#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 -2.68 -4.28 1.61 7.64 -1.26 -4.97 113.62 109.69 1qtt n SER 2 Ca 0.00 -0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.38 1qtt n SER 2 Cb 0.00 -0.75 -0.15 0.00 -1.01 0.00 0.00 64.21 62.30 1qtt n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qtt s MET 3 N -2.97 3.26 -0.30 1.43 0.00 -1.26 -5.07 119.30 114.39 1qtt s MET 3 Ca 0.41 -0.72 -0.03 0.00 0.00 0.00 0.00 55.69 55.36 1qtt s MET 3 Cb -0.03 -2.71 0.18 0.00 0.00 0.00 0.00 34.83 32.27 1qtt s MET 3 CO 0.52 -0.02 0.61 0.00 0.00 0.00 0.00 175.02 176.13 1qtt s ALA 4 N 0.94 -2.23 0.00 3.16 0.00 -1.26 -5.07 121.76 117.30 1qtt s ALA 4 Ca -0.02 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1qtt s ALA 4 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1qtt s ALA 4 CO -0.01 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.89 1qtt n GLY 5 N 5.43 -0.03 3.61 0.00 0.00 -1.26 -5.16 105.19 107.79 1qtt n GLY 5 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N -0.91 0.26 0.10 1.61 2.12 -1.26 -5.17 118.70 115.45 1qtt s GLU 6 Ca 0.00 0.02 0.10 0.00 0.36 0.00 0.00 54.97 55.45 1qtt s GLU 6 Cb 0.00 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1qtt s GLU 6 CO 0.00 -0.09 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.87 1qtt s ASP 7 N -1.30 3.06 1.18 -1.70 1.01 -1.26 -4.84 116.67 112.82 1qtt s ASP 7 Ca 0.06 -0.69 -0.16 0.00 0.71 0.00 0.00 52.55 52.46 1qtt s ASP 7 Cb -0.01 -0.21 0.22 0.00 1.01 0.00 0.00 42.92 43.93 1qtt s ASP 7 CO -0.05 0.17 0.52 0.52 0.21 0.00 0.00 175.17 176.54 1qtt n VAL 8 N 1.17 0.00 -0.10 -1.27 0.31 -1.26 -5.00 118.33 112.18 1qtt n VAL 8 Ca -0.18 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 1qtt n VAL 8 Cb 0.53 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 1qtt n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtt n GLY 9 N 1.64 -0.56 3.63 2.92 0.00 -1.26 -5.06 105.19 106.50 1qtt n GLY 9 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1qtt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtt s ALA 10 N -2.80 -1.79 0.98 4.61 0.00 -1.26 -5.18 121.76 116.31 1qtt s ALA 10 Ca -0.30 2.00 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 1qtt s ALA 10 Cb 0.06 -1.17 0.18 0.00 0.00 0.00 0.00 23.12 22.19 1qtt s ALA 10 CO 0.43 -0.33 1.17 -1.25 0.00 0.00 0.00 175.76 175.78 1qtt s PRO 11 N 0.33 0.56 -0.86 0.00 0.04 -1.26 -4.93 135.00 128.89 1qtt s PRO 11 Ca 0.00 0.07 -0.25 0.00 0.04 0.00 0.00 61.00 60.86 1qtt s PRO 11 Cb -0.05 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1qtt s PRO 11 CO 0.01 -2.55 1.65 -1.25 0.04 0.00 0.00 177.00 174.90 1qtt s PRO 12 N -5.43 3.01 0.58 0.56 0.04 -1.26 -4.80 135.00 127.70 1qtt s PRO 12 Ca 0.67 -0.38 0.36 0.00 0.04 0.00 0.00 61.00 61.70 1qtt s PRO 12 Cb -0.11 -4.87 1.38 0.00 0.04 0.00 0.00 34.50 30.94 1qtt s PRO 12 CO 0.54 -2.66 1.57 0.22 0.04 0.00 0.00 177.00 176.71 1qtt h ASP 13 N 11.26 0.00 -4.54 6.66 3.58 -1.95 -3.39 116.42 128.04 1qtt h ASP 13 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1qtt h ASP 13 Cb 1.04 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.88 1qtt h ASP 13 CO 1.29 0.00 -0.18 -1.38 -2.88 0.00 0.00 179.24 176.09 1qtt s HIS 14 N -4.69 -0.37 0.05 0.28 -3.43 -1.26 -0.45 115.29 105.42 1qtt s HIS 14 Ca -0.04 0.75 0.06 0.00 -0.80 0.00 0.00 55.06 55.03 1qtt s HIS 14 Cb 0.20 0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 31.49 1qtt s HIS 14 CO 0.68 -0.35 -0.18 -0.51 -2.00 0.00 0.00 174.74 172.38 1qtt s LEU 15 N -0.67 2.20 -0.20 5.38 1.43 -1.03 -3.77 118.68 122.01 1qtt s LEU 15 Ca -0.08 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1qtt s LEU 15 Cb -0.04 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.46 1qtt s LEU 15 CO 0.04 0.08 -0.01 0.26 0.23 0.00 0.00 176.35 176.94 1qtt s TRP 16 N -0.91 1.61 -0.07 0.29 0.51 0.59 -1.87 118.94 119.09 1qtt s TRP 16 Ca 0.04 -1.19 -0.30 0.00 -2.12 0.00 0.00 56.10 52.53 1qtt