#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q s SER 2 N 0.00 6.91 -0.04 1.61 0.01 -1.26 -5.01 113.70 115.93 1x4q s SER 2 Ca 0.00 1.89 -0.02 0.00 1.31 0.00 0.00 55.95 59.13 1x4q s SER 2 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.72 1x4q s SER 2 CO 0.00 -0.73 0.08 -0.94 0.41 0.00 0.00 173.24 172.07 1x4q s SER 3 N 2.00 0.26 0.00 2.44 1.04 -1.26 -5.08 113.70 113.10 1x4q s SER 3 Ca 0.59 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1x4q s SER 3 Cb -0.26 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1x4q s SER 3 CO 0.21 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1x4q n GLY 4 N 4.50 2.15 3.78 7.32 0.00 -1.26 -5.14 105.19 116.54 1x4q n GLY 4 Ca -0.21 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1x4q n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4q s SER 5 N 0.00 4.45 -0.11 1.61 0.15 -1.26 -5.07 113.70 113.47 1x4q s SER 5 Ca 0.00 -1.17 0.16 0.00 0.70 0.00 0.00 55.95 55.64 1x4q s SER 5 Cb 0.00 -0.18 0.33 0.00 -1.71 0.00 0.00 66.02 64.45 1x4q s SER 5 CO 0.00 -0.70 1.17 -1.20 1.20 0.00 0.00 173.24 173.72 1x4q n SER 6 N -1.36 0.16 0.00 5.45 7.64 -1.26 -5.08 113.62 119.17 1x4q n SER 6 Ca -0.03 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1x4q n SER 6 Cb 0.65 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.22 0.94 1.08 0.23 0.00 -1.26 -5.14 105.19 100.83 1x4q n GLY 7 Ca -0.07 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.65 1x4q n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 8 N 0.00 -2.25 0.00 1.61 0.00 -1.26 -4.95 117.12 110.28 1x4q n MET 8 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 57.70 59.26 1x4q n MET 8 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 33.22 30.50 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 -2.41 2.39 -2.79 3.04 0.00 0.15 -4.75 120.51 116.14 1x4q n ALA 9 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1x4q n ALA 9 Cb 0.50 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 20.06 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 -4.34 3.87 0.00 0.00 1.43 -1.25 -5.05 118.68 113.34 1x4q s LEU 10 Ca 0.00 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1x4q s LEU 10 Cb 0.00 -2.54 0.11 0.00 0.03 0.00 0.00 46.19 43.79 1x4q s LEU 10 CO 0.00 0.16 0.79 -0.24 0.23 0.00 0.00 176.35 177.30 1x4q n SER 11 N 0.36 1.47 0.16 2.29 2.88 -1.26 -4.82 113.62 114.71 1x4q n SER 11 Ca -0.08 -2.15 0.06 0.00 -1.33 0.00 0.00 58.87 55.37 1x4q n SER 11 Cb 0.52 -0.48 0.52 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.18 0.21 -1.46 1.63 -2.00 -0.52 116.57 114.62 1x4q h LYS 12 Ca -0.26 -0.02 -0.33 0.00 -0.85 0.00 0.00 60.65 59.19 1x4q h LYS 12 Cb 1.07 -0.04 0.03 0.00 -0.60 0.00 0.00 32.23 32.69 1x4q h LYS 12 CO 0.32 0.18 -1.51 0.07 -3.45 0.00 0.00 179.45 175.07 1x4q h ARG 13 N 0.19 0.45 0.13 1.90 0.11 -1.98 -2.51 114.38 112.67 1x4q h ARG 13 Ca 0.05 -0.78 -0.01 0.00 0.10 0.00 0.00 59.98 59.34 1x4q h ARG 13 Cb 0.09 0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1x4q h ARG 13 CO -0.00 1.37 -0.06 0.93 0.10 0.00 0.00 179.97 182.31 1x4q h GLU 14 N 0.05 -0.17 -0.18 0.08 5.08 -1.84 -2.88 114.58 114.72 1x4q h GLU 14 Ca -0.28 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1x4q h GLU 14 Cb 2.