#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 -6.48 -2.76 1.61 2.88 -1.26 -4.91 113.62 102.71 1qtt n SER 2 Ca 0.00 0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 58.20 1qtt n SER 2 Cb 0.00 -3.80 0.02 0.00 -0.75 0.00 0.00 64.21 59.68 1qtt n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1qtt n MET 3 N -3.64 0.60 -1.17 -1.46 0.00 -1.26 -5.15 117.12 105.04 1qtt n MET 3 Ca -0.02 -1.97 -0.33 0.00 0.00 0.00 0.00 57.70 55.38 1qtt n MET 3 Cb 0.64 -1.47 0.12 0.00 0.00 0.00 0.00 33.22 32.50 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 0.83 1.94 0.07 -5.12 0.00 -1.26 -4.82 121.76 113.40 1qtt s ALA 4 Ca 0.30 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1qtt s ALA 4 Cb 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1qtt s ALA 4 CO -0.10 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 173.94 1qtt n GLY 5 N 0.03 -2.73 3.63 0.00 0.00 -1.26 -5.10 105.19 99.77 1qtt n GLY 5 Ca 0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.24 0.23 -0.16 1.61 2.12 -1.26 -5.18 118.70 112.82 1qtt s GLU 6 Ca 0.00 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 1qtt s GLU 6 Cb 0.00 0.11 0.12 0.00 0.26 0.00 0.00 34.13 34.62 1qtt s GLU 6 CO 0.00 -0.06 0.98 -0.51 -0.54 0.00 0.00 175.26 175.13 1qtt s ASP 7 N -0.80 -0.39 1.26 -1.70 1.01 -1.26 -5.02 116.67 109.78 1qtt s ASP 7 Ca 0.05 0.43 -0.20 0.00 0.71 0.00 0.00 52.55 53.55 1qtt s ASP 7 Cb -0.02 0.33 0.31 0.00 1.01 0.00 0.00 42.92 44.55 1qtt s ASP 7 CO -0.06 -0.35 1.05 -0.69 0.21 0.00 0.00 175.17 175.32 1qtt s VAL 8 N -1.07 1.51 -0.00 -1.27 1.01 -1.26 -5.00 120.40 114.31 1qtt s VAL 8 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1qtt s VAL 8 Cb -0.01 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1qtt s VAL 8 CO 0.02 0.00 -0.10 0.61 0.00 0.00 0.00 175.10 175.63 1qtt n GLY 9 N -0.19 -0.17 3.63 4.51 0.00 -1.26 -5.09 105.19 106.62 1qtt n GLY 9 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.24 -1.81 0.99 4.61 0.00 -1.26 -5.18 121.76 116.87 1qtt s ALA 10 Ca -0.09 2.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.84 1qtt s ALA 10 Cb 0.02 -1.25 0.19 0.00 0.00 0.00 0.00 23.12 22.08 1qtt s ALA 10 CO 0.13 -0.35 1.17 -1.25 0.00 0.00 0.00 175.76 175.47 1qtt s PRO 11 N 0.66 0.50 -0.84 0.00 0.04 -1.26 -4.93 135.00 129.16 1qtt s PRO 11 Ca -0.02 0.05 -0.25 0.00 0.04 0.00 0.00 61.00 60.82 1qtt s PRO 11 Cb -0.05 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO -0.04 -2.59 1.64 -1.25 0.04 0.00 0.00 177.00 174.80 1qtt s PRO 12 N -5.44 3.01 0.57 0.56 0.04 -1.26 -4.81 135.00 127.67 1qtt s PRO 12 Ca 0.68 -0.34 0.43 0.00 0.04 0.00 0.00 61.00 61.80 1qtt s PRO 12 Cb -0.11 -4.83 1.54 0.00 0.04 0.00 0.00 34.50 31.14 1qtt s PRO 12 CO 0.54 -2.64 1.57 0.22 0.04 0.00 0.00 177.00 176.72 1qtt h ASP 13 N 11.33 0.00 -4.81 6.66 1.82 -1.95 -3.39 116.42 126.09 1qtt h ASP 13 Ca -0.02 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1qtt h ASP 13 Cb 1.05 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.85 1qtt h ASP 13 CO 1.29 0.00 -0.18 -1.38 -1.61 0.00 0.00 179.24 177.36 1qtt s HIS 14 N -4.78 -0.32 0.06 0.28 -3.43 -1.26 -0.13 115.29 105.71 1qtt s HIS 14 Ca -0.04 0.57 0.06 0.00 -0.80 0.00 