#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzy n ARG 42 N 0.00 1.61 -0.02 -0.72 0.63 -1.26 -4.80 116.66 112.09 1tzy n ARG 42 Ca 0.00 0.57 0.18 0.00 -0.92 0.00 0.00 57.85 57.68 1tzy n ARG 42 Cb 0.00 -2.12 0.64 0.00 0.45 0.00 0.00 32.46 31.43 1tzy n ARG 42 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1tzy h PRO 43 N 1.92 0.11 -0.01 -0.14 0.11 -2.05 -1.43 132.00 130.51 1tzy h PRO 43 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1tzy h PRO 43 Cb 1.32 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1tzy h PRO 43 CO 0.59 0.07 -0.04 0.78 -0.21 0.00 0.00 178.00 179.19 1tzy h GLY 44 N 0.11 -0.03 1.03 -0.55 0.00 -1.99 -0.65 103.07 100.99 1tzy h GLY 44 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1tzy h GLY 44 CO -0.03 -0.05 0.41 -0.84 0.00 0.00 0.00 176.54 176.03 1tzy h THR 45 N -0.07 1.25 -0.54 4.70 2.02 -1.68 0.13 112.91 118.72 1tzy h THR 45 Ca 0.02 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 1tzy h THR 45 Cb 0.10 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1tzy h THR 45 CO -0.06 0.29 0.14 0.58 0.37 0.00 0.00 175.52 176.85 1tzy h VAL 46 N 1.15 1.24 -0.35 3.16 2.07 -1.15 -1.89 116.25 120.49 1tzy h VAL 46 Ca 0.28 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1tzy h VAL 46 Cb 0.09 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1tzy h VAL 46 CO -0.04 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 1tzy h ALA 47 N 1.02 0.47 -0.74 1.67 0.00 -0.61 -0.91 119.26 120.16 1tzy h ALA 47 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1tzy h ALA 47 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1tzy h ALA 47 CO -0.00 0.24 0.27 -0.07 0.00 0.00 0.00 179.25 179.69 1tzy h LEU 48 N 0.42 1.04 -1.10 0.00 3.38 -0.94 -0.44 115.31 117.69 1tzy h LEU 48 Ca 0.10 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1tzy h LEU 48 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1tzy h LEU 48 CO 0.02 0.95 -0.31 -0.09 0.09 0.00 0.00 178.44 179.10 1tzy h ARG 49 N 1.08 0.24 -0.31 1.13 2.43 -0.93 -2.17 114.38 115.85 1tzy h ARG 49 Ca 0.24 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1tzy h ARG 49 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1tzy h ARG 49 CO -0.02 0.53 -0.12 0.93 -1.51 0.00 0.00 179.97 179.79 1tzy h GLU 50 N 0.21 0.64 -0.28 0.20 5.08 -0.16 -1.94 114.58 118.33 1tzy h GLU 50 Ca 0.03 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1tzy h GLU 50 Cb 0.66 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1tzy h GLU 50 CO 0.05 0.84 0.01 0.82 -1.00 0.00 0.00 179.01 179.73 1tzy h ILE 51 N 0.40 0.82 -0.72 3.13 2.04 -0.93 0.17 117.51 122.42 1tzy h ILE 51 Ca 0.07 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1tzy h ILE 51 Cb 0.63 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1tzy h ILE 51 CO 0.04 0.02 0.48 0.03 0.00 0.00 0.00 178.15 178.71 1tzy h ARG 52 N 0.10 0.95 -0.17 2.37 3.08 -1.31 0.71 114.38 120.12 1tzy h ARG 52 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1tzy h ARG 52 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1tzy h ARG 52 CO -0.21 0.63 0.05 -0.09 -1.07 0.00 0.00 179.97 179.29 1tzy h ARG 53 N 0.98 0.26 0.00 0.04 2.43 -0.67 -2.79 114.38 114.63 1tzy h ARG 53 Ca 0.26 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1tzy h ARG 53 Cb -0.11 