#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzy s HIS 39 N 0.00 1.64 -0.40 0.54 2.46 -1.26 -5.04 115.29 113.22 1tzy s HIS 39 Ca 0.00 1.64 0.02 0.00 0.47 0.00 0.00 55.06 57.18 1tzy s HIS 39 Cb 0.00 -3.27 0.15 0.00 -0.13 0.00 0.00 32.58 29.33 1tzy s HIS 39 CO 0.00 -2.97 0.25 1.03 -2.47 0.00 0.00 174.74 170.58 1tzy s ARG 40 N -4.63 0.89 0.00 2.88 1.81 -1.26 -4.99 118.95 113.64 1tzy s ARG 40 Ca 0.67 -1.74 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 1tzy s ARG 40 Cb -0.23 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.59 1tzy s ARG 40 CO 0.59 -1.23 0.00 0.66 -0.68 0.00 0.00 175.30 174.64 1tzy n TYR 41 N 3.60 0.00 -0.45 -0.53 4.02 -1.26 -5.08 117.16 117.46 1tzy n TYR 41 Ca 0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.76 1tzy n TYR 41 Cb 0.38 -0.10 0.23 0.00 -0.02 0.00 0.00 39.34 39.83 1tzy n TYR 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1tzy n ARG 42 N -2.62 -3.03 -0.23 -0.72 1.74 -1.26 -4.75 116.66 105.78 1tzy n ARG 42 Ca 0.00 -0.88 0.22 0.00 -0.77 0.00 0.00 57.85 56.42 1tzy n ARG 42 Cb 0.00 -1.84 0.57 0.00 -1.02 0.00 0.00 32.46 30.17 1tzy n ARG 42 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1tzy h PRO 43 N -2.87 0.29 -0.56 5.56 0.11 -1.99 -2.70 132.00 129.84 1tzy h PRO 43 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1tzy h PRO 43 Cb 1.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1tzy h PRO 43 CO 0.32 0.19 0.30 0.78 -0.21 0.00 0.00 178.00 179.38 1tzy h GLY 44 N 0.30 0.84 1.39 -0.55 0.00 -1.99 -1.41 103.07 101.66 1tzy h GLY 44 Ca 0.47 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1tzy h GLY 44 CO -0.15 0.37 -0.39 -0.84 0.00 0.00 0.00 176.54 175.54 1tzy h THR 45 N 0.75 1.29 -0.11 4.70 2.02 -1.82 -1.06 112.91 118.68 1tzy h THR 45 Ca 0.20 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 1tzy h THR 45 Cb 0.06 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1tzy h THR 45 CO -0.03 0.50 0.00 0.58 0.37 0.00 0.00 175.52 176.94 1tzy h VAL 46 N 0.55 1.25 -0.52 3.16 2.07 -1.50 -2.12 116.25 119.14 1tzy h VAL 46 Ca 0.05 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.85 1tzy h VAL 46 Cb 0.91 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 1tzy h VAL 46 CO 0.08 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.09 1tzy h ALA 47 N 0.75 0.64 -0.48 1.67 0.00 -1.12 -0.71 119.26 120.01 1tzy h ALA 47 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1tzy h ALA 47 Cb 0.35 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1tzy h ALA 47 CO 0.01 -0.20 0.11 -0.07 0.00 0.00 0.00 179.25 179.09 1tzy h LEU 48 N 0.38 0.68 -0.75 0.00 3.38 -1.20 0.49 115.31 118.29 1tzy h LEU 48 Ca 0.25 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1tzy h LEU 48 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1tzy h LEU 48 CO -0.24 0.68 -0.37 0.03 0.09 0.00 0.00 178.44 178.62 1tzy h ARG 49 N 0.71 0.52 -0.42 1.13 3.08 -0.66 -2.07 114.38 116.66 1tzy h ARG 49 Ca 0.16 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1tzy h ARG 49 Cb 0.28 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1tzy h ARG 49 CO -0.00 0.82 0.15 0.93 -1.07 0.00 0.00 179.97 180.80 1tzy h GLU 50 N 0.44 0.65 -0.17 0.04 5.08 -0.33 -0.66 114.58 119.62 1tzy h GLU 50 Ca 0.04 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1tzy h GLU 50 Cb 0.85 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1tzy h GLU 50 CO 0.07 0.62 -0.09 0.82 -1.00 0.00 0.00 179.01 179.43 1tzy h ILE 51 N 0.54 0.72 -0.68 3.13 2.04 -0.83 -0.74 117.51 121.70 1tzy h ILE 51 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1tzy h ILE 51 Cb 0.23 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1tzy h ILE 51 CO -0.01 0.00 0.40 0.03 0.00 0.00 0.00 178.15 178.57 1tzy h ARG 52 N -0.07 0.74 -0.03 2.37 3.08 -1.21 0.02 114.38 119.28 1tzy h ARG 52 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1tzy h ARG 52 Cb 0.21 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1tzy h ARG 52 CO -0.22 0.49 0.02 -0.09 -1.07 0.00 0.00 179.97 179.10 1tzy h ARG 53 N 0.76 0.05 0.00 0.04 2.43 -0.67 -2.30 114.38 114.69 1tzy h ARG 53 Ca 0.29 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1tzy h ARG 53 Cb 0.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1tzy h ARG 53 CO -0.14 0.13 -0.19 1.88 -1.51 0.00 0.00 179.97 180.14 1tzy h TYR 54 N -0.04 0.00 0.00 2.20 0.05 -0.95 -2.69 116.97 115.54 1tzy h TYR 54 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1tzy h TYR 54 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1tzy h TYR 54 CO -0.04 0.19 -0.32 1.96 -1.05 0.00 0.00 178.16 178.89 1tzy h GLN 55 N 0.00 0.00 0.07 4.88 4.20 -0.91 -3.22 115.11 120.13 1tzy h GLN 55 Ca -0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1tzy h GLN 55 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1tzy h GLN 55 CO 0.02 0.00 -1.20 -0.22 -0.67 0.00 0.00 178.83 176.76 1tzy h LYS 56 N 0.00 0.14 -6.56 1.46 3.64 -1.10 -3.47 116.57 110.68 1tzy h LYS 56 Ca 0.00 -0.24 -0.44 0.00 -1.27 0.00 0.00 60.65 58.71 1tzy h LYS 56 Cb 0.91 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1tzy h LYS 56 CO 0.00 1.07 -0.19 -1.54 -2.27 0.00 0.00 179.45 176.52 1tzy s SER 57 N -6.88 5.69 0.00 4.20 1.04 -1.06 -5.03 113.70 111.65 1tzy s SER 57 Ca -0.02 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1tzy s SER 57 Cb 0.08 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1tzy s SER 57 CO 0.85 -0.75 0.23 0.35 0.98 0.00 0.00 173.24 174.90 1tzy n THR 58 N -1.96 0.00 -1.87 2.02 -2.24 -1.26 -4.95 114.28 104.01 1tzy n THR 58 Ca 0.04 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 1tzy n THR 58 Cb 0.59 1.13 0.05 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.32 2.76 0.53 -0.78 -1.05 -1.26 -4.97 118.70 113.61 1tzy s GLU 59 Ca 0.00 1.93 -0.21 0.00 -0.15 0.00 0.00 54.97 56.54 1tzy s GLU 59 Cb 0.00 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.75 1tzy s GLU 59 CO 0.00 -1.40 1.22 -0.51 0.95 0.00 0.00 175.26 175.52 1tzy s LEU 60 N -4.24 3.84 -0.00 1.83 1.43 -1.26 -4.96 118.68 115.32 1tzy s LEU 60 Ca 0.80 2.43 0.11 0.00 -1.03 0.00 0.00 54.13 56.43 1tzy s LEU 60 Cb -0.34 -4.40 -0.12 0.00 0.03 0.00 0.00 46.19 41.36 1tzy s LEU 60 CO 0.36 -1.32 0.42 0.18 0.23 0.00 0.00 176.35 176.23 1tzy n LEU 61 N -1.05 0.44 -4.85 1.79 4.77 -1.26 -4.91 117.00 111.93 1tzy n LEU 61 Ca 0.10 -0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 55.27 1tzy n LEU 61 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1tzy n LEU 61 CO 0.47 0.11 0.04 -0.63 -1.33 0.00 0.00 177.39 176.05 1tzy s ILE 62 N -2.09 5.14 0.29 -0.08 1.01 -1.26 -5.04 121.20 119.16 1tzy s ILE 62 Ca 0.03 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 1tzy s ILE 62 Cb 0.08 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 1tzy s ILE 62 CO 0.44 0.58 1.56 -0.13 0.00 0.00 0.00 174.94 