0.00 55.06 54.85 1qtt s HIS 14 Cb 0.23 0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1qtt s HIS 14 CO 0.78 -0.40 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.45 1qtt s LEU 15 N -1.04 2.21 -0.19 5.38 1.43 -1.07 -3.59 118.68 121.81 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 -0.04 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.53 1qtt s LEU 15 CO 0.05 0.04 -0.02 0.26 0.23 0.00 0.00 176.35 176.91 1qtt s TRP 16 N -0.98 1.59 -0.01 0.29 0.51 0.28 -1.98 118.94 118.64 1qtt s TRP 16 Ca 0.03 -1.16 -0.30 0.00 -2.12 0.00 0.00 56.10 52.55 1qtt s TRP 16 Cb -0.09 -1.26 -0.06 0.00 -0.81 0.00 0.00 33.47 31.25 1qtt s TRP 16 CO 0.02 -0.65 1.59 0.54 -0.51 0.00 0.00 176.95 177.94 1qtt s VAL 17 N 1.67 3.47 -0.06 4.03 0.11 -1.04 0.13 120.40 128.70 1qtt s VAL 17 Ca -0.02 0.75 0.04 0.00 -2.93 0.00 0.00 61.98 59.82 1qtt s VAL 17 Cb -0.17 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 1qtt s VAL 17 CO -0.07 -0.03 -0.01 1.57 -3.33 0.00 0.00 175.10 173.23 1qtt n HIS 18 N 6.28 0.00 -4.10 1.54 -0.00 -0.84 -4.93 115.22 113.18 1qtt n HIS 18 Ca 0.16 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.25 1qtt n HIS 18 Cb 0.42 -0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 29.91 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 0.63 -0.42 1.57 -1.52 -1.21 -4.05 119.66 112.53 1qtt s GLN 19 Ca -0.05 -1.16 -0.34 0.00 -1.95 0.00 0.00 55.36 51.87 1qtt s GLN 19 Cb 0.02 0.06 -0.12 0.00 -0.22 0.00 0.00 33.01 32.76 1qtt s GLN 19 CO 0.21 -0.07 2.26 -0.85 -0.25 0.00 0.00 175.29 176.59 1qtt n GLU 20 N 0.31 0.99 -1.43 2.91 0.28 -1.26 0.17 120.64 122.61 1qtt n GLU 20 Ca -0.15 0.24 -0.02 0.00 -0.16 0.00 0.00 57.16 57.06 1qtt n GLU 20 Cb 0.60 -2.49 -0.01 0.00 1.43 0.00 0.00 31.44 30.97 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qtt n GLY 21 N 6.48 0.45 3.08 -1.84 0.00 -1.26 -4.94 105.19 107.17 1qtt n GLY 21 Ca 0.43 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.10 1.00 0.05 -0.61 1.09 0.45 0.22 121.20 121.31 1qtt s ILE 22 Ca 0.00 -0.53 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 1qtt s ILE 22 Cb 0.00 -0.84 -0.03 0.00 -1.06 0.00 0.00 42.46 40.53 1qtt s ILE 22 CO 0.00 0.29 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.75 1qtt s TYR 23 N -0.22 0.63 -0.12 3.97 2.02 0.35 -1.98 117.35 122.00 1qtt s TYR 23 Ca 0.03 -0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 1qtt s TYR 23 Cb -0.06 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1qtt s TYR 23 CO -0.00 -0.15 -0.04 0.50 -1.57 0.00 0.00 175.55 174.30 1qtt s ARG 24 N -2.30 3.27 0.98 -0.62 3.52 0.34 0.23 118.95 124.37 1qtt s ARG 24 Ca -0.04 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 1qtt s ARG 24 Cb -0.05 -2.80 0.22 0.00 -1.56 0.00 0.00 34.95 30.77 1qtt s ARG 24 CO -0.02 0.46 1.34 0.34 -0.81 0.00 0.00 175.30 176.61 1qtt s ASP 25 N -0.24 2.87 -0.08 -2.12 -1.08 0.56 -0.56 116.67 116.02 1qtt s ASP 25 Ca 0.04 0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.32 1qtt s ASP 25 Cb -0.13 -0.05 0.58 0.00 -1.46 0.00 0.00 42.92 41.86 1qtt s ASP 25 CO 0.02 -2.87 1.46 -1.84 0.52 0.00 0.00 175.17 172.46 1qtt n GLU 26 N -3.81 3.13 -1.49 4.34 0.28 -1.24 -3.95 120.64 