#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 -5.34 -3.13 1.61 2.88 -1.26 -4.79 113.62 103.59 1x4q n SER 2 Ca 0.00 1.01 -0.21 0.00 -1.33 0.00 0.00 58.87 58.34 1x4q n SER 2 Cb 0.00 -3.41 0.02 0.00 -0.75 0.00 0.00 64.21 60.07 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 1.03 -6.89 -2.48 -3.46 7.64 -1.26 -4.98 113.62 103.21 1x4q n SER 3 Ca -0.05 0.28 -0.04 0.00 1.01 0.00 0.00 58.87 60.08 1x4q n SER 3 Cb 0.07 -3.71 0.04 0.00 -1.01 0.00 0.00 64.21 59.60 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 -0.16 0.12 1.25 0.23 0.00 -1.26 -5.01 105.19 100.36 1x4q n GLY 4 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4q n SER 5 N -0.60 0.33 -4.59 1.61 3.41 -1.26 -4.80 113.62 107.73 1x4q n SER 5 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 1x4q n SER 5 Cb 0.71 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 1x4q n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4q s SER 6 N -4.57 6.58 0.00 4.04 0.15 -1.26 -4.58 113.70 114.06 1x4q s SER 6 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x4q s SER 6 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1x4q s SER 6 CO 0.00 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1x4q n GLY 7 N 4.53 -1.26 0.50 9.45 0.00 -1.24 -5.09 105.19 112.07 1x4q n GLY 7 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.01 0.30 -1.05 1.61 0.00 -1.26 -4.99 117.12 111.72 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 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.19 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 -4.05 -2.61 -2.80 -5.12 0.00 -1.25 -4.96 120.51 99.72 1x4q n ALA 9 Ca -0.08 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1x4q n ALA 9 Cb 0.30 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.50 3.80 0.00 0.00 1.43 -1.25 -5.03 118.68 117.13 1x4q s LEU 10 Ca 0.00 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1x4q s LEU 10 Cb 0.00 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 43.91 1x4q s LEU 10 CO 0.00 0.03 0.46 -0.24 0.23 0.00 0.00 176.35 176.84 1x4q n SER 11 N -0.62 0.22 0.19 2.29 2.88 -1.26 -4.84 113.62 112.48 1x4q n SER 11 Ca -0.08 -1.28 0.06 0.00 -1.33 0.00 0.00 58.87 56.24 1x4q n SER 11 Cb 0.56 -0.34 0.30 0.00 -0.75 0.00 0.00 64.21 63.99 1x4q n SER 11 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x4q h LYS 12 N 0.00 0.00 0.00 -1.46 3.64 -2.00 -2.59 116.57 114.16 1x4q h LYS 12 Ca -0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1x4q h LYS 12 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1x4q h LYS 12 CO 0.12 0.37 -1.13 2.89 -2.27 0.00 0.00 179.45 179.43 1x4q n ARG 13 N -3.46 0.61 0.00 1.90 1.85 -1.26 -3.30 116.66 113.01 1x4q n ARG 13 Ca 0.00 0.09 -0.17 0.00 -1.00 0.00 0.00 57.85 56.77 1x4q n ARG 13 Cb 0.53 -1.79 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 1x4q n ARG 13 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1x4q h GLU 14 N 0.00 0.25 -0.00 2.89 5.08 -1.89 -3.30 114.58 117.61 1x4q h GLU 14 Ca -0.01 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1x4q h GLU 14 Cb 1.03 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1x4q h GLU 14 CO 0.00 1.10 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.50 1x4q h LEU 15 N -0.44 0.00 -1.04 1.33 3.38 -1.63 -3.06 115.31 113.86 1x4q h LEU 15 Ca -0.08 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1x4q h LEU 15 