#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 -1.73 -1.62 1.61 2.88 -1.26 -5.15 113.62 108.35 1qtt n SER 2 Ca 0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1qtt n SER 2 Cb 0.00 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 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 -2.90 -4.20 -3.54 -1.46 0.00 -1.26 -5.09 117.12 98.68 1qtt n MET 3 Ca 0.00 3.07 -0.17 0.00 0.00 0.00 0.00 57.70 60.60 1qtt n MET 3 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 33.22 29.93 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 -0.79 -1.77 -0.17 3.04 0.00 -1.26 -5.15 121.76 115.65 1qtt s ALA 4 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1qtt s ALA 4 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1qtt s ALA 4 CO 0.00 -0.37 -0.19 0.20 0.00 0.00 0.00 175.76 175.40 1qtt s GLY 5 N -0.98 1.34 0.64 0.00 0.00 -1.26 -5.12 107.32 101.95 1qtt s GLY 5 Ca -0.09 -1.15 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 1qtt s GLY 5 CO 0.09 0.30 1.09 1.85 0.00 0.00 0.00 173.10 176.43 1qtt s GLU 6 N 1.29 2.97 -0.14 2.90 2.12 -1.26 -5.06 118.70 121.52 1qtt s GLU 6 Ca 0.04 1.31 -0.30 0.00 0.36 0.00 0.00 54.97 56.38 1qtt s GLU 6 Cb -0.13 -1.98 0.11 0.00 0.26 0.00 0.00 34.13 32.39 1qtt s GLU 6 CO -0.12 -1.11 0.90 0.16 -0.54 0.00 0.00 175.26 174.56 1qtt s ASP 7 N -2.71 -0.47 1.11 -1.70 1.47 -1.26 -5.08 116.67 108.03 1qtt s ASP 7 Ca 0.65 0.55 -0.12 0.00 1.18 0.00 0.00 52.55 54.81 1qtt s ASP 7 Cb -0.19 0.44 0.25 0.00 -0.34 0.00 0.00 42.92 43.08 1qtt s ASP 7 CO 0.41 -0.40 1.05 -0.69 0.68 0.00 0.00 175.17 176.21 1qtt s VAL 8 N -1.00 2.06 -0.09 2.11 1.01 -1.26 -5.01 120.40 118.22 1qtt s VAL 8 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1qtt s VAL 8 Cb -0.01 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1qtt s VAL 8 CO 0.03 -0.03 -0.10 1.23 0.00 0.00 0.00 175.10 176.24 1qtt h GLY 9 N -2.41 0.00 -4.84 4.51 0.00 -2.01 -3.50 103.07 94.82 1qtt h GLY 9 Ca -0.58 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1qtt h GLY 9 CO 0.51 0.00 0.13 0.00 0.00 0.00 0.00 176.54 177.18 1qtt s ALA 10 N -2.82 -1.75 0.98 3.60 0.00 -1.26 -5.18 121.76 115.33 1qtt s ALA 10 Ca -0.08 1.88 -0.15 0.00 0.00 0.00 0.00 51.96 53.61 1qtt s ALA 10 Cb 0.01 -0.97 0.18 0.00 0.00 0.00 0.00 23.12 22.34 1qtt s ALA 10 CO 0.12 -0.34 1.17 -1.25 0.00 0.00 0.00 175.76 175.47 1qtt s PRO 11 N 0.11 0.54 -0.78 0.00 0.04 -1.26 -4.93 135.00 128.73 1qtt s PRO 11 Ca -0.02 0.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.82 1qtt s PRO 11 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO 0.02 -2.56 1.61 -1.25 0.04 0.00 0.00 177.00 174.87 1qtt s PRO 12 N -5.45 2.97 0.58 0.56 0.04 -1.26 -4.81 135.00 127.64 1qtt s PRO 12 Ca 0.68 -0.13 0.34 0.00 0.04 0.00 0.00 61.00 61.92 1qtt s PRO 12 Cb -0.11 -4.60 1.32 0.00 0.04 0.00 0.00 34.50 31.14 1qtt s PRO 12 CO 0.54 -2.55 1.56 0.22 0.04 0.00 0.00 177.00 176.80 1qtt h ASP 13 N 11.78 0.00 -4.85 6.66 -0.00 -1.96 -3.40 116.42 124.66 1qtt h ASP 13 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.82 1qtt h ASP 13 Cb 1.07 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 40.20 1qtt h ASP 13 CO 1.28 0.00 -0.04 -1.38 -0.00 0.00 0.00 179.24 179.10 1qtt s HIS 14 N -4.65 -0.45 0.06 0.28 -3.43 -1.26 -1.03 115.29 104.80 1qtt s HIS 14 Ca -0.04 0.82 0.06 0.00 -0.80 0.00 0.00 55.06 55.10 1qtt s HIS 14 Cb 0.19 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1qtt s HIS 14 CO 0.64 -0.47 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.22 1qtt s LEU 15 N -1.04 2.21 -0.20 5.38 1.43 -1.15 -3.53 118.68 121.78 1qtt s LEU 15 Ca -0.11 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1qtt s LEU 15 Cb -0.03 -0.72 0.06 0.00 0.03 0.00 0.00 46.19 45.53 1qtt s LEU 15 CO 0.06 0.05 -0.01 0.26 0.23 0.00 0.00 176.35 176.94 1qtt s TRP 16 N -0.98 1.59 -0.11 0.29 0.51 0.32 -1.88 118.94 118.69 1qtt s TRP 16 Ca 0.03 -1.19 -0.29 0.00 -2.12 0.00 0.00 56.10 52.53 1qtt s