117.90 1qtt n GLU 26 Ca 0.17 -2.29 0.04 0.00 -0.16 0.00 0.00 57.16 54.92 1qtt n GLU 26 Cb 0.59 -1.75 0.02 0.00 1.43 0.00 0.00 31.44 31.74 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 0.90 0.00 -3.02 -1.84 4.01 -1.26 -4.98 117.16 110.97 1qtt n TYR 27 Ca 0.21 -0.50 -0.12 0.00 -0.16 0.00 0.00 57.90 57.33 1qtt n TYR 27 Cb 0.72 -0.14 0.06 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.49 -4.65 -3.98 -0.72 6.02 -1.25 -5.02 117.38 108.27 1qtt n GLN 28 Ca 0.06 0.56 -0.30 0.00 -0.01 0.00 0.00 57.00 57.31 1qtt n GLN 28 Cb 1.14 -4.75 -0.16 0.00 1.02 0.00 0.00 30.24 27.49 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 -5.15 2.02 0.40 -1.09 0.52 -1.26 -4.93 118.95 109.46 1qtt s ARG 29 Ca 0.10 -0.63 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 1qtt s ARG 29 Cb -0.04 -2.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 1qtt s ARG 29 CO 0.49 -0.33 0.97 0.95 0.02 0.00 0.00 175.30 177.39 1qtt s THR 30 N 1.49 4.21 0.05 0.02 -4.23 -1.26 0.21 115.64 116.13 1qtt s THR 30 Ca 0.02 1.53 0.03 0.00 -1.18 0.00 0.00 61.69 62.10 1qtt s THR 30 Cb -0.14 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1qtt s THR 30 CO -0.09 -0.15 -0.11 0.26 -0.54 0.00 0.00 174.62 173.99 1qtt s TRP 31 N -1.95 0.91 -0.54 3.99 0.52 0.63 -2.88 118.94 119.62 1qtt s TRP 31 Ca 0.59 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 1qtt s TRP 31 Cb -0.14 -0.53 0.14 0.00 -1.15 0.00 0.00 33.47 31.79 1qtt s TRP 31 CO 0.18 -0.02 0.33 0.08 0.02 0.00 0.00 176.95 177.54 1qtt s VAL 32 N -1.17 3.28 -0.40 4.03 1.01 0.68 0.13 120.40 127.97 1qtt s VAL 32 Ca -0.05 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 58.82 1qtt s VAL 32 Cb -0.09 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1qtt s VAL 32 CO 0.01 -0.81 1.27 0.00 0.00 0.00 0.00 175.10 175.57 1qtt s ALA 33 N 0.18 3.20 -0.59 5.51 0.00 0.59 -1.21 121.76 129.45 1qtt s ALA 33 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1qtt s ALA 33 Cb -0.22 -3.86 0.15 0.00 0.00 0.00 0.00 23.12 19.19 1qtt s ALA 33 CO -0.03 -2.12 0.51 0.08 0.00 0.00 0.00 175.76 174.19 1qtt s VAL 34 N 4.71 4.87 -0.14 0.00 1.01 0.57 -4.01 120.40 127.42 1qtt s VAL 34 Ca 0.54 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 1qtt s VAL 34 Cb -0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1qtt s VAL 34 CO 0.29 -0.88 1.88 0.54 0.00 0.00 0.00 175.10 176.93 1qtt s VAL 35 N 1.09 3.31 -0.23 2.92 0.11 -1.26 -1.82 120.40 124.52 1qtt s VAL 35 Ca 0.08 0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 59.45 1qtt s VAL 35 Cb -0.24 -3.31 0.10 0.00 -1.53 0.00 0.00 36.38 31.40 1qtt s VAL 35 CO -0.01 -0.12 0.21 -0.70 -3.33 0.00 0.00 175.10 171.14 1qtt s GLU 36 N 5.03 0.20 0.54 1.54 2.12 0.20 -4.99 118.70 123.34 1qtt s GLU 36 Ca 0.84 0.01 -0.19 0.00 0.36 0.00 0.00 54.97 56.00 1qtt s GLU 36 Cb -0.33 -1.19 -0.06 0.00 0.26 0.00 0.00 34.13 32.82 1qtt s GLU 36 CO 0.34 -0.77 1.10 -1.21 -0.54 0.00 0.00 175.26 174.18 1qtt s GLU 37 N 2.28 3.42 -0.28 4.30 2.02 -1.26 -3.06 118.70 126.12 1qtt s GLU 37 Ca 0.07 1.50 -0.16 0.00 0.02 0.00 0.00 54.97 56.40 1qtt s GLU 37 Cb -0.15 -2.03 0.09 0.00 0.10 0.00 0.00 34.13 32.14 1qtt s GLU 37 CO -0.18 -0.77 0.72 -1.83 0.02 