#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 0.00 1.61 2.88 -1.26 -5.17 113.62 111.68 1x4q n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x4q n SER 2 Cb 0.00 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1x4q n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 3 N -2.03 0.00 -3.31 -3.46 2.88 -1.26 -5.13 113.62 101.30 1x4q n SER 3 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1x4q n SER 3 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1x4q n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4q s GLY 4 N 0.00 -0.40 -0.12 0.46 0.00 -1.26 -4.95 107.32 101.05 1x4q s GLY 4 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 44.02 1x4q s GLY 4 CO 0.00 3.02 -0.13 0.23 0.00 0.00 0.00 173.10 176.23 1x4q h SER 5 N 7.01 0.00 0.00 1.64 0.87 -2.01 -3.44 113.55 117.62 1x4q h SER 5 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1x4q h SER 5 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x4q h SER 5 CO 0.17 0.63 -0.23 -1.28 -0.53 0.00 0.00 176.83 175.59 1x4q h SER 6 N -0.91 0.00 0.00 6.23 0.87 -1.95 -3.50 113.55 114.29 1x4q h SER 6 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1x4q h SER 6 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1x4q h SER 6 CO 0.00 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 1x4q n GLY 7 N 1.70 4.79 1.51 5.77 0.00 -1.26 -4.85 105.19 112.85 1x4q n GLY 7 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -2.15 1.61 0.00 -1.26 -4.60 117.12 110.72 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 -2.26 -1.99 -2.80 -5.12 0.00 -1.25 -4.97 120.51 102.12 1x4q n ALA 9 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 1x4q n ALA 9 Cb 0.00 -1.49 -0.04 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 -0.54 3.85 0.42 0.00 1.43 -1.25 -5.04 118.68 117.55 1x4q s LEU 10 Ca 0.00 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1x4q s LEU 10 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1x4q s LEU 10 CO 0.00 -0.08 0.73 -0.44 0.23 0.00 0.00 176.35 176.79 1x4q s SER 11 N -3.88 6.38 0.26 2.29 0.01 -1.26 -4.84 113.70 112.65 1x4q s SER 11 Ca 0.34 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.47 1x4q s SER 11 Cb -0.08 -2.24 0.49 0.00 0.21 0.00 0.00 66.02 64.40 1x4q s SER 11 CO 0.26 -0.44 1.63 0.50 0.41 0.00 0.00 173.24 175.60 1x4q h LYS 12 N 0.84 0.10 -0.52 12.44 3.64 -1.99 0.29 116.57 131.36 1x4q h LYS 12 Ca -0.47 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1x4q h LYS 12 Cb 1.20 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1x4q h LYS 12 CO 0.63 0.06 -0.15 0.07 -2.27 0.00 0.00 179.45 177.80 1x4q h ARG 13 N 0.10 1.00 0.21 1.90 0.11 -1.99 -1.44 114.38 114.28 1x4q h ARG 13 Ca 0.44 -0.39 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 1x4q h ARG 13 Cb 0.80 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 1x4q h ARG 13 CO -0.70 1.07 -0.16 0.93 0.10 0.00 0.00 179.97 181.20 1x4q h GLU 14 N 0.88 -0.37 -0.45 0.08 4.39 -0.90 -2.56 114.58 115.65 1x4q h GLU 14 Ca 0.13 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1x4q h GLU 14 Cb 0.71 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1x4q h GLU 14 CO 0.05 -0.24 0.06 -0.07 -1.16 0.00 0.00 179.01 177.65 1x4q h LEU 15 N -0.38 0.66 -1.70 1.33 3.38 -0.92 -2.39 115.31 115.29 1x4q h LEU 15 Ca -0.01 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.96 