#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q n SER 2 N 0.00 0.00 -1.96 1.61 2.88 -1.26 -4.65 113.62 110.24 1x4q n SER 2 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1x4q n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x4q n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 3 N 2.93 -3.58 -0.52 -3.46 7.64 -1.26 -5.10 113.62 110.28 1x4q n SER 3 Ca 0.00 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1x4q n SER 3 Cb 0.00 -2.68 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 4 N 0.37 4.29 0.87 0.23 0.00 -1.26 -5.07 105.19 104.62 1x4q n GLY 4 Ca -0.04 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.95 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4q n SER 5 N -0.53 -4.70 -0.05 1.61 2.88 -1.26 -4.98 113.62 106.59 1x4q n SER 5 Ca 0.00 0.99 -0.07 0.00 -1.33 0.00 0.00 58.87 58.46 1x4q n SER 5 Cb 0.00 -2.61 -0.02 0.00 -0.75 0.00 0.00 64.21 60.82 1x4q n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 6 N -2.58 1.69 0.00 -3.46 7.64 -1.26 -4.86 113.62 110.78 1x4q n SER 6 Ca -0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x4q n SER 6 Cb 0.32 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 2.06 -2.83 4.90 0.23 0.00 -1.26 -4.76 105.19 103.52 1x4q n GLY 7 Ca -0.11 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.61 0.00 -2.10 1.61 0.00 -1.26 -3.93 117.12 110.84 1x4q n MET 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1x4q n MET 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.00 -1.97 -2.15 -5.12 0.00 -1.26 -4.95 120.51 105.06 1x4q n ALA 9 Ca 0.00 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 1x4q n ALA 9 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.72 4.05 0.76 0.00 1.43 -1.23 -5.04 118.68 117.93 1x4q s LEU 10 Ca 0.00 1.26 -0.10 0.00 -1.03 0.00 0.00 54.13 54.26 1x4q s LEU 10 Cb 0.00 -4.07 0.06 0.00 0.03 0.00 0.00 46.19 42.22 1x4q s LEU 10 CO 0.00 -0.21 1.11 -0.44 0.23 0.00 0.00 176.35 177.04 1x4q s SER 11 N -2.33 4.74 0.40 2.29 0.01 -1.26 -4.78 113.70 112.76 1x4q s SER 11 Ca 0.54 0.72 0.10 0.00 1.31 0.00 0.00 55.95 58.61 1x4q s SER 11 Cb -0.10 -1.31 0.88 0.00 0.21 0.00 0.00 66.02 65.70 1x4q s SER 11 CO 0.18 -1.72 1.97 0.50 0.41 0.00 0.00 173.24 174.58 1x4q h LYS 12 N -0.84 0.57 0.00 12.44 1.63 -1.99 0.02 116.57 128.39 1x4q h LYS 12 Ca -0.45 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.18 1x4q h LYS 12 Cb 1.31 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 1x4q h LYS 12 CO 0.64 0.38 -0.64 0.07 -3.45 0.00 0.00 179.45 176.44 1x4q h ARG 13 N 0.59 0.00 0.10 1.90 0.11 -1.99 -2.88 114.38 112.21 1x4q h ARG 13 Ca 0.30 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.37 1x4q h ARG 13 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1x4q h ARG 13 CO -0.09 0.57 -0.05 0.93 0.10 0.00 0.00 179.97 181.43 1x4q h GLU 14 N 0.00 -0.13 0.00 0.08 5.08 -1.41 -3.23 114.58 114.97 1x4q h GLU 14 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1x4q h GLU 14 Cb 1.