Cb 1.33 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 1x4q h LEU 15 CO 0.10 0.54 0.63 0.44 0.09 0.00 0.00 178.44 180.25 1x4q h ASP 16 N 0.00 0.95 0.65 -0.43 3.32 -1.63 0.66 116.42 119.94 1x4q h ASP 16 Ca -0.01 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1x4q h ASP 16 Cb 0.96 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1x4q h ASP 16 CO 0.07 0.55 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.44 1x4q h GLU 17 N 1.04 0.00 0.01 3.56 5.08 -1.61 -3.08 114.58 119.58 1x4q h GLU 17 Ca 0.47 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.57 1x4q h GLU 17 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1x4q h GLU 17 CO -0.22 0.36 -0.99 -0.07 -1.00 0.00 0.00 179.01 177.09 1x4q h LEU 18 N 0.00 0.85 -0.93 1.33 -0.00 -0.98 -3.18 115.31 112.40 1x4q h LEU 18 Ca -0.00 -0.75 0.08 0.00 -0.00 0.00 0.00 57.88 57.21 1x4q h LEU 18 Cb 0.79 -0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 41.08 1x4q h LEU 18 CO 0.05 1.49 -0.55 0.29 -0.00 0.00 0.00 178.44 179.72 1x4q n LYS 19 N -3.91 -0.41 0.16 1.13 5.02 -0.30 0.14 118.16 119.98 1x4q n LYS 19 Ca -0.11 1.44 0.13 0.00 -2.02 0.00 0.00 58.31 57.75 1x4q n LYS 19 Cb 0.86 -2.12 0.53 0.00 -0.02 0.00 0.00 35.03 34.28 1x4q n LYS 19 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x4q h PRO 20 N 0.00 0.00 0.00 1.97 0.13 -1.68 -0.56 132.00 131.86 1x4q h PRO 20 Ca 0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1x4q h PRO 20 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1x4q h PRO 20 CO -0.87 0.00 -1.12 2.35 -0.23 0.00 0.00 178.00 178.13 1x4q h TRP 21 N 0.00 0.00 0.07 1.56 7.01 0.12 -3.32 115.95 121.39 1x4q h TRP 21 Ca 0.00 0.00 -0.38 0.00 2.11 0.00 0.00 58.89 60.62 1x4q h TRP 21 Cb 0.38 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.40 1x4q h TRP 21 CO 0.00 0.34 -2.21 -0.89 -2.79 0.00 0.00 178.44 172.89 1x4q n ILE 22 N -2.85 1.65 -0.01 2.65 5.41 0.31 -3.40 119.36 123.13 1x4q n ILE 22 Ca -0.05 -0.62 0.11 0.00 1.00 0.00 0.00 62.75 63.19 1x4q n ILE 22 Cb 0.71 -1.58 0.53 0.00 -0.71 0.00 0.00 39.64 38.60 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 0.04 0.31 0.13 0.38 5.08 -1.28 0.23 114.58 119.46 1x4q h GLU 23 Ca -0.49 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.55 1x4q h GLU 23 Cb 1.98 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1x4q h GLU 23 CO 0.01 0.20 -1.45 1.57 -1.00 0.00 0.00 179.01 178.35 1x4q h LYS 24 N 0.32 0.27 0.21 2.33 2.10 -1.74 -3.28 116.57 116.77 1x4q h LYS 24 Ca 0.21 -0.46 -0.01 0.00 -2.00 0.00 0.00 60.65 58.39 1x4q h LYS 24 Cb 0.42 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1x4q h LYS 24 CO -0.05 1.16 -0.10 1.15 -2.00 0.00 0.00 179.45 179.61 1x4q h THR 25 N 0.07 0.85 -1.04 0.07 2.02 -1.32 -3.13 112.91 110.43 1x4q h THR 25 Ca -0.21 -0.84 0.27 0.00 0.77 0.00 0.00 66.41 66.39 1x4q h THR 25 Cb 2.01 1.31 -0.10 0.00 -1.74 0.00 0.00 68.15 69.63 1x4q h THR 25 CO 0.18 0.17 0.66 0.58 0.37 0.00 0.00 175.52 177.49 1x4q h VAL 26 N -0.74 0.51 -0.05 3.16 2.07 -0.75 0.72 116.25 121.18 1x4q h VAL 26 Ca -0.03 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1x4q h VAL 26 Cb 0.50 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1x4q h VAL 26 CO 0.05 0.07 -0.20 0.50 0.02 0.00 0.00 177.57 178.01 1x4q h LYS 27 N 0.41 0.08 0.00 1.57 3.64 -1.61 -1.16 116.57 119.50 1x4q h LYS 27 Ca 0.61 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.96 