#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 4.35 0.81 6.55 1.43 -1.26 -5.02 118.68 125.55 2qsp s LEU 2 Ca 0.00 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 2qsp s LEU 2 Cb 0.00 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.73 2qsp s LEU 2 CO 0.00 -0.84 1.09 -0.94 0.23 0.00 0.00 176.35 175.89 2qsp s SER 3 N 2.19 4.19 0.34 2.29 1.04 -1.26 -4.85 113.70 117.64 2qsp s SER 3 Ca 0.71 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.91 2qsp s SER 3 Cb -0.38 -2.40 0.76 0.00 0.10 0.00 0.00 66.02 64.11 2qsp s SER 3 CO 0.31 -2.21 1.86 0.00 0.98 0.00 0.00 173.24 174.17 2qsp h ALA 4 N -1.25 1.76 -0.21 5.32 0.00 -1.99 -0.61 119.26 122.28 2qsp h ALA 4 Ca -0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2qsp h ALA 4 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2qsp h ALA 4 CO 0.53 -0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.86 2qsp h ALA 5 N 1.59 0.27 -0.64 0.00 0.00 -1.99 -1.20 119.26 117.29 2qsp h ALA 5 Ca 0.47 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2qsp h ALA 5 Cb 0.69 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2qsp h ALA 5 CO -0.23 -0.16 0.34 -0.44 0.00 0.00 0.00 179.25 178.76 2qsp h ASP 6 N 0.19 0.49 -0.74 0.00 3.32 -1.79 -0.07 116.42 117.83 2qsp h ASP 6 Ca 0.07 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2qsp h ASP 6 Cb 0.14 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2qsp h ASP 6 CO -0.01 0.32 0.26 0.11 -1.72 0.00 0.00 179.24 178.20 2qsp h LYS 7 N 0.63 1.13 -0.40 3.56 1.57 -0.90 0.91 116.57 123.08 2qsp h LYS 7 Ca 0.29 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2qsp h LYS 7 Cb 0.19 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2qsp h LYS 7 CO -0.19 0.95 0.11 0.78 -0.57 0.00 0.00 179.45 180.53 2qsp h GLY 8 N 1.09 0.49 1.00 3.86 0.00 -0.60 -1.51 103.07 107.40 2qsp h GLY 8 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2qsp h GLY 8 CO -0.01 -0.00 0.34 3.43 0.00 0.00 0.00 176.54 180.30 2qsp h ASN 9 N 0.26 0.64 -0.12 0.19 -0.26 -0.58 -1.39 115.58 114.31 2qsp h ASN 9 Ca 0.19 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2qsp h ASN 9 Cb 0.20 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2qsp h ASN 9 CO -0.22 0.49 0.04 0.58 -1.06 0.00 0.00 177.43 177.25 2qsp h VAL 10 N 0.73 1.18 -0.70 2.81 2.07 -0.62 -0.83 116.25 120.89 2qsp h VAL 10 Ca 0.20 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2qsp h VAL 10 Cb -0.05 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2qsp h VAL 10 CO -0.04 0.16 0.28 0.11 0.02 0.00 0.00 177.57 178.10 2qsp h LYS 11 N 0.00 1.05 -0.38 1.57 1.57 -1.18 -0.72 116.57 118.48 2qsp h LYS 11 Ca 0.04 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2qsp h LYS 11 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2qsp h LYS 11 CO -0.00 0.87 -0.08 0.00 -0.57 0.00 0.00 179.45 179.67 2qsp h ALA 12 N 1.13 0.52 -0.58 3.86 0.00 -1.15 -0.18 119.26 122.86 2qsp h ALA 12 Ca 0.23 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2qsp h ALA 12 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qsp h ALA 12 CO -0.02 0.37 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2qsp h ALA 13 N 0.84 0.78 -0.14 0.00 0.00 -0.96 -2.06 119.26 117.72 2qsp h ALA 13 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2qsp h ALA 13 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qsp h ALA 13 CO 0.04 0.52 -0.44 2.35 0.00 0.00 0.00 179.25 181.71 2qsp h TRP 14 N 0.86 0.40 -0.72 0.00 2.91 -0.98 -1.25 115.95 117.18 2qsp h TRP 14 Ca 0.18 -0.12 0.10 0.00 1.13 0.00 0.00 58.89 60.18 2qsp h TRP 14 Cb 0.41 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 28.90 2qsp h TRP 14 CO 0.03 0.73 0.35 0.78 -1.03 0.00 0.00 178.44 179.30 2qsp h GLY 15 N 1.21 1.09 1.56 2.65 0.00 -0.79 -2.21 103.07 106.59 2qsp h GLY 15 Ca 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2qsp h GLY 15 CO 0.07 0.04 -0.18 0.50 0.00 0.00 0.00 176.54 176.98 2qsp h LYS 16 N 0.59 0.52 -0.92 4.80 1.79 -0.58 -1.53 116.57 121.25 2qsp h LYS 16 Ca 0.36 -0.17 0.09 0.00 -2.18 0.00 0.00 60.65 58.75 2qsp h LYS 16 Cb 0.40 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.94 2qsp h LYS 16 CO -0.28 0.68 0.59 0.28 -1.08 0.00 0.00 179.45 179.64 2qsp h VAL 17 N 0.47 0.98 0.00 0.50 2.07 -0.68 -3.45 116.25 116.15 2qsp h VAL 17 Ca 0.08 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2qsp h VAL 17 Cb 0.58 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2qsp h VAL 17 CO 0.04 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.41 2qsp n GLY 18 N -1.39 3.46 0.00 2.17 0.00 -0.58 -1.51 105.19 107.34 2qsp n GLY 18 Ca 0.15 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2qsp n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qsp n GLY 19 N 0.00 -0.97 1.13 -0.02 0.00 -1.26 -3.68 105.19 100.40 2qsp n GLY 19 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2qsp n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qsp