#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q h SER 2 N 0.00 0.00 -3.31 1.61 0.87 -2.02 -3.47 113.55 107.23 1x4q h SER 2 Ca 0.00 -0.28 -0.56 0.00 -1.23 0.00 0.00 61.79 59.72 1x4q h SER 2 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1x4q h SER 2 CO 0.00 1.14 0.02 -0.94 -0.53 0.00 0.00 176.83 176.52 1x4q s SER 3 N -6.33 7.12 0.33 6.23 1.04 -1.26 -5.08 113.70 115.75 1x4q s SER 3 Ca -0.22 1.33 0.06 0.00 0.48 0.00 0.00 55.95 57.60 1x4q s SER 3 Cb 0.04 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1x4q s SER 3 CO 0.42 0.22 0.47 -0.83 0.98 0.00 0.00 173.24 174.50 1x4q s GLY 4 N -0.92 1.56 -0.16 7.32 0.00 -1.26 -4.77 107.32 109.09 1x4q s GLY 4 Ca 0.31 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1x4q s GLY 4 CO 0.20 -1.34 0.09 1.44 0.00 0.00 0.00 173.10 173.50 1x4q n SER 5 N -1.64 -7.02 -0.91 1.64 7.64 -1.26 -4.75 113.62 107.31 1x4q n SER 5 Ca -0.01 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1x4q n SER 5 Cb 0.58 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.78 1x4q n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4q n SER 6 N 0.89 -5.48 0.00 6.43 7.64 -1.26 -5.05 113.62 116.78 1x4q n SER 6 Ca -0.00 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1x4q n SER 6 Cb 0.35 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.44 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 7 N -0.44 0.39 0.03 0.23 0.00 -1.26 -4.94 105.19 99.19 1x4q n GLY 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1x4q n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x4q n MET 8 N 0.00 0.17 -3.07 1.61 0.00 -1.26 -4.77 117.12 109.80 1x4q n MET 8 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 57.70 57.82 1x4q n MET 8 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 33.22 32.35 1x4q n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4q n ALA 9 N -3.08 -1.84 -2.15 -5.12 0.00 -1.25 -4.94 120.51 102.13 1x4q n ALA 9 Ca -0.04 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1x4q n ALA 9 Cb 0.16 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1x4q n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x4q s LEU 10 N -0.64 3.68 0.69 0.00 1.02 -1.26 -5.06 118.68 117.11 1x4q s LEU 10 Ca -0.02 1.13 -0.05 0.00 0.02 0.00 0.00 54.13 55.21 1x4q s LEU 10 Cb 0.00 -4.06 0.07 0.00 0.02 0.00 0.00 46.19 42.23 1x4q s LEU 10 CO 0.11 -0.53 0.98 -0.44 0.02 0.00 0.00 176.35 176.49 1x4q s SER 11 N -3.59 4.75 0.38 2.29 0.01 -1.26 -4.83 113.70 111.45 1x4q s SER 11 Ca 0.51 0.23 0.05 0.00 1.31 0.00 0.00 55.95 58.04 1x4q s SER 11 Cb -0.10 -0.85 0.75 0.00 0.21 0.00 0.00 66.02 66.03 1x4q s SER 11 CO 0.39 -1.60 2.03 0.50 0.41 0.00 0.00 173.24 174.96 1x4q h LYS 12 N -0.50 0.69 0.00 12.44 1.63 -1.99 -0.55 116.57 128.28 1x4q h LYS 12 Ca -0.43 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.17 1x4q h LYS 12 Cb 1.30 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1x4q h LYS 12 CO 0.54 0.45 -0.75 0.07 -3.45 0.00 0.00 179.45 176.31 1x4q h ARG 13 N 0.71 0.00 0.16 1.90 0.11 -1.99 -2.78 114.38 112.48 1x4q h ARG 13 Ca 0.20 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.28 1x4q h ARG 13 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1x4q h ARG 13 CO -0.05 0.75 -0.08 0.93 0.10 0.00 0.00 179.97 181.63 1x4q h GLU 14 N 0.00 -0.21 -0.09 0.08 4.39 -1.64 -3.24 114.58 113.87 1x4q h GLU 14 Ca -0.01 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1x4q h GLU 14 Cb 1.55 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1x4q h GLU 14 CO 0.10 0.23 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.00 