TRP 16 Cb -0.09 -1.25 -0.03 0.00 -0.81 0.00 0.00 33.47 31.28 1qtt s TRP 16 CO 0.02 -0.66 1.45 0.54 -0.51 0.00 0.00 176.95 177.79 1qtt s VAL 17 N 1.67 3.93 -0.06 4.03 0.11 -0.70 0.16 120.40 129.55 1qtt s VAL 17 Ca -0.02 1.13 0.03 0.00 -2.93 0.00 0.00 61.98 60.19 1qtt s VAL 17 Cb -0.17 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.89 1qtt s VAL 17 CO -0.07 -0.10 -0.01 1.57 -3.33 0.00 0.00 175.10 173.16 1qtt n HIS 18 N 6.83 0.00 -4.22 1.54 -0.00 -1.19 -4.95 115.22 113.24 1qtt n HIS 18 Ca 0.15 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.18 1qtt n HIS 18 Cb 0.44 -0.25 -0.10 0.00 -0.12 0.00 0.00 29.99 29.95 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 -2.13 0.98 -0.29 1.57 -0.21 -1.26 -3.95 119.66 114.39 1qtt s GLN 19 Ca -0.05 -1.31 -0.34 0.00 0.02 0.00 0.00 55.36 53.68 1qtt s GLN 19 Cb 0.02 -0.65 -0.11 0.00 1.00 0.00 0.00 33.01 33.27 1qtt s GLN 19 CO 0.19 0.10 2.12 -1.91 -2.12 0.00 0.00 175.29 173.67 1qtt n GLU 20 N 0.21 1.37 -2.07 2.91 2.13 -1.26 0.76 120.64 124.69 1qtt n GLU 20 Ca -0.13 0.41 -0.07 0.00 0.66 0.00 0.00 57.16 58.03 1qtt n GLU 20 Cb 0.59 -2.58 -0.00 0.00 0.27 0.00 0.00 31.44 29.71 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qtt n GLY 21 N 5.98 0.15 3.12 8.31 0.00 -1.26 -4.92 105.19 116.57 1qtt n GLY 21 Ca 0.36 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.32 0.75 -0.01 -0.61 1.09 0.23 0.20 121.20 120.53 1qtt s ILE 22 Ca 0.00 -1.32 -0.14 0.00 -1.10 0.00 0.00 60.65 58.09 1qtt s ILE 22 Cb 0.00 -0.95 0.02 0.00 -1.06 0.00 0.00 42.46 40.47 1qtt s ILE 22 CO 0.00 -0.43 0.29 -0.31 -0.10 0.00 0.00 174.94 174.39 1qtt s TYR 23 N -1.78 -0.15 -0.15 3.97 2.02 0.69 -3.14 117.35 118.81 1qtt s TYR 23 Ca -0.03 0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1qtt s TYR 23 Cb -0.07 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1qtt s TYR 23 CO 0.00 -0.38 0.04 0.50 -1.57 0.00 0.00 175.55 174.14 1qtt s ARG 24 N -1.34 3.67 0.98 -0.62 3.52 0.43 0.28 118.95 125.87 1qtt s ARG 24 Ca -0.14 -0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 1qtt s ARG 24 Cb -0.06 -3.07 0.21 0.00 -1.56 0.00 0.00 34.95 30.48 1qtt s ARG 24 CO 0.04 0.40 1.34 0.34 -0.81 0.00 0.00 175.30 176.61 1qtt s ASP 25 N -0.01 2.96 -0.21 -2.12 -1.08 0.51 -0.53 116.67 116.20 1qtt s ASP 25 Ca 0.05 0.20 0.06 0.00 -0.52 0.00 0.00 52.55 52.34 1qtt s ASP 25 Cb -0.12 -0.19 0.50 0.00 -1.46 0.00 0.00 42.92 41.64 1qtt s ASP 25 CO 0.01 -2.82 1.43 1.21 0.52 0.00 0.00 175.17 175.52 1qtt n GLU 26 N -3.81 2.86 -1.31 4.34 2.13 -1.23 -3.80 120.64 119.82 1qtt n GLU 26 Ca 0.16 -2.02 -0.02 0.00 0.66 0.00 0.00 57.16 55.95 1qtt n GLU 26 Cb 0.59 -1.91 -0.02 0.00 0.27 0.00 0.00 31.44 30.37 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 0.02 -0.02 -3.23 4.31 4.01 -1.26 -4.98 117.16 116.00 1qtt n TYR 27 Ca 0.26 -0.57 -0.16 0.00 -0.16 0.00 0.00 57.90 57.28 1qtt n TYR 27 Cb 1.03 0.21 0.06 0.00 -0.31 0.00 0.00 39.34 40.33 1qtt n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qtt n GLN 28 N 0.18 -5.55 -4.03 -0.72 6.02 -1.25 -5.00 117.38 107.02 1qtt n GLN 28 Ca -0.12 0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 57.14 1qtt n GLN 28 Cb 0.91 -4.94 -0.15 0.00 1.02 0.00 0.00 30.24 27.08 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qtt s ARG 29 N -5.72 2.72 0.38 -1.09 0.52 -1.26 -4.92 118.95 109.57 1qtt s ARG 29 Ca 0.33 -1.03 -0.24 0.00 -0.52 0.00 0.00 55.73 54.26 1qtt s ARG 29 Cb -0.14 -2.84 -0.09 0.00 0.52 0.00 0.00 34.95 32.39 1qtt s ARG 29 CO 0.53 -0.39 1.02 0.95 0.02 0.00 0.00 175.30 177.42 1qtt s THR 30 N 1.25 3.89 0.17 0.02 -4.23 -1.26 0.19 115.64 115.68 1qtt s THR 30 Ca -0.01 1.47 0.06 0.00 -1.18 0.00 0.00 61.69 62.03 1qtt s THR 30 Cb -0.16 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1qtt s THR 30 CO -0.07 0.02 -0.12 0.26 -0.54 0.00 0.00 174.62 174.17 1qtt s TRP 31 N -1.68 1.46 -0.31 3.99 0.52 0.81 -2.82 118.94 120.92 1qtt s TRP 31 Ca 0.56 -0.65 0.01 0.00 