1x4q h LYS 27 Cb 1.50 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1x4q h LYS 27 CO -0.32 0.28 -0.04 0.00 -2.27 0.00 0.00 179.45 177.10 1x4q h ARG 28 N 0.07 0.00 -0.43 1.90 3.08 0.43 0.98 114.38 120.42 1x4q h ARG 28 Ca 0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1x4q h ARG 28 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1x4q h ARG 28 CO 0.03 0.88 0.13 0.28 -1.07 0.00 0.00 179.97 180.22 1x4q h VAL 29 N -1.00 0.84 0.01 2.04 2.07 -1.11 -2.93 116.25 116.17 1x4q h VAL 29 Ca -0.01 -0.10 -0.30 0.00 0.82 0.00 0.00 66.70 67.11 1x4q h VAL 29 Cb 0.90 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1x4q h VAL 29 CO -0.01 0.05 -1.72 0.18 0.02 0.00 0.00 177.57 176.09 1x4q n LEU 30 N -5.04 1.04 0.00 2.57 4.77 -0.44 -4.98 117.00 114.92 1x4q n LEU 30 Ca 0.03 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1x4q n LEU 30 Cb 0.17 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1x4q n LEU 30 CO 0.25 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1x4q n GLY 31 N 1.59 0.87 0.00 -0.72 0.00 0.34 -4.78 105.19 102.49 1x4q n GLY 31 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.16 1.61 1.16 -0.97 -4.87 117.46 112.23 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 -1.35 -1.86 -4.28 5.98 2.88 -1.25 -4.78 113.62 108.96 1x4q n SER 33 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1x4q n SER 33 Cb 0.21 0.27 -0.16 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.69 2.40 0.11 -1.46 2.56 -1.26 -4.91 118.70 112.44 1x4q s GLU 34 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 54.97 53.92 1x4q s GLU 34 Cb 0.00 -2.12 -0.08 0.00 2.00 0.00 0.00 34.13 33.93 1x4q s GLU 34 CO 0.00 0.44 1.43 -1.00 -0.56 0.00 0.00 175.26 175.57 1x4q h PRO 35 N 5.86 0.74 0.00 4.30 0.13 -2.00 -2.62 132.00 138.41 1x4q h PRO 35 Ca -0.36 -0.39 -0.04 0.00 -0.87 0.00 0.00 66.00 64.35 1x4q h PRO 35 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x4q h PRO 35 CO 0.47 1.01 -0.18 0.00 -0.23 0.00 0.00 178.00 179.07 1x4q h THR 36 N 0.49 1.02 -0.02 1.56 1.03 -1.99 -2.82 112.91 112.18 1x4q h THR 36 Ca 0.05 -0.63 -0.15 0.00 -0.01 0.00 0.00 66.41 65.67 1x4q h THR 36 Cb 0.87 1.35 0.01 0.00 -1.07 0.00 0.00 68.15 69.31 1x4q h THR 36 CO 0.07 0.18 -0.55 0.58 -0.01 0.00 0.00 175.52 175.79 1x4q h VAL 37 N 0.00 1.42 -0.83 0.00 2.07 -1.88 -2.85 116.25 114.19 1x4q h VAL 37 Ca -0.00 -2.01 0.17 0.00 0.82 0.00 0.00 66.70 65.68 1x4q h VAL 37 Cb 0.34 2.52 -0.11 0.00 -1.52 0.00 0.00 31.29 32.52 1x4q h VAL 37 CO 0.02 0.59 0.35 0.58 0.02 0.00 0.00 177.57 179.13 1x4q h VAL 38 N -0.09 0.59 0.25 2.57 2.07 -1.21 -1.52 116.25 118.92 1x4q h VAL 38 Ca -0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1x4q h VAL 38 Cb 1.25 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1x4q h VAL 38 CO 0.11 0.08 -0.12 0.74 0.02 0.00 0.00 177.57 178.40 1x4q h THR 39 N 0.45 0.75 -0.21 2.57 2.02 -1.60 -1.85 112.91 115.05 1x4q h THR 39 Ca 0.48 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1x4q h THR 39 Cb 0.80 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1x4q h THR 39 CO -0.45 0.15 0.60 0.00 0.37 0.00 0.00 175.52 176.19 1x4q h ALA 40 N -0.24 1.83 0.04 6.16 0.00 -1.17 0.89 119.26 126.77 1x4q h ALA 40 Ca -0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1x4q h ALA 40 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1x4q