177.39 1tzy s ARG 63 N -1.08 4.15 0.16 2.79 0.52 -1.26 -4.92 118.95 119.31 1tzy s ARG 63 Ca 0.22 2.53 -0.13 0.00 -0.52 0.00 0.00 55.73 57.82 1tzy s ARG 63 Cb -0.16 -3.04 0.06 0.00 0.52 0.00 0.00 34.95 32.34 1tzy s ARG 63 CO 0.11 -0.59 1.74 0.87 0.02 0.00 0.00 175.30 177.45 1tzy h LYS 64 N 4.81 0.81 -0.14 3.54 1.57 -1.96 -2.25 116.57 122.94 1tzy h LYS 64 Ca -0.47 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.13 1tzy h LYS 64 Cb 1.22 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1tzy h LYS 64 CO 0.78 0.68 -0.10 1.25 -0.57 0.00 0.00 179.45 181.49 1tzy h LEU 65 N 0.75 0.33 -0.84 2.94 5.85 -1.99 0.35 115.31 122.70 1tzy h LEU 65 Ca 0.19 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.57 1tzy h LEU 65 Cb 0.15 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1tzy h LEU 65 CO -0.02 0.70 0.47 -0.65 -0.34 0.00 0.00 178.44 178.60 1tzy h PRO 66 N -0.04 0.74 -0.03 5.25 0.11 -1.96 -0.69 132.00 135.38 1tzy h PRO 66 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1tzy h PRO 66 Cb 0.59 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1tzy h PRO 66 CO 0.03 0.49 0.02 0.35 -0.21 0.00 0.00 178.00 178.68 1tzy h PHE 67 N 0.77 0.05 -0.86 0.65 3.04 -1.16 -1.39 116.94 118.03 1tzy h PHE 67 Ca 0.41 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.49 1tzy h PHE 67 Cb 0.43 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 38.84 1tzy h PHE 67 CO -0.06 0.08 0.48 0.37 -2.02 0.00 0.00 178.31 177.16 1tzy h GLN 68 N -0.00 0.73 -0.14 1.11 4.15 -0.48 -0.78 115.11 119.70 1tzy h GLN 68 Ca 0.01 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 1tzy h GLN 68 Cb 0.05 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1tzy h GLN 68 CO -0.00 0.48 -0.38 0.00 -1.93 0.00 0.00 178.83 177.00 1tzy h ARG 69 N 0.75 0.29 -0.24 1.69 2.47 -0.67 -0.76 114.38 117.92 1tzy h ARG 69 Ca 0.44 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 1tzy h ARG 69 Cb 0.51 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1tzy h ARG 69 CO -0.30 0.64 0.05 1.25 0.56 0.00 0.00 179.97 182.17 1tzy h LEU 70 N 0.25 0.36 -0.06 3.04 5.85 -0.08 -0.77 115.31 123.90 1tzy h LEU 70 Ca 0.03 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1tzy h LEU 70 Cb 0.79 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1tzy h LEU 70 CO 0.06 0.51 -0.11 0.58 -0.34 0.00 0.00 178.44 179.15 1tzy h VAL 71 N 0.20 0.72 -0.85 1.05 2.07 -1.06 -1.14 116.25 117.24 1tzy h VAL 71 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1tzy h VAL 71 Cb 0.29 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1tzy h VAL 71 CO 0.00 0.00 0.42 0.03 0.02 0.00 0.00 177.57 178.04 1tzy h ARG 72 N -0.15 1.22 -0.47 1.57 3.08 -1.08 -1.05 114.38 117.49 1tzy h ARG 72 Ca 0.06 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1tzy h ARG 72 Cb 0.23 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1tzy h ARG 72 CO -0.15 0.93 0.30 1.49 -1.07 0.00 0.00 179.97 181.46 1tzy h GLU 73 N 1.20 0.58 -0.19 0.04 4.81 -0.70 -1.69 114.58 118.64 1tzy h GLU 73 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1tzy h GLU 73 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1tzy h GLU 73 CO -0.04 0.38 0.07 0.82 -0.73 0.00 0.00 179.01 179.52 1tzy h ILE 74 N 0.60 1.17 0.00 2.32 2.04 -0.89 -2.51 117.51 120.24 1tzy h ILE 74 Ca 0.18 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1tzy h ILE 74 Cb -0.03 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1tzy