#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzy s LYS 20 N 0.00 3.12 -0.52 -0.14 2.20 -1.26 -4.99 119.74 118.15 1tzy s LYS 20 Ca 0.00 1.55 -0.24 0.00 -0.36 0.00 0.00 55.97 56.93 1tzy s LYS 20 Cb 0.00 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1tzy s LYS 20 CO 0.00 -1.03 0.88 0.08 -0.36 0.00 0.00 175.35 174.92 1tzy s VAL 21 N -1.96 4.49 0.22 4.02 1.01 -1.26 -5.02 120.40 121.90 1tzy s VAL 21 Ca 0.71 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1tzy s VAL 21 Cb -0.23 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.59 1tzy s VAL 21 CO 0.33 -0.99 1.21 -0.76 0.00 0.00 0.00 175.10 174.88 1tzy s LEU 22 N 3.69 4.46 0.05 3.92 1.43 -1.26 -5.03 118.68 125.93 1tzy s LEU 22 Ca 0.29 2.32 -0.08 0.00 -1.03 0.00 0.00 54.13 55.64 1tzy s LEU 22 Cb -0.13 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 1tzy s LEU 22 CO 0.20 -0.37 0.15 0.00 0.23 0.00 0.00 176.35 176.56 1tzy s ARG 23 N -0.66 0.67 -2.05 1.70 1.70 -1.26 -4.94 118.95 114.10 1tzy s ARG 23 Ca 0.51 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1tzy s ARG 23 Cb -0.34 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1tzy s ARG 23 CO 0.40 -0.19 0.00 -0.25 -1.08 0.00 0.00 175.30 174.18 1tzy n ASP 24 N 0.61 -5.67 0.00 -2.89 8.00 -1.26 -4.86 116.55 110.48 1tzy n ASP 24 Ca -0.18 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1tzy n ASP 24 Cb 0.59 -4.89 0.46 0.00 -0.02 0.00 0.00 41.12 37.27 1tzy n ASP 24 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1tzy n ASN 25 N -1.62 0.00 0.33 -2.24 3.02 -1.26 -1.80 115.26 111.68 1tzy n ASN 25 Ca -0.22 0.30 0.22 0.00 -0.03 0.00 0.00 54.58 54.84 1tzy n ASN 25 Cb 0.69 -0.42 1.15 0.00 -0.61 0.00 0.00 39.78 40.59 1tzy n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1tzy h ILE 26 N 0.00 0.07 0.00 2.41 6.09 -1.98 -0.83 117.51 123.28 1tzy h ILE 26 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1tzy h ILE 26 Cb 0.29 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1tzy h ILE 26 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1tzy n GLN 27 N -3.18 0.20 0.00 2.19 1.13 -0.75 -2.14 117.38 114.83 1tzy n GLN 27 Ca -0.03 0.25 0.08 0.00 -1.94 0.00 0.00 57.00 55.35 1tzy n GLN 27 Cb 0.09 -1.77 0.35 0.00 0.11 0.00 0.00 30.24 29.02 1tzy n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tzy n GLY 28 N 0.90 -0.98 3.41 1.08 0.00 -0.31 -4.11 105.19 105.18 1tzy n GLY 28 Ca 0.05 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1tzy n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tzy s ILE 29 N -2.90 4.93 0.55 -0.61 -1.09 -0.91 -5.01 121.20 116.16 1tzy s ILE 29 Ca 0.09 -1.66 -0.03 0.00 -2.23 0.00 0.00 60.65 56.83 1tzy s ILE 29 Cb 0.10 -4.66 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 1tzy s ILE 29 CO 0.27 -1.34 0.82 0.42 -1.23 0.00 0.00 174.94 173.88 1tzy s THR 30 N 2.15 3.44 0.16 2.92 -4.23 -1.26 -4.89 115.64 113.94 1tzy s THR 30 Ca 0.26 -0.31 -0.21 0.00 -1.18 0.00 0.00 61.69 60.25 1tzy s THR 30 Cb -0.09 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.48 1tzy s THR 30 CO -0.06 -0.29 1.63 0.50 -0.54 0.00 0.00 174.62 175.86 1tzy h LYS 31 N 0.01 -0.18 -0.94 3.99 3.64 -1.95 -0.81 116.57 120.33 1tzy h LYS 31 Ca -0.45 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1tzy h LYS 31 Cb 1.27 