#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 -1.19 -4.49 1.61 3.41 -1.26 -5.11 113.62 106.59 1x4q n SER 2 Ca 0.00 -1.94 -0.60 0.00 -0.26 0.00 0.00 58.87 56.07 1x4q n SER 2 Cb 0.00 0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1x4q n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x4q n SER 3 N -0.98 1.34 0.00 4.04 2.88 -1.26 -4.69 113.62 114.95 1x4q n SER 3 Ca -0.12 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1x4q n SER 3 Cb 0.77 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 5.90 -0.79 3.53 0.46 0.00 -1.26 -5.13 105.19 107.90 1x4q n GLY 4 Ca 0.42 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.00 5.49 0.11 1.61 1.04 -1.26 -5.07 113.70 111.62 1x4q s SER 5 Ca 0.00 -0.08 -0.25 0.00 0.48 0.00 0.00 55.95 56.10 1x4q s SER 5 Cb 0.00 -1.98 0.08 0.00 0.10 0.00 0.00 66.02 64.21 1x4q s SER 5 CO 0.00 0.01 0.71 -0.55 0.98 0.00 0.00 173.24 174.39 1x4q s SER 6 N 1.34 -0.48 -0.07 7.02 0.15 -1.26 -5.12 113.70 115.28 1x4q s SER 6 Ca 0.06 -0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 1x4q s SER 6 Cb -0.15 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.64 1x4q s SER 6 CO 0.05 -0.87 1.76 -0.83 1.20 0.00 0.00 173.24 174.54 1x4q s GLY 7 N -2.68 1.40 0.62 9.45 0.00 -1.26 -4.99 107.32 109.86 1x4q s GLY 7 Ca 0.03 0.94 0.08 0.00 0.00 0.00 0.00 44.72 45.77 1x4q s GLY 7 CO -0.10 3.18 0.86 -3.16 0.00 0.00 0.00 173.10 173.88 1x4q s MET 8 N 4.39 2.10 0.00 2.90 0.00 -1.26 -5.05 119.30 122.39 1x4q s MET 8 Ca 0.78 -1.64 0.00 0.00 0.00 0.00 0.00 55.69 54.84 1x4q s MET 8 Cb -0.34 -2.58 0.00 0.00 0.00 0.00 0.00 34.83 31.91 1x4q s MET 8 CO 0.33 -1.06 0.96 0.00 0.00 0.00 0.00 175.02 175.24 1x4q n ALA 9 N -2.41 -0.22 -2.55 3.16 0.00 -1.23 -4.71 120.51 112.55 1x4q n ALA 9 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1x4q n ALA 9 Cb 0.62 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.21 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 -4.73 2.95 0.00 0.00 1.43 -1.26 -5.05 118.68 112.02 1x4q s LEU 10 Ca 0.00 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 1x4q s LEU 10 Cb 0.00 -1.76 0.18 0.00 0.03 0.00 0.00 46.19 44.65 1x4q s LEU 10 CO 0.00 0.19 1.01 -1.54 0.23 0.00 0.00 176.35 176.24 1x4q n SER 11 N 0.84 -0.20 0.23 2.29 3.41 -1.26 -4.80 113.62 114.12 1x4q n SER 11 Ca -0.14 -1.32 0.11 0.00 -0.26 0.00 0.00 58.87 57.26 1x4q n SER 11 Cb 0.52 -0.79 0.49 0.00 -0.26 0.00 0.00 64.21 64.18 1x4q n SER 11 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1x4q h LYS 12 N 0.00 0.00 0.04 4.33 3.64 -2.00 -2.72 116.57 119.86 1x4q h LYS 12 Ca -0.33 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.72 1x4q h LYS 12 Cb 0.93 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 1x4q h LYS 12 CO 0.23 0.20 -1.91 2.89 -2.27 0.00 0.00 179.45 178.59 1x4q n ARG 13 N -3.37 0.68 0.23 1.90 1.85 -1.26 -3.69 116.66 113.00 1x4q n ARG 13 Ca 0.00 0.25 -0.15 0.00 -1.00 0.00 0.00 57.85 56.95 1x4q n ARG 13 Cb 0.41 -1.73 -0.08 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.02 -0.55 -0.20 2.89 5.08 -1.89 -2.83 114.58 117.09 1x4q h GLU 14 Ca -0.37 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1x4q h GLU 14 Cb 2.04 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.41 1x4q h GLU 14 CO 0.07 -0.29 0.14 -0.07 -1.00 0.00 0.00 179.01 177.86 1x4q h LEU 15 N -0.74 0.12 -1.14 1.33 3.38 -1.69 -1.62 115.31 114.96 1x4q h LEU 15 Ca -0.06 