1x4q h LEU 15 N -0.80 0.13 -1.61 1.33 3.38 -1.26 -2.30 115.31 114.17 1x4q h LEU 15 Ca -0.02 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.10 1x4q h LEU 15 Cb 0.53 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1x4q h LEU 15 CO 0.04 0.26 0.53 -0.78 0.09 0.00 0.00 178.44 178.58 1x4q h ASP 16 N 0.13 0.35 0.85 -0.43 1.82 -1.51 0.34 116.42 117.97 1x4q h ASP 16 Ca 0.03 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 1x4q h ASP 16 Cb 0.28 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 1x4q h ASP 16 CO 0.02 0.17 -0.46 -0.33 -1.61 0.00 0.00 179.24 177.02 1x4q h GLU 17 N 0.36 0.00 0.08 0.28 5.08 -1.47 -3.13 114.58 115.78 1x4q h GLU 17 Ca 0.40 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.49 1x4q h GLU 17 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1x4q h GLU 17 CO -0.12 0.46 -1.27 -0.07 -1.00 0.00 0.00 179.01 177.01 1x4q h LEU 18 N 0.00 0.27 -0.99 1.33 4.07 -0.48 -3.32 115.31 116.20 1x4q h LEU 18 Ca -0.00 -0.32 0.09 0.00 0.08 0.00 0.00 57.88 57.73 1x4q h LEU 18 Cb 1.01 -0.09 -0.12 0.00 1.08 0.00 0.00 40.66 42.54 1x4q h LEU 18 CO 0.06 1.25 -0.59 0.11 -1.08 0.00 0.00 178.44 178.20 1x4q h LYS 19 N 0.05 -0.01 0.00 1.13 1.57 -0.98 1.34 116.57 119.67 1x4q h LYS 19 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1x4q h LYS 19 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1x4q h LYS 19 CO 0.17 -0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 178.69 1x4q n PRO 20 N -5.24 0.12 0.02 3.15 -0.04 -1.26 -1.17 135.00 130.58 1x4q n PRO 20 Ca 0.02 0.36 -0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1x4q n PRO 20 Cb 0.26 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 1x4q n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1x4q n TRP 21 N -1.97 0.90 -0.03 0.54 -0.00 0.39 -3.82 117.44 113.45 1x4q n TRP 21 Ca 0.03 0.30 -0.18 0.00 -0.00 0.00 0.00 57.50 57.64 1x4q n TRP 21 Cb 0.21 -1.07 -0.14 0.00 -0.00 0.00 0.00 31.31 30.31 1x4q n TRP 21 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1x4q n ILE 22 N -2.86 1.69 0.06 5.87 5.41 0.27 -3.20 119.36 126.60 1x4q n ILE 22 Ca -0.11 -0.67 0.05 0.00 1.00 0.00 0.00 62.75 63.03 1x4q n ILE 22 Cb 0.85 -1.53 0.48 0.00 -0.71 0.00 0.00 39.64 38.74 1x4q n ILE 22 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x4q h GLU 23 N 0.05 0.40 0.17 0.38 5.08 -1.33 0.23 114.58 119.56 1x4q h GLU 23 Ca -0.44 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 57.58 1x4q h GLU 23 Cb 2.02 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.19 1x4q h GLU 23 CO 0.05 0.27 -1.50 1.57 -1.00 0.00 0.00 179.01 178.39 1x4q h LYS 24 N 0.41 0.37 -0.37 2.33 5.09 -1.72 -3.26 116.57 119.41 1x4q h LYS 24 Ca 0.12 -0.63 -0.11 0.00 0.09 0.00 0.00 60.65 60.12 1x4q h LYS 24 Cb -0.01 0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 1x4q h LYS 24 CO -0.03 1.27 -0.19 1.15 -2.09 0.00 0.00 179.45 179.56 1x4q h THR 25 N 0.10 1.28 -0.74 0.07 2.02 -1.39 -2.96 112.91 111.29 1x4q h THR 25 Ca -0.25 -1.33 0.05 0.00 0.77 0.00 0.00 66.41 65.65 1x4q h THR 25 Cb 2.07 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 69.77 1x4q h THR 25 CO 0.21 0.44 0.49 0.58 0.37 0.00 0.00 175.52 177.60 1x4q h VAL 26 N 0.59 1.08 0.00 3.16 2.07 -0.68 0.60 116.25 123.07 1x4q h VAL 26 Ca 0.08 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1x4q h VAL 26 Cb 0.75 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1x4q h VAL 26 CO 0.06 0.16 -0.41 0.50 0.02 0.00 0.00 177.57 177.89 1x4q h LYS 27 N 0.86 0.00 0.02 1.57 3.64 -1.57 -1.85 116.57 119.24 