s TRP 16 Cb -0.09 -1.26 -0.04 0.00 -0.81 0.00 0.00 33.47 31.27 1qtt s TRP 16 CO 0.02 -0.66 1.44 0.54 -0.51 0.00 0.00 176.95 177.78 1qtt s VAL 17 N 1.66 3.85 -0.05 4.03 0.11 -1.08 0.18 120.40 129.11 1qtt s VAL 17 Ca -0.02 1.11 0.03 0.00 -2.93 0.00 0.00 61.98 60.16 1qtt s VAL 17 Cb -0.17 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 30.92 1qtt s VAL 17 CO -0.07 -0.06 -0.00 1.57 -3.33 0.00 0.00 175.10 173.20 1qtt n HIS 18 N 6.36 0.00 -4.19 1.54 -0.00 -1.04 -4.94 115.22 112.95 1qtt n HIS 18 Ca 0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 1qtt n HIS 18 Cb 0.44 -0.21 -0.10 0.00 -0.12 0.00 0.00 29.99 30.00 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 -2.10 0.88 -0.32 1.57 -1.52 -1.23 -3.88 119.66 113.06 1qtt s GLN 19 Ca -0.03 -1.32 -0.33 0.00 -1.95 0.00 0.00 55.36 51.73 1qtt s GLN 19 Cb 0.01 -0.37 -0.10 0.00 -0.22 0.00 0.00 33.01 32.34 1qtt s GLN 19 CO 0.16 0.02 2.21 -1.91 -0.25 0.00 0.00 175.29 175.52 1qtt n GLU 20 N 0.06 1.31 -1.31 2.91 0.00 -1.26 0.12 120.64 122.47 1qtt n GLU 20 Ca -0.13 0.35 -0.04 0.00 0.00 0.00 0.00 57.16 57.35 1qtt n GLU 20 Cb 0.60 -2.68 -0.01 0.00 0.00 0.00 0.00 31.44 29.35 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 6.34 0.57 3.17 8.31 0.00 -1.26 -4.95 105.19 117.37 1qtt n GLY 21 Ca 0.38 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.15 1.29 0.03 -0.61 1.09 0.32 0.15 121.20 121.33 1qtt s ILE 22 Ca 0.00 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.62 1qtt s ILE 22 Cb 0.00 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.25 1qtt s ILE 22 CO 0.00 0.19 -0.01 -0.31 -0.10 0.00 0.00 174.94 174.72 1qtt s TYR 23 N -0.64 0.32 -0.13 3.97 2.02 0.99 -2.49 117.35 121.39 1qtt s TYR 23 Ca 0.05 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 1qtt s TYR 23 Cb -0.07 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 1qtt s TYR 23 CO 0.01 -0.27 -0.03 0.50 -1.57 0.00 0.00 175.55 174.18 1qtt s ARG 24 N -2.34 3.40 0.76 -0.62 3.52 0.48 0.27 118.95 124.40 1qtt s ARG 24 Ca -0.08 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 54.97 1qtt s ARG 24 Cb -0.03 -2.85 0.16 0.00 -1.56 0.00 0.00 34.95 30.66 1qtt s ARG 24 CO -0.04 0.41 1.04 -3.47 -0.81 0.00 0.00 175.30 172.43 1qtt n ASP 25 N 3.02 0.78 -1.25 -2.12 -0.08 0.10 -0.30 116.55 116.70 1qtt n ASP 25 Ca -0.18 -1.80 0.04 0.00 -1.51 0.00 0.00 54.79 51.34 1qtt n ASP 25 Cb 0.53 -0.73 0.22 0.00 2.34 0.00 0.00 41.12 43.48 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1qtt n GLU 26 N -3.04 3.11 -2.74 -0.67 0.28 -1.25 -3.91 120.64 112.42 1qtt n GLU 26 Ca 0.15 -1.72 -0.04 0.00 -0.16 0.00 0.00 57.16 55.40 1qtt n GLU 26 Cb 0.54 -1.91 0.07 0.00 1.43 0.00 0.00 31.44 31.57 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1qtt n TYR 27 N 0.35 0.01 -4.07 -1.84 4.01 -1.26 -4.97 117.16 109.38 1qtt n TYR 27 Ca 0.15 -2.19 -0.31 0.00 -0.16 0.00 0.00 57.90 55.39 1qtt n TYR 27 Cb 0.76 0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 40.14 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 -0.66 -3.61 -4.04 -0.72 10.64 -1.25 -4.93 117.38 112.81 1qtt n GLN 28 Ca 0.01 0.42 -0.32 0.00 -1.83 0.00 0.00 57.00 55.29 1qtt n GLN 28 Cb 0.83 -4.96 -0.15 0.00 -0.86 0.00 0.00 30.24 25.10 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1qtt s ARG 29 N -6.74 2.05 0.37 2.61 0.52 -1.26 -4.95 118.95 111.55 1qtt s ARG 29 Ca 0.45 -1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 54.09 1qtt s ARG 29 Cb -0.24 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 1qtt s ARG 29 CO 0.90 -0.61 1.10 0.95 0.02 0.00 0.00 175.30 177.66 1qtt s THR 30 N 1.15 3.48 0.22 0.02 -4.23 -1.26 0.02 115.64 115.04 1qtt s THR 30 Ca -0.07 1.26 0.10 0.00 -1.18 0.00 0.00 61.69 61.80 1qtt s THR 30 Cb -0.20 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 1qtt s THR 30 CO -0.06 0.12 -0.19 0.26 -0.54 0.00 0.00 174.62 174.22 1qtt s TRP 31 N -1.45 2.07 -0.37 3.99 0.52 0.75 -2.86 118.94 