#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt n SER 2 N 0.00 1.55 -2.27 1.61 2.88 -1.26 -5.06 113.62 111.08 1qtt n SER 2 Ca 0.00 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1qtt n SER 2 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1qtt n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1qtt n MET 3 N 0.02 -4.91 -3.56 -1.46 0.00 -1.26 -5.08 117.12 100.87 1qtt n MET 3 Ca 0.17 3.59 -0.17 0.00 0.00 0.00 0.00 57.70 61.29 1qtt n MET 3 Cb 0.74 -4.48 -0.06 0.00 0.00 0.00 0.00 33.22 29.42 1qtt n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qtt s ALA 4 N -0.56 -1.78 1.00 3.04 0.00 -1.26 -5.17 121.76 117.02 1qtt s ALA 4 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1qtt s ALA 4 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1qtt s ALA 4 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1qtt n GLY 5 N 1.46 -0.90 3.53 0.00 0.00 -1.26 -5.01 105.19 103.02 1qtt n GLY 5 Ca -0.17 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1qtt n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qtt s GLU 6 N 0.00 0.74 0.09 1.61 1.03 -1.26 -5.14 118.70 115.77 1qtt s GLU 6 Ca 0.00 -0.15 0.08 0.00 0.03 0.00 0.00 54.97 54.92 1qtt s GLU 6 Cb 0.00 0.34 -0.03 0.00 -0.80 0.00 0.00 34.13 33.64 1qtt s GLU 6 CO 0.00 -0.30 -0.20 -0.51 -1.33 0.00 0.00 175.26 172.92 1qtt s ASP 7 N -2.06 2.38 1.01 0.83 1.11 -1.26 -4.94 116.67 113.74 1qtt s ASP 7 Ca 0.03 -0.64 -0.20 0.00 0.18 0.00 0.00 52.55 51.92 1qtt s ASP 7 Cb -0.01 -0.14 -0.08 0.00 1.07 0.00 0.00 42.92 43.76 1qtt s ASP 7 CO -0.05 0.05 -0.64 0.52 1.18 0.00 0.00 175.17 176.23 1qtt n VAL 8 N 1.26 0.00 0.02 -1.27 0.31 -1.26 -4.94 118.33 112.45 1qtt n VAL 8 Ca -0.19 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1qtt n VAL 8 Cb 0.54 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 1qtt n VAL 8 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1qtt h GLY 9 N -1.30 -0.12 -4.67 2.92 0.00 -2.00 -3.49 103.07 94.41 1qtt h GLY 9 Ca -0.44 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1qtt h GLY 9 CO 0.27 -0.05 0.16 0.00 0.00 0.00 0.00 176.54 176.93 1qtt s ALA 10 N -3.04 -1.78 0.96 3.60 0.00 -1.26 -5.18 121.76 115.06 1qtt s ALA 10 Ca -0.02 1.79 -0.14 0.00 0.00 0.00 0.00 51.96 53.59 1qtt s ALA 10 Cb 0.00 -0.79 0.17 0.00 0.00 0.00 0.00 23.12 22.50 1qtt s ALA 10 CO 0.05 -0.35 1.16 -1.25 0.00 0.00 0.00 175.76 175.38 1qtt s PRO 11 N -0.15 0.72 -0.85 0.00 0.04 -1.26 -4.93 135.00 128.56 1qtt s PRO 11 Ca -0.04 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.88 1qtt s PRO 11 Cb -0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO 0.04 -2.45 1.64 -1.25 0.04 0.00 0.00 177.00 175.02 1qtt s PRO 12 N -5.40 3.03 0.57 0.56 0.04 -1.26 -4.80 135.00 127.74 1qtt s PRO 12 Ca 0.66 -0.38 0.41 0.00 0.04 0.00 0.00 61.00 61.74 1qtt s PRO 12 Cb -0.12 -4.85 1.47 0.00 0.04 0.00 0.00 34.50 31.04 1qtt s PRO 12 CO 0.54 -2.64 1.55 0.22 0.04 0.00 0.00 177.00 176.71 1qtt h ASP 13 N 11.25 0.00 -4.79 6.66 3.58 -1.95 -3.39 116.42 127.78 1qtt h ASP 13 Ca -0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 1qtt h ASP 13 Cb 1.05 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.89 1qtt h ASP 13 CO 1.30 0.00 -0.16 -1.38 -2.88 0.00 0.00 179.24 176.12 1qtt s HIS 14 N -4.74 -0.34 0.04 0.28 -3.43 -1.26 0.85 115.29 106.68 1qtt s HIS 14 Ca -0.04 0.63 0.05 0.00 -0.80 0.00 0.00 55.06 54.90 1qtt s HIS 14 Cb 0.22 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 1qtt s HIS 14 CO 0.75 -0.41 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.41 1qtt s LEU 15 N -1.01 2.16 -0.22 5.38 1.43 -1.11 -3.73 118.68 121.58 1qtt s LEU 15 Ca -0.10 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1qtt s LEU 15 Cb -0.04 -0.69 0.06 0.00 0.03 0.00 0.00 46.19 45.56 1qtt s LEU 15 CO 0.05 0.07 -0.01 0.26 0.23 0.00 0.00 176.35 176.95 1qtt s TRP 16 N -0.80 1.73 -0.10 0.29 0.51 0.09 -1.74 118.94 118.92 1qtt s TRP 16 Ca 0.03 -1.33 -0.29 0.00 -2.12 0.00 