0.02 0.00 0.00 56.10 56.04 1qtt s TRP 31 Cb -0.20 -0.72 0.09 0.00 -1.15 0.00 0.00 33.47 31.49 1qtt s TRP 31 CO 0.26 0.20 0.06 0.08 0.02 0.00 0.00 176.95 177.57 1qtt s VAL 32 N -2.99 1.52 -0.25 4.03 1.01 0.66 -0.22 120.40 124.15 1qtt s VAL 32 Ca 0.18 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1qtt s VAL 32 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1qtt s VAL 32 CO 0.03 -0.57 0.71 0.00 0.00 0.00 0.00 175.10 175.27 1qtt s ALA 33 N 1.30 3.63 -0.43 5.51 0.00 0.54 0.13 121.76 132.44 1qtt s ALA 33 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1qtt s ALA 33 Cb -0.18 -3.13 0.11 0.00 0.00 0.00 0.00 23.12 19.92 1qtt s ALA 33 CO -0.16 -0.86 0.25 0.08 0.00 0.00 0.00 175.76 175.08 1qtt s VAL 34 N 2.64 3.56 0.03 0.00 1.01 0.51 -4.00 120.40 124.16 1qtt s VAL 34 Ca 0.30 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 1qtt s VAL 34 Cb -0.15 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1qtt s VAL 34 CO 0.08 -0.72 1.85 0.54 0.00 0.00 0.00 175.10 176.85 1qtt s VAL 35 N 1.16 3.11 -0.32 2.92 0.11 -1.26 -1.64 120.40 124.49 1qtt s VAL 35 Ca 0.08 0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1qtt s VAL 35 Cb -0.24 -3.15 0.14 0.00 -1.53 0.00 0.00 36.38 31.60 1qtt s VAL 35 CO -0.03 -0.02 0.28 -1.61 -3.33 0.00 0.00 175.10 170.39 1qtt s GLU 36 N 4.05 0.41 0.16 1.54 0.41 0.27 -4.97 118.70 120.56 1qtt s GLU 36 Ca 0.83 -0.54 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 1qtt s GLU 36 Cb -0.40 -0.84 -0.08 0.00 -1.78 0.00 0.00 34.13 31.02 1qtt s GLU 36 CO 0.37 -1.09 1.28 -1.83 -0.49 0.00 0.00 175.26 173.50 1qtt s GLU 37 N 1.92 4.41 -0.02 1.61 -1.05 -1.26 -3.27 118.70 121.04 1qtt s GLU 37 Ca 0.12 1.97 -0.03 0.00 -0.15 0.00 0.00 54.97 56.89 1qtt s GLU 37 Cb -0.16 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1qtt s GLU 37 CO -0.22 -0.25 0.06 -1.21 0.95 0.00 0.00 175.26 174.59 1qtt s GLU 38 N 0.28 0.16 -1.31 -4.83 2.02 -1.18 -4.81 118.70 109.03 1qtt s GLU 38 Ca 0.58 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1qtt s GLU 38 Cb -0.35 0.07 0.00 0.00 0.10 0.00 0.00 34.13 33.95 1qtt s GLU 38 CO 0.35 -0.03 0.00 2.41 0.02 0.00 0.00 175.26 178.01 1qtt n THR 39 N 2.64 -0.33 -2.57 3.63 -1.04 -1.26 -0.08 114.28 115.27 1qtt n THR 39 Ca -0.15 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.82 1qtt n THR 39 Cb 0.58 -1.63 0.01 0.00 -1.82 0.00 0.00 70.33 67.47 1qtt n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qtt n SER 40 N -1.21 -2.53 -4.23 8.00 7.64 -1.26 -5.06 113.62 114.97 1qtt n SER 40 Ca -0.15 -0.09 -0.28 0.00 1.01 0.00 0.00 58.87 59.36 1qtt n SER 40 Cb 0.54 -1.20 -0.08 0.00 -1.01 0.00 0.00 64.21 62.46 1qtt n SER 40 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qtt s PHE 41 N -3.05 1.78 -0.46 1.43 0.08 0.88 -5.03 117.98 113.60 1qtt s PHE 41 Ca 0.07 -1.26 0.03 0.00 0.12 0.00 0.00 56.93 55.89 1qtt s PHE 41 Cb -0.03 -1.26 0.13 0.00 -0.57 0.00 0.00 43.02 41.29 1qtt s PHE 41 CO 0.11 -0.21 0.23 -0.51 -0.10 0.00 0.00 175.22 174.74 1qtt s LEU 42 N -3.70 3.40 -0.22 -0.37 2.01 -1.23 -3.08 118.68 115.49 1qtt s LEU 42 Ca 0.16 -2.73 -0.09 0.00 0.01 0.00 0.00 54.13 51.49 1qtt s LEU 42 Cb 0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 46.19 44.87 1qtt s LEU 42 CO 0.11 -0.26 0.11 -0.60 1.01 0.00 0.00 176.35 176.72 1qtt s ARG 43 N 0.16 3.99 -0.73 1.70 3.52 -1.20 0.17 118.95 126.55 1qtt s ARG 43 Ca 0.17 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1qtt s ARG 43 Cb -0.25 -3.39 0.18 0.00 -1.56 0.00 0.00 34.95 29.93 1qtt s ARG 43 CO -0.01 0.11 0.57 0.00 -0.81 0.00 0.00 175.30 175.16 1qtt s ALA 44 N 0.86 3.86 -0.27 6.12 0.00 0.49 0.94 121.76 133.75 1qtt s ALA 44 Ca 0.06 -3.58 -0.28 0.00 0.00 0.00 0.00 51.96 48.16 1qtt s ALA 44 Cb -0.13 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1qtt s ALA 44 CO 0.03 -2.12 2.24 0.50 0.00 0.00 0.00 175.76 176.40 1qtt s ARG 45 N -0.79 2.96 -0.34 0.00 3.52 -0.65 -2.72 118.95 120.92 1qtt s ARG 