#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tg6 n LEU 2 N 0.00 0.00 -0.77 2.45 4.32 -1.26 -4.73 117.00 117.01 1tg6 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1tg6 n LEU 2 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1tg6 n LEU 2 CO 0.00 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 175.79 1tg6 n ILE 3 N 0.00 0.00 -1.32 -0.08 5.41 -1.26 -5.01 119.36 117.10 1tg6 n ILE 3 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1tg6 n ILE 3 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1tg6 n ILE 3 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1tg6 n PRO 4 N -0.30 0.08 -3.76 0.38 -0.02 -1.26 -4.53 135.00 125.58 1tg6 n PRO 4 Ca 0.00 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.30 1tg6 n PRO 4 Cb 0.00 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1tg6 n PRO 4 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1tg6 s ILE 5 N -1.67 3.61 0.00 4.25 -4.36 -1.26 -0.28 121.20 121.49 1tg6 s ILE 5 Ca 0.60 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.68 1tg6 s ILE 5 Cb -0.63 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 39.87 1tg6 s ILE 5 CO 0.62 -0.17 0.00 1.33 0.24 0.00 0.00 174.94 176.96 1tg6 n VAL 6 N -1.41 0.00 1.63 8.37 0.24 -1.26 -4.76 118.33 121.13 1tg6 n VAL 6 Ca -0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.43 1tg6 n VAL 6 Cb 0.59 0.00 0.82 0.00 -1.47 0.00 0.00 33.84 33.78 1tg6 n VAL 6 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1tg6 n VAL 7 N 0.00 0.03 0.00 3.34 0.31 -1.26 -4.93 118.33 115.81 1tg6 n VAL 7 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1tg6 n VAL 7 Cb 0.00 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1tg6 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tg6 n TYR 17 N -1.14 0.00 -3.51 3.52 -0.00 -1.26 -5.07 117.16 109.70 1tg6 n TYR 17 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.73 1tg6 n TYR 17 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.45 1tg6 n TYR 17 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1tg6 s ASP 18 N -1.00 6.72 0.29 2.98 3.68 -1.26 -4.16 116.67 123.91 1tg6 s ASP 18 Ca 0.00 0.90 0.03 0.00 2.13 0.00 0.00 52.55 55.61 1tg6 s ASP 18 Cb 0.00 -2.22 0.69 0.00 -1.45 0.00 0.00 42.92 39.95 1tg6 s ASP 18 CO 0.00 0.19 1.72 -0.29 0.13 0.00 0.00 175.17 176.91 1tg6 h ILE 19 N 3.01 0.55 -0.20 4.11 6.09 -0.88 -0.00 117.51 130.19 1tg6 h ILE 19 Ca -0.49 -0.17 -0.17 0.00 -1.37 0.00 0.00 64.86 62.66 1tg6 h ILE 19 Cb 1.20 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1tg6 h ILE 19 CO 0.65 0.09 -0.53 1.88 -3.07 0.00 0.00 178.15 177.17 1tg6 h TYR 20 N 0.49 0.92 -0.58 2.19 0.05 -1.95 -2.90 116.97 115.18 1tg6 h TYR 20 Ca 0.54 -0.36 0.06 0.00 0.05 0.00 0.00 58.73 59.03 1tg6 h TYR 20 Cb 0.97 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.51 1tg6 h TYR 20 CO -0.11 1.16 0.39 0.77 -1.05 0.00 0.00 178.16 179.32 1tg6 h SER 21 N 0.42 0.49 0.75 3.88 0.02 -1.46 0.08 113.55 117.73 1tg6 h SER 21 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1tg6 h SER 21 Cb 1.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1tg6 h SER 21 CO 0.12 0.32 -0.50 -0.09 -1.14 0.00 0.00 176.83 175.54 1tg6 h ARG 22 N 0.56 0.00 -0.00 3.45 2.43 -1.14 -2.79 114.38 116.89 1tg6 h ARG 22 Ca 0.25 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1tg6 h ARG 22 Cb 0.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1tg6 h ARG 22 CO -0.07 0.50 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.16 1tg6 h LEU 23 N 0.00 0.01 -1.19 3.80 3.38 -0.80 -2.82 115.31 117.68 1tg6 h LEU 23 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1tg6 h LEU 23 Cb 1.01 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1tg6 h LEU 23 CO 0.06 0.66 0.11 0.25 0.09 0.00 0.00 178.44 179.61 1tg6 h LEU 24 N 0.01 0.61 -2.00 1.67 5.85 -1.08 -1.07 115.31 119.29 1tg6 h LEU 24 Ca -0.01 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1tg6 h LEU 24 Cb 1.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1tg6 h LEU 24 CO 0.09 0.62 0.32 0.03 -0.34 0.00 0.00 178.44 179.15 1tg6 h ARG 25 N 0.65 0.00 -0.66 1.25 3.08 -1.44 0.37 114.38 117.62 1tg6 h ARG 25 Ca 0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1tg6 h ARG 25 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1tg6 h ARG 25 CO -0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 1tg6 n GLU 26 N -4.40 3.46 -3.51 0.04 -0.58 -0.45 -4.91 120.64 110.28 1tg6 n GLU 26 Ca 0.08 -2.20 -0.22 0.00 -0.42 0.00 0.00 57.16 54.40 1tg6 n GLU 26 Cb 0.52 -1.91 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 1tg6 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1tg6 n ARG 27 N 0.60 -7.39 -3.96 3.49 1.74 0.13 -4.84 116.66 106.43 1tg6 n ARG 27 Ca 0.20 0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 57.71 1tg6 n ARG 27 Cb 0.82 -5.67 -0.14 0.00 -1.02 0.00 0.00 32.46 26.45 1tg6 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tg6 s ILE 28 N -3.30 2.95 -0.17 0.55 1.01 -0.94 -0.65 121.20 120.64 1tg6 s ILE 28 Ca 0.51 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1tg6 s ILE 28 Cb -0.22 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1tg6 s ILE 28 CO 0.68 0.34 -0.02 -0.69 0.00 0.00 0.00 174.94 175.25 1tg6 s VAL 29 N 1.38 3.99 -0.24 2.92 1.01 0.95 -3.73 120.40 126.68 1tg6 s VAL 29 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1tg6 s VAL 29 Cb -0.15 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1tg6 s VAL 29 CO -0.05 0.47 0.18 0.00 0.00 0.00 0.00 175.10 175.69 1tg6 s VAL 31 N 1.07 3.76 -0.03 0.00 1.01 -0.26 -4.95 120.40 121.00 1tg6 s VAL 31 Ca 0.08 -2.02 0.07 0.00 0.00 0.00 0.00 61.98 60.11 1tg6 s VAL 31 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1tg6 s VAL 31 CO 0.05 -0.75 -0.25 -0.04 0.00 0.00 0.00 175.10 174.11 1tg6 s MET 32 N 1.12 2.11 1.15 2.72 1.00 -1.26 -2.13 119.30 124.01 1tg6 s MET 32 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 55.69 54.88 1tg6 s MET 32 Cb -0.24 -1.98 0.00 0.00 0.00 0.00 0.00 34.83 32.61 1tg6 s MET 32 CO -0.03 0.50 0.00 0.41 0.00 0.00 0.00 175.02 175.90 1tg6 n GLY 33 N 2.57 -1.68 3.59 -0.03 0.00 -0.93 -4.85 105.19 103.86 1tg6 n GLY 33 Ca -0.16 -1.26 -0.47 0.00 0.00 0.00 0.00 46.02 44.14 1tg6 n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tg6 n PRO 34 N -1.33 1.32 -3.27 1.61 -0.02 -1.26 -4.38 135.00 127.67 1tg6 n PRO 34 