0.00 56.10 52.38 1qtt s TRP 16 Cb -0.08 -1.32 -0.04 0.00 -0.81 0.00 0.00 33.47 31.22 1qtt s TRP 16 CO 0.01 -0.70 1.54 0.54 -0.51 0.00 0.00 176.95 177.84 1qtt s VAL 17 N 1.62 3.78 -0.06 4.03 0.11 -1.19 0.13 120.40 128.82 1qtt s VAL 17 Ca -0.03 0.94 0.04 0.00 -2.93 0.00 0.00 61.98 60.00 1qtt s VAL 17 Cb -0.18 -3.62 -0.07 0.00 -1.53 0.00 0.00 36.38 30.98 1qtt s VAL 17 CO -0.07 -0.10 -0.00 1.57 -3.33 0.00 0.00 175.10 173.16 1qtt n HIS 18 N 7.11 0.00 -4.29 1.54 -0.00 -1.22 -4.94 115.22 113.41 1qtt n HIS 18 Ca 0.16 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.18 1qtt n HIS 18 Cb 0.44 -0.29 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 1qtt n HIS 18 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qtt s GLN 19 N -2.14 1.17 -0.29 1.57 -0.21 -1.26 -4.03 119.66 114.47 1qtt s GLN 19 Ca -0.05 -1.48 -0.34 0.00 0.02 0.00 0.00 55.36 53.52 1qtt s GLN 19 Cb 0.02 -0.89 -0.10 0.00 1.00 0.00 0.00 33.01 33.04 1qtt s GLN 19 CO 0.22 0.14 2.15 -0.85 -2.12 0.00 0.00 175.29 174.83 1qtt n GLU 20 N -0.15 1.40 -1.88 2.91 0.00 -1.26 0.79 120.64 122.44 1qtt n GLU 20 Ca -0.10 0.41 -0.07 0.00 0.00 0.00 0.00 57.16 57.39 1qtt n GLU 20 Cb 0.60 -2.65 -0.01 0.00 0.00 0.00 0.00 31.44 29.37 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qtt n GLY 21 N 6.07 0.31 3.31 -1.84 0.00 -1.26 -4.92 105.19 106.85 1qtt n GLY 21 Ca 0.36 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.33 1.58 -0.05 -0.61 1.09 0.24 0.23 121.20 121.34 1qtt s ILE 22 Ca 0.00 -2.08 -0.22 0.00 -1.10 0.00 0.00 60.65 57.25 1qtt s ILE 22 Cb 0.00 -1.91 0.04 0.00 -1.06 0.00 0.00 42.46 39.53 1qtt s ILE 22 CO 0.00 -0.57 0.48 -0.31 -0.10 0.00 0.00 174.94 174.44 1qtt s TYR 23 N -2.83 -0.41 -0.14 3.97 2.02 0.21 -3.43 117.35 116.73 1qtt s TYR 23 Ca 0.19 0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 57.58 1qtt s TYR 23 Cb -0.01 0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.74 1qtt s TYR 23 CO 0.05 -0.46 0.03 0.50 -1.57 0.00 0.00 175.55 174.10 1qtt s ARG 24 N -1.08 3.59 0.86 -0.62 3.52 0.34 0.27 118.95 125.82 1qtt s ARG 24 Ca -0.11 -0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.01 1qtt s ARG 24 Cb -0.03 -3.02 0.17 0.00 -1.56 0.00 0.00 34.95 30.51 1qtt s ARG 24 CO 0.06 0.43 1.18 0.34 -0.81 0.00 0.00 175.30 176.50 1qtt s ASP 25 N -0.10 3.62 -0.13 -2.12 2.15 0.44 -0.73 116.67 119.80 1qtt s ASP 25 Ca 0.05 -0.04 0.04 0.00 0.43 0.00 0.00 52.55 53.04 1qtt s ASP 25 Cb -0.12 -0.13 0.32 0.00 -0.30 0.00 0.00 42.92 42.68 1qtt s ASP 25 CO 0.02 -2.38 1.14 1.21 -0.17 0.00 0.00 175.17 174.99 1qtt n GLU 26 N -3.37 2.23 -2.71 4.34 2.13 -1.24 -3.80 120.64 118.22 1qtt n GLU 26 Ca 0.15 -1.27 -0.05 0.00 0.66 0.00 0.00 57.16 56.65 1qtt n GLU 26 Cb 0.60 -1.70 0.09 0.00 0.27 0.00 0.00 31.44 30.70 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1qtt n TYR 27 N 0.11 -1.08 -3.39 4.31 4.01 -1.26 -4.96 117.16 114.90 1qtt n TYR 27 Ca 0.16 -2.06 -0.24 0.00 -0.16 0.00 0.00 57.90 55.60 1qtt n TYR 27 Cb 0.76 0.93 0.00 0.00 -0.31 0.00 0.00 39.34 40.72 1qtt n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qtt n GLN 28 N -0.79 -3.69 -3.80 -0.72 10.64 -1.25 -4.92 117.38 112.86 1qtt n GLN 28 Ca -0.04 0.53 -0.37 0.00 -1.83 0.00 0.00 57.00 55.29 1qtt n GLN 28 Cb 0.85 -5.27 -0.13 0.00 -0.86 0.00 0.00 30.24 24.83 1qtt n GLN 28 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1qtt s ARG 29 N -6.05 2.96 0.44 2.61 6.06 -1.26 -4.92 118.95 118.79 1qtt s ARG 29 Ca 0.42 -0.94 -0.22 0.00 -2.50 0.00 0.00 55.73 52.50 1qtt s ARG 29 Cb -0.22 -3.32 -0.09 0.00 0.06 0.00 0.00 34.95 31.38 1qtt s ARG 29 CO 0.51 -0.47 1.01 0.95 -2.50 0.00 0.00 175.30 174.80 1qtt s THR 30 N 1.45 4.00 0.08 4.11 -4.23 -1.26 0.17 115.64 119.95 1qtt s THR 30 Ca 0.01 1.33 0.04 0.00 -1.18 0.00 0.00 61.69 61.89 1qtt s THR 30 Cb -0.17 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1qtt s THR 30 CO 0.01 -0.18 -0.11 0.26 -0.54 0.00 0.00 174.62 174.06 1qtt s TRP 31 N -1.95 1.07 -0.27 3.99 0.52 0.76 -2.98 118.94 120.08 1qtt s TRP 31 Ca 0.62 -0.56 0.03 0.00 0.02 0.00 0.00 56.10 56.21 1qtt s TRP 31 Cb -0.15 -0.59 0.07 0.00 -1.15 0.00 0.00 33.47 31.64 1qtt s TRP 31 CO 0.20 0.01 -0.06 0.08 0.02 0.00 0.00 176.95 177.20 1qtt s VAL 32 N -1.88 1.99 -0.37 4.03 1.01 0.90 0.67 120.40 126.75 1qtt s VAL 32 Ca 0.01 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.10 1qtt s VAL 32 Cb -0.06 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1qtt s VAL 32 CO 0.01 -0.18 0.69 0.00 0.00 0.00 0.00 175.10 175.62 1qtt s ALA 33 N 1.15 3.43 -1.07 5.51 0.00 0.63 0.16 121.76 131.57 1qtt s ALA 33 Ca -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1qtt s ALA 33 Cb -0.19 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 19.93 1qtt s ALA 33 CO -0.07 -1.47 1.05 0.08 0.00 0.00 0.00 175.76 175.36 1qtt s VAL 34 N 2.89 5.90 -0.20 0.00 1.01 0.48 -4.32 120.40 126.16 1qtt s VAL 34 Ca 0.27 -3.31 -0.36 0.00 0.00 0.00 0.00 61.98 58.58 1qtt s VAL 34 Cb -0.14 -4.56 -0.12 0.00 0.00 0.00 0.00 36.38 31.56 1qtt s VAL 34 CO 0.16 -1.16 1.94 0.55 0.00 0.00 0.00 175.10 176.59 1qtt n VAL 35 N 2.86 0.42 -3.37 2.92 3.14 -1.26 -2.98 118.33 120.07 1qtt n VAL 35 Ca 0.22 -0.15 -0.15 0.00 -2.96 0.00 0.00 64.34 61.31 1qtt n VAL 35 Cb 0.40 -1.71 -0.08 0.00 -1.06 0.00 0.00 33.84 31.39 1qtt n VAL 35 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1qtt s GLU 36 N 4.57 0.42 0.72 1.45 2.56 0.15 -4.98 118.70 123.59 1qtt s GLU 36 Ca 0.98 -0.26 -0.14 0.00 0.00 0.00 0.00 54.97 55.56 1qtt s GLU 36 Cb -0.80 -0.59 0.03 0.00 2.00 0.00 0.00 34.13 34.77 1qtt s GLU 36 CO 0.54 -1.07 1.15 -1.83 -0.56 0.00 0.00 175.26 173.49 1qtt s GLU 37 N 2.17 2.35 -0.21 4.30 -1.05 -1.26 -3.54 118.70 121.46 1qtt s GLU 37 Ca 0.11 1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 56.18 1qtt s GLU 37 Cb -0.14 -1.88 0.15 0.00 -0.44 0.00 0.00 34.13 31.83 1qtt s GLU 37 CO -0.25 -1.63 1.14 -1.83 0.95 0.00 0.00 175.26 173.64 1qtt s GLU 38 N -4.11 0.38 -1.76 -4.83 -1.05 -0.95 -4.90 118.70 101.47 1qtt s GLU 38 Ca 0.70 0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 1qtt s GLU 38 Cb -0.24 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1qtt s GLU 38 CO 0.45 -0.11 0.00 2.41 0.95 0.00 0.00 175.26 178.96 1qtt n THR 39 N 0.71 -0.05 -2.69 1.83 -1.04 -1.26 -0.36 114.28 111.41 1qtt n THR 39 Ca -0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1qtt n THR 39 Cb 0.58 -1.64 0.02 0.00 -1.82 0.00 0.00 70.33 67.47 1qtt n THR 39 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qtt n SER 40 N -0.97 -2.87 -3.86 8.00 2.88 -1.26 -5.05 113.62 110.49 1qtt n SER 40 Ca -0.17 -0.13 -0.17 0.00 -1.33 0.00 0.00 58.87 57.07 1qtt n SER 40 Cb 0.56 -1.54 -0.09 0.00 -0.75 0.00 0.00 64.21 62.39 1qtt n SER 40 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1qtt s PHE 41 N -3.07 1.53 -0.45 0.66 0.08 0.51 -4.86 117.98 112.37 1qtt s PHE 41 Ca 0.12 -1.46 -0.01 0.00 0.12 0.00 0.00 56.93 55.69 1qtt s PHE 41 Cb -0.05 -0.73 0.12 0.00 -0.57 0.00 0.00 43.02 41.79 1qtt s PHE 41 CO 0.17 -0.66 0.23 -0.51 -0.10 0.00 0.00 175.22 174.35 1qtt s LEU 42 N -3.32 5.10 -0.26 -0.37 2.01 -1.21 -2.24 118.68 118.39 1qtt s LEU 42 Ca 0.38 -2.30 -0.09 0.00 0.01 0.00 0.00 54.13 52.13 1qtt s LEU 42 Cb 0.05 -1.79 -0.04 0.00 0.01 0.00 0.00 46.19 44.42 1qtt s LEU 42 CO 0.19 -0.46 0.13 -0.60 1.01 0.00 0.00 176.35 176.62 1qtt s ARG 43 N 0.74 3.84 -0.62 1.70 3.52 -1.23 -0.31 118.95 126.60 1qtt s ARG 43 Ca 0.11 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1qtt s ARG 43 Cb -0.22 -3.48 0.16 0.00 -1.56 0.00 0.00 34.95 29.85 1qtt s ARG 43 CO -0.04 -0.13 0.42 0.00 -0.81 0.00 0.00 175.30 174.74 1qtt s ALA 44 N 1.53 3.56 -0.36 6.12 0.00 0.29 0.30 121.76 133.20 1qtt s ALA 44 Ca 0.06 -3.27 -0.28 0.00 0.00 0.00 0.00 51.96 48.47 1qtt s ALA 44 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1qtt s ALA 44 CO 0.07 -2.10 1.87 0.50 0.00 0.00 0.00 175.76 176.10 1qtt s ARG 45 N -0.11 