1x4q h LEU 15 Cb 0.34 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1x4q h LEU 15 CO -0.01 0.69 0.43 -0.78 0.09 0.00 0.00 178.44 178.86 1x4q h ASP 16 N 0.67 0.29 0.95 -0.43 3.58 -0.87 0.46 116.42 121.08 1x4q h ASP 16 Ca 0.14 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1x4q h ASP 16 Cb 0.33 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1x4q h ASP 16 CO 0.01 0.17 0.00 -0.62 -2.88 0.00 0.00 179.24 175.91 1x4q n GLU 17 N -4.45 0.13 -0.05 0.28 1.02 -0.90 -3.08 120.64 113.58 1x4q n GLU 17 Ca 0.11 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 57.35 1x4q n GLU 17 Cb 0.47 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 1x4q n GLU 17 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x4q n LEU 18 N -1.93 1.44 -0.32 -4.62 4.32 0.15 -4.07 117.00 111.98 1x4q n LEU 18 Ca 0.04 0.17 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1x4q n LEU 18 Cb 0.30 -0.24 -0.10 0.00 -1.62 0.00 0.00 43.42 41.75 1x4q n LEU 18 CO 0.23 0.62 0.49 0.11 -1.22 0.00 0.00 177.39 177.62 1x4q h LYS 19 N 0.02 -0.14 0.00 3.23 1.57 -1.23 1.08 116.57 121.10 1x4q h LYS 19 Ca -0.43 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1x4q h LYS 19 Cb 2.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.40 1x4q h LYS 19 CO 0.04 -0.09 0.00 -0.35 -0.57 0.00 0.00 179.45 178.48 1x4q n PRO 20 N -5.30 0.09 0.02 3.15 -0.04 -1.26 -1.09 135.00 130.57 1x4q n PRO 20 Ca -0.00 0.33 0.02 0.00 -0.04 0.00 0.00 63.50 63.81 1x4q n PRO 20 Cb 0.29 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.83 0.70 -0.05 0.54 -0.00 0.27 -3.92 117.44 113.15 1x4q n TRP 21 Ca 0.03 0.23 -0.17 0.00 -0.00 0.00 0.00 57.50 57.59 1x4q n TRP 21 Cb 0.19 -0.97 -0.14 0.00 -0.00 0.00 0.00 31.31 30.39 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 -2.75 1.63 -0.16 5.87 5.41 0.30 -3.42 119.36 126.23 1x4q n ILE 22 Ca -0.11 -0.69 0.02 0.00 1.00 0.00 0.00 62.75 62.98 1x4q n ILE 22 Cb 0.80 -1.37 0.30 0.00 -0.71 0.00 0.00 39.64 38.67 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 0.03 0.85 0.00 0.38 5.08 -1.30 0.16 114.58 119.78 1x4q h GLU 23 Ca -0.45 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 57.69 1x4q h GLU 23 Cb 2.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 1x4q h GLU 23 CO 0.04 0.56 -0.86 1.57 -1.00 0.00 0.00 179.01 179.32 1x4q h LYS 24 N 0.88 0.00 -0.02 2.33 2.10 -1.74 -3.22 116.57 116.89 1x4q h LYS 24 Ca 0.25 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.85 1x4q h LYS 24 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1x4q h LYS 24 CO -0.06 0.76 -0.19 1.15 -2.00 0.00 0.00 179.45 179.11 1x4q h THR 25 N 0.00 1.51 -0.91 0.07 2.02 -1.35 -3.23 112.91 111.03 1x4q h THR 25 Ca -0.03 -1.78 0.10 0.00 0.77 0.00 0.00 66.41 65.48 1x4q h THR 25 Cb 1.63 2.60 -0.07 0.00 -1.74 0.00 0.00 68.15 70.57 1x4q h THR 25 CO 0.10 0.49 0.58 0.58 0.37 0.00 0.00 175.52 177.64 1x4q h VAL 26 N -0.46 0.95 0.00 3.16 2.07 -0.83 0.23 116.25 121.37 1x4q h VAL 26 Ca -0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1x4q h VAL 26 Cb 0.90 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1x4q h VAL 26 CO 0.04 0.16 0.00 0.50 0.02 0.00 0.00 177.57 178.29 1x4q h LYS 27 N 0.88 0.00 0.05 1.57 3.64 -1.60 -0.78 116.57 120.33 1x4q h LYS 27 Ca 0.43 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.50 1x4q h LYS 27 Cb 0.45 