121.58 1qtt s TRP 31 Ca 0.54 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.28 1qtt s TRP 31 Cb -0.27 -0.96 0.11 0.00 -1.15 0.00 0.00 33.47 31.20 1qtt s TRP 31 CO 0.34 0.52 0.09 0.08 0.02 0.00 0.00 176.95 178.00 1qtt s VAL 32 N -2.37 2.37 -0.42 4.03 1.01 0.72 -0.01 120.40 125.73 1qtt s VAL 32 Ca 0.24 -2.50 -0.24 0.00 0.00 0.00 0.00 61.98 59.48 1qtt s VAL 32 Cb -0.05 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1qtt s VAL 32 CO 0.11 -0.64 0.84 0.00 0.00 0.00 0.00 175.10 175.41 1qtt s ALA 33 N 0.71 3.32 -0.48 5.51 0.00 0.40 0.11 121.76 131.34 1qtt s ALA 33 Ca 0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1qtt s ALA 33 Cb -0.20 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.52 1qtt s ALA 33 CO -0.07 -1.82 0.38 0.08 0.00 0.00 0.00 175.76 174.33 1qtt s VAL 34 N 3.40 4.72 0.03 0.00 1.01 0.42 -4.06 120.40 125.92 1qtt s VAL 34 Ca 0.33 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1qtt s VAL 34 Cb -0.12 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1qtt s VAL 34 CO 0.22 -0.71 1.66 0.54 0.00 0.00 0.00 175.10 176.82 1qtt s VAL 35 N 1.50 3.22 -0.28 2.92 0.11 -1.26 -0.82 120.40 125.78 1qtt s VAL 35 Ca 0.04 0.54 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 1qtt s VAL 35 Cb -0.26 -3.35 0.17 0.00 -1.53 0.00 0.00 36.38 31.41 1qtt s VAL 35 CO 0.02 -0.02 0.47 -0.70 -3.33 0.00 0.00 175.10 171.55 1qtt s GLU 36 N 3.13 0.45 0.89 1.54 2.12 0.15 -4.96 118.70 122.02 1qtt s GLU 36 Ca 0.74 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 56.45 1qtt s GLU 36 Cb -0.38 -0.09 0.13 0.00 0.26 0.00 0.00 34.13 34.05 1qtt s GLU 36 CO 0.32 -0.85 1.17 -1.21 -0.54 0.00 0.00 175.26 174.14 1qtt s GLU 37 N 2.66 1.14 -0.29 4.30 2.02 -1.26 -3.70 118.70 123.57 1qtt s GLU 37 Ca 0.13 1.63 -0.16 0.00 0.02 0.00 0.00 54.97 56.58 1qtt s GLU 37 Cb -0.13 -1.73 0.12 0.00 0.10 0.00 0.00 34.13 32.49 1qtt s GLU 37 CO -0.24 -2.56 0.88 -1.83 0.02 0.00 0.00 175.26 171.53 1qtt s GLU 38 N -4.50 0.49 -1.45 1.61 -1.05 -1.18 -4.90 118.70 107.73 1qtt s GLU 38 Ca 0.69 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 56.36 1qtt s GLU 38 Cb -0.25 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 1qtt s GLU 38 CO 0.56 -0.10 0.00 2.41 0.95 0.00 0.00 175.26 179.08 1qtt n THR 39 N 3.93 -0.24 -2.83 1.83 -1.04 -1.26 -2.13 114.28 112.53 1qtt n THR 39 Ca -0.19 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1qtt n THR 39 Cb 0.58 -1.79 0.03 0.00 -1.82 0.00 0.00 70.33 67.33 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 -0.51 -3.33 -1.55 8.00 2.88 -1.26 -5.04 113.62 112.80 1qtt n SER 40 Ca -0.16 -0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.16 1qtt n SER 40 Cb 0.53 -2.04 -0.01 0.00 -0.75 0.00 0.00 64.21 61.94 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qtt n PHE 41 N -3.22 -0.08 -4.51 0.66 3.72 -0.90 -5.07 117.46 108.06 1qtt n PHE 41 Ca -0.01 -0.47 -0.33 0.00 -0.05 0.00 0.00 57.45 56.59 1qtt n PHE 41 Cb 0.52 0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.95 1qtt n PHE 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qtt s LEU 42 N 0.00 2.55 -0.00 4.37 2.01 -1.01 -3.09 118.68 123.51 1qtt s LEU 42 Ca 0.06 -0.44 0.01 0.00 0.01 0.00 0.00 54.13 53.76 1qtt s LEU 42 Cb 0.00 -1.59 -0.00 0.00 0.01 0.00 0.00 46.19 44.62 1qtt s LEU 42 CO 0.04 0.09 -0.02 -0.60 1.01 0.00 0.00 176.35 176.87 1qtt s ARG 43 N 0.80 0.15 -0.24 1.70 3.52 -1.24 0.33 118.95 123.97 1qtt s ARG 43 Ca -0.05 -0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1qtt s ARG 43 Cb -0.15 -0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.15 1qtt s ARG 43 CO 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 175.30 174.53 1qtt s ALA 44 N -0.01 1.64 -0.53 6.12 0.00 0.55 0.32 121.76 129.86 1qtt s ALA 44 Ca 0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1qtt s ALA 44 Cb -0.01 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1qtt s ALA 44 CO -0.00 -1.29 1.28 