Ca 0.00 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1tg6 n PRO 34 Cb 0.08 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1tg6 n PRO 34 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1tg6 s ILE 35 N -0.53 5.05 0.33 4.25 1.01 0.36 -4.86 121.20 126.82 1tg6 s ILE 35 Ca 0.67 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.81 1tg6 s ILE 35 Cb -0.77 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 1tg6 s ILE 35 CO 0.55 -0.12 0.23 -0.90 0.00 0.00 0.00 174.94 174.69 1tg6 n ASP 36 N 5.64 -0.11 -0.35 3.58 3.85 -1.26 0.74 116.55 128.64 1tg6 n ASP 36 Ca -0.05 -3.04 0.10 0.00 -0.71 0.00 0.00 54.79 51.09 1tg6 n ASP 36 Cb 0.49 1.38 0.28 0.00 -1.35 0.00 0.00 41.12 41.92 1tg6 n ASP 36 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1tg6 h ASP 37 N 1.79 0.84 -0.28 -1.12 3.45 -1.94 0.13 116.42 119.29 1tg6 h ASP 37 Ca -0.24 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 1tg6 h ASP 37 Cb 1.12 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 1tg6 h ASP 37 CO 0.36 0.37 0.09 0.28 -1.57 0.00 0.00 179.24 178.77 1tg6 h SER 38 N 0.87 0.41 -0.52 6.45 0.02 -1.98 -1.10 113.55 117.69 1tg6 h SER 38 Ca 0.54 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.17 1tg6 h SER 38 Cb 0.70 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1tg6 h SER 38 CO -0.33 0.51 -0.10 0.58 -1.14 0.00 0.00 176.83 176.35 1tg6 h VAL 39 N 0.30 1.27 -0.00 2.27 2.07 -1.63 -2.70 116.25 117.81 1tg6 h VAL 39 Ca 0.09 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1tg6 h VAL 39 Cb 0.24 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1tg6 h VAL 39 CO -0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.03 1tg6 h ALA 40 N 0.97 0.00 -0.50 1.67 0.00 -0.65 -0.67 119.26 120.08 1tg6 h ALA 40 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1tg6 h ALA 40 Cb 0.66 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1tg6 h ALA 40 CO 0.05 -0.42 0.29 0.66 0.00 0.00 0.00 179.25 179.83 1tg6 h SER 41 N -0.15 0.47 -0.28 0.00 4.64 -1.21 0.23 113.55 117.24 1tg6 h SER 41 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1tg6 h SER 41 Cb 0.15 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1tg6 h SER 41 CO -0.00 0.33 0.17 0.25 -0.87 0.00 0.00 176.83 176.71 1tg6 h LEU 42 N 0.58 0.34 -0.83 5.97 5.85 -1.39 -0.27 115.31 125.57 1tg6 h LEU 42 Ca 0.21 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1tg6 h LEU 42 Cb 0.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1tg6 h LEU 42 CO -0.10 0.28 0.28 0.58 -0.34 0.00 0.00 178.44 179.14 1tg6 h VAL 43 N 0.37 1.26 -0.29 1.05 2.07 -0.61 -2.21 116.25 117.88 1tg6 h VAL 43 Ca 0.10 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1tg6 h VAL 43 Cb 0.00 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1tg6 h VAL 43 CO -0.02 0.34 0.06 0.40 0.02 0.00 0.00 177.57 178.37 1tg6 h ILE 44 N 1.11 1.23 -0.16 4.57 2.04 -0.24 -0.62 117.51 125.44 1tg6 h ILE 44 Ca 0.25 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1tg6 h ILE 44 Cb 0.24 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1tg6 h ILE 44 CO -0.02 0.25 -0.13 0.00 0.00 0.00 0.00 178.15 178.25 1tg6 h ALA 45 N 0.89 -0.01 -0.30 1.87 0.00 -0.87 0.21 119.26 121.04 1tg6 h ALA 45 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1tg6 h ALA 45 Cb 0.32 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1tg6 h ALA 45 CO 0.00 -0.57 0.06 1.96 0.00 0.00 0.00 179.25 180.70 1tg6 h GLN 46 N -0.14 0.16 -0.20 0.00 4.20 -1.25 0.31 115.11 118.19 1tg6 h GLN 46 Ca 0.10 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1tg6 h GLN 46 Cb 0.29 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1tg6 h GLN 46 CO -0.25 0.11 -0.00 -0.07 -0.67 0.00 0.00 178.83 177.94 1tg6 h LEU 47 N 0.17 -0.08 0.17 1.46 3.38 -0.37 -0.13 115.31 119.89 1tg6 h LEU 47 Ca 0.14 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1tg6 h LEU 47 Cb 0.15 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1tg6 h LEU 47 CO -0.18 -0.02 -0.18 -0.07 0.09 0.00 0.00 178.44 178.08 1tg6 h LEU 48 N 0.06 -0.49 -0.48 1.67 3.38 -0.12 -2.27 115.31 117.06 1tg6 h LEU 48 Ca 0.10 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1tg6 h LEU 48 Cb 0.12 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 1tg6 h LEU 48 CO -0.16 -0.27 -0.33 0.15 0.09 0.00 0.00 178.44 177.91 1tg6 h PHE 49 N -0.39 -0.91 0.00 1.13 3.57 0.07 0.23 116.94 120.64 1tg6 h PHE 49 Ca 0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1tg6 h PHE 49 Cb 0.37 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1tg6 h PHE 49 CO -0.15 -0.38 0.00 -0.07 -2.23 0.00 0.00 178.31 175.48 1tg6 h LEU 50 N -0.21 0.00 -0.05 0.59 3.38 -0.84 -1.91 115.31 116.27 1tg6 h LEU 50 Ca 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1tg6 h LEU 50 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1tg6 h LEU 50 CO -0.60 0.00 -0.82 -0.61 0.09 0.00 0.00 178.44 176.51 1tg6 h GLN 51 N 0.00 0.65 0.00 1.13 4.15 0.04 -3.03 115.11 118.05 1tg6 h GLN 51 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.80 1tg6 h GLN 51 Cb 0.11 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1tg6 h GLN 51 CO 0.00 1.23 0.00 0.43 -1.93 0.00 0.00 178.83 178.56 1tg6 n SER 52 N -4.00 0.00 -0.41 -0.69 7.64 -0.72 -2.15 113.62 113.29 1tg6 n SER 52 Ca -0.10 0.63 0.36 0.00 1.01 0.00 0.00 58.87 60.77 1tg6 n SER 52 Cb 0.77 -0.13 0.61 0.00 -1.01 0.00 0.00 64.21 64.45 1tg6 n SER 52 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tg6 n GLU 53 N -1.08 -0.04 -3.61 1.43 1.02 -1.20 -4.12 120.64 113.05 1tg6 n GLU 53 Ca 0.00 1.19 -0.03 0.00 -0.02 0.00 0.00 57.16 58.30 1tg6 n GLU 53 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.08 1tg6 n GLU 53 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1tg6 s SER 54 N -4.34 -0.90 0.00 1.62 0.15 -1.06 -5.01 113.70 104.15 1tg6 s SER 54 Ca -0.07 1.34 0.26 0.00 0.70 0.00 0.00 55.95 58.18 1tg6 s SER 54 Cb 0.29 2.02 0.76 0.00 -1.71 0.00 0.00 66.02 67.38 1tg6 s SER 54 CO 0.75 -0.23 1.58 -3.20 1.20 0.00 0.00 173.24 173.34 1tg6 n ASN 55 N 5.43 2.01 -0.03 5.45 5.15 -0.91 -4.08 115.26 128.29 1tg6 n ASN 55 Ca -0.10 -1.68 -0.03 0.00 -0.60 0.00 0.00 54.58 52.17 1tg6 n ASN 55 Cb 0.49 -0.02 -0.03 0.00 -0.53 0.00 0.00 39.78 39.70 1tg6 n ASN 55 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1tg6 n LYS 56 N 0.57 0.85 -1.68 1.20 5.02 -1.26 -3.76 118.16 