h ALA 40 CO 0.06 -0.70 -1.37 0.00 0.00 0.00 0.00 179.25 177.23 1x4q h ALA 41 N 1.00 0.27 -0.09 0.00 0.00 -1.13 -3.22 119.26 116.09 1x4q h ALA 41 Ca 0.10 -1.20 0.01 0.00 0.00 0.00 0.00 54.91 53.82 1x4q h ALA 41 Cb 1.29 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x4q h ALA 41 CO -0.00 0.81 0.06 -0.07 0.00 0.00 0.00 179.25 180.05 1x4q h LEU 42 N -0.69 0.08 -0.07 0.00 3.38 -0.04 -2.29 115.31 115.68 1x4q h LEU 42 Ca -0.34 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 1x4q h LEU 42 Cb 1.50 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.24 1x4q h LEU 42 CO -0.10 0.05 -0.46 -1.13 0.09 0.00 0.00 178.44 176.89 1x4q h ASN 43 N 0.09 0.54 0.00 -0.43 -0.73 -1.25 -2.82 115.58 110.98 1x4q h ASN 43 Ca 0.04 -0.67 0.00 0.00 1.87 0.00 0.00 56.30 57.54 1x4q h ASN 43 Cb 0.04 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.47 1x4q h ASN 43 CO -0.01 1.12 0.00 0.00 -0.37 0.00 0.00 177.43 178.17 1x4q h VAL 45 N 0.00 0.55 -0.05 0.00 -1.51 -1.67 0.24 116.25 113.81 1x4q h VAL 45 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 1x4q h VAL 45 Cb 0.00 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1x4q h VAL 45 CO 0.00 0.00 -0.72 1.23 -1.23 0.00 0.00 177.57 176.85 1x4q h GLY 46 N 0.00 0.30 -3.19 5.19 0.00 -1.04 -3.07 103.07 101.26 1x4q h GLY 46 Ca 0.40 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1x4q h GLY 46 CO -0.00 0.38 0.12 1.17 0.00 0.00 0.00 176.54 178.21 1x4q n LYS 47 N -3.80 3.68 -1.00 4.80 0.00 0.13 -3.79 118.16 118.18 1x4q n LYS 47 Ca -0.03 -2.52 -0.07 0.00 0.00 0.00 0.00 58.31 55.69 1x4q n LYS 47 Cb 0.70 -2.09 -0.03 0.00 0.00 0.00 0.00 35.03 33.61 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 0.62 3.34 3.14 0.00 -0.90 -4.86 105.19 106.74 1x4q n GLY 48 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.65 0.09 -3.98 1.61 2.81 -0.82 -3.72 117.12 112.45 1x4q n MET 49 Ca -0.07 0.06 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1x4q n MET 49 Cb 0.36 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.42 6.05 0.37 7.83 1.01 -1.26 -4.79 116.67 124.46 1x4q s ASP 50 Ca 0.58 0.12 0.21 0.00 0.71 0.00 0.00 52.55 54.17 1x4q s ASP 50 Cb -0.31 -1.77 1.35 0.00 1.01 0.00 0.00 42.92 43.20 1x4q s ASP 50 CO 0.65 0.12 1.58 0.11 0.21 0.00 0.00 175.17 177.85 1x4q h LYS 51 N 2.73 0.01 -0.07 8.23 1.57 -1.96 0.81 116.57 127.90 1x4q h LYS 51 Ca -0.47 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1x4q h LYS 51 Cb 1.18 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1x4q h LYS 51 CO 0.70 0.01 -0.00 0.87 -0.57 0.00 0.00 179.45 180.45 1x4q h LYS 52 N 0.01 0.12 0.61 3.15 1.57 -2.01 -2.88 116.57 117.14 1x4q h LYS 52 Ca 0.85 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.56 1x4q h LYS 52 Cb 2.26 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.57 1x4q h LYS 52 CO -0.75 0.39 -0.29 0.87 -0.57 0.00 0.00 179.45 179.10 1x4q h LYS 53 N -0.17 -0.78 -0.81 3.15 1.57 -0.01 -3.28 116.57 116.23 1x4q h LYS 53 Ca 0.02 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1x4q h LYS 53 Cb 0.34 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.70 1x4q h LYS 53 CO 0.00 -0.52 -0.33 0.00 -0.57 0.00 0.00 179.45 178.03 1x4q n ALA 54 N -2.72 -0.13 -0.30 3.86 0.00 0.14 0.28 120.51 121.65 1x4q n ALA 54 Ca -0.10 0.80 -0.04 0.00 0.00 0.00 0.00 53.44 54.11 1x4q n ALA 54 Cb 0.32 -0.35 0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 