#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jzq s GLN 26 N 0.00 4.57 0.21 3.52 -0.21 -1.26 -4.19 119.66 122.30 3jzq s GLN 26 Ca 0.00 1.20 0.04 0.00 0.02 0.00 0.00 55.36 56.62 3jzq s GLN 26 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 3jzq s GLN 26 CO 0.00 0.47 -0.04 0.14 -2.12 0.00 0.00 175.29 173.74 3jzq s VAL 27 N -1.32 1.14 -0.31 1.09 -7.23 0.74 -4.81 120.40 109.70 3jzq s VAL 27 Ca 0.41 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 3jzq s VAL 27 Cb -0.22 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3jzq s VAL 27 CO 0.26 -0.44 0.12 -0.60 -0.31 0.00 0.00 175.10 174.13 3jzq s ARG 28 N -3.82 3.20 0.29 4.82 3.00 0.34 -1.15 118.95 125.64 3jzq s ARG 28 Ca 0.25 -0.80 -0.28 0.00 -1.00 0.00 0.00 55.73 53.90 3jzq s ARG 28 Cb 0.04 -3.48 -0.09 0.00 0.00 0.00 0.00 34.95 31.42 3jzq s ARG 28 CO 0.07 -0.44 1.02 -2.14 0.00 0.00 0.00 175.30 173.81 3jzq s PRO 29 N 1.56 4.63 0.80 5.12 0.02 -1.26 -1.07 135.00 144.80 3jzq s PRO 29 Ca 0.04 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 62.53 3jzq s PRO 29 Cb -0.17 -3.06 0.08 0.00 0.02 0.00 0.00 34.50 31.36 3jzq s PRO 29 CO 0.04 0.26 1.16 0.15 -0.33 0.00 0.00 177.00 178.29 3jzq s LYS 30 N -1.61 1.78 0.23 5.54 1.02 -0.01 -4.42 119.74 122.28 3jzq s LYS 30 Ca 0.46 1.56 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 3jzq s LYS 30 Cb -0.27 -1.81 0.31 0.00 -0.52 0.00 0.00 37.83 35.54 3jzq s LYS 30 CO 0.34 -2.06 1.60 1.25 -0.92 0.00 0.00 175.35 175.56 3jzq h LEU 31 N -1.01 -0.72 -1.10 3.17 5.85 -1.95 0.11 115.31 119.66 3jzq h LEU 31 Ca -0.45 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3jzq h LEU 31 Cb 1.27 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.73 3jzq h LEU 31 CO 0.47 -0.25 0.61 1.55 -0.34 0.00 0.00 178.44 180.48 3jzq h PRO 32 N -0.00 1.14 -0.06 5.25 0.13 -1.98 0.51 132.00 136.98 3jzq h PRO 32 Ca 0.37 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.28 3jzq h PRO 32 Cb 0.56 -0.26 0.01 0.00 0.13 0.00 0.00 31.00 31.44 3jzq h PRO 32 CO -0.79 0.76 -0.54 1.25 -0.23 0.00 0.00 178.00 178.45 3jzq h LEU 33 N 1.18 0.58 -0.84 1.56 5.85 -1.67 -2.97 115.31 119.00 3jzq h LEU 33 Ca 0.37 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.49 3jzq h LEU 33 Cb 0.01 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 3jzq h LEU 33 CO -0.11 1.18 0.50 0.25 -0.34 0.00 0.00 178.44 179.91 3jzq h LEU 34 N 0.03 0.74 -0.71 2.25 5.85 -0.35 -1.12 115.31 122.00 3jzq h LEU 34 Ca -0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3jzq h LEU 34 Cb 1.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3jzq h LEU 34 CO 0.11 0.44 0.36 0.50 -0.34 0.00 0.00 178.44 179.51 3jzq h LYS 35 N 0.86 1.02 -0.49 1.25 3.64 -0.95 0.14 116.57 122.04 3jzq h LYS 35 Ca 0.39 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3jzq h LYS 35 Cb 0.30 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3jzq h LYS 35 CO -0.22 0.78 0.01 0.82 -2.27 0.00 0.00 179.45 178.57 3jzq h ILE 36 N 0.99 1.26 -0.20 2.00 2.04 -1.23 -1.27 117.51 121.10 3jzq h ILE 36 Ca 0.25 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3jzq h ILE 36 Cb 0.09 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3jzq h ILE 36 CO -0.03 0.37 0.08 -0.07 0.00 0.00 0.00 178.15 178.50 3jzq h LEU 37 N 0.72 0.27 -0.99 1.44 3.38 -0.76 -2.32 115.31 117.04 3jzq h LEU 37 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jzq h LEU 37 Cb 0.50 