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1x4q h LEU 15 Cb 0.52 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1x4q h LEU 15 CO 0.10 0.09 0.60 -0.78 0.09 0.00 0.00 178.44 178.53 1x4q h ASP 16 N 0.14 0.88 0.94 -0.43 1.82 -1.58 0.14 116.42 118.33 1x4q h ASP 16 Ca 0.08 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1x4q h ASP 16 Cb 0.16 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 1x4q h ASP 16 CO -0.01 0.53 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.76 1x4q h GLU 17 N 0.98 0.00 0.21 0.28 4.39 -1.22 -2.99 114.58 116.23 1x4q h GLU 17 Ca 0.42 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.78 1x4q h GLU 17 Cb 0.33 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1x4q h GLU 17 CO -0.18 0.06 -1.58 -0.07 -1.16 0.00 0.00 179.01 176.08 1x4q h LEU 18 N 0.00 0.69 -0.99 1.33 -0.00 -0.78 -3.29 115.31 112.27 1x4q h LEU 18 Ca -0.00 -0.85 0.09 0.00 -0.00 0.00 0.00 57.88 57.12 1x4q h LEU 18 Cb 0.54 -0.22 -0.12 0.00 -0.00 0.00 0.00 40.66 40.85 1x4q h LEU 18 CO 0.01 1.69 -0.58 0.11 -0.00 0.00 0.00 178.44 179.68 1x4q h LYS 19 N 0.12 -0.00 0.00 1.13 1.57 -1.10 1.41 116.57 119.69 1x4q h LYS 19 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1x4q h LYS 19 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.43 1x4q h LYS 19 CO 0.22 -0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 178.75 1x4q n PRO 20 N -5.27 0.15 0.05 3.15 -0.04 -1.25 -1.21 135.00 130.57 1x4q n PRO 20 Ca 0.03 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1x4q n PRO 20 Cb 0.27 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 1x4q n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1x4q n TRP 21 N -2.05 0.65 -0.05 0.54 -0.00 0.39 -3.96 117.44 112.96 1x4q n TRP 21 Ca 0.02 0.20 -0.20 0.00 -0.00 0.00 0.00 57.50 57.52 1x4q n TRP 21 Cb 0.21 -0.86 -0.13 0.00 -0.00 0.00 0.00 31.31 30.53 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 -2.60 1.66 -0.12 5.87 5.41 0.35 -3.33 119.36 126.61 1x4q n ILE 22 Ca -0.05 -0.62 0.07 0.00 1.00 0.00 0.00 62.75 63.15 1x4q n ILE 22 Cb 0.64 -1.60 0.40 0.00 -0.71 0.00 0.00 39.64 38.37 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 0.62 0.19 0.38 5.08 -1.35 0.82 114.58 120.36 1x4q h GLU 23 Ca -0.49 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 57.57 1x4q h GLU 23 Cb 1.98 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 31.12 1x4q h GLU 23 CO 0.02 0.41 -1.15 1.57 -1.00 0.00 0.00 179.01 178.86 1x4q h LYS 24 N 0.63 0.44 0.51 2.33 2.10 -1.74 -3.29 116.57 117.55 1x4q h LYS 24 Ca 0.26 -0.73 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1x4q h LYS 24 Cb 0.23 0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1x4q h LYS 24 CO -0.08 1.35 -0.24 1.15 -2.00 0.00 0.00 179.45 179.62 1x4q h THR 25 N -0.08 0.49 -1.23 0.07 2.02 -1.43 -2.57 112.91 110.17 1x4q h THR 25 Ca -0.20 -0.11 0.36 0.00 0.77 0.00 0.00 66.41 67.23 1x4q h THR 25 Cb 1.90 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 68.76 1x4q h THR 25 CO 0.22 0.02 0.83 0.58 0.37 0.00 0.00 175.52 177.53 1x4q h VAL 26 N -0.75 0.33 -0.27 3.16 2.07 -1.00 0.93 116.25 120.72 1x4q h VAL 26 Ca -0.07 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 1x4q h VAL 26 Cb 0.55 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1x4q h VAL 26 CO 0.11 0.03 -0.35 0.50 0.02 0.00 0.00 177.57 177.89 1x4q h LYS 27 N 0.17 0.59 0.05 1.57 3.64 -1.53 -1.53 