#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzi s VAL 14 N 0.00 1.08 -0.07 2.62 1.01 -1.26 -5.11 120.40 118.67 1tzi s VAL 14 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1tzi s VAL 14 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1tzi s VAL 14 CO 0.00 0.36 1.25 -0.69 0.00 0.00 0.00 175.10 176.01 1tzi s VAL 15 N 1.14 4.19 0.41 2.92 1.01 -1.26 -4.98 120.40 123.82 1tzi s VAL 15 Ca -0.06 1.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 1tzi s VAL 15 Cb -0.14 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 1tzi s VAL 15 CO -0.02 -0.03 1.10 -0.54 0.00 0.00 0.00 175.10 175.61 1tzi s LYS 16 N 2.56 4.06 0.19 2.72 1.02 -1.26 -4.86 119.74 124.17 1tzi s LYS 16 Ca 0.57 1.65 -0.21 0.00 0.02 0.00 0.00 55.97 58.00 1tzi s LYS 16 Cb -0.25 -2.55 0.13 0.00 -0.52 0.00 0.00 37.83 34.63 1tzi s LYS 16 CO 0.21 -0.26 1.59 0.35 -0.92 0.00 0.00 175.35 176.31 1tzi h PHE 17 N 2.46 -0.89 0.00 3.18 3.57 -2.00 -1.14 116.94 122.12 1tzi h PHE 17 Ca -0.49 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.03 1tzi h PHE 17 Cb 1.23 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1tzi h PHE 17 CO 0.56 -0.38 -0.26 0.00 -2.23 0.00 0.00 178.31 176.00 1tzi h MET 18 N -0.16 0.00 -0.12 1.11 -0.00 -1.99 -1.10 114.93 112.68 1tzi h MET 18 Ca 0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.79 1tzi h MET 18 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.14 1tzi h MET 18 CO -0.67 0.26 -0.53 -0.44 -0.00 0.00 0.00 176.91 175.53 1tzi h ASP 19 N 0.00 0.37 -0.20 -0.10 3.32 -1.62 -1.21 116.42 116.97 1tzi h ASP 19 Ca -0.00 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1tzi h ASP 19 Cb 0.52 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1tzi h ASP 19 CO 0.03 0.83 -0.20 0.58 -1.72 0.00 0.00 179.24 178.77 1tzi h VAL 20 N 0.26 1.33 -0.62 -1.35 2.07 -0.62 -2.80 116.25 114.51 1tzi h VAL 20 Ca 0.01 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1tzi h VAL 20 Cb 1.02 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1tzi h VAL 20 CO 0.09 0.41 0.15 0.22 0.02 0.00 0.00 177.57 178.46 1tzi h TYR 21 N 0.17 1.04 -0.16 1.57 3.20 -1.15 -1.24 116.97 120.40 1tzi h TYR 21 Ca 0.03 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 1tzi h TYR 21 Cb 0.74 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1tzi h TYR 21 CO 0.08 0.87 -0.44 0.37 -1.64 0.00 0.00 178.16 177.40 1tzi h GLN 22 N 0.91 0.38 0.00 1.82 4.15 -1.28 -2.13 115.11 118.96 1tzi h GLN 22 Ca 0.19 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1tzi h GLN 22 Cb 0.36 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1tzi h GLN 22 CO 0.00 0.75 -0.53 0.00 -1.93 0.00 0.00 178.83 177.12 1tzi h ARG 23 N 0.31 0.00 -0.01 1.69 3.08 -1.18 -3.32 114.38 114.95 1tzi h ARG 23 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1tzi h ARG 23 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1tzi h ARG 23 CO 0.07 0.00 -0.38 -1.13 -1.07 0.00 0.00 179.97 177.47 1tzi n SER 24 N -2.86 1.16 -4.74 7.04 3.41 -0.50 -4.97 113.62 112.16 1tzi n SER 24 Ca 0.02 -1.08 -0.41 0.00 -0.26 0.00 0.00 58.87 