119.10 1tg6 n LYS 56 Ca 0.17 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 1tg6 n LYS 56 Cb 0.43 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 1tg6 n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tg6 n LYS 57 N -2.54 2.83 -1.75 1.97 5.02 -1.26 -4.41 118.16 118.02 1tg6 n LYS 57 Ca -0.09 1.03 -0.40 0.00 -2.02 0.00 0.00 58.31 56.83 1tg6 n LYS 57 Cb 0.61 -2.95 0.01 0.00 -0.02 0.00 0.00 35.03 32.69 1tg6 n LYS 57 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1tg6 n PRO 58 N 6.18 2.24 -4.09 1.97 -0.04 -1.26 -4.53 135.00 135.46 1tg6 n PRO 58 Ca 0.19 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 64.08 1tg6 n PRO 58 Cb 0.38 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.20 1tg6 n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1tg6 s ILE 59 N -1.18 5.01 -0.24 0.52 1.01 0.64 -4.93 121.20 122.02 1tg6 s ILE 59 Ca 0.60 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 1tg6 s ILE 59 Cb -0.47 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1tg6 s ILE 59 CO 0.59 0.61 0.09 -1.00 0.00 0.00 0.00 174.94 175.23 1tg6 s HIS 60 N -0.97 3.14 -0.31 3.97 3.76 0.17 -0.92 115.29 124.13 1tg6 s HIS 60 Ca 0.14 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1tg6 s HIS 60 Cb -0.12 -2.23 0.05 0.00 1.11 0.00 0.00 32.58 31.39 1tg6 s HIS 60 CO 0.03 -0.21 0.03 1.41 -0.85 0.00 0.00 174.74 175.15 1tg6 s MET 61 N 1.37 2.46 -0.15 1.40 1.75 -0.21 -0.04 119.30 125.89 1tg6 s MET 61 Ca 0.06 -1.26 -0.19 0.00 -1.25 0.00 0.00 55.69 53.04 1tg6 s MET 61 Cb -0.15 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.24 1tg6 s MET 61 CO 0.05 -0.64 0.55 0.71 -0.65 0.00 0.00 175.02 175.04 1tg6 s TYR 62 N 1.28 3.45 -0.13 4.11 2.02 -0.51 -1.19 117.35 126.39 1tg6 s TYR 62 Ca -0.04 0.91 0.02 0.00 -0.37 0.00 0.00 57.07 57.59 1tg6 s TYR 62 Cb -0.20 -2.67 0.01 0.00 -0.40 0.00 0.00 41.96 38.70 1tg6 s TYR 62 CO -0.00 0.01 -0.20 0.42 -1.57 0.00 0.00 175.55 174.21 1tg6 s ILE 63 N 1.22 1.87 -0.33 2.71 1.01 0.87 -1.10 121.20 127.45 1tg6 s ILE 63 Ca 0.27 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1tg6 s ILE 63 Cb -0.16 -1.67 0.14 0.00 0.01 0.00 0.00 42.46 40.78 1tg6 s ILE 63 CO 0.11 0.51 0.30 0.21 0.00 0.00 0.00 174.94 176.07 1tg6 s ASN 64 N 0.87 1.89 -0.05 3.58 2.47 -0.91 -0.17 114.94 122.63 1tg6 s ASN 64 Ca -0.07 -1.39 -0.10 0.00 0.42 0.00 0.00 52.86 51.72 1tg6 s ASN 64 Cb -0.15 0.28 0.02 0.00 -1.45 0.00 0.00 41.25 39.95 1tg6 s ASN 64 CO -0.02 -0.33 0.24 -0.55 -3.72 0.00 0.00 177.10 172.72 1tg6 s SER 65 N 1.74 -0.17 0.00 -4.21 0.15 -0.23 -2.18 113.70 108.79 1tg6 s SER 65 Ca 0.14 0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.28 1tg6 s SER 65 Cb -0.16 0.39 1.00 0.00 -1.71 0.00 0.00 66.02 65.53 1tg6 s SER 65 CO -0.16 -0.26 1.72 -0.81 1.20 0.00 0.00 173.24 174.94 1tg6 n PRO 66 N 2.11 0.59 0.00 5.44 -0.04 -1.26 -1.80 135.00 140.04 1tg6 n PRO 66 Ca -0.18 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1tg6 n PRO 66 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1tg6 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tg6 n GLY 67 N 1.34 0.50 0.00 0.55 0.00 -1.14 -4.39 105.19 102.05 1tg6 n GLY 67 Ca 0.12 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1tg6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tg6 n GLY 68 N 0.00 -0.51 3.73 -0.02 0.00 -1.26 0.14 105.19 107.27 1tg6 n GLY 68 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1tg6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tg6 s VAL 69 N -3.26 3.12 0.09 1.61 1.01 0.23 -4.81 120.40 118.39 1tg6 s VAL 69 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.56 1tg6 s VAL 69 Cb 0.00 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 1tg6 s VAL 69 CO 0.00 0.12 1.62 0.58 0.00 0.00 0.00 175.10 177.42 1tg6 h VAL 70 N 3.83 0.31 -0.83 2.92 2.07 -1.98 -1.17 116.25 121.40 1tg6 h VAL 70 Ca -0.44 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1tg6 h VAL 70 Cb 1.21 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1tg6 h VAL 70 CO 0.80 0.00 0.55 0.71 0.02 0.00 0.00 177.57 179.64 1tg6 h THR 71 N -0.76 1.14 -0.73 2.57 1.35 -1.98 0.26 112.91 114.75 1tg6 h THR 71 Ca -0.04 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 1tg6 h THR 71 Cb 0.66 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 1tg6 h THR 71 CO -0.00 0.19 0.35 0.00 -0.25 0.00 0.00 175.52 175.81 1tg6 h ALA 72 N 1.51 0.94 -0.44 6.62 0.00 -1.86 -0.00 119.26 126.03 1tg6 h ALA 72 Ca 0.33 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1tg6 h ALA 72 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1tg6 h ALA 72 CO -0.10 0.50 -0.23 0.78 0.00 0.00 0.00 179.25 180.20 1tg6 h GLY 73 N 1.02 0.98 2.00 0.00 0.00 -0.11 -2.78 103.07 104.18 1tg6 h GLY 73 Ca 0.25 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1tg6 h GLY 73 CO -0.03 0.79 -0.32 1.41 0.00 0.00 0.00 176.54 178.39 1tg6 h LEU 74 N 0.78 0.00 -0.44 3.11 3.38 -0.57 0.39 115.31 121.96 1tg6 h LEU 74 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1tg6 h LEU 74 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1tg6 h LEU 74 CO 0.07 0.32 0.06 0.00 0.09 0.00 0.00 178.44 178.98 1tg6 h ALA 75 N 1.68 0.59 -0.29 1.53 0.00 -0.74 -0.15 119.26 121.88 1tg6 h ALA 75 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1tg6 h ALA 75 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1tg6 h ALA 75 CO 0.04 0.32 -0.10 0.82 0.00 0.00 0.00 179.25 180.33 1tg6 h ILE 76 N 0.60 1.29 -0.09 0.00 2.04 -1.18 -2.62 117.51 117.54 1tg6 h ILE 76 Ca 0.13 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.87 1tg6 h ILE 76 Cb 0.40 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1tg6 h ILE 76 CO 0.01 0.37 -0.15 0.22 0.00 0.00 0.00 178.15 178.60 1tg6 h TYR 77 N 0.33 -0.40 -0.42 1.37 3.20 -0.71 -0.69 116.97 119.65 1tg6 h TYR 77 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1tg6 h TYR 77 Cb 0.60 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1tg6 h TYR 77 CO 0.06 -0.22 0.23 -0.44 -1.64 0.00 0.00 178.16 176.14 1tg6 h ASP 78 N -0.21 0.51 -0.03 -2.11 3.32 -1.03 -1.61 116.42 115.25 1tg6 h ASP 78 Ca 0.08 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1tg6 h ASP 78 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1tg6 h ASP 78 CO -0.21 0.42 -0.46 0.74 -1.72 0.00 0.00 179.24 178.00 1tg6 h THR 79 N 0.58 1.31 -0.72 0.35 2.02 -1.03 0.15 112.91 