n HIS 20 N -0.76 0.59 0.08 1.61 8.25 -0.57 -4.65 115.22 119.76 2qsp n HIS 20 Ca 0.12 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 2qsp n HIS 20 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 2qsp n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qsp h ALA 21 N 4.41 -0.42 -0.71 -1.41 0.00 -1.72 -0.57 119.26 118.84 2qsp h ALA 21 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qsp h ALA 21 Cb 0.92 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2qsp h ALA 21 CO 0.00 -0.80 0.46 0.00 0.00 0.00 0.00 179.25 178.91 2qsp h ALA 22 N 0.31 0.92 -0.48 0.00 0.00 -1.86 -0.83 119.26 117.31 2qsp h ALA 22 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qsp h ALA 22 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qsp h ALA 22 CO -0.22 0.28 0.29 1.49 0.00 0.00 0.00 179.25 181.09 2qsp h GLU 23 N 0.93 0.56 -0.08 0.00 4.81 -1.80 -1.71 114.58 117.28 2qsp h GLU 23 Ca 0.27 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2qsp h GLU 23 Cb -0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2qsp h GLU 23 CO -0.08 0.37 -0.48 1.88 -0.73 0.00 0.00 179.01 179.97 2qsp h TYR 24 N 0.57 0.25 -0.55 0.92 0.05 -0.77 -1.41 116.97 116.04 2qsp h TYR 24 Ca 0.19 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 2qsp h TYR 24 Cb 0.02 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2qsp h TYR 24 CO -0.07 0.65 -0.01 0.78 -1.05 0.00 0.00 178.16 178.47 2qsp h GLY 25 N 1.33 1.05 1.01 3.88 0.00 -0.94 0.02 103.07 109.41 2qsp h GLY 25 Ca 0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 2qsp h GLY 25 CO 0.07 0.72 -0.03 0.00 0.00 0.00 0.00 176.54 177.30 2qsp h ALA 26 N 0.96 0.64 -0.63 3.60 0.00 -1.09 -2.05 119.26 120.68 2qsp h ALA 26 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2qsp h ALA 26 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2qsp h ALA 26 CO 0.03 0.47 0.06 1.49 0.00 0.00 0.00 179.25 181.30 2qsp h GLU 27 N 0.70 1.08 -0.72 0.00 4.81 -1.07 -1.64 114.58 117.74 2qsp h GLU 27 Ca 0.13 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2qsp h GLU 27 Cb 0.55 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2qsp h GLU 27 CO 0.03 1.02 0.30 0.00 -0.73 0.00 0.00 179.01 179.63 2qsp h ALA 28 N 1.02 1.18 -0.24 2.92 0.00 -0.85 0.03 119.26 123.32 2qsp h ALA 28 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qsp h ALA 28 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qsp h ALA 28 CO 0.02 0.60 0.08 -0.07 0.00 0.00 0.00 179.25 179.88 2qsp h LEU 29 N 1.03 0.35 -0.50 0.00 3.38 -1.14 -0.10 115.31 118.34 2qsp h LEU 29 Ca 0.24 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qsp h LEU 29 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qsp h LEU 29 CO -0.02 0.46 0.29 -0.08 0.09 0.00 0.00 178.44 179.17 2qsp h GLU 30 N 0.23 0.56 -0.52 1.13 4.81 -0.66 0.03 114.58 120.17 2qsp h GLU 30 Ca 0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2qsp h GLU 30 Cb 0.23 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2qsp h GLU 30 CO -0.00 0.37 0.17 0.00 -0.73 0.00 0.00 179.01 178.82 2qsp h ARG 31 N 0.58 0.77 0.08 1.92 3.08 -0.87 -0.51 114.38 119.42 2qsp h ARG 31 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2qsp h ARG 31 Cb 0.03 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2qsp h ARG 31 CO -0.10 0.66 -0.04 1.98 -1.07 0.00 0.00 179.97 181.41 2qsp h MET 32 N 0.75 -0.11 -0.86 0.04 4.05 -0.25 -0.17 114.93 118.38 2qsp h MET 32 Ca 0.17 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 2qsp h MET 32 Cb 0.21 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 2qsp h MET 32 CO -0.01 0.13 0.56 0.74 0.23 0.00 0.00 176.91 178.56 2qsp h PHE 33 N -0.33 1.05 -0.05 1.39 0.04 -0.71 0.98 116.94 119.30 2qsp h PHE 33 Ca -0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 2qsp h PHE 33 Cb 0.28 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2qsp h PHE 33 CO 0.00 0.62 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.95 2qsp h LEU 34 N 1.10 0.37 -0.52 1.54 3.38 -1.11 -3.12 115.31 116.94 2qsp h LEU 34 Ca 0.34 -0.67 -0.16 0.00 0.09 0.00 0.00 57.88 57.48 2qsp h LEU 34 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2qsp h LEU 34 CO -0.11 0.98 -0.63 0.28 0.09 0.00 0.00 178.44 179.05 2qsp h SER 35 N -0.21 0.46 -2.44 -0.43 0.02 -0.97 -3.38 113.55 106.59 2qsp h SER 35 Ca -0.02 -0.27 -0.59 0.00 -0.84 0.00 0.00 61.79 60.06 2qsp h SER 35 Cb 0.98 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 62.98 2qsp h SER 35 CO 0.06 0.97 -0.81 0.49 -1.14 0.00 0.00 176.83 176.41 2qsp n PHE 36 N -3.89 1.34 -0.28 3.45 3.72 0.33 -4.97 117.46 117.16 2qsp n PHE 36 Ca -0.03 -3.82 0.34 0.00 -0.05 0.00 0.00 57.45 53.88 2qsp n PHE 36 Cb 0.64 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.62 2qsp n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2qsp h PRO 37 N 4.88 0.00 0.00 -1.08 0.11 -1.73 -1.29 132.00 132.89 2qsp h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qsp