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1x4q h LYS 27 CO -0.19 0.00 -1.68 -2.13 -2.27 0.00 0.00 179.45 173.18 1x4q n ARG 28 N -3.00 0.64 -0.14 1.90 0.63 0.68 -1.15 116.66 116.22 1x4q n ARG 28 Ca -0.01 0.42 -0.09 0.00 -0.92 0.00 0.00 57.85 57.25 1x4q n ARG 28 Cb 0.19 -1.71 -0.00 0.00 0.45 0.00 0.00 32.46 31.39 1x4q n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1x4q h VAL 29 N -0.56 1.21 0.01 5.15 2.07 -1.00 -3.21 116.25 119.93 1x4q h VAL 29 Ca -0.41 -0.66 -0.31 0.00 0.82 0.00 0.00 66.70 66.14 1x4q h VAL 29 Cb 1.63 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1x4q h VAL 29 CO -0.11 0.24 -1.81 0.18 0.02 0.00 0.00 177.57 176.09 1x4q n LEU 30 N -4.60 0.99 0.00 2.57 4.77 -0.31 -4.98 117.00 115.44 1x4q n LEU 30 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1x4q n LEU 30 Cb 0.16 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1x4q n LEU 30 CO 0.38 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1x4q n GLY 31 N 1.63 2.89 0.01 -0.72 0.00 -0.30 -4.74 105.19 103.95 1x4q n GLY 31 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.39 1.61 1.16 -1.22 -4.85 117.46 111.77 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 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 37.80 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 -1.89 -2.75 -4.22 5.98 2.88 -1.25 -4.84 113.62 107.52 1x4q n SER 33 Ca -0.02 0.14 -0.30 0.00 -1.33 0.00 0.00 58.87 57.36 1x4q n SER 33 Cb 0.38 -0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 63.31 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 -3.37 2.45 0.07 -1.46 2.56 -1.26 -4.92 118.70 112.76 1x4q s GLU 34 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 54.97 53.98 1x4q s GLU 34 Cb 0.00 -2.02 -0.12 0.00 2.00 0.00 0.00 34.13 33.99 1x4q s GLU 34 CO 0.00 0.29 1.38 -1.00 -0.56 0.00 0.00 175.26 175.37 1x4q h PRO 35 N 6.28 0.52 -0.40 4.30 0.13 -2.00 -2.69 132.00 138.15 1x4q h PRO 35 Ca -0.29 -0.28 0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1x4q h PRO 35 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x4q h PRO 35 CO 0.47 0.86 0.27 0.00 -0.23 0.00 0.00 178.00 179.37 1x4q h THR 36 N 0.20 1.01 -0.03 1.56 1.03 -1.99 -2.53 112.91 112.16 1x4q h THR 36 Ca 0.03 -0.14 -0.03 0.00 -0.01 0.00 0.00 66.41 66.27 1x4q h THR 36 Cb 0.76 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1x4q h THR 36 CO 0.05 0.07 -0.10 0.58 -0.01 0.00 0.00 175.52 176.11 1x4q h VAL 37 N 0.39 1.46 -1.03 0.00 2.07 -1.87 -2.43 116.25 114.84 1x4q h VAL 37 Ca 0.17 -1.52 0.27 0.00 0.82 0.00 0.00 66.70 66.44 1x4q h VAL 37 Cb 0.17 2.39 -0.12 0.00 -1.52 0.00 0.00 31.29 32.21 1x4q h VAL 37 CO -0.04 0.41 0.62 0.58 0.02 0.00 0.00 177.57 179.17 1x4q h VAL 38 N -0.44 0.47 0.04 2.57 2.07 -1.11 0.11 116.25 119.96 1x4q h VAL 38 Ca -0.00 -0.16 -0.26 0.00 0.82 0.00 0.00 66.70 67.10 1x4q h VAL 38 Cb 0.73 -0.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1x4q h VAL 38 CO 0.02 0.08 -1.05 0.74 0.02 0.00 0.00 177.57 177.39 1x4q h THR 39 N 0.46 1.30 -0.00 2.57 2.02 -1.52 -2.71 112.91 115.04 1x4q h THR 39 Ca 0.66 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1x4q h THR 39 Cb 1.45 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1x4q h THR 39 CO -0.45 0.70 0.10 0.00 0.37 0.00 0.00 175.52 176.24 1x4q h ALA 40 N 0.34 1.12 0.02 6.16 0.00 -0.31 -1.75 119.26 124.84 1x4q h ALA 40 Ca -0.14 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1x4q h ALA 40 Cb 1.72 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1x4q h ALA 40 CO 0.20 -0.10 -1.56 0.00 0.00 0.00 0.00 179.25 177.80 1x4q n ALA 41 N -2.04 0.87 -0.06 0.00 0.00 -0.68 -3.48 120.51 115.13 1x4q n ALA 41 Ca -0.03 -0.60 0.17 0.00 0.00 0.00 0.00 53.44 52.98 1x4q n ALA 41 Cb 0.16 -0.47 0.60 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.85 0.19 -0.04 0.00 3.38 -1.11 -1.48 115.31 115.40 1x4q h LEU 42 Ca -0.41 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1x4q h LEU 42 Cb 1.45 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.18 1x4q h LEU 42 CO -0.20 0.10 -0.49 -1.13 0.09 0.00 0.00 178.44 176.81 1x4q h ASN 43 N 0.20 0.49 0.00 -0.43 -0.73 -1.50 -2.84 115.58 110.77 1x4q h ASN 43 Ca 0.28 -0.71 0.00 0.00 1.87 0.00 0.00 56.30 57.74 1x4q h ASN 43 Cb 0.83 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1x4q h ASN 43 CO -0.05 1.13 0.00 0.00 -0.37 0.00 0.00 177.43 178.14 1x4q h VAL 45 N 0.00 0.52 -0.08 0.00 -1.51 -1.66 0.32 116.25 113.84 1x4q h VAL 45 Ca 0.00 -0.06 -0.16 0.00 -1.23 0.00 0.00 66.70 65.25 1x4q h VAL 45 Cb 0.00 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 29.49 1x4q h VAL 45 CO 0.00 0.03 -0.64 1.23 -1.23 0.00 0.00 177.57 176.96 1x4q h GLY 46 N 0.17 0.35 -2.02 5.19 0.00 -1.11 -2.96 103.07 102.70 1x4q h GLY 46 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1x4q h GLY 46 CO -0.11 0.41 0.00 1.17 0.00 0.00 0.00 176.54 178.00 1x4q n LYS 47 N -3.86 2.53 -1.30 4.80 4.81 0.22 -3.83 118.16 121.53 1x4q n LYS 47 Ca -0.03 -1.80 -0.11 0.00 -0.87 0.00 0.00 58.31 55.51 1x4q n LYS 47 Cb 0.65 -1.56 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4q n GLY 48 N 0.98 1.02 3.17 3.14 0.00 -0.61 -4.79 105.19 108.09 1x4q n GLY 48 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.76 -0.52 -4.17 1.61 2.81 -0.82 -4.41 117.12 110.87 1x4q n MET 49 Ca -0.11 -0.14 -0.30 0.00 -1.81 0.00 0.00 57.70 55.35 1x4q n MET 49 Cb 0.58 -1.39 -0.09 0.00 -0.71 0.00 0.00 33.22 31.62 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 4.81 0.47 7.83 1.11 -1.26 -4.84 116.67 123.34 1x4q s ASP 50 Ca 0.47 -0.24 0.37 0.00 0.18 0.00 0.00 52.55 53.32 1x4q s ASP 50 Cb -0.09 -1.08 1.54 0.00 1.07 0.00 0.00 42.92 44.36 1x4q s ASP 50 CO 0.70 0.18 1.60 0.11 1.18 0.00 0.00 175.17 178.94 1x4q h LYS 51 N 3.52 0.03 0.25 8.23 1.57 -1.97 0.44 116.57 128.65 1x4q h LYS 51 Ca -0.48 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1x4q h LYS 51 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x4q h LYS 51 CO 0.57 0.02 -0.12 0.87 -0.57 0.00 0.00 179.45 180.22 1x4q h LYS 52 N 0.03 -0.33 0.73 3.15 1.79 -2.01 -3.09 116.57 116.84 1x4q h LYS 52 Ca 0.87 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 59.33 1x4q h LYS 52 Cb 2.98 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 33.72 1x4q h LYS 52 CO -0.32 0.03 -0.35 0.87 -1.08 0.00 0.00 179.45 178.60 1x4q h LYS 53 N -0.79 -0.94 -0.75 3.15 1.57 -0.68 -3.15 116.57 114.97 1x4q h LYS 53 Ca -0.03 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1x4q h LYS 53 Cb 0.51 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.93 1x4q h LYS 53 CO 0.06 -0.60 -0.37 0.00 -0.57 0.00 0.00 179.45 177.97 1x4q n ALA 54 N -2.61 -0.28 -0.13 3.86 0.00 0.57 0.37 120.51 122.29 1x4q n ALA 54 Ca -0.13 0.70 