115.56 1tg6 h THR 79 Ca 0.15 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.64 1tg6 h THR 79 Cb 0.02 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1tg6 h THR 79 CO -0.02 0.52 0.33 0.24 0.37 0.00 0.00 175.52 176.96 1tg6 h MET 80 N 0.47 1.04 0.07 6.66 2.86 -0.24 -2.12 114.93 123.66 1tg6 h MET 80 Ca 0.03 -0.15 -0.24 0.00 -2.06 0.00 0.00 59.70 57.27 1tg6 h MET 80 Cb 0.98 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1tg6 h MET 80 CO 0.09 0.81 -1.12 1.96 1.06 0.00 0.00 176.91 179.71 1tg6 h GLN 81 N 1.03 0.17 0.68 1.72 1.08 -1.07 -3.37 115.11 115.35 1tg6 h GLN 81 Ca 0.25 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1tg6 h GLN 81 Cb 0.12 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1tg6 h GLN 81 CO -0.03 1.12 -0.33 -0.92 -0.95 0.00 0.00 178.83 177.72 1tg6 h TYR 82 N 0.05 -0.85 -3.48 2.96 3.20 -0.37 -3.44 116.97 115.04 1tg6 h TYR 82 Ca -0.08 -0.02 -0.56 0.00 3.14 0.00 0.00 58.73 61.21 1tg6 h TYR 82 Cb 1.86 0.28 0.18 0.00 1.54 0.00 0.00 36.73 40.58 1tg6 h TYR 82 CO 0.04 -0.53 -0.08 0.44 -1.64 0.00 0.00 178.16 176.39 1tg6 n ILE 83 N -5.05 2.78 0.12 1.81 -5.35 -0.83 -4.91 119.36 107.93 1tg6 n ILE 83 Ca -0.11 -0.43 0.07 0.00 -0.27 0.00 0.00 62.75 62.00 1tg6 n ILE 83 Cb 0.36 -0.97 0.02 0.00 -1.74 0.00 0.00 39.64 37.31 1tg6 n ILE 83 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1tg6 h LEU 84 N -0.03 0.00 -9.64 7.28 3.38 -1.86 -3.48 115.31 110.96 1tg6 h LEU 84 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 1tg6 h LEU 84 Cb 1.36 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.22 1tg6 h LEU 84 CO 0.47 0.25 0.27 0.59 0.09 0.00 0.00 178.44 180.11 1tg6 n ASN 85 N -2.94 1.77 -4.78 -0.43 4.13 -1.25 -4.94 115.26 106.82 1tg6 n ASN 85 Ca -0.01 1.12 -0.33 0.00 1.68 0.00 0.00 54.58 57.04 1tg6 n ASN 85 Cb 0.66 -1.38 0.02 0.00 -1.54 0.00 0.00 39.78 37.53 1tg6 n ASN 85 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1tg6 s PRO 86 N -1.88 3.16 -0.11 3.52 0.02 -1.26 -4.83 135.00 133.62 1tg6 s PRO 86 Ca 0.60 1.36 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 1tg6 s PRO 86 Cb -0.59 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 31.96 1tg6 s PRO 86 CO 0.59 -0.96 -0.01 0.42 -0.33 0.00 0.00 177.00 176.71 1tg6 s ILE 87 N -2.25 0.56 -0.34 2.83 1.01 -1.26 -0.26 121.20 121.49 1tg6 s ILE 87 Ca 0.67 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 1tg6 s ILE 87 Cb -0.19 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1tg6 s ILE 87 CO 0.36 0.17 0.48 0.00 0.00 0.00 0.00 174.94 175.94 1tg6 s THR 89 N 2.30 5.22 -0.08 0.00 -4.23 -0.57 -1.04 115.64 117.24 1tg6 s THR 89 Ca 0.17 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1tg6 s THR 89 Cb -0.16 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1tg6 s THR 89 CO 0.13 0.39 -0.07 0.26 -0.54 0.00 0.00 174.62 174.78 1tg6 s TRP 90 N -1.28 1.20 -0.41 3.99 0.52 -0.33 0.29 118.94 122.93 1tg6 s TRP 90 Ca 0.28 -0.49 -0.22 0.00 0.02 0.00 0.00 56.10 55.69 1tg6 s TRP 90 Cb -0.14 -1.00 0.02 0.00 -1.15 0.00 0.00 33.47 31.20 1tg6 s TRP 90 CO 0.15 -0.35 0.71 0.00 0.02 0.00 0.00 176.95 177.48 1tg6 s VAL 92 N 2.99 2.79 0.00 0.00 1.01 0.76 -2.39 120.40 125.57 1tg6 s VAL 92 Ca 0.27 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1tg6 s VAL 92 Cb -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1tg6 s VAL 92 CO 0.19 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1tg6 n GLY 93 N 4.62 2.05 3.34 4.51 0.00 -1.26 -3.89 105.19 114.57 1tg6 n GLY 93 Ca -0.19 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1tg6 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tg6 s GLN 94 N 0.00 0.96 -0.34 1.61 -2.07 -1.26 -1.76 119.66 116.80 1tg6 s GLN 94 Ca 0.00 -0.33 -0.01 0.00 -1.82 0.00 0.00 55.36 53.20 1tg6 s GLN 94 Cb 0.00 0.43 0.13 0.00 -1.09 0.00 0.00 33.01 32.47 1tg6 s GLN 94 CO 0.00 -0.33 0.18 0.00 -1.32 0.00 0.00 175.29 173.82 1tg6 s ALA 95 N -2.47 0.94 0.13 2.60 0.00 -0.69 -1.07 121.76 121.20 1tg6 s ALA 95 Ca -0.05 -1.66 0.09 0.00 0.00 0.00 0.00 51.96 50.34 1tg6 s ALA 95 Cb -0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1tg6 s ALA 95 CO -0.02 -1.94 -0.19 0.00 0.00 0.00 0.00 175.76 173.61 1tg6 s ALA 96 N 1.38 2.67 0.00 0.00 0.00 -0.75 -1.67 121.76 123.39 1tg6 s ALA 96 Ca 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1tg6 s ALA 96 Cb -0.21 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1tg6 s ALA 96 CO -0.12 0.57 0.00 0.43 0.00 0.00 0.00 175.76 176.64 1tg6 n SER 97 N 0.73 0.00 0.21 0.00 7.64 0.56 -1.13 113.62 121.63 1tg6 n SER 97 Ca -0.15 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.91 1tg6 n SER 97 Cb 0.53 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.55 1tg6 n SER 97 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1tg6 h MET 98 N 0.00 0.00 -0.22 1.43 2.86 -1.87 0.19 114.93 117.32 1tg6 h MET 98 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1tg6 h MET 98 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1tg6 h MET 98 CO 0.00 0.00 -0.32 0.78 1.06 0.00 0.00 176.91 178.43 1tg6 h GLY 99 N 0.00 0.49 2.00 8.32 0.00 -1.42 -2.16 103.07 110.30 1tg6 h GLY 99 Ca 0.09 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1tg6 h GLY 99 CO -0.00 0.40 -0.55 1.48 0.00 0.00 0.00 176.54 177.87 1tg6 h SER 100 N 0.39 0.00 -0.31 0.19 4.64 -0.68 -2.24 113.55 115.54 1tg6 h SER 100 Ca 0.05 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1tg6 h SER 100 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1tg6 h SER 100 CO 0.06 0.55 -0.18 0.25 -0.87 0.00 0.00 176.83 176.63 1tg6 h LEU 101 N 0.00 0.70 -0.93 5.97 6.46 -1.27 -1.73 115.31 124.51 1tg6 h LEU 101 Ca -0.01 -0.42 -0.06 0.00 -0.12 0.00 0.00 57.88 57.27 1tg6 h LEU 101 Cb 1.13 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 1tg6 h LEU 101 CO 0.07 0.97 0.12 -0.07 -0.62 0.00 0.00 178.44 178.91 1tg6 h LEU 102 N 0.43 0.85 -0.13 2.25 3.38 -1.27 -1.28 115.31 119.54 1tg6 h LEU 102 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1tg6 h LEU 102 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1tg6 h LEU 102 CO 0.05 0.84 0.08 0.25 0.09 0.00 0.00 178.44 179.75 1tg6 h LEU 103 N 0.86 0.16 -1.50 1.67 5.85 -1.23 -2.58 115.31 118.54 1tg6 h LEU 103 Ca 0.18 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1tg6 h LEU 103 Cb 0.34 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1tg6 