h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2qsp h PRO 37 CO 0.59 0.00 -0.02 1.15 -0.21 0.00 0.00 178.00 179.51 2qsp h THR 38 N 0.00 0.07 0.00 -1.15 2.02 -1.92 -0.91 112.91 111.02 2qsp h THR 38 Ca 0.53 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2qsp h THR 38 Cb 2.20 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 2qsp h THR 38 CO -0.01 0.02 0.00 0.71 0.37 0.00 0.00 175.52 176.61 2qsp h THR 39 N 0.00 0.00 0.00 3.16 1.35 -1.55 -3.05 112.91 112.81 2qsp h THR 39 Ca -0.00 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 2qsp h THR 39 Cb 0.36 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2qsp h THR 39 CO 0.00 0.00 -0.10 0.11 -0.25 0.00 0.00 175.52 175.28 2qsp h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.33 -2.85 116.57 118.68 2qsp h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qsp h LYS 40 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2qsp h LYS 40 CO 0.00 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.23 2qsp n THR 41 N -3.49 0.88 0.88 -0.16 -2.24 -1.15 -1.45 114.28 107.55 2qsp n THR 41 Ca -0.01 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2qsp n THR 41 Cb 0.24 -0.95 0.52 0.00 -2.10 0.00 0.00 70.33 68.05 2qsp n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qsp n TYR 42 N -1.52 0.28 -2.70 4.78 4.01 -1.07 -4.28 117.16 116.65 2qsp n TYR 42 Ca 0.04 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.65 2qsp n TYR 42 Cb 0.19 -0.62 -0.00 0.00 -0.31 0.00 0.00 39.34 38.60 2qsp n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qsp n PHE 43 N -1.74 2.61 0.40 -0.72 3.01 -0.53 -4.87 117.46 115.63 2qsp n PHE 43 Ca 0.06 -3.30 0.12 0.00 1.01 0.00 0.00 57.45 55.35 2qsp n PHE 43 Cb 0.37 -0.28 0.50 0.00 -0.01 0.00 0.00 39.48 40.06 2qsp n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qsp h PRO 44 N 2.82 0.00 -0.01 -1.08 0.13 -1.74 -1.76 132.00 130.35 2qsp h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qsp h PRO 44 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qsp h PRO 44 CO 0.72 0.00 -0.24 -2.39 -0.23 0.00 0.00 178.00 175.86 2qsp n HIS 45 N -2.32 0.00 -3.62 1.56 1.44 -1.26 -4.88 115.22 106.14 2qsp n HIS 45 Ca 0.02 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.39 2qsp n HIS 45 Cb 0.25 -0.17 -0.05 0.00 0.12 0.00 0.00 29.99 30.14 2qsp n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qsp s PHE 46 N -2.58 3.57 -0.27 -1.40 0.40 -0.66 -5.05 117.98 111.99 2qsp s PHE 46 Ca 0.23 0.72 -0.29 0.00 -0.60 0.00 0.00 56.93 57.00 2qsp s PHE 46 Cb 0.19 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 2qsp s PHE 46 CO 0.53 0.53 1.32 0.34 0.70 0.00 0.00 175.22 178.64 2qsp s ASP 47 N -1.82 6.70 -0.00 1.36 2.15 -1.26 -4.92 116.67 118.89 2qsp s ASP 47 Ca 0.33 1.33 0.22 0.00 0.43 0.00 0.00 52.55 54.86 2qsp s ASP 47 Cb -0.14 -2.54 0.64 0.00 -0.30 0.00 0.00 42.92 40.59 2qsp s ASP 47 CO 0.18 -1.03 1.53 0.18 -0.17 0.00 0.00 175.17 175.86 2qsp n LEU 48 N 7.49 3.88 -4.74 -1.34 4.77 -1.26 -4.46 117.00 121.35 2qsp n LEU 48 Ca 0.15 -1.94 -0.34 0.00 -0.03 0.00 0.00 56.01 53.84 2qsp n LEU 48 Cb 0.46 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2qsp n LEU 48 CO 0.62 0.97 0.79 -0.94 -1.33 0.00 0.00 177.39 177.50 2qsp s SER 49 N -1.00 4.65 0.08 -1.43 1.04 -1.26 -4.88 113.70 110.89 2qsp s SER 49 Ca 0.49 2.28 -0.37 0.00 0.48 0.00 0.00 55.95 58.82 2qsp s SER 49 Cb 0.25 -2.58 -0.17 0.00 0.10 0.00 0.00 66.02 63.62 2qsp s SER 49 CO 0.33 -1.95 1.36 1.57 0.98 0.00 0.00 173.24 175.53 2qsp n HIS 50 N -2.38 1.55 -1.00 5.02 -0.00 -1.26 -1.66 115.22 115.48 2qsp n HIS 50 Ca 0.13 0.63 0.00 0.00 0.46 0.00 0.00 57.72 58.93 2qsp n HIS 50 Cb 0.50 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 2qsp n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qsp n GLY 51 N 2.60 0.53 3.76 1.57 0.00 -1.26 -5.01 105.19 107.38 2qsp n GLY 51 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2qsp n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qsp s SER 52 N -2.09 5.21 0.27 1.61 1.04 -0.67 -4.87 113.70 114.20 2qsp s SER 52 Ca 0.00 2.24 0.03 0.00 0.48 0.00 0.00 55.95 58.71 2qsp s SER 52 Cb 0.00 -2.58 0.38 0.00 0.10 0.00 0.00 66.02 63.92 2qsp s SER 52 CO 0.00 -1.57 1.68 0.00 0.98 0.00 0.00 173.24 174.33 2qsp h ALA 53 N 0.66 1.04 -0.50 5.32 0.00 -1.91 -1.25 119.26 122.62 2qsp h ALA 53 Ca -0.49 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2qsp h ALA 53 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2qsp h ALA 53 CO 0.55 0.59 0.14 1.96 0.00 0.00 0.00 179.25 182.49 2qsp h GLN 54 N 0.33 0.79 -0.32 0.00 4.20 -1.91 0.12 115.11 118.32 2qsp h GLN 54 Ca 0.04 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 2qsp h GLN 54 Cb 0.80 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2qsp h GLN 54 CO 0.06 0.75 -0.39 0.28 -0.67 0.00 0.00 178.83 178.87 2qsp h VAL 55 N 0.69 1.29 -0.58 -0.54 2.07 -1.73 0.77 116.25 118.21 2qsp h VAL 55 Ca 0.16 