#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 -6.04 0.04 1.61 2.88 -1.26 -5.05 113.62 105.81 1x4q n SER 2 Ca 0.00 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1x4q n SER 2 Cb 0.00 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.77 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 -3.30 -0.64 0.00 -3.46 2.88 -1.26 -5.15 113.62 102.68 1x4q n SER 3 Ca -0.05 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1x4q n SER 3 Cb 0.47 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 4 N -0.65 1.37 3.17 0.46 0.00 -1.26 -5.16 105.19 103.11 1x4q n GLY 4 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4q s SER 5 N 0.00 0.04 0.22 1.61 1.04 -1.26 -5.13 113.70 110.22 1x4q s SER 5 Ca 0.00 -0.36 -0.31 0.00 0.48 0.00 0.00 55.95 55.76 1x4q s SER 5 Cb 0.00 0.28 -0.11 0.00 0.10 0.00 0.00 66.02 66.29 1x4q s SER 5 CO 0.00 -0.54 1.58 -0.44 0.98 0.00 0.00 173.24 174.82 1x4q s SER 6 N -2.03 6.51 0.54 7.02 0.01 -1.26 -4.75 113.70 119.75 1x4q s SER 6 Ca -0.06 2.75 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1x4q s SER 6 Cb -0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1x4q s SER 6 CO -0.03 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1x4q n GLY 7 N 3.16 -1.55 2.03 3.44 0.00 -1.26 -4.97 105.19 106.04 1x4q n GLY 7 Ca 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.38 0.00 -1.69 1.61 0.00 -1.26 -4.99 117.12 108.41 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.44 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 -2.85 -2.39 -2.51 -5.12 0.00 -1.25 -4.96 120.51 101.42 1x4q n ALA 9 Ca 0.00 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1x4q n ALA 9 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.35 4.22 0.72 0.00 1.43 -1.25 -5.02 118.68 118.42 1x4q s LEU 10 Ca 0.00 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 1x4q s LEU 10 Cb 0.00 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.73 1x4q s LEU 10 CO 0.00 -0.01 1.07 -0.44 0.23 0.00 0.00 176.35 177.20 1x4q s SER 11 N -2.34 5.17 0.37 2.29 0.01 -1.26 -4.75 113.70 113.20 1x4q s SER 11 Ca 0.44 1.63 0.14 0.00 1.31 0.00 0.00 55.95 59.48 1x4q s SER 11 Cb -0.12 -2.47 0.99 0.00 0.21 0.00 0.00 66.02 64.63 1x4q s SER 11 CO 0.22 -1.58 1.79 0.50 0.41 0.00 0.00 173.24 174.58 1x4q h LYS 12 N -0.81 0.49 0.00 12.44 3.11 -2.00 0.43 116.57 130.23 1x4q h LYS 12 Ca -0.44 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.22 1x4q h LYS 12 Cb 1.22 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 1x4q h LYS 12 CO 0.56 0.33 -0.74 0.07 -2.81 0.00 0.00 179.45 176.86 1x4q h ARG 13 N 0.51 0.00 0.17 1.90 0.11 -1.99 -2.69 114.38 112.39 1x4q h ARG 13 Ca 0.57 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.64 1x4q h ARG 13 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1x4q h ARG 13 CO -0.31 0.74 -0.08 0.93 0.10 0.00 0.00 179.97 181.35 1x4q h GLU 14 N 0.00 -0.23 0.00 0.08 5.08 -0.53 -3.07 114.58 115.91 1x4q h GLU 14 Ca -0.01 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1x4q h GLU 14 Cb 1.42 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1x4q h GLU 14 CO 0.10 0.11 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.86 1x4q h LEU 15 N -0.58 0.00 -1.35 1.33 3.38 -1.35 -2.66 115.31 114.08 1x4q h LEU 15 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1x4q h LEU 15 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1x4q h LEU 15 