1.08 0.01 -1.04 0.00 0.00 -1.57 0.82 119.26 118.57 1x4q h ALA 55 Ca 0.27 0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.67 1x4q h ALA 55 Cb 0.48 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1x4q h ALA 55 CO -0.81 -0.68 0.68 0.22 0.00 0.00 0.00 179.25 178.67 1x4q h ASP 56 N -0.08 0.38 1.16 0.00 1.82 -0.24 1.28 116.42 120.75 1x4q h ASP 56 Ca 0.28 0.07 -0.14 0.00 -0.39 0.00 0.00 57.03 56.86 1x4q h ASP 56 Cb 0.57 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 1x4q h ASP 56 CO -0.84 0.08 -0.65 -0.74 -1.61 0.00 0.00 179.24 175.48 1x4q h HIS 57 N 0.34 0.00 -0.49 0.28 2.76 0.73 -3.16 115.15 115.62 1x4q h HIS 57 Ca 0.58 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1x4q h HIS 57 Cb 1.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.54 1x4q h HIS 57 CO -0.00 0.65 0.00 1.28 -1.30 0.00 0.00 177.93 178.55 1x4q n LEU 58 N -3.36 3.54 0.24 0.26 4.77 0.24 -4.51 117.00 118.18 1x4q n LEU 58 Ca 0.01 -1.69 -0.12 0.00 -0.03 0.00 0.00 56.01 54.17 1x4q n LEU 58 Cb 0.75 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1x4q n LEU 58 CO 0.42 0.81 0.38 0.50 -1.33 0.00 0.00 177.39 178.17 1x4q h LYS 59 N 4.13 -0.64 0.00 3.23 1.63 0.13 0.72 116.57 125.76 1x4q h LYS 59 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1x4q h LYS 59 Cb 0.95 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1x4q h LYS 59 CO 0.00 -0.36 0.00 -0.35 -3.45 0.00 0.00 179.45 175.29 1x4q n PRO 60 N -5.24 0.24 -0.07 1.90 -0.04 -1.26 -0.03 135.00 130.51 1x4q n PRO 60 Ca -0.10 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1x4q n PRO 60 Cb 0.30 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.03 0.54 3.72 -1.18 -4.90 117.46 114.42 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 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 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 -2.65 0.36 0.00 4.37 4.77 0.24 -4.90 117.00 119.19 1x4q n LEU 62 Ca -0.22 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1x4q n LEU 62 Cb 0.84 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1x4q n LEU 62 CO 0.21 -0.41 0.00 0.47 -1.33 0.00 0.00 177.39 176.33 1x4q n ASP 63 N -3.16 0.00 0.13 -1.43 8.00 0.95 -2.46 116.55 118.59 1x4q n ASP 63 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1x4q n ASP 63 Cb 0.21 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.80 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1x4q n ASP 64 N 1.65 0.61 -1.44 -2.24 5.68 -1.26 -2.46 116.55 117.09 1x4q n ASP 64 Ca 0.00 0.67 -0.06 0.00 -0.50 0.00 0.00 54.79 54.90 1x4q n ASP 64 Cb 0.00 -0.79 0.10 0.00 -1.14 0.00 0.00 41.12 39.29 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1x4q n SER 65 N -2.20 2.79 0.00 -1.12 7.64 -1.03 -4.84 113.62 114.87 1x4q n SER 65 Ca 0.02 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1x4q n SER 65 Cb 0.20 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.74 0.00 -0.41 0.44 -1.04 -1.03 -2.78 114.28 108.72 1x4q n THR 66 Ca 0.26 0.30 0.33 0.00 -2.04 0.00 0.00 64.05 62.89 1x4q n THR 66 Cb 0.85 -1.11 0.62 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.28 0.01 -4.42 3.38 -1.89 0.63 115.31 113.30 1x4q h LEU 67 Ca 0.00 0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 67 Cb 0.00 0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1x4q h LEU 67 CO 0.00 -0.10 -0.80 -0.09 0.09 0.00 0.00 178.44 