116.57 119.53 1x4q h LYS 27 Ca 0.68 -0.28 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 1x4q h LYS 27 Cb 2.19 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 34.03 1x4q h LYS 27 CO -0.24 0.86 -0.85 0.00 -2.27 0.00 0.00 179.45 176.94 1x4q h ARG 28 N 0.50 0.49 0.06 1.90 2.47 0.98 1.47 114.38 122.25 1x4q h ARG 28 Ca 0.05 -0.59 -0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1x4q h ARG 28 Cb 0.84 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1x4q h ARG 28 CO 0.07 1.23 -0.03 0.28 0.56 0.00 0.00 179.97 182.08 1x4q h VAL 29 N 0.02 1.00 0.03 2.04 2.07 -0.86 -3.24 116.25 117.31 1x4q h VAL 29 Ca -0.12 -0.19 -0.30 0.00 0.82 0.00 0.00 66.70 66.91 1x4q h VAL 29 Cb 1.56 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1x4q h VAL 29 CO 0.16 0.05 -1.68 -0.07 0.02 0.00 0.00 177.57 176.06 1x4q h LEU 30 N -0.16 0.11 0.00 2.57 3.38 -1.39 -3.49 115.31 116.33 1x4q h LEU 30 Ca -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1x4q h LEU 30 Cb 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x4q h LEU 30 CO 0.01 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1x4q n GLY 31 N 1.62 0.40 0.00 0.83 0.00 0.50 -4.80 105.19 103.73 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 -0.51 1.61 1.16 -1.02 -4.88 117.46 111.82 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 -1.92 -4.53 5.98 2.88 -1.24 -4.78 113.62 108.64 1x4q n SER 33 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1x4q n SER 33 Cb 0.23 -0.96 -0.12 0.00 -0.75 0.00 0.00 64.21 62.61 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 -2.94 2.64 -0.00 -1.46 2.56 -1.26 -4.91 118.70 113.32 1x4q s GLU 34 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 54.97 54.12 1x4q s GLU 34 Cb 0.00 -2.50 -0.18 0.00 2.00 0.00 0.00 34.13 33.45 1x4q s GLU 34 CO 0.00 0.64 1.29 -1.00 -0.56 0.00 0.00 175.26 175.64 1x4q h PRO 35 N 5.30 0.12 -0.18 4.30 0.13 -2.00 -2.67 132.00 137.01 1x4q h PRO 35 Ca -0.48 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1x4q h PRO 35 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x4q h PRO 35 CO 0.51 0.57 0.14 0.00 -0.23 0.00 0.00 178.00 179.00 1x4q h THR 36 N -0.32 0.84 -0.03 1.56 1.03 -1.99 -2.26 112.91 111.74 1x4q h THR 36 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.35 1x4q h THR 36 Cb 0.55 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1x4q h THR 36 CO 0.01 0.00 -0.21 0.58 -0.01 0.00 0.00 175.52 175.90 1x4q h VAL 37 N 0.00 1.49 -0.81 0.00 2.07 -1.88 -2.71 116.25 114.41 1x4q h VAL 37 Ca 0.09 -1.73 0.20 0.00 0.82 0.00 0.00 66.70 66.07 1x4q h VAL 37 Cb 0.36 2.52 -0.13 0.00 -1.52 0.00 0.00 31.29 32.52 1x4q h VAL 37 CO -0.00 0.48 0.13 0.58 0.02 0.00 0.00 177.57 178.78 1x4q h VAL 38 N -0.40 0.35 0.21 2.57 2.07 -1.05 -1.35 116.25 118.65 1x4q h VAL 38 Ca -0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1x4q h VAL 38 Cb 0.89 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1x4q h VAL 38 CO 0.04 0.03 -0.10 0.74 0.02 0.00 0.00 177.57 178.30 1x4q h THR 39 N 0.17 0.84 -0.49 2.57 2.02 -1.59 -2.41 112.91 114.03 1x4q h THR 39 Ca 0.48 -0.84 0.14 0.00 0.77 0.00 0.00 66.41 66.97 1x4q h THR 39 Cb 0.90 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1x4q h THR 39 CO -0.64 0.17 0.78 0.00 0.37 0.00 0.00 175.52 176.20 1x4q h ALA 40 N -0.12 2.26 0.00 6.16 0.00 -0.97 0.50 119.26 127.09 1x4q h ALA 40 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1x4q