57.14 1tzi n SER 24 Cb 0.54 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 1tzi n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tzi s TYR 25 N -1.82 3.37 -0.05 7.33 6.14 -0.81 -2.41 117.35 129.09 1tzi s TYR 25 Ca 0.09 1.38 -0.04 0.00 0.64 0.00 0.00 57.07 59.14 1tzi s TYR 25 Cb 0.10 -3.48 -0.02 0.00 0.42 0.00 0.00 41.96 38.98 1tzi s TYR 25 CO 0.39 -1.39 0.21 0.00 0.64 0.00 0.00 175.55 175.40 1tzi s HIS 27 N 0.61 -0.36 -0.01 0.00 -3.43 -1.05 -4.78 115.29 106.27 1tzi s HIS 27 Ca 0.12 0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 54.13 1tzi s HIS 27 Cb -0.14 0.62 -0.05 0.00 -1.43 0.00 0.00 32.58 31.58 1tzi s HIS 27 CO 0.06 -0.97 1.32 -2.14 -2.00 0.00 0.00 174.74 171.02 1tzi s PRO 28 N -3.73 4.31 -0.00 -0.38 0.02 -1.26 -2.19 135.00 131.77 1tzi s PRO 28 Ca 0.06 1.86 0.03 0.00 0.02 0.00 0.00 61.00 62.97 1tzi s PRO 28 Cb -0.03 -3.55 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 1tzi s PRO 28 CO -0.04 -0.51 -0.09 -1.50 -0.33 0.00 0.00 177.00 174.53 1tzi s ILE 29 N 2.23 0.71 -0.04 2.83 1.10 -0.43 -4.82 121.20 122.77 1tzi s ILE 29 Ca 0.61 -0.43 -0.32 0.00 -0.51 0.00 0.00 60.65 60.00 1tzi s ILE 29 Cb -0.29 -0.61 -0.10 0.00 0.15 0.00 0.00 42.46 41.61 1tzi s ILE 29 CO 0.25 0.17 1.96 1.21 -2.11 0.00 0.00 174.94 176.42 1tzi n GLU 30 N 2.78 2.48 -4.39 3.50 2.13 -1.26 -1.42 120.64 124.46 1tzi n GLU 30 Ca -0.14 0.90 -0.20 0.00 0.66 0.00 0.00 57.16 58.37 1tzi n GLU 30 Cb 0.57 -2.86 -0.10 0.00 0.27 0.00 0.00 31.44 29.32 1tzi n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1tzi s THR 31 N 4.62 1.99 -0.40 6.31 2.01 0.22 -4.94 115.64 125.46 1tzi s THR 31 Ca 0.92 -2.27 0.04 0.00 0.31 0.00 0.00 61.69 60.69 1tzi s THR 31 Cb -0.55 -2.12 0.11 0.00 0.01 0.00 0.00 72.50 69.95 1tzi s THR 31 CO 0.46 -0.52 0.13 -0.76 -0.69 0.00 0.00 174.62 173.24 1tzi s LEU 32 N -3.36 4.34 0.03 4.42 1.43 -1.26 -1.07 118.68 123.21 1tzi s LEU 32 Ca 0.25 -2.40 -0.18 0.00 -1.03 0.00 0.00 54.13 50.77 1tzi s LEU 32 Cb -0.02 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 1tzi s LEU 32 CO 0.10 -0.33 0.52 -0.69 0.23 0.00 0.00 176.35 176.17 1tzi s VAL 33 N 0.57 4.87 0.52 -1.59 1.01 -0.51 -4.81 120.40 120.45 1tzi s VAL 33 Ca 0.13 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.98 1tzi s VAL 33 Cb -0.21 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1tzi s VAL 33 CO -0.06 0.53 1.33 -0.62 0.00 0.00 0.00 175.10 176.28 1tzi s ASP 34 N -0.90 5.52 0.12 3.32 2.15 -1.26 -0.93 116.67 124.69 1tzi s ASP 34 Ca 0.27 2.70 0.16 0.00 0.43 0.00 0.00 52.55 56.11 1tzi s ASP 34 Cb -0.18 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 39.72 1tzi s ASP 34 CO 0.17 -1.40 1.00 0.40 -0.17 0.00 0.00 175.17 175.17 1tzi h ILE 35 N 1.64 0.65 -0.67 4.11 2.04 -1.74 -3.24 117.51 120.31 1tzi h ILE 35 Ca -0.51 -2.13 0.09 0.00 1.00 0.00 0.00 64.86 63.31 1tzi h ILE 35 Cb 1.29 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 1tzi h ILE 35 CO 0.58 0.37 0.44 -0.26 0.00 0.00 0.00 178.15 179.29 1tzi h PHE 36 N 0.00 0.60 0.71 1.37 0.04 -1.79 -0.89 116.94 116.98 1tzi h PHE 36 Ca -0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 1tzi h PHE 36 Cb 1.55 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 39.51 1tzi h PHE 36 CO 0.00 0.30 -0.34 1.96 -0.60 0.00 0.00 178.31 179.63 1tzi h GLN 37 N 0.57 -0.92 0.00 1.51 4.20 -1.93 -3.25 115.11 115.29 1tzi h GLN 37 Ca 0.30 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1tzi h GLN 37 Cb 0.43 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1tzi h GLN 37 CO -0.10 -0.61 0.00 0.39 -0.67 0.00 0.00 178.83 177.84 1tzi n GLU 38 N -5.07 0.03 -3.63 1.46 -0.58 -1.02 -4.33 120.64 107.50 1tzi n GLU 38 Ca -0.12 0.33 -0.20 0.00 -0.42 0.00 0.00 57.16 56.75 1tzi n GLU 38 Cb 0.37 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.58 1tzi n GLU 38 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1tzi s TYR 39 N -2.90 -0.04 -0.05 -0.32 1.51 -0.37 -5.04 117.35 110.14 1tzi s TYR 39 Ca 0.05 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1tzi s TYR 39 Cb 0.05 -0.44 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1tzi s TYR 39 CO 0.14 -0.35 -0.04 -1.00 -1.11 0.00 0.00 175.55 173.19 1tzi h PRO 40 N 8.39 0.00 -0.81 -1.71 0.14 -1.76 -3.36 132.00 132.89 1tzi h PRO 40 Ca -0.14 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.79 1tzi h PRO 40 Cb 1.13 0.00 -0.12 0.00 0.14 0.00 0.00 31.00 32.15 1tzi h PRO 40 CO 0.20 0.00 0.27 -0.25 0.14 0.00 0.00 178.00 178.36 1tzi n ASP 41 N -3.13 4.39 -3.79 1.44 10.43 -1.26 -4.64 116.55 119.98 1tzi n ASP 41 Ca -0.02 -3.07 -0.42 0.00 2.57 0.00 0.00 54.79 53.86 1tzi n ASP 41 Cb 0.06 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.30 1tzi n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1tzi n GLU 42 N -0.15 3.91 0.00 -1.24 1.02 -1.26 -4.44 120.64 118.48 1tzi n GLU 42 Ca 0.37 -3.61 0.08 0.00 -0.02 0.00 0.00 57.16 53.98 1tzi n GLU 42 Cb 1.27 -2.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1tzi n GLU 42 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1tzi n ILE 43 N 2.80 0.00 0.88 -3.67 0.13 -1.26 -4.05 119.36 114.18 1tzi n ILE 43 Ca 0.43 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.84 1tzi n ILE 43 Cb 0.34 1.14 0.00 0.00 -0.84 0.00 0.00 39.64 40.27 1tzi n ILE 43 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1tzi n GLU 44 N -0.53 0.88 -3.59 9.51 4.07 -1.26 -4.84 120.64 124.88 1tzi n GLU 44 Ca 0.06 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.05 1tzi n GLU 44 Cb 0.33 -1.08 -0.04 0.00 -0.06 0.00 0.00 31.44 30.60 1tzi n GLU 44 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1tzi s TYR 45 N 0.08 -0.28 0.03 4.31 1.51 -1.26 -4.69 117.35 117.06 1tzi s TYR 45 Ca 0.00 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1tzi s TYR 45 Cb 0.00 0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 42.17 1tzi s TYR 45 CO 0.00 -0.74 -0.07 0.42 -1.11 0.00 0.00 175.55 174.04 1tzi s ILE 46 N -3.79 0.54 0.12 2.71 1.01 0.91 -4.98 121.20 117.71 1tzi s ILE 46 Ca 0.03 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1tzi s ILE 46 Cb 0.01 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1tzi s ILE 46 CO -0.12 -0.22 -0.15 -0.36 0.00 0.00 0.00 174.94 174.09 1tzi s PHE 47 N -1.00 2.61 -0.10 3.97 0.40 -1.26 -0.98 117.98 121.61 1tzi s PHE 47 Ca -0.06 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1tzi s PHE 47 Cb -0.08 -1.37 0.04 0.00 0.51 0.00 0.00 43.02 42.13 1tzi s PHE 47 CO 0.00 0.41 0.06 0.15 0.70 0.00 0.00 175.22 176.54 1tzi s LYS 48 N -2.21 0.10 0.82 0.44 -0.14 -0.78 -2.33 119.74 115.63 1tzi s LYS 48 Ca 0.19 0.12 -0.11 0.00 -1.36 0.00 0.00 55.97 54.81 1tzi s LYS 48 Cb -0.11 -1.17 0.09 0.00 -1.68 0.00 0.00 37.83 34.96 1tzi s LYS 48 CO 0.12 -0.48 1.13 -1.25 -0.76 0.00 0.00 175.35 174.11 1tzi s PRO 49 N 2.12 1.74 0.16 -1.68 0.04 -1.26 -1.57 135.00 134.55 1tzi s PRO 49 Ca 0.03 1.43 0.21 0.00 0.04 0.00 0.00 61.00 62.71 1tzi s PRO 49 Cb -0.14 -1.82 0.86 0.00 0.04 0.00 0.00 34.50 33.44 1tzi s PRO 49 CO -0.06 -2.07 1.64 -1.13 0.04 0.00 0.00 177.00 175.43 1tzi n SER 50 N -3.64 0.43 -4.21 6.66 3.41 -0.98 -4.82 113.62 110.47 1tzi n SER 50 Ca 0.11 0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1tzi n SER 50 Cb 0.52 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1tzi n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tzi s VAL 52 N -4.08 0.08 -0.51 0.00 -7.23 -0.10 -4.93 120.40 103.62 1tzi s VAL 52 Ca 0.36 -0.67 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 1tzi s VAL 52 Cb 0.07 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.57 1tzi s VAL 52 CO 0.10 -0.37 0.89 -2.16 -0.31 0.00 0.00 175.10 173.26 1tzi s PRO 53 N -1.44 3.37 -0.06 4.82 0.04 -1.26 -1.42 135.00 139.05 1tzi s PRO 53 Ca -0.14 -0.19 0.06 0.00 0.04 0.00 0.00 61.00 60.76 1tzi s PRO 53 Cb -0.07 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 1tzi s PRO 53 CO 0.02 -1.36 -0.24 -0.51 0.04 0.00 0.00 177.00 174.95 1tzi s LEU 54 N 3.72 2.12 0.22 -3.56 1.43 -0.23 -4.93 118.68 117.46 1tzi s LEU 54 Ca 0.31 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.60 1tzi s LEU 54 Cb -0.12 -1.39 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 1tzi s LEU 54 CO 0.21 0.25 1.69 -0.32 0.23 0.00 0.00 176.35 178.41 1tzi s MET 55 N -0.21 4.13 0.06 1.70 1.75 -1.26 -0.61 119.30 124.85 1tzi s MET 55 Ca -0.02 2.59 -0.25 0.00 -1.25 0.00 0.00 55.69 56.75 1tzi s MET 55 Cb -0.13 -3.07 0.06 0.00 2.84 0.00 0.00 34.83 34.53 1tzi s MET 55 CO 0.03 -0.72 0.60 1.03 -0.65 0.00 0.00 175.02 175.32 1tzi s ARG 56 N 0.81 1.14 0.06 4.11 1.81 -0.51 -1.63 118.95 124.75 1tzi s ARG 56 Ca 0.72 -0.16 -0.31 0.00 -1.72 0.00 0.00 55.73 54.26 1tzi s ARG 56 Cb -0.49 0.53 -0.06 0.00 -0.45 0.00 0.00 34.95 34.48 1tzi s ARG 56 CO 0.35 -0.43 1.23 0.00 -0.68 0.00 0.00 175.30 175.77 1tzi s GLY 58 N 1.09 0.33 0.00 0.00 0.00 -0.93 -4.94 107.32 102.88 1tzi s GLY 58 Ca 0.59 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1tzi s GLY 58 CO 0.29 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.44 1tzi n GLY 59 N -0.34 -1.98 3.61 0.20 0.00 -1.26 -2.52 105.19 102.90 1tzi n GLY 59 Ca -0.05 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 1tzi n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tzi n ASN 62 N 0.35 -6.38 