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1tzy h ARG 53 CO -0.06 0.37 -0.11 1.88 -1.51 0.00 0.00 179.97 180.54 1tzy h TYR 54 N 0.09 0.00 0.00 2.20 0.05 -0.74 -2.78 116.97 115.79 1tzy h TYR 54 Ca 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1tzy h TYR 54 Cb 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1tzy h TYR 54 CO -0.00 0.11 -0.16 1.96 -1.05 0.00 0.00 178.16 179.02 1tzy h GLN 55 N 0.00 0.00 0.00 4.88 4.20 -0.90 -3.17 115.11 120.12 1tzy h GLN 55 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1tzy h GLN 55 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1tzy h GLN 55 CO 0.01 0.16 -0.83 0.87 -0.67 0.00 0.00 178.83 178.38 1tzy h LYS 56 N 0.00 0.00 -6.68 1.46 1.79 -1.29 -3.47 116.57 108.39 1tzy h LYS 56 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1tzy h LYS 56 Cb 0.84 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 1tzy h LYS 56 CO 0.02 0.21 0.03 0.45 -1.08 0.00 0.00 179.45 179.08 1tzy s SER 57 N -5.91 6.61 0.00 0.86 0.15 -1.07 -5.02 113.70 109.32 1tzy s SER 57 Ca 0.01 1.08 0.05 0.00 0.70 0.00 0.00 55.95 57.79 1tzy s SER 57 Cb 0.08 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1tzy s SER 57 CO 0.76 -0.25 0.42 0.35 1.20 0.00 0.00 173.24 175.73 1tzy n THR 58 N -0.73 0.00 -2.02 6.45 -2.24 -1.26 -4.95 114.28 109.54 1tzy n THR 58 Ca 0.02 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 1tzy n THR 58 Cb 0.53 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.83 1tzy n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1tzy s GLU 59 N -1.01 3.35 0.49 -0.78 -1.05 -1.26 -4.96 118.70 113.48 1tzy s GLU 59 Ca 0.04 1.97 -0.24 0.00 -0.15 0.00 0.00 54.97 56.59 1tzy s GLU 59 Cb 0.04 -2.25 -0.07 0.00 -0.44 0.00 0.00 34.13 31.41 1tzy s GLU 59 CO 0.14 -0.94 1.40 -0.51 0.95 0.00 0.00 175.26 176.31 1tzy s LEU 60 N -3.43 4.01 -0.01 1.83 1.43 -1.26 -4.96 118.68 116.30 1tzy s LEU 60 Ca 0.70 2.86 0.13 0.00 -1.03 0.00 0.00 54.13 56.78 1tzy s LEU 60 Cb -0.34 -4.06 -0.16 0.00 0.03 0.00 0.00 46.19 41.66 1tzy s LEU 60 CO 0.39 -1.33 0.43 0.18 0.23 0.00 0.00 176.35 176.25 1tzy n LEU 61 N -0.51 0.36 -4.86 1.79 4.77 -1.26 -4.91 117.00 112.37 1tzy n LEU 61 Ca 0.07 -0.31 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 1tzy n LEU 61 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1tzy n LEU 61 CO 0.57 0.09 0.06 -0.63 -1.33 0.00 0.00 177.39 176.15 1tzy s ILE 62 N -2.45 5.11 0.26 -0.08 1.01 -1.26 -5.04 121.20 118.75 1tzy s ILE 62 Ca 0.01 0.59 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 1tzy s ILE 62 Cb 0.09 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.79 1tzy s ILE 62 CO 0.52 0.45 1.59 0.54 0.00 0.00 0.00 174.94 178.04 1tzy n ARG 63 N 1.40 2.59 0.11 2.79 1.74 -1.26 -4.93 116.66 119.10 1tzy n ARG 63 Ca -0.12 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 1tzy n ARG 63 Cb 0.53 -2.70 -0.06 0.00 -1.02 0.00 0.00 32.46 29.21 1tzy n ARG 63 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1tzy h LYS 64 N 5.12 -0.38 -0.44 5.56 1.57 -1.96 -2.29 116.57 123.75 1tzy h LYS 64 Ca -0.46 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 1tzy h LYS 64 Cb 1.23 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1tzy h LYS 64 CO 0.82 -0.25 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.14 1tzy h LEU 65 N -0.39 0.97 -0.95 