3.17 -0.38 0.00 3.52 -1.16 -2.30 118.95 121.69 1qtt s ARG 45 Ca 0.17 1.37 -0.18 0.00 -0.13 0.00 0.00 55.73 56.97 1qtt s ARG 45 Cb -0.21 -4.25 0.01 0.00 -1.56 0.00 0.00 34.95 28.93 1qtt s ARG 45 CO -0.03 -2.05 0.48 0.08 -0.81 0.00 0.00 175.30 172.96 1qtt s VAL 46 N 7.53 5.04 -0.15 7.11 1.01 0.73 0.18 120.40 141.85 1qtt s VAL 46 Ca 0.81 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1qtt s VAL 46 Cb -0.22 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1qtt s VAL 46 CO 0.32 -0.30 -0.06 -1.58 0.00 0.00 0.00 175.10 173.48 1qtt s GLN 47 N 2.29 3.60 -0.20 2.72 0.74 0.43 0.27 119.66 129.52 1qtt s GLN 47 Ca 0.16 -0.56 -0.21 0.00 0.05 0.00 0.00 55.36 54.80 1qtt s GLN 47 Cb -0.16 -2.84 -0.02 0.00 1.10 0.00 0.00 33.01 31.08 1qtt s GLN 47 CO 0.14 0.24 0.63 -1.14 -0.55 0.00 0.00 175.29 174.61 1qtt s GLN 48 N 0.35 4.21 0.15 1.67 -0.44 0.20 0.31 119.66 126.12 1qtt s GLN 48 Ca -0.06 0.62 -0.10 0.00 -2.50 0.00 0.00 55.36 53.33 1qtt s GLN 48 Cb -0.15 -3.58 -0.00 0.00 -1.64 0.00 0.00 33.01 27.64 1qtt s GLN 48 CO 0.04 -0.24 0.29 0.96 0.50 0.00 0.00 175.29 176.83 1qtt s ILE 49 N 1.91 0.08 -1.00 -2.34 -0.00 -1.16 -3.90 121.20 114.78 1qtt s ILE 49 Ca 0.29 -1.28 -0.15 0.00 -0.00 0.00 0.00 60.65 59.51 1qtt s ILE 49 Cb -0.16 -1.71 0.19 0.00 -0.00 0.00 0.00 42.46 40.78 1qtt s ILE 49 CO 0.10 -0.35 1.10 -1.10 -0.00 0.00 0.00 174.94 174.70 1qtt s GLN 50 N -3.94 3.82 -0.00 0.37 -0.21 -1.26 -4.28 119.66 114.16 1qtt s GLN 50 Ca 0.14 -2.38 0.04 0.00 0.02 0.00 0.00 55.36 53.17 1qtt s GLN 50 Cb 0.03 -4.77 -0.01 0.00 1.00 0.00 0.00 33.01 29.27 1qtt s GLN 50 CO -0.03 -1.56 -0.12 0.14 -2.12 0.00 0.00 175.29 171.61 1qtt s VAL 51 N 1.11 0.91 0.18 1.09 -7.23 -1.26 -5.13 120.40 110.08 1qtt s VAL 51 Ca 0.31 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1qtt s VAL 51 Cb -0.07 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 36.02 1qtt s VAL 51 CO -0.07 0.21 1.12 -2.16 -0.31 0.00 0.00 175.10 173.89 1qtt s PRO 52 N -0.41 4.57 -0.36 4.82 0.04 -1.26 -4.90 135.00 137.51 1qtt s PRO 52 Ca 0.04 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1qtt s PRO 52 Cb -0.05 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1qtt s PRO 52 CO -0.00 0.05 1.09 -0.51 0.04 0.00 0.00 177.00 177.66 1qtt s LEU 53 N -0.36 3.87 0.00 -3.56 1.43 -1.26 -5.00 118.68 113.80 1qtt s LEU 53 Ca 0.50 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1qtt s LEU 53 Cb -0.30 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1qtt s LEU 53 CO 0.35 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1qtt n GLY 54 N 4.10 -0.53 0.79 -3.19 0.00 -1.26 -4.99 105.19 100.12 1qtt n GLY 54 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1qtt n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qtt n ASP 55 N 0.00 -1.86 -2.74 1.61 2.03 -1.26 -5.04 116.55 109.29 1qtt n ASP 55 Ca 0.00 -0.44 -0.09 0.00 0.52 0.00 0.00 54.79 54.78 1qtt n ASP 55 Cb 0.00 -0.24 0.07 0.00 -0.72 0.00 0.00 41.12 40.23 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qtt n ALA 56 N -3.55 -1.03 -2.59 -1.67 0.00 -1.26 -4.57 120.51 105.84 1qtt n ALA 56 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1qtt n ALA 56 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N 0.93 0.00 -3.07 0.00 0.00 -1.26 -5.06 120.51 112.05 1qtt n ALA 57 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1qtt n ALA 57 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.56 0.00 0.00 1.74 -1.26 -4.92 116.66 113.78 1qtt n ARG 58 Ca 0.00 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.35 1qtt n ARG 58 Cb 0.