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1x4q h GLU 14 CO 0.22 -0.02 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.82 1x4q h LEU 15 N -0.29 0.38 -0.61 1.33 3.38 -1.26 -3.05 115.31 115.19 1x4q h LEU 15 Ca -0.02 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1x4q h LEU 15 Cb 0.23 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1x4q h LEU 15 CO 0.03 0.68 0.15 0.44 0.09 0.00 0.00 178.44 179.83 1x4q h ASP 16 N 0.32 0.04 0.26 -0.43 5.19 -1.25 0.33 116.42 120.89 1x4q h ASP 16 Ca 0.04 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1x4q h ASP 16 Cb 0.72 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 1x4q h ASP 16 CO 0.05 0.03 -0.07 -0.33 -3.12 0.00 0.00 179.24 175.80 1x4q h GLU 17 N 0.29 0.00 0.04 3.56 5.08 -1.40 -2.00 114.58 120.15 1x4q h GLU 17 Ca 0.32 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.43 1x4q h GLU 17 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1x4q h GLU 17 CO -0.40 0.07 -1.25 -0.07 -1.00 0.00 0.00 179.01 176.37 1x4q h LEU 18 N 0.00 0.13 -0.83 1.33 3.38 -0.50 -3.32 115.31 115.51 1x4q h LEU 18 Ca -0.00 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 18 Cb 0.22 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 1x4q h LEU 18 CO 0.01 1.13 -0.58 0.11 0.09 0.00 0.00 178.44 179.20 1x4q h LYS 19 N 0.02 -0.11 0.00 1.13 1.57 -0.21 1.04 116.57 120.02 1x4q h LYS 19 Ca -0.12 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1x4q h LYS 19 Cb 1.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1x4q h LYS 19 CO 0.14 -0.07 0.00 -0.35 -0.57 0.00 0.00 179.45 178.60 1x4q n PRO 20 N -5.28 0.12 0.03 3.15 -0.04 -1.25 -0.97 135.00 130.76 1x4q n PRO 20 Ca 0.00 0.36 0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1x4q n PRO 20 Cb 0.28 -1.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.96 0.87 -0.05 0.54 -0.00 0.28 -3.99 117.44 113.13 1x4q n TRP 21 Ca 0.03 0.29 -0.20 0.00 -0.00 0.00 0.00 57.50 57.61 1x4q n TRP 21 Cb 0.20 -1.04 -0.13 0.00 -0.00 0.00 0.00 31.31 30.34 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 -2.83 1.67 -0.11 5.87 5.41 0.29 -3.26 119.36 126.39 1x4q n ILE 22 Ca -0.10 -0.62 0.17 0.00 1.00 0.00 0.00 62.75 63.19 1x4q n ILE 22 Cb 0.83 -1.62 0.56 0.00 -0.71 0.00 0.00 39.64 38.70 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 0.29 0.12 0.38 5.08 -1.25 -0.29 114.58 118.95 1x4q h GLU 23 Ca -0.48 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 57.61 1x4q h GLU 23 Cb 1.98 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1x4q h GLU 23 CO 0.02 0.19 -1.23 1.57 -1.00 0.00 0.00 179.01 178.56 1x4q h LYS 24 N 0.30 0.26 0.38 2.33 2.10 -1.73 -3.33 116.57 116.86 1x4q h LYS 24 Ca 0.33 -0.44 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1x4q h LYS 24 Cb 0.88 0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.34 1x4q h LYS 24 CO -0.08 1.21 -0.41 1.15 -2.00 0.00 0.00 179.45 179.32 1x4q h THR 25 N -0.34 0.18 -1.28 0.07 2.02 -1.36 -1.46 112.91 110.74 1x4q h THR 25 Ca -0.26 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.29 1x4q h THR 25 Cb 1.72 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.23 1x4q h THR 25 CO 0.08 0.00 0.88 0.58 0.37 0.00 0.00 175.52 177.44 1x4q h VAL 26 N -0.81 0.33 -0.19 3.16 2.07 -1.26 0.84 116.25 120.39 1x4q h VAL 26 Ca -0.03 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1x4q h VAL 26 Cb 0.73 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1x4q h VAL 26 CO -0.08 0.02 -0.59 