2.94 -0.00 -2.00 -1.49 115.31 114.39 1tzy h LEU 65 Ca 0.02 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1tzy h LEU 65 Cb 0.40 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 1tzy h LEU 65 CO -0.10 1.17 0.60 -0.65 -0.00 0.00 0.00 178.44 179.46 1tzy h PRO 66 N 0.77 1.27 -0.38 1.13 0.11 -1.97 -0.81 132.00 132.11 1tzy h PRO 66 Ca 0.09 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1tzy h PRO 66 Cb 0.81 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1tzy h PRO 66 CO 0.07 0.86 0.23 0.35 -0.21 0.00 0.00 178.00 179.30 1tzy h PHE 67 N 1.30 0.42 -0.76 0.65 3.04 -1.17 -1.75 116.94 118.67 1tzy h PHE 67 Ca 0.34 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.34 1tzy h PHE 67 Cb -0.10 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.22 1tzy h PHE 67 CO 0.00 0.25 0.48 0.37 -2.02 0.00 0.00 178.31 177.39 1tzy h GLN 68 N 0.46 0.89 -0.17 1.11 4.15 -1.00 -0.38 115.11 120.17 1tzy h GLN 68 Ca 0.15 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1tzy h GLN 68 Cb -0.00 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1tzy h GLN 68 CO -0.06 0.59 -0.21 0.00 -1.93 0.00 0.00 178.83 177.22 1tzy h ARG 69 N 0.92 0.30 -0.03 1.69 3.08 -0.92 -0.64 114.38 118.77 1tzy h ARG 69 Ca 0.31 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1tzy h ARG 69 Cb 0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1tzy h ARG 69 CO -0.12 0.50 -0.05 1.25 -1.07 0.00 0.00 179.97 180.48 1tzy h LEU 70 N 0.27 0.09 -0.66 3.04 5.85 -0.35 -1.99 115.31 121.56 1tzy h LEU 70 Ca 0.05 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.29 1tzy h LEU 70 Cb 0.52 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1tzy h LEU 70 CO 0.03 0.62 0.34 0.58 -0.34 0.00 0.00 178.44 179.67 1tzy h VAL 71 N -0.44 0.90 -0.79 1.05 2.07 -0.86 -2.00 116.25 116.17 1tzy h VAL 71 Ca 0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1tzy h VAL 71 Cb 0.60 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1tzy h VAL 71 CO 0.01 0.11 0.34 -0.09 0.02 0.00 0.00 177.57 177.96 1tzy h ARG 72 N 0.60 1.18 -0.53 1.57 2.43 -1.08 0.20 114.38 118.74 1tzy h ARG 72 Ca 0.31 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1tzy h ARG 72 Cb 0.27 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1tzy h ARG 72 CO -0.23 0.94 0.19 1.49 -1.51 0.00 0.00 179.97 180.85 1tzy h GLU 73 N 1.15 0.81 -0.25 0.20 4.81 -0.95 -1.58 114.58 118.77 1tzy h GLU 73 Ca 0.27 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1tzy h GLU 73 Cb 0.19 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1tzy h GLU 73 CO -0.03 0.73 -0.10 0.82 -0.73 0.00 0.00 179.01 179.70 1tzy h ILE 74 N 0.73 1.30 -0.74 2.32 2.04 -0.85 -2.76 117.51 119.54 1tzy h ILE 74 Ca 0.17 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.96 1tzy h ILE 74 Cb 0.24 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1tzy h ILE 74 CO -0.01 0.36 0.49 0.00 0.00 0.00 0.00 178.15 178.99 1tzy h ALA 75 N 0.74 1.78 0.00 1.87 0.00 -0.87 -2.85 119.26 119.93 1tzy h ALA 75 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1tzy h ALA 75 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tzy h ALA 75 CO 0.03 0.08 -0.50 0.37 0.00 0.00 0.00 179.25 179.23 1tzy h GLN 76 N 0.69 0.00 0.00 0.00 5.75 -1.01 -1.15 115.11 119.39 1tzy h GLN 76 Ca 0.33 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1tzy