h LEU 103 CO 0.00 0.15 -0.13 0.00 -0.34 0.00 0.00 178.44 178.13 1tg6 h ALA 104 N 1.01 1.07 0.00 1.25 0.00 -1.07 -2.89 119.26 118.64 1tg6 h ALA 104 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tg6 h ALA 104 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tg6 h ALA 104 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1tg6 n ALA 105 N -2.19 2.58 -1.31 0.00 0.00 -0.51 -4.87 120.51 114.21 1tg6 n ALA 105 Ca -0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 1tg6 n ALA 105 Cb 0.33 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 18.60 1tg6 n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tg6 s GLY 106 N -1.56 1.65 0.20 0.00 0.00 -1.09 -4.91 107.32 101.61 1tg6 s GLY 106 Ca 0.26 0.10 -0.33 0.00 0.00 0.00 0.00 44.72 44.76 1tg6 s GLY 106 CO 0.20 0.49 1.65 2.41 0.00 0.00 0.00 173.10 177.85 1tg6 n THR 107 N -3.56 0.10 -1.55 0.90 -1.04 -0.39 -4.85 114.28 103.89 1tg6 n THR 107 Ca 0.08 -0.02 -0.53 0.00 -2.04 0.00 0.00 64.05 61.54 1tg6 n THR 107 Cb 0.54 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1tg6 n THR 107 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1tg6 n PRO 108 N 3.56 0.78 0.00 -2.82 -0.02 -1.26 -0.06 135.00 135.17 1tg6 n PRO 108 Ca 0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1tg6 n PRO 108 Cb 0.32 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1tg6 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tg6 n GLY 109 N 2.09 2.63 1.03 -1.23 0.00 -1.26 -4.86 105.19 103.59 1tg6 n GLY 109 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1tg6 n GLY 109 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tg6 n MET 110 N -2.00 2.11 -3.69 1.61 2.81 0.91 -4.84 117.12 114.03 1tg6 n MET 110 Ca 0.00 -3.06 -0.37 0.00 -1.81 0.00 0.00 57.70 52.46 1tg6 n MET 110 Cb 0.00 -1.81 -0.12 0.00 -0.71 0.00 0.00 33.22 30.58 1tg6 n MET 110 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1tg6 s ARG 111 N -3.11 3.71 0.28 0.03 0.52 -1.25 -1.51 118.95 117.62 1tg6 s ARG 111 Ca 0.43 -0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1tg6 s ARG 111 Cb 0.38 -3.46 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 1tg6 s ARG 111 CO 0.02 -0.21 -0.07 -1.01 0.02 0.00 0.00 175.30 174.05 1tg6 s HIS 112 N 1.66 2.01 -0.05 -0.53 3.76 0.15 -0.82 115.29 121.47 1tg6 s HIS 112 Ca 0.06 -0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 54.15 1tg6 s HIS 112 Cb -0.16 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.43 1tg6 s HIS 112 CO 0.06 0.33 0.37 0.45 -0.85 0.00 0.00 174.74 175.10 1tg6 s SER 113 N -3.46 -0.29 0.66 1.40 0.15 -0.24 0.03 113.70 111.95 1tg6 s SER 113 Ca 0.30 0.32 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 1tg6 s SER 113 Cb 0.03 0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1tg6 s SER 113 CO 0.12 -0.39 1.04 -0.76 1.20 0.00 0.00 173.24 174.45 1tg6 s LEU 114 N -0.95 3.06 0.52 3.45 2.01 -1.00 -2.03 118.68 123.74 1tg6 s LEU 114 Ca -0.10 1.11 0.28 0.00 0.01 0.00 0.00 54.13 55.43 1tg6 s LEU 114 Cb -0.04 -3.98 1.40 0.00 0.01 0.00 0.00 46.19 43.58 1tg6 s LEU 114 CO 0.04 -1.16 1.91 -0.65 1.01 0.00 0.00 176.35 177.50 1tg6 h PRO 115 N -0.46 0.06 -0.15 1.29 0.11 -1.91 -3.10 132.00 127.84 1tg6 h PRO 115 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1tg6 h PRO 115 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1tg6 h PRO 115 CO 0.63 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 1tg6 n ASN 116 N -4.33 2.82 -4.76 -2.05 3.02 -1.26 -4.75 115.26 103.95 1tg6 n ASN 116 Ca 0.16 -2.56 -0.29 0.00 -0.03 0.00 0.00 54.58 51.86 1tg6 n ASN 116 Cb 0.83 -0.31 0.13 0.00 -0.61 0.00 0.00 39.78 39.82 1tg6 n ASN 116 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1tg6 s SER 117 N -1.75 3.57 -0.00 6.41 0.01 -1.18 -4.88 113.70 115.89 1tg6 s SER 117 Ca 0.25 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.67 1tg6 s SER 117 Cb 0.19 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.64 1tg6 s SER 117 CO 0.07 -2.53 -0.06 0.00 0.41 0.00 0.00 173.24 171.13 1tg6 s ARG 118 N -5.15 0.47 0.16 12.44 1.70 -0.72 -3.99 118.95 123.85 1tg6 s ARG 118 Ca 0.63 -0.20 0.07 0.00 -0.47 0.00 0.00 55.73 55.75 1tg6 s ARG 118 Cb -0.16 -0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 33.73 1tg6 s ARG 118 CO 0.55 0.12 0.02 0.42 -1.08 0.00 0.00 175.30 175.33 1tg6 s ILE 119 N -0.13 3.88 -0.18 4.99 1.09 -0.14 -1.70 121.20 129.02 1tg6 s ILE 119 Ca 0.02 -1.31 -0.15 0.00 -1.10 0.00 0.00 60.65 58.10 1tg6 s ILE 119 Cb -0.02 -2.94 0.05 0.00 -1.06 0.00 0.00 42.46 38.48 1tg6 s ILE 119 CO -0.00 -0.08 0.47 -0.32 -0.10 0.00 0.00 174.94 174.90 1tg6 s MET 120 N -2.89 0.53 0.08 2.79 1.75 -0.67 -0.47 119.30 120.43 1tg6 s MET 120 Ca 0.28 0.68 0.03 0.00 -1.25 0.00 0.00 55.69 55.43 1tg6 s MET 120 Cb -0.10 0.23 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 1tg6 s MET 120 CO 0.19 -0.08 -0.10 0.96 -0.65 0.00 0.00 175.02 175.35 1tg6 s ILE 121 N 0.41 0.86 -0.21 10.11 -4.36 -0.95 -0.32 121.20 126.74 1tg6 s ILE 121 Ca -0.01 -1.52 -0.33 0.00 -0.26 0.00 0.00 60.65 58.52 1tg6 s ILE 121 Cb -0.04 -1.22 0.15 0.00 1.25 0.00 0.00 42.46 42.61 1tg6 s ILE 121 CO -0.01 -0.52 1.22 -1.38 0.24 0.00 0.00 174.94 174.49 1tg6 s HIS 122 N -2.22 -0.14 0.92 1.37 -3.43 -1.26 -1.19 115.29 109.33 1tg6 s HIS 122 Ca 0.02 0.14 -0.11 0.00 -0.80 0.00 0.00 55.06 54.32 1tg6 s HIS 122 Cb -0.04 0.50 0.14 0.00 -1.43 0.00 0.00 32.58 31.75 1tg6 s HIS 122 CO -0.00 -0.18 1.11 1.14 -2.00 0.00 0.00 174.74 174.81 1tg6 s GLN 123 N -1.93 1.04 0.64 -0.38 -2.07 0.44 -4.96 119.66 112.44 1tg6 s GLN 123 Ca 0.08 1.23 -0.14 0.00 -1.82 0.00 0.00 55.36 54.70 1tg6 s GLN 123 Cb -0.01 -1.75 -0.02 0.00 -1.09 0.00 0.00 33.01 30.14 1tg6 s GLN 123 CO -0.05 -2.51 1.07 -1.25 -1.32 0.00 0.00 175.29 171.23 1tg6 s PRO 124 N -4.73 3.09 0.34 9.60 0.04 -1.26 -5.07 135.00 137.00 1tg6 s PRO 124 Ca 0.65 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1tg6 s PRO 124 Cb -0.21 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 1tg6 s PRO 124 CO 0.58 -1.00 -0.05 -1.12 0.04 0.00 0.00 177.00 175.46 1tg6 s SER 125 N -3.02 3.32 0.00 6.66 0.01 -1.26 -5.05 113.70 114.37 1tg6 s SER 125 Ca 0.63 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1tg6 s SER 125 Cb -0.16 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1tg6 s SER 125 CO 0.43 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1tg6 