0.00 0.00 3.02 -1.26 -4.97 115.26 106.03 1tzi n ASN 62 Ca 0.13 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1tzi n ASN 62 Cb 0.50 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 1tzi n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tzi n ASP 63 N -2.40 0.00 0.01 6.41 4.64 -1.26 -5.05 116.55 118.90 1tzi n ASP 63 Ca -0.10 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.33 1tzi n ASP 63 Cb 0.58 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.55 1tzi n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1tzi n GLU 64 N -0.53 0.64 -0.78 -0.67 -0.58 -1.26 -4.29 120.64 113.18 1tzi n GLU 64 Ca 0.00 0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1tzi n GLU 64 Cb 0.00 -1.70 0.14 0.00 -0.57 0.00 0.00 31.44 29.31 1tzi n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tzi n GLY 65 N 1.41 3.47 3.16 0.62 0.00 -1.26 -4.89 105.19 107.70 1tzi n GLY 65 Ca -0.12 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1tzi n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tzi s LEU 66 N -2.13 0.51 0.13 0.99 1.43 -1.26 -3.86 118.68 114.49 1tzi s LEU 66 Ca 0.38 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1tzi s LEU 66 Cb 0.31 0.99 -0.04 0.00 0.03 0.00 0.00 46.19 47.48 1tzi s LEU 66 CO 0.08 -0.14 -0.26 -1.83 0.23 0.00 0.00 176.35 174.43 1tzi s GLU 67 N 0.79 1.35 -0.21 1.70 -1.05 -1.08 -4.61 118.70 115.59 1tzi s GLU 67 Ca -0.05 -1.32 -0.17 0.00 -0.15 0.00 0.00 54.97 53.27 1tzi s GLU 67 Cb -0.06 -1.80 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 1tzi s GLU 67 CO -0.05 0.42 0.47 0.00 0.95 0.00 0.00 175.26 177.05 1tzi s VAL 69 N 1.61 0.07 0.17 0.00 -7.23 -1.03 -4.87 120.40 109.11 1tzi s VAL 69 Ca 0.21 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 1tzi s VAL 69 Cb -0.15 -0.48 -0.08 0.00 0.56 0.00 0.00 36.38 36.23 1tzi s VAL 69 CO 0.09 -0.32 1.26 -2.16 -0.31 0.00 0.00 175.10 173.66 1tzi s PRO 70 N -1.29 4.43 -0.06 4.82 0.04 -1.26 -2.69 135.00 138.99 1tzi s PRO 70 Ca -0.14 1.95 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1tzi s PRO 70 Cb -0.07 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1tzi s PRO 70 CO 0.02 -0.21 -0.04 0.25 0.04 0.00 0.00 177.00 177.07 1tzi n THR 71 N 2.89 0.34 -4.38 1.26 -2.24 -0.96 -4.98 114.28 106.22 1tzi n THR 71 Ca 0.06 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1tzi n THR 71 Cb 0.44 -0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 1tzi n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tzi s GLU 72 N -2.12 2.04 0.27 -0.78 2.12 -1.17 -5.00 118.70 114.06 1tzi s GLU 72 Ca -0.07 -1.04 -0.01 0.00 0.36 0.00 0.00 54.97 54.22 1tzi s GLU 72 Cb 0.02 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 1tzi s GLU 72 CO 0.16 0.51 0.30 -1.21 -0.54 0.00 0.00 175.26 174.48 1tzi s GLU 73 N -1.93 1.56 -0.29 4.30 2.02 -1.26 -2.50 118.70 120.59 1tzi s GLU 73 Ca 0.18 -1.71 -0.16 0.00 0.02 0.00 0.00 54.97 53.31 1tzi s GLU 73 Cb -0.11 0.35 0.17 0.00 0.10 0.00 0.00 34.13 34.65 1tzi s GLU 73 CO 0.10 -0.59 1.10 0.45 0.02 0.00 0.00 175.26 176.34 1tzi s SER 74 N -3.21 -0.31 