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 1x4q n ALA 54 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 0.72 -0.20 -0.94 0.00 0.00 -1.53 0.35 119.26 117.66 1x4q h ALA 55 Ca 0.19 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.44 1x4q h ALA 55 Cb 0.38 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1x4q h ALA 55 CO -0.73 -0.74 0.63 0.22 0.00 0.00 0.00 179.25 178.63 1x4q h ASP 56 N -0.25 0.33 1.22 0.00 1.82 -0.04 1.02 116.42 120.52 1x4q h ASP 56 Ca 0.17 0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.70 1x4q h ASP 56 Cb 0.55 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 1x4q h ASP 56 CO -0.56 0.11 -0.80 -0.74 -1.61 0.00 0.00 179.24 175.65 1x4q h HIS 57 N 0.32 0.00 -0.18 0.28 2.76 0.30 -3.22 115.15 115.42 1x4q h HIS 57 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 1x4q h HIS 57 Cb 1.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.33 1x4q h HIS 57 CO -0.00 0.71 0.00 1.28 -1.30 0.00 0.00 177.93 178.62 1x4q n LEU 58 N -3.24 2.74 0.38 0.26 4.77 0.14 -4.42 117.00 117.61 1x4q n LEU 58 Ca -0.00 -1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 54.75 1x4q n LEU 58 Cb 0.83 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1x4q n LEU 58 CO 0.43 0.53 0.52 0.50 -1.33 0.00 0.00 177.39 178.04 1x4q h LYS 59 N 3.88 -0.93 0.00 3.23 1.63 0.81 0.87 116.57 126.07 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 0.84 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1x4q h LYS 59 CO 0.00 -0.60 0.00 -0.35 -3.45 0.00 0.00 179.45 175.05 1x4q n PRO 60 N -5.46 0.24 -0.06 1.90 -0.04 -1.26 0.47 135.00 130.79 1x4q n PRO 60 Ca -0.13 0.13 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1x4q n PRO 60 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.04 0.54 3.72 -1.05 -4.89 117.46 114.56 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 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 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 -2.42 0.13 0.00 4.37 4.77 0.30 -4.86 117.00 119.29 1x4q n LEU 62 Ca -0.19 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1x4q n LEU 62 Cb 0.86 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1x4q n LEU 62 CO 0.27 -0.47 0.00 0.47 -1.33 0.00 0.00 177.39 176.34 1x4q n ASP 63 N -2.99 0.00 0.15 -1.43 8.00 0.18 -2.49 116.55 117.96 1x4q n ASP 63 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1x4q n ASP 63 Cb 0.14 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.75 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1x4q h ASP 64 N 0.00 0.00 -0.20 -2.24 3.58 -1.92 -2.83 116.42 112.81 1x4q h ASP 64 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1x4q h ASP 64 Cb 0.00 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.88 1x4q h ASP 64 CO 0.00 0.00 -0.67 -1.20 -2.88 0.00 0.00 179.24 174.49 1x4q n SER 65 N -2.34 2.40 0.00 2.28 7.64 -1.04 -4.83 113.62 117.73 1x4q n SER 65 Ca 0.02 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.33 1x4q n SER 65 Cb 0.24 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.81 0.00 -0.44 0.44 -1.04 -1.07 -2.62 114.28 108.74 1x4q n THR 66 Ca 0.23 0.32 0.38 0.00 -2.04 0.00 0.00 64.05 62.93 1x4q n THR 66 Cb 0.82 -1.15 0.71 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.12 0.15 -4.42 3.38 -1.89 0.45 115.31 113.10 1x4q h LEU 67 Ca 0.00 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1x4q