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2qsp h VAL 55 Cb 0.30 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2qsp h VAL 55 CO -0.00 0.51 0.29 0.50 0.02 0.00 0.00 177.57 178.89 2qsp h LYS 56 N 0.62 0.83 -0.18 1.57 3.64 -0.96 0.19 116.57 122.28 2qsp h LYS 56 Ca 0.05 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 2qsp h LYS 56 Cb 0.94 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2qsp h LYS 56 CO 0.09 0.66 -0.62 0.78 -2.27 0.00 0.00 179.45 178.08 2qsp h GLY 57 N 0.79 0.68 1.10 5.01 0.00 -0.50 -2.48 103.07 107.68 2qsp h GLY 57 Ca 0.20 -0.85 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 2qsp h GLY 57 CO -0.03 0.76 -0.16 0.84 0.00 0.00 0.00 176.54 177.95 2qsp h HIS 58 N 0.46 1.15 -0.58 5.60 -0.00 -0.64 -2.54 115.15 118.61 2qsp h HIS 58 Ca -0.01 -0.26 0.11 0.00 -0.00 0.00 0.00 60.37 60.21 2qsp h HIS 58 Cb 1.20 -0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 28.25 2qsp h HIS 58 CO 0.06 1.09 0.11 0.78 -0.00 0.00 0.00 177.93 179.97 2qsp h GLY 59 N 0.89 0.72 1.02 5.26 0.00 -0.56 0.09 103.07 110.48 2qsp h GLY 59 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2qsp h GLY 59 CO 0.06 -0.11 0.43 0.00 0.00 0.00 0.00 176.54 176.92 2qsp h ALA 60 N 1.47 1.04 -0.49 3.60 0.00 -1.29 -0.27 119.26 123.32 2qsp h ALA 60 Ca 0.30 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2qsp h ALA 60 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qsp h ALA 60 CO -0.40 0.56 -0.06 0.87 0.00 0.00 0.00 179.25 180.22 2qsp h LYS 61 N 1.13 0.91 -0.18 0.00 1.57 -0.98 0.24 116.57 119.26 2qsp h LYS 61 Ca 0.28 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qsp h LYS 61 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2qsp h LYS 61 CO -0.04 0.97 0.10 0.28 -0.57 0.00 0.00 179.45 180.19 2qsp h VAL 62 N 0.76 1.09 -0.47 0.50 2.07 -0.79 -1.77 116.25 117.64 2qsp h VAL 62 Ca 0.13 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2qsp h VAL 62 Cb 0.60 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2qsp h VAL 62 CO 0.04 0.09 0.19 0.00 0.02 0.00 0.00 177.57 177.91 2qsp h ALA 63 N 1.00 0.58 -0.32 1.67 0.00 -0.93 -1.15 119.26 120.10 2qsp h ALA 63 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qsp h ALA 63 Cb 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qsp h ALA 63 CO -0.01 -0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.12 2qsp h ALA 64 N 1.29 1.52 -0.54 0.00 0.00 -0.66 -0.03 119.26 120.84 2qsp h ALA 64 Ca 0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2qsp h ALA 64 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qsp h ALA 64 CO -0.20 0.36 -0.08 0.00 0.00 0.00 0.00 179.25 179.33 2qsp h ALA 65 N 1.62 0.73 -0.59 0.00 0.00 -0.56 -1.27 119.26 119.18 2qsp h ALA 65 Ca 0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2qsp h ALA 65 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qsp h ALA 65 CO -0.00 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.87 2qsp h LEU 66 N 0.88 0.97 -0.46 0.00 3.38 -0.51 -1.44 115.31 118.13 2qsp h LEU 66 Ca 0.14 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qsp h LEU 66 Cb 0.64 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qsp h LEU 66 CO 0.04 1.00 0.28 0.74 0.09 0.00 0.00 178.44 180.60 2qsp h THR 67 N 0.90 1.07 -0.70 0.22 2.02 -0.91 0.13 112.91 115.64 2qsp h THR 67 Ca 0.18 -0.20 0.08 0.00 0.77 0.00 0.00 66.41 67.24 2qsp h THR 67 Cb 0.47 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2qsp h THR 67 CO 0.02 0.10 0.38 0.50 0.37 0.00 0.00 175.52 176.89 2qsp h LYS 68 N 0.57 0.65 -0.30 6.66 3.64 -1.03 -1.93 116.57 124.84 2qsp h LYS 68 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2qsp h LYS 68 Cb -0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2qsp h LYS 68 CO -0.07 0.43 0.02 0.00 -2.27 0.00 0.00 179.45 177.56 2qsp h ALA 69 N 1.39 0.40 -0.75 5.00 0.00 -0.43 -2.47 119.26 122.40 2qsp h ALA 69 Ca 0.33 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2qsp h ALA 69 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2qsp h ALA 69 CO -0.22 0.12 0.49 0.28 0.00 0.00 0.00 179.25 179.92 2qsp h VAL 70 N 0.32 0.87 0.00 0.00 2.07 -0.44 0.23 116.25 119.30 2qsp h VAL 70 Ca 0.09 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2qsp h VAL 70 Cb 0.39 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2qsp h VAL 70 CO 0.01 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 2qsp n GLU 71 N -4.50 0.50 -2.65 1.57 1.02 -0.76 -4.09 120.64 111.74 2qsp n GLU 71 Ca 0.13 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 2qsp n GLU 71 Cb 0.42 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2qsp n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qsp n HIS 72 N -1.24 1.55 0.25 -0.32 8.25 0.79 -4.92 115.22 119.58 2qsp n HIS 72 Ca 0.15 -2.61 0.13 0.00 -0.26 0.00 0.00 57.72 55.14 2qsp n HIS 72 Cb 0.21 -0.30 0.56 0.00 1.12 0.00 0.00 29.99 31.59 2qsp n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qsp h