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 1tzy h LYS 31 CO 0.58 -0.12 0.62 -1.35 -2.27 0.00 0.00 179.45 176.91 1tzy h PRO 32 N -0.19 1.24 -0.58 1.90 0.10 -1.99 -0.48 132.00 132.01 1tzy h PRO 32 Ca 0.17 -0.08 0.03 0.00 0.10 0.00 0.00 66.00 66.22 1tzy h PRO 32 Cb 0.44 -0.28 -0.04 0.00 0.10 0.00 0.00 31.00 31.22 1tzy h PRO 32 CO -0.43 0.82 0.34 0.00 0.10 0.00 0.00 178.00 178.83 1tzy h ALA 33 N 1.41 0.75 -0.42 -0.75 0.00 -1.69 -1.42 119.26 117.13 1tzy h ALA 33 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1tzy h ALA 33 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1tzy h ALA 33 CO -0.07 0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.87 1tzy h ILE 34 N 0.67 1.27 -0.33 0.00 2.04 -0.79 -2.09 117.51 118.28 1tzy h ILE 34 Ca 0.24 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1tzy h ILE 34 Cb 0.05 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1tzy h ILE 34 CO -0.11 0.44 0.14 -0.09 0.00 0.00 0.00 178.15 178.53 1tzy h ARG 35 N 0.72 0.48 -0.80 2.37 2.43 -0.89 0.04 114.38 118.73 1tzy h ARG 35 Ca 0.11 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1tzy h ARG 35 Cb 0.69 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 1tzy h ARG 35 CO 0.05 0.46 0.50 0.00 -1.51 0.00 0.00 179.97 179.47 1tzy h ARG 36 N 0.38 0.90 -0.25 0.20 3.08 -0.99 0.11 114.38 117.81 1tzy h ARG 36 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1tzy h ARG 36 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1tzy h ARG 36 CO -0.01 0.60 0.13 -0.07 -1.07 0.00 0.00 179.97 179.55 1tzy h LEU 37 N 0.93 0.33 -1.05 3.04 3.38 -0.99 -1.05 115.31 119.89 1tzy h LEU 37 Ca 0.34 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1tzy h LEU 37 Cb 0.12 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1tzy h LEU 37 CO -0.15 0.34 0.64 0.00 0.09 0.00 0.00 178.44 179.36 1tzy h ALA 38 N 1.00 1.33 -0.41 1.53 0.00 -0.61 -0.66 119.26 121.45 1tzy h ALA 38 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1tzy h ALA 38 Cb 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1tzy h ALA 38 CO -0.01 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.08 1tzy h ARG 39 N 1.28 0.55 -0.14 0.00 2.47 -0.68 0.21 114.38 118.07 1tzy h ARG 39 Ca 0.37 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 1tzy h ARG 39 Cb -0.09 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 1tzy h ARG 39 CO -0.09 0.40 0.01 -0.09 0.56 0.00 0.00 179.97 180.76 1tzy h ARG 40 N 0.54 0.20 0.00 0.04 9.65 -0.57 -0.93 114.38 123.30 1tzy h ARG 40 Ca 0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1tzy h ARG 40 Cb -0.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1tzy h ARG 40 CO -0.03 0.21 0.00 0.41 2.80 0.00 0.00 179.97 183.36 1tzy n GLY 41 N -1.29 -0.92 1.83 2.80 0.00 -0.31 -4.88 105.19 102.41 1tzy n GLY 41 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1tzy n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tzy n GLY 42 N 0.56 0.44 3.76 -0.02 0.00 -0.35 -5.03 105.19 104.55 1tzy n GLY 42 Ca 0.07 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1tzy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tzy s VAL 43 N -2.00 4.98 -0.16 1.61 1.01 -0.03 -4.97 120.40 120.85 1tzy s VAL 43 Ca 0.00 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.19 1tzy s VAL 43 Cb 0.00 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 