1x4q h LYS 27 Ca 0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1x4q h LYS 27 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1x4q h LYS 27 CO -0.09 0.41 -0.13 0.00 -2.27 0.00 0.00 179.45 177.37 1x4q h ARG 28 N 0.00 0.05 -0.05 1.90 3.08 -1.00 0.83 114.38 119.20 1x4q h ARG 28 Ca -0.00 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1x4q h ARG 28 Cb 0.73 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1x4q h ARG 28 CO 0.05 1.02 -0.08 0.28 -1.07 0.00 0.00 179.97 180.17 1x4q h VAL 29 N -0.87 0.78 0.03 2.04 2.07 -0.94 -3.08 116.25 116.28 1x4q h VAL 29 Ca -0.02 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.22 1x4q h VAL 29 Cb 1.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1x4q h VAL 29 CO 0.02 0.00 -1.51 -0.07 0.02 0.00 0.00 177.57 176.03 1x4q h LEU 30 N -0.11 0.11 0.00 2.57 3.38 -1.48 -3.48 115.31 116.29 1x4q h LEU 30 Ca 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x4q h LEU 30 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1x4q h LEU 30 CO -0.12 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1x4q n GLY 31 N 1.55 0.72 0.00 0.83 0.00 0.29 -4.78 105.19 103.80 1x4q n GLY 31 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x4q n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x4q n PHE 32 N -2.00 0.00 -0.12 1.61 1.16 -1.04 -4.87 117.46 112.20 1x4q n PHE 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1x4q n PHE 32 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1x4q n PHE 32 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1x4q n SER 33 N -1.39 -1.76 -4.21 5.98 2.88 -1.25 -4.79 113.62 109.08 1x4q n SER 33 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1x4q n SER 33 Cb 0.27 0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 63.98 1x4q n SER 33 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x4q s GLU 34 N -3.82 2.19 0.06 -1.46 2.56 -1.26 -4.92 118.70 112.05 1x4q s GLU 34 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 54.97 54.01 1x4q s GLU 34 Cb 0.00 -1.89 -0.12 0.00 2.00 0.00 0.00 34.13 34.12 1x4q s GLU 34 CO 0.00 0.33 1.37 -1.00 -0.56 0.00 0.00 175.26 175.40 1x4q h PRO 35 N 6.11 0.49 0.00 4.30 0.13 -2.00 -2.60 132.00 138.43 1x4q h PRO 35 Ca -0.33 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1x4q h PRO 35 Cb 1.17 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4q h PRO 35 CO 0.47 0.83 -0.02 0.00 -0.23 0.00 0.00 178.00 179.06 1x4q h THR 36 N 0.16 0.27 0.05 1.56 1.03 -1.99 -2.66 112.91 111.33 1x4q h THR 36 Ca 0.03 -0.13 -0.10 0.00 -0.01 0.00 0.00 66.41 66.20 1x4q h THR 36 Cb 0.75 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1x4q h THR 36 CO 0.05 0.02 -0.49 0.58 -0.01 0.00 0.00 175.52 175.67 1x4q h VAL 37 N 0.00 1.55 -1.06 0.00 2.07 -1.87 -3.13 116.25 113.82 1x4q h VAL 37 Ca -0.00 -2.38 0.28 0.00 0.82 0.00 0.00 66.70 65.42 1x4q h VAL 37 Cb 0.10 3.15 -0.11 0.00 -1.52 0.00 0.00 31.29 32.91 1x4q h VAL 37 CO 0.00 0.61 0.66 0.58 0.02 0.00 0.00 177.57 179.45 1x4q h VAL 38 N -0.77 0.47 0.19 2.57 2.07 -1.10 -1.35 116.25 118.33 1x4q h VAL 38 Ca -0.11 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1x4q h VAL 38 Cb 1.27 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1x4q h VAL 38 CO 0.02 0.07 -0.09 0.74 0.02 0.00 0.00 177.57 178.33 1x4q h THR 39 N 0.40 0.76 -0.92 2.57 2.02 -1.64 -2.35 112.91 113.74 1x4q h THR 39 Ca 0.64 -1.04 0.27 0.00 0.77 0.00 0.00 66.41 67.04 1x4q h THR 39 Cb 1.56 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 1x4q h THR 39 CO -0.37 0.19 0.85 0.00 0.37 0.00 0.00 