CO 0.04 0.29 0.48 0.44 0.09 0.00 0.00 178.44 179.77 1x4q h ASP 16 N 0.00 0.70 1.45 -0.43 5.19 -1.39 0.69 116.42 122.64 1x4q h ASP 16 Ca -0.00 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1x4q h ASP 16 Cb 0.54 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 1x4q h ASP 16 CO 0.04 0.47 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.16 1x4q h GLU 17 N 0.81 0.00 0.15 3.56 5.08 -1.39 -3.21 114.58 119.58 1x4q h GLU 17 Ca 0.31 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.35 1x4q h GLU 17 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1x4q h GLU 17 CO -0.10 0.14 -1.53 -0.07 -1.00 0.00 0.00 179.01 176.44 1x4q h LEU 18 N 0.00 0.50 -1.00 1.33 -0.00 -1.00 -3.31 115.31 111.83 1x4q h LEU 18 Ca -0.00 -0.65 0.10 0.00 -0.00 0.00 0.00 57.88 57.32 1x4q h LEU 18 Cb 0.90 -0.16 -0.13 0.00 -0.00 0.00 0.00 40.66 41.27 1x4q h LEU 18 CO 0.02 1.54 -0.56 0.50 -0.00 0.00 0.00 178.44 179.93 1x4q h LYS 19 N 0.09 -0.00 0.00 1.13 3.64 -0.95 1.35 116.57 121.82 1x4q h LYS 19 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1x4q h LYS 19 Cb 2.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1x4q h LYS 19 CO 0.19 -0.00 0.00 -0.35 -2.27 0.00 0.00 179.45 177.01 1x4q n PRO 20 N -5.28 0.16 0.02 1.90 -0.04 -1.26 -1.43 135.00 129.07 1x4q n PRO 20 Ca 0.03 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1x4q n PRO 20 Cb 0.28 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 1x4q n PRO 20 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1x4q h TRP 21 N 0.00 0.00 0.10 0.54 7.01 0.13 -3.33 115.95 120.39 1x4q h TRP 21 Ca 0.00 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.69 1x4q h TRP 21 Cb 0.34 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1x4q h TRP 21 CO 0.00 0.74 -1.64 0.82 -2.79 0.00 0.00 178.44 175.57 1x4q h ILE 22 N 0.00 0.83 -0.87 2.65 2.04 0.81 -3.17 117.51 119.79 1x4q h ILE 22 Ca -0.20 -2.34 0.18 0.00 1.00 0.00 0.00 64.86 63.50 1x4q h ILE 22 Cb 1.74 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 40.29 1x4q h ILE 22 CO 0.06 0.71 0.57 -0.33 0.00 0.00 0.00 178.15 179.17 1x4q h GLU 23 N -0.27 0.48 0.12 2.37 5.08 -1.43 0.22 114.58 121.14 1x4q h GLU 23 Ca -0.37 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 1x4q h GLU 23 Cb 1.80 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.97 1x4q h GLU 23 CO 0.02 0.31 -1.19 1.57 -1.00 0.00 0.00 179.01 178.73 1x4q h LYS 24 N 0.49 0.60 0.32 2.33 2.10 -1.71 -3.24 116.57 117.46 1x4q h LYS 24 Ca 0.45 -0.80 -0.02 0.00 -2.00 0.00 0.00 60.65 58.28 1x4q h LYS 24 Cb 0.99 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1x4q h LYS 24 CO -0.18 1.36 -0.16 1.15 -2.00 0.00 0.00 179.45 179.63 1x4q h THR 25 N 0.22 0.70 -1.11 0.07 2.02 -1.14 -2.77 112.91 110.90 1x4q h THR 25 Ca -0.18 -0.36 0.31 0.00 0.77 0.00 0.00 66.41 66.95 1x4q h THR 25 Cb 1.87 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 69.11 1x4q h THR 25 CO 0.23 0.07 0.76 0.58 0.37 0.00 0.00 175.52 177.54 1x4q h VAL 26 N -0.63 0.45 -0.09 3.16 2.07 -0.78 0.77 116.25 121.21 1x4q h VAL 26 Ca -0.04 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1x4q h VAL 26 Cb 0.45 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1x4q h VAL 26 CO 0.07 0.03 -0.51 0.50 0.02 0.00 0.00 177.57 177.69 1x4q h LYS 27 N 0.16 0.24 0.17 1.57 3.64 -1.52 -1.55 116.57 119.29 1x4q h LYS 27 Ca 0.57 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 