0.50 0.02 0.00 0.00 177.57 177.44 1x4q h LYS 27 N 0.11 0.62 -0.09 1.57 3.64 -1.40 -1.66 116.57 119.36 1x4q h LYS 27 Ca 0.67 -0.41 -0.18 0.00 -1.27 0.00 0.00 60.65 59.45 1x4q h LYS 27 Cb 2.34 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 34.22 1x4q h LYS 27 CO -0.15 1.03 -0.66 0.00 -2.27 0.00 0.00 179.45 177.40 1x4q h ARG 28 N 0.46 0.61 0.14 1.90 2.47 0.11 1.81 114.38 121.88 1x4q h ARG 28 Ca -0.00 -0.53 -0.01 0.00 -1.26 0.00 0.00 59.98 58.18 1x4q h ARG 28 Cb 1.16 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1x4q h ARG 28 CO 0.11 1.15 -0.07 0.28 0.56 0.00 0.00 179.97 182.01 1x4q h VAL 29 N 0.24 0.97 0.06 2.04 2.07 -0.95 -3.26 116.25 117.41 1x4q h VAL 29 Ca -0.06 -0.43 -0.28 0.00 0.82 0.00 0.00 66.70 66.75 1x4q h VAL 29 Cb 1.31 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1x4q h VAL 29 CO 0.13 0.10 -1.46 -0.07 0.02 0.00 0.00 177.57 176.29 1x4q h LEU 30 N -0.39 0.19 0.00 2.57 3.38 -1.40 -3.48 115.31 116.17 1x4q h LEU 30 Ca -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1x4q h LEU 30 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x4q h LEU 30 CO 0.03 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1x4q n GLY 31 N 1.57 0.68 0.00 0.83 0.00 0.61 -4.80 105.19 104.08 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 -0.30 1.61 1.16 -1.06 -4.90 117.46 111.97 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 -1.25 -1.69 -4.33 5.98 2.88 -1.25 -4.82 113.62 109.14 1x4q n SER 33 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1x4q n SER 33 Cb 0.17 -0.36 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.33 2.82 0.14 -1.46 2.56 -1.26 -4.93 118.70 113.23 1x4q s GLU 34 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 54.97 54.06 1x4q s GLU 34 Cb 0.00 -2.35 -0.05 0.00 2.00 0.00 0.00 34.13 33.74 1x4q s GLU 34 CO 0.00 0.37 1.47 -1.00 -0.56 0.00 0.00 175.26 175.54 1x4q h PRO 35 N 6.15 0.93 0.00 4.30 0.13 -1.99 -2.56 132.00 138.96 1x4q h PRO 35 Ca -0.32 -0.50 -0.01 0.00 -0.87 0.00 0.00 66.00 64.31 1x4q h PRO 35 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x4q h PRO 35 CO 0.50 1.15 -0.04 0.00 -0.23 0.00 0.00 178.00 179.38 1x4q h THR 36 N 0.75 0.16 0.08 1.56 1.03 -1.99 -2.95 112.91 111.55 1x4q h THR 36 Ca 0.06 -0.40 -0.19 0.00 -0.01 0.00 0.00 66.41 65.88 1x4q h THR 36 Cb 0.98 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.40 1x4q h THR 36 CO 0.10 0.04 -0.93 0.58 -0.01 0.00 0.00 175.52 175.29 1x4q h VAL 37 N 0.00 1.31 -1.04 0.00 2.07 -1.87 -3.18 116.25 113.53 1x4q h VAL 37 Ca -0.00 -2.40 0.27 0.00 0.82 0.00 0.00 66.70 65.39 1x4q h VAL 37 Cb 0.33 2.92 -0.10 0.00 -1.52 0.00 0.00 31.29 32.92 1x4q h VAL 37 CO 0.01 0.63 0.66 0.58 0.02 0.00 0.00 177.57 179.47 1x4q h VAL 38 N -0.57 0.51 0.18 2.57 2.07 -1.28 -1.54 116.25 118.19 1x4q h VAL 38 Ca -0.20 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1x4q h VAL 38 Cb 1.51 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1x4q h VAL 38 CO 0.03 0.08 -0.09 0.74 0.02 0.00 0.00 177.57 178.35 1x4q h THR 39 N 0.42 0.73 -1.14 2.57 2.02 -1.67 -2.47 112.91 113.37 1x4q h THR 39 Ca 0.62 -1.08 0.33 0.00 0.77 0.00 0.00 66.41 67.04 1x4q h THR 39 Cb 1.50 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 69.10 1x4q h THR 39 CO -0.34 0.19 0.90 0.00 0.37 0.00 0.00 175.52 176.64 1x4q h ALA 40 N -0.42 3.04 0.00 6.16 0.00 -1.29 0.47 