h ALA 40 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1x4q h ALA 40 CO 0.05 -1.04 -0.68 0.00 0.00 0.00 0.00 179.25 177.58 1x4q h ALA 41 N 0.89 0.13 -1.00 0.00 0.00 -1.13 -3.18 119.26 114.98 1x4q h ALA 41 Ca 0.23 -0.80 0.22 0.00 0.00 0.00 0.00 54.91 54.56 1x4q h ALA 41 Cb 1.80 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 19.92 1x4q h ALA 41 CO -0.00 0.41 0.62 -0.07 0.00 0.00 0.00 179.25 180.21 1x4q h LEU 42 N -1.00 0.65 -0.26 0.00 3.38 -0.43 -0.04 115.31 117.63 1x4q h LEU 42 Ca -0.17 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1x4q h LEU 42 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1x4q h LEU 42 CO -0.10 0.20 -0.18 -1.13 0.09 0.00 0.00 178.44 177.32 1x4q h ASN 43 N 0.62 0.60 0.03 -0.43 -0.73 -1.44 -1.28 115.58 112.94 1x4q h ASN 43 Ca 0.58 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1x4q h ASN 43 Cb 1.11 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 1x4q h ASN 43 CO -0.36 0.91 -0.14 0.00 -0.37 0.00 0.00 177.43 177.47 1x4q h VAL 45 N -0.20 1.10 -0.03 0.00 -1.51 -1.56 0.27 116.25 114.32 1x4q h VAL 45 Ca -0.00 -0.32 -0.07 0.00 -1.23 0.00 0.00 66.70 65.08 1x4q h VAL 45 Cb 0.20 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.44 1x4q h VAL 45 CO -0.08 0.17 -0.32 1.23 -1.23 0.00 0.00 177.57 177.34 1x4q h GLY 46 N 0.93 0.06 -3.65 5.19 0.00 -0.71 -2.48 103.07 102.42 1x4q h GLY 46 Ca 0.32 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.38 1x4q h GLY 46 CO -0.10 0.04 0.28 1.17 0.00 0.00 0.00 176.54 177.94 1x4q n LYS 47 N -4.14 3.58 -1.05 4.80 0.00 0.27 -3.58 118.16 118.03 1x4q n LYS 47 Ca -0.02 -2.94 -0.07 0.00 0.00 0.00 0.00 58.31 55.28 1x4q n LYS 47 Cb 0.37 -2.18 -0.03 0.00 0.00 0.00 0.00 35.03 33.19 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 -0.16 0.67 3.09 3.14 0.00 -0.93 -4.86 105.19 106.14 1x4q n GLY 48 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.02 -0.26 -4.62 1.61 2.81 -0.02 -4.98 117.12 110.64 1x4q n MET 49 Ca -0.07 -0.07 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 1x4q n MET 49 Cb 0.30 -1.21 -0.12 0.00 -0.71 0.00 0.00 33.22 31.48 1x4q n MET 49 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1x4q s ASP 50 N -1.25 4.30 0.48 7.83 -4.77 -1.26 -4.85 116.67 117.14 1x4q s ASP 50 Ca 0.43 -0.21 0.42 0.00 -3.30 0.00 0.00 52.55 49.90 1x4q s ASP 50 Cb -0.07 -0.93 1.45 0.00 -1.09 0.00 0.00 42.92 42.27 1x4q s ASP 50 CO 0.73 0.30 1.32 0.29 0.70 0.00 0.00 175.17 178.50 1x4q n LYS 51 N 1.79 0.00 0.15 2.11 5.02 -1.26 0.20 118.16 126.16 1x4q n LYS 51 Ca -0.16 0.92 -0.07 0.00 -2.02 0.00 0.00 58.31 56.98 1x4q n LYS 51 Cb 0.52 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.42 0.51 1.97 1.57 -2.01 -3.16 116.57 115.02 1x4q h LYS 52 Ca 0.79 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.58 1x4q h LYS 52 Cb 3.20 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 35.60 1x4q h LYS 52 CO -0.01 -0.28 -0.31 0.87 -0.57 0.00 0.00 179.45 179.15 1x4q h LYS 53 N -0.97 -0.75 -0.82 3.15 1.57 -0.65 -3.08 116.57 115.03 1x4q h LYS 53 Ca -0.04 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1x4q h LYS 53 Cb 0.34 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 1x4q h LYS 53 CO 0.07 -0.50 -0.46 0.00 -0.57 0.00 0.00 179.45 177.99 1x4q n ALA 54 N -2.52 -0.47 -0.34 3.86 0.00 0.07 0.29 120.51 121.40 1x4q n ALA 54 Ca -0.12 0.71 0.01 0.00 0.00 0.00 0.00 53.44 