45 Ca 0.22 1.89 -0.16 0.00 -0.13 0.00 0.00 55.73 57.56 1qtt s ARG 45 Cb -0.13 -4.40 -0.01 0.00 -1.56 0.00 0.00 34.95 28.84 1qtt s ARG 45 CO -0.09 -2.30 0.38 0.08 -0.81 0.00 0.00 175.30 172.56 1qtt s VAL 46 N 8.94 5.15 -0.17 7.11 1.01 0.91 0.19 120.40 143.54 1qtt s VAL 46 Ca 0.99 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 1qtt s VAL 46 Cb -0.30 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1qtt s VAL 46 CO 0.33 -0.09 -0.07 -1.58 0.00 0.00 0.00 175.10 173.70 1qtt s GLN 47 N 2.08 3.49 -0.26 2.72 0.74 0.36 0.32 119.66 129.11 1qtt s GLN 47 Ca 0.13 -0.60 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 1qtt s GLN 47 Cb -0.16 -2.86 -0.00 0.00 1.10 0.00 0.00 33.01 31.09 1qtt s GLN 47 CO 0.12 0.10 0.81 -1.14 -0.55 0.00 0.00 175.29 174.63 1qtt s GLN 48 N 0.70 4.14 0.14 1.67 -0.44 0.50 0.24 119.66 126.60 1qtt s GLN 48 Ca -0.03 0.85 -0.17 0.00 -2.50 0.00 0.00 55.36 53.51 1qtt s GLN 48 Cb -0.15 -3.66 0.04 0.00 -1.64 0.00 0.00 33.01 27.60 1qtt s GLN 48 CO 0.02 -0.55 0.44 0.96 0.50 0.00 0.00 175.29 176.66 1qtt s ILE 49 N 2.86 0.06 -0.36 -2.34 -0.00 -1.13 -3.63 121.20 116.65 1qtt s ILE 49 Ca 0.34 -0.57 -0.22 0.00 -0.00 0.00 0.00 60.65 60.21 1qtt s ILE 49 Cb -0.15 -1.23 0.01 0.00 -0.00 0.00 0.00 42.46 41.09 1qtt s ILE 49 CO 0.08 -0.25 0.71 0.00 -0.00 0.00 0.00 174.94 175.49 1qtt s GLN 50 N -3.81 3.70 -0.18 0.37 0.00 -1.26 -4.35 119.66 114.12 1qtt s GLN 50 Ca 0.04 0.17 -0.16 0.00 -0.00 0.00 0.00 55.36 55.41 1qtt s GLN 50 Cb 0.01 -3.82 0.05 0.00 0.00 0.00 0.00 33.01 29.25 1qtt s GLN 50 CO -0.10 -0.81 0.48 0.54 0.00 0.00 0.00 175.29 175.39 1qtt s VAL 51 N 2.92 -0.00 -0.03 3.63 0.11 -1.26 -5.14 120.40 120.63 1qtt s VAL 51 Ca 0.28 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1qtt s VAL 51 Cb -0.14 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1qtt s VAL 51 CO 0.16 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 170.98 1qtt s PRO 52 N 0.37 4.36 -0.27 1.54 0.04 -1.26 -4.96 135.00 134.83 1qtt s PRO 52 Ca -0.01 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1qtt s PRO 52 Cb -0.04 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1qtt s PRO 52 CO -0.01 -0.42 1.70 -0.51 0.04 0.00 0.00 177.00 177.81 1qtt s LEU 53 N 2.01 3.72 0.00 -3.56 1.43 -1.26 -4.94 118.68 116.08 1qtt s LEU 53 Ca 0.57 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1qtt s LEU 53 Cb -0.26 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1qtt s LEU 53 CO 0.24 -1.46 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1qtt n GLY 54 N 5.03 0.47 1.70 -3.19 0.00 -1.26 -4.97 105.19 102.97 1qtt n GLY 54 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1qtt n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qtt n ASP 55 N 0.00 -0.37 -2.75 1.61 9.92 -1.26 -5.05 116.55 118.65 1qtt n ASP 55 Ca 0.00 -1.10 -0.09 0.00 -0.53 0.00 0.00 54.79 53.07 1qtt n ASP 55 Cb 0.00 -0.46 0.09 0.00 -0.64 0.00 0.00 41.12 40.11 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qtt n ALA 56 N -3.51 0.04 -2.83 2.24 0.00 -1.26 -4.60 120.51 110.59 1qtt n ALA 56 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1qtt n ALA 56 Cb 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.07 0.00 -3.05 0.00 0.00 -1.25 -5.04 120.51 111.24 1qtt n ALA 57 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1qtt n ALA 57 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 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 1.20 0.11 0.00 1.74 -1.26 -4.79 116.66 113.66 1qtt n ARG 58 Ca 0.00 -3.47 -0.04 0.00 -0.77 0.00 0.00 57.85 53.57 1qtt n ARG 58 Cb 0.00 -1.66 0.06 0.00 -1.02 0.00 0.00 32.46 29.84 1qtt n ARG 58 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qtt h PRO 59 N 2.99 0.02 0.03 5.56 0.13 -1.97 -1.55 132.00 137.20 1qtt h PRO 59 Ca 0.07 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 1qtt h PRO 59 Cb 0.98 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.13 1qtt h PRO 59 CO 0.53 