119.26 127.22 1x4q h ALA 40 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1x4q h ALA 40 Cb 0.50 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x4q h ALA 40 CO 0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 179.25 177.76 1x4q h ALA 41 N 1.27 0.01 -0.93 0.00 0.00 -1.32 -2.69 119.26 115.61 1x4q h ALA 41 Ca 0.54 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1x4q h ALA 41 Cb 2.34 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 20.08 1x4q h ALA 41 CO -0.01 0.02 0.59 -0.07 0.00 0.00 0.00 179.25 179.79 1x4q h LEU 42 N -1.00 0.73 -0.16 0.00 3.38 -0.49 -1.47 115.31 116.30 1x4q h LEU 42 Ca -0.01 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1x4q h LEU 42 Cb 0.85 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x4q h LEU 42 CO -0.01 0.37 -0.45 -1.13 0.09 0.00 0.00 178.44 177.31 1x4q h ASN 43 N 0.77 0.68 0.00 -0.43 -0.73 -1.20 -2.58 115.58 112.08 1x4q h ASN 43 Ca 0.47 -0.59 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1x4q h ASN 43 Cb 0.68 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1x4q h ASN 43 CO -0.23 1.14 0.00 0.00 -0.37 0.00 0.00 177.43 177.97 1x4q h VAL 45 N 0.00 0.74 -0.33 0.00 -1.51 -1.62 0.79 116.25 114.32 1x4q h VAL 45 Ca 0.00 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.16 1x4q h VAL 45 Cb 0.00 -0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.04 1x4q h VAL 45 CO 0.00 0.14 0.02 1.23 -1.23 0.00 0.00 177.57 177.74 1x4q h GLY 46 N 0.77 0.54 -2.91 5.19 0.00 -1.01 -1.94 103.07 103.72 1x4q h GLY 46 Ca 0.54 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1x4q h GLY 46 CO -0.36 0.29 0.10 1.17 0.00 0.00 0.00 176.54 177.74 1x4q n LYS 47 N -4.30 3.29 -1.08 4.80 0.00 0.22 0.30 118.16 121.38 1x4q n LYS 47 Ca 0.02 -2.16 -0.08 0.00 0.00 0.00 0.00 58.31 56.09 1x4q n LYS 47 Cb 0.22 -1.98 -0.03 0.00 0.00 0.00 0.00 35.03 33.24 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 0.19 0.74 3.09 3.14 0.00 -0.73 -4.81 105.19 106.81 1x4q n GLY 48 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.07 -0.27 -4.39 1.61 2.81 -0.54 -4.98 117.12 110.30 1x4q n MET 49 Ca -0.08 -0.07 -0.31 0.00 -1.81 0.00 0.00 57.70 55.43 1x4q n MET 49 Cb 0.33 -1.21 -0.10 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.25 4.57 0.42 7.83 1.01 -1.26 -4.86 116.67 123.14 1x4q s ASP 50 Ca 0.43 -0.22 0.30 0.00 0.71 0.00 0.00 52.55 53.77 1x4q s ASP 50 Cb -0.06 -1.01 1.42 0.00 1.01 0.00 0.00 42.92 44.27 1x4q s ASP 50 CO 0.72 0.25 1.49 0.29 0.21 0.00 0.00 175.17 178.13 1x4q n LYS 51 N 1.27 -0.04 0.21 8.23 5.02 -1.26 -0.59 118.16 131.00 1x4q n LYS 51 Ca -0.14 1.21 -0.08 0.00 -2.02 0.00 0.00 58.31 57.27 1x4q n LYS 51 Cb 0.52 -2.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 1x4q n LYS 51 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1x4q h LYS 52 N 0.00 -0.53 0.41 1.97 3.64 -2.01 -2.80 116.57 117.25 1x4q h LYS 52 Ca 0.84 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 60.25 1x4q h LYS 52 Cb 2.67 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 34.58 1x4q h LYS 52 CO -0.47 -0.35 -0.51 0.87 -2.27 0.00 0.00 179.45 176.72 1x4q h LYS 53 N -0.70 -0.91 -0.82 1.90 1.57 -1.25 -2.82 116.57 113.55 1x4q h LYS 53 Ca -0.06 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1x4q h LYS 53 Cb 0.42 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 1x4q h LYS 53 CO 