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1x4q h GLU 14 CO 0.08 0.36 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.13 1x4q h LEU 15 N -0.74 0.00 -1.33 1.33 3.38 -1.28 -2.59 115.31 114.08 1x4q h LEU 15 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1x4q h LEU 15 Cb 0.56 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1x4q h LEU 15 CO 0.02 0.25 0.53 0.44 0.09 0.00 0.00 178.44 179.77 1x4q h ASP 16 N 0.00 0.68 1.07 -0.43 5.19 -1.52 0.15 116.42 121.55 1x4q h ASP 16 Ca -0.00 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1x4q h ASP 16 Cb 0.46 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1x4q h ASP 16 CO 0.03 0.40 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.04 1x4q h GLU 17 N 0.75 0.00 0.19 3.56 4.39 -1.50 -3.12 114.58 118.85 1x4q h GLU 17 Ca 0.38 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.75 1x4q h GLU 17 Cb 0.45 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1x4q h GLU 17 CO -0.15 0.18 -1.52 -0.07 -1.16 0.00 0.00 179.01 176.29 1x4q h LEU 18 N 0.00 0.63 -0.92 1.33 -0.00 -0.82 -3.27 115.31 112.26 1x4q h LEU 18 Ca -0.00 -0.77 0.08 0.00 -0.00 0.00 0.00 57.88 57.20 1x4q h LEU 18 Cb 0.76 -0.21 -0.11 0.00 -0.00 0.00 0.00 40.66 41.10 1x4q h LEU 18 CO 0.02 1.62 -0.55 0.11 -0.00 0.00 0.00 178.44 179.64 1x4q h LYS 19 N 0.11 -0.00 0.00 1.13 1.57 -1.08 1.24 116.57 119.53 1x4q h LYS 19 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1x4q h LYS 19 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.40 1x4q h LYS 19 CO 0.22 -0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 178.75 1x4q n PRO 20 N -5.10 0.18 0.06 3.15 -0.04 -1.26 -1.19 135.00 130.81 1x4q n PRO 20 Ca 0.02 0.41 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1x4q n PRO 20 Cb 0.24 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.19 0.90 -0.06 0.54 -0.00 0.34 -3.96 117.44 113.00 1x4q n TRP 21 Ca 0.02 0.28 -0.21 0.00 -0.00 0.00 0.00 57.50 57.59 1x4q n TRP 21 Cb 0.22 -0.98 -0.13 0.00 -0.00 0.00 0.00 31.31 30.42 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 -2.73 1.64 0.10 5.87 5.41 0.34 -3.35 119.36 126.63 1x4q n ILE 22 Ca -0.05 -0.55 0.18 0.00 1.00 0.00 0.00 62.75 63.33 1x4q n ILE 22 Cb 0.68 -1.66 0.73 0.00 -0.71 0.00 0.00 39.64 38.68 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 -0.13 0.00 0.07 0.38 5.08 -1.34 0.82 114.58 119.46 1x4q h GLU 23 Ca -0.49 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.65 1x4q h GLU 23 Cb 1.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1x4q h GLU 23 CO -0.04 0.00 -1.13 1.57 -1.00 0.00 0.00 179.01 178.41 1x4q h LYS 24 N 0.00 0.14 -0.01 2.33 2.10 -1.73 -3.33 116.57 116.07 1x4q h LYS 24 Ca 0.17 -0.25 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1x4q h LYS 24 Cb 0.75 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1x4q h LYS 24 CO -0.00 1.12 -0.04 1.15 -2.00 0.00 0.00 179.45 179.67 1x4q h THR 25 N -0.59 0.88 -1.03 0.07 2.02 -1.39 -2.18 112.91 110.70 1x4q h THR 25 Ca -0.26 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.17 1x4q h THR 25 Cb 1.52 0.88 -0.10 0.00 -1.74 0.00 0.00 68.15 68.72 1x4q h THR 25 CO -0.02 0.00 0.66 0.58 0.37 0.00 0.00 175.52 177.11 1x4q h VAL 26 N -0.07 0.54 -0.01 3.16 2.07 -1.04 0.69 116.25 121.59 1x4q h VAL 26 Ca 0.02 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1x4q h VAL 26 Cb 0.10 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1x4q h VAL 26 CO -0.05 0.08 -0.37 0.50 0.02 0.00 0.00 177.57 177.74 1x4q h LYS 27 N 0.43 0.02 0.07 1.57 3.64 -1.51 -1.44 116.57 119.35 1x4q h LYS 27 Ca 0.59 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.85 1x4q h LYS 27 Cb 1.43 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1x4q h LYS 27 CO -0.31 0.39 -0.55 -0.09 -2.27 0.00 0.00 179.45 176.62 1x4q h ARG 28 N 0.02 0.14 -0.31 1.90 2.43 0.47 0.85 114.38 119.88 1x4q h ARG 28 Ca -0.00 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1x4q h ARG 28 Cb 0.67 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1x4q h ARG 28 CO 0.05 1.12 0.17 0.28 -1.51 0.00 0.00 179.97 180.08 1x4q h VAL 29 N -0.68 1.02 0.02 0.20 2.07 -0.83 -3.14 116.25 114.91 1x4q h VAL 29 Ca -0.11 -0.12 -0.31 0.00 0.82 0.00 0.00 66.70 66.98 1x4q h VAL 29 Cb 1.35 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1x4q h VAL 29 CO 0.05 0.07 -1.80 0.18 0.02 0.00 0.00 177.57 176.08 1x4q n LEU 30 N -4.92 1.14 0.00 2.57 4.77 -0.55 -4.98 117.00 115.03 1x4q n LEU 30 Ca -0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1x4q n LEU 30 Cb 0.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1x4q n LEU 30 CO 0.32 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1x4q n GLY 31 N 1.65 0.61 0.00 -0.72 0.00 0.29 -4.78 105.19 102.24 1x4q n GLY 31 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.04 1.61 1.16 -1.04 -4.87 117.46 112.28 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 -1.36 -1.84 -4.22 5.98 2.88 -1.25 -4.78 113.62 109.03 1x4q n SER 33 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1x4q n SER 33 Cb 0.24 0.74 -0.16 0.00 -0.75 0.00 0.00 64.21 64.29 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 -3.97 1.76 0.03 -1.46 2.56 -1.26 -4.92 118.70 111.43 1x4q s GLU 34 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 54.97 54.00 1x4q s GLU 34 Cb 0.00 -1.68 -0.16 0.00 2.00 0.00 0.00 34.13 34.29 1x4q s GLU 34 CO 0.00 0.44 1.33 -1.00 -0.56 0.00 0.00 175.26 175.47 1x4q h PRO 35 N 5.67 0.27 -0.36 4.30 0.13 -2.00 -2.68 132.00 137.34 1x4q h PRO 35 Ca -0.39 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1x4q h PRO 35 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1x4q h PRO 35 CO 0.48 0.68 0.24 0.00 -0.23 0.00 0.00 178.00 179.17 1x4q h THR 36 N -0.13 0.95 -0.06 1.56 1.03 -1.99 -2.31 112.91 111.96 1x4q h THR 36 Ca 0.02 -0.08 -0.06 0.00 -0.01 0.00 0.00 66.41 66.27 1x4q h THR 36 Cb 0.63 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.39 1x4q h THR 36 CO 0.03 0.04 -0.20 0.58 -0.01 0.00 0.00 175.52 175.96 1x4q h VAL 37 N 0.24 1.43 -0.79 0.00 2.07 -1.87 -2.51 116.25 114.83 1x4q h VAL 37 Ca 0.16 -1.58 0.19 0.00 0.82 0.00 0.00 66.70 66.28 1x4q h VAL 37 Cb 0.32 2.30 -0.13 0.00 -1.52 0.00 0.00 31.29 32.26 1x4q h VAL 37 CO -0.03 0.45 0.12 0.58 0.02 0.00 0.00 177.57 178.71 1x4q h VAL 38 N -0.26 0.38 -0.16 2.57 2.07 -1.06 -0.39 116.25 119.40 1x4q h VAL 38 Ca -0.01 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1x4q h VAL 38 Cb 0.82 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1x4q h VAL 38 CO 0.04 0.03 -0.21 0.74 0.02 0.00 0.00 177.57 178.19 1x4q h THR 39 N 0.18 1.35 -0.05 2.57 2.02 -1.57 -2.16 112.91 115.25 1x4q h THR 39 Ca 0.46 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1x4q h THR 39 Cb 0.84 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1x4q h THR 39 CO -0.62 0.42 0.26 0.00 0.37 0.00 0.00 175.52 175.95 1x4q h ALA 40 N 0.60 1.38 0.00 6.16 0.00 -0.66 -0.91 119.26 125.83 1x4q h ALA 40 Ca 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1x4q h ALA 40 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1x4q h ALA 40 CO 0.05 -0.29 -1.34 0.00 0.00 0.00 0.00 179.25 177.67 1x4q n ALA 41 N -2.01 0.81 -0.13 0.00 0.00 -0.44 -3.48 120.51 115.25 1x4q n ALA 41 Ca -0.01 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1x4q n ALA 41 Cb 0.33 -0.53 0.48 0.00 0.00 0.00 0.00 19.45 19.72 1x4q n ALA 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x4q h LEU 42 N -0.98 0.42 -0.16 0.00 3.38 -0.72 -1.71 115.31 115.55 1x4q h LEU 42 Ca -0.37 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1x4q h LEU 42 Cb 1.