h LEU 67 Cb 0.00 0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1x4q h LEU 67 CO 0.00 -0.03 -0.87 -0.09 0.09 0.00 0.00 178.44 177.55 1x4q h ARG 68 N 0.08 0.31 0.32 1.13 2.43 -1.88 -3.22 114.38 113.56 1x4q h ARG 68 Ca 0.71 -0.53 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1x4q h ARG 68 Cb 2.57 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 32.32 1x4q h ARG 68 CO -0.14 1.26 -0.16 0.35 -1.51 0.00 0.00 179.97 179.77 1x4q h PHE 69 N -0.34 -0.40 -0.56 2.20 3.04 -0.06 -3.01 116.94 117.80 1x4q h PHE 69 Ca -0.15 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 61.95 1x4q h PHE 69 Cb 1.68 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 40.30 1x4q h PHE 69 CO 0.19 -0.25 0.88 -0.24 -2.02 0.00 0.00 178.31 176.87 1x4q h VAL 70 N -0.60 0.09 -0.50 1.41 3.04 -0.67 0.89 116.25 119.90 1x4q h VAL 70 Ca -0.04 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.52 1x4q h VAL 70 Cb 0.33 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 29.84 1x4q h VAL 70 CO 0.07 0.00 -0.17 -0.78 -1.01 0.00 0.00 177.57 175.68 1x4q h ASP 71 N 0.00 1.03 0.26 3.17 3.58 -1.53 -2.84 116.42 120.09 1x4q h ASP 71 Ca 0.27 -0.38 -0.29 0.00 0.42 0.00 0.00 57.03 57.05 1x4q h ASP 71 Cb 2.03 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 42.82 1x4q h ASP 71 CO -0.00 1.17 -1.21 0.11 -2.88 0.00 0.00 179.24 176.42 1x4q h LYS 72 N 0.87 0.52 0.19 0.28 1.79 0.79 -3.24 116.57 117.78 1x4q h LYS 72 Ca 0.12 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1x4q h LYS 72 Cb 0.75 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1x4q h LYS 72 CO 0.06 1.31 -0.35 1.25 -1.08 0.00 0.00 179.45 180.64 1x4q h LEU 73 N 0.23 -1.02 -0.70 2.94 5.85 -1.38 0.64 115.31 121.88 1x4q h LEU 73 Ca -0.17 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.80 1x4q h LEU 73 Cb 1.89 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 43.15 1x4q h LEU 73 CO 0.22 -0.41 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.57 1x4q h PHE 74 N -0.58 -0.20 0.00 1.25 -1.00 -1.65 0.83 116.94 115.59 1x4q h PHE 74 Ca -0.02 0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1x4q h PHE 74 Cb 0.55 0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 1x4q h PHE 74 CO -0.31 -0.26 -0.08 0.93 -1.61 0.00 0.00 178.31 176.99 1x4q h GLU 75 N 0.05 0.00 -0.76 1.51 5.08 -1.48 -2.85 114.58 116.13 1x4q h GLU 75 Ca 0.36 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1x4q h GLU 75 Cb 0.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1x4q h GLU 75 CO -0.66 0.08 0.50 0.00 -1.00 0.00 0.00 179.01 177.92 1x4q h ALA 76 N 1.92 1.45 -0.70 3.43 0.00 0.67 -0.12 119.26 125.91 1x4q h ALA 76 Ca -0.00 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1x4q h ALA 76 Cb 0.49 -0.31 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1x4q h ALA 76 CO 0.01 0.51 0.01 0.28 0.00 0.00 0.00 179.25 180.06 1x4q h VAL 77 N 1.03 0.42 0.00 0.00 2.07 -1.34 0.42 116.25 118.84 1x4q h VAL 77 Ca 0.28 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1x4q h VAL 77 Cb -0.11 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1x4q h VAL 77 CO -0.06 0.02 -0.73 -0.33 0.02 0.00 0.00 177.57 176.50 1x4q h GLU 78 N 0.12 0.00 -0.02 1.57 4.39 -1.67 -2.47 114.58 116.50 1x4q h GLU 78 Ca 0.37 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.87 1x4q h GLU 78 