h GLN 76 Cb 0.40 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1tzy h GLN 76 CO -0.12 0.50 -0.05 -0.44 -2.65 0.00 0.00 178.83 176.06 1tzy h ASP 77 N 0.00 0.00 0.09 -0.69 5.19 -1.27 -3.22 116.42 116.52 1tzy h ASP 77 Ca -0.00 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.04 1tzy h ASP 77 Cb 0.89 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1tzy h ASP 77 CO 0.06 0.05 -2.05 0.49 -3.12 0.00 0.00 179.24 174.68 1tzy n PHE 78 N -3.59 1.00 -3.64 4.55 3.72 -0.74 -4.99 117.46 113.78 1tzy n PHE 78 Ca -0.02 0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.55 1tzy n PHE 78 Cb 0.16 -1.13 -0.06 0.00 -0.94 0.00 0.00 39.48 37.51 1tzy n PHE 78 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1tzy s LYS 79 N -2.54 0.64 0.76 -1.08 2.36 -0.51 -5.15 119.74 114.23 1tzy s LYS 79 Ca -0.25 1.25 -0.12 0.00 -2.55 0.00 0.00 55.97 54.30 1tzy s LYS 79 Cb 0.07 0.35 0.05 0.00 -1.05 0.00 0.00 37.83 37.25 1tzy s LYS 79 CO 0.72 -0.16 1.10 0.95 1.55 0.00 0.00 175.35 179.52 1tzy s THR 80 N 2.00 3.17 -0.33 3.43 -4.23 -1.25 -3.74 115.64 114.68 1tzy s THR 80 Ca -0.09 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1tzy s THR 80 Cb -0.07 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1tzy s THR 80 CO -0.19 -0.49 0.00 -0.67 -0.54 0.00 0.00 174.62 172.72 1tzy n ASP 81 N -3.23 -4.99 -4.79 3.99 4.64 -1.26 -4.98 116.55 105.93 1tzy n ASP 81 Ca 0.07 0.08 -0.36 0.00 -1.38 0.00 0.00 54.79 53.19 1tzy n ASP 81 Cb 0.57 -2.76 -0.06 0.00 -1.04 0.00 0.00 41.12 37.82 1tzy n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1tzy s LEU 82 N -0.71 4.28 0.10 -2.67 1.43 -1.24 -5.08 118.68 114.78 1tzy s LEU 82 Ca 0.00 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1tzy s LEU 82 Cb 0.00 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1tzy s LEU 82 CO 0.00 -0.11 -0.18 -0.13 0.23 0.00 0.00 176.35 176.16 1tzy s ARG 83 N -2.22 1.03 -0.15 1.70 3.00 -1.26 -4.98 118.95 116.06 1tzy s ARG 83 Ca 0.52 -1.12 -0.06 0.00 0.00 0.00 0.00 55.73 55.07 1tzy s ARG 83 Cb -0.17 -1.17 -0.04 0.00 0.00 0.00 0.00 34.95 33.57 1tzy s ARG 83 CO 0.22 0.26 0.07 -0.06 0.00 0.00 0.00 175.30 175.79 1tzy s PHE 84 N -1.32 3.31 0.58 -0.53 0.40 -1.26 -5.10 117.98 114.06 1tzy s PHE 84 Ca 0.04 0.21 -0.19 0.00 -0.60 0.00 0.00 56.93 56.39 1tzy s PHE 84 Cb -0.09 -1.98 -0.06 0.00 0.51 0.00 0.00 43.02 41.40 1tzy s PHE 84 CO 0.04 0.36 0.98 1.04 0.70 0.00 0.00 175.22 178.34 1tzy n GLN 85 N 2.87 0.98 0.01 0.44 6.02 -1.26 -4.91 117.38 121.53 1tzy n GLN 85 Ca -0.18 0.38 -0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1tzy n GLN 85 Cb 0.53 -2.16 0.28 0.00 1.02 0.00 0.00 30.24 29.91 1tzy n GLN 85 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1tzy h SER 86 N 0.66 0.47 0.80 1.08 4.64 -2.00 -1.58 113.55 117.62 1tzy h SER 86 Ca -0.48 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.67 1tzy h SER 86 Cb 1.36 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1tzy h SER 86 CO 0.52 0.59 -0.31 0.77 -0.87 0.00 0.00 176.83 177.53 1tzy h SER 87 N 0.47 0.00 -0.61 4.97 4.64 -1.99 -1.94 113.55 119.09 1tzy h SER 87 Ca 0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1tzy h SER 87 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1tzy h SER 87 CO 0.02 0.31 0.15 0.00 -0.87 0.00 0.00 176.83 