175.52 176.56 1x4q h ALA 40 N -0.37 2.77 0.01 6.16 0.00 -1.21 0.11 119.26 126.73 1x4q h ALA 40 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1x4q h ALA 40 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x4q h ALA 40 CO 0.04 -1.32 -0.40 0.00 0.00 0.00 0.00 179.25 177.57 1x4q h ALA 41 N 1.17 0.07 -0.72 0.00 0.00 -1.32 -2.87 119.26 115.60 1x4q h ALA 41 Ca 0.44 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1x4q h ALA 41 Cb 2.13 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 20.09 1x4q h ALA 41 CO -0.00 0.22 0.47 -0.07 0.00 0.00 0.00 179.25 179.87 1x4q h LEU 42 N -0.97 0.65 -0.14 0.00 3.38 -0.33 -2.17 115.31 115.74 1x4q h LEU 42 Ca -0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1x4q h LEU 42 Cb 1.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1x4q h LEU 42 CO -0.05 0.42 -0.44 -1.13 0.09 0.00 0.00 178.44 177.32 1x4q h ASN 43 N 0.74 0.63 0.00 -0.43 -0.73 -1.08 -2.70 115.58 112.02 1x4q h ASN 43 Ca 0.31 -0.60 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1x4q h ASN 43 Cb 0.26 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.67 1x4q h ASN 43 CO -0.10 1.12 0.00 0.00 -0.37 0.00 0.00 177.43 178.08 1x4q h VAL 45 N 0.00 0.74 -0.09 0.00 -1.51 -1.64 0.13 116.25 113.88 1x4q h VAL 45 Ca 0.00 -0.27 -0.06 0.00 -1.23 0.00 0.00 66.70 65.14 1x4q h VAL 45 Cb 0.00 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.05 1x4q h VAL 45 CO 0.00 0.14 -0.22 1.23 -1.23 0.00 0.00 177.57 177.49 1x4q h GLY 46 N 0.78 0.17 -3.01 5.19 0.00 -1.05 -2.19 103.07 102.96 1x4q h GLY 46 Ca 0.55 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 1x4q h GLY 46 CO -0.36 0.11 0.11 1.17 0.00 0.00 0.00 176.54 177.56 1x4q n LYS 47 N -4.21 3.45 -0.99 4.80 0.00 0.25 -3.85 118.16 117.61 1x4q n LYS 47 Ca -0.01 -2.29 -0.06 0.00 0.00 0.00 0.00 58.31 55.94 1x4q n LYS 47 Cb 0.32 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 33.30 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x4q n GLY 48 N 0.20 0.60 3.24 3.14 0.00 -0.82 -4.87 105.19 106.68 1x4q n GLY 48 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1x4q n GLY 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 49 N -0.57 -0.07 -4.20 1.61 2.81 -0.49 -4.64 117.12 111.57 1x4q n MET 49 Ca -0.06 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.55 1x4q n MET 49 Cb 0.37 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 1x4q n MET 49 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x4q s ASP 50 N -1.45 4.71 0.38 7.83 1.11 -1.26 -4.80 116.67 123.18 1x4q s ASP 50 Ca 0.51 -0.35 0.22 0.00 0.18 0.00 0.00 52.55 53.11 1x4q s ASP 50 Cb -0.24 -0.99 1.35 0.00 1.07 0.00 0.00 42.92 44.11 1x4q s ASP 50 CO 0.73 0.13 1.59 0.11 1.18 0.00 0.00 175.17 178.91 1x4q h LYS 51 N 3.11 0.04 0.57 8.23 1.57 -1.96 0.40 116.57 128.53 1x4q h LYS 51 Ca -0.48 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1x4q h LYS 51 Cb 1.18 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x4q h LYS 51 CO 0.57 0.03 -0.27 0.87 -0.57 0.00 0.00 179.45 180.07 1x4q h LYS 52 N 0.04 -0.74 0.79 3.15 1.79 -2.01 -2.65 116.57 116.95 1x4q h LYS 52 Ca 0.84 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 59.33 1x4q h LYS 52 Cb 2.29 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 33.11 1x4q h LYS 52 CO -0.69 -0.49 -0.48 0.87 -1.08 0.00 0.00 179.45 177.58 1x4q h LYS 53 N -0.89 -1.15 -0.80 3.15 1.57 -1.38 -3.04 116.57 114.04 1x4q h LYS 53 Ca -0.08 0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1x4q h LYS 53 Cb 0.59 0.26 -0.12 0.00 0.08 0.00 0.00 32.23 33.04 1x4q h LYS 53 CO 0.13 -0.76 -0.37 0.00 -0.57 0.00 0.00 179.45 177.87 1x4q n ALA 54 N -2.71 -0.25 -0.31 3.86 0.00 0.12 0.07 120.51 121.30 1x4q n ALA 54 Ca -0.15 0.76 -0.06 0.00 0.00 0.00 0.00 53.44 53.99 1x4q n ALA 54 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1x4q n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4q h ALA 55 N 0.85 -0.19 -0.87 0.00 0.00 -1.35 0.69 119.26 118.39 1x4q h ALA 55 Ca 0.22 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.45 1x4q h ALA 55 Cb 0.43 1.