h ILE 74 CO -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1tzy h ALA 75 N 0.90 1.97 -0.04 1.87 0.00 -1.01 -2.60 119.26 120.35 1tzy h ALA 75 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1tzy h ALA 75 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1tzy h ALA 75 CO -0.00 0.01 0.19 1.96 0.00 0.00 0.00 179.25 181.41 1tzy h GLN 76 N 0.00 0.00 0.07 0.00 4.20 -0.84 -2.14 115.11 116.41 1tzy h GLN 76 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tzy h GLN 76 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1tzy h GLN 76 CO 0.00 0.00 -0.03 -0.44 -0.67 0.00 0.00 178.83 177.69 1tzy h ASP 77 N 0.00 -0.08 -0.26 1.46 5.19 -1.59 -3.38 116.42 117.76 1tzy h ASP 77 Ca 0.02 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1tzy h ASP 77 Cb 0.40 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1tzy h ASP 77 CO -0.00 0.26 0.40 -0.26 -3.12 0.00 0.00 179.24 176.52 1tzy h PHE 78 N -0.72 0.00 -1.46 4.55 0.04 -1.60 -3.41 116.94 114.34 1tzy h PHE 78 Ca -0.01 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.88 1tzy h PHE 78 Cb 0.07 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 37.94 1tzy h PHE 78 CO 0.01 0.00 0.47 0.21 -0.60 0.00 0.00 178.31 178.40 1tzy s LYS 79 N -4.44 0.34 0.51 1.51 2.20 -0.84 -5.14 119.74 113.88 1tzy s LYS 79 Ca -0.04 0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.91 1tzy s LYS 79 Cb 0.13 0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.48 1tzy s LYS 79 CO 0.45 -0.06 1.10 0.99 -0.36 0.00 0.00 175.35 177.46 1tzy s THR 80 N 1.00 3.40 -1.08 3.43 2.01 -1.26 -4.21 115.64 118.92 1tzy s THR 80 Ca -0.05 0.89 -0.13 0.00 0.31 0.00 0.00 61.69 62.71 1tzy s THR 80 Cb -0.04 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1tzy s THR 80 CO -0.13 -0.17 0.85 0.47 -0.69 0.00 0.00 174.62 174.95 1tzy n ASP 81 N -1.07 -6.04 -4.59 3.53 8.00 -1.26 -5.00 116.55 110.12 1tzy n ASP 81 Ca 0.10 -0.84 -0.34 0.00 0.71 0.00 0.00 54.79 54.42 1tzy n ASP 81 Cb 0.51 -4.26 -0.11 0.00 -0.02 0.00 0.00 41.12 37.24 1tzy n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1tzy s LEU 82 N -5.87 3.42 0.08 0.64 1.02 -1.26 -5.12 118.68 111.59 1tzy s LEU 82 Ca 0.45 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.65 1tzy s LEU 82 Cb -0.11 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 1tzy s LEU 82 CO 0.80 0.28 -0.00 -0.60 0.02 0.00 0.00 176.35 176.85 1tzy s ARG 83 N -0.28 2.58 -0.14 1.70 3.52 -1.26 -5.07 118.95 120.00 1tzy s ARG 83 Ca 0.06 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1tzy s ARG 83 Cb -0.12 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1tzy s ARG 83 CO 0.02 0.55 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.99 1tzy s PHE 84 N -1.28 3.10 0.47 5.12 0.40 -1.26 -5.10 117.98 119.43 1tzy s PHE 84 Ca 0.25 -0.09 -0.24 0.00 -0.60 0.00 0.00 56.93 56.24 1tzy s PHE 84 Cb -0.12 -1.93 -0.07 0.00 0.51 0.00 0.00 43.02 41.41 1tzy s PHE 84 CO 0.17 0.14 1.42 -0.65 0.70 0.00 0.00 175.22 177.00 1tzy s GLN 85 N 0.02 3.55 0.26 0.44 -0.21 -1.26 -4.89 119.66 117.56 1tzy s GLN 85 Ca 0.02 2.39 -0.02 0.00 0.02 0.00 0.00 55.36 57.77 1tzy s GLN 85 Cb -0.13 -2.56 0.49 0.00 1.00 0.00 0.00 33.01 31.81 1tzy s GLN 85 CO 0.02 -0.92 1.78 0.77 -2.12 0.00 0.00 175.29 174.83 1tzy h SER 86 N 2.11 0.61 1.20 5.90 0.02 -2.00 -0.07 113.55 121.31 1tzy h SER 86 Ca -0.51 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1tzy