1tzy s VAL 43 CO 0.00 0.42 0.21 1.17 0.00 0.00 0.00 175.10 176.90 1tzy n LYS 44 N 2.83 0.68 -3.81 2.72 4.81 -1.26 -4.33 118.16 119.80 1tzy n LYS 44 Ca -0.08 0.16 -0.12 0.00 -0.87 0.00 0.00 58.31 57.40 1tzy n LYS 44 Cb 0.51 -1.63 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 1tzy n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1tzy s ARG 45 N -2.54 0.23 -0.09 1.64 3.52 -1.26 -5.13 118.95 115.33 1tzy s ARG 45 Ca -0.17 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1tzy s ARG 45 Cb 0.07 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1tzy s ARG 45 CO 0.76 -0.03 -0.12 0.42 -0.81 0.00 0.00 175.30 175.52 1tzy s ILE 46 N 0.04 1.22 0.50 4.11 1.01 -1.26 -5.13 121.20 121.70 1tzy s ILE 46 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1tzy s ILE 46 Cb -0.02 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1tzy s ILE 46 CO 0.00 0.38 1.13 -0.55 0.00 0.00 0.00 174.94 175.91 1tzy s SER 47 N 1.00 5.97 0.54 3.58 0.15 -1.26 -4.93 113.70 118.75 1tzy s SER 47 Ca -0.08 2.20 0.21 0.00 0.70 0.00 0.00 55.95 58.98 1tzy s SER 47 Cb -0.15 -2.59 1.43 0.00 -1.71 0.00 0.00 66.02 63.01 1tzy s SER 47 CO -0.01 -1.05 2.14 1.23 1.20 0.00 0.00 173.24 176.76 1tzy h GLY 48 N 1.58 0.00 1.70 9.45 0.00 -2.05 -1.88 103.07 111.86 1tzy h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1tzy h GLY 48 CO 0.58 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.16 1tzy n LEU 49 N -4.31 0.00 0.18 3.11 4.77 -1.26 -3.74 117.00 115.75 1tzy n LEU 49 Ca -0.01 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1tzy n LEU 49 Cb 0.19 -0.35 0.30 0.00 -2.33 0.00 0.00 43.42 41.23 1tzy n LEU 49 CO 0.32 -0.04 0.65 0.16 -1.33 0.00 0.00 177.39 177.16 1tzy h ILE 50 N 0.00 0.90 -0.29 -0.08 -0.00 -1.72 -3.15 117.51 113.17 1tzy h ILE 50 Ca 0.00 -1.62 -0.05 0.00 -0.00 0.00 0.00 64.86 63.19 1tzy h ILE 50 Cb 0.31 1.99 -0.01 0.00 -0.00 0.00 0.00 36.82 39.11 1tzy h ILE 50 CO 0.00 0.39 -0.00 1.88 -0.00 0.00 0.00 178.15 180.42 1tzy h TYR 51 N 0.00 0.55 -0.15 0.16 0.05 -1.77 0.23 116.97 116.04 1tzy h TYR 51 Ca -0.00 -0.10 -0.17 0.00 0.05 0.00 0.00 58.73 58.51 1tzy h TYR 51 Cb 0.96 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 1tzy h TYR 51 CO 0.00 0.65 -0.61 0.93 -1.05 0.00 0.00 178.16 178.08 1tzy h GLU 52 N 0.30 0.52 -0.42 4.88 4.39 -1.80 -2.16 114.58 120.29 1tzy h GLU 52 Ca 0.08 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.45 1tzy h GLU 52 Cb 0.43 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1tzy h GLU 52 CO 0.01 0.98 0.22 1.49 -1.16 0.00 0.00 179.01 180.56 1tzy h GLU 53 N 0.39 0.44 -0.59 2.33 4.57 -1.47 -2.51 114.58 117.74 1tzy h GLU 53 Ca -0.01 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1tzy h GLU 53 Cb 1.17 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1tzy h GLU 53 CO 0.11 0.29 0.08 1.15 -1.18 0.00 0.00 179.01 179.46 1tzy h THR 54 N 0.45 1.25 -0.66 0.32 2.02 -0.71 -0.94 112.91 114.64 1tzy h THR 54 Ca 0.17 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1tzy h THR 54 Cb 0.05 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1tzy h THR 54 CO -0.10 0.37 0.43 0.03 0.37 0.00 0.00 175.52 176.61 1tzy h ARG 55 N 0.90 0.84 -0.49 6.66 3.08 -1.22 -0.51 114.38 123.65 1tzy h ARG 55 Ca 0.18 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 