LEU 73 N 2.79 0.00 -0.23 2.41 3.38 -1.66 -1.74 115.31 120.26 2qsp h LEU 73 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qsp h LEU 73 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2qsp h LEU 73 CO 0.47 0.12 0.00 0.44 0.09 0.00 0.00 178.44 179.55 2qsp h ASP 74 N 0.00 0.00 -1.54 -0.43 3.32 -1.91 -3.39 116.42 112.47 2qsp h ASP 74 Ca -0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 2qsp h ASP 74 Cb 0.63 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.88 2qsp h ASP 74 CO 0.02 0.00 -0.85 -0.67 -1.72 0.00 0.00 179.24 176.01 2qsp n ASP 75 N -2.66 -1.21 -0.13 6.45 2.03 -0.67 -5.00 116.55 115.37 2qsp n ASP 75 Ca 0.04 -2.76 -0.09 0.00 0.52 0.00 0.00 54.79 52.50 2qsp n ASP 75 Cb 0.43 0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 41.09 2qsp n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qsp h LEU 76 N 4.62 0.52 -0.37 -2.67 3.38 -1.73 -2.10 115.31 116.96 2qsp h LEU 76 Ca 0.08 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qsp h LEU 76 Cb 0.95 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2qsp h LEU 76 CO 0.34 0.48 0.16 -0.65 0.09 0.00 0.00 178.44 178.87 2qsp h PRO 77 N 0.51 0.33 -0.18 1.13 0.11 -1.94 -0.09 132.00 131.86 2qsp h PRO 77 Ca 0.14 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.27 2qsp h PRO 77 Cb 0.10 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2qsp h PRO 77 CO -0.02 0.22 -0.08 0.78 -0.21 0.00 0.00 178.00 178.69 2qsp h GLY 78 N 0.34 0.09 1.22 -0.55 0.00 -1.96 -2.96 103.07 99.25 2qsp h GLY 78 Ca 0.16 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 2qsp h GLY 78 CO -0.13 -0.10 0.21 0.00 0.00 0.00 0.00 176.54 176.52 2qsp h ALA 79 N 1.12 1.15 -0.76 3.60 0.00 -0.64 -3.04 119.26 120.69 2qsp h ALA 79 Ca 0.10 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2qsp h ALA 79 Cb 0.19 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 17.58 2qsp h ALA 79 CO -0.22 0.59 0.30 1.28 0.00 0.00 0.00 179.25 181.21 2qsp n LEU 80 N -4.28 6.15 0.34 0.00 4.77 -0.12 -4.71 117.00 119.14 2qsp n LEU 80 Ca 0.05 -3.21 -0.19 0.00 -0.03 0.00 0.00 56.01 52.64 2qsp n LEU 80 Cb 0.21 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2qsp n LEU 80 CO 0.40 0.82 0.53 0.77 -1.33 0.00 0.00 177.39 178.58 2qsp h SER 81 N 2.54 -1.35 -0.73 -1.43 4.64 -1.40 -1.21 113.55 114.62 2qsp h SER 81 Ca 0.30 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 2qsp h SER 81 Cb 2.38 0.43 -0.03 0.00 -0.31 0.00 0.00 62.40 64.86 2qsp h SER 81 CO 0.77 -0.69 0.30 -0.33 -0.87 0.00 0.00 176.83 176.01 2qsp h GLU 82 N -1.07 1.10 0.00 4.77 4.39 -1.87 -2.40 114.58 119.50 2qsp h GLU 82 Ca -0.08 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 2qsp h GLU 82 Cb 0.90 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2qsp h GLU 82 CO -0.01 0.88 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.32 2qsp h LEU 83 N 1.07 0.00 -0.08 1.33 3.38 -1.88 -1.96 115.31 117.19 2qsp h LEU 83 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2qsp h LEU 83 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qsp h LEU 83 CO -0.02 0.34 -0.05 0.77 0.09 0.00 0.00 178.44 179.56 2qsp h SER 84 N 0.00 0.18 -0.96 -0.43 4.64 -0.71 -1.01 113.55 115.26 2qsp h SER 84 Ca -0.00 -0.45 0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2qsp h SER 84 Cb 0.63 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.61 2qsp h SER 84 CO 0.04 0.59 0.63 -0.78 -0.87 0.00 0.00 176.83 176.44 2qsp h ASP 85 N -0.23 1.00 -0.12 4.97 3.58 -1.43 -1.50 116.42 122.70 2qsp h ASP 85 Ca 0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2qsp h ASP 85 Cb 0.53 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2qsp h ASP 85 CO 0.01 0.66 0.02 0.25 -2.88 0.00 0.00 179.24 177.30 2qsp h LEU 86 N 1.15 0.19 -0.22 2.28 5.85 -1.20 0.73 115.31 124.10 2qsp h LEU 86 Ca 0.41 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 2qsp h LEU 86 Cb 0.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qsp h LEU 86 CO -0.15 0.41 -0.55 0.45 -0.34 0.00 0.00 178.44 178.26 2qsp h HIS 87 N -0.03 0.98 0.00 1.25 3.86 -0.93 -0.43 115.15 119.85 2qsp h HIS 87 Ca 0.04 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2qsp h HIS 87 Cb 0.30 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2qsp h HIS 87 CO 0.02 1.19 -0.00 0.00 0.86 0.00 0.00 177.93 179.99 2qsp h ALA 88 N 0.61 -0.00 0.00 2.45 0.00 -1.35 -0.56 119.26 120.41 2qsp h ALA 88 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2qsp h ALA 88 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qsp h ALA 88 CO 0.12 -0.00 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 2qsp h HIS 89 N -1.00 0.00 0.12 0.00 -0.00 -1.00 -3.15 115.15 110.11 2qsp h HIS 89 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2qsp h HIS 89 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 2qsp h HIS 89 CO 0.17 0.73 -0.06 -0.22 -0.00 0.00 0.00 177.93 178.55 2qsp h LYS 90 N -1.00 -0.15 0.00 5.26 3.64 -1.33 -3.37 