h SER 86 Cb 1.27 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1tzy h SER 86 CO 0.60 0.29 -0.06 0.77 -1.14 0.00 0.00 176.83 177.30 1tzy h SER 87 N 0.70 0.00 -0.48 3.07 4.64 -1.99 -1.60 113.55 117.91 1tzy h SER 87 Ca 0.44 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.65 1tzy h SER 87 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1tzy h SER 87 CO -0.32 0.06 -0.13 0.00 -0.87 0.00 0.00 176.83 175.57 1tzy h ALA 88 N 1.94 0.66 -0.55 5.18 0.00 -1.39 0.08 119.26 125.19 1tzy h ALA 88 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1tzy h ALA 88 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1tzy h ALA 88 CO 0.01 0.58 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1tzy h VAL 89 N 0.78 1.26 -0.69 0.00 2.07 -0.82 -1.77 116.25 117.10 1tzy h VAL 89 Ca 0.12 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1tzy h VAL 89 Cb 0.69 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1tzy h VAL 89 CO 0.05 0.39 0.24 0.24 0.02 0.00 0.00 177.57 178.51 1tzy h MET 90 N 0.84 1.05 -0.52 1.57 2.86 -1.23 0.60 114.93 120.10 1tzy h MET 90 Ca 0.16 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1tzy h MET 90 Cb 0.52 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1tzy h MET 90 CO 0.03 0.89 0.33 0.00 1.06 0.00 0.00 176.91 179.21 1tzy h ALA 91 N 1.11 0.66 -0.58 6.32 0.00 -0.81 -0.31 119.26 125.65 1tzy h ALA 91 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1tzy h ALA 91 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1tzy h ALA 91 CO -0.01 0.06 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 1tzy h LEU 92 N 0.66 0.84 -0.23 0.00 3.38 -0.89 -1.75 115.31 117.32 1tzy h LEU 92 Ca 0.20 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1tzy h LEU 92 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1tzy h LEU 92 CO -0.07 0.83 -0.28 -0.61 0.09 0.00 0.00 178.44 178.40 1tzy h GLN 93 N 0.86 0.59 -0.47 1.13 4.15 -0.54 -1.09 115.11 119.74 1tzy h GLN 93 Ca 0.19 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.31 1tzy h GLN 93 Cb 0.32 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1tzy h GLN 93 CO 0.00 0.94 0.24 0.93 -1.93 0.00 0.00 178.83 179.00 1tzy h GLU 94 N 0.28 0.46 -0.37 1.69 4.39 -0.99 -0.75 114.58 119.29 1tzy h GLU 94 Ca 0.03 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1tzy h GLU 94 Cb 0.86 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1tzy h GLU 94 CO 0.07 0.30 -0.13 0.00 -1.16 0.00 0.00 179.01 178.09 1tzy h ALA 95 N 1.25 0.52 -0.37 3.43 0.00 -1.26 -1.74 119.26 121.08 1tzy h ALA 95 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tzy h ALA 95 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1tzy h ALA 95 CO -0.14 0.41 0.11 0.77 0.00 0.00 0.00 179.25 180.39 1tzy h SER 96 N 0.54 0.55 -0.25 0.00 0.02 -1.00 -0.63 113.55 112.78 1tzy h SER 96 Ca 0.09 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1tzy h SER 96 Cb 0.66 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1tzy h SER 96 CO 0.04 0.61 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.86 1tzy h GLU 97 N 0.45 0.56 -0.93 3.45 5.08 -1.14 -1.16 114.58 120.90 1tzy h GLU 97 Ca 0.12 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1tzy h GLU 97 Cb 0.27 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1tzy h GLU 97 CO -0.00 0.83 0.60 0.00 -1.00 0.00 0.00 179.01 179.44 1tzy h ALA 98 N 0.71 1.56 -0.36 3.43 0.00 -1.19 -0.83 119.26 122.58 1tzy h ALA 98 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1tzy h ALA 98 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1tzy h ALA 98 CO 0.04 0.26 0.08 -0.92 0.00 0.00 0.00 179.25 178.72 1tzy h TYR 99 N 0.97 0.62 -0.41 0.00 3.20 -0.79 -1.48 116.97 119.08 1tzy h TYR 99 Ca 0.43 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 1tzy h TYR 99 Cb 0.35 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1tzy h TYR 99 CO -0.00 0.62 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.00 1tzy h LEU 100 N 0.44 0.76 -0.34 2.82 3.38 -0.74 -0.53 115.31 121.10 1tzy h LEU 100 Ca 0.11 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1tzy h LEU 100 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1tzy h LEU 100 CO 0.00 0.93 0.18 0.58 0.09 0.00 0.00 178.44 180.22 1tzy h VAL 101 N 0.58 1.15 -0.69 1.22 2.07 -1.11 0.12 116.25 119.59 1tzy h VAL 101 Ca 0.11 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1tzy h VAL 101 Cb 0.57 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1tzy h VAL 101 CO 0.03 0.15 0.43 1.23 0.02 0.00 0.00 177.57 179.43 1tzy h GLY 102 N 0.42 0.99 1.41 2.17 0.00 -1.09 -1.36 103.07 105.62 1tzy h GLY 102 Ca 0.12 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 1tzy h GLY 102 CO -0.02 0.38 -0.73 -2.00 0.00 0.00 0.00 176.54 174.17 1tzy h LEU 103 N 0.94 0.68 -0.98 3.11 5.85 -0.45 -2.52 115.31 121.95 1tzy h LEU 103 Ca 0.25 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1tzy h LEU 103 Cb -0.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1tzy h LEU 103 CO -0.05 1.20 0.54 -0.26 -0.34 0.00 0.00 178.44 179.54 1tzy h PHE 104 N 0.40 1.22 -0.45 1.25 0.04 -0.46 0.30 116.94 119.24 1tzy h PHE 104 Ca -0.04 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.76 1tzy h PHE 104 Cb 1.33 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 1tzy h PHE 104 CO 0.06 0.81 0.22 0.93 -0.60 0.00 0.00 178.31 179.74 1tzy h GLU 105 N 1.27 0.44 -0.31 1.51 5.08 -0.93 0.58 114.58 122.21 1tzy h GLU 105 Ca 0.33 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1tzy h GLU 105 Cb -0.04 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1tzy h GLU 105 CO -0.06 0.29 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.45 1tzy h ASP 106 N 0.45 0.85 -0.27 1.42 3.32 -1.12 -2.14 116.42 118.92 1tzy h ASP 106 Ca 0.19 -0.48 0.05 0.00 0.02 0.00 0.00 57.03 56.81 1tzy h ASP 106 Cb 0.10 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 1tzy h ASP 106 CO -0.13 1.16 -0.05 0.74 -1.72 0.00 0.00 179.24 179.23 1tzy h THR 107 N 0.55 0.75 -0.84 0.35 2.02 -0.82 -1.22 112.91 113.70 1tzy h THR 107 Ca 0.04 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1tzy h THR 107 Cb 0.93 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 1tzy h THR 107 CO 0.08 0.00 0.48 -1.13 0.37 0.00 0.00 175.52 175.33 1tzy h ASN 108 N 0.02 0.67 0.35 4.18 -0.00 -0.54 -0.83 115.58 119.43 1tzy h ASN 108 Ca 0.13 0.05 -0.11 0.00 -0.00 0.00 0.00 56.30 56.37 1tzy h ASN 108 Cb 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 1tzy h ASN 108 CO -0.26 0.37 -0.48 -0.07 -0.00 0.00 0.00 177.43 176.99 1tzy h LEU 109 N 0.78 0.16 -0.31 0.34 3.38 -0.80 -1.05 115.31 117.81 1tzy h LEU 109 Ca 0.41 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 1tzy h LEU 109 Cb 0.41 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1tzy h LEU 109 CO -0.27 0.62 -0.42 0.00 0.09 