54.04 1x4q n ALA 54 Cb 0.34 -0.15 0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 0.51 0.31 -0.55 0.00 0.00 -1.50 1.41 119.26 119.42 1x4q h ALA 55 Ca 0.15 0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1x4q h ALA 55 Cb 0.36 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1x4q h ALA 55 CO -0.77 -0.54 0.38 0.22 0.00 0.00 0.00 179.25 178.53 1x4q h ASP 56 N -0.02 0.23 1.50 0.00 3.58 -0.19 0.87 116.42 122.39 1x4q h ASP 56 Ca 0.37 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.74 1x4q h ASP 56 Cb 0.62 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1x4q h ASP 56 CO -0.94 0.13 -0.43 -0.74 -2.88 0.00 0.00 179.24 174.38 1x4q h HIS 57 N 0.25 0.00 -0.36 0.28 2.76 0.23 -3.19 115.15 115.11 1x4q h HIS 57 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1x4q h HIS 57 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1x4q h HIS 57 CO -0.00 0.43 0.00 1.28 -1.30 0.00 0.00 177.93 178.34 1x4q n LEU 58 N -3.23 3.12 0.30 0.26 4.77 0.46 -4.57 117.00 118.11 1x4q n LEU 58 Ca 0.02 -1.64 -0.14 0.00 -0.03 0.00 0.00 56.01 54.22 1x4q n LEU 58 Cb 0.69 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1x4q n LEU 58 CO 0.39 0.71 0.43 0.50 -1.33 0.00 0.00 177.39 178.09 1x4q h LYS 59 N 3.32 -0.77 0.00 3.23 1.63 0.63 0.92 116.57 125.52 1x4q h LYS 59 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1x4q h LYS 59 Cb 0.82 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1x4q h LYS 59 CO 0.00 -0.47 0.00 -0.35 -3.45 0.00 0.00 179.45 175.18 1x4q n PRO 60 N -5.33 0.24 -0.05 1.90 -0.04 -1.26 -0.20 135.00 130.26 1x4q n PRO 60 Ca -0.11 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1x4q n PRO 60 Cb 0.34 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.08 0.54 3.72 -1.14 -4.91 117.46 114.49 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 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -2.36 0.52 0.00 4.37 4.77 0.31 -4.88 117.00 119.74 1x4q n LEU 62 Ca -0.16 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x4q n LEU 62 Cb 0.81 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1x4q n LEU 62 CO 0.23 -0.72 0.00 0.47 -1.33 0.00 0.00 177.39 176.04 1x4q n ASP 63 N -3.43 0.00 0.28 -1.43 8.00 0.72 -2.93 116.55 117.77 1x4q n ASP 63 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1x4q n ASP 63 Cb 0.03 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.88 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 -0.25 -2.24 3.58 -1.92 -2.72 116.42 112.88 1x4q h ASP 64 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1x4q h ASP 64 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 1x4q h ASP 64 CO 0.00 0.00 -0.29 -1.20 -2.88 0.00 0.00 179.24 174.87 1x4q n SER 65 N -3.08 2.42 0.00 2.28 7.64 -1.15 -4.78 113.62 116.96 1x4q n SER 65 Ca 0.00 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1x4q n SER 65 Cb 0.27 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1x4q n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x4q n THR 66 N -1.09 0.00 -0.51 0.44 -1.04 -1.02 -2.44 114.28 108.62 1x4q n THR 66 Ca 0.29 0.26 0.44 0.00 -2.04 0.00 0.00 64.05 63.00 1x4q n THR 66 Cb 0.88 -1.01 0.79 0.00 -1.82 0.00 0.00 70.33 69.17 1x4q n THR 66 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x4q h LEU 67 N 0.00 0.00 0.17 -4.42 3.38 -1.87 0.64 115.31 113.22 1x4q h LEU 67 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1x4q h LEU 67 