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1x4q h LEU 42 CO -0.22 0.25 -0.23 -1.13 0.09 0.00 0.00 178.44 177.20 1x4q h ASN 43 N 0.47 0.48 0.00 -0.43 -0.73 -1.36 -2.26 115.58 111.75 1x4q h ASN 43 Ca 0.32 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1x4q h ASN 43 Cb 0.61 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1x4q h ASN 43 CO -0.10 0.91 0.00 0.00 -0.37 0.00 0.00 177.43 177.87 1x4q h VAL 45 N 0.00 0.52 -0.82 0.00 -1.51 -1.63 -0.19 116.25 112.62 1x4q h VAL 45 Ca 0.00 -0.05 0.10 0.00 -1.23 0.00 0.00 66.70 65.53 1x4q h VAL 45 Cb 0.00 0.37 -0.08 0.00 -2.13 0.00 0.00 31.29 29.45 1x4q h VAL 45 CO 0.00 0.02 0.46 1.23 -1.23 0.00 0.00 177.57 178.05 1x4q h GLY 46 N 0.14 1.28 -1.87 5.19 0.00 -1.21 0.11 103.07 106.71 1x4q h GLY 46 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1x4q h GLY 46 CO -0.50 0.10 0.04 1.17 0.00 0.00 0.00 176.54 177.35 1x4q n LYS 47 N -4.77 1.84 -1.00 4.80 0.00 0.10 -3.49 118.16 115.64 1x4q n LYS 47 Ca 0.14 -0.80 -0.07 0.00 0.00 0.00 0.00 58.31 57.58 1x4q n LYS 47 Cb 0.30 -1.60 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 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 0.14 0.63 3.15 3.14 0.00 0.37 -4.88 105.19 107.74 1x4q n GLY 48 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.72 -0.78 -4.32 1.61 2.81 -0.32 -4.48 117.12 110.92 1x4q n MET 49 Ca -0.07 -0.22 -0.28 0.00 -1.81 0.00 0.00 57.70 55.32 1x4q n MET 49 Cb 0.35 -1.38 -0.11 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.46 3.90 0.39 7.83 1.11 -1.26 -4.80 116.67 122.38 1x4q s ASP 50 Ca 0.47 -0.61 0.22 0.00 0.18 0.00 0.00 52.55 52.81 1x4q s ASP 50 Cb -0.03 -0.54 1.29 0.00 1.07 0.00 0.00 42.92 44.70 1x4q s ASP 50 CO 0.67 0.15 1.63 0.11 1.18 0.00 0.00 175.17 178.91 1x4q h LYS 51 N 3.47 0.14 -0.06 8.23 1.57 -1.95 0.65 116.57 128.60 1x4q h LYS 51 Ca -0.49 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1x4q h LYS 51 Cb 1.18 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x4q h LYS 51 CO 0.48 0.09 -0.01 0.87 -0.57 0.00 0.00 179.45 180.31 1x4q h LYS 52 N 0.14 0.12 0.35 3.15 1.57 -2.00 -2.67 116.57 117.23 1x4q h LYS 52 Ca 0.80 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.52 1x4q h LYS 52 Cb 2.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.47 1x4q h LYS 52 CO -0.58 0.43 -0.17 0.87 -0.57 0.00 0.00 179.45 179.44 1x4q h LYS 53 N -0.20 -0.45 -0.88 3.15 1.57 -0.52 -3.25 116.57 115.99 1x4q h LYS 53 Ca 0.02 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1x4q h LYS 53 Cb 0.39 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 32.65 1x4q h LYS 53 CO 0.01 -0.30 -0.30 0.00 -0.57 0.00 0.00 179.45 178.29 1x4q n ALA 54 N -2.52 0.00 -0.22 3.86 0.00 0.18 0.32 120.51 122.14 1x4q n ALA 54 Ca -0.06 0.91 -0.04 0.00 0.00 0.00 0.00 53.44 54.25 1x4q n ALA 54 Cb 0.18 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.20 