n GLY 126 N -0.75 -0.75 3.56 3.44 0.00 -1.26 -5.07 105.19 104.36 1tg6 n GLY 126 Ca -0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1tg6 n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tg6 s GLY 127 N 0.00 -0.55 -0.03 -0.02 0.00 -1.26 -5.16 107.32 100.30 1tg6 s GLY 127 Ca 0.00 1.63 0.06 0.00 0.00 0.00 0.00 44.72 46.41 1tg6 s GLY 127 CO 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 173.10 174.19 1tg6 s ALA 128 N -0.46 2.33 -0.07 3.20 0.00 -1.26 -5.01 121.76 120.48 1tg6 s ALA 128 Ca -0.06 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1tg6 s ALA 128 Cb -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.45 1tg6 s ALA 128 CO 0.06 0.53 0.46 0.50 0.00 0.00 0.00 175.76 177.31 1tg6 s ARG 129 N -0.63 0.73 0.00 0.00 3.52 -1.26 -5.00 118.95 116.31 1tg6 s ARG 129 Ca 0.10 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1tg6 s ARG 129 Cb -0.10 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1tg6 s ARG 129 CO -0.00 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1tg6 n GLY 130 N 1.66 0.34 3.73 8.12 0.00 -1.26 -4.54 105.19 113.23 1tg6 n GLY 130 Ca -0.18 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 1tg6 n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tg6 s GLN 131 N 0.00 1.98 0.26 1.61 -0.21 -1.26 -4.70 119.66 117.34 1tg6 s GLN 131 Ca 0.00 1.45 -0.01 0.00 0.02 0.00 0.00 55.36 56.82 1tg6 s GLN 131 Cb 0.00 -1.84 0.57 0.00 1.00 0.00 0.00 33.01 32.73 1tg6 s GLN 131 CO 0.00 -1.90 1.70 0.00 -2.12 0.00 0.00 175.29 172.98 1tg6 h ALA 132 N -0.94 1.18 -0.69 6.09 0.00 -1.99 0.01 119.26 122.92 1tg6 h ALA 132 Ca -0.45 0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.71 1tg6 h ALA 132 Cb 1.26 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1tg6 h ALA 132 CO 0.49 -0.29 0.32 1.15 0.00 0.00 0.00 179.25 180.92 1tg6 h THR 133 N 0.38 0.82 -0.17 0.00 2.02 -2.00 -0.69 112.91 113.27 1tg6 h THR 133 Ca 0.47 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 67.32 1tg6 h THR 133 Cb 0.82 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1tg6 h THR 133 CO -0.49 0.10 -0.53 0.44 0.37 0.00 0.00 175.52 175.41 1tg6 h ASP 134 N 0.55 0.54 -0.65 4.18 3.32 -1.39 -2.47 116.42 120.49 1tg6 h ASP 134 Ca 0.34 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1tg6 h ASP 134 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1tg6 h ASP 134 CO -0.29 0.97 0.20 0.40 -1.72 0.00 0.00 179.24 178.80 1tg6 h ILE 135 N 0.38 1.25 -0.53 0.35 2.04 -0.31 -0.28 117.51 120.41 1tg6 h ILE 135 Ca 0.01 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1tg6 h ILE 135 Cb 1.06 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1tg6 h ILE 135 CO 0.10 0.33 0.16 0.00 0.00 0.00 0.00 178.15 178.74 1tg6 h ALA 136 N 1.08 0.69 -0.57 1.87 0.00 -1.08 0.80 119.26 122.05 1tg6 h ALA 136 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tg6 h ALA 136 Cb 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1tg6 h ALA 136 CO -0.01 0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.80 1tg6 h ILE 137 N 0.73 1.14 -0.36 0.00 2.04 -1.11 0.23 117.51 120.18 1tg6 h ILE 137 Ca 0.17 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1tg6 h ILE 137 Cb 0.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1tg6 h ILE 137 CO -0.01 0.14 -0.30 1.56 0.00 0.00 0.00 178.15 179.55 1tg6 h GLN 138 N 0.77 0.78 -0.37 2.37 1.08 -0.78 -2.08 115.11 116.89 1tg6 h GLN 138 Ca 0.21 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1tg6 h GLN 138 Cb -0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1tg6 h GLN 138 CO -0.05 0.97 0.07 0.00 -0.95 0.00 0.00 178.83 178.87 1tg6 h ALA 139 N 1.00 0.49 -0.73 3.87 0.00 -0.52 -1.41 119.26 121.96 1tg6 h ALA 139 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1tg6 h ALA 139 Cb 0.83 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1tg6 h ALA 139 CO 0.07 0.18 0.47 1.49 0.00 0.00 0.00 179.25 181.47 1tg6 h GLU 140 N 0.45 0.92 -0.49 0.00 4.81 -0.89 -1.27 114.58 118.12 1tg6 h GLU 140 Ca 0.11 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1tg6 h GLU 140 Cb 0.35 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1tg6 h GLU 140 CO 0.01 0.61 0.04 1.49 -0.73 0.00 0.00 179.01 180.42 1tg6 h GLU 141 N 0.95 0.83 -0.04 1.92 4.57 -1.12 -1.29 114.58 120.40 1tg6 h GLU 141 Ca 0.28 -0.25 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1tg6 h GLU 141 Cb -0.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1tg6 h GLU 141 CO -0.08 0.86 -0.62 0.97 -1.18 0.00 0.00 179.01 178.95 1tg6 h ILE 142 N 0.70 1.41 -0.40 2.32 2.10 -1.06 -1.53 117.51 121.05 1tg6 h ILE 142 Ca 0.14 -2.06 -0.06 0.00 1.08 0.00 0.00 64.86 63.97 1tg6 h ILE 142 Cb 0.45 2.07 -0.02 0.00 -1.09 0.00 0.00 36.82 38.24 1tg6 h ILE 142 CO 0.02 0.60 0.01 0.24 -1.08 0.00 0.00 178.15 177.93 1tg6 h MET 143 N 0.11 0.63 -0.35 2.19 2.86 -1.04 0.30 114.93 119.63 1tg6 h MET 143 Ca -0.01 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1tg6 h MET 143 Cb 1.12 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1tg6 h MET 143 CO 0.09 0.65 -0.09 0.87 1.06 0.00 0.00 176.91 179.49 1tg6 h LYS 144 N 0.60 0.68 -0.85 1.72 1.57 -0.84 -2.06 116.57 117.39 1tg6 h LYS 144 Ca 0.13 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1tg6 h LYS 144 Cb 0.37 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1tg6 h LYS 144 CO 0.01 0.85 0.56 -0.07 -0.57 0.00 0.00 179.45 180.23 1tg6 h LEU 145 N 0.47 0.97 0.20 2.94 3.38 -0.67 0.49 115.31 123.09 1tg6 h LEU 145 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1tg6 h LEU 145 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tg6 h LEU 145 CO 0.04 0.70 -0.10 0.50 0.09 0.00 0.00 178.44 179.67 1tg6 h LYS 146 N 1.14 -0.26 -0.22 1.13 3.64 -0.71 -0.62 116.57 120.68 1tg6 h LYS 146 Ca 0.31 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1tg6 h LYS 146 Cb -0.13 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1tg6 h LYS 146 CO -0.07 -0.15 -0.13 0.87 -2.27 0.00 0.00 179.45 177.70 1tg6 h LYS 147 N -0.29 0.35 -0.21 1.90 1.57 -1.00 -0.24 116.57 118.65 1tg6 h LYS 147 Ca -0.03 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1tg6 h LYS 147 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1tg6 h LYS 147 CO 0.04 0.49 0.00 0.37 -0.57 0.00 0.00 179.45 179.78 1tg6 h GLN 148 N 0.33 0.36 -0.51 3.15 4.15 -0.65 -1.35 115.11 120.59 1tg6 h GLN 148 Ca 0.06 