116.57 119.61 2qsp h LYS 90 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qsp h LYS 90 Cb 0.73 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2qsp h LYS 90 CO -0.02 0.33 -0.83 -0.07 -2.27 0.00 0.00 179.45 176.59 2qsp h LEU 91 N -0.85 0.00 -1.76 5.20 3.38 -1.14 -3.48 115.31 116.65 2qsp h LEU 91 Ca -0.02 -0.10 -0.48 0.00 0.09 0.00 0.00 57.88 57.37 2qsp h LEU 91 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2qsp h LEU 91 CO 0.03 0.05 -0.86 0.54 0.09 0.00 0.00 178.44 178.29 2qsp n ARG 92 N -2.44 -3.85 -2.32 1.13 5.12 -0.52 -4.86 116.66 108.93 2qsp n ARG 92 Ca 0.01 0.47 -0.42 0.00 -1.93 0.00 0.00 57.85 55.98 2qsp n ARG 92 Cb 0.50 -4.80 -0.03 0.00 -1.16 0.00 0.00 32.46 26.98 2qsp n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qsp s VAL 93 N -3.80 3.94 0.15 1.55 1.01 -0.33 -4.96 120.40 117.96 2qsp s VAL 93 Ca 0.09 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 2qsp s VAL 93 Cb -0.05 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2qsp s VAL 93 CO 0.87 -0.01 1.75 -0.62 0.00 0.00 0.00 175.10 177.09 2qsp s ASP 94 N 1.76 6.45 0.56 3.32 -1.08 -1.26 -4.87 116.67 121.54 2qsp s ASP 94 Ca 0.61 2.75 0.30 0.00 -0.52 0.00 0.00 52.55 55.68 2qsp s ASP 94 Cb -0.28 -2.58 1.46 0.00 -1.46 0.00 0.00 42.92 40.06 2qsp s ASP 94 CO 0.24 -0.96 1.90 -0.65 0.52 0.00 0.00 175.17 176.22 2qsp h PRO 95 N 7.78 0.00 -0.63 4.34 0.11 -2.01 -0.33 132.00 141.27 2qsp h PRO 95 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 2qsp h PRO 95 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2qsp h PRO 95 CO 0.95 0.00 0.42 0.28 -0.21 0.00 0.00 178.00 179.43 2qsp h VAL 96 N 0.00 0.97 0.00 3.15 2.07 -2.02 -2.58 116.25 117.84 2qsp h VAL 96 Ca 0.33 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2qsp h VAL 96 Cb 1.43 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2qsp h VAL 96 CO -0.00 0.10 -0.21 0.78 0.02 0.00 0.00 177.57 178.26 2qsp h ASN 97 N 0.57 0.00 -0.09 0.57 2.35 -1.42 -1.58 115.58 115.98 2qsp h ASN 97 Ca 0.28 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 2qsp h ASN 97 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2qsp h ASN 97 CO -0.09 0.21 -0.08 -0.26 -1.65 0.00 0.00 177.43 175.56 2qsp h PHE 98 N 0.00 0.40 -0.35 1.19 0.04 -1.60 -1.44 116.94 115.18 2qsp h PHE 98 Ca -0.00 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 2qsp h PHE 98 Cb 0.48 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2qsp h PHE 98 CO 0.00 0.46 -0.19 0.87 -0.60 0.00 0.00 178.31 178.86 2qsp h LYS 99 N 0.36 0.65 -0.09 1.51 1.57 -1.38 -1.37 116.57 117.82 2qsp h LYS 99 Ca 0.07 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2qsp h LYS 99 Cb 0.37 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qsp h LYS 99 CO 0.02 0.80 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.46 2qsp h LEU 100 N 0.58 0.30 -0.91 2.94 3.38 -1.33 -0.50 115.31 119.77 2qsp h LEU 100 Ca 0.09 -0.55 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2qsp h LEU 100 Cb 0.64 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2qsp h LEU 100 CO 0.05 0.80 -0.01 0.25 0.09 0.00 0.00 178.44 179.61 2qsp h LEU 101 N -0.19 0.76 -0.28 1.67 5.85 -1.26 -1.56 115.31 120.31 2qsp h LEU 101 Ca 0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2qsp h LEU 101 Cb 0.74 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2qsp h LEU 101 CO 0.04 0.84 0.04 0.28 -0.34 0.00 0.00 178.44 179.30 2qsp h SER 102 N 0.74 0.44 -0.87 1.25 0.02 -1.16 0.15 113.55 114.12 2qsp h SER 102 Ca 0.14 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2qsp h SER 102 Cb 0.46 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2qsp h SER 102 CO 0.02 0.59 0.56 -0.74 -1.14 0.00 0.00 176.83 176.13 2qsp h HIS 103 N 0.27 1.06 -0.89 3.45 -0.00 -1.02 -1.02 115.15 117.01 2qsp h HIS 103 Ca 0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 2qsp h HIS 103 Cb 0.34 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.36 2qsp h HIS 103 CO 0.02 0.63 0.53 0.77 -0.00 0.00 0.00 177.93 179.88 2qsp h SER 104 N 1.11 1.07 -0.61 3.26 0.02 -0.62 -0.48 113.55 117.30 2qsp h SER 104 Ca 0.34 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2qsp h SER 104 Cb -0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2qsp h SER 104 CO -0.10 0.83 0.02 -0.07 -1.14 0.00 0.00 176.83 176.36 2qsp h LEU 105 N 1.22 1.05 -0.51 5.07 3.38 -0.20 -1.85 115.31 123.46 2qsp h LEU 105 Ca 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qsp h LEU 105 Cb -0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2qsp h LEU 105 CO -0.06 1.08 0.19 -0.07 0.09 0.00 0.00 178.44 179.68 2qsp h LEU 106 N 0.98 0.71 -0.47 1.67 3.38 -0.69 -0.25 115.31 120.64 2qsp h LEU 106 Ca 0.18 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qsp h LEU 106 Cb 0.54 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2qsp h LEU 106 CO 0.03 0.70 0.16 0.58 0.09 0.00 0.00 178.44 180.00 2qsp h VAL 107 N 0.69 0.84 -0.36 1.22 