0.01 -0.19 0.15 -0.13 -4.76 113.70 105.25 1tzi s SER 74 Ca 0.35 0.50 -0.28 0.00 0.70 0.00 0.00 55.95 57.22 1tzi s SER 74 Cb 0.03 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.44 1tzi s SER 74 CO 0.18 -0.08 0.89 0.20 1.20 0.00 0.00 173.24 175.63 1tzi s ASN 75 N 1.26 7.29 0.01 5.45 0.01 -1.26 -1.97 114.94 125.73 1tzi s ASN 75 Ca -0.08 1.55 0.06 0.00 -0.71 0.00 0.00 52.86 53.67 1tzi s ASN 75 Cb -0.03 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1tzi s ASN 75 CO -0.13 -0.16 -0.16 -0.51 -1.51 0.00 0.00 177.10 174.63 1tzi s ILE 76 N 0.68 2.94 0.02 0.60 2.07 -0.91 -4.98 121.20 121.61 1tzi s ILE 76 Ca 0.46 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.70 1tzi s ILE 76 Cb -0.21 -2.22 -0.04 0.00 0.13 0.00 0.00 42.46 40.13 1tzi s ILE 76 CO 0.25 0.41 0.02 -0.89 -1.91 0.00 0.00 174.94 172.82 1tzi s THR 77 N -0.88 4.24 -0.05 4.00 2.01 -1.26 -0.96 115.64 122.74 1tzi s THR 77 Ca 0.14 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1tzi s THR 77 Cb -0.11 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1tzi s THR 77 CO 0.04 0.31 0.15 -0.04 -0.69 0.00 0.00 174.62 174.40 1tzi s MET 78 N -1.77 0.21 -0.55 4.92 1.00 -1.09 -4.94 119.30 117.10 1tzi s MET 78 Ca 0.22 0.14 -0.28 0.00 0.00 0.00 0.00 55.69 55.77 1tzi s MET 78 Cb -0.12 0.10 0.02 0.00 0.00 0.00 0.00 34.83 34.83 1tzi s MET 78 CO 0.13 -0.03 1.32 -0.65 0.00 0.00 0.00 175.02 175.78 1tzi s GLN 79 N -0.08 3.44 0.08 2.03 -0.21 -1.26 -1.92 119.66 121.73 1tzi s GLN 79 Ca -0.02 0.44 0.09 0.00 0.02 0.00 0.00 55.36 55.89 1tzi s GLN 79 Cb -0.02 -4.06 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 1tzi s GLN 79 CO 0.00 -1.77 -0.22 0.42 -2.12 0.00 0.00 175.29 171.61 1tzi s ILE 80 N 5.48 2.55 -0.43 1.08 -1.09 -0.12 -4.91 121.20 123.77 1tzi s ILE 80 Ca 0.50 -1.41 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 1tzi s ILE 80 Cb -0.10 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 1tzi s ILE 80 CO 0.26 0.25 0.69 -0.32 -1.23 0.00 0.00 174.94 174.59 1tzi s MET 81 N -1.66 3.40 -0.90 2.79 -2.45 -0.61 -1.03 119.30 118.83 1tzi s MET 81 Ca 0.15 -0.20 -0.15 0.00 -1.25 0.00 0.00 55.69 54.24 1tzi s MET 81 Cb -0.10 -3.92 0.20 0.00 1.25 0.00 0.00 34.83 32.26 1tzi s MET 81 CO 0.06 -0.99 0.93 1.03 1.05 0.00 0.00 175.02 177.09 1tzi s ARG 82 N 2.95 3.69 0.28 4.11 0.52 -0.44 -1.87 118.95 128.20 1tzi s ARG 82 Ca 0.25 -2.37 -0.29 0.00 -0.52 0.00 0.00 55.73 52.80 1tzi s ARG 82 Cb -0.14 -4.60 -0.09 0.00 0.52 0.00 0.00 34.95 30.64 1tzi s ARG 82 CO 0.19 -1.43 1.08 0.42 0.02 0.00 0.00 175.30 175.58 1tzi s ILE 83 N 0.72 3.57 -0.49 1.52 1.01 -0.15 -3.03 121.20 124.35 1tzi s ILE 83 Ca 0.24 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.48 1tzi s ILE 83 Cb -0.08 -3.98 0.15 0.00 0.01 0.00 0.00 42.46 38.56 1tzi s ILE 83 CO -0.09 0.35 0.32 -0.75 0.00 0.00 0.00 174.94 174.77 1tzi s LYS 84 N -1.50 1.48 -0.08 2.79 2.20 0.10 -0.06 119.74 124.67 1tzi s LYS 84 Ca 0.45 -2.34 -0.38 0.00 -0.36 0.00 0.00 55.97 53.34 1tzi s LYS 84 Cb -0.30 -2.40 -0.16 0.00 -1.51 0.00 0.00 37.83 33.45 1tzi s LYS 84 CO 0.39 -1.24 