0.00 0.00 178.44 178.46 1tzy h ALA 111 N 0.70 -0.02 -0.74 0.00 0.00 -0.80 -2.77 119.26 115.65 1tzy h ALA 111 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1tzy h ALA 111 Cb 1.02 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1tzy h ALA 111 CO 0.10 -0.53 0.42 0.82 0.00 0.00 0.00 179.25 180.06 1tzy h ILE 112 N -0.06 0.94 -0.99 0.00 2.04 -1.16 -0.29 117.51 117.99 1tzy h ILE 112 Ca 0.03 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1tzy h ILE 112 Cb 0.11 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.25 1tzy h ILE 112 CO -0.07 0.14 0.63 -0.74 0.00 0.00 0.00 178.15 178.10 1tzy h HIS 113 N 0.74 1.12 -0.21 1.37 2.76 -1.05 -0.11 115.15 119.77 1tzy h HIS 113 Ca 0.34 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1tzy h HIS 113 Cb 0.26 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1tzy h HIS 113 CO -0.07 0.47 0.00 0.00 -1.30 0.00 0.00 177.93 177.03 1tzy n ALA 114 N -2.36 2.91 -3.08 5.26 0.00 -0.24 -4.89 120.51 118.11 1tzy n ALA 114 Ca 0.18 -0.63 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 1tzy n ALA 114 Cb 0.33 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 0.22 -4.77 -4.40 0.00 4.76 -0.05 -5.01 118.16 108.91 1tzy n LYS 115 Ca 0.09 0.85 -0.25 0.00 -2.87 0.00 0.00 58.31 56.14 1tzy n LYS 115 Cb 0.53 -5.70 -0.09 0.00 -1.84 0.00 0.00 35.03 27.93 1tzy n LYS 115 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1tzy s ARG 116 N -5.76 2.00 -0.00 1.97 0.52 -0.50 -5.00 118.95 112.18 1tzy s ARG 116 Ca 0.32 -1.81 0.04 0.00 -0.52 0.00 0.00 55.73 53.76 1tzy s ARG 116 Cb -0.15 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1tzy s ARG 116 CO 0.40 0.13 0.15 0.28 0.02 0.00 0.00 175.30 176.28 1tzy n VAL 117 N -0.91 0.00 -3.77 3.52 0.31 -1.26 -3.18 118.33 113.03 1tzy n VAL 117 Ca -0.04 -0.36 -0.36 0.00 -0.01 0.00 0.00 64.34 63.57 1tzy n VAL 117 Cb 0.63 0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 34.35 1tzy n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1tzy s THR 118 N -1.50 4.81 0.32 2.52 2.01 -1.26 -5.00 115.64 117.54 1tzy s THR 118 Ca 0.01 -0.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1tzy s THR 118 Cb 0.03 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1tzy s THR 118 CO 0.15 0.35 1.00 0.27 -0.69 0.00 0.00 174.62 175.70 1tzy s ILE 119 N 1.24 3.93 0.16 1.82 -4.36 -1.26 -4.89 121.20 117.85 1tzy s ILE 119 Ca 0.06 1.68 0.05 0.00 -0.26 0.00 0.00 60.65 62.18 1tzy s ILE 119 Cb -0.14 -3.97 -0.05 0.00 1.25 0.00 0.00 42.46 39.55 1tzy s ILE 119 CO 0.05 0.21 -0.11 -0.04 0.24 0.00 0.00 174.94 175.29 1tzy s MET 120 N -1.91 1.13 0.30 0.37 -1.94 -1.26 -5.04 119.30 110.95 1tzy s MET 120 Ca 0.50 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 53.05 1tzy s MET 120 Cb -0.23 -0.73 0.79 0.00 2.01 0.00 0.00 34.83 36.67 1tzy s MET 120 CO 0.29 0.09 1.72 -1.35 -0.01 0.00 0.00 175.02 175.76 1tzy h PRO 121 N 2.72 0.50 -0.67 2.03 0.11 -2.00 0.14 132.00 134.83 1tzy h PRO 121 Ca -0.37 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.83 1tzy h PRO 121 Cb 1.20 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1tzy h PRO 121 CO 0.63 0.33 0.45 1.57 -0.21 0.00 0.00 178.00 180.77 1tzy h LYS 122 N 0.52 0.40 -0.35 1.05 2.10 -1.99 0.55 116.57 118.85 1tzy h LYS 122 Ca 0.60 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 59.15 1tzy h LYS 122 Cb 1.11 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1tzy h LYS 