0.50 0.00 0.00 0.00 175.76 176.26 1qtt s ARG 45 N 1.55 3.50 -0.42 0.00 3.52 -0.00 -0.92 118.95 126.18 1qtt s ARG 45 Ca -0.01 0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 55.86 1qtt s ARG 45 Cb -0.18 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.20 1qtt s ARG 45 CO -0.10 -1.68 0.64 0.08 -0.81 0.00 0.00 175.30 173.43 1qtt s VAL 46 N 5.26 4.84 -0.18 7.11 1.01 0.95 0.16 120.40 139.55 1qtt s VAL 46 Ca 0.50 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1qtt s VAL 46 Cb -0.09 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1qtt s VAL 46 CO 0.28 -0.54 0.01 -1.58 0.00 0.00 0.00 175.10 173.27 1qtt s GLN 47 N 2.79 3.73 -0.23 2.72 0.74 0.31 0.32 119.66 130.03 1qtt s GLN 47 Ca 0.23 -0.47 -0.23 0.00 0.05 0.00 0.00 55.36 54.93 1qtt s GLN 47 Cb -0.14 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 1qtt s GLN 47 CO 0.18 0.15 0.77 -1.14 -0.55 0.00 0.00 175.29 174.69 1qtt s GLN 48 N 0.66 4.19 0.21 1.67 -0.44 0.31 0.26 119.66 126.51 1qtt s GLN 48 Ca 0.00 0.84 -0.16 0.00 -2.50 0.00 0.00 55.36 53.54 1qtt s GLN 48 Cb -0.14 -3.63 0.02 0.00 -1.64 0.00 0.00 33.01 27.62 1qtt s GLN 48 CO 0.02 -0.44 0.51 0.96 0.50 0.00 0.00 175.29 176.84 1qtt s ILE 49 N 2.58 0.02 -0.96 -2.34 -0.00 -1.13 -3.81 121.20 115.57 1qtt s ILE 49 Ca 0.33 -0.96 -0.15 0.00 -0.00 0.00 0.00 60.65 59.87 1qtt s ILE 49 Cb -0.16 -1.75 0.20 0.00 -0.00 0.00 0.00 42.46 40.75 1qtt s ILE 49 CO 0.09 -0.10 1.02 0.00 -0.00 0.00 0.00 174.94 175.94 1qtt s GLN 50 N -3.91 3.77 -0.02 0.37 0.00 -1.26 -4.24 119.66 114.36 1qtt s GLN 50 Ca 0.12 -2.39 0.07 0.00 -0.00 0.00 0.00 55.36 53.16 1qtt s GLN 50 Cb -0.01 -4.69 -0.02 0.00 0.00 0.00 0.00 33.01 28.30 1qtt s GLN 50 CO 0.00 -1.49 -0.22 0.14 0.00 0.00 0.00 175.29 173.72 1qtt s VAL 51 N 0.90 1.75 -0.09 3.63 -7.23 -1.26 -5.10 120.40 112.99 1qtt s VAL 51 Ca 0.28 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 1qtt s VAL 51 Cb -0.07 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1qtt s VAL 51 CO -0.08 0.50 1.24 -2.16 -0.31 0.00 0.00 175.10 174.29 1qtt s PRO 52 N -0.44 4.30 -0.30 4.82 0.04 -1.26 -4.89 135.00 137.28 1qtt s PRO 52 Ca 0.06 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1qtt s PRO 52 Cb -0.09 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 1qtt s PRO 52 CO -0.00 -0.55 1.88 -0.51 0.04 0.00 0.00 177.00 177.85 1qtt s LEU 53 N 2.71 3.52 0.00 -3.56 1.43 -1.26 -4.94 118.68 116.58 1qtt s LEU 53 Ca 0.56 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1qtt s LEU 53 Cb -0.24 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1qtt s LEU 53 CO 0.20 -1.73 0.00 0.61 0.23 0.00 0.00 176.35 175.66 1qtt n GLY 54 N 5.45 0.18 0.67 -3.19 0.00 -1.26 -4.98 105.19 102.06 1qtt n GLY 54 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.44 -2.73 1.61 2.03 -1.26 -5.02 116.55 108.74 1qtt n ASP 55 Ca 0.00 -0.18 -0.09 0.00 0.52 0.00 0.00 54.79 55.04 1qtt n ASP 55 Cb 0.00 -0.21 0.09 0.00 -0.72 0.00 0.00 41.12 40.28 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 -3.56 -0.83 -3.00 -1.67 0.00 -1.26 -4.63 120.51 105.57 1qtt n ALA 56 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1qtt n ALA 56 Cb 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.38 0.00 -3.01 0.00 0.00 -1.25 -5.03 120.51 111.59 1qtt n ALA 57 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1qtt n ALA 57 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 1.43 0.07 0.00 1.74 -1.26 -4.77 116.66 113.87 1qtt n ARG 58 Ca 0.00 -3.61 -0.10 0.00 -0.77 0.00 0.00 57.85 53.38 1qtt n ARG 58 Cb 0.00 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 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 2.98 0.30 -0.08 5.56 0.13 -1.97 -1.43 132.00 137.49 1qtt h PRO 59 Ca 0.07 -0.29 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 1qtt h PRO 59 Cb 0.95 0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1qtt h PRO 59 CO 0.56 0.97 -0.57 1.03 -0.23 0.00 0.00 178.00 