0.09 -0.60 -0.39 0.00 -0.57 0.00 0.00 179.45 177.97 1x4q n ALA 54 N -2.84 -0.30 -0.29 3.86 0.00 0.11 0.33 120.51 121.39 1x4q n ALA 54 Ca -0.11 0.76 -0.02 0.00 0.00 0.00 0.00 53.44 54.07 1x4q n ALA 54 Cb 0.45 -0.25 0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 0.80 0.16 -0.43 0.00 0.00 -1.23 0.92 119.26 119.48 1x4q h ALA 55 Ca 0.21 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.42 1x4q h ALA 55 Cb 0.42 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1x4q h ALA 55 CO -0.79 -0.60 0.29 0.22 0.00 0.00 0.00 179.25 178.37 1x4q h ASP 56 N -0.07 0.30 0.17 0.00 3.58 -0.07 0.53 116.42 120.87 1x4q h ASP 56 Ca 0.31 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.60 1x4q h ASP 56 Cb 0.58 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1x4q h ASP 56 CO -0.84 0.20 -0.60 -0.74 -2.88 0.00 0.00 179.24 174.38 1x4q h HIS 57 N 0.35 0.55 -0.60 0.28 2.76 0.15 -3.00 115.15 115.63 1x4q h HIS 57 Ca 0.19 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1x4q h HIS 57 Cb 0.29 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1x4q h HIS 57 CO -0.00 0.92 0.00 1.28 -1.30 0.00 0.00 177.93 178.83 1x4q n LEU 58 N -3.91 3.64 0.30 0.26 4.77 0.16 -4.47 117.00 117.75 1x4q n LEU 58 Ca -0.03 -1.75 -0.13 0.00 -0.03 0.00 0.00 56.01 54.07 1x4q n LEU 58 Cb 0.63 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1x4q n LEU 58 CO 0.46 0.87 0.36 0.11 -1.33 0.00 0.00 177.39 177.87 1x4q h LYS 59 N 4.20 -0.79 0.00 3.23 1.57 0.14 0.71 116.57 125.64 1x4q h LYS 59 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1x4q h LYS 59 Cb 0.95 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1x4q h LYS 59 CO 0.00 -0.50 0.00 -0.35 -0.57 0.00 0.00 179.45 178.03 1x4q n PRO 60 N -5.32 0.24 -0.04 3.15 -0.04 -1.26 0.20 135.00 131.92 1x4q n PRO 60 Ca -0.11 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1x4q n PRO 60 Cb 0.33 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.00 0.54 3.72 -1.17 -4.85 117.46 114.45 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 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 -2.29 0.78 0.00 4.37 4.77 0.25 -4.93 117.00 119.95 1x4q n LEU 62 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1x4q n LEU 62 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1x4q n LEU 62 CO 0.24 0.03 0.00 0.47 -1.33 0.00 0.00 177.39 176.80 1x4q n ASP 63 N -2.58 0.00 0.20 -1.43 8.00 0.52 -1.59 116.55 119.67 1x4q n ASP 63 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1x4q n ASP 63 Cb 0.33 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.42 -2.24 3.32 -1.92 -2.69 116.42 112.48 1x4q h ASP 64 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1x4q h ASP 64 Cb 0.00 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.27 1x4q h ASP 64 CO 0.00 0.00 -0.75 -1.20 -1.72 0.00 0.00 179.24 175.57 1x4q n SER 65 N -2.55 3.27 0.00 6.45 7.64 -0.62 -4.81 113.62 122.99 1x4q n SER 65 Ca 0.01 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1x4q n SER 65 Cb 0.20 -0.42 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 -0.76 0.00 -0.32 0.44 -1.04 -1.01 -2.82 114.28 108.76 1x4q n THR 66 Ca 0.30 0.25 0.24 0.00 -2.04 0.00 0.00 64.05 62.79 1x4q n THR 66 Cb 0.87 -1.02 0.53 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.41 -0.09 -4.42 4.07 -1.89 0.33 115.31 113.72 1x4q h LEU 67 Ca 0.00 0.08 -0.24 0.00 