2.07 -1.02 -0.15 116.25 119.53 2qsp h VAL 107 Ca 0.17 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2qsp h VAL 107 Cb 0.21 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2qsp h VAL 107 CO -0.01 0.06 0.22 0.74 0.02 0.00 0.00 177.57 178.59 2qsp h THR 108 N 0.33 1.12 -0.16 2.57 2.02 -1.08 -0.97 112.91 116.74 2qsp h THR 108 Ca 0.23 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2qsp h THR 108 Cb 0.24 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2qsp h THR 108 CO -0.23 0.12 -0.21 -0.07 0.37 0.00 0.00 175.52 175.50 2qsp h LEU 109 N 0.47 0.46 -0.94 2.58 3.38 -0.89 -2.46 115.31 117.92 2qsp h LEU 109 Ca 0.13 -0.51 0.17 0.00 0.09 0.00 0.00 57.88 57.76 2qsp h LEU 109 Cb 0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.53 2qsp h LEU 109 CO -0.02 0.88 0.53 0.00 0.09 0.00 0.00 178.44 179.92 2qsp h ALA 110 N 0.59 1.49 -0.50 1.53 0.00 -0.97 0.13 119.26 121.53 2qsp h ALA 110 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2qsp h ALA 110 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2qsp h ALA 110 CO 0.05 -0.07 -0.13 1.03 0.00 0.00 0.00 179.25 180.14 2qsp h SER 111 N 0.70 0.95 0.42 0.00 0.87 -0.84 -3.05 113.55 112.60 2qsp h SER 111 Ca 0.53 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 2qsp h SER 111 Cb 0.79 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2qsp h SER 111 CO -0.38 1.07 -1.65 1.41 -0.53 0.00 0.00 176.83 176.75 2qsp n HIS 112 N -4.14 0.47 -2.80 2.24 8.25 -0.96 -4.41 115.22 113.87 2qsp n HIS 112 Ca 0.01 0.15 -0.24 0.00 -0.26 0.00 0.00 57.72 57.38 2qsp n HIS 112 Cb 0.40 -0.81 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 2qsp n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qsp n LEU 113 N -2.57 3.76 0.27 2.41 4.77 0.42 -4.92 117.00 121.15 2qsp n LEU 113 Ca -0.08 -5.26 0.15 0.00 -0.03 0.00 0.00 56.01 50.79 2qsp n LEU 113 Cb 0.69 -0.26 0.74 0.00 -2.33 0.00 0.00 43.42 42.27 2qsp n LEU 113 CO 0.43 2.24 0.98 1.55 -1.33 0.00 0.00 177.39 181.26 2qsp h PRO 114 N 2.86 0.00 0.00 3.23 0.13 -1.74 -1.16 132.00 135.32 2qsp h PRO 114 Ca 0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 2qsp h PRO 114 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 2qsp h PRO 114 CO 0.75 0.10 -0.88 0.77 -0.23 0.00 0.00 178.00 178.51 2qsp h SER 115 N 0.00 0.00 0.62 1.44 0.02 -1.91 -3.35 113.55 110.37 2qsp h SER 115 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qsp h SER 115 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2qsp h SER 115 CO 0.01 0.68 -0.80 0.47 -1.14 0.00 0.00 176.83 176.06 2qsp n ASP 116 N -3.19 0.64 -3.81 3.07 8.00 -0.58 -4.66 116.55 116.03 2qsp n ASP 116 Ca -0.02 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 2qsp n ASP 116 Cb 0.83 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 2qsp n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qsp n PHE 117 N -1.97 2.72 -1.84 1.24 7.35 -0.54 -4.82 117.46 119.60 2qsp n PHE 117 Ca 0.03 -2.74 -0.30 0.00 -0.76 0.00 0.00 57.45 53.68 2qsp n PHE 117 Cb 0.43 -1.77 0.05 0.00 0.35 0.00 0.00 39.48 38.54 2qsp n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qsp s THR 118 N -0.65 3.50 0.25 -2.13 -4.23 -1.26 -4.74 115.64 106.38 2qsp s THR 118 Ca 0.40 0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 2qsp s THR 118 Cb 0.11 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.72 2qsp s THR 118 CO 0.00 -0.64 1.79 -0.65 -0.54 0.00 0.00 174.62 174.59 2qsp h PRO 119 N -0.69 0.70 -0.64 3.99 0.11 -1.99 0.67 132.00 134.16 2qsp h PRO 119 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2qsp h PRO 119 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2qsp h PRO 119 CO 0.63 0.46 0.31 0.00 -0.21 0.00 0.00 178.00 179.20 2qsp h ALA 120 N 1.49 0.82 -0.33 -0.75 0.00 -1.97 -1.29 119.26 117.23 2qsp h ALA 120 Ca 0.42 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2qsp h ALA 120 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qsp h ALA 120 CO -0.29 0.38 -0.25 0.28 0.00 0.00 0.00 179.25 179.37 2qsp h VAL 121 N 0.88 1.29 -0.55 0.00 2.07 -1.74 -1.27 116.25 116.94 2qsp h VAL 121 Ca 0.22 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.43 2qsp h VAL 121 Cb 0.11 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2qsp h VAL 121 CO -0.03 0.45 0.16 -0.74 0.02 0.00 0.00 177.57 177.43 2qsp h HIS 122 N 0.52 0.26 -0.44 1.57 6.17 -0.79 0.16 115.15 122.60 2qsp h HIS 122 Ca 0.06 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 2qsp h HIS 122 Cb 0.81 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.69 2qsp h HIS 122 CO 0.07 0.04 -0.27 0.00 0.71 0.00 0.00 177.93 178.47 2qsp h ALA 123 N 1.40 0.63 -0.16 5.26 0.00 -0.97 -0.02 119.26 125.39 2qsp h ALA 123 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qsp h ALA 123 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qsp h ALA 123 CO -0.32 0.66 0.10 0.77 0.00 0.00 0.00 179.25 180.46 2qsp h SER 124 N 0.81 0.19 -0.63 0.00 0.02 -0.93 -1.94 