0.77 -0.71 1.03 -0.23 0.00 0.00 178.00 179.38 1qtt h SER 60 N 0.01 0.58 0.35 1.44 0.87 -1.94 0.10 113.55 114.96 1qtt h SER 60 Ca -0.01 -0.79 -0.07 0.00 -1.23 0.00 0.00 61.79 59.69 1qtt h SER 60 Cb 1.34 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1qtt h SER 60 CO 0.10 1.30 -0.34 0.45 -0.53 0.00 0.00 176.83 177.81 1qtt h HIS 61 N -0.07 0.00 0.20 2.24 3.86 -1.89 1.64 115.15 121.13 1qtt h HIS 61 Ca -0.10 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.80 1qtt h HIS 61 Cb 1.43 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.93 1qtt h HIS 61 CO 0.15 0.34 -1.41 -0.07 0.86 0.00 0.00 177.93 177.81 1qtt h LEU 62 N 0.00 0.66 0.00 2.43 3.38 -1.28 -2.19 115.31 118.32 1qtt h LEU 62 Ca -0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1qtt h LEU 62 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qtt h LEU 62 CO 0.04 1.57 0.00 -0.11 0.09 0.00 0.00 178.44 180.03 1qtt n LEU 63 N -3.63 0.06 0.18 1.67 7.94 0.36 -4.63 117.00 118.95 1qtt n LEU 63 Ca -0.14 0.46 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 1qtt n LEU 63 Cb 1.07 -0.49 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1qtt n LEU 63 CO 0.57 -0.49 0.28 0.74 -1.11 0.00 0.00 177.39 177.39 1qtt h THR 64 N 0.00 0.17 -5.01 1.96 2.02 0.21 -3.49 112.91 108.77 1qtt h THR 64 Ca 0.00 -0.64 -0.22 0.00 0.77 0.00 0.00 66.41 66.31 1qtt h THR 64 Cb 0.00 0.27 0.16 0.00 -1.74 0.00 0.00 68.15 66.84 1qtt h THR 64 CO 0.00 0.04 -0.69 -1.54 0.37 0.00 0.00 175.52 173.70 1qtt n SER 65 N -5.14 -4.84 0.06 4.18 3.41 0.39 -4.95 113.62 106.74 1qtt n SER 65 Ca -0.08 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1qtt n SER 65 Cb 0.24 -4.37 0.00 0.00 -0.26 0.00 0.00 64.21 59.83 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 -3.09 0.00 -2.23 4.33 1.13 -1.26 -5.04 117.38 111.22 1qtt n GLN 66 Ca -0.11 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.55 1qtt n GLN 66 Cb 0.61 -0.11 -0.03 0.00 0.11 0.00 0.00 30.24 30.82 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1qtt s LEU 67 N -6.04 4.45 1.02 1.08 1.02 -1.26 -5.02 118.68 113.94 1qtt s LEU 67 Ca 0.00 2.51 -0.16 0.00 0.02 0.00 0.00 54.13 56.50 1qtt s LEU 67 Cb 0.00 -3.63 0.21 0.00 0.02 0.00 0.00 46.19 42.78 1qtt s LEU 67 CO 0.00 -0.44 1.19 -2.16 0.02 0.00 0.00 176.35 174.96 1qtt s PRO 68 N -1.22 0.23 0.33 1.29 0.04 -1.26 -4.86 135.00 129.54 1qtt s PRO 68 Ca 0.50 -0.06 0.19 0.00 0.04 0.00 0.00 61.00 61.67 1qtt s PRO 68 Cb -0.37 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.56 1qtt s PRO 68 CO 0.46 -2.75 1.46 1.25 0.04 0.00 0.00 177.00 177.46 1qtt h LEU 69 N -1.89 0.00 -7.20 -3.56 7.12 -1.94 -3.43 115.31 104.41 1qtt h LEU 69 Ca -0.47 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.46 1qtt h LEU 69 Cb 1.29 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.20 1qtt h LEU 69 CO 0.45 0.29 -0.07 -0.32 -0.13 0.00 0.00 178.44 178.66 1qtt s MET 70 N -3.07 0.68 0.22 1.25 1.75 -1.26 -1.72 119.30 117.15 1qtt s MET 70 Ca 0.05 0.60 0.07 0.00 -1.25 0.00 0.00 55.69 55.15 1qtt s MET 70 Cb 0.07 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 38.03 1qtt s MET 70 CO 0.72 -0.11 0.10 -1.58 -0.65 0.00 0.00 175.02 173.49 1qtt s TRP 71 N -0.05 2.97 -0.26 4.11 0.51 -0.79 -3.63 118.94 121.81 1qtt s TRP 71 Ca -0.03 -0.12 -0.03 0.00 -2.12 0.00 0.00 56.10 53.80 1qtt s TRP 71 Cb -0.03 -1.38 0.09 0.00 -0.81 0.00 0.00 33.47 31.34 1qtt s TRP 71 CO 0.02 0.54 0.10 -1.14 -0.51 0.00 0.00 176.95 175.96 1qtt s GLN 72 N -3.45 0.33 -0.24 4.98 2.00 0.51 -2.92 119.66 120.88 1qtt s GLN 72 Ca 0.31 -0.53 -0.34 0.00 -2.00 0.00 0.00 55.36 52.81 1qtt s GLN 72 Cb -0.08 -1.59 -0.10 0.00 0.80 0.00 0.00 33.01 32.03 1qtt s GLN 72 CO 0.22 -0.89 2.08 -0.11 -0.50 0.00 0.00 175.29 176.09 1qtt n LEU 73 N 5.15 2.81 0.00 3.68 7.94 -0.20 0.18 117.00 136.56 1qtt n LEU 73 Ca -0.06 0.57 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 1qtt n LEU 73 Cb 0.44 -1.36 0.07 0.00 0.53 0.00 0.00 43.42 