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1x4q h ALA 55 CO -0.78 -0.78 0.56 0.22 0.00 0.00 0.00 179.25 178.47 1x4q h ASP 56 N -0.11 0.60 0.46 0.00 1.82 -0.37 0.32 116.42 119.15 1x4q h ASP 56 Ca 0.23 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.83 1x4q h ASP 56 Cb 0.55 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1x4q h ASP 56 CO -0.84 0.31 -0.40 -0.74 -1.61 0.00 0.00 179.24 175.96 1x4q h HIS 57 N 0.64 0.00 -0.31 0.28 2.76 0.92 -2.52 115.15 116.92 1x4q h HIS 57 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1x4q h HIS 57 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1x4q h HIS 57 CO -0.00 0.40 0.00 1.28 -1.30 0.00 0.00 177.93 178.31 1x4q n LEU 58 N -3.96 3.27 0.34 0.26 4.77 0.55 -4.47 117.00 117.76 1x4q n LEU 58 Ca -0.02 -1.35 -0.15 0.00 -0.03 0.00 0.00 56.01 54.46 1x4q n LEU 58 Cb 0.44 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1x4q n LEU 58 CO 0.39 0.67 0.46 0.50 -1.33 0.00 0.00 177.39 178.08 1x4q h LYS 59 N 4.39 -0.84 0.00 3.23 1.63 -0.06 1.59 116.57 126.51 1x4q h LYS 59 Ca 0.00 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1x4q h LYS 59 Cb 0.96 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1x4q h LYS 59 CO 0.00 -0.52 0.00 -0.35 -3.45 0.00 0.00 179.45 175.13 1x4q n PRO 60 N -5.38 0.24 -0.01 1.90 -0.04 -1.26 0.49 135.00 130.94 1x4q n PRO 60 Ca -0.12 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1x4q n PRO 60 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1x4q n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4q n PHE 61 N -1.25 0.00 0.04 0.54 3.72 -1.11 -4.90 117.46 114.50 1x4q n PHE 61 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1x4q n PHE 61 Cb 0.11 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1x4q n PHE 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1x4q n LEU 62 N -1.88 0.03 0.00 4.37 4.77 0.53 -4.89 117.00 119.94 1x4q n LEU 62 Ca -0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x4q n LEU 62 Cb 0.32 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1x4q n LEU 62 CO 0.15 -0.52 0.00 0.47 -1.33 0.00 0.00 177.39 176.16 1x4q n ASP 63 N -2.90 0.00 0.22 -1.43 8.00 0.18 -2.09 116.55 118.52 1x4q n ASP 63 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1x4q n ASP 63 Cb 0.07 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.75 1x4q n ASP 63 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1x4q h ASP 64 N 0.00 0.00 -0.30 -2.24 5.19 -1.90 -2.95 116.42 114.21 1x4q h ASP 64 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1x4q h ASP 64 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 1x4q h ASP 64 CO 0.00 0.00 -0.50 -1.20 -3.12 0.00 0.00 179.24 174.42 1x4q n SER 65 N -2.80 2.95 0.00 6.45 7.64 -0.89 -4.80 113.62 122.17 1x4q n SER 65 Ca 0.02 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1x4q n SER 65 Cb 0.31 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1x4q n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x4q n THR 66 N -0.99 0.00 -0.38 0.44 -1.04 -1.11 -2.65 114.28 108.55 1x4q n THR 66 