1.53 -2.30 -0.36 0.00 0.00 175.35 173.37 1tzi n PRO 85 N 3.04 1.15 -0.40 4.03 -0.02 -1.26 -1.92 135.00 139.61 1tzi n PRO 85 Ca 0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1tzi n PRO 85 Cb 0.37 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1tzi n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1tzi n HIS 86 N 3.85 0.00 0.00 6.00 8.25 -1.26 -4.83 115.22 127.24 1tzi n HIS 86 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1tzi n HIS 86 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1tzi n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tzi n GLN 87 N -2.00 0.00 0.00 -0.41 6.02 -0.81 -5.17 117.38 115.01 1tzi n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tzi n GLN 87 Cb 0.00 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.21 1tzi n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tzi n GLY 88 N 3.24 2.32 3.59 1.08 0.00 -1.02 -5.05 105.19 109.34 1tzi n GLY 88 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1tzi n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tzi s GLN 89 N 1.60 0.81 -0.15 1.61 -2.07 -1.26 -0.72 119.66 119.48 1tzi s GLN 89 Ca 0.00 0.54 -0.26 0.00 -1.82 0.00 0.00 55.36 53.82 1tzi s GLN 89 Cb 0.00 0.39 0.07 0.00 -1.09 0.00 0.00 33.01 32.37 1tzi s GLN 89 CO 0.00 -0.18 0.66 -3.38 -1.32 0.00 0.00 175.29 171.07 1tzi s HIS 90 N -0.41 -0.68 -0.11 9.60 -3.43 -1.17 -5.01 115.29 114.09 1tzi s HIS 90 Ca -0.03 1.42 -0.29 0.00 -0.80 0.00 0.00 55.06 55.36 1tzi s HIS 90 Cb -0.03 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1tzi s HIS 90 CO 0.03 -0.47 1.48 0.42 -2.00 0.00 0.00 174.74 174.20 1tzi s ILE 91 N -0.43 3.89 0.32 -5.38 -1.09 -1.26 -1.33 121.20 115.93 1tzi s ILE 91 Ca -0.06 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1tzi s ILE 91 Cb -0.03 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 37.09 1tzi s ILE 91 CO 0.05 -0.10 0.05 -0.83 -1.23 0.00 0.00 174.94 172.88 1tzi s GLY 92 N 2.76 2.04 0.16 6.18 0.00 -0.20 -4.97 107.32 113.29 1tzi s GLY 92 Ca 0.65 -2.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.25 1tzi s GLY 92 CO 0.23 -1.81 0.46 -0.54 0.00 0.00 0.00 173.10 171.44 1tzi s GLU 93 N -3.88 3.75 -0.25 2.90 2.02 -1.26 -0.95 118.70 121.04 1tzi s GLU 93 Ca 0.36 0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.48 1tzi s GLU 93 Cb 0.08 -2.81 0.13 0.00 0.10 0.00 0.00 34.13 31.64 1tzi s GLU 93 CO 0.15 0.43 0.35 -1.64 0.02 0.00 0.00 175.26 174.57 1tzi s MET 94 N -2.51 0.33 0.23 1.61 -1.94 -0.81 -4.94 119.30 111.27 1tzi s MET 94 Ca 0.42 0.36 -0.24 0.00 -1.71 0.00 0.00 55.69 54.52 1tzi s MET 94 Cb -0.12 -0.59 -0.09 0.00 2.01 0.00 0.00 34.83 36.04 1tzi s MET 94 CO 0.21 -0.73 0.81 -1.54 -0.01 0.00 0.00 175.02 173.76 1tzi s SER 95 N 2.49 7.29 0.11 3.03 1.04 -1.26 -2.66 113.70 123.73 1tzi s SER 95 Ca 0.11 1.64 0.07 0.00 0.48 0.00 0.00 55.95 58.25 1tzi s SER 95 Cb -0.15 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1tzi s SER 95 CO -0.19 0.08 -0.16 -0.36 0.98 0.00 0.00 173.24 173.59 1tzi s PHE 96 N -1.39 1.50 0.20 5.02 0.08 -0.14 -4.99 117.98 118.26 1tzi s PHE 