59.58 1x4q h LYS 27 Cb 1.93 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.79 1x4q h LYS 27 CO -0.13 0.70 -1.03 -0.09 -2.27 0.00 0.00 179.45 176.62 1x4q h ARG 28 N 0.19 0.40 0.06 1.90 2.43 0.63 0.84 114.38 120.84 1x4q h ARG 28 Ca 0.01 -0.66 -0.00 0.00 -0.81 0.00 0.00 59.98 58.52 1x4q h ARG 28 Cb 0.96 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1x4q h ARG 28 CO 0.08 1.31 -0.03 0.28 -1.51 0.00 0.00 179.97 180.10 1x4q h VAL 29 N -0.17 1.05 0.00 0.20 2.07 -0.93 -3.23 116.25 115.24 1x4q h VAL 29 Ca -0.18 -0.36 -0.25 0.00 0.82 0.00 0.00 66.70 66.74 1x4q h VAL 29 Cb 1.81 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1x4q h VAL 29 CO 0.19 0.09 -1.48 -0.07 0.02 0.00 0.00 177.57 176.33 1x4q h LEU 30 N -0.24 0.00 0.00 2.57 3.38 -1.42 -3.48 115.31 116.12 1x4q h LEU 30 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x4q h LEU 30 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x4q h LEU 30 CO 0.01 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1x4q n GLY 31 N 1.48 3.25 0.02 0.83 0.00 0.29 -4.74 105.19 106.32 1x4q n GLY 31 Ca -0.12 0.00 -0.02 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 -1.05 1.61 -1.74 -1.17 -4.83 117.46 108.28 1x4q n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1x4q n PHE 32 Cb 0.00 -0.17 0.00 0.00 1.52 0.00 0.00 39.48 40.83 1x4q n PHE 32 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1x4q n SER 33 N -2.13 -1.93 -4.79 5.98 2.88 -1.24 -4.82 113.62 107.55 1x4q n SER 33 Ca -0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.12 1x4q n SER 33 Cb 0.61 -0.97 -0.07 0.00 -0.75 0.00 0.00 64.21 63.04 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 -1.79 3.89 0.04 -1.46 2.56 -1.26 -4.91 118.70 115.77 1x4q s GLU 34 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.97 54.64 1x4q s GLU 34 Cb 0.00 -3.32 -0.15 0.00 2.00 0.00 0.00 34.13 32.66 1x4q s GLU 34 CO 0.00 0.50 1.34 -1.00 -0.56 0.00 0.00 175.26 175.54 1x4q h PRO 35 N 5.91 0.35 -0.01 4.30 0.13 -2.00 -2.76 132.00 137.92 1x4q h PRO 35 Ca -0.47 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1x4q h PRO 35 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x4q h PRO 35 CO 0.68 0.73 0.01 0.00 -0.23 0.00 0.00 178.00 179.19 1x4q h THR 36 N -0.03 0.99 -0.05 1.56 1.03 -2.00 -2.54 112.91 111.87 1x4q h THR 36 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.37 1x4q h THR 36 Cb 0.67 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1x4q h THR 36 CO 0.04 0.00 -0.17 0.58 -0.01 0.00 0.00 175.52 175.95 1x4q h VAL 37 N 0.00 1.45 -0.82 0.00 2.07 -1.89 -2.77 116.25 114.28 1x4q h VAL 37 Ca 0.01 -1.58 0.20 0.00 0.82 0.00 0.00 66.70 66.14 1x4q h VAL 37 Cb 0.02 2.34 -0.14 0.00 -1.52 0.00 0.00 31.29 31.99 1x4q h VAL 37 CO -0.00 0.44 0.04 0.58 0.02 0.00 0.00 177.57 178.65 1x4q h VAL 38 N -0.32 0.28 0.61 2.57 2.07 -1.16 -0.89 116.25 119.42 1x4q h VAL 38 Ca -0.01 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1x4q h VAL 38 Cb 0.80 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1x4q h VAL 38 CO 0.04 0.02 -0.29 0.74 0.02 0.00 0.00 177.57 178.09 1x4q h THR 39 N 0.11 0.07 -1.64 2.57 2.02 -1.59 -2.17 112.91 112.27 1x4q h THR 39 Ca 0.46 -0.40 0.48 0.00 0.77 0.00 0.00 66.41 67.72 1x4q h THR 39 Cb 0.86 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1x4q h THR 39 CO -0.71 0.01 1.23 0.00 0.37 0.00 0.00 175.52 176.43 1x4q h ALA 