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3jzq h LEU 37 CO 0.02 0.35 0.57 0.45 0.09 0.00 0.00 178.44 179.93 3jzq h HIS 38 N 0.18 1.22 -0.23 1.13 3.86 -0.67 -1.43 115.15 119.21 3jzq h HIS 38 Ca 0.07 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3jzq h HIS 38 Cb 0.16 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3jzq h HIS 38 CO -0.01 0.80 0.15 0.00 0.86 0.00 0.00 177.93 179.73 3jzq h ALA 39 N 1.35 1.95 -0.21 2.45 0.00 -0.79 -0.91 119.26 123.09 3jzq h ALA 39 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3jzq h ALA 39 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3jzq h ALA 39 CO -0.06 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3jzq n ALA 40 N -2.53 2.50 0.00 0.00 0.00 -0.64 -4.91 120.51 114.93 3jzq n ALA 40 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3jzq n ALA 40 Cb 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3jzq n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jzq n GLY 41 N 1.21 0.82 3.74 0.00 0.00 -0.35 -4.87 105.19 105.76 3jzq n GLY 41 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3jzq n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jzq s ALA 42 N -2.00 3.60 -0.16 4.61 0.00 -0.64 -4.97 121.76 122.20 3jzq s ALA 42 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3jzq s ALA 42 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3jzq s ALA 42 CO 0.00 -0.69 -0.03 -0.65 0.00 0.00 0.00 175.76 174.40 3jzq s GLN 43 N -0.34 3.70 0.02 0.00 -1.52 -1.26 -4.35 119.66 115.92 3jzq s GLN 43 Ca 0.58 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.49 3jzq s GLN 43 Cb -0.40 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 3jzq s GLN 43 CO 0.42 0.23 0.00 0.41 -0.25 0.00 0.00 175.29 176.10 3jzq n GLY 44 N 3.57 -1.83 0.00 3.09 0.00 -1.26 -4.79 105.19 103.97 3jzq n GLY 44 Ca -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3jzq n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jzq n GLU 45 N 0.00 6.12 -4.99 1.61 1.02 -1.26 -5.00 120.64 118.14 3jzq n GLU 45 Ca 0.00 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3jzq n GLU 45 Cb 0.00 -0.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.68 3jzq n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3jzq s MET 46 N -1.17 1.68 0.06 3.49 -1.94 -1.26 -4.22 119.30 115.93 3jzq s MET 46 Ca 0.00 -0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 53.14 3jzq s MET 46 Cb 0.01 -1.60 0.01 0.00 2.01 0.00 0.00 34.83 35.26 3jzq s MET 46 CO 0.03 0.43 0.27 -0.06 -0.01 0.00 0.00 175.02 175.68 3jzq s PHE 47 N -0.44 -0.03 0.54 -0.03 0.08 -0.30 -4.83 117.98 112.97 3jzq s PHE 47 Ca 0.07 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.85 3jzq s PHE 47 Cb -0.08 0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 3jzq s PHE 47 CO -0.01 -0.51 0.88 0.95 -0.10 0.00 0.00 175.22 176.44 3jzq s THR 48 N -2.93 4.65 0.41 0.64 -4.23 -1.26 -0.19 115.64 112.73 3jzq s THR 48 Ca -0.02 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 3jzq s THR 48 Cb 0.01 -3.80 0.26 0.00 1.34 0.00 0.00 72.50 70.30 3jzq s THR 48 CO -0.06 -0.89 2.05 0.58 -0.54 0.00 0.00 174.62 175.77 3jzq h VAL 49 N -0.02 1.11 -0.76 2.29 2.07 -1.97 -0.80 116.25 118.17 3jzq h VAL 49 Ca -0.46 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3jzq h VAL 49 Cb 1.21 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3jzq h VAL 49 CO 0.62 0.11 0.50 0.50 0.02 0.00 