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 1tg6 h GLN 148 Cb 0.43 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1tg6 h GLN 148 CO 0.02 0.56 0.06 -0.07 -1.93 0.00 0.00 178.83 177.48 1tg6 h LEU 149 N 0.13 0.83 -0.92 -2.39 3.38 -0.87 -2.27 115.31 113.20 1tg6 h LEU 149 Ca 0.06 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1tg6 h LEU 149 Cb 0.39 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1tg6 h LEU 149 CO 0.01 0.89 0.60 1.88 0.09 0.00 0.00 178.44 181.91 1tg6 h TYR 150 N 0.73 1.13 -0.11 1.13 -1.99 -0.95 -1.24 116.97 115.68 1tg6 h TYR 150 Ca 0.15 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 1tg6 h TYR 150 Cb 0.43 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1tg6 h TYR 150 CO 0.03 0.67 -0.31 -0.91 -0.00 0.00 0.00 178.16 177.64 1tg6 h ASN 151 N 1.18 0.21 -0.20 3.88 -0.26 -0.96 -0.72 115.58 118.71 1tg6 h ASN 151 Ca 0.36 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.91 1tg6 h ASN 151 Cb -0.04 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1tg6 h ASN 151 CO -0.11 0.52 -0.34 0.40 -1.06 0.00 0.00 177.43 176.84 1tg6 h ILE 152 N 0.19 1.33 -0.81 2.81 2.04 -0.77 -1.73 117.51 120.57 1tg6 h ILE 152 Ca 0.03 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1tg6 h ILE 152 Cb 0.65 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1tg6 h ILE 152 CO 0.05 0.48 0.34 1.88 0.00 0.00 0.00 178.15 180.90 1tg6 h TYR 153 N 0.25 1.22 -0.00 1.37 -1.99 -1.04 -2.36 116.97 114.42 1tg6 h TYR 153 Ca 0.01 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1tg6 h TYR 153 Cb 0.94 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 1tg6 h TYR 153 CO 0.09 0.91 -0.07 0.00 -0.00 0.00 0.00 178.16 179.09 1tg6 h ALA 154 N 1.19 -0.07 -0.19 3.88 0.00 -1.04 0.11 119.26 123.14 1tg6 h ALA 154 Ca 0.27 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1tg6 h ALA 154 Cb 0.19 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1tg6 h ALA 154 CO -0.03 -0.56 -0.16 -0.22 0.00 0.00 0.00 179.25 178.28 1tg6 h LYS 155 N -0.12 -0.17 0.00 0.00 3.64 -0.99 0.36 116.57 119.29 1tg6 h LYS 155 Ca 0.03 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1tg6 h LYS 155 Cb 0.16 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1tg6 h LYS 155 CO -0.07 -0.11 -0.38 0.45 -2.27 0.00 0.00 179.45 177.06 1tg6 h HIS 156 N -0.18 0.00 0.00 1.91 3.86 -1.31 -3.32 115.15 116.11 1tg6 h HIS 156 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1tg6 h HIS 156 Cb 0.35 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1tg6 h HIS 156 CO -0.31 0.38 -1.81 0.25 0.86 0.00 0.00 177.93 177.31 1tg6 n THR 157 N -3.24 0.22 -1.08 2.45 -2.24 0.37 -4.80 114.28 105.97 1tg6 n THR 157 Ca 0.02 -0.53 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 1tg6 n THR 157 Cb 0.66 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1tg6 n THR 157 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tg6 n LYS 158 N -2.38 -0.54 -2.72 -0.78 4.76 0.12 -4.49 118.16 112.14 1tg6 n LYS 158 Ca -0.05 0.41 -0.31 0.00 -2.87 0.00 0.00 58.31 55.50 1tg6 n LYS 158 Cb 0.60 -4.01 -0.03 0.00 -1.84 0.00 0.00 35.03 29.74 1tg6 n LYS 158 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1tg6 s GLN 159 N -1.49 3.84 0.82 1.97 -1.52 -1.23 -5.05 119.66 117.01 1tg6 s GLN 159 Ca 0.00 0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.92 1tg6 s GLN 159 Cb 0.00 -2.31 0.09 0.00 -0.22 0.00 0.00 33.01 30.56 1tg6 s GLN 159 CO 0.00 -0.10 1.10 -1.54 -0.25 0.00 0.00 175.29 174.49 1tg6 s SER 160 N -3.11 4.21 0.30 5.90 1.04 -1.26 -4.65 113.70 116.13 1tg6 s SER 160 Ca 0.54 1.37 0.04 0.00 0.48 0.00 0.00 55.95 58.38 1tg6 s SER 160 Cb -0.10 -2.08 0.49 0.00 0.10 0.00 0.00 66.02 64.42 1tg6 s SER 160 CO 0.31 -2.16 1.75 0.25 0.98 0.00 0.00 173.24 174.38 1tg6 h LEU 161 N -1.22 0.40 -0.75 2.42 5.85 -1.96 -2.37 115.31 117.68 1tg6 h LEU 161 Ca -0.48 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 1tg6 h LEU 161 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1tg6 h LEU 161 CO 0.58 0.65 0.28 -0.61 -0.34 0.00 0.00 178.44 179.00 1tg6 h GLN 162 N 0.35 1.13 -0.12 1.25 4.15 -1.99 -0.02 115.11 119.86 1tg6 h GLN 162 Ca 0.05 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1tg6 h GLN 162 Cb 0.64 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1tg6 h GLN 162 CO 0.05 0.93 0.06 0.28 -1.93 0.00 0.00 178.83 178.22 1tg6 h VAL 163 N 1.09 1.12 -0.20 2.39 2.07 -1.84 -2.16 116.25 118.72 1tg6 h VAL 163 Ca 0.25 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1tg6 h VAL 163 Cb 0.24 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1tg6 h VAL 163 CO -0.02 0.11 0.11 0.40 0.02 0.00 0.00 177.57 178.19 1tg6 h ILE 164 N 0.07 1.10 -0.97 4.57 2.04 -1.22 -0.42 117.51 122.68 1tg6 h ILE 164 Ca 0.04 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.70 1tg6 h ILE 164 Cb 0.12 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1tg6 h ILE 164 CO -0.01 0.10 0.62 -0.33 0.00 0.00 0.00 178.15 178.54 1tg6 h GLU 165 N 0.22 1.09 -0.19 2.37 5.08 -0.96 0.95 114.58 123.13 1tg6 h GLU 165 Ca 0.07 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1tg6 h GLU 165 Cb 0.06 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1tg6 h GLU 165 CO -0.01 0.72 -0.69 1.03 -1.00 0.00 0.00 179.01 179.06 1tg6 h SER 166 N 1.12 0.88 1.07 1.42 0.87 -1.16 -2.51 113.55 115.25 1tg6 h SER 166 Ca 0.43 -0.54 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1tg6 h SER 166 Cb 0.19 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1tg6 h SER 166 CO -0.18 1.33 -0.33 0.00 -0.53 0.00 0.00 176.83 177.11 1tg6 h ALA 167 N 0.67 0.93 -0.07 6.23 0.00 -0.51 -3.30 119.26 123.21 1tg6 h ALA 167 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1tg6 h ALA 167 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1tg6 h ALA 167 CO 0.14 0.42 0.00 -1.33 0.00 0.00 0.00 179.25 178.48 1tg6 n MET 168 N -3.38 1.63 -0.11 0.00 2.81 0.28 -4.25 117.12 114.10 1tg6 n MET 168 Ca 0.01 -1.65 0.05 0.00 -1.81 0.00 0.00 57.70 54.29 1tg6 n MET 168 Cb 0.53 -1.36 0.38 0.00 -0.71 0.00 0.00 33.22 32.06 1tg6 n MET 168 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1tg6 h GLU 169 N 3.56 0.67 -5.13 0.03 4.57 -1.52 0.13 114.58 116.88 1tg6 h GLU 169 Ca 0.00 -0.04 -0.47 0.00 -1.18 0.00 0.00 59.36 57.67 1tg6 h GLU 169 Cb 0.77 -0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 29.07 1tg6 h