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.11 0.00 -0.19 5.56 -0.04 -1.26 -2.53 135.00 136.65 1qtt n PRO 59 Ca 0.25 0.37 0.20 0.00 -0.04 0.00 0.00 63.50 64.29 1qtt n PRO 59 Cb 0.61 -1.00 0.57 0.00 -0.04 0.00 0.00 33.50 33.64 1qtt n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qtt h SER 60 N 0.00 0.29 -0.77 3.54 0.87 -1.93 1.91 113.55 117.46 1qtt h SER 60 Ca 0.00 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1qtt h SER 60 Cb 0.00 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1qtt h SER 60 CO 0.00 0.12 0.50 0.45 -0.53 0.00 0.00 176.83 177.38 1qtt h HIS 61 N 0.29 0.95 0.00 2.24 3.86 -1.93 1.64 115.15 122.21 1qtt h HIS 61 Ca 0.42 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1qtt h HIS 61 Cb 1.19 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1qtt h HIS 61 CO -0.00 0.59 -0.96 1.28 0.86 0.00 0.00 177.93 179.69 1qtt n LEU 62 N -4.57 0.74 -0.04 2.43 7.99 0.10 -2.38 117.00 121.28 1qtt n LEU 62 Ca 0.08 0.24 -0.00 0.00 -0.01 0.00 0.00 56.01 56.31 1qtt n LEU 62 Cb 0.03 -0.09 -0.00 0.00 -0.11 0.00 0.00 43.42 43.25 1qtt n LEU 62 CO 0.35 -0.11 -0.01 -0.07 -1.51 0.00 0.00 177.39 176.04 1qtt h LEU 63 N 0.00 0.00 0.00 2.23 4.07 0.36 -3.43 115.31 118.54 1qtt h LEU 63 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1qtt h LEU 63 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1qtt h LEU 63 CO 0.00 0.36 -0.07 0.74 -1.08 0.00 0.00 178.44 178.39 1qtt h THR 64 N -0.71 0.00 -2.71 0.22 2.02 0.22 -3.50 112.91 108.45 1qtt h THR 64 Ca 0.00 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1qtt h THR 64 Cb 0.01 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.44 1qtt h THR 64 CO 0.00 0.00 -0.08 -1.54 0.37 0.00 0.00 175.52 174.27 1qtt n SER 65 N -3.14 -2.19 0.12 4.18 3.41 -0.97 -4.99 113.62 110.06 1qtt n SER 65 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1qtt n SER 65 Cb 0.04 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -1.45 0.00 -2.03 4.33 3.00 -1.26 -5.09 117.38 114.87 1qtt n GLN 66 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1qtt n GLN 66 Cb 0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.74 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1qtt s LEU 67 N -6.66 4.40 0.86 1.08 1.02 -1.26 -5.00 118.68 113.12 1qtt s LEU 67 Ca 0.00 2.77 -0.12 0.00 0.02 0.00 0.00 54.13 56.80 1qtt s LEU 67 Cb 0.00 -3.65 0.11 0.00 0.02 0.00 0.00 46.19 42.67 1qtt s LEU 67 CO 0.00 -0.63 1.12 -2.16 0.02 0.00 0.00 176.35 174.70 1qtt s PRO 68 N -1.67 1.57 0.00 1.29 0.04 -1.26 -4.93 135.00 130.04 1qtt s PRO 68 Ca 0.51 0.45 0.25 0.00 0.04 0.00 0.00 61.00 62.25 1qtt s PRO 68 Cb -0.41 -1.88 1.22 0.00 0.04 0.00 0.00 34.50 33.47 1qtt s PRO 68 CO 0.54 -1.93 1.84 -0.11 0.04 0.00 0.00 177.00 177.38 1qtt n LEU 69 N -3.61 0.00 -3.62 -3.56 -0.00 -1.26 -4.72 117.00 100.23 1qtt n LEU 69 Ca 0.07 0.34 -0.08 0.00 -0.00 0.00 0.00 56.01 56.34 1qtt n LEU 69 Cb 0.58 -0.34 -0.06 0.00 -0.00 0.00 0.00 43.42 43.59 1qtt n LEU 69 CO 0.57 -0.05 0.86 -0.32 -0.00 0.00 0.00 177.39 178.45 1qtt s MET 70 N -2.69 0.43 0.20 1.96 1.75 -1.26 -3.15 119.30 116.53 1qtt s MET 70 Ca 0.21 0.28 0.08 0.00 -1.25 0.00 0.00 55.69 55.01 1qtt s MET 70 Cb 0.17 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 38.00 1qtt s MET 70 CO 0.41 -0.10 -0.02 -1.58 -0.65 0.00 0.00 175.02 173.08 1qtt s TRP 71 N -0.47 2.76 -0.28 4.11 0.51 -0.71 -3.26 118.94 121.60 1qtt s TRP 71 Ca 0.02 -0.18 -0.03 0.00 -2.12 0.00 0.00 56.10 53.80 1qtt s TRP 71 Cb -0.03 -1.31 0.09 0.00 -0.81 0.00 0.00 33.47 31.41 1qtt s TRP 71 CO -0.05 0.54 0.10 -1.14 -0.51 0.00 0.00 176.95 175.90 1qtt s GLN 72 N -3.10 0.45 -0.11 4.98 2.00 0.58 -2.75 119.66 121.71 1qtt s GLN 72 Ca 0.28 -0.71 -0.37 0.00 -2.00 0.00 0.00 55.36 52.56 1qtt s GLN 72 Cb -0.08 -1.65 -0.14 0.00 0.80 0.00 0.00 33.01 31.94 1qtt s GLN 72 CO 0.18 -0.94 1.73 -0.11 -0.50 0.00 0.00 175.29 175.65 1qtt n LEU 73 N 5.06 2.79 0.00 3.68 7.94 0.25 0.13 117.00 136.85 1qtt n LEU 73 Ca -0.05 1.04 -0.25 0.00 -1.11 0.00 0.00 56.01 55.64 1qtt n LEU 73 Cb 0.43 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1qtt n LEU 73 CO 0.08 -0.34 0.08 -1.22 -1.11 0.00 0.00 177.39 174.88 1qtt n TYR 74 N 5.31 -0.68 -1.53 1.96 4.02 0.80 -4.82 117.16 122.21 1qtt n TYR 74 Ca 0.23 -2.23 -0.29 0.00 -0.01 0.00 0.00 57.90 55.60 1qtt n TYR 74 Cb 0.22 -0.44 0.13 