0.00 177.57 179.32 3jzq h LYS 50 N 0.54 1.00 -0.47 1.57 3.64 -1.95 0.21 116.57 121.10 3jzq h LYS 50 Ca 0.14 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3jzq h LYS 50 Cb -0.04 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3jzq h LYS 50 CO -0.03 0.66 -0.03 0.93 -2.27 0.00 0.00 179.45 178.72 3jzq h GLU 51 N 1.03 0.85 -0.22 1.90 5.08 -1.73 -0.96 114.58 120.53 3jzq h GLU 51 Ca 0.28 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3jzq h GLU 51 Cb -0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3jzq h GLU 51 CO -0.06 0.91 0.09 0.28 -1.00 0.00 0.00 179.01 179.23 3jzq h VAL 52 N 0.70 0.96 -0.88 3.13 2.07 -0.50 -1.02 116.25 120.72 3jzq h VAL 52 Ca 0.13 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3jzq h VAL 52 Cb 0.54 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3jzq h VAL 52 CO 0.03 0.04 0.49 0.24 0.02 0.00 0.00 177.57 178.39 3jzq h MET 53 N 0.20 1.21 -0.21 1.57 2.86 -0.47 -0.70 114.93 119.39 3jzq h MET 53 Ca 0.10 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3jzq h MET 53 Cb 0.05 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3jzq h MET 53 CO -0.09 0.88 0.11 1.25 1.06 0.00 0.00 176.91 180.12 3jzq h HIS 54 N 1.22 0.29 0.00 -0.22 6.17 -0.63 -2.14 115.15 119.83 3jzq h HIS 54 Ca 0.31 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.27 3jzq h HIS 54 Cb 0.01 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 29.83 3jzq h HIS 54 CO 0.01 0.27 -0.52 1.88 0.71 0.00 0.00 177.93 180.28 3jzq h TYR 55 N 0.22 0.00 -0.40 5.26 0.05 -1.02 -1.80 116.97 119.28 3jzq h TYR 55 Ca 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 3jzq h TYR 55 Cb 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3jzq h TYR 55 CO -0.03 0.52 0.04 -0.07 -1.05 0.00 0.00 178.16 177.57 3jzq h LEU 56 N 0.00 0.65 -0.74 3.88 3.38 -1.01 -0.10 115.31 121.38 3jzq h LEU 56 Ca -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3jzq h LEU 56 Cb 0.99 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3jzq h LEU 56 CO 0.07 0.77 0.37 1.23 0.09 0.00 0.00 178.44 180.97 3jzq h GLY 57 N 0.52 1.13 1.06 0.83 0.00 -1.20 -1.50 103.07 103.91 3jzq h GLY 57 Ca 0.12 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3jzq h GLY 57 CO 0.01 0.52 0.23 -1.61 0.00 0.00 0.00 176.54 175.69 3jzq h GLN 58 N 1.03 1.17 -0.32 4.80 4.15 -1.12 -0.58 115.11 124.25 3jzq h GLN 58 Ca 0.26 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3jzq h GLN 58 Cb 0.10 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3jzq h GLN 58 CO -0.03 1.00 0.21 -0.92 -1.93 0.00 0.00 178.83 177.15 3jzq h TYR 59 N 1.12 0.41 -0.85 3.99 3.20 -0.67 0.69 116.97 124.86 3jzq h TYR 59 Ca 0.24 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3jzq h TYR 59 Cb 0.32 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3jzq h TYR 59 CO 0.03 0.26 0.44 0.82 -1.64 0.00 0.00 178.16 178.07 3jzq h ILE 60 N 0.43 1.25 -0.07 1.81 2.04 -0.97 -0.31 117.51 121.70 3jzq h ILE 60 Ca 0.12 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3jzq h ILE 60 Cb -0.04 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3jzq h ILE 60 CO -0.02 0.29 -0.01 -0.03 0.00 0.00 0.00 178.15 178.38 3jzq h MET 61 N 1.19 0.13 -0.66 2.37 4.05 -0.64 -0.38 114.93 120.99 3jzq h MET 61 Ca 0.30 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 3jzq h MET 61 Cb 0.07 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3jzq h MET 61 