100 N 0.00 0.21 0.00 0.86 4.57 -1.99 -1.32 114.58 116.91 2qsp h GLU 100 Ca 0.01 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 2qsp h GLU 100 Cb 0.14 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2qsp h GLU 100 CO -0.00 0.14 -0.26 -0.91 -1.18 0.00 0.00 179.01 176.80 2qsp h ASN 101 N 0.22 0.00 -0.61 1.04 2.35 -1.42 -2.04 115.58 115.11 2qsp h ASN 101 Ca 0.27 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 2qsp h ASN 101 Cb 0.78 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2qsp h ASN 101 CO -0.05 0.26 0.25 -0.26 -1.65 0.00 0.00 177.43 175.98 2qsp h PHE 102 N 0.00 0.95 -0.38 1.19 0.04 -1.39 -0.89 116.94 116.47 2qsp h PHE 102 Ca -0.00 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 2qsp h PHE 102 Cb 0.58 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2qsp h PHE 102 CO 0.00 0.73 -0.03 0.87 -0.60 0.00 0.00 178.31 179.28 2qsp h LYS 103 N 0.93 0.69 -0.49 1.51 1.57 -1.46 -1.89 116.57 117.43 2qsp h LYS 103 Ca 0.22 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2qsp h LYS 103 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2qsp h LYS 103 CO -0.02 0.81 0.29 -0.07 -0.57 0.00 0.00 179.45 179.89 2qsp h LEU 104 N 0.50 0.47 -0.55 2.94 3.38 -1.08 -1.63 115.31 119.33 2qsp h LEU 104 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2qsp h LEU 104 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2qsp h LEU 104 CO 0.03 0.33 -0.01 0.25 0.09 0.00 0.00 178.44 179.13 2qsp h LEU 105 N 0.58 0.97 -0.91 1.67 5.85 -1.14 -0.40 115.31 121.93 2qsp h LEU 105 Ca 0.20 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2qsp h LEU 105 Cb 0.02 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 2qsp h LEU 105 CO -0.09 1.04 0.57 1.23 -0.34 0.00 0.00 178.44 180.85 2qsp h GLY 106 N 0.87 1.38 1.12 3.75 0.00 -1.14 0.12 103.07 109.17 2qsp h GLY 106 Ca 0.16 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 2qsp h GLY 106 CO 0.03 0.27 -0.66 3.43 0.00 0.00 0.00 176.54 179.61 2qsp h ASN 107 N 1.02 0.91 -0.58 0.19 -0.26 -0.89 -1.54 115.58 114.43 2qsp h ASN 107 Ca 0.40 -0.60 0.06 0.00 -0.56 0.00 0.00 56.30 55.60 2qsp h ASN 107 Cb 0.20 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 37.14 2qsp h ASN 107 CO -0.18 1.35 0.29 0.58 -1.06 0.00 0.00 177.43 178.41 2qsp h VAL 108 N 0.52 0.93 -0.57 2.81 2.07 -0.83 -0.27 116.25 120.90 2qsp h VAL 108 Ca -0.03 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.38 2qsp h VAL 108 Cb 1.28 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2qsp h VAL 108 CO 0.14 0.10 0.24 0.25 0.02 0.00 0.00 177.57 178.32 2qsp h LEU 109 N 0.55 0.28 -0.65 2.57 5.85 -0.77 0.12 115.31 123.25 2qsp h LEU 109 Ca 0.27 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2qsp h LEU 109 Cb 0.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2qsp h LEU 109 CO -0.19 0.18 0.40 0.58 -0.34 0.00 0.00 178.44 179.06 2qsp h VAL 110 N 0.44 1.19 -0.62 1.05 2.07 -0.63 -0.03 116.25 119.72 2qsp h VAL 110 Ca 0.28 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2qsp h VAL 110 Cb 0.29 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2qsp h VAL 110 CO -0.25 0.19 0.36 0.58 0.02 0.00 0.00 177.57 178.47 2qsp h VAL 111 N 0.88 1.03 -0.57 2.57 2.07 -0.24 0.73 116.25 122.73 2qsp h VAL 111 Ca 0.23 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2qsp h VAL 111 Cb -0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2qsp h VAL 111 CO -0.04 0.13 0.26 0.58 0.02 0.00 0.00 177.57 178.52 2qsp h VAL 112 N 0.70 1.21 -0.69 2.57 2.07 -0.08 0.09 116.25 122.12 2qsp h VAL 112 Ca 0.26 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2qsp h VAL 112 Cb 0.08 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2qsp h VAL 112 CO -0.13 0.24 0.45 -0.07 0.02 0.00 0.00 177.57 178.08 2qsp h LEU 113 N 0.77 0.81 -0.53 2.57 3.38 -0.46 -0.72 115.31 121.12 2qsp h LEU 113 Ca 0.19 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2qsp h LEU 113 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2qsp h LEU 113 CO -0.02 0.60 0.17 0.00 0.09 0.00 0.00 178.44 179.28 2qsp h ALA 114 N 1.24 0.70 -0.73 1.53 0.00 -0.50 -1.33 119.26 120.17 2qsp h ALA 114 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2qsp h ALA 114 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2qsp h ALA 114 CO -0.05 0.36 0.26 -0.09 0.00 0.00 0.00 179.25 179.73 2qsp h ARG 115 N 0.74 1.11 0.00 0.00 2.43 -0.47 -3.12 114.38 115.07 2qsp h ARG 115 Ca 0.17 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 2qsp h ARG 115 Cb 0.28 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2qsp h ARG 115 CO -0.01 0.93 -0.80 -0.91 -1.51 0.00 0.00 179.97 177.68 2qsp h ASN 116 N 1.06 0.00 -0.05 -3.80 2.35 -0.96 -3.39 115.58 110.79 2qsp h ASN 116 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2qsp h ASN 116 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2qsp h ASN 116 CO -0.01 0.80 0.00 0.49 -1.65 0.00 0.00 177.43 177.05 2qsp n PHE 117 N -3.42 0.06 -4.00 1.19 0.99 -0.52 -5.08 117.46 106.68 2qsp n PHE 117 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 2qsp n PHE 117 Cb 0.81 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 39.28 2qsp n PHE 117 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qsp n GLY 118 N 0.05 1.94 0.27 1.37 0.00 -1.19 -3.51 105.19 104.12 2qsp n GLY 118 Ca 0.03 -0.46 0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.98 -1.27 116.57 117.03 2qsp h LYS 119 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2qsp h LYS 119 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qsp h LYS 119 CO 0.00 0.05 -0.06 0.93 -2.00 0.00 0.00 179.45 178.38 2qsp h GLU 120 N 0.00 0.00 -4.16 0.07 5.08 -2.00 -3.31 114.58 110.25 2qsp h GLU 120 Ca -0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 2qsp h GLU 120 Cb 0.48 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.61 2qsp h GLU 120 CO 0.01 0.06 2.21 0.34 -1.00 0.00 0.00 179.01 180.63 2qsp n PHE 121 N -3.63 3.69 -1.28 4.33 7.35 -0.48 -4.87 117.46 122.57 2qsp n PHE 121 Ca -0.02 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.41 2qsp n PHE 121 Cb 0.16 -2.24 0.12 0.00 0.35 0.00 0.00 39.48 37.87 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 1.81 2.89 0.26 -2.13 -4.23 -1.25 -4.67 115.64 108.34 2qsp s THR 122 Ca 0.44 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.23 2qsp s THR 122 Cb 0.08 -2.82 0.24 0.00 1.34 0.00 0.00 72.50 71.34 2qsp s THR 122 CO -0.01 -0.38 1.77 -0.65 -0.54 0.00 0.00 174.62 174.81 2qsp h PRO 123 N -1.37 0.65 -0.35 3.99 0.11 -1.93 0.15 132.00 133.25 2qsp h PRO 123 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2qsp h PRO 123 Cb 1.27 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2qsp h PRO 123 CO 0.55 0.43 0.17 0.28 -0.21 0.00 0.00 178.00 179.21 2qsp h VAL 124 N 0.66 1.16 -0.36 3.15 2.07 -1.98 -1.31 116.25 119.64 2qsp h VAL 124 Ca 0.46 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2qsp h VAL 124 Cb 0.63 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2qsp h VAL 124 CO -0.35 0.17 -0.06 0.25 0.02 0.00 0.00 177.57 177.60 2qsp h LEU 125 N 0.42 0.69 -0.86 2.57 5.85 -1.77 -2.13 115.31 120.08 2qsp h LEU 125 Ca 0.12 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2qsp h LEU 125 Cb 0.11 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2qsp h LEU 125 CO -0.02 0.87 0.53 -0.61 -0.34 0.00 0.00 178.44 178.88 2qsp h GLN 126 N 0.49 0.95 -0.80 1.25 4.15 -0.66 -0.97 115.11 119.51 2qsp h GLN 126 Ca 0.10 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2qsp h GLN 126 Cb 0.56 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 2qsp h GLN 126 CO 0.03 0.63 0.34 0.00 -1.93 0.00 0.00 178.83 177.90 2qsp h ALA 127 N 1.40 1.09 -0.21 3.38 0.00 -0.96 0.16 119.26 124.13 2qsp h ALA 127 Ca 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qsp h ALA 127 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qsp h ALA 127 CO -0.17 0.66 0.05 -0.44 0.00 0.00 0.00 179.25 179.35 2qsp h ASP 128 N 1.16 0.03 -0.52 0.00 3.32 -0.76 -2.43 116.42 117.22 2qsp h ASP 128 Ca 0.27 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2qsp h ASP 128 Cb 0.18 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2qsp h ASP 128 CO -0.03 0.05 0.31 -0.26 -1.72 0.00 0.00 179.24 177.59 2qsp h PHE 129 N 0.14 0.71 -0.95 4.55 0.04 -0.46 -2.18 116.94 118.78 2qsp h PHE 129 Ca 0.09 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.91 2qsp h PHE 129 Cb 0.08 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 37.94 2qsp h PHE 129 CO -0.14 0.48 0.62 1.96 -0.60 0.00 0.00 178.31 180.64 2qsp h GLN 130 N 0.74 1.13 -0.59 1.51 1.08 -0.26 -0.21 115.11 118.51 2qsp h GLN 130 Ca 0.19 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2qsp h GLN 130 Cb -0.01 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.14 2qsp h GLN 130 CO -0.03 0.75 0.27 0.87 -0.95 0.00 0.00 178.83 179.73 2qsp h LYS 131 N 1.16 0.86 0.03 1.46 1.57 -0.96 -0.67 116.57 120.02 2qsp h LYS 131 Ca 0.39 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2qsp h LYS 131 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2qsp h LYS 131 CO -0.13 0.71 -0.02 0.28 -0.57 0.00 0.00 179.45 179.72 2qsp h VAL 132 N 0.80 1.11 -0.18 0.50 2.07 -0.78 -0.30 116.25 119.48 2qsp h VAL 132 Ca 0.20 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 2qsp h VAL 132 Cb 0.15 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2qsp h VAL 132 CO -0.02 0.11 -0.19 -0.37 0.02 0.00 0.00 177.57 177.12 2qsp h VAL 133 N -0.24 1.22 -0.57 2.57 -1.51 -1.04 -0.48 116.25 116.20 2qsp h VAL 133 Ca -0.00 -1.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.37 2qsp h VAL 133 Cb 0.22 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 2qsp h VAL 133 CO 0.01 0.31 0.01 0.00 -1.23 0.00 0.00 177.57 176.67 2qsp h ALA 134 N 1.53 0.93 -0.20 5.19 0.00 -0.95 -0.91 119.26 124.84 2qsp h ALA 134 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2qsp h ALA 134 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qsp h ALA 134 CO 0.03 0.64 0.03 0.78 0.00 0.00 0.00 179.25 180.74 2qsp h GLY 135 N 1.00 0.36 0.84 0.00 0.00 -0.45 -0.74 103.07 104.08 2qsp h GLY 135 Ca 0.17 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2qsp h GLY 135 CO 0.03 0.22 0.39 -2.08 0.00 0.00 0.00 176.54 175.10 2qsp h VAL 136 N 0.13 1.06 -0.59 4.60 2.07 -1.04 -1.22 116.25 121.26 2qsp h VAL 136 Ca 0.06 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 2qsp h VAL 136 Cb 0.32 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2qsp h VAL 136 CO 0.00 0.14 0.01 0.00 0.02 0.00 0.00 177.57 177.74 2qsp h ALA 137 N 1.29 0.79 -0.76 1.67 0.00 -1.05 -1.11 119.26 120.08 2qsp h ALA 137 Ca 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2qsp h ALA 137 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2qsp h ALA 137 CO -0.12 0.62 0.32 -0.97 0.00 0.00 0.00 179.25 179.10 2qsp h ASN 138 N 0.92 1.04 -0.61 0.00 -0.73 -0.99 -1.45 115.58 113.76 2qsp h ASN 138 Ca 0.17 -0.16 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 2qsp h ASN 138 Cb 0.54 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 2qsp h ASN 138 CO 0.03 0.91 0.05 0.00 -0.37 0.00 0.00 177.43 178.05 2qsp h ALA 139 N 1.17 0.90 -0.22 1.57 0.00 -1.02 -2.55 119.26 119.11 2qsp h ALA 139 Ca 0.26 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2qsp h ALA 139 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qsp h ALA 139 CO -0.02 0.66 -0.34 -0.07 0.00 0.00 0.00 179.25 179.47 2qsp h LEU 140 N 0.98 0.49 -0.48 0.00 3.38 -1.12 -3.11 115.31 115.45 2qsp h LEU 140 Ca 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qsp h LEU 140 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qsp h LEU 140 CO 0.02 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2qsp h ALA 141 N 1.23 1.00 -0.91 1.53 0.00 -0.99 -3.39 119.26 117.73 2qsp h ALA 141 Ca 0.05 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.22 2qsp h ALA 141 Cb 0.79 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 2qsp h ALA 141 CO 0.06 0.00 0.30 1.25 0.00 0.00 0.00 179.25 180.87 2qsp h HIS 142 N 0.00 0.47 0.00 0.00 6.17 -1.39 0.53 115.15 120.93 2qsp h HIS 142 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2qsp h HIS 142 Cb 0.60 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.47 2qsp h HIS 142 CO 0.00 -0.22 0.00 0.54 0.71 0.00 0.00 177.93 178.96 2qsp n ARG 143 N -5.20 0.32 0.05 5.26 5.12 -1.26 -0.15 116.66 120.80 2qsp n ARG 143 Ca 0.24 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 2qsp n ARG 143 Cb 0.77 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.50 2qsp n ARG 143 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 2qsp h TYR 144 N 0.00 0.00 -0.02 -1.55 -0.00 -0.25 -3.48 116.97 111.67 2qsp h TYR 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2qsp h TYR 144 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.79 2qsp h TYR 144 CO 0.00 0.57 0.00 0.72 -0.00 0.00 0.00 178.16 179.45