0.00 -0.02 0.00 0.00 39.34 39.23 1qtt n TYR 74 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qtt s PRO 75 N -4.18 1.31 0.00 -0.72 0.04 -1.26 -4.21 135.00 125.97 1qtt s PRO 75 Ca 0.31 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1qtt s PRO 75 Cb -0.02 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1qtt s PRO 75 CO 0.20 -2.10 0.00 -1.91 0.04 0.00 0.00 177.00 173.23 1qtt n GLU 76 N -3.71 0.00 0.00 4.56 2.13 -1.26 -3.70 120.64 118.67 1qtt n GLU 76 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1qtt n GLU 76 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qtt n GLU 77 N 0.00 0.00 -3.84 5.31 2.13 -1.26 -5.16 120.64 117.82 1qtt n GLU 77 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1qtt n GLU 77 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qtt s ARG 78 N 0.00 0.90 -0.13 5.31 0.52 -1.24 -2.72 118.95 121.59 1qtt s ARG 78 Ca 0.00 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1qtt s ARG 78 Cb 0.00 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 1qtt s ARG 78 CO 0.00 -0.30 -0.11 0.71 0.02 0.00 0.00 175.30 175.62 1qtt s TYR 79 N -3.86 2.86 -0.23 -0.53 1.51 0.24 -0.14 117.35 117.19 1qtt s TYR 79 Ca 0.06 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1qtt s TYR 79 Cb 0.04 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1qtt s TYR 79 CO -0.10 -0.12 0.12 1.41 -1.11 0.00 0.00 175.55 175.75 1qtt s MET 80 N 0.23 3.95 0.50 -0.62 -2.45 0.34 0.79 119.30 122.04 1qtt s MET 80 Ca -0.07 -0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 53.95 1qtt s MET 80 Cb -0.15 -3.42 0.12 0.00 1.25 0.00 0.00 34.83 32.63 1qtt s MET 80 CO 0.05 0.04 0.68 -0.40 1.05 0.00 0.00 175.02 176.44 1qtt n ASP 81 N 4.29 0.07 -0.43 1.11 5.68 -0.66 0.21 116.55 126.82 1qtt n ASP 81 Ca -0.16 -1.26 0.05 0.00 -0.50 0.00 0.00 54.79 52.92 1qtt n ASP 81 Cb 0.52 -0.52 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1qtt n ASP 81 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1qtt n ASN 82 N -3.43 2.10 -0.08 -1.12 5.15 -1.20 -4.54 115.26 112.13 1qtt n ASN 82 Ca 0.09 -1.58 -0.19 0.00 -0.60 0.00 0.00 54.58 52.30 1qtt n ASN 82 Cb 0.30 -0.06 -0.12 0.00 -0.53 0.00 0.00 39.78 39.37 1qtt n ASN 82 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1qtt h ASN 83 N 1.85 0.05 0.00 1.20 -1.24 -1.94 -3.48 115.58 112.01 1qtt h ASN 83 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 56.30 56.27 1qtt h ASN 83 Cb 0.49 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.52 1qtt h ASN 83 CO 0.00 1.32 0.00 -0.24 -1.29 0.00 0.00 177.43 177.22 1qtt n SER 84 N -4.44 0.00 -3.82 1.15 2.88 -1.26 -5.17 113.62 102.97 1qtt n SER 84 Ca -0.23 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.21 1qtt n SER 84 Cb 0.63 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qtt s ARG 85 N 0.00 0.78 -0.18 -1.46 0.52 -1.26 -5.07 118.95 112.28 1qtt s ARG 85 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1qtt s ARG 85 Cb 0.00 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.82 1qtt s ARG 85 CO 0.00 -0.25 -0.20 -1.17 0.02 0.00 0.00 175.30 173.71 1qtt s LEU 86 N -2.35 2.15 -0.03 2.53 1.98 -1.26 -1.65 118.68 120.04 1qtt s LEU 86 Ca -0.02 -0.66 -0.14 0.00 -2.89 0.00 0.00 54.13 50.42 1qtt s LEU 86 Cb 0.01 -1.48 -0.05 0.00 0.66 0.00 0.00 46.19 45.33 1qtt s LEU 86 CO -0.06 -0.00 0.38 0.26 -1.89 0.00 0.00 176.35 175.03 1qtt s TRP 87 N 1.29 3.68 -0.24 5.38 0.52 0.24 -4.17 118.94 125.64 1qtt s TRP 87 Ca 0.05 0.91 -0.15 0.00 0.02 0.00 0.00 56.10 56.93 1qtt s TRP 87 Cb -0.13 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 1qtt s TRP 87 CO -0.13 0.59 0.37 -1.14 0.02 0.00 0.00 176.95 176.66 1qtt s GLN 88 N -0.82 4.09 -0.73 4.98 0.74 0.86 0.79 119.66 129.56 1qtt s GLN 88 Ca 0.22 0.09 -0.26 0.00 0.05 0.00 0.00 55.36 55.46 1qtt s GLN 88 Cb -0.16 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.27 1qtt s GLN 88 CO 0.11 -0.16 2.22 0.42 -0.55 0.00 0.00 175.29 177.34 1qtt s ILE 89 N 1.69 