0.08 0.00 0.00 57.88 57.80 1x4q h LEU 67 Cb 0.00 0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.77 1x4q h LEU 67 CO 0.00 0.08 -0.87 -0.09 -1.08 0.00 0.00 178.44 176.48 1x4q h ARG 68 N 0.36 0.75 0.03 1.13 2.43 -1.88 -3.16 114.38 114.05 1x4q h ARG 68 Ca 0.59 -0.69 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1x4q h ARG 68 Cb 1.56 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1x4q h ARG 68 CO -0.28 1.28 -0.02 0.35 -1.51 0.00 0.00 179.97 179.80 1x4q h PHE 69 N 0.46 -0.04 -1.27 2.20 3.57 -0.47 -3.18 116.94 118.20 1x4q h PHE 69 Ca -0.08 -0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.84 1x4q h PHE 69 Cb 1.51 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 40.16 1x4q h PHE 69 CO 0.10 -0.02 0.84 1.55 -2.23 0.00 0.00 178.31 178.55 1x4q n VAL 70 N -2.23 -0.17 -0.12 1.41 3.14 0.83 0.21 118.33 121.42 1x4q n VAL 70 Ca -0.01 1.46 -0.09 0.00 -2.96 0.00 0.00 64.34 62.74 1x4q n VAL 70 Cb 0.02 -2.40 -0.01 0.00 -1.06 0.00 0.00 33.84 30.38 1x4q n VAL 70 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1x4q h ASP 71 N 0.00 0.47 0.61 6.55 1.82 -1.58 -1.71 116.42 122.57 1x4q h ASP 71 Ca 0.75 -0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 57.18 1x4q h ASP 71 Cb 2.56 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 42.44 1x4q h ASP 71 CO -0.31 0.48 -0.34 0.11 -1.61 0.00 0.00 179.24 177.57 1x4q h LYS 72 N 0.43 0.00 0.24 0.28 1.57 0.26 -2.91 116.57 116.43 1x4q h LYS 72 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1x4q h LYS 72 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1x4q h LYS 72 CO -0.01 0.34 -0.11 1.25 -0.57 0.00 0.00 179.45 180.35 1x4q h LEU 73 N 0.00 -0.27 -0.69 2.94 5.85 -0.90 -1.10 115.31 121.15 1x4q h LEU 73 Ca -0.00 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1x4q h LEU 73 Cb 0.74 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1x4q h LEU 73 CO 0.04 0.16 0.31 -0.26 -0.34 0.00 0.00 178.44 178.36 1x4q h PHE 74 N -0.76 0.56 0.00 1.25 -1.00 -1.32 0.07 116.94 115.75 1x4q h PHE 74 Ca -0.03 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1x4q h PHE 74 Cb 0.50 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1x4q h PHE 74 CO 0.05 0.18 -0.38 1.05 -1.61 0.00 0.00 178.31 177.60 1x4q h GLU 75 N 0.53 0.00 -0.41 1.51 4.11 -1.53 -3.09 114.58 115.70 1x4q h GLU 75 Ca 0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.84 1x4q h GLU 75 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1x4q h GLU 75 CO -0.29 0.38 0.09 0.00 0.07 0.00 0.00 179.01 179.25 1x4q h ALA 76 N 1.62 0.44 -1.19 1.06 0.00 0.38 -1.36 119.26 120.22 1x4q h ALA 76 Ca -0.00 0.08 0.44 0.00 0.00 0.00 0.00 54.91 55.43 1x4q h ALA 76 Cb 0.72 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1x4q h ALA 76 CO 0.05 -0.31 0.72 0.28 0.00 0.00 0.00 179.25 179.98 1x4q n VAL 77 N -5.09 -0.31 0.03 0.00 0.31 -1.15 0.24 118.33 112.36 1x4q n VAL 77 Ca 0.03 1.85 0.03 0.00 -0.01 0.00 0.00 64.34 66.24 1x4q n VAL 77 Cb 0.18 -3.02 -0.08 0.00 -0.91 0.00 0.00 33.84 30.02 1x4q n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x4q n GLU 78 N -4.89 0.63 -0.04 5.55 -0.58 -0.65 -3.30 120.64 117.36 1x4q n GLU 78 Ca 0.38 0.14 -0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1x4q n GLU 78 Cb 1.41 -1.76 -0.00 0.00 -0.57 0.00 0.00 31.44 30.52 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x4q