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1x4q h LEU 67 CO 0.00 -0.00 -1.26 -0.09 0.09 0.00 0.00 178.44 177.17 1x4q h ARG 68 N 0.00 0.36 0.20 1.13 2.43 -1.87 -3.21 114.38 113.42 1x4q h ARG 68 Ca 0.74 -0.61 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1x4q h ARG 68 Cb 2.98 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 32.76 1x4q h ARG 68 CO -0.01 1.29 -0.09 0.35 -1.51 0.00 0.00 179.97 180.00 1x4q h PHE 69 N -0.17 -0.24 -1.45 2.20 3.04 0.46 -3.14 116.94 117.63 1x4q h PHE 69 Ca -0.24 -0.01 0.42 0.00 3.98 0.00 0.00 57.97 62.12 1x4q h PHE 69 Cb 1.86 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 40.39 1x4q h PHE 69 CO 0.15 -0.15 1.07 -0.24 -2.02 0.00 0.00 178.31 177.12 1x4q h VAL 70 N -0.43 0.24 -0.63 1.41 3.04 -0.82 0.73 116.25 119.79 1x4q h VAL 70 Ca -0.03 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.62 1x4q h VAL 70 Cb 0.20 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 29.71 1x4q h VAL 70 CO 0.04 0.00 0.22 -0.78 -1.01 0.00 0.00 177.57 176.05 1x4q h ASP 71 N 0.00 0.90 0.73 3.17 3.58 -1.55 -2.71 116.42 120.54 1x4q h ASP 71 Ca 0.69 -0.19 -0.20 0.00 0.42 0.00 0.00 57.03 57.75 1x4q h ASP 71 Cb 2.82 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 43.62 1x4q h ASP 71 CO -0.01 0.85 -0.94 0.11 -2.88 0.00 0.00 179.24 176.37 1x4q h LYS 72 N 0.90 0.12 0.57 0.28 1.79 0.47 -3.24 116.57 117.46 1x4q h LYS 72 Ca 0.21 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1x4q h LYS 72 Cb 0.25 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1x4q h LYS 72 CO -0.01 0.97 -0.50 1.25 -1.08 0.00 0.00 179.45 180.08 1x4q h LEU 73 N 0.05 -1.34 -1.60 2.94 5.85 -1.05 0.13 115.31 120.30 1x4q h LEU 73 Ca -0.04 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1x4q h LEU 73 Cb 1.61 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 43.02 1x4q h LEU 73 CO 0.14 -0.68 0.50 -0.26 -0.34 0.00 0.00 178.44 177.80 1x4q h PHE 74 N -1.05 0.46 0.00 1.25 -1.00 -1.61 0.48 116.94 115.48 1x4q h PHE 74 Ca -0.07 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1x4q h PHE 74 Cb 0.89 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1x4q h PHE 74 CO -0.22 0.17 0.00 0.93 -1.61 0.00 0.00 178.31 177.58 1x4q h GLU 75 N 0.39 0.00 -0.22 1.51 5.08 -1.40 -3.25 114.58 116.70 1x4q h GLU 75 Ca 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1x4q h GLU 75 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1x4q h GLU 75 CO -0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.84 1x4q h ALA 76 N 2.40 0.30 -1.03 3.43 0.00 0.27 -1.40 119.26 123.23 1x4q h ALA 76 Ca 0.00 -0.26 0.30 0.00 0.00 0.00 0.00 54.91 54.95 1x4q h ALA 76 Cb 0.68 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 1x4q h ALA 76 CO 0.00 0.09 0.61 0.28 0.00 0.00 0.00 179.25 180.23 1x4q h VAL 77 N 0.14 0.40 0.00 0.00 2.07 -1.58 0.94 116.25 118.22 1x4q h VAL 77 Ca 0.05 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1x4q h VAL 77 Cb 0.52 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1x4q h VAL 77 CO 0.02 0.07 -0.79 -0.33 0.02 0.00 0.00 177.57 176.56 1x4q h GLU 78 N 0.40 0.00 0.00 1.57 4.39 -1.72 -3.13 114.58 116.10 1x4q h GLU 78 Ca 0.69 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1x4q h GLU 78 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1x4q h GLU 78 CO -0.51 0.00 -0.04 1.49 -1.16 0.00 0.00 179.01 178.80 1x4q h GLU 79 N 0.00 0.00 -0.55 2.33 4.57 