179.76 1qtt h SER 60 N 0.18 0.64 0.33 1.44 0.87 -1.93 0.50 113.55 115.59 1qtt h SER 60 Ca -0.05 -0.67 -0.07 0.00 -1.23 0.00 0.00 61.79 59.77 1qtt h SER 60 Cb 1.43 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1qtt h SER 60 CO 0.13 1.21 -0.34 0.45 -0.53 0.00 0.00 176.83 177.75 1qtt h HIS 61 N 0.12 0.02 0.06 2.24 3.86 -1.90 1.73 115.15 121.28 1qtt h HIS 61 Ca -0.05 -0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.89 1qtt h HIS 61 Cb 1.23 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1qtt h HIS 61 CO 0.12 0.36 -1.38 1.25 0.86 0.00 0.00 177.93 179.14 1qtt h LEU 62 N 0.01 0.20 0.00 2.43 5.85 -1.19 -2.58 115.31 120.03 1qtt h LEU 62 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1qtt h LEU 62 Cb 0.61 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1qtt h LEU 62 CO 0.05 1.22 -0.01 0.25 -0.34 0.00 0.00 178.44 179.60 1qtt h LEU 63 N 0.03 0.00 0.23 2.25 7.12 0.47 -3.43 115.31 121.99 1qtt h LEU 63 Ca -0.17 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 1qtt h LEU 63 Cb 1.94 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.07 1qtt h LEU 63 CO 0.14 0.03 -0.11 0.74 -0.13 0.00 0.00 178.44 179.11 1qtt h THR 64 N -0.05 0.10 -4.80 1.05 2.02 0.23 -3.49 112.91 107.96 1qtt h THR 64 Ca 0.00 -0.82 -0.18 0.00 0.77 0.00 0.00 66.41 66.18 1qtt h THR 64 Cb 0.01 0.17 0.15 0.00 -1.74 0.00 0.00 68.15 66.73 1qtt h THR 64 CO 0.00 0.03 -0.63 -1.54 0.37 0.00 0.00 175.52 173.75 1qtt n SER 65 N -4.98 -5.43 0.04 4.18 3.41 0.45 -4.95 113.62 106.33 1qtt n SER 65 Ca -0.04 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1qtt n SER 65 Cb 0.14 -3.97 0.00 0.00 -0.26 0.00 0.00 64.21 60.12 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 -2.76 0.00 -2.17 4.33 6.02 -1.26 -5.04 117.38 116.49 1qtt n GLN 66 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 1qtt n GLN 66 Cb 0.59 -0.01 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qtt s LEU 67 N -5.51 4.37 1.03 1.08 1.02 -1.26 -5.02 118.68 114.39 1qtt s LEU 67 Ca 0.00 2.58 -0.16 0.00 0.02 0.00 0.00 54.13 56.57 1qtt s LEU 67 Cb 0.00 -3.75 0.21 0.00 0.02 0.00 0.00 46.19 42.67 1qtt s LEU 67 CO 0.00 -0.57 1.19 -2.16 0.02 0.00 0.00 176.35 174.84 1qtt s PRO 68 N -1.91 0.16 0.14 1.29 0.04 -1.26 -4.89 135.00 128.57 1qtt s PRO 68 Ca 0.51 -0.08 0.26 0.00 0.04 0.00 0.00 61.00 61.73 1qtt s PRO 68 Cb -0.37 -1.76 0.64 0.00 0.04 0.00 0.00 34.50 33.05 1qtt s PRO 68 CO 0.49 -2.79 1.58 -0.11 0.04 0.00 0.00 177.00 176.21 1qtt n LEU 69 N -4.10 0.68 -3.64 -3.56 -0.00 -1.26 -4.71 117.00 100.41 1qtt n LEU 69 Ca 0.12 0.40 -0.10 0.00 -0.00 0.00 0.00 56.01 56.43 1qtt n LEU 69 Cb 0.59 -0.27 -0.07 0.00 -0.00 0.00 0.00 43.42 43.67 1qtt n LEU 69 CO 0.49 -0.10 0.67 -0.32 -0.00 0.00 0.00 177.39 178.13 1qtt s MET 70 N -3.11 0.56 0.15 1.96 1.75 -1.26 -2.63 119.30 116.72 1qtt s MET 70 Ca 0.09 0.69 0.05 0.00 -1.25 0.00 0.00 55.69 55.27 1qtt s MET 70 Cb 0.14 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 38.03 1qtt s MET 70 CO 0.65 -0.07 0.11 -1.58 -0.65 0.00 0.00 175.02 173.48 1qtt s TRP 71 N 0.35 3.12 -0.34 4.11 0.51 -0.78 -3.64 118.94 122.26 1qtt s TRP 71 Ca 0.02 -0.02 -0.01 0.00 -2.12 0.00 0.00 56.10 53.97 1qtt s TRP 71 Cb -0.05 -1.51 0.12 0.00 -0.81 0.00 0.00 33.47 31.22 1qtt s TRP 71 CO -0.06 0.52 0.17 -1.14 -0.51 0.00 0.00 176.95 175.93 1qtt s GLN 72 N -2.97 0.64 -0.14 4.98 2.00 0.82 -2.47 119.66 122.52 1qtt s GLN 72 Ca 0.30 -1.20 -0.41 0.00 -2.00 0.00 0.00 55.36 52.05 1qtt s GLN 72 Cb -0.10 -1.64 -0.19 0.00 0.80 0.00 0.00 33.01 31.88 1qtt s GLN 72 CO 0.23 -1.10 1.30 -0.11 -0.50 0.00 0.00 175.29 175.11 1qtt n LEU 73 N 4.45 0.73 0.00 3.68 7.94 0.41 -0.53 117.00 133.67 1qtt n LEU 73 Ca 0.03 1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 55.83 1qtt n LEU 73 Cb 0.39 -0.96 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 1qtt n LEU 73 CO 0.13 -1.39 -0.18 -1.22 -1.11 0.00 0.00 177.39 173.61 1qtt n TYR 74 N 2.60 