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 1.40 0.10 -0.61 0.00 0.00 -1.56 0.72 119.26 119.30 1x4q h ALA 55 Ca 0.34 0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.63 1x4q h ALA 55 Cb 0.56 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1x4q h ALA 55 CO -0.88 -0.61 0.45 0.22 0.00 0.00 0.00 179.25 178.44 1x4q h ASP 56 N -0.12 0.00 1.03 0.00 1.82 -0.16 0.47 116.42 119.46 1x4q h ASP 56 Ca 0.26 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.70 1x4q h ASP 56 Cb 0.54 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1x4q h ASP 56 CO -0.70 0.00 -0.98 -0.74 -1.61 0.00 0.00 179.24 175.21 1x4q h HIS 57 N 0.00 0.00 -0.02 0.28 2.76 0.66 -3.22 115.15 115.62 1x4q h HIS 57 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1x4q h HIS 57 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1x4q h HIS 57 CO 0.00 0.94 -0.15 1.28 -1.30 0.00 0.00 177.93 178.70 1x4q n LEU 58 N -3.32 1.66 0.40 0.26 4.77 0.83 -4.37 117.00 117.24 1x4q n LEU 58 Ca -0.01 -0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 55.24 1x4q n LEU 58 Cb 0.92 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 1x4q n LEU 58 CO 0.46 0.29 0.54 0.11 -1.33 0.00 0.00 177.39 177.47 1x4q h LYS 59 N 2.37 -1.11 0.00 3.23 6.56 -0.26 1.95 116.57 129.31 1x4q h LYS 59 Ca 0.00 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1x4q h LYS 59 Cb 0.62 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1x4q h LYS 59 CO 0.00 -0.74 0.00 -0.35 -2.06 0.00 0.00 179.45 176.30 1x4q n PRO 60 N -5.61 0.23 -0.00 3.15 -0.04 -1.26 0.19 135.00 131.66 1x4q n PRO 60 Ca -0.14 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1x4q n PRO 60 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.26 0.00 0.00 0.54 3.72 -0.80 -4.87 117.46 114.79 1x4q n PHE 61 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1x4q n PHE 61 Cb 0.11 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.56 0.00 0.00 4.37 4.77 0.66 -4.83 117.00 120.41 1x4q n LEU 62 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1x4q n LEU 62 Cb 0.19 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1x4q n LEU 62 CO 0.18 -0.32 0.00 0.47 -1.33 0.00 0.00 177.39 176.38 1x4q n ASP 63 N -2.15 0.00 0.14 -1.43 9.92 0.50 -1.18 116.55 122.36 1x4q n ASP 63 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1x4q n ASP 63 Cb 0.00 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 40.99 1x4q n ASP 63 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1x4q h ASP 64 N 0.00 0.00 -0.11 -2.24 5.19 -1.92 -2.68 116.42 114.66 1x4q h ASP 64 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1x4q h ASP 64 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1x4q h ASP 64 CO 0.00 0.00 -0.25 -1.20 -3.12 0.00 0.00 179.24 174.67 1x4q n SER 65 N -2.31 2.20 0.00 6.45 7.64 -0.32 -4.77 113.62 122.50 1x4q n SER 65 Ca 0.02 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1x4q n SER 65 Cb 0.24 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.14 0.00 0.03 0.44 -1.04 -1.01 -2.24 114.28 109.32 1x4q n THR 66 Ca 0.22 0.28 0.20 0.00 -2.04 0.00 0.00 64.05 62.72 1x4q n THR 66 Cb 0.79 -1.00 0.55 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.17 -4.42 3.38 -1.87 0.64 115.31 113.21 1x4q h LEU 67 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1x4q h LEU 67 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x4q h LEU 67 CO 