43.11 1qtt n LEU 73 CO 0.08 -0.49 0.38 -1.22 -1.11 0.00 0.00 177.39 175.03 1qtt n TYR 74 N 9.07 -2.55 -1.53 1.96 4.02 0.74 -4.83 117.16 124.04 1qtt n TYR 74 Ca 0.32 -1.81 -0.29 0.00 -0.01 0.00 0.00 57.90 56.11 1qtt n TYR 74 Cb 0.29 -0.54 0.17 0.00 -0.02 0.00 0.00 39.34 39.24 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 -4.51 0.58 0.18 -0.72 0.04 -1.26 -4.22 135.00 125.09 1qtt s PRO 75 Ca 0.56 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1qtt s PRO 75 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 75 CO 0.36 -2.54 0.00 -1.91 0.04 0.00 0.00 177.00 172.96 1qtt n GLU 76 N -3.96 0.00 0.00 4.56 2.13 -1.26 -3.54 120.64 118.57 1qtt n GLU 76 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 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 -4.04 5.31 2.13 -1.26 -5.17 120.64 117.61 1qtt n GLU 77 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1qtt n GLU 77 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 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 1.16 -0.08 5.31 3.00 -1.23 -2.77 118.95 124.34 1qtt s ARG 78 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 55.73 54.46 1qtt s ARG 78 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 34.95 35.28 1qtt s ARG 78 CO 0.00 -0.41 -0.16 0.71 0.00 0.00 0.00 175.30 175.44 1qtt s TYR 79 N -4.02 2.68 -0.19 -0.53 1.51 0.27 -0.18 117.35 116.89 1qtt s TYR 79 Ca 0.22 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1qtt s TYR 79 Cb 0.04 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1qtt s TYR 79 CO 0.03 -0.05 0.03 1.41 -1.11 0.00 0.00 175.55 175.86 1qtt s MET 80 N -0.21 3.80 0.32 -0.62 -2.45 0.47 0.89 119.30 121.51 1qtt s MET 80 Ca -0.00 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1qtt s MET 80 Cb -0.13 -3.15 0.06 0.00 1.25 0.00 0.00 34.83 32.86 1qtt s MET 80 CO 0.03 0.14 0.43 -0.40 1.05 0.00 0.00 175.02 176.28 1qtt n ASP 81 N 3.90 0.66 -0.38 1.11 5.68 -0.49 0.19 116.55 127.22 1qtt n ASP 81 Ca -0.17 -1.54 0.06 0.00 -0.50 0.00 0.00 54.79 52.65 1qtt n ASP 81 Cb 0.52 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 40.24 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 -2.92 1.65 -0.02 -1.12 5.15 -1.24 -4.27 115.26 112.48 1qtt n ASN 82 Ca 0.07 -1.32 0.15 0.00 -0.60 0.00 0.00 54.58 52.88 1qtt n ASN 82 Cb 0.26 0.31 0.81 0.00 -0.53 0.00 0.00 39.78 40.63 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qtt n ASN 83 N 0.13 0.08 -0.30 1.20 2.85 -1.26 -4.86 115.26 113.10 1qtt n ASN 83 Ca 0.06 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 1qtt n ASN 83 Cb 0.29 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qtt n SER 84 N -1.12 -1.21 -3.90 1.20 2.88 -1.26 -5.09 113.62 105.12 1qtt n SER 84 Ca 0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.61 1qtt n SER 84 Cb 0.20 -0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.25 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 -3.05 0.41 -0.20 -1.46 0.52 -1.26 -5.04 118.95 108.87 1qtt s ARG 85 Ca 0.00 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1qtt s ARG 85 Cb 0.00 0.17 -0.00 0.00 0.52 0.00 0.00 34.95 35.64 1qtt s ARG 85 CO 0.00 -0.09 -0.10 -1.17 0.02 0.00 0.00 175.30 173.96 1qtt s LEU 86 N -1.30 2.65 -0.10 2.53 1.98 -1.26 -1.40 118.68 121.78 1qtt s LEU 86 Ca -0.14 -0.47 -0.13 0.00 -2.89 0.00 0.00 54.13 50.50 1qtt s LEU 86 Cb -0.08 -1.65 -0.05 0.00 0.66 0.00 0.00 46.19 45.07 1qtt s LEU 86 CO 0.01 -0.00 0.31 0.26 -1.89 0.00 0.00 176.35 175.04 1qtt s TRP 87 N 1.36 3.58 -0.19 5.38 0.52 0.26 -4.01 118.94 125.83 1qtt s TRP 87 Ca 0.05 0.73 -0.18 0.00 0.02 0.00 0.00 56.10 56.71 1qtt s TRP 87 Cb -0.14 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1qtt s TRP 87 CO -0.06 0.46 0.51 -1.14 0.02 0.00 0.00 176.95 176.74 1qtt s GLN 88 N -0.30 4.21 -0.96 4.98 0.74 0.91 0.94 119.66 130.19 1qtt s GLN 88 Ca 0.19 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.76 1qtt s GLN 88 Cb -0.14 -3.54 -0.13 0.00 