3.16 0.22 -2.34 -1.09 -1.10 -0.19 121.20 121.56 1qtt s ILE 89 Ca 0.16 -0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.44 1qtt s ILE 89 Cb -0.15 -3.39 0.17 0.00 -1.58 0.00 0.00 42.46 37.51 1qtt s ILE 89 CO 0.09 -0.37 1.74 1.56 -1.23 0.00 0.00 174.94 176.72 1qtt h GLN 90 N 14.18 0.40 -1.40 2.79 1.08 -0.29 -3.45 115.11 128.42 1qtt h GLN 90 Ca -0.06 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.24 1qtt h GLN 90 Cb 1.08 -0.09 -0.26 0.00 -0.05 0.00 0.00 27.48 28.17 1qtt h GLN 90 CO 1.12 0.26 0.66 -3.38 -0.95 0.00 0.00 178.83 176.54 1qtt s HIS 91 N -6.07 -0.28 -0.15 2.96 -3.43 -1.21 -4.97 115.29 102.14 1qtt s HIS 91 Ca -0.13 0.54 -0.04 0.00 -0.80 0.00 0.00 55.06 54.63 1qtt s HIS 91 Cb 0.18 0.45 0.06 0.00 -1.43 0.00 0.00 32.58 31.84 1qtt s HIS 91 CO 0.75 -0.22 0.12 -1.58 -2.00 0.00 0.00 174.74 171.81 1qtt s HIS 92 N -0.73 0.03 0.05 0.38 2.46 -1.26 0.21 115.29 116.43 1qtt s HIS 92 Ca 0.02 -0.01 -0.01 0.00 0.47 0.00 0.00 55.06 55.54 1qtt s HIS 92 Cb -0.02 -0.54 0.00 0.00 -0.13 0.00 0.00 32.58 31.90 1qtt s HIS 92 CO -0.04 -0.46 0.08 1.47 -2.47 0.00 0.00 174.74 173.32 1qtt n LEU 93 N 5.30 0.00 -4.14 8.88 -0.00 -1.14 -4.88 117.00 121.03 1qtt n LEU 93 Ca -0.06 -0.35 -0.33 0.00 -0.00 0.00 0.00 56.01 55.27 1qtt n LEU 93 Cb 0.49 0.40 -0.16 0.00 -0.00 0.00 0.00 43.42 44.15 1qtt n LEU 93 CO 0.08 -0.10 -0.53 -0.32 -0.00 0.00 0.00 177.39 176.52 1qtt s MET 94 N -2.06 2.96 -0.06 1.47 -2.45 -1.26 -0.83 119.30 117.07 1qtt s MET 94 Ca 0.03 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.69 1qtt s MET 94 Cb -0.00 -2.48 -0.00 0.00 1.25 0.00 0.00 34.83 33.60 1qtt s MET 94 CO 0.02 -0.12 -0.19 0.08 1.05 0.00 0.00 175.02 175.86 1qtt s VAL 95 N 1.08 1.59 -1.54 10.11 1.01 0.43 -4.71 120.40 128.37 1qtt s VAL 95 Ca -0.01 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1qtt s VAL 95 Cb -0.14 -1.37 0.10 0.00 0.00 0.00 0.00 36.38 34.97 1qtt s VAL 95 CO -0.08 0.45 0.84 0.54 0.00 0.00 0.00 175.10 176.86 1qtt n ARG 96 N 3.26 -4.55 -1.94 2.72 1.74 -1.26 0.87 116.66 117.51 1qtt n ARG 96 Ca -0.19 0.53 -0.15 0.00 -0.77 0.00 0.00 57.85 57.28 1qtt n ARG 96 Cb 0.53 -5.35 -0.03 0.00 -1.02 0.00 0.00 32.46 26.58 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qtt n GLY 97 N -1.52 0.46 2.95 -0.13 0.00 -1.26 -4.99 105.19 100.70 1qtt n GLY 97 Ca 0.04 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1qtt n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtt s VAL 98 N -2.66 0.72 -0.35 1.61 1.01 0.25 -5.04 120.40 115.94 1qtt s VAL 98 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1qtt s VAL 98 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1qtt s VAL 98 CO 0.00 0.26 1.05 -1.10 0.00 0.00 0.00 175.10 175.30 1qtt s GLN 99 N 0.67 3.97 -0.35 2.72 1.11 -1.25 0.16 119.66 126.70 1qtt s GLN 99 Ca -0.11 0.89 -0.07 0.00 0.01 0.00 0.00 55.36 56.09 1qtt s GLN 99 Cb -0.13 -3.77 0.04 0.00 -1.01 0.00 0.00 33.01 28.13 1qtt s GLN 99 CO 0.01 -0.97 0.12 -2.00 0.01 0.00 0.00 175.29 172.46 1qtt s GLU 100 N 3.71 2.65 -0.24 2.91 2.12 -0.01 0.62 118.70 130.46 1qtt s GLU 100 Ca 0.44 -1.17 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 1qtt s GLU 100 Cb -0.11 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1qtt s GLU 100 CO 0.18 -0.68 0.07 -1.17 -0.54 0.00 0.00 175.26 173.12 1qtt s LEU 101 N 1.42 3.53 -0.23 2.70 0.20 0.78 -2.88 118.68 124.20 1qtt s LEU 101 Ca -0.01 -0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.54 1qtt s LEU 101 Cb -0.20 -1.93 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 1qtt s LEU 101 CO 0.03 0.01 0.25 -0.76 -0.29 0.00 0.00 176.35 175.59 1qtt s LEU 102 N 1.36 4.13 -0.14 -0.68 1.43 0.13 0.26 118.68 125.18 1qtt s LEU 102 Ca 0.05 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1qtt s LEU 102 Cb -0.15 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1qtt s LEU 102 CO 0.04 0.01 -0.14 -0.76 0.23 0.00 0.00 176.35 175.72 1qtt s LEU 103 N 1.18 2.62 -0.12 1.79 1.43 -0.97 0.49 118.68 125.08 1qtt s LEU 103 Ca 0.12 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1qtt s LEU 103 Cb -0.14 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1qtt s LEU 103 CO 0.06 0.14 -0.20 -0.75 0.23 0.00 0.00 176.35 175.83 1qtt s LYS 104 N 0.50 3.14 -0.25 1.70 2.47 0.74 0.11 119.74 128.15 1qtt s LYS 104 Ca -0.10 -0.81 -0.07 0.00 -1.56 0.00 0.00 55.97 53.43 1qtt s LYS 104 Cb -0.16 -2.45 -0.03 0.00 -1.46 0.00 0.00 37.83 33.73 1qtt s LYS 104 CO 0.04 0.12 0.06 -1.17 0.16 0.00 0.00 175.35 174.56 1qtt s LEU 105 N 0.52 3.39 0.40 5.43 2.96 0.58 0.29 118.68 132.25 1qtt s LEU 105 Ca -0.13 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.32 1qtt s LEU 105 Cb -0.17 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 1qtt s LEU 105 CO 0.05 -0.03 1.11 -0.76 -1.32 0.00 0.00 176.35 175.40 1qtt s LEU 106 N 1.58 4.17 -0.19 -0.68 2.01 -1.26 -3.33 118.68 120.99 1qtt s LEU 106 Ca 0.06 2.21 -0.29 0.00 0.01 0.00 0.00 54.13 56.12 1qtt s LEU 106 Cb -0.15 -4.09 -0.01 0.00 0.01 0.00 0.00 46.19 41.95 1qtt s LEU 106 CO 0.03 -0.59 1.29 -2.16 1.01 0.00 0.00 176.35 175.93 1qtt s PRO 107 N -2.37 4.16 -0.46 1.29 0.04 -1.26 -4.91 135.00 131.50 1qtt s PRO 107 Ca 0.57 1.61 -0.34 0.00 0.04 0.00 0.00 61.00 62.89 1qtt s PRO 107 Cb -0.27 -3.80 -0.12 0.00 0.04 0.00 0.00 34.50 30.35 1qtt s PRO 107 CO 0.34 -0.80 2.29 -0.25 0.04 0.00 0.00 177.00 178.62 1qtt n ASP 108 N 6.86 1.88 -4.67 6.66 8.00 -1.26 -4.74 116.55 129.27 1qtt n ASP 108 Ca 0.14 0.25 -0.63 0.00 0.71 0.00 0.00 54.79 55.27 1qtt n ASP 108 Cb 0.45 -1.26 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 1qtt n ASP 108 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qtt n ASP 109 N 10.79 1.16 -4.04 -2.24 8.00 -1.26 -4.93 116.55 124.03 1qtt n ASP 109 Ca 0.44 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 57.01 1qtt n ASP 109 Cb 0.24 -0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 40.27 1qtt n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qtt s ARG 110 N 2.14 0.48 -0.07 -1.24 1.70 -1.26 -5.11 118.95 115.59 1qtt s ARG 110 Ca 0.99 -0.87 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 1qtt s ARG 110 Cb -1.32 0.04 -0.07 0.00 -0.57 0.00 0.00 34.95 33.03 1qtt s ARG 110 CO 0.70 -0.05 1.98 0.45 -1.08 0.00 0.00 175.30 177.30 1qtt s SER 111 N -2.02 6.18 0.79 -2.89 0.15 -1.26 -4.96 113.70 109.69 1qtt s SER 111 Ca -0.06 2.32 -0.11 0.00 0.70 0.00 0.00 55.95 58.79 1qtt s SER 111 Cb -0.04 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 1qtt s SER 111 CO -0.04 -1.32 1.10 -2.16 1.20 0.00 0.00 173.24 172.02 1qtt s PRO 112 N 4.99 2.11 0.00 5.44 0.04 -1.26 -5.08 135.00 141.24 1qtt s PRO 112 Ca 0.89 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1qtt s PRO 112 Cb -0.37 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1qtt s PRO 112 CO 0.38 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1qtt n GLY 113 N -2.11 0.23 3.57 0.56 0.00 -1.26 -5.04 105.19 101.13 1qtt n GLY 113 Ca 0.07 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1qtt n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qtt s ILE 114 N 0.18 5.17 -0.56 -0.61 1.10 -1.26 -5.03 121.20 120.19 1qtt s ILE 114 Ca 0.00 0.25 -0.19 0.00 -0.51 0.00 0.00 60.65 60.19 1qtt s ILE 114 Cb 0.00 -3.77 0.08 0.00 0.15 0.00 0.00 42.46 38.92 1qtt s ILE 114 CO 0.00 -0.00 0.70 -1.00 -2.11 0.00 0.00 174.94 172.53 1qtt s HIS 115 N 2.05 2.98 -0.19 3.50 3.76 -1.26 -4.62 115.29 121.51 1qtt s HIS 115 Ca 0.13 -0.73 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1qtt s HIS 115 Cb -0.16 -3.85 0.01 0.00 1.11 0.00 0.00 32.58 29.69 1qtt s HIS 115 CO 0.11 -1.22 0.04 -2.13 -0.85 0.00 0.00 174.74 170.69 1qtt n ARG 116 N 6.42 -2.61 0.00 1.40 0.63 -1.26 -5.34 116.66 115.91 1qtt n ARG 116 Ca -0.07 2.20 0.06 0.00 -0.92 0.00 0.00 57.85 59.12 1qtt n ARG 116 Cb 0.44 -3.97 0.39 0.00 0.45 0.00 0.00 32.46 29.76 1qtt n ARG 116 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72