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1x4q h GLU 78 CO -0.60 0.00 -0.85 1.49 -1.16 0.00 0.00 179.01 177.89 1x4q h GLU 79 N 0.00 0.32 0.01 2.33 4.57 0.11 -2.73 114.58 119.19 1x4q h GLU 79 Ca 0.00 -0.32 -0.39 0.00 -1.18 0.00 0.00 59.36 57.47 1x4q h GLU 79 Cb 0.84 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.46 1x4q h GLU 79 CO 0.00 1.00 -2.24 0.41 -1.18 0.00 0.00 179.01 177.00 1x4q n GLY 80 N 0.79 -0.51 0.34 1.92 0.00 0.12 -2.63 105.19 105.22 1x4q n GLY 80 Ca -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1x4q n GLY 80 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x4q h ARG 81 N -0.62 0.91 0.10 1.61 3.08 -1.61 -3.08 114.38 114.78 1x4q h ARG 81 Ca -0.58 -0.07 -0.28 0.00 0.07 0.00 0.00 59.98 59.12 1x4q h ARG 81 Cb 1.68 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1x4q h ARG 81 CO -0.24 0.62 -1.48 1.03 -1.07 0.00 0.00 179.97 178.83 1x4q h SER 82 N 0.94 0.32 -4.66 7.04 0.87 -1.68 -3.51 113.55 112.87 1x4q h SER 82 Ca 0.25 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1x4q h SER 82 Cb -0.08 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1x4q h SER 82 CO -0.05 1.64 -0.95 -0.24 -0.53 0.00 0.00 176.83 176.70 1x4q n SER 83 N -3.93 -9.34 -3.87 6.23 2.88 -1.08 -4.63 113.62 99.88 1x4q n SER 83 Ca -0.27 1.80 -0.55 0.00 -1.33 0.00 0.00 58.87 58.53 1x4q n SER 83 Cb 0.89 -5.08 -0.11 0.00 -0.75 0.00 0.00 64.21 59.17 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 1.77 0.00 -3.74 -1.46 5.12 -1.26 -4.85 116.66 112.23 1x4q n ARG 84 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1x4q n ARG 84 Cb 0.00 -1.36 -0.09 0.00 -1.16 0.00 0.00 32.46 29.85 1x4q n ARG 84 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x4q s HIS 85 N 5.32 3.62 -0.07 -1.55 2.46 -1.26 -4.92 115.29 118.89 1x4q s HIS 85 Ca 1.08 -3.00 -0.00 0.00 0.47 0.00 0.00 55.06 53.61 1x4q s HIS 85 Cb -1.36 -3.09 -0.00 0.00 -0.13 0.00 0.00 32.58 28.00 1x4q s HIS 85 CO 0.60 -0.73 -0.00 0.66 -2.47 0.00 0.00 174.74 172.80 1x4q h SER 86 N 6.25 0.00 0.00 9.88 4.64 -2.01 -3.47 113.55 128.84 1x4q h SER 86 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1x4q h SER 86 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1x4q h SER 86 CO 0.77 0.34 -0.35 -1.20 -0.87 0.00 0.00 176.83 175.52 1x4q n SER 87 N -3.91 0.00 -1.44 4.97 7.64 -1.26 -5.13 113.62 114.50 1x4q n SER 87 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x4q n SER 87 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.03 -1.26 0.01 0.23 0.00 -1.26 -4.92 105.19 100.01 1x4q n GLY 88 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 0.01 -3.08 1.61 -0.04 -1.26 -4.32 135.00 127.58 1x4q n PRO 89 Ca 0.00 0.27 -0.45 0.00 -0.04 0.00 0.00 63.50 63.28 1x4q n PRO 89 Cb 0.00 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.93 1x4q n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4q s SER 90 N -3.06 6.85 0.05 3.54 1.04 -1.26 -4.79 113.70 116.06 1x4q s SER 90 Ca 0.07 -2.61 0.00 0.00 0.48 0.00 0.00 55.95 53.89 1x4q s SER 90 Cb 0.09 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1x4q s SER 90 CO 0.26 -0.78 0.00 -1.20 0.98 0.00 0.00 173.24 172.51 1x4q n SER 91 N 5.23 -8.85 0.00 7.02 7.64 -1.26 -5.24 113.62 118.16 1x4q n SER 91 Ca 0.24 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.75 1x4q n SER 91 Cb 0.46 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64