0.00 0.00 -1.83 -0.09 0.09 0.00 0.00 178.44 176.61 1x4q h ARG 68 N 0.00 0.35 0.15 1.13 2.43 -1.86 -3.30 114.38 113.28 1x4q h ARG 68 Ca 0.26 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1x4q h ARG 68 Cb 1.86 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1x4q h ARG 68 CO -0.00 1.29 -0.07 0.35 -1.51 0.00 0.00 179.97 180.02 1x4q h PHE 69 N 0.08 -0.19 -0.94 2.20 3.04 0.64 -3.21 116.94 118.56 1x4q h PHE 69 Ca -0.37 -0.00 0.27 0.00 3.98 0.00 0.00 57.97 61.85 1x4q h PHE 69 Cb 2.07 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 40.61 1x4q h PHE 69 CO 0.10 -0.12 0.99 -0.24 -2.02 0.00 0.00 178.31 177.02 1x4q h VAL 70 N -0.41 0.13 -0.67 1.41 3.04 -1.17 0.85 116.25 119.42 1x4q h VAL 70 Ca -0.02 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.61 1x4q h VAL 70 Cb 0.16 0.22 -0.03 0.00 -2.01 0.00 0.00 31.29 29.63 1x4q h VAL 70 CO 0.03 0.00 0.19 -0.78 -1.01 0.00 0.00 177.57 176.00 1x4q h ASP 71 N 0.00 1.00 0.80 3.17 3.58 -1.63 -2.49 116.42 120.85 1x4q h ASP 71 Ca 0.45 -0.22 -0.24 0.00 0.42 0.00 0.00 57.03 57.43 1x4q h ASP 71 Cb 2.43 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 43.18 1x4q h ASP 71 CO -0.00 0.96 -1.25 0.11 -2.88 0.00 0.00 179.24 176.18 1x4q h LYS 72 N 1.00 0.04 0.64 0.28 1.79 0.64 -3.30 116.57 117.65 1x4q h LYS 72 Ca 0.21 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1x4q h LYS 72 Cb 0.34 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1x4q h LYS 72 CO -0.00 0.89 -0.38 1.25 -1.08 0.00 0.00 179.45 180.13 1x4q h LEU 73 N 0.01 -0.94 -0.97 2.94 5.85 -1.15 0.66 115.31 121.71 1x4q h LEU 73 Ca -0.11 0.05 0.22 0.00 0.84 0.00 0.00 57.88 58.88 1x4q h LEU 73 Cb 1.87 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 43.05 1x4q h LEU 73 CO 0.12 -0.59 0.54 -0.26 -0.34 0.00 0.00 178.44 177.92 1x4q h PHE 74 N -0.94 0.92 0.00 1.25 -1.00 -1.62 0.78 116.94 116.34 1x4q h PHE 74 Ca -0.09 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 1x4q h PHE 74 Cb 0.75 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1x4q h PHE 74 CO -0.04 0.07 -0.18 1.49 -1.61 0.00 0.00 178.31 178.04 1x4q h GLU 75 N 0.57 0.00 -0.28 1.51 4.81 -1.57 -3.14 114.58 116.49 1x4q h GLU 75 Ca 0.60 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.87 1x4q h GLU 75 Cb 1.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1x4q h GLU 75 CO -0.47 0.18 0.07 0.00 -0.73 0.00 0.00 179.01 178.07 1x4q h ALA 76 N 1.82 0.30 -0.93 2.92 0.00 0.30 0.39 119.26 124.06 1x4q h ALA 76 Ca -0.00 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.22 1x4q h ALA 76 Cb 0.66 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 1x4q h ALA 76 CO 0.02 -0.34 0.38 0.28 0.00 0.00 0.00 179.25 179.60 1x4q h VAL 77 N 0.19 0.33 0.00 0.00 2.07 -1.51 0.69 116.25 118.01 1x4q h VAL 77 Ca 0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1x4q h VAL 77 Cb 0.11 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1x4q h VAL 77 CO -0.15 0.05 -0.91 -0.33 0.02 0.00 0.00 177.57 176.26 1x4q h GLU 78 N 0.28 0.00 0.13 1.57 4.39 -1.57 -3.10 114.58 116.28 1x4q h GLU 78 Ca 0.62 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.32 1x4q h GLU 78 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1x4q h GLU 78 CO -0.62 0.00 -0.06 1.49 -1.16 0.00 0.00 179.01 178.65 1x4q h GLU 79 N 0.00 -0.17 -0.62 2.33 4.22 0.45 0.08 114.58 120.87 1x4q h GLU 79 Ca 