0.18 -1.29 114.58 119.82 1x4q h GLU 79 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x4q h GLU 79 Cb 0.89 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1x4q h GLU 79 CO 0.00 0.00 0.34 0.78 -1.18 0.00 0.00 179.01 178.95 1x4q h GLY 80 N -0.55 0.79 0.07 1.92 0.00 -0.49 -3.28 103.07 101.53 1x4q h GLY 80 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1x4q h GLY 80 CO 0.00 0.31 -0.02 3.21 0.00 0.00 0.00 176.54 180.04 1x4q h ARG 81 N 0.74 -0.07 -4.68 4.80 3.08 -1.67 -3.50 114.38 113.08 1x4q h ARG 81 Ca 0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1x4q h ARG 81 Cb -0.03 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 29.92 1x4q h ARG 81 CO -0.04 0.19 -1.36 0.45 -1.07 0.00 0.00 179.97 178.14 1x4q n SER 82 N -4.79 -0.79 -4.21 7.04 2.88 -0.49 -4.98 113.62 108.28 1x4q n SER 82 Ca -0.03 1.17 -0.37 0.00 -1.33 0.00 0.00 58.87 58.30 1x4q n SER 82 Cb 0.14 -4.65 -0.12 0.00 -0.75 0.00 0.00 64.21 58.83 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 -0.56 5.31 -0.25 -3.46 0.01 -1.26 -4.84 113.70 108.65 1x4q s SER 83 Ca -0.24 -1.52 -0.22 0.00 1.31 0.00 0.00 55.95 55.27 1x4q s SER 83 Cb 0.02 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.42 1x4q s SER 83 CO 0.66 -0.44 0.37 0.54 0.41 0.00 0.00 173.24 174.78 1x4q n ARG 84 N 4.75 -1.16 -1.96 12.44 5.12 -1.26 -4.92 116.66 129.67 1x4q n ARG 84 Ca -0.09 1.05 -0.01 0.00 -1.93 0.00 0.00 57.85 56.87 1x4q n ARG 84 Cb 0.43 -1.43 0.05 0.00 -1.16 0.00 0.00 32.46 30.35 1x4q n ARG 84 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1x4q n HIS 85 N 0.35 -0.82 0.27 -1.55 -0.00 -1.26 -5.03 115.22 107.17 1x4q n HIS 85 Ca -0.05 -0.68 -0.17 0.00 0.46 0.00 0.00 57.72 57.28 1x4q n HIS 85 Cb 0.55 0.95 -0.09 0.00 -0.12 0.00 0.00 29.99 31.29 1x4q n HIS 85 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1x4q h SER 86 N 0.40 -1.21 -2.77 0.26 0.02 -1.97 -3.41 113.55 104.87 1x4q h SER 86 Ca -0.18 0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.34 1x4q h SER 86 Cb 1.12 0.40 0.04 0.00 0.14 0.00 0.00 62.40 64.10 1x4q h SER 86 CO -0.08 -0.60 0.93 -0.44 -1.14 0.00 0.00 176.83 175.50 1x4q s SER 87 N -4.46 6.57 0.00 3.07 0.01 -1.26 -4.85 113.70 112.78 1x4q s SER 87 Ca -0.17 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1x4q s SER 87 Cb 0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1x4q s SER 87 CO 0.62 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x4q n GLY 88 N 3.84 0.55 3.77 3.44 0.00 -1.26 -5.12 105.19 110.41 1x4q n GLY 88 Ca 0.15 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.29 3.01 0.00 1.61 0.04 -1.26 -4.99 135.00 132.12 1x4q s PRO 89 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1x4q s PRO 89 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1x4q s PRO 89 CO 0.00 -1.09 0.00 -1.13 0.04 0.00 0.00 177.00 174.82 1x4q n SER 90 N -1.99 0.95 -4.64 6.66 3.41 -1.26 -5.07 113.62 111.68 1x4q n SER 90 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 1x4q n SER 90 Cb 0.52 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.65 1x4q n SER 90 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4q s SER 91 N -4.74 2.37 0.00 4.04 0.15 -1.26 -5.19 113.70 109.07 1x4q s SER 91 Ca 0.00 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1x4q s SER 91 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1x4q s SER 91 CO 0.00 -3.31 0.00 0.61 1.20 0.00 0.00 173.24 171.74