0.64 -1.54 1.96 4.02 0.34 -4.77 117.16 120.41 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 0.06 -0.17 0.14 0.00 -0.02 0.00 0.00 39.34 39.35 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 -3.50 1.00 -0.19 -0.72 0.04 -1.26 -3.33 135.00 127.04 1qtt s PRO 75 Ca 0.08 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1qtt s PRO 75 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qtt s PRO 75 CO 0.05 -2.28 0.00 0.39 0.04 0.00 0.00 177.00 175.20 1qtt n GLU 76 N -3.81 -0.66 -3.10 4.56 -0.58 -1.26 -3.02 120.64 112.76 1qtt n GLU 76 Ca 0.07 0.32 -0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1qtt n GLU 76 Cb 0.59 -3.92 0.06 0.00 -0.57 0.00 0.00 31.44 27.61 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1qtt n GLU 77 N -1.88 -5.09 -4.15 3.49 2.13 -1.25 -4.92 120.64 108.97 1qtt n GLU 77 Ca -0.02 0.62 -0.10 0.00 0.66 0.00 0.00 57.16 58.33 1qtt n GLU 77 Cb 0.19 -4.98 -0.10 0.00 0.27 0.00 0.00 31.44 26.82 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 -5.20 0.82 -0.17 5.31 0.52 -1.17 -2.32 118.95 116.74 1qtt s ARG 78 Ca 0.09 -1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 1qtt s ARG 78 Cb -0.04 -0.00 -0.01 0.00 0.52 0.00 0.00 34.95 35.42 1qtt s ARG 78 CO 0.54 -0.11 -0.11 0.71 0.02 0.00 0.00 175.30 176.35 1qtt s TYR 79 N -3.80 2.85 -0.26 -0.53 1.51 0.36 0.13 117.35 117.60 1qtt s TYR 79 Ca 0.14 -0.88 -0.13 0.00 -1.01 0.00 0.00 57.07 55.20 1qtt s TYR 79 Cb 0.07 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1qtt s TYR 79 CO -0.04 -0.41 0.27 1.41 -1.11 0.00 0.00 175.55 175.67 1qtt s MET 80 N 0.86 4.01 0.73 -0.62 -2.45 0.31 0.11 119.30 122.25 1qtt s MET 80 Ca -0.03 -0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 54.26 1qtt s MET 80 Cb -0.15 -3.63 0.13 0.00 1.25 0.00 0.00 34.83 32.43 1qtt s MET 80 CO 0.00 -0.17 1.00 0.16 1.05 0.00 0.00 175.02 177.06 1qtt s ASP 81 N 1.57 4.30 0.00 1.11 3.84 -0.67 -0.13 116.67 126.69 1qtt s ASP 81 Ca 0.11 -0.44 0.23 0.00 -0.00 0.00 0.00 52.55 52.45 1qtt s ASP 81 Cb -0.15 0.10 0.32 0.00 -1.38 0.00 0.00 42.92 41.81 1qtt s ASP 81 CO 0.09 -1.90 1.33 0.59 -0.00 0.00 0.00 175.17 175.28 1qtt n ASN 82 N -2.84 3.25 -0.01 2.11 3.02 -1.24 -4.05 115.26 115.50 1qtt n ASN 82 Ca 0.16 -1.98 0.15 0.00 -0.03 0.00 0.00 54.58 52.88 1qtt n ASN 82 Cb 0.61 -0.15 0.83 0.00 -0.61 0.00 0.00 39.78 40.46 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1qtt n ASN 83 N 1.41 0.02 -0.27 6.41 5.15 -1.26 -4.86 115.26 121.86 1qtt n ASN 83 Ca 0.17 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1qtt n ASN 83 Cb 0.59 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qtt n SER 84 N -1.15 -1.18 -3.84 1.20 2.88 -1.26 -5.08 113.62 105.18 1qtt n SER 84 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1qtt n SER 84 Cb 0.19 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 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 -3.17 0.94 -0.18 -1.46 0.52 -1.26 -4.99 118.95 109.35 1qtt s ARG 85 Ca 0.00 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1qtt s ARG 85 Cb 0.00 0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.87 1qtt s ARG 85 CO 0.00 -0.32 -0.15 -1.17 0.02 0.00 0.00 175.30 173.68 1qtt s LEU 86 N -2.87 2.12 0.04 2.53 0.20 -1.26 -1.68 118.68 117.76 1qtt s LEU 86 Ca 0.07 -0.71 -0.18 0.00 0.69 0.00 0.00 54.13 54.00 1qtt s LEU 86 Cb 0.04 -1.33 -0.06 0.00 -0.43 0.00 0.00 46.19 44.41 1qtt s LEU 86 CO -0.09 -0.07 0.52 0.26 -0.29 0.00 0.00 176.35 176.69 1qtt s TRP 87 N 1.36 3.76 -0.25 5.38 0.52 0.31 -4.23 118.94 125.80 1qtt s TRP 87 Ca 0.02 1.17 -0.13 0.00 0.02 0.00 0.00 56.10 57.19 1qtt s TRP 87 Cb -0.14 -2.46 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1qtt s TRP 87 CO -0.10 0.56 0.28 -1.14 0.02 0.00 0.00 176.95 176.56 1qtt s GLN 88 N -0.91 4.06 -0.81 4.98 0.74 0.86 0.13 119.66 128.72 1qtt s GLN 88 Ca 0.28 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.35 1qtt s GLN 88 Cb -0.18 -3.59 -0.14 0.00 1.10 0.00 0.00 33.01 30.20 1qtt s GLN 88 CO 0.17 -0.10 2.38 0.42 -0.55 0.00 0.00 175.29 177.61 1qtt s ILE 89 N 1.51 3.03 0.24 -2.34 -1.09 -0.98 -0.42 121.20 121.16 1qtt s ILE 89 Ca 0.12 -0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 1qtt s ILE 89 Cb -0.15 -3.10 0.24 0.00 -1.58 0.00 0.00 42.46 37.87 1qtt s ILE 89 CO 0.08 -0.07 1.68 1.56 -1.23 0.00 0.00 174.94 176.96 1qtt h GLN 90 N 12.57 0.24 -1.36 2.79 1.08 0.10 -3.44 115.11 127.09 1qtt h GLN 90 Ca 0.01 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1qtt h GLN 90 Cb 1.00 -0.05 -0.29 0.00 -0.05 0.00 0.00 27.48 28.08 1qtt h GLN 90 CO 1.02 0.16 0.63 -3.38 -0.95 0.00 0.00 178.83 176.31 1qtt s HIS 91 N -6.05 -0.30 -0.12 2.96 -3.43 -1.18 -4.97 115.29 102.20 1qtt s HIS 91 Ca -0.13 0.71 -0.02 0.00 -0.80 0.00 0.00 55.06 54.83 1qtt s HIS 91 Cb 0.21 0.39 0.04 0.00 -1.43 0.00 0.00 32.58 31.80 1qtt s HIS 91 CO 0.76 -0.15 0.02 -1.58 -2.00 0.00 0.00 174.74 171.79 1qtt s HIS 92 N 0.27 0.78 0.06 0.38 2.46 -1.26 0.84 115.29 118.82 1qtt s HIS 92 Ca 0.03 -0.43 -0.02 0.00 0.47 0.00 0.00 55.06 55.12 1qtt s HIS 92 Cb -0.05 -0.88 0.01 0.00 -0.13 0.00 0.00 32.58 31.53 1qtt s HIS 92 CO -0.11 -0.44 0.12 1.47 -2.47 0.00 0.00 174.74 173.31 1qtt n LEU 93 N 5.12 0.00 -4.20 8.88 -0.00 -1.13 -4.99 117.00 120.67 1qtt n LEU 93 Ca -0.08 -0.45 -0.33 0.00 -0.00 0.00 0.00 56.01 55.16 1qtt n LEU 93 Cb 0.49 0.59 -0.16 0.00 -0.00 0.00 0.00 43.42 44.34 1qtt n LEU 93 CO 0.11 -0.14 -0.53 -0.32 -0.00 0.00 0.00 177.39 176.52 1qtt s MET 94 N -2.05 3.08 -0.04 1.47 -2.45 -1.26 -0.66 119.30 117.39 1qtt s MET 94 Ca 0.03 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 1qtt s MET 94 Cb -0.01 -2.48 -0.00 0.00 1.25 0.00 0.00 34.83 33.59 1qtt s MET 94 CO 0.02 0.01 -0.14 0.08 1.05 0.00 0.00 175.02 176.05 1qtt s VAL 95 N 0.77 1.21 -1.55 10.11 1.01 0.54 -4.74 120.40 127.74 1qtt s VAL 95 Ca -0.08 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1qtt s VAL 95 Cb -0.16 -1.06 0.11 0.00 0.00 0.00 0.00 36.38 35.28 1qtt s VAL 95 CO -0.00 0.36 0.79 0.54 0.00 0.00 0.00 175.10 176.79 1qtt n ARG 96 N 3.23 -4.05 -1.85 2.72 5.12 -1.26 0.13 116.66 120.70 1qtt n ARG 96 Ca -0.18 0.48 -0.14 0.00 -1.93 0.00 0.00 57.85 56.07 1qtt n ARG 96 Cb 0.53 -5.27 -0.03 0.00 -1.16 0.00 0.00 32.46 26.54 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 -1.44 0.58 2.96 -0.13 0.00 -1.26 -4.99 105.19 100.90 1qtt n GLY 97 Ca 0.05 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.61 0.75 -0.40 1.61 1.01 0.35 -5.04 120.40 116.08 1qtt s VAL 98 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1qtt s VAL 98 Cb 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1qtt s VAL 98 CO 0.00 0.26 1.02 -1.10 0.00 0.00 0.00 175.10 175.28 1qtt s GLN 99 N 0.55 3.81 -0.39 2.72 -0.21 -1.25 0.20 119.66 125.09 1qtt s GLN 99 Ca -0.09 0.62 -0.10 0.00 0.02 0.00 0.00 55.36 55.82 1qtt s GLN 99 Cb -0.12 -3.84 0.05 0.00 1.00 0.00 0.00 33.01 30.11 1qtt s GLN 99 CO 0.01 -1.10 0.23 -2.00 -2.12 0.00 0.00 175.29 170.30 1qtt s GLU 100 N 3.84 2.71 -0.26 2.91 2.12 0.16 0.11 118.70 130.30 1qtt s GLU 100 Ca 0.42 -1.27 -0.10 0.00 0.36 0.00 0.00 54.97 54.38 1qtt s GLU 100 Cb -0.10 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1qtt s GLU 100 CO 0.23 -0.82 0.14 -1.17 -0.54 0.00 0.00 175.26 173.10 1qtt s LEU 101 N 1.48 3.88 -0.26 2.70 0.20 0.95 -2.85 118.68 124.79 1qtt s LEU 101 Ca 0.02 -0.02 -0.13 0.00 0.69 0.00 0.00 54.13 54.69 1qtt s LEU 101 Cb -0.21 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1qtt s LEU 101 CO 0.04 -0.00 0.28 -0.76 -0.29 0.00 0.00 176.35 175.62 1qtt s LEU 102 N 1.46 4.06 -0.16 -0.68 1.43 0.25 0.32 118.68 125.36 1qtt s LEU 102 Ca 0.07 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 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 0.07 -0.09 -0.06 -0.76 0.23 0.00 0.00 176.35 175.74 1qtt s LEU 103 N 1.71 3.05 -0.11 1.79 1.43 -0.09 0.82 118.68 