96 Ca 0.42 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.69 1tzi s PHE 96 Cb -0.20 -0.81 -0.08 0.00 -0.57 0.00 0.00 43.02 41.36 1tzi s PHE 96 CO 0.24 0.16 1.11 -1.17 -0.10 0.00 0.00 175.22 175.46 1tzi s LEU 97 N -2.14 4.50 -0.07 -0.37 2.96 -1.26 -2.15 118.68 120.15 1tzi s LEU 97 Ca 0.06 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 1tzi s LEU 97 Cb -0.08 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1tzi s LEU 97 CO 0.04 -0.22 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.67 1tzi s GLN 98 N -0.55 1.23 -0.24 1.98 -0.21 -0.83 -4.85 119.66 116.18 1tzi s GLN 98 Ca 0.49 -0.21 -0.27 0.00 0.02 0.00 0.00 55.36 55.38 1tzi s GLN 98 Cb -0.30 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.53 1tzi s GLN 98 CO 0.36 -0.10 0.97 -1.01 -2.12 0.00 0.00 175.29 173.39 1tzi s HIS 99 N 1.09 3.32 -0.10 0.91 3.76 -0.64 -0.96 115.29 122.67 1tzi s HIS 99 Ca -0.08 1.34 0.21 0.00 -0.15 0.00 0.00 55.06 56.38 1tzi s HIS 99 Cb -0.14 -3.22 -0.25 0.00 1.11 0.00 0.00 32.58 30.08 1tzi s HIS 99 CO -0.01 -0.47 0.54 0.09 -0.85 0.00 0.00 174.74 174.05 1tzi n ASN 100 N 6.24 0.23 -3.72 1.40 4.13 -1.04 -4.40 115.26 118.10 1tzi n ASN 100 Ca 0.10 0.09 -0.13 0.00 1.68 0.00 0.00 54.58 56.32 1tzi n ASN 100 Cb 0.47 1.39 -0.10 0.00 -1.54 0.00 0.00 39.78 40.00 1tzi n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1tzi s LYS 101 N -3.27 0.52 0.32 3.52 1.02 -1.19 -4.90 119.74 115.75 1tzi s LYS 101 Ca -0.07 0.57 0.09 0.00 0.02 0.00 0.00 55.97 56.59 1tzi s LYS 101 Cb 0.11 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.62 1tzi s LYS 101 CO 0.87 -0.07 -0.10 0.00 -0.92 0.00 0.00 175.35 175.13 1tzi s GLU 103 N -3.63 0.73 -0.91 0.00 2.12 -1.10 -4.90 118.70 111.02 1tzi s GLU 103 Ca 0.31 0.91 -0.20 0.00 0.36 0.00 0.00 54.97 56.35 1tzi s GLU 103 Cb 0.02 0.34 0.11 0.00 0.26 0.00 0.00 34.13 34.85 1tzi s GLU 103 CO 0.15 -0.09 1.17 0.00 -0.54 0.00 0.00 175.26 175.95 1tzi s ARG 105 N 3.33 2.72 0.24 0.00 1.81 -1.11 -4.91 118.95 121.03 1tzi s ARG 105 Ca 0.34 -0.48 -0.30 0.00 -1.72 0.00 0.00 55.73 53.58 1tzi s ARG 105 Cb -0.05 -2.43 -0.09 0.00 -0.45 0.00 0.00 34.95 31.93 1tzi s ARG 105 CO -0.07 -0.65 1.09 -2.14 -0.68 0.00 0.00 175.30 172.85 1tzi s PRO 106 N -4.81 4.64 0.25 3.54 0.02 -1.26 -2.63 135.00 134.75 1tzi s PRO 106 Ca 0.54 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 1tzi s PRO 106 Cb -0.10 -3.22 -0.15 0.00 0.02 0.00 0.00 34.50 31.04 1tzi s PRO 106 CO 0.40 0.19 0.87 1.63 -0.33 0.00 0.00 177.00 179.77 1tzi n LYS 107 N 1.59 0.90 -1.53 5.54 5.02 -1.25 -4.66 118.16 123.78 1tzi n LYS 107 Ca 0.00 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 1tzi n LYS 107 Cb 0.45 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1tzi n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tzi n LYS 108 N 0.91 1.03 -0.52 1.97 4.76 -1.26 -5.05 118.16 120.00 1tzi n LYS 108 Ca 0.13 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1tzi n LYS 108 Cb 0.29 -2.94 0.00 0.00 -1.84 0.00 0.00 35.03 30.54 1tzi n LYS 108 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78