CO -0.04 0.45 0.24 0.28 0.23 0.00 0.00 176.91 178.07 3jzq h VAL 62 N -0.20 1.24 -0.00 -5.77 2.07 -0.69 -2.05 116.25 110.85 3jzq h VAL 62 Ca 0.02 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3jzq h VAL 62 Cb 0.40 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3jzq h VAL 62 CO 0.01 0.31 -0.02 0.29 0.02 0.00 0.00 177.57 178.17 3jzq n LYS 63 N -4.38 0.94 -3.71 1.57 5.02 -0.14 -4.94 118.16 112.52 3jzq n LYS 63 Ca 0.05 -0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.91 3jzq n LYS 63 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3jzq n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3jzq n GLN 64 N -0.87 -3.62 0.11 1.97 6.02 -0.25 -4.91 117.38 115.83 3jzq n GLN 64 Ca 0.20 0.56 0.12 0.00 -0.01 0.00 0.00 57.00 57.88 3jzq n GLN 64 Cb 0.20 -4.88 0.27 0.00 1.02 0.00 0.00 30.24 26.85 3jzq n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3jzq h LEU 65 N -1.81 0.00-10.22 1.08 3.38 -1.56 -3.46 115.31 102.72 3jzq h LEU 65 Ca -0.63 -0.06 -0.48 0.00 0.09 0.00 0.00 57.88 56.80 3jzq h LEU 65 Cb 1.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.13 3jzq h LEU 65 CO 0.55 0.03 0.37 -0.72 0.09 0.00 0.00 178.44 178.76 3jzq s TYR 66 N -3.16 3.48 -0.35 1.13 -0.85 -1.26 -0.99 117.35 115.36 3jzq s TYR 66 Ca 0.08 1.42 -0.29 0.00 -0.52 0.00 0.00 57.07 57.76 3jzq s TYR 66 Cb 0.11 -2.77 0.02 0.00 0.38 0.00 0.00 41.96 39.70 3jzq s TYR 66 CO 0.66 -0.41 1.10 0.34 -1.52 0.00 0.00 175.55 175.71 3jzq s ASP 67 N -3.26 6.87 0.59 -0.18 -1.08 -0.23 -4.89 116.67 114.49 3jzq s ASP 67 Ca 0.58 0.95 0.29 0.00 -0.52 0.00 0.00 52.55 53.85 3jzq s ASP 67 Cb -0.10 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.43 3jzq s ASP 67 CO 0.35 -0.95 2.04 1.56 0.52 0.00 0.00 175.17 178.69 3jzq h GLN 68 N 8.34 0.00 0.00 4.34 4.20 -1.94 -1.05 115.11 129.00 3jzq h GLN 68 Ca -0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3jzq h GLN 68 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3jzq h GLN 68 CO 1.05 0.00 -0.62 1.04 -0.67 0.00 0.00 178.83 179.63 3jzq n GLN 69 N -3.74 0.01 -2.99 1.46 6.02 -1.26 -4.48 117.38 112.41 3jzq n GLN 69 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3jzq n GLN 69 Cb 0.41 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 3jzq n GLN 69 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3jzq n GLU 70 N -1.52 0.49 0.15 -1.09 2.13 -0.48 -5.05 120.64 115.27 3jzq n GLU 70 Ca 0.05 -2.45 0.11 0.00 0.66 0.00 0.00 57.16 55.54 3jzq n GLU 70 Cb 0.34 -1.50 0.56 0.00 0.27 0.00 0.00 31.44 31.11 3jzq n GLU 70 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3jzq n GLN 71 N 2.56 0.16 0.01 5.31 6.02 -0.72 -0.92 117.38 129.80 3jzq n GLN 71 Ca 0.21 0.57 0.14 0.00 -0.01 0.00 0.00 57.00 57.90 3jzq n GLN 71 Cb 0.54 -1.94 0.56 0.00 1.02 0.00 0.00 30.24 30.42 3jzq n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3jzq n HIS 72 N -2.26 0.11 -3.45 1.08 1.44 -1.26 -4.66 115.22 106.22 3jzq n HIS 72 Ca -0.00 0.03 -0.37 0.00 -2.01 0.00 0.00 57.72 55.37 3jzq n HIS 72 Cb 0.10 -0.53 -0.07 0.00 0.12 0.00 0.00 29.99 29.61 3jzq n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3jzq s MET 73 N -3.01 4.29 -0.15 -1.40 -1.94 -0.10 0.43 119.30 117.41 3jzq s MET 73 Ca 0.13 0.23 -0.01 0.00 -1.71 0.00 0.00 55.69 54.33 3jzq s MET 73 Cb 0.18 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 3jzq s MET 73 CO 0.56 0.20 -0.10 0.08 -0.01 0.00 0.00 175.02 