GLU 169 CO 0.00 0.44 -0.59 1.03 -1.18 0.00 0.00 179.01 178.72 1tg6 s ARG 170 N -5.61 1.67 0.16 1.92 1.81 -1.26 -4.71 118.95 112.94 1tg6 s ARG 170 Ca -0.09 -1.95 -0.32 0.00 -1.72 0.00 0.00 55.73 51.65 1tg6 s ARG 170 Cb 0.18 -0.72 -0.12 0.00 -0.45 0.00 0.00 34.95 33.85 1tg6 s ARG 170 CO 0.76 -0.27 1.73 -0.25 -0.68 0.00 0.00 175.30 176.59 1tg6 n ASP 171 N -0.78 3.82 -3.96 0.23 9.92 -1.26 -4.59 116.55 119.92 1tg6 n ASP 171 Ca -0.03 1.04 -0.31 0.00 -0.53 0.00 0.00 54.79 54.97 1tg6 n ASP 171 Cb 0.66 -1.53 -0.15 0.00 -0.64 0.00 0.00 41.12 39.46 1tg6 n ASP 171 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1tg6 s ARG 172 N 1.67 1.63 0.06 -1.24 6.06 -0.34 -5.00 118.95 121.79 1tg6 s ARG 172 Ca 0.78 -1.26 -0.19 0.00 -2.50 0.00 0.00 55.73 52.56 1tg6 s ARG 172 Cb -0.54 -2.72 -0.06 0.00 0.06 0.00 0.00 34.95 31.69 1tg6 s ARG 172 CO 0.35 -0.70 0.56 0.71 -2.50 0.00 0.00 175.30 173.72 1tg6 s TYR 173 N 1.25 3.79 0.02 5.12 1.51 -1.26 -2.24 117.35 125.54 1tg6 s TYR 173 Ca -0.01 1.25 0.03 0.00 -1.01 0.00 0.00 57.07 57.32 1tg6 s TYR 173 Cb -0.19 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.15 1tg6 s TYR 173 CO -0.08 0.57 -0.09 -1.64 -1.11 0.00 0.00 175.55 173.20 1tg6 s MET 174 N -1.01 0.64 0.69 -0.62 -1.94 0.38 -4.99 119.30 112.46 1tg6 s MET 174 Ca 0.29 -0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1tg6 s MET 174 Cb -0.19 -0.57 0.02 0.00 2.01 0.00 0.00 34.83 36.10 1tg6 s MET 174 CO 0.18 0.14 1.06 -1.54 -0.01 0.00 0.00 175.02 174.85 1tg6 s SER 175 N -0.85 5.36 0.22 3.03 1.04 -1.26 -0.97 113.70 120.27 1tg6 s SER 175 Ca -0.01 0.98 -0.08 0.00 0.48 0.00 0.00 55.95 57.31 1tg6 s SER 175 Cb -0.06 -1.78 0.33 0.00 0.10 0.00 0.00 66.02 64.61 1tg6 s SER 175 CO 0.00 -1.35 1.74 -0.65 0.98 0.00 0.00 173.24 173.97 1tg6 h PRO 176 N -0.59 0.42 -0.54 4.02 0.11 -1.86 0.13 132.00 133.69 1tg6 h PRO 176 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1tg6 h PRO 176 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1tg6 h PRO 176 CO 0.63 0.27 0.05 1.98 -0.21 0.00 0.00 178.00 180.73 1tg6 h MET 177 N 0.43 0.89 -0.17 1.05 4.05 -1.93 -0.58 114.93 118.67 1tg6 h MET 177 Ca 0.34 -0.23 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 1tg6 h MET 177 Cb 0.45 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1tg6 h MET 177 CO -0.34 0.85 -0.26 0.93 0.23 0.00 0.00 176.91 178.33 1tg6 h GLU 178 N 0.83 0.32 -0.09 0.39 5.08 -1.58 -1.33 114.58 118.21 1tg6 h GLU 178 Ca 0.17 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1tg6 h GLU 178 Cb 0.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1tg6 h GLU 178 CO 0.01 0.56 -0.68 0.00 -1.00 0.00 0.00 179.01 177.91 1tg6 h ALA 179 N 1.45 0.68 -0.22 3.43 0.00 -0.17 -0.79 119.26 123.64 1tg6 h ALA 179 Ca 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1tg6 h ALA 179 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1tg6 h ALA 179 CO 0.04 0.75 -0.09 0.37 0.00 0.00 0.00 179.25 180.32 1tg6 h GLN 180 N 0.26 0.45 -0.97 0.00 4.15 -0.81 0.31 115.11 118.50 1tg6 h GLN 180 Ca -0.02 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1tg6 h GLN 180 Cb 1.23 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1tg6 h GLN 180 CO 0.11 0.72 0.62 1.49 -1.93 0.00 0.00 178.83 179.85 1tg6 h GLU 181 N 0.17 1.29 0.00 1.69 4.81 -1.17 -1.16 114.58 120.21 1tg6 h GLU 181 Ca 0.05 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1tg6 h GLU 181 Cb 0.58 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1tg6 h GLU 181 CO 0.03 0.87 -0.07 0.35 -0.73 0.00 0.00 179.01 179.47 1tg6 h PHE 182 N 1.33 0.00 0.00 0.92 3.57 -0.95 -3.47 116.94 118.34 1tg6 h PHE 182 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1tg6 h PHE 182 Cb -0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1tg6 h PHE 182 CO 0.00 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 1tg6 n GLY 183 N 0.11 0.97 0.08 2.40 0.00 -0.44 -4.71 105.19 103.59 1tg6 n GLY 183 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1tg6 n GLY 183 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tg6 h ILE 184 N 0.00 1.64 -3.95 -0.61 1.08 -0.64 -3.34 117.51 111.69 1tg6 h ILE 184 Ca 0.00 -3.18 -0.11 0.00 -0.39 0.00 0.00 64.86 61.17 1tg6 h ILE 184 Cb 0.00 2.77 -0.13 0.00 -3.07 0.00 0.00 36.82 36.39 1tg6 h ILE 184 CO 0.00 0.91 -0.36 -1.48 -0.69 0.00 0.00 178.15 176.53 1tg6 s LEU 185 N -6.93 1.09 -0.21 1.44 0.05 -1.18 -3.49 118.68 109.45 1tg6 s LEU 185 Ca -0.00 -0.90 0.05 0.00 0.05 0.00 0.00 54.13 53.32 1tg6 s LEU 185 Cb 0.10 1.07 -0.16 0.00 -2.05 0.00 0.00 46.19 45.15 1tg6 s LEU 185 CO 0.83 -0.86 -0.13 0.47 -0.55 0.00 0.00 176.35 176.10 1tg6 n ASP 186 N -0.19 1.93 -4.09 1.48 8.00 -0.03 -4.12 116.55 119.52 1tg6 n ASP 186 Ca -0.07 -0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.14 1tg6 n ASP 186 Cb 0.63 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.55 1tg6 n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tg6 s LYS 187 N -2.43 0.86 -0.35 -1.24 1.02 0.00 -5.02 119.74 112.58 1tg6 s LYS 187 Ca -0.25 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.19 1tg6 s LYS 187 Cb 0.07 -0.83 0.10 0.00 -0.52 0.00 0.00 37.83 36.65 1tg6 s LYS 187 CO 0.55 0.21 0.08 0.08 -0.92 0.00 0.00 175.35 175.36 1tg6 s VAL 188 N -0.60 2.61 -0.10 3.17 1.01 -1.26 -1.08 120.40 124.15 1tg6 s VAL 188 Ca 0.02 -2.16 -0.06 0.00 0.00 0.00 0.00 61.98 59.78 1tg6 s VAL 188 Cb -0.06 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1tg6 s VAL 188 CO 0.00 -0.56 0.13 -0.76 0.00 0.00 0.00 175.10 173.91 1tg6 s LEU 189 N 1.00 4.30 -0.26 3.92 1.02 -0.86 -4.90 118.68 122.89 1tg6 s LEU 189 Ca 0.08 0.42 -0.07 0.00 0.02 0.00 0.00 54.13 54.57 1tg6 s LEU 189 Cb -0.20 -2.11 -0.15 0.00 0.02 0.00 0.00 46.19 43.75 1tg6 s LEU 189 CO -0.06 0.39 -0.26 0.52 0.02 0.00 0.00 176.35 176.95 1tg6 n VAL 190 N 1.86 1.52 -4.32 -1.59 0.31 -1.26 -3.59 118.33 111.25 1tg6 n VAL 190 Ca -0.19 -0.46 -0.17 0.00 -0.01 0.00 0.00 64.34 63.51 1tg6 n VAL 190 Cb 0.55 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 1tg6 n VAL 190 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1tg6 s HIS 191 N -2.51 1.61 -2.00 3.52 3.76 -1.26 -4.98 115.29 113.42 1tg6 s HIS 191 Ca -0.36 -0.61 0.23 0.00 -0.15 0.00 0.00 55.06 54.17 1tg6 s HIS 191 Cb 0.12 -0.76 1.40 0.00 1.11 0.00 0.00 32.58 34.45 1tg6 s HIS 191 CO 0.55 0.30 1.76 -0.35 -0.85 0.00 0.00 174.74 176.15