1tzy h ARG 55 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1tzy h ARG 55 CO 0.01 0.56 0.00 0.78 -1.07 0.00 0.00 179.97 180.25 1tzy h GLY 56 N 0.86 0.93 0.97 0.04 0.00 -0.97 -0.65 103.07 104.25 1tzy h GLY 56 Ca 0.25 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1tzy h GLY 56 CO -0.07 0.63 0.17 -2.08 0.00 0.00 0.00 176.54 175.18 1tzy h VAL 57 N 0.72 1.23 -0.50 4.60 2.07 -0.86 -2.75 116.25 120.75 1tzy h VAL 57 Ca 0.14 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1tzy h VAL 57 Cb 0.51 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1tzy h VAL 57 CO 0.02 0.28 -0.07 0.25 0.02 0.00 0.00 177.57 178.07 1tzy h LEU 58 N 0.68 0.93 -0.57 2.57 5.85 -0.94 -2.19 115.31 121.64 1tzy h LEU 58 Ca 0.16 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1tzy h LEU 58 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1tzy h LEU 58 CO -0.01 1.05 0.37 0.50 -0.34 0.00 0.00 178.44 180.01 1tzy h LYS 59 N 0.79 0.76 -0.16 1.25 3.64 -0.96 0.08 116.57 121.97 1tzy h LYS 59 Ca 0.13 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1tzy h LYS 59 Cb 0.61 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1tzy h LYS 59 CO 0.04 0.51 0.09 0.28 -2.27 0.00 0.00 179.45 178.10 1tzy h VAL 60 N 0.77 1.01 -0.05 2.00 2.07 -1.40 0.16 116.25 120.82 1tzy h VAL 60 Ca 0.21 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1tzy h VAL 60 Cb -0.07 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1tzy h VAL 60 CO -0.04 0.03 -0.06 0.15 0.02 0.00 0.00 177.57 177.67 1tzy h PHE 61 N 0.19 -0.16 -0.40 1.57 3.57 -1.01 -1.51 116.94 119.19 1tzy h PHE 61 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1tzy h PHE 61 Cb -0.00 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1tzy h PHE 61 CO -0.08 -0.10 0.08 -0.07 -2.23 0.00 0.00 178.31 175.90 1tzy h LEU 62 N -0.09 0.62 -0.76 0.59 3.38 -0.82 -1.70 115.31 116.53 1tzy h LEU 62 Ca 0.04 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1tzy h LEU 62 Cb 0.15 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1tzy h LEU 62 CO -0.10 0.71 0.45 -0.33 0.09 0.00 0.00 178.44 179.27 1tzy h GLU 63 N 0.51 0.82 -0.31 1.13 5.08 -0.60 -0.04 114.58 121.17 1tzy h GLU 63 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1tzy h GLU 63 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tzy h GLU 63 CO 0.01 0.54 0.05 -0.91 -1.00 0.00 0.00 179.01 177.69 1tzy h ASN 64 N 0.84 0.49 -0.30 1.42 2.35 -0.89 -1.36 115.58 118.13 1tzy h ASN 64 Ca 0.33 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1tzy h ASN 64 Cb 0.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1tzy h ASN 64 CO -0.17 0.62 -0.15 0.58 -1.65 0.00 0.00 177.43 176.66 1tzy h VAL 65 N 0.33 1.29 -0.69 2.81 2.07 -1.08 -2.84 116.25 118.15 1tzy h VAL 65 Ca 0.09 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1tzy h VAL 65 Cb 0.34 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1tzy h VAL 65 CO 0.01 0.40 0.23 0.40 0.02 0.00 0.00 177.57 178.63 1tzy h ILE 66 N 0.38 1.25 -0.25 4.57 2.04 -0.99 -0.00 117.51 124.52 1tzy h ILE 66 Ca 0.07 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1tzy h ILE 66 Cb 0.68 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1tzy h ILE 66 CO 0.05 0.33 -0.02 -0.09 0.00 0.00 0.00 178.15 178.42 1tzy h ARG 67 N 1.01 0.05 -0.41 2.37 2.43 -1.21 -0.38 114.38 118.25 1tzy h ARG 67 Ca 0.23 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1tzy h ARG 67 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1tzy h ARG 67 CO -0.01 0.03 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.04 1tzy h ASP 68 N 0.05 0.70 -0.43 -3.80 3.32 -1.24 -1.72 116.42 113.31 1tzy h ASP 68 Ca 0.12 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 56.93 1tzy h ASP 68 Cb 0.16 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1tzy h ASP 68 CO -0.21 0.84 0.05 0.00 -1.72 0.00 0.00 179.24 178.20 1tzy h ALA 69 N 0.89 0.45 -0.02 3.45 0.00 -0.64 -2.09 119.26 121.31 1tzy h ALA 69 Ca 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1tzy h ALA 69 Cb 0.48 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1tzy h ALA 69 CO 0.02 -0.35 -0.29 -0.39 0.00 0.00 0.00 179.25 178.25 1tzy h VAL 70 N 0.17 1.21 -0.54 0.00 -1.51 -0.94 -0.90 116.25 113.75 1tzy h VAL 70 Ca 0.21 -1.01 -0.03 0.00 -1.23 0.00 0.00 66.70 64.65 1tzy h VAL 70 Cb 0.29 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1tzy h VAL 70 CO -0.31 0.29 0.23 0.74 -1.23 0.00 0.00 177.57 177.29 1tzy h THR 71 N 0.02 1.21 -0.53 7.19 2.02 -0.66 0.11 112.91 122.27 1tzy h THR 71 Ca 0.00 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1tzy h THR 71 Cb 0.52 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1tzy h THR 71 CO 0.04 0.24 0.00 1.88 0.37 0.00 0.00 175.52 178.05 1tzy h TYR 72 N 0.72 1.01 0.04 3.16 0.05 -0.72 -0.87 116.97 120.37 1tzy h TYR 72 Ca 0.18 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1tzy h TYR 72 Cb 0.16 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1tzy h TYR 72 CO 0.00 0.93 -0.04 1.15 -1.05 0.00 0.00 178.16 179.16 1tzy h THR 73 N 0.80 0.91 -0.26 -2.88 2.02 -0.32 -2.28 112.91 110.91 1tzy h THR 73 Ca 0.15 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 1tzy h THR 73 Cb 0.53 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1tzy h THR 73 CO 0.03 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 175.29 1tzy h GLU 74 N -0.09 0.52 -1.01 6.66 5.08 -0.78 -1.72 114.58 123.25 1tzy h GLU 74 Ca 0.00 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1tzy h GLU 74 Cb 0.09 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1tzy h GLU 74 CO -0.01 0.76 0.66 1.25 -1.00 0.00 0.00 179.01 180.67 1tzy h HIS 75 N 0.45 1.24 0.00 4.33 2.76 -0.90 -0.95 115.15 122.08 1tzy h HIS 75 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1tzy h HIS 75 Cb 0.74 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1tzy h HIS 75 CO 0.03 0.73 0.00 0.00 -1.30 0.00 0.00 177.93 177.38 1tzy n ALA 76 N -2.37 2.64 -3.78 5.26 0.00 -0.88 -4.89 120.51 116.48 1tzy n ALA 76 Ca 0.13 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1tzy n ALA 76 Cb 0.08 -1.50 0.03 0.00 0.00 0.00 0.00 19.45 18.06 1tzy n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tzy n LYS 77 N -1.01 -5.38 -3.77 0.00 5.02 -0.36 -5.01 118.16 107.65 1tzy n LYS 77 Ca 0.23 0.63 -0.21 0.00 -2.02 0.00 0.00 58.31 56.94 1tzy n LYS 77 Cb 0.11 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.73 1tzy n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1tzy s ARG 78 N -6.26 2.90 0.00 1.97 0.52 -0.68 -5.02 118.95 112.37 1tzy s ARG 78 Ca 0.32 -1.16 0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1tzy