h GLU 79 N 0.00 -0.01 -0.15 3.49 4.57 0.40 -1.00 114.58 121.89 1x4q h GLU 79 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1x4q h GLU 79 Cb 1.45 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 1x4q h GLU 79 CO 0.03 -0.01 0.09 0.78 -1.18 0.00 0.00 179.01 178.72 1x4q h GLY 80 N -0.89 0.21 0.71 1.92 0.00 0.33 -3.15 103.07 102.20 1x4q h GLY 80 Ca -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1x4q h GLY 80 CO 0.00 0.08 -0.26 3.21 0.00 0.00 0.00 176.54 179.57 1x4q h ARG 81 N 0.18 0.36 0.00 4.80 3.08 -1.65 -3.47 114.38 117.68 1x4q h ARG 81 Ca 0.05 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1x4q h ARG 81 Cb 0.01 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1x4q h ARG 81 CO -0.01 0.86 0.00 0.45 -1.07 0.00 0.00 179.97 180.20 1x4q n SER 82 N -4.46 0.00 0.02 7.04 2.88 -0.38 -3.69 113.62 115.03 1x4q n SER 82 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x4q n SER 82 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 3.29 -0.28 -4.85 -3.46 2.88 -1.26 -4.90 113.62 105.04 1x4q n SER 83 Ca 0.00 0.10 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 1x4q n SER 83 Cb 0.00 0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1x4q n SER 83 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x4q s ARG 84 N -2.00 3.96 -0.31 -1.46 3.52 -1.24 -5.06 118.95 116.35 1x4q s ARG 84 Ca 0.00 0.88 0.04 0.00 -0.13 0.00 0.00 55.73 56.52 1x4q s ARG 84 Cb 0.00 -2.20 0.20 0.00 -1.56 0.00 0.00 34.95 31.39 1x4q s ARG 84 CO 0.00 -0.18 0.65 -3.38 -0.81 0.00 0.00 175.30 171.58 1x4q s HIS 85 N -2.50 -1.69 -0.18 5.12 -3.43 -1.26 -4.87 115.29 106.48 1x4q s HIS 85 Ca 0.58 0.87 -0.07 0.00 -0.80 0.00 0.00 55.06 55.65 1x4q s HIS 85 Cb -0.10 0.29 0.03 0.00 -1.43 0.00 0.00 32.58 31.37 1x4q s HIS 85 CO 0.28 -1.01 0.13 0.45 -2.00 0.00 0.00 174.74 172.60 1x4q n SER 86 N 5.22 -2.74 -0.26 7.38 2.88 -1.26 -4.75 113.62 120.08 1x4q n SER 86 Ca 0.06 1.08 0.16 0.00 -1.33 0.00 0.00 58.87 58.85 1x4q n SER 86 Cb 0.55 -4.37 0.31 0.00 -0.75 0.00 0.00 64.21 59.95 1x4q n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 87 N 1.06 0.05 -3.60 -3.46 2.88 -1.26 -4.48 113.62 104.81 1x4q n SER 87 Ca -0.22 1.28 -0.16 0.00 -1.33 0.00 0.00 58.87 58.44 1x4q n SER 87 Cb 0.34 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 1x4q n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4q s GLY 88 N -4.17 -0.49 0.39 0.46 0.00 -1.26 -5.04 107.32 97.21 1x4q s GLY 88 Ca -0.09 1.38 0.18 0.00 0.00 0.00 0.00 44.72 46.19 1x4q s GLY 88 CO 0.59 1.08 1.80 -0.56 0.00 0.00 0.00 173.10 176.02 1x4q h PRO 89 N 3.93 0.00 -6.00 2.90 0.13 -1.94 -3.44 132.00 127.57 1x4q h PRO 89 Ca -0.28 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.13 1x4q h PRO 89 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1x4q h PRO 89 CO 0.28 0.35 1.34 0.43 -0.23 0.00 0.00 178.00 180.17 1x4q n SER 90 N -3.71 1.60 -2.57 1.44 7.64 -1.26 -4.72 113.62 112.05 1x4q n SER 90 Ca -0.01 0.57 -0.02 0.00 1.01 0.00 0.00 58.87 60.42 1x4q n SER 90 Cb 0.45 -1.11 0.12 0.00 -1.01 0.00 0.00 64.21 62.65 1x4q n SER 90 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4q n SER 91 N 8.57 -1.37 0.00 6.43 3.41 -1.26 -5.16 113.62 124.23 1x4q n SER 91 Ca 0.45 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1x4q n SER 91 Cb 0.11 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49