40 N -1.14 3.56 0.00 6.16 0.00 -1.09 0.32 119.26 127.07 1x4q h ALA 40 Ca -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x4q h ALA 40 Cb 0.65 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1x4q h ALA 40 CO 0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 179.25 177.31 1x4q h ALA 41 N 1.08 -0.00 -0.95 0.00 0.00 -1.06 -3.05 119.26 115.28 1x4q h ALA 41 Ca 0.78 -0.44 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1x4q h ALA 41 Cb 3.24 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.95 1x4q h ALA 41 CO -0.01 -0.00 0.61 -0.07 0.00 0.00 0.00 179.25 179.78 1x4q h LEU 42 N -1.00 0.51 -0.22 0.00 3.38 0.26 -0.31 115.31 117.94 1x4q h LEU 42 Ca -0.00 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1x4q h LEU 42 Cb 0.88 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1x4q h LEU 42 CO 0.00 0.19 -0.22 -1.13 0.09 0.00 0.00 178.44 177.37 1x4q h ASN 43 N 0.50 0.57 0.05 -0.43 -0.73 -1.36 -1.43 115.58 112.76 1x4q h ASN 43 Ca 0.51 -0.48 0.01 0.00 1.87 0.00 0.00 56.30 58.21 1x4q h ASN 43 Cb 1.14 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1x4q h ASN 43 CO -0.24 0.93 -0.27 0.00 -0.37 0.00 0.00 177.43 177.48 1x4q h VAL 45 N -0.38 1.20 -0.15 0.00 -1.51 -1.57 -0.24 116.25 113.60 1x4q h VAL 45 Ca -0.00 -0.40 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 1x4q h VAL 45 Cb 0.38 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 1x4q h VAL 45 CO -0.15 0.21 -0.13 1.23 -1.23 0.00 0.00 177.57 177.50 1x4q h GLY 46 N 1.16 0.26 -3.15 5.19 0.00 -0.71 -2.05 103.07 103.77 1x4q h GLY 46 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1x4q h GLY 46 CO -0.08 0.15 0.17 1.17 0.00 0.00 0.00 176.54 177.95 1x4q n LYS 47 N -4.27 3.30 -1.04 4.80 0.00 0.20 -3.82 118.16 117.32 1x4q n LYS 47 Ca -0.01 -2.37 -0.07 0.00 0.00 0.00 0.00 58.31 55.86 1x4q n LYS 47 Cb 0.27 -2.02 -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 0.06 0.68 3.37 3.14 0.00 -0.77 -4.81 105.19 106.87 1x4q n GLY 48 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.91 0.13 -3.97 1.61 2.81 -0.18 -4.50 117.12 112.11 1x4q n MET 49 Ca -0.07 0.08 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 1x4q n MET 49 Cb 0.34 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 1x4q n MET 49 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x4q s ASP 50 N -1.45 6.07 0.38 7.83 1.01 -1.26 -4.79 116.67 124.47 1x4q s ASP 50 Ca 0.60 0.18 0.24 0.00 0.71 0.00 0.00 52.55 54.28 1x4q s ASP 50 Cb -0.32 -1.80 1.36 0.00 1.01 0.00 0.00 42.92 43.18 1x4q s ASP 50 CO 0.64 0.18 1.53 0.29 0.21 0.00 0.00 175.17 178.02 1x4q n LYS 51 N 0.40 -0.05 -0.09 8.23 5.02 -1.26 0.14 118.16 130.56 1x4q n LYS 51 Ca -0.07 1.30 -0.11 0.00 -2.02 0.00 0.00 58.31 57.41 1x4q n LYS 51 Cb 0.51 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 1x4q n LYS 51 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x4q h LYS 52 N 0.00 0.47 0.29 1.97 1.79 -2.01 -2.69 116.57 116.40 1x4q h LYS 52 Ca 0.84 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 59.13 1x4q h LYS 52 Cb 2.39 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.01 1x4q h LYS 52 CO -0.65 0.67 -0.14 0.87 -1.08 0.00 0.00 179.45 179.12 1x4q h LYS 53 N 0.23 -0.37 -0.94 3.15 1.57 0.90 -3.31 116.57 117.80 1x4q h LYS 53 Ca 0.07 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1x4q h LYS 53 Cb 0.47 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.73 