175.74 3jzq s VAL 74 N 0.56 3.20 -0.20 -6.03 1.01 -0.00 -1.07 120.40 117.87 3jzq s VAL 74 Ca 0.20 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3jzq s VAL 74 Cb -0.14 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3jzq s VAL 74 CO 0.06 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.24 3jzq s TYR 75 N 0.62 2.88 -0.24 5.22 2.02 -0.16 -1.82 117.35 125.87 3jzq s TYR 75 Ca -0.06 -1.19 0.16 0.00 -0.37 0.00 0.00 57.07 55.61 3jzq s TYR 75 Cb -0.15 -2.01 0.47 0.00 -0.40 0.00 0.00 41.96 39.86 3jzq s TYR 75 CO 0.03 -0.62 1.16 0.00 -1.57 0.00 0.00 175.55 174.54 3jzq s GLY 77 N -3.46 2.22 0.00 0.00 0.00 -1.20 -2.14 107.32 102.74 3jzq s GLY 77 Ca 0.38 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.39 3jzq s GLY 77 CO -0.03 2.30 0.00 0.61 0.00 0.00 0.00 173.10 175.98 3jzq n GLY 78 N 2.50 2.26 3.85 0.20 0.00 -1.26 -4.99 105.19 107.76 3jzq n GLY 78 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3jzq n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jzq s ASP 79 N -2.64 6.69 0.46 1.61 2.15 -0.91 -4.96 116.67 119.06 3jzq s ASP 79 Ca 0.00 1.29 0.17 0.00 0.43 0.00 0.00 52.55 54.43 3jzq s ASP 79 Cb 0.00 -2.38 1.12 0.00 -0.30 0.00 0.00 42.92 41.36 3jzq s ASP 79 CO 0.00 -0.31 1.98 0.25 -0.17 0.00 0.00 175.17 176.92 3jzq h LEU 80 N 1.79 0.28 -1.20 -1.34 5.85 -1.94 -0.77 115.31 117.98 3jzq h LEU 80 Ca -0.48 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.26 3jzq h LEU 80 Cb 1.18 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3jzq h LEU 80 CO 0.64 0.16 0.53 0.25 -0.34 0.00 0.00 178.44 179.69 3jzq h LEU 81 N 0.30 0.93 -0.84 2.25 5.85 -1.93 -0.58 115.31 121.30 3jzq h LEU 81 Ca 0.27 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3jzq h LEU 81 Cb 0.66 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3jzq h LEU 81 CO -0.06 0.68 -0.20 1.23 -0.34 0.00 0.00 178.44 179.75 3jzq h GLY 82 N 1.10 0.70 0.98 3.75 0.00 -1.07 -0.40 103.07 108.14 3jzq h GLY 82 Ca 0.30 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3jzq h GLY 82 CO -0.06 0.51 0.24 -2.09 0.00 0.00 0.00 176.54 175.14 3jzq h GLU 83 N 0.57 0.82 -0.26 4.80 4.57 -1.05 -0.27 114.58 123.78 3jzq h GLU 83 Ca 0.09 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3jzq h GLU 83 Cb 0.65 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3jzq h GLU 83 CO 0.05 0.70 0.04 -0.07 -1.18 0.00 0.00 179.01 178.55 3jzq h LEU 84 N 0.76 0.41 -1.05 1.64 3.38 -0.88 -3.18 115.31 116.38 3jzq h LEU 84 Ca 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3jzq h LEU 84 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3jzq h LEU 84 CO -0.02 0.56 -0.00 -0.07 0.09 0.00 0.00 178.44 179.00 3jzq h LEU 85 N 0.24 0.00 0.04 1.67 3.38 -0.92 -3.47 115.31 116.25 3jzq h LEU 85 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3jzq h LEU 85 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3jzq h LEU 85 CO 0.00 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.13 3jzq n GLY 86 N 0.34 0.49 3.42 0.83 0.00 -0.14 -4.93 105.19 105.19 3jzq n GLY 86 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3jzq n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jzq s ARG 87 N -1.05 1.24 0.00 1.61 1.70 -1.01 -5.05 118.95 116.39 3jzq s ARG 87 Ca 0.00 -0.82 0.26 0.00 -0.47 0.00 0.00 55.73 54.71 3jzq s ARG 87 Cb 0.00 0.49 0.76 0.00 -0.57 0.00 0.00 34.95 35.63 3jzq s ARG 87 CO 0.00 -0.50 1.58 0.94 -1.08 0.00 