177.55 1x4q h ARG 68 N 0.17 0.52 0.14 1.13 2.43 -1.89 -3.08 114.38 113.79 1x4q h ARG 68 Ca 0.75 -0.57 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1x4q h ARG 68 Cb 2.28 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 1x4q h ARG 68 CO -0.36 1.20 -0.07 0.35 -1.51 0.00 0.00 179.97 179.59 1x4q h PHE 69 N 0.07 -0.17 -1.68 2.20 3.04 0.17 -3.23 116.94 117.35 1x4q h PHE 69 Ca -0.10 -0.00 0.50 0.00 3.98 0.00 0.00 57.97 62.34 1x4q h PHE 69 Cb 1.49 0.06 -0.09 0.00 2.56 0.00 0.00 35.95 39.97 1x4q h PHE 69 CO 0.13 -0.11 1.19 -0.24 -2.02 0.00 0.00 178.31 177.26 1x4q h VAL 70 N -0.34 0.10 -0.74 1.41 3.04 -0.38 1.02 116.25 120.37 1x4q h VAL 70 Ca -0.02 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1x4q h VAL 70 Cb 0.14 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.47 1x4q h VAL 70 CO 0.03 0.00 0.45 -0.78 -1.01 0.00 0.00 177.57 176.27 1x4q h ASP 71 N 0.02 0.88 0.42 3.17 3.58 -1.55 -1.78 116.42 121.16 1x4q h ASP 71 Ca 0.85 -0.06 -0.24 0.00 0.42 0.00 0.00 57.03 58.00 1x4q h ASP 71 Cb 3.23 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 44.06 1x4q h ASP 71 CO -0.11 0.68 -1.03 0.11 -2.88 0.00 0.00 179.24 176.00 1x4q h LYS 72 N 1.01 0.37 0.36 0.28 1.79 0.10 -3.18 116.57 117.30 1x4q h LYS 72 Ca 0.27 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1x4q h LYS 72 Cb -0.05 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1x4q h LYS 72 CO -0.05 1.14 -0.21 1.25 -1.08 0.00 0.00 179.45 180.50 1x4q h LEU 73 N 0.18 -0.53 -0.93 2.94 5.85 -1.04 0.29 115.31 122.08 1x4q h LEU 73 Ca -0.10 0.03 0.26 0.00 0.84 0.00 0.00 57.88 58.91 1x4q h LEU 73 Cb 1.69 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 42.73 1x4q h LEU 73 CO 0.18 -0.33 0.39 -0.26 -0.34 0.00 0.00 178.44 178.07 1x4q h PHE 74 N -0.54 0.63 0.00 1.25 -1.00 -1.48 1.17 116.94 116.97 1x4q h PHE 74 Ca -0.05 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1x4q h PHE 74 Cb 0.42 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1x4q h PHE 74 CO 0.04 -0.15 -0.26 0.93 -1.61 0.00 0.00 178.31 177.27 1x4q h GLU 75 N 0.31 0.00 -0.36 1.51 4.39 -1.49 -3.17 114.58 115.77 1x4q h GLU 75 Ca 0.61 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.36 1x4q h GLU 75 Cb 1.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 1x4q h GLU 75 CO -0.60 0.26 0.12 0.00 -1.16 0.00 0.00 179.01 177.63 1x4q h ALA 76 N 1.74 0.41 -1.00 3.43 0.00 0.52 -0.43 119.26 123.94 1x4q h ALA 76 Ca -0.00 0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.33 1x4q h ALA 76 Cb 0.78 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 1x4q h ALA 76 CO 0.03 -0.28 0.51 0.28 0.00 0.00 0.00 179.25 179.79 1x4q h VAL 77 N 0.26 0.11 0.00 0.00 2.07 -1.50 1.37 116.25 118.57 1x4q h VAL 77 Ca 0.17 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1x4q h VAL 77 Cb 0.15 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1x4q h VAL 77 CO -0.18 0.02 -1.10 -0.33 0.02 0.00 0.00 177.57 176.01 1x4q h GLU 78 N 0.12 0.00 0.26 1.57 4.39 -1.57 -3.04 114.58 116.32 1x4q h GLU 78 Ca 0.79 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.47 1x4q h GLU 78 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1x4q h GLU 78 CO -0.72 0.13 -0.13 1.49 -1.16 0.00 0.00 179.01 178.62 1x4q h GLU 79 N 0.00 -0.34 -0.52 2.33 4.81 0.32 0.10 114.58 121.29 1x4q h GLU 79 Ca -0.06 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1x4q