Ca 0.30 0.25 0.38 0.00 -2.04 0.00 0.00 64.05 62.94 1x4q n THR 66 Cb 0.82 -1.05 0.71 0.00 -1.82 0.00 0.00 70.33 68.99 1x4q n THR 66 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x4q h LEU 67 N 0.00 0.00 0.19 -4.42 3.38 -1.88 0.80 115.31 113.39 1x4q h LEU 67 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1x4q h LEU 67 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x4q h LEU 67 CO 0.00 0.00 -1.63 -0.09 0.09 0.00 0.00 178.44 176.81 1x4q h ARG 68 N 0.00 0.40 0.19 1.13 9.65 -1.87 -3.30 114.38 120.58 1x4q h ARG 68 Ca 0.63 -0.69 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1x4q h ARG 68 Cb 2.74 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 31.58 1x4q h ARG 68 CO -0.01 1.33 -0.09 0.35 2.80 0.00 0.00 179.97 184.35 1x4q h PHE 69 N 0.04 -0.23 -0.41 2.20 3.04 0.62 -3.17 116.94 119.03 1x4q h PHE 69 Ca -0.32 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 61.74 1x4q h PHE 69 Cb 2.05 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 40.62 1x4q h PHE 69 CO 0.11 -0.14 0.91 -0.24 -2.02 0.00 0.00 178.31 176.93 1x4q h VAL 70 N -0.62 0.05 -0.03 1.41 3.04 -0.53 1.26 116.25 120.82 1x4q h VAL 70 Ca -0.03 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.41 1x4q h VAL 70 Cb 0.19 0.18 0.02 0.00 -2.01 0.00 0.00 31.29 29.67 1x4q h VAL 70 CO 0.04 0.00 -0.99 -0.78 -1.01 0.00 0.00 177.57 174.83 1x4q h ASP 71 N 0.00 0.91 1.13 3.17 3.58 -1.63 -2.83 116.42 120.75 1x4q h ASP 71 Ca 0.19 -0.70 -0.08 0.00 0.42 0.00 0.00 57.03 56.86 1x4q h ASP 71 Cb 2.00 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1x4q h ASP 71 CO -0.00 1.50 -0.39 0.11 -2.88 0.00 0.00 179.24 177.58 1x4q h LYS 72 N 0.42 0.00 0.41 0.28 1.79 0.16 -3.02 116.57 116.60 1x4q h LYS 72 Ca -0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1x4q h LYS 72 Cb 1.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1x4q h LYS 72 CO 0.20 0.39 -0.20 1.25 -1.08 0.00 0.00 179.45 180.00 1x4q h LEU 73 N 0.00 -0.47 -0.75 2.94 5.85 -1.36 -1.63 115.31 119.90 1x4q h LEU 73 Ca -0.00 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1x4q h LEU 73 Cb 1.06 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1x4q h LEU 73 CO 0.05 -0.03 0.30 -0.26 -0.34 0.00 0.00 178.44 178.15 1x4q h PHE 74 N -1.12 0.50 -0.00 1.25 -1.00 -1.60 0.16 116.94 115.14 1x4q h PHE 74 Ca -0.06 0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 1x4q h PHE 74 Cb 0.46 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1x4q h PHE 74 CO 0.01 0.07 -0.35 1.05 -1.61 0.00 0.00 178.31 177.47 1x4q h GLU 75 N 0.44 0.00 -0.46 1.51 4.11 -1.60 -3.08 114.58 115.50 1x4q h GLU 75 Ca 0.41 -0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.93 1x4q h GLU 75 Cb 0.61 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1x4q h GLU 75 CO -0.40 0.36 -0.11 0.00 0.07 0.00 0.00 179.01 178.93 1x4q h ALA 76 N 1.64 0.31 -1.00 1.06 0.00 0.36 0.17 119.26 121.80 1x4q h ALA 76 Ca -0.00 0.18 0.37 0.00 0.00 0.00 0.00 54.91 55.46 1x4q h ALA 76 Cb 0.63 0.35 -0.17 0.00 0.00 0.00 0.00 17.79 18.60 1x4q h ALA 76 CO 0.05 -0.44 0.54 0.28 0.00 0.00 0.00 179.25 179.68 1x4q h VAL 77 N 0.00 0.14 0.00 0.00 2.07 -1.49 1.80 116.25 118.78 1x4q h VAL 77 Ca 0.22 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1x4q h VAL 77 Cb 0.34 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1x4q h VAL 77 CO -0.47 0.03 -0.82 -0.33 0.02 0.00 0.00 177.57 175.99 1x4q h GLU 78 N 0.15 0.00 0.00 1.57 5.08 -1.27 -3.13 114.58 116.99 1x4q h GLU 78 Ca 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1x4q h GLU 78 