176.44 1tzy h ALA 88 N 1.69 0.80 -0.53 5.18 0.00 -1.66 -0.31 119.26 124.42 1tzy h ALA 88 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1tzy h ALA 88 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1tzy h ALA 88 CO 0.04 0.51 -0.08 0.28 0.00 0.00 0.00 179.25 180.00 1tzy h VAL 89 N 0.88 1.26 -0.30 0.00 2.07 -1.15 -2.12 116.25 116.89 1tzy h VAL 89 Ca 0.19 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.37 1tzy h VAL 89 Cb 0.35 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1tzy h VAL 89 CO 0.00 0.43 -0.36 0.24 0.02 0.00 0.00 177.57 177.90 1tzy h MET 90 N 0.87 0.68 -0.37 1.57 2.86 -1.14 -1.11 114.93 118.31 1tzy h MET 90 Ca 0.14 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1tzy h MET 90 Cb 0.62 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1tzy h MET 90 CO 0.04 0.94 0.20 0.00 1.06 0.00 0.00 176.91 179.15 1tzy h ALA 91 N 1.03 0.45 -0.68 6.32 0.00 -0.88 -0.44 119.26 125.06 1tzy h ALA 91 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1tzy h ALA 91 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1tzy h ALA 91 CO 0.08 -0.16 0.36 -0.07 0.00 0.00 0.00 179.25 179.46 1tzy h LEU 92 N 0.40 0.85 -0.12 0.00 3.38 -1.12 -0.40 115.31 118.30 1tzy h LEU 92 Ca 0.15 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1tzy h LEU 92 Cb 0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1tzy h LEU 92 CO -0.09 0.69 -0.18 -0.61 0.09 0.00 0.00 178.44 178.34 1tzy h GLN 93 N 0.95 0.34 -0.73 1.13 4.15 -0.68 -0.56 115.11 119.71 1tzy h GLN 93 Ca 0.24 -0.20 0.08 0.00 0.77 0.00 0.00 58.65 59.54 1tzy h GLN 93 Cb 0.04 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.69 1tzy h GLN 93 CO -0.04 0.78 0.40 0.93 -1.93 0.00 0.00 178.83 178.97 1tzy h GLU 94 N -0.07 0.68 -0.35 1.69 4.39 -0.94 -0.55 114.58 119.43 1tzy h GLU 94 Ca 0.01 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1tzy h GLU 94 Cb 0.74 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1tzy h GLU 94 CO 0.04 0.45 -0.02 0.00 -1.16 0.00 0.00 179.01 178.32 1tzy h ALA 95 N 1.41 0.48 -0.47 3.43 0.00 -1.00 -2.06 119.26 121.04 1tzy h ALA 95 Ca 0.34 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1tzy h ALA 95 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1tzy h ALA 95 CO -0.23 0.27 -0.02 0.77 0.00 0.00 0.00 179.25 180.04 1tzy h SER 96 N 0.45 0.84 -0.38 0.00 0.02 -0.83 -0.57 113.55 113.07 1tzy h SER 96 Ca 0.10 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 1tzy h SER 96 Cb 0.49 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1tzy h SER 96 CO 0.02 0.95 -0.31 -0.33 -1.14 0.00 0.00 176.83 176.03 1tzy h GLU 97 N 0.70 0.89 -0.80 3.45 5.08 -1.13 -0.87 114.58 121.89 1tzy h GLU 97 Ca 0.13 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1tzy h GLU 97 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1tzy h GLU 97 CO 0.03 1.09 0.50 0.00 -1.00 0.00 0.00 179.01 179.63 1tzy h ALA 98 N 0.78 1.01 -0.19 3.43 0.00 -1.22 0.36 119.26 123.43 1tzy h ALA 98 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1tzy h ALA 98 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1tzy h ALA 98 CO 0.08 0.46 0.02 -0.92 0.00 0.00 0.00 179.25 178.89 1tzy h TYR 99 N 1.09 0.35 -0.58 0.00 3.20 -0.82 -1.84 116.97 118.38 1tzy h TYR 99 Ca 0.29 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1tzy