0.00 175.30 176.24 3jzq n GLN 88 N -0.29 0.23 -3.80 3.89 7.27 -1.26 -4.37 117.38 119.05 3jzq n GLN 88 Ca -0.12 -0.11 -0.06 0.00 0.07 0.00 0.00 57.00 56.77 3jzq n GLN 88 Cb 0.63 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.77 3jzq n GLN 88 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3jzq s SER 89 N -2.85 -0.25 -0.09 1.69 1.04 -1.26 -0.47 113.70 111.51 3jzq s SER 89 Ca 0.16 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.78 3jzq s SER 89 Cb 0.18 0.64 0.12 0.00 0.10 0.00 0.00 66.02 67.06 3jzq s SER 89 CO 0.61 -1.18 0.99 0.72 0.98 0.00 0.00 173.24 175.36 3jzq s PHE 90 N -3.70 -0.31 -0.13 5.02 -0.12 -0.76 -4.99 117.98 113.00 3jzq s PHE 90 Ca 0.11 0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 57.25 3jzq s PHE 90 Cb -0.04 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3jzq s PHE 90 CO 0.04 -0.41 0.05 0.45 -0.05 0.00 0.00 175.22 175.30 3jzq s SER 91 N -1.97 5.56 0.47 1.98 0.15 -1.26 -0.82 113.70 117.81 3jzq s SER 91 Ca 0.04 0.17 0.32 0.00 0.70 0.00 0.00 55.95 57.18 3jzq s SER 91 Cb -0.01 -1.77 1.42 0.00 -1.71 0.00 0.00 66.02 63.96 3jzq s SER 91 CO -0.05 0.31 1.95 0.58 1.20 0.00 0.00 173.24 177.23 3jzq h VAL 92 N 4.41 0.00 0.00 4.45 2.07 -0.39 -1.68 116.25 125.11 3jzq h VAL 92 Ca -0.46 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3jzq h VAL 92 Cb 1.19 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3jzq h VAL 92 CO 0.61 0.00 -0.08 0.11 0.02 0.00 0.00 177.57 178.22 3jzq h LYS 93 N 0.00 0.00 -2.80 1.57 1.57 -1.94 -3.34 116.57 111.62 3jzq h LYS 93 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3jzq h LYS 93 Cb 0.35 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.26 3jzq h LYS 93 CO 0.00 0.08 -0.78 0.34 -0.57 0.00 0.00 179.45 178.52 3jzq s ASP 94 N -5.94 3.22 0.00 0.86 2.15 -0.63 -4.99 116.67 111.34 3jzq s ASP 94 Ca 0.02 -2.85 0.08 0.00 0.43 0.00 0.00 52.55 50.23 3jzq s ASP 94 Cb 0.09 -0.90 0.50 0.00 -0.30 0.00 0.00 42.92 42.31 3jzq s ASP 94 CO 0.60 -0.22 1.02 -0.81 -0.17 0.00 0.00 175.17 175.58 3jzq n PRO 95 N 3.22 0.62 -0.22 4.34 -0.04 -1.25 -4.37 135.00 137.30 3jzq n PRO 95 Ca 0.16 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 3jzq n PRO 95 Cb 0.38 -1.21 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 3jzq n PRO 95 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3jzq h SER 96 N 0.00 -0.96 -0.65 3.54 0.02 -1.94 -0.09 113.55 113.48 3jzq h SER 96 Ca 0.00 0.22 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3jzq h SER 96 Cb 0.00 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3jzq h SER 96 CO 0.00 -0.28 0.43 -0.65 -1.14 0.00 0.00 176.83 175.20 3jzq h PRO 97 N -0.09 0.49 -0.16 3.45 0.11 -1.96 0.13 132.00 133.96 3jzq h PRO 97 Ca 0.28 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 3jzq h PRO 97 Cb 0.54 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3jzq h PRO 97 CO -0.71 0.32 -0.11 1.25 -0.21 0.00 0.00 178.00 178.54 3jzq h LEU 98 N 0.50 0.37 -0.74 2.35 5.85 -1.37 -2.08 115.31 120.19 3jzq h LEU 98 Ca 0.30 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 3jzq h LEU 98 Cb 0.50 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3jzq h LEU 98 CO -0.09 0.73 -0.60 1.88 -0.34 0.00 0.00 178.44 180.03 3jzq h TYR 99 N 0.00 0.14 -0.44 1.25 0.05 -0.69 -1.33 116.97 115.95 3jzq h TYR 99 Ca 0.03 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 3jzq h TYR 99 Cb 0.61 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 3jzq h TYR 99 CO 0.07 0.68 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.37 3jzq h ASP 100 N 0.08 0.73 -0.46 3.88 3.32 -0.75 -1.41 116.42 121.81 3jzq h ASP 100 Ca -0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3jzq h ASP 100 Cb 1.