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 1x4q h GLU 79 Cb 0.92 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1x4q h GLU 79 CO 0.00 -0.11 0.04 0.78 -2.18 0.00 0.00 179.01 177.53 1x4q h GLY 80 N -0.86 1.15 0.00 1.92 0.00 -0.46 -3.34 103.07 101.48 1x4q h GLY 80 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1x4q h GLY 80 CO 0.03 0.75 -0.08 3.21 0.00 0.00 0.00 176.54 180.46 1x4q h ARG 81 N 0.98 0.00 -6.09 4.80 3.08 -1.67 -3.50 114.38 111.99 1x4q h ARG 81 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1x4q h ARG 81 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1x4q h ARG 81 CO 0.02 0.00 -1.01 -1.13 -1.07 0.00 0.00 179.97 176.79 1x4q n SER 82 N -4.13 -6.71 -0.10 7.04 3.41 0.01 -4.97 113.62 108.17 1x4q n SER 82 Ca -0.01 0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.88 1x4q n SER 82 Cb 0.04 -2.63 -0.08 0.00 -0.26 0.00 0.00 64.21 61.28 1x4q n SER 82 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4q n SER 83 N 0.69 1.78 -0.31 4.04 7.64 -1.26 -4.65 113.62 121.55 1x4q n SER 83 Ca -0.01 0.14 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 1x4q n SER 83 Cb 0.45 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 1x4q n SER 83 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1x4q h ARG 84 N -0.51 -0.12 -5.91 1.43 1.12 -1.95 -3.35 114.38 105.09 1x4q h ARG 84 Ca -0.50 0.01 -0.59 0.00 -1.11 0.00 0.00 59.98 57.80 1x4q h ARG 84 Cb 1.52 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 31.44 1x4q h ARG 84 CO -0.24 -0.08 0.54 -1.58 -3.11 0.00 0.00 179.97 175.50 1x4q s HIS 85 N -5.73 3.35 -0.21 2.20 2.46 -1.26 -5.03 115.29 111.07 1x4q s HIS 85 Ca -0.13 1.26 -0.16 0.00 0.47 0.00 0.00 55.06 56.49 1x4q s HIS 85 Cb 0.14 -3.10 -0.04 0.00 -0.13 0.00 0.00 32.58 29.45 1x4q s HIS 85 CO 0.66 -0.38 0.43 -1.12 -2.47 0.00 0.00 174.74 171.85 1x4q s SER 86 N 1.26 6.45 0.60 9.88 0.01 -1.26 -4.92 113.70 125.71 1x4q s SER 86 Ca 0.38 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1x4q s SER 86 Cb -0.16 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x4q s SER 86 CO 0.08 -0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.42 1x4q n SER 87 N 4.65 -7.68 0.00 2.44 7.64 -1.26 -4.91 113.62 114.49 1x4q n SER 87 Ca -0.07 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1x4q n SER 87 Cb 0.51 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 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 -3.91 1.23 0.07 0.23 0.00 -1.26 -4.77 105.19 96.78 1x4q n GLY 88 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1x4q n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4q h PRO 89 N 0.00 -0.05 0.00 1.61 0.13 -1.97 -3.47 132.00 128.25 1x4q h PRO 89 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4q h PRO 89 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x4q h PRO 89 CO 0.00 0.42 0.00 0.45 -0.23 0.00 0.00 178.00 178.64 1x4q n SER 90 N -4.88 0.00 -0.09 1.44 2.88 -1.26 -3.89 113.62 107.81 1x4q n SER 90 Ca -0.08 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 1x4q n SER 90 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1x4q n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 91 N 4.00 1.67 0.00 -3.46 7.64 -1.26 -5.21 113.62 117.00 1x4q n SER 91 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1x4q n SER 91 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64