122 CO -0.49 0.26 -0.07 -0.44 -2.00 0.00 0.00 179.45 176.72 1tzy h ASP 123 N 0.41 0.67 -0.43 7.07 3.32 -1.31 -1.10 116.42 125.05 1tzy h ASP 123 Ca 0.32 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1tzy h ASP 123 Cb 0.69 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1tzy h ASP 123 CO -0.09 0.87 0.22 0.40 -1.72 0.00 0.00 179.24 178.92 1tzy h ILE 124 N 0.46 1.16 -0.63 0.35 2.04 -1.19 -1.56 117.51 118.15 1tzy h ILE 124 Ca 0.09 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1tzy h ILE 124 Cb 0.56 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1tzy h ILE 124 CO 0.03 0.17 0.13 1.56 0.00 0.00 0.00 178.15 180.05 1tzy h GLN 125 N 0.55 1.03 -0.05 2.37 4.20 -0.81 -0.73 115.11 121.67 1tzy h GLN 125 Ca 0.15 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1tzy h GLN 125 Cb 0.08 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1tzy h GLN 125 CO -0.02 0.94 0.02 1.25 -0.67 0.00 0.00 178.83 180.35 1tzy h LEU 126 N 0.95 0.06 -0.43 1.46 5.85 -1.11 -1.63 115.31 120.47 1tzy h LEU 126 Ca 0.20 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1tzy h LEU 126 Cb 0.39 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1tzy h LEU 126 CO 0.01 0.16 0.07 0.00 -0.34 0.00 0.00 178.44 178.34 1tzy h ALA 127 N 0.90 0.46 -0.74 1.25 0.00 -1.00 -1.60 119.26 118.52 1tzy h ALA 127 Ca 0.02 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1tzy h ALA 127 Cb 0.12 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1tzy h ALA 127 CO -0.00 -0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.14 1tzy h ARG 128 N 0.20 1.17 -0.15 0.00 3.08 -1.02 0.04 114.38 117.70 1tzy h ARG 128 Ca 0.21 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1tzy h ARG 128 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1tzy h ARG 128 CO -0.29 1.00 0.06 -0.09 -1.07 0.00 0.00 179.97 179.59 1tzy h ARG 129 N 1.11 0.22 -0.31 0.04 1.12 -0.98 -0.64 114.38 114.94 1tzy h ARG 129 Ca 0.24 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 59.01 1tzy h ARG 129 Cb 0.33 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1tzy h ARG 129 CO -0.01 0.29 -0.09 0.82 -3.11 0.00 0.00 179.97 177.87 1tzy h ILE 130 N 0.09 1.22 0.00 1.20 2.04 -0.98 -2.26 117.51 118.84 1tzy h ILE 130 Ca 0.05 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1tzy h ILE 130 Cb 0.15 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1tzy h ILE 130 CO -0.01 0.32 0.00 0.03 0.00 0.00 0.00 178.15 178.49 1tzy h ARG 131 N 0.48 0.00 0.00 2.37 3.08 -0.77 -3.47 114.38 116.07 1tzy h ARG 131 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1tzy h ARG 131 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1tzy h ARG 131 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1tzy n GLY 132 N 0.30 0.78 0.15 0.04 0.00 -0.67 -4.97 105.19 100.83 1tzy n GLY 132 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.60 0.00 0.00 1.61 5.08 -1.38 -3.35 114.58 118.13 1tzy h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tzy h GLU 133 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tzy h GLU 133 CO 0.00 0.13 0.00 2.89 -1.00 0.00 0.00 179.01 181.03 1tzy n ARG 134 N -2.96 0.29 0.00 2.33 1.85 -1.22 -5.00 116.66 111.95 1tzy n ARG 134 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 56.31 1tzy n ARG 134 Cb 0.62 -0.56 0.00 0.00 -1.05 0.00 0.00 32.46 31.47 1tzy n ARG 134 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62