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1x4q h GLU 78 CO -0.69 0.00 -0.12 1.49 -1.00 0.00 0.00 179.01 178.69 1x4q h GLU 79 N 0.00 0.00 -0.89 2.33 4.57 0.43 -1.36 114.58 119.65 1x4q h GLU 79 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1x4q h GLU 79 Cb 0.91 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1x4q h GLU 79 CO 0.00 0.00 0.51 0.78 -1.18 0.00 0.00 179.01 179.12 1x4q h GLY 80 N -0.79 1.32 0.00 1.92 0.00 0.01 -3.28 103.07 102.26 1x4q h GLY 80 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1x4q h GLY 80 CO 0.00 0.55 -0.09 3.21 0.00 0.00 0.00 176.54 180.21 1x4q h ARG 81 N 1.24 0.00 0.00 4.80 3.08 -1.66 -3.47 114.38 118.37 1x4q h ARG 81 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1x4q h ARG 81 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1x4q h ARG 81 CO -0.06 0.20 0.00 0.45 -1.07 0.00 0.00 179.97 179.50 1x4q n SER 82 N -4.72 0.00 -1.89 7.04 2.88 -0.51 -2.99 113.62 113.42 1x4q n SER 82 Ca -0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1x4q n SER 82 Cb 0.13 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.64 1x4q n SER 82 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 83 N 2.99 -0.87 -2.43 -3.46 2.88 -1.26 -4.98 113.62 106.49 1x4q n SER 83 Ca 0.00 -1.66 -0.03 0.00 -1.33 0.00 0.00 58.87 55.85 1x4q n SER 83 Cb 0.00 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1x4q n SER 83 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x4q n ARG 84 N -0.75 -2.05 0.11 -1.46 1.74 -1.16 -4.93 116.66 108.16 1x4q n ARG 84 Ca -0.13 1.87 -0.14 0.00 -0.77 0.00 0.00 57.85 58.68 1x4q n ARG 84 Cb 0.69 -4.38 -0.06 0.00 -1.02 0.00 0.00 32.46 27.69 1x4q n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1x4q h HIS 85 N 1.75 -0.99 -3.17 -1.55 -0.00 -1.90 -3.45 115.15 105.83 1x4q h HIS 85 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1x4q h HIS 85 Cb 0.43 0.42 -0.14 0.00 -0.00 0.00 0.00 27.41 28.13 1x4q h HIS 85 CO 0.05 -0.46 0.01 0.45 -0.00 0.00 0.00 177.93 177.97 1x4q s SER 86 N -4.75 -0.35 -0.04 3.26 0.15 -1.26 -5.08 113.70 105.64 1x4q s SER 86 Ca -0.16 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1x4q s SER 86 Cb 0.08 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1x4q s SER 86 CO 0.64 -0.85 -0.04 -1.20 1.20 0.00 0.00 173.24 172.99 1x4q n SER 87 N -0.11 2.25 0.00 5.45 7.64 -1.26 -5.15 113.62 122.44 1x4q n SER 87 Ca -0.17 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1x4q n SER 87 Cb 0.63 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1x4q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 88 N 3.08 -0.49 0.00 0.23 0.00 -1.26 -4.92 105.19 101.82 1x4q n GLY 88 Ca -0.07 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1x4q n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4q n PRO 89 N 0.00 0.47 -0.25 1.61 -0.04 -1.26 -4.97 135.00 130.55 1x4q n PRO 89 Ca 0.00 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1x4q n PRO 89 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1x4q n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4q n SER 90 N -1.02 -1.47 0.00 3.54 2.88 -1.26 -5.04 113.62 111.25 1x4q n SER 90 Ca 0.11 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x4q n SER 90 Cb 0.06 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1x4q n SER 90 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4q n SER 91 N -2.68 0.00 0.00 -3.46 3.41 -1.26 -5.23 113.62 104.40 1x4q n SER 91 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1x4q n SER 91 Cb 0.12 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49