h TYR 99 Cb -0.08 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1tzy h TYR 99 CO -0.01 0.50 0.02 -0.07 -1.64 0.00 0.00 178.16 176.95 1tzy h LEU 100 N 0.11 0.99 -0.60 2.82 3.38 -0.70 -0.71 115.31 120.59 1tzy h LEU 100 Ca 0.06 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1tzy h LEU 100 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1tzy h LEU 100 CO 0.01 1.04 0.24 -0.37 0.09 0.00 0.00 178.44 179.45 1tzy h VAL 101 N 0.90 1.23 -0.99 1.22 -1.51 -0.79 -0.13 116.25 116.19 1tzy h VAL 101 Ca 0.17 -0.72 0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1tzy h VAL 101 Cb 0.53 0.58 -0.05 0.00 -2.13 0.00 0.00 31.29 30.21 1tzy h VAL 101 CO 0.03 0.28 0.65 1.23 -1.23 0.00 0.00 177.57 178.53 1tzy h GLY 102 N 0.84 1.42 1.34 5.19 0.00 -1.07 -1.04 103.07 109.74 1tzy h GLY 102 Ca 0.20 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1tzy h GLY 102 CO -0.02 0.45 -0.05 -2.00 0.00 0.00 0.00 176.54 174.93 1tzy h LEU 103 N 1.28 0.78 -0.77 3.11 5.85 -0.69 -2.60 115.31 122.26 1tzy h LEU 103 Ca 0.38 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 1tzy h LEU 103 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1tzy h LEU 103 CO -0.11 0.87 -0.36 -0.26 -0.34 0.00 0.00 178.44 178.24 1tzy h PHE 104 N 0.74 0.59 -0.08 1.25 0.04 -0.24 -1.00 116.94 118.24 1tzy h PHE 104 Ca 0.13 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1tzy h PHE 104 Cb 0.52 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 1tzy h PHE 104 CO 0.03 0.80 -0.14 0.93 -0.60 0.00 0.00 178.31 179.33 1tzy h GLU 105 N 0.43 -0.18 -0.60 1.51 5.08 -0.91 0.11 114.58 120.01 1tzy h GLU 105 Ca 0.04 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1tzy h GLU 105 Cb 0.83 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1tzy h GLU 105 CO 0.07 -0.12 0.01 -0.44 -1.00 0.00 0.00 179.01 177.53 1tzy h ASP 106 N -0.19 1.03 -0.62 1.42 3.32 -1.20 -1.83 116.42 118.35 1tzy h ASP 106 Ca 0.08 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 56.88 1tzy h ASP 106 Cb 0.30 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1tzy h ASP 106 CO -0.20 1.08 0.33 0.74 -1.72 0.00 0.00 179.24 179.48 1tzy h THR 107 N 0.95 0.95 -0.52 0.35 2.02 -1.00 -1.63 112.91 114.03 1tzy h THR 107 Ca 0.17 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1tzy h THR 107 Cb 0.55 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1tzy h THR 107 CO 0.03 0.11 0.32 -1.13 0.37 0.00 0.00 175.52 175.22 1tzy h ASN 108 N 0.62 0.52 -0.36 4.18 -0.00 -0.40 -1.23 115.58 118.91 1tzy h ASN 108 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.57 1tzy h ASN 108 Cb 0.18 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 1tzy h ASN 108 CO -0.18 0.37 0.19 -0.07 -0.00 0.00 0.00 177.43 177.73 1tzy h LEU 109 N 0.63 0.49 -0.60 0.34 3.38 -0.71 -1.38 115.31 117.46 1tzy h LEU 109 Ca 0.21 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1tzy h LEU 109 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1tzy h LEU 109 CO -0.09 0.42 -0.56 0.00 0.09 0.00 0.00 178.44 178.31 1tzy h ALA 111 N 1.09 0.26 -0.75 0.00 0.00 -0.62 -2.88 119.26 116.37 1tzy h ALA 111 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1tzy h ALA 111 Cb 1.