s ARG 78 Cb -0.16 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1tzy s ARG 78 CO 0.81 0.15 0.49 1.63 0.02 0.00 0.00 175.30 178.40 1tzy n LYS 79 N -1.42 2.11 -3.81 3.54 5.02 -1.26 -4.40 118.16 117.94 1tzy n LYS 79 Ca -0.03 -0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 55.41 1tzy n LYS 79 Cb 0.59 -0.96 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 1tzy n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1tzy s THR 80 N -0.90 3.60 -0.03 -0.18 2.01 -1.26 -5.08 115.64 113.79 1tzy s THR 80 Ca 0.05 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1tzy s THR 80 Cb 0.04 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 1tzy s THR 80 CO 0.13 0.02 1.66 -0.69 -0.69 0.00 0.00 174.62 175.05 1tzy s VAL 81 N 1.41 3.50 0.43 3.82 1.01 -1.26 -4.99 120.40 124.33 1tzy s VAL 81 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.73 1tzy s VAL 81 Cb -0.18 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1tzy s VAL 81 CO 0.01 -0.05 0.59 0.42 0.00 0.00 0.00 175.10 176.07 1tzy s THR 82 N 3.81 2.92 0.20 3.92 -4.23 -1.26 -4.99 115.64 116.00 1tzy s THR 82 Ca 0.74 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.14 1tzy s THR 82 Cb -0.34 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.71 1tzy s THR 82 CO 0.30 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.18 1tzy h ALA 83 N 0.60 0.93 -0.43 3.99 0.00 -1.95 -1.62 119.26 120.78 1tzy h ALA 83 Ca -0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1tzy h ALA 83 Cb 1.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1tzy h ALA 83 CO 0.45 0.49 0.22 1.98 0.00 0.00 0.00 179.25 182.39 1tzy h MET 84 N 1.01 0.59 -0.58 0.00 1.85 -1.96 0.37 114.93 116.22 1tzy h MET 84 Ca 0.25 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.32 1tzy h MET 84 Cb 0.10 -0.12 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 1tzy h MET 84 CO -0.03 0.45 0.32 -0.44 -0.40 0.00 0.00 176.91 176.81 1tzy h ASP 85 N 0.60 0.49 -0.44 1.39 3.32 -1.67 -0.30 116.42 119.81 1tzy h ASP 85 Ca 0.15 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1tzy h ASP 85 Cb 0.04 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1tzy h ASP 85 CO -0.02 0.33 0.16 0.58 -1.72 0.00 0.00 179.24 178.57 1tzy h VAL 86 N 0.62 1.21 -0.64 -1.35 2.07 -0.76 -1.52 116.25 115.88 1tzy h VAL 86 Ca 0.25 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1tzy h VAL 86 Cb 0.11 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1tzy h VAL 86 CO -0.14 0.24 0.34 0.58 0.02 0.00 0.00 177.57 178.61 1tzy h VAL 87 N 0.56 1.21 -0.37 2.57 2.07 -0.63 0.03 116.25 121.69 1tzy h VAL 87 Ca 0.14 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1tzy h VAL 87 Cb 0.22 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1tzy h VAL 87 CO -0.01 0.23 0.14 1.88 0.02 0.00 0.00 177.57 179.83 1tzy h TYR 88 N 0.87 0.57 -0.81 1.57 -1.99 -1.01 -1.80 116.97 114.38 1tzy h TYR 88 Ca 0.22 -0.05 0.08 0.00 2.00 0.00 0.00 58.73 60.99 1tzy h TYR 88 Cb 0.06 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 38.55 1tzy h TYR 88 CO -0.01 0.53 0.47 0.00 -0.00 0.00 0.00 178.16 179.15 1tzy h ALA 89 N 0.98 1.14 -0.51 3.88 0.00 -0.82 -1.59 119.26 122.33 1tzy h ALA 89 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1tzy h ALA 89 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1tzy