1.10 0.00 0.00 33.01 30.30 1qtt s GLN 88 CO 0.07 -0.10 2.15 0.42 -0.55 0.00 0.00 175.29 177.28 1qtt s ILE 89 N 1.48 3.21 0.24 -2.34 -1.09 -1.12 -0.39 121.20 121.19 1qtt s ILE 89 Ca 0.24 -0.26 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 1qtt s ILE 89 Cb -0.15 -3.76 0.26 0.00 -1.58 0.00 0.00 42.46 37.23 1qtt s ILE 89 CO 0.10 -0.41 1.65 1.56 -1.23 0.00 0.00 174.94 176.61 1qtt h GLN 90 N 11.59 0.15 -1.35 2.79 1.08 -0.92 -3.43 115.11 125.01 1qtt h GLN 90 Ca 0.06 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.38 1qtt h GLN 90 Cb 0.99 -0.03 -0.29 0.00 -0.05 0.00 0.00 27.48 28.09 1qtt h GLN 90 CO 1.09 0.10 0.63 -3.38 -0.95 0.00 0.00 178.83 176.32 1qtt s HIS 91 N -6.09 -0.30 -0.15 2.96 -3.43 -1.21 -4.98 115.29 102.09 1qtt s HIS 91 Ca -0.13 0.70 -0.02 0.00 -0.80 0.00 0.00 55.06 54.81 1qtt s HIS 91 Cb 0.22 0.38 0.05 0.00 -1.43 0.00 0.00 32.58 31.79 1qtt s HIS 91 CO 0.75 -0.15 -0.00 -1.58 -2.00 0.00 0.00 174.74 171.77 1qtt s HIS 92 N 0.37 1.17 0.05 0.38 2.46 -1.26 0.28 115.29 118.73 1qtt s HIS 92 Ca 0.02 -0.76 -0.01 0.00 0.47 0.00 0.00 55.06 54.79 1qtt s HIS 92 Cb -0.05 -1.07 0.00 0.00 -0.13 0.00 0.00 32.58 31.34 1qtt s HIS 92 CO -0.11 -0.54 0.08 1.47 -2.47 0.00 0.00 174.74 173.16 1qtt n LEU 93 N 5.01 0.00 -4.08 8.88 -0.00 -1.12 -4.96 117.00 120.74 1qtt n LEU 93 Ca -0.09 -0.35 -0.25 0.00 -0.00 0.00 0.00 56.01 55.32 1qtt n LEU 93 Cb 0.48 0.38 -0.16 0.00 -0.00 0.00 0.00 43.42 44.12 1qtt n LEU 93 CO 0.14 -0.09 -0.48 -0.32 -0.00 0.00 0.00 177.39 176.63 1qtt s MET 94 N -2.07 1.64 -0.01 1.47 -2.45 -1.26 -0.46 119.30 116.16 1qtt s MET 94 Ca 0.03 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1qtt s MET 94 Cb -0.00 -1.40 -0.00 0.00 1.25 0.00 0.00 34.83 34.68 1qtt s MET 94 CO 0.02 0.15 -0.07 0.08 1.05 0.00 0.00 175.02 176.25 1qtt s VAL 95 N 0.28 0.56 -1.51 10.11 1.01 0.56 -4.79 120.40 126.61 1qtt s VAL 95 Ca -0.08 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1qtt s VAL 95 Cb -0.13 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 35.88 1qtt s VAL 95 CO 0.03 0.17 0.70 0.54 0.00 0.00 0.00 175.10 176.54 1qtt n ARG 96 N 3.12 -3.53 -1.79 2.72 5.12 -1.26 0.18 116.66 121.21 1qtt n ARG 96 Ca -0.15 0.43 -0.13 0.00 -1.93 0.00 0.00 57.85 56.07 1qtt n ARG 96 Cb 0.56 -5.17 -0.03 0.00 -1.16 0.00 0.00 32.46 26.66 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtt n GLY 97 N -1.33 0.63 3.04 -0.13 0.00 -1.26 -5.00 105.19 101.13 1qtt n GLY 97 Ca 0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 1.12 -0.30 1.61 1.01 0.48 -5.02 120.40 116.75 1qtt s VAL 98 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1qtt s VAL 98 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1qtt s VAL 98 CO 0.00 0.34 0.87 -1.10 0.00 0.00 0.00 175.10 175.22 1qtt s GLN 99 N 0.47 4.03 -0.41 2.72 -0.21 -1.24 0.21 119.66 125.22 1qtt s GLN 99 Ca -0.10 0.78 -0.07 0.00 0.02 0.00 0.00 55.36 55.99 1qtt s GLN 99 Cb -0.14 -3.72 0.09 0.00 1.00 0.00 0.00 33.01 30.25 1qtt s GLN 99 CO 0.03 -0.71 0.24 -2.00 -2.12 0.00 0.00 175.29 170.73 1qtt s GLU 100 N 3.11 2.41 -0.27 2.91 2.12 0.39 0.19 118.70 129.57 1qtt s GLU 100 Ca 0.36 -1.59 -0.10 0.00 0.36 0.00 0.00 54.97 54.00 1qtt s GLU 100 Cb -0.14 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 1qtt s GLU 100 CO 0.12 -1.00 0.16 -1.17 -0.54 0.00 0.00 175.26 172.83 1qtt s LEU 101 N 1.33 3.91 -0.25 2.70 0.20 0.94 -2.78 118.68 124.73 1qtt s LEU 101 Ca 0.04 -0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.70 1qtt s LEU 101 Cb -0.23 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 1qtt s LEU 101 CO -0.00 -0.03 0.27 -0.76 -0.29 0.00 0.00 176.35 175.54 1qtt s LEU 102 N 1.61 4.08 -0.17 -0.68 1.43 0.14 0.31 118.68 125.40 1qtt s LEU 102 Ca 0.07 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1qtt s LEU 102 Cb -0.15 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1qtt s LEU 102 CO 0.08 -0.06 -0.07 -0.76 0.23 0.00 0.00 176.35 175.77 1qtt s LEU 