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1tzy h ALA 111 CO 0.10 0.03 0.44 0.82 0.00 0.00 0.00 179.25 180.64 1tzy h ILE 112 N 0.09 1.21 -0.50 0.00 2.04 -1.20 -1.17 117.51 117.98 1tzy h ILE 112 Ca 0.05 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1tzy h ILE 112 Cb 0.48 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1tzy h ILE 112 CO 0.02 0.23 0.33 -0.74 0.00 0.00 0.00 178.15 177.98 1tzy h HIS 113 N 1.03 0.59 -0.35 1.37 2.76 -1.13 0.75 115.15 120.17 1tzy h HIS 113 Ca 0.27 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1tzy h HIS 113 Cb -0.02 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.74 1tzy h HIS 113 CO 0.00 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 177.00 1tzy n ALA 114 N -2.47 2.75 -3.08 5.26 0.00 -0.80 -4.93 120.51 117.24 1tzy n ALA 114 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 1tzy n ALA 114 Cb 0.09 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1tzy n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tzy n LYS 115 N 0.50 -5.12 -4.39 0.00 5.02 0.26 -5.01 118.16 109.42 1tzy n LYS 115 Ca 0.13 0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 56.96 1tzy n LYS 115 Cb 0.49 -5.43 -0.09 0.00 -0.02 0.00 0.00 35.03 29.97 1tzy n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1tzy s ARG 116 N -5.73 1.97 -0.00 1.97 0.52 -0.51 -5.01 118.95 112.16 1tzy s ARG 116 Ca 0.34 -1.64 0.06 0.00 -0.52 0.00 0.00 55.73 53.96 1tzy s ARG 116 Cb -0.15 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 1tzy s ARG 116 CO 0.42 0.31 0.22 1.55 0.02 0.00 0.00 175.30 177.82 1tzy n VAL 117 N -0.78 0.00 -3.62 3.52 3.14 -1.26 -3.16 118.33 116.17 1tzy n VAL 117 Ca -0.05 -0.33 -0.37 0.00 -2.96 0.00 0.00 64.34 60.62 1tzy n VAL 117 Cb 0.60 0.90 -0.11 0.00 -1.06 0.00 0.00 33.84 34.17 1tzy n VAL 117 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1tzy s THR 118 N -1.67 5.28 0.31 1.55 2.01 -1.26 -5.00 115.64 116.87 1tzy s THR 118 Ca 0.01 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1tzy s THR 118 Cb 0.04 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1tzy s THR 118 CO 0.23 0.28 1.05 0.27 -0.69 0.00 0.00 174.62 175.76 1tzy s ILE 119 N 1.55 3.70 0.19 1.82 -4.36 -1.26 -4.90 121.20 117.94 1tzy s ILE 119 Ca 0.07 1.56 0.06 0.00 -0.26 0.00 0.00 60.65 62.08 1tzy s ILE 119 Cb -0.15 -3.94 -0.05 0.00 1.25 0.00 0.00 42.46 39.58 1tzy s ILE 119 CO 0.09 0.26 -0.10 -0.04 0.24 0.00 0.00 174.94 175.39 1tzy s MET 120 N -1.76 1.24 0.28 0.37 -1.94 -1.26 -5.04 119.30 111.18 1tzy s MET 120 Ca 0.48 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 52.91 1tzy s MET 120 Cb -0.27 -0.84 0.63 0.00 2.01 0.00 0.00 34.83 36.36 1tzy s MET 120 CO 0.34 0.08 1.71 -1.35 -0.01 0.00 0.00 175.02 175.80 1tzy h PRO 121 N 2.61 0.43 -0.27 2.03 0.11 -2.00 -0.44 132.00 134.47 1tzy h PRO 121 Ca -0.38 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.79 1tzy h PRO 121 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1tzy h PRO 121 CO 0.63 0.29 0.23 1.57 -0.21 0.00 0.00 178.00 180.51 1tzy h LYS 122 N 0.45 0.00 -0.11 1.05 2.10 -1.99 -1.39 116.57 116.68 1tzy h LYS 122 Ca 0.51 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.11 1tzy h LYS 122 Cb 0.89 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1tzy h LYS 122 CO -0.48 0.00 -0.14 -0.44 -2.00 0.00 0.00 179.45 176.40 1tzy h ASP 123 N 0.00 0.32 -0.67 7.07 3.32 -1.42 -1.12 116.42 123.92 1tzy h ASP 123 Ca 