1x4q h LYS 53 CO 0.02 -0.06 -0.47 0.00 -0.57 0.00 0.00 179.45 178.37 1x4q h ALA 54 N -0.67 -0.17 -0.97 3.86 0.00 -0.32 0.41 119.26 121.40 1x4q h ALA 54 Ca -0.04 0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.36 1x4q h ALA 54 Cb 0.48 1.14 -0.18 0.00 0.00 0.00 0.00 17.79 19.23 1x4q h ALA 54 CO 0.06 -0.78 0.14 0.00 0.00 0.00 0.00 179.25 178.68 1x4q h ALA 55 N 0.95 1.35 -0.46 0.00 0.00 -1.58 1.42 119.26 120.93 1x4q h ALA 55 Ca 0.25 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 1x4q h ALA 55 Cb 0.52 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1x4q h ALA 55 CO -0.93 -0.62 0.09 0.22 0.00 0.00 0.00 179.25 178.00 1x4q h ASP 56 N 0.03 0.66 0.24 0.00 3.58 -0.27 0.48 116.42 121.14 1x4q h ASP 56 Ca 0.63 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.84 1x4q h ASP 56 Cb 1.39 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1x4q h ASP 56 CO -0.86 0.67 -0.48 -0.74 -2.88 0.00 0.00 179.24 174.95 1x4q h HIS 57 N 0.68 0.35 -0.60 0.28 2.76 0.23 -2.87 115.15 115.97 1x4q h HIS 57 Ca 0.15 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1x4q h HIS 57 Cb 0.29 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1x4q h HIS 57 CO 0.01 0.72 0.00 1.28 -1.30 0.00 0.00 177.93 178.64 1x4q n LEU 58 N -3.97 3.73 0.41 0.26 4.77 -0.11 -4.53 117.00 117.55 1x4q n LEU 58 Ca -0.02 -1.84 -0.16 0.00 -0.03 0.00 0.00 56.01 53.96 1x4q n LEU 58 Cb 0.53 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1x4q n LEU 58 CO 0.43 0.89 0.42 0.11 -1.33 0.00 0.00 177.39 177.92 1x4q h LYS 59 N 4.16 -1.02 0.00 3.23 1.57 0.20 0.61 116.57 125.32 1x4q h LYS 59 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x4q h LYS 59 Cb 0.97 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1x4q h LYS 59 CO 0.00 -0.68 0.00 -0.35 -0.57 0.00 0.00 179.45 177.85 1x4q n PRO 60 N -5.48 0.24 -0.08 3.15 -0.04 -1.26 0.15 135.00 131.68 1x4q n PRO 60 Ca -0.13 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1x4q n PRO 60 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1x4q n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4q n PHE 61 N -1.25 0.00 0.00 0.54 3.72 -1.12 -4.84 117.46 114.50 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 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.71 0.30 0.00 4.37 4.77 0.21 -4.91 117.00 119.03 1x4q n LEU 62 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1x4q n LEU 62 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1x4q n LEU 62 CO 0.29 0.03 0.00 0.47 -1.33 0.00 0.00 177.39 176.84 1x4q n ASP 63 N -2.92 0.00 0.14 -1.43 8.00 0.40 -2.30 116.55 118.44 1x4q n ASP 63 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1x4q n ASP 63 Cb 0.47 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.50 -2.24 3.32 -1.93 -2.96 116.42 112.11 1x4q h ASP 64 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1x4q h ASP 64 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.22 1x4q h ASP 64 CO 0.00 0.00 -0.81 -1.20 -1.72 0.00 0.00 179.24 175.51 1x4q n SER 65 N -2.32 3.53 0.00 6.45 7.64 -0.97 -4.83 113.62 123.11 1x4q n SER 65 Ca 0.02 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1x4q n SER 65 Cb 0.25 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.71 0.00 -0.34 0.44 -1.04 -1.12 -2.83 114.28 108.67 1x4q n THR 66 Ca 0.31 0.25 0.20 0.00 -2.04 0.00 0.00 64.05 62.77 1x4q n THR 66 Cb 0.90 -0.99 0.44 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.58 -0.20 -4.42 3.38 -1.89 0.18 115.31 112.94 1x4q h LEU 67 Ca 0.00 0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1x4q h LEU 67 Cb 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x4q h LEU 67 CO 0.00 0.07 -0.32 -0.09 0.09 0.00 0.00 178.44 178.19 1x4q h ARG 68 N 0.49 0.56 0.00 1.13 2.43 -1.88 -2.85 114.38 114.26 1x4q h ARG 68 Ca 0.64 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1x4q h ARG 68 Cb 1.