h GLU 79 Cb 1.24 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1x4q h GLU 79 CO 0.02 -0.14 -0.13 0.78 -0.73 0.00 0.00 179.01 178.82 1x4q h GLY 80 N -1.06 1.09 0.00 1.92 0.00 -0.41 -3.36 103.07 101.24 1x4q h GLY 80 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1x4q h GLY 80 CO 0.06 0.82 -0.07 3.21 0.00 0.00 0.00 176.54 180.56 1x4q h ARG 81 N 0.87 0.00 -4.43 4.80 3.08 -1.67 -3.51 114.38 113.52 1x4q h ARG 81 Ca 0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1x4q h ARG 81 Cb 0.70 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 1x4q h ARG 81 CO 0.05 0.00 -1.15 0.45 -1.07 0.00 0.00 179.97 178.25 1x4q n SER 82 N -3.18 -2.01 -4.08 7.04 2.88 0.36 -5.03 113.62 109.60 1x4q n SER 82 Ca -0.01 1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 58.48 1x4q n SER 82 Cb 0.03 -4.26 -0.12 0.00 -0.75 0.00 0.00 64.21 59.11 1x4q n SER 82 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4q s SER 83 N -0.50 1.16 -0.11 -3.46 0.01 -1.26 -5.07 113.70 104.47 1x4q s SER 83 Ca -0.18 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 1x4q s SER 83 Cb 0.01 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.14 1x4q s SER 83 CO 0.49 -0.07 2.03 0.00 0.41 0.00 0.00 173.24 176.10 1x4q s ARG 84 N -1.24 3.67 0.39 12.44 1.70 -1.26 -4.94 118.95 129.71 1x4q s ARG 84 Ca -0.04 2.24 -0.26 0.00 -0.47 0.00 0.00 55.73 57.20 1x4q s ARG 84 Cb -0.08 -4.23 -0.09 0.00 -0.57 0.00 0.00 34.95 29.98 1x4q s ARG 84 CO 0.01 -1.49 1.24 -1.58 -1.08 0.00 0.00 175.30 172.40 1x4q s HIS 85 N 6.19 2.98 -0.06 5.89 5.65 -1.26 -4.91 115.29 129.77 1x4q s HIS 85 Ca 0.91 1.49 -0.31 0.00 0.25 0.00 0.00 55.06 57.40 1x4q s HIS 85 Cb -0.36 -3.54 -0.09 0.00 -1.18 0.00 0.00 32.58 27.41 1x4q s HIS 85 CO 0.37 -1.67 2.01 0.45 -0.65 0.00 0.00 174.74 175.25 1x4q n SER 86 N 0.24 3.72 -1.66 9.88 2.88 -1.26 -4.38 113.62 123.04 1x4q n SER 86 Ca 0.03 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1x4q n SER 86 Cb 0.45 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1x4q n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 87 N 8.22 -7.81 -2.15 -3.46 7.64 -1.26 -4.83 113.62 109.97 1x4q n SER 87 Ca 0.24 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1x4q n SER 87 Cb 0.38 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 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 1.03 -0.19 3.75 0.23 0.00 -1.26 -5.02 105.19 103.73 1x4q n GLY 88 Ca 0.00 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1x4q n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4q s PRO 89 N -0.56 4.42 0.00 1.61 0.04 -1.26 -5.01 135.00 134.24 1x4q s PRO 89 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x4q s PRO 89 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1x4q s PRO 89 CO 0.00 -0.15 0.00 0.45 0.04 0.00 0.00 177.00 177.34 1x4q n SER 90 N 1.93 0.00 -3.85 6.66 2.88 -1.26 -5.19 113.62 114.79 1x4q n SER 90 Ca 0.03 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 1x4q n SER 90 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1x4q n SER 90 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4q s SER 91 N 0.00 -0.18 0.00 -3.46 1.04 -1.26 -5.27 113.70 104.58 1x4q s SER 91 Ca 0.00 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1x4q s SER 91 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x4q s SER 91 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75