0.13 -0.51 0.08 0.00 0.02 0.00 0.00 57.03 56.75 1tzy h ASP 123 Cb 0.58 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 1tzy h ASP 123 CO -0.00 0.76 0.33 0.40 -1.72 0.00 0.00 179.24 179.01 1tzy h ILE 124 N -0.12 0.88 -0.35 0.35 2.04 -1.26 -2.16 117.51 116.89 1tzy h ILE 124 Ca 0.01 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 1tzy h ILE 124 Cb 0.68 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1tzy h ILE 124 CO 0.03 0.11 -0.29 1.56 0.00 0.00 0.00 178.15 179.56 1tzy h GLN 125 N 0.59 0.81 -0.17 2.37 4.20 -1.17 0.00 115.11 121.75 1tzy h GLN 125 Ca 0.32 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1tzy h GLN 125 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1tzy h GLN 125 CO -0.24 1.04 0.09 1.25 -0.67 0.00 0.00 178.83 180.30 1tzy h LEU 126 N 0.60 0.14 -0.26 1.46 5.85 -1.16 -1.22 115.31 120.72 1tzy h LEU 126 Ca 0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1tzy h LEU 126 Cb 0.87 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1tzy h LEU 126 CO 0.08 0.10 0.14 0.00 -0.34 0.00 0.00 178.44 178.42 1tzy h ALA 127 N 1.08 0.32 -0.20 1.25 0.00 -1.17 -1.45 119.26 119.09 1tzy h ALA 127 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1tzy h ALA 127 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tzy h ALA 127 CO -0.04 -0.25 -0.37 0.00 0.00 0.00 0.00 179.25 178.59 1tzy h ARG 128 N 0.29 0.45 -0.13 0.00 3.08 -0.89 -0.65 114.38 116.54 1tzy h ARG 128 Ca 0.10 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1tzy h ARG 128 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1tzy h ARG 128 CO -0.06 0.76 0.09 -0.09 -1.07 0.00 0.00 179.97 179.59 1tzy h ARG 129 N 0.38 0.17 -0.23 0.04 9.65 -0.89 0.77 114.38 124.26 1tzy h ARG 129 Ca 0.04 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.81 1tzy h ARG 129 Cb 0.83 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1tzy h ARG 129 CO 0.07 0.11 -0.29 0.82 2.80 0.00 0.00 179.97 183.49 1tzy h ILE 130 N 0.17 1.27 0.00 1.20 2.04 -1.12 -2.39 117.51 118.69 1tzy h ILE 130 Ca 0.05 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1tzy h ILE 130 Cb -0.02 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1tzy h ILE 130 CO -0.01 0.42 0.00 0.03 0.00 0.00 0.00 178.15 178.59 1tzy h ARG 131 N 0.40 0.00 0.00 2.37 3.08 -1.07 -3.47 114.38 115.69 1tzy h ARG 131 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1tzy h ARG 131 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1tzy h ARG 131 CO 0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1tzy n GLY 132 N -0.47 0.54 0.17 0.04 0.00 -0.80 -4.93 105.19 99.75 1tzy n GLY 132 Ca -0.01 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1tzy n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tzy h GLU 133 N 0.57 0.00 -3.55 1.61 5.08 -1.10 -3.44 114.58 113.75 1tzy h GLU 133 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1tzy h GLU 133 Cb 0.00 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 28.88 1tzy h GLU 133 CO 0.00 0.22 -0.75 -0.98 -1.00 0.00 0.00 179.01 176.49 1tzy s ARG 134 N -3.11 0.26 0.00 2.33 1.04 -1.16 -5.01 118.95 113.30 1tzy s ARG 134 Ca 0.05 0.21 0.03 0.00 -1.04 0.00 0.00 55.73 54.97 1tzy s ARG 134 Cb 0.07 -0.67 0.02 0.00 -2.04 0.00 0.00 34.95 32.33 1tzy s ARG 134 CO 0.72 -0.27 0.59 0.00 -0.04 0.00 0.00 175.30 176.30