113.55 111.07 2qsp h SER 124 Ca 0.09 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2qsp h SER 124 Cb 0.86 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2qsp h SER 124 CO 0.08 0.17 0.07 -0.07 -1.14 0.00 0.00 176.83 175.94 2qsp h LEU 125 N 0.19 1.02 -0.30 5.07 3.38 -0.77 -0.57 115.31 123.33 2qsp h LEU 125 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2qsp h LEU 125 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qsp h LEU 125 CO -0.01 1.04 0.15 -0.78 0.09 0.00 0.00 178.44 178.93 2qsp h ASP 126 N 0.97 0.23 -0.47 -0.43 3.58 -0.94 0.04 116.42 119.40 2qsp h ASP 126 Ca 0.19 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.67 2qsp h ASP 126 Cb 0.48 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 2qsp h ASP 126 CO 0.02 0.17 0.29 0.11 -2.88 0.00 0.00 179.24 176.95 2qsp h LYS 127 N 0.32 0.56 -0.18 0.28 1.57 -1.12 -1.11 116.57 116.88 2qsp h LYS 127 Ca 0.13 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2qsp h LYS 127 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2qsp h LYS 127 CO -0.09 0.37 -0.09 0.35 -0.57 0.00 0.00 179.45 179.42 2qsp h PHE 128 N 0.58 -0.23 -0.51 -1.35 3.57 -0.77 0.17 116.94 118.41 2qsp h PHE 128 Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2qsp h PHE 128 Cb -0.01 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2qsp h PHE 128 CO -0.06 -0.15 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.72 2qsp h LEU 129 N -0.08 0.92 -0.56 0.59 3.38 -0.80 0.47 115.31 119.22 2qsp h LEU 129 Ca 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2qsp h LEU 129 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qsp h LEU 129 CO -0.23 1.02 0.23 0.00 0.09 0.00 0.00 178.44 179.55 2qsp h ALA 130 N 1.06 0.72 -0.27 1.53 0.00 -0.93 -0.31 119.26 121.05 2qsp h ALA 130 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qsp h ALA 130 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qsp h ALA 130 CO 0.04 0.32 0.10 -0.97 0.00 0.00 0.00 179.25 178.73 2qsp h ASN 131 N 0.76 0.39 -0.55 0.00 -1.24 -0.20 0.46 115.58 115.20 2qsp h ASN 131 Ca 0.19 -0.19 0.09 0.00 0.71 0.00 0.00 56.30 57.10 2qsp h ASN 131 Cb 0.18 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.06 2qsp h ASN 131 CO -0.02 0.47 0.16 0.58 -1.29 0.00 0.00 177.43 177.33 2qsp h VAL 132 N 0.28 0.74 -0.42 2.57 2.07 -0.83 -0.17 116.25 120.49 2qsp h VAL 132 Ca 0.09 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2qsp h VAL 132 Cb 0.22 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2qsp h VAL 132 CO -0.00 0.06 0.26 0.28 0.02 0.00 0.00 177.57 178.18 2qsp h SER 133 N 0.31 0.42 -0.12 0.57 0.02 -0.65 -0.40 113.55 113.69 2qsp h SER 133 Ca 0.28 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 2qsp h SER 133 Cb 0.36 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2qsp h SER 133 CO -0.32 0.30 -0.13 0.74 -1.14 0.00 0.00 176.83 176.28 2qsp h THR 134 N 0.52 0.65 -0.25 -2.27 2.02 0.68 -1.65 112.91 112.60 2qsp h THR 134 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 2qsp h THR 134 Cb -0.00 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2qsp h THR 134 CO -0.07 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.41 2qsp h VAL 135 N -0.16 0.83 0.00 3.16 2.07 -0.73 -1.35 116.25 120.07 2qsp h VAL 135 Ca 0.09 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2qsp h VAL 135 Cb 0.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2qsp h VAL 135 CO -0.21 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.57 2qsp n LEU 136 N -5.14 0.00 -0.36 2.57 4.77 -0.19 -1.42 117.00 117.23 2qsp n LEU 136 Ca -0.01 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 2qsp n LEU 136 Cb 0.13 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 40.92 2qsp n LEU 136 CO 0.25 -0.27 0.60 0.35 -1.33 0.00 0.00 177.39 177.00 2qsp n THR 137 N -1.44 1.68 1.17 -5.08 -2.24 -0.65 -4.13 114.28 103.59 2qsp n THR 137 Ca 0.04 -1.71 0.11 0.00 -2.27 0.00 0.00 64.05 60.22 2qsp n THR 137 Cb 0.13 0.02 0.37 0.00 -2.10 0.00 0.00 70.33 68.75 2qsp n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qsp n SER 138 N -0.70 1.85 -2.80 3.42 3.41 -0.51 -4.48 113.62 113.81 2qsp n SER 138 Ca 0.13 -1.72 -0.03 0.00 -0.26 0.00 0.00 58.87 57.00 2qsp n SER 138 Cb 0.60 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 2qsp n SER 138 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2qsp s LYS 139 N -1.80 0.91 0.20 4.33 -2.85 -1.26 -4.94 119.74 114.34 2qsp s LYS 139 Ca 0.33 -0.84 0.13 0.00 -1.00 0.00 0.00 55.97 54.60 2qsp s LYS 139 Cb 0.18 -0.03 0.70 0.00 -2.06 0.00 0.00 37.83 36.63 2qsp s LYS 139 CO 0.28 -1.15 1.37 0.66 0.10 0.00 0.00 175.35 176.61 2qsp n TYR 140 N 3.09 0.43 0.00 1.78 4.02 -1.26 -4.45 117.16 120.77 2qsp n TYR 140 Ca 0.16 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 2qsp n TYR 140 Cb 0.57 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 2qsp n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72