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3jzq h ASP 100 CO 0.08 0.83 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.35 3jzq h MET 101 N 0.69 0.85 -0.89 3.56 4.05 -0.91 -2.62 114.93 119.66 3jzq h MET 101 Ca 0.13 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 3jzq h MET 101 Cb 0.50 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 3jzq h MET 101 CO 0.03 0.93 0.51 -0.07 0.23 0.00 0.00 176.91 178.53 3jzq h LEU 102 N 0.69 1.09 -1.08 3.39 3.38 -0.95 -0.09 115.31 121.75 3jzq h LEU 102 Ca 0.12 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3jzq h LEU 102 Cb 0.58 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3jzq h LEU 102 CO 0.03 0.85 0.62 -0.09 0.09 0.00 0.00 178.44 179.95 3jzq h ARG 103 N 1.23 1.12 0.00 1.13 2.43 -1.06 -1.06 114.38 118.17 3jzq h ARG 103 Ca 0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3jzq h ARG 103 Cb -0.01 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3jzq h ARG 103 CO -0.06 0.74 -0.54 1.63 -1.51 0.00 0.00 179.97 180.23 3jzq n LYS 104 N -4.47 0.09 0.00 0.20 5.02 -0.72 -4.31 118.16 113.97 3jzq n LYS 104 Ca 0.14 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3jzq n LYS 104 Cb 0.15 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3jzq n LYS 104 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jzq n ASN 105 N -1.67 1.62 -4.28 4.39 3.02 -0.12 -4.96 115.26 113.25 3jzq n ASN 105 Ca 0.05 -1.64 -0.32 0.00 -0.03 0.00 0.00 54.58 52.64 3jzq n ASN 105 Cb 0.37 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.37 3jzq n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jzq s LEU 106 N -0.64 2.22 -0.04 3.41 1.43 -0.44 -0.83 118.68 123.79 3jzq s LEU 106 Ca 0.00 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3jzq s LEU 106 Cb 0.00 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.78 3jzq s LEU 106 CO 0.00 0.21 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 3jzq s VAL 107 N 0.07 1.24 -0.40 -1.59 1.01 -0.23 -4.88 120.40 115.62 3jzq s VAL 107 Ca -0.09 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 3jzq s VAL 107 Cb -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3jzq s VAL 107 CO 0.06 0.37 0.89 0.42 0.00 0.00 0.00 175.10 176.84 3jzq s THR 108 N 0.20 4.59 -0.19 3.92 -4.23 -1.26 -0.50 115.64 118.16 3jzq s THR 108 Ca -0.06 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 61.45 3jzq s THR 108 Cb -0.12 -4.34 0.01 0.00 1.34 0.00 0.00 72.50 69.39 3jzq s THR 108 CO 0.02 -0.60 0.44 0.18 -0.54 0.00 0.00 174.62 174.12 3jzq n LEU 109 N 6.81 0.89 -3.54 4.79 4.77 -1.26 -5.01 117.00 124.45 3jzq n LEU 109 Ca 0.06 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 55.04 3jzq n LEU 109 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3jzq n LEU 109 CO 0.59 0.21 0.66 0.00 -1.33 0.00 0.00 177.39 177.52 3jzq s ALA 110 N -0.39 -1.85 0.00 -1.18 0.00 -1.26 -5.13 121.76 111.95 3jzq s ALA 110 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3jzq s ALA 110 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3jzq s ALA 110 CO 0.03 -0.45 0.49 0.25 0.00 0.00 0.00 175.76 176.08