103 N 1.57 2.92 -0.15 1.79 1.43 -1.10 -0.22 118.68 124.91 1qtt s LEU 103 Ca 0.12 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1qtt s LEU 103 Cb -0.15 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1qtt s LEU 103 CO 0.08 0.10 -0.16 -0.75 0.23 0.00 0.00 176.35 175.85 1qtt s LYS 104 N 0.74 3.18 -0.36 1.70 2.47 0.47 0.18 119.74 128.14 1qtt s LYS 104 Ca -0.03 -0.77 -0.11 0.00 -1.56 0.00 0.00 55.97 53.50 1qtt s LYS 104 Cb -0.15 -2.60 0.01 0.00 -1.46 0.00 0.00 37.83 33.63 1qtt s LYS 104 CO 0.02 0.00 0.20 -1.17 0.16 0.00 0.00 175.35 174.57 1qtt s LEU 105 N 0.83 4.56 0.37 5.43 2.96 0.13 0.31 118.68 133.26 1qtt s LEU 105 Ca -0.05 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1qtt s LEU 105 Cb -0.15 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1qtt s LEU 105 CO -0.01 -0.32 0.62 -1.48 -1.32 0.00 0.00 176.35 173.84 1qtt s LEU 106 N 1.60 3.92 0.01 -0.68 2.34 -1.26 -3.54 118.68 121.08 1qtt s LEU 106 Ca 0.04 0.65 -0.30 0.00 0.06 0.00 0.00 54.13 54.57 1qtt s LEU 106 Cb -0.18 -3.53 -0.05 0.00 -0.56 0.00 0.00 46.19 41.88 1qtt s LEU 106 CO 0.07 -0.35 1.19 -2.16 -1.06 0.00 0.00 176.35 174.04 1qtt s PRO 107 N -4.24 4.41 -0.88 1.48 0.04 -1.26 -4.82 135.00 129.73 1qtt s PRO 107 Ca 0.43 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 1qtt s PRO 107 Cb -0.10 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 1qtt s PRO 107 CO 0.37 -0.32 2.14 -0.51 0.04 0.00 0.00 177.00 178.72 1qtt s ASP 108 N 1.23 4.56 0.03 6.66 1.11 -1.26 -4.86 116.67 124.15 1qtt s ASP 108 Ca 0.57 -0.45 -0.03 0.00 0.18 0.00 0.00 52.55 52.83 1qtt s ASP 108 Cb -0.27 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.14 1qtt s ASP 108 CO 0.26 -3.30 0.03 -0.62 1.18 0.00 0.00 175.17 172.72 1qtt s ASP 109 N 9.12 0.24 0.06 0.27 -1.08 -1.26 -5.17 116.67 118.85 1qtt s ASP 109 Ca 0.79 -0.57 0.02 0.00 -0.52 0.00 0.00 52.55 52.27 1qtt s ASP 109 Cb -0.09 0.17 -0.03 0.00 -1.46 0.00 0.00 42.92 41.51 1qtt s ASP 109 CO 0.04 -0.43 -0.07 0.00 0.52 0.00 0.00 175.17 175.23 1qtt s ARG 110 N -2.30 0.61 -0.36 4.34 1.70 -1.26 -4.96 118.95 116.73 1qtt s ARG 110 Ca -0.08 -0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 53.98 1qtt s ARG 110 Cb -0.03 -0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.17 1qtt s ARG 110 CO -0.04 0.01 0.49 0.45 -1.08 0.00 0.00 175.30 175.14 1qtt n SER 111 N 0.93 -6.40 -4.80 -2.89 2.88 -1.26 -4.93 113.62 97.14 1qtt n SER 111 Ca -0.19 0.20 -0.30 0.00 -1.33 0.00 0.00 58.87 57.25 1qtt n SER 111 Cb 0.57 -2.72 0.09 0.00 -0.75 0.00 0.00 64.21 61.40 1qtt n SER 111 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1qtt s PRO 112 N -2.18 2.09 -0.36 -1.46 0.04 -1.26 -5.03 135.00 126.83 1qtt s PRO 112 Ca 0.26 0.64 0.04 0.00 0.04 0.00 0.00 61.00 61.98 1qtt s PRO 112 Cb -0.04 -1.92 0.31 0.00 0.04 0.00 0.00 34.50 32.90 1qtt s PRO 112 CO 0.70 -1.62 1.29 0.41 0.04 0.00 0.00 177.00 177.82 1qtt n GLY 113 N -2.10 -1.00 3.47 0.56 0.00 -1.26 -5.12 105.19 99.74 1qtt n GLY 113 Ca 0.07 0.66 -0.42 0.00 0.00 0.00 0.00 46.02 46.34 1qtt n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 114 N 0.14 5.13 -0.05 -0.61 -1.09 -1.26 -5.04 121.20 118.43 1qtt s ILE 114 Ca 0.22 -0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1qtt s ILE 114 Cb 0.28 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1qtt s ILE 114 CO -0.15 -0.19 0.08 -2.28 -1.23 0.00 0.00 174.94 171.16 1qtt s HIS 115 N 1.67 0.02 0.40 3.97 2.46 -1.26 -5.13 115.29 117.42 1qtt s HIS 115 Ca 0.05 0.31 -0.27 0.00 0.47 0.00 0.00 55.06 55.62 1qtt s HIS 115 Cb -0.18 -0.43 -0.09 0.00 -0.13 0.00 0.00 32.58 31.75 1qtt s HIS 115 CO 0.09 -0.20 1.36 0.50 -2.47 0.00 0.00 174.74 174.03 1qtt s ARG 116 N 2.12 3.98 0.00 2.88 3.00 -1.26 -5.36 118.95 124.30 1qtt s ARG 116 Ca 0.04 2.29 0.00 0.00 -1.00 0.00 0.00 55.73 57.06 1qtt s ARG 116 Cb -0.12 -2.81 0.00 0.00 0.00 0.00 0.00 34.95 32.02 1qtt s ARG 116 CO -0.03 -0.54 0.00 -3.47 0.00 0.00 0.00 175.30 171.26