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1x4q h ARG 68 CO -0.43 0.95 0.00 0.34 -1.51 0.00 0.00 179.97 179.32 1x4q n PHE 69 N -4.32 0.00 -0.62 2.20 -0.00 0.33 -3.20 117.46 111.85 1x4q n PHE 69 Ca -0.06 0.00 0.49 0.00 -0.00 0.00 0.00 57.45 57.88 1x4q n PHE 69 Cb 0.49 -0.39 0.77 0.00 -0.00 0.00 0.00 39.48 40.35 1x4q n PHE 69 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 1x4q n VAL 70 N -1.66 -0.09 -0.18 -2.13 3.14 0.36 0.12 118.33 117.90 1x4q n VAL 70 Ca 0.00 1.60 -0.04 0.00 -2.96 0.00 0.00 64.34 62.94 1x4q n VAL 70 Cb 0.00 -2.64 0.06 0.00 -1.06 0.00 0.00 33.84 30.19 1x4q n VAL 70 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1x4q h ASP 71 N 0.00 0.40 1.14 6.55 5.19 -1.46 -1.33 116.42 126.92 1x4q h ASP 71 Ca 0.92 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 57.20 1x4q h ASP 71 Cb 3.43 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 42.87 1x4q h ASP 71 CO -0.17 0.28 -0.72 0.11 -3.12 0.00 0.00 179.24 175.61 1x4q h LYS 72 N 0.53 0.00 0.16 3.56 1.57 0.99 -3.18 116.57 120.21 1x4q h LYS 72 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1x4q h LYS 72 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1x4q h LYS 72 CO -0.15 0.72 -0.08 1.25 -0.57 0.00 0.00 179.45 180.62 1x4q h LEU 73 N 0.00 -0.18 -1.03 2.94 5.85 -0.66 0.19 115.31 122.43 1x4q h LEU 73 Ca -0.01 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.97 1x4q h LEU 73 Cb 1.49 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.44 1x4q h LEU 73 CO 0.09 -0.11 0.60 -0.26 -0.34 0.00 0.00 178.44 178.42 1x4q h PHE 74 N -0.24 1.00 0.00 1.25 -1.00 -1.42 1.00 116.94 117.52 1x4q h PHE 74 Ca -0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1x4q h PHE 74 Cb 0.16 -0.29 -0.00 0.00 3.61 0.00 0.00 35.95 39.43 1x4q h PHE 74 CO 0.16 0.07 -0.10 1.49 -1.61 0.00 0.00 178.31 178.32 1x4q h GLU 75 N 0.57 0.00 -0.06 1.51 4.22 -1.52 -3.21 114.58 116.09 1x4q h GLU 75 Ca 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 60.08 1x4q h GLU 75 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1x4q h GLU 75 CO -0.46 0.10 0.04 0.00 -2.18 0.00 0.00 179.01 176.50 1x4q h ALA 76 N 1.90 0.08 -0.88 2.92 0.00 0.43 -0.73 119.26 122.97 1x4q h ALA 76 Ca -0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1x4q h ALA 76 Cb 0.73 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.34 1x4q h ALA 76 CO 0.01 -0.40 -0.27 0.28 0.00 0.00 0.00 179.25 178.87 1x4q n VAL 77 N -5.02 -0.41 0.42 0.00 0.31 -1.16 0.24 118.33 112.71 1x4q n VAL 77 Ca -0.06 2.04 0.12 0.00 -0.01 0.00 0.00 64.34 66.43 1x4q n VAL 77 Cb 0.05 -2.77 0.23 0.00 -0.91 0.00 0.00 33.84 30.44 1x4q n VAL 77 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1x4q h GLU 78 N 0.00 0.00 -0.04 5.55 4.39 -1.72 -2.26 114.58 120.50 1x4q h GLU 78 Ca 0.37 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.88 1x4q h GLU 78 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1x4q