127.28 1qtt s LEU 103 Ca 0.12 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1qtt s LEU 103 Cb -0.15 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1qtt s LEU 103 CO 0.09 0.14 -0.22 -0.75 0.23 0.00 0.00 176.35 175.84 1qtt s LYS 104 N 0.51 3.09 -0.17 1.70 2.36 0.44 0.21 119.74 127.87 1qtt s LYS 104 Ca -0.05 -0.85 -0.04 0.00 -2.55 0.00 0.00 55.97 52.48 1qtt s LYS 104 Cb -0.15 -2.36 -0.02 0.00 -1.05 0.00 0.00 37.83 34.25 1qtt s LYS 104 CO 0.03 0.16 -0.03 -1.17 1.55 0.00 0.00 175.35 175.88 1qtt s LEU 105 N 0.41 3.20 0.24 5.43 2.96 1.00 0.30 118.68 132.21 1qtt s LEU 105 Ca -0.16 -0.18 0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1qtt s LEU 105 Cb -0.17 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1qtt s LEU 105 CO 0.07 0.13 -0.06 -1.48 -1.32 0.00 0.00 176.35 173.69 1qtt s LEU 106 N 0.62 3.03 -0.86 -0.68 -0.00 -1.26 -2.42 118.68 117.11 1qtt s LEU 106 Ca -0.02 -0.69 -0.25 0.00 -0.00 0.00 0.00 54.13 53.17 1qtt s LEU 106 Cb -0.14 -1.60 0.00 0.00 -0.00 0.00 0.00 46.19 44.45 1qtt s LEU 106 CO 0.02 0.04 1.64 -2.16 -0.00 0.00 0.00 176.35 175.89 1qtt s PRO 107 N -3.39 3.03 -0.50 1.48 0.04 -1.26 -4.80 135.00 129.60 1qtt s PRO 107 Ca 0.29 -0.39 -0.44 0.00 0.04 0.00 0.00 61.00 60.50 1qtt s PRO 107 Cb -0.07 -4.87 -0.19 0.00 0.04 0.00 0.00 34.50 29.41 1qtt s PRO 107 CO 0.18 -2.65 2.05 -3.47 0.04 0.00 0.00 177.00 173.15 1qtt n ASP 108 N 11.22 0.85 -3.89 6.66 -0.08 -1.26 -4.88 116.55 125.17 1qtt n ASP 108 Ca 0.27 0.76 -0.29 0.00 -1.51 0.00 0.00 54.79 54.02 1qtt n ASP 108 Cb 0.50 -0.90 -0.16 0.00 2.34 0.00 0.00 41.12 42.89 1qtt n ASP 108 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1qtt s ASP 109 N 5.53 3.25 0.07 1.67 2.15 -1.26 -5.12 116.67 122.97 1qtt s ASP 109 Ca 1.17 -0.89 0.03 0.00 0.43 0.00 0.00 52.55 53.29 1qtt s ASP 109 Cb -1.49 -0.98 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1qtt s ASP 109 CO 0.68 -0.22 -0.10 0.00 -0.17 0.00 0.00 175.17 175.36 1qtt s ARG 110 N 1.57 0.73 -0.17 4.34 1.70 -1.26 -5.13 118.95 120.73 1qtt s ARG 110 Ca -0.02 -1.00 -0.21 0.00 -0.47 0.00 0.00 55.73 54.03 1qtt s ARG 110 Cb -0.17 -0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 33.71 1qtt s ARG 110 CO -0.07 0.08 0.64 -1.54 -1.08 0.00 0.00 175.30 173.32 1qtt s SER 111 N -2.07 6.75 -0.09 -2.89 1.04 -1.26 -5.03 113.70 110.15 1qtt s SER 111 Ca -0.01 0.91 -0.30 0.00 0.48 0.00 0.00 55.95 57.03 1qtt s SER 111 Cb -0.06 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1qtt s SER 111 CO 0.00 -0.22 1.24 -2.16 0.98 0.00 0.00 173.24 173.08 1qtt s PRO 112 N 1.60 4.30 0.18 4.02 0.04 -1.26 -5.00 135.00 138.88 1qtt s PRO 112 Ca 0.30 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 1qtt s PRO 112 Cb -0.16 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.75 1qtt s PRO 112 CO 0.12 -0.56 0.42 0.20 0.04 0.00 0.00 177.00 177.22 1qtt s GLY 113 N 1.71 0.16 -0.02 0.56 0.00 -1.26 -5.17 107.32 103.30 1qtt s GLY 113 Ca 0.56 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1qtt s GLY 113 CO 0.19 -0.52 -0.12 -0.42 0.00 0.00 0.00 173.10 172.24 1qtt s ILE 114 N -3.92 0.97 -0.35 0.90 -1.09 -1.26 -5.10 121.20 111.36 1qtt s ILE 114 Ca 0.13 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1qtt s ILE 114 Cb 0.01 -0.83 0.13 0.00 -1.58 0.00 0.00 42.46 40.19 1qtt s ILE 114 CO -0.02 0.28 0.19 -2.28 -1.23 0.00 0.00 174.94 171.89 1qtt s HIS 115 N -0.09 0.87 0.61 3.97 2.46 -1.26 -5.13 115.29 116.73 1qtt s HIS 115 Ca 0.01 -1.59 -0.19 0.00 0.47 0.00 0.00 55.06 53.77 1qtt s HIS 115 Cb -0.07 -1.10 -0.03 0.00 -0.13 0.00 0.00 32.58 31.26 1qtt s HIS 115 CO 0.00 -0.83 1.27 0.50 -2.47 0.00 0.00 174.74 173.21 1qtt s ARG 116 N 1.22 2.79 0.00 2.88 3.52 -1.26 -5.38 118.95 122.72 1qtt s ARG 116 Ca 0.16 1.99 0.05 0.00 -0.13 0.00 0.00 55.73 57.80 1qtt s ARG 116 Cb -0.21 -1.93 0.30 0.00 -1.56 0.00 0.00 34.95 31.55 1qtt s ARG 116 CO -0.09 -1.39 0.78 -3.47 -0.81 0.00 0.00 175.30 170.32