h ALA 89 CO -0.01 0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 179.21 1tzy h LEU 90 N 0.81 0.97 -1.34 0.00 3.38 -0.76 -2.23 115.31 116.13 1tzy h LEU 90 Ca 0.38 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1tzy h LEU 90 Cb 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1tzy h LEU 90 CO -0.23 1.09 0.48 0.50 0.09 0.00 0.00 178.44 180.37 1tzy h LYS 91 N 0.83 0.80 0.00 1.13 1.63 -0.69 -0.03 116.57 120.25 1tzy h LYS 91 Ca 0.13 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1tzy h LYS 91 Cb 0.64 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1tzy h LYS 91 CO 0.04 0.53 -0.30 -0.09 -3.45 0.00 0.00 179.45 176.19 1tzy h ARG 92 N 0.82 0.00 -0.17 1.90 9.65 -0.69 0.14 114.38 126.03 1tzy h ARG 92 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1tzy h ARG 92 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1tzy h ARG 92 CO -0.10 0.30 0.00 1.04 2.80 0.00 0.00 179.97 184.01 1tzy n GLN 93 N -3.95 1.56 -1.04 0.20 1.13 -0.16 -4.93 117.38 110.20 1tzy n GLN 93 Ca -0.02 -0.85 -0.01 0.00 -1.94 0.00 0.00 57.00 54.18 1tzy n GLN 93 Cb 0.37 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.40 1tzy n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tzy n GLY 94 N 1.00 0.49 3.43 1.08 0.00 0.47 -5.03 105.19 106.63 1tzy n GLY 94 Ca 0.13 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1tzy n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tzy s ARG 95 N -1.95 3.51 -0.30 1.61 0.52 -0.42 -4.98 118.95 116.94 1tzy s ARG 95 Ca 0.00 -0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1tzy s ARG 95 Cb 0.00 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1tzy s ARG 95 CO 0.00 0.22 0.09 0.99 0.02 0.00 0.00 175.30 176.62 1tzy s THR 96 N 0.37 4.03 -0.23 0.02 2.01 -1.26 -1.99 115.64 118.59 1tzy s THR 96 Ca -0.08 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 1tzy s THR 96 Cb -0.15 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1tzy s THR 96 CO 0.04 0.05 0.16 -0.22 -0.69 0.00 0.00 174.62 173.97 1tzy s LEU 97 N 1.51 4.14 -0.02 4.42 2.96 -1.26 -5.08 118.68 125.35 1tzy s LEU 97 Ca 0.02 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1tzy s LEU 97 Cb -0.17 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1tzy s LEU 97 CO 0.03 0.09 0.20 -0.31 -1.32 0.00 0.00 176.35 175.04 1tzy s TYR 98 N 0.89 3.56 0.00 5.38 1.51 -1.26 -4.66 117.35 122.77 1tzy s TYR 98 Ca 0.08 0.44 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 1tzy s TYR 98 Cb -0.13 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1tzy s TYR 98 CO 0.03 0.65 0.00 0.41 -1.11 0.00 0.00 175.55 175.53 1tzy n GLY 99 N 1.11 0.91 0.08 0.71 0.00 -1.26 -5.00 105.19 101.75 1tzy n GLY 99 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1tzy n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tzy n PHE 100 N -0.43 0.00 1.46 1.61 3.01 -1.26 -4.71 117.46 117.14 1tzy n PHE 100 Ca 0.00 -0.72 0.10 0.00 1.01 0.00 0.00 57.45 57.83 1tzy n PHE 100 Cb 0.00 -0.10 0.41 0.00 -0.01 0.00 0.00 39.48 39.77 1tzy n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tzy n GLY 101 N -0.97 -0.12 0.83 1.37 0.00 -1.26 -4.47 105.19 100.57 1tzy n GLY 101 Ca 0.09 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1tzy n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93