h GLU 78 CO -0.89 0.00 -0.80 1.49 -1.16 0.00 0.00 179.01 177.65 1x4q h GLU 79 N 0.00 0.35 0.05 2.33 4.57 0.46 -2.32 114.58 120.01 1x4q h GLU 79 Ca 0.00 -0.32 -0.36 0.00 -1.18 0.00 0.00 59.36 57.50 1x4q h GLU 79 Cb 0.85 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1x4q h GLU 79 CO 0.00 0.98 -2.07 0.41 -1.18 0.00 0.00 179.01 177.15 1x4q n GLY 80 N 0.69 -0.54 0.21 1.92 0.00 0.14 -4.29 105.19 103.31 1x4q n GLY 80 Ca -0.05 -0.16 0.04 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 -0.29 0.00 -3.98 1.61 3.08 -1.55 -3.44 114.38 109.82 1x4q h ARG 81 Ca -0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.10 1x4q h ARG 81 Cb 1.81 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.81 1x4q h ARG 81 CO -0.08 0.28 1.11 0.45 -1.07 0.00 0.00 179.97 180.65 1x4q n SER 82 N -4.17 0.38 -0.10 7.04 2.88 -0.87 -4.76 113.62 114.01 1x4q n SER 82 Ca -0.02 0.31 -0.21 0.00 -1.33 0.00 0.00 58.87 57.62 1x4q n SER 82 Cb 0.33 -0.66 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 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 6.49 1.60 -4.19 -3.46 2.88 -1.26 -5.05 113.62 110.63 1x4q n SER 83 Ca 0.44 0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 58.13 1x4q n SER 83 Cb -0.00 -0.66 -0.10 0.00 -0.75 0.00 0.00 64.21 62.70 1x4q n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1x4q s ARG 84 N -2.46 1.19 -0.16 -1.46 1.81 -1.26 -5.09 118.95 111.52 1x4q s ARG 84 Ca -0.30 -1.60 -0.16 0.00 -1.72 0.00 0.00 55.73 51.95 1x4q s ARG 84 Cb 0.11 0.27 -0.13 0.00 -0.45 0.00 0.00 34.95 34.75 1x4q s ARG 84 CO 0.38 -0.39 0.20 1.25 -0.68 0.00 0.00 175.30 176.07 1x4q h HIS 85 N 2.63 0.00 -3.39 -0.53 2.76 -2.03 -3.43 115.15 111.17 1x4q h HIS 85 Ca -0.36 0.00 -0.77 0.00 -2.20 0.00 0.00 60.37 57.04 1x4q h HIS 85 Cb 1.25 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 29.96 1x4q h HIS 85 CO 0.36 0.76 -0.10 0.45 -1.30 0.00 0.00 177.93 178.10 1x4q s SER 86 N -6.21 6.40 -0.43 3.26 0.15 -1.26 -4.99 113.70 110.61 1x4q s SER 86 Ca -0.18 -2.15 0.03 0.00 0.70 0.00 0.00 55.95 54.34 1x4q s SER 86 Cb 0.02 -2.20 0.12 0.00 -1.71 0.00 0.00 66.02 62.25 1x4q s SER 86 CO 0.42 -0.74 0.18 -0.94 1.20 0.00 0.00 173.24 173.36 1x4q s SER 87 N 3.00 4.30 0.00 5.45 1.04 -1.26 -5.05 113.70 121.18 1x4q s SER 87 Ca 0.09 -2.56 0.00 0.00 0.48 0.00 0.00 55.95 53.96 1x4q s SER 87 Cb -0.22 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1x4q s SER 87 CO -0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1x4q n GLY 88 N 3.69 2.95 3.58 7.32 0.00 -1.26 -4.98 105.19 116.48 1x4q n GLY 88 Ca 0.05 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.84 3.12 -0.53 1.61 0.04 -1.26 -4.87 135.00 130.27 1x4q s PRO 89 Ca 0.00 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.13 1x4q s PRO 89 Cb 0.00 -4.24 0.44 0.00 0.04 0.00 0.00 34.50 30.74 1x4q s PRO 89 CO 0.00 -2.12 1.64 0.45 0.04 0.00 0.00 177.00 177.01 1x4q n SER 90 N 10.92 6.38 -2.26 6.66 2.88 -1.26 -5.00 113.62 131.94 1x4q n SER 90 Ca 0.21 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.98 1x4q n SER 90 Cb 0.49 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1x4q n SER 90 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 91 N -0.76 -9.33 0.00 -3.46 2.88 -1.26 -5.24 113.62 96.46 1x4q n SER 91 Ca 0.53 1.73 0.00 0.00 -1.33 0.00 0.00 58.87 59.80 1x4q n SER 91 Cb 0.72 -5.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42