0.00 0.00 175.26 173.21 1qtt s GLU 38 N -3.39 0.67 -1.73 1.61 4.04 -1.16 -4.89 118.70 113.85 1qtt s GLU 38 Ca 0.70 1.16 0.00 0.00 0.04 0.00 0.00 54.97 56.88 1qtt s GLU 38 Cb -0.21 0.13 0.00 0.00 0.02 0.00 0.00 34.13 34.07 1qtt s GLU 38 CO 0.27 -0.14 0.00 2.41 -1.84 0.00 0.00 175.26 175.96 1qtt n THR 39 N 4.25 -0.20 -2.52 1.83 -1.04 -1.26 -1.86 114.28 113.48 1qtt n THR 39 Ca -0.20 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.79 1qtt n THR 39 Cb 0.59 -1.93 0.01 0.00 -1.82 0.00 0.00 70.33 67.18 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 -0.89 -2.31 -4.18 8.00 2.88 -1.26 -5.07 113.62 110.80 1qtt n SER 40 Ca -0.18 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.07 1qtt n SER 40 Cb 0.58 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 63.09 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 -3.03 1.80 -0.55 0.66 0.08 -0.78 -5.00 117.98 111.18 1qtt s PHE 41 Ca 0.04 -1.23 0.04 0.00 0.12 0.00 0.00 56.93 55.90 1qtt s PHE 41 Cb -0.02 -1.18 0.14 0.00 -0.57 0.00 0.00 43.02 41.39 1qtt s PHE 41 CO 0.06 -0.25 0.30 -0.51 -0.10 0.00 0.00 175.22 174.72 1qtt s LEU 42 N -3.59 4.29 -0.25 -0.37 2.01 -1.23 -3.01 118.68 116.53 1qtt s LEU 42 Ca 0.25 -3.15 -0.14 0.00 0.01 0.00 0.00 54.13 51.11 1qtt s LEU 42 Cb 0.03 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.59 1qtt s LEU 42 CO 0.14 -0.21 0.32 -0.60 1.01 0.00 0.00 176.35 177.02 1qtt s ARG 43 N -0.47 4.04 -0.85 1.70 3.52 -1.17 -1.01 118.95 124.71 1qtt s ARG 43 Ca 0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1qtt s ARG 43 Cb -0.22 -3.62 0.21 0.00 -1.56 0.00 0.00 34.95 29.77 1qtt s ARG 43 CO -0.03 -0.17 0.73 0.00 -0.81 0.00 0.00 175.30 175.02 1qtt s ALA 44 N 1.74 4.15 -0.22 6.12 0.00 0.31 0.61 121.76 134.47 1qtt s ALA 44 Ca 0.13 -3.73 -0.29 0.00 0.00 0.00 0.00 51.96 48.08 1qtt s ALA 44 Cb -0.15 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1qtt s ALA 44 CO 0.09 -2.15 2.21 -2.13 0.00 0.00 0.00 175.76 173.78 1qtt n ARG 45 N 2.60 1.90 -3.41 0.00 0.63 -0.76 -2.95 116.66 114.67 1qtt n ARG 45 Ca 0.19 0.53 -0.43 0.00 -0.92 0.00 0.00 57.85 57.22 1qtt n ARG 45 Cb 0.38 -3.15 -0.09 0.00 0.45 0.00 0.00 32.46 30.04 1qtt n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1qtt s VAL 46 N 8.06 5.20 -0.13 5.15 1.01 0.95 0.21 120.40 140.86 1qtt s VAL 46 Ca 1.01 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1qtt s VAL 46 Cb -0.40 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1qtt s VAL 46 CO 0.37 -0.37 0.00 -1.58 0.00 0.00 0.00 175.10 173.53 1qtt s GLN 47 N 1.82 3.45 -0.14 2.72 0.74 -0.35 0.29 119.66 128.20 1qtt s GLN 47 Ca 0.07 -0.42 -0.22 0.00 0.05 0.00 0.00 55.36 54.84 1qtt s GLN 47 Cb -0.19 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 1qtt s GLN 47 CO 0.11 0.45 0.65 -1.14 -0.55 0.00 0.00 175.29 174.81 1qtt s GLN 48 N -0.19 4.32 0.36 1.67 2.00 0.45 0.25 119.66 128.51 1qtt s GLN 48 Ca 0.05 0.72 -0.10 0.00 -2.00 0.00 0.00 55.36 54.03 1qtt s GLN 48 Cb -0.12 -3.51 0.03 0.00 0.80 0.00 0.00 33.01 30.20 1qtt s GLN 48 CO 0.02 -0.08 0.63 0.96 -0.50 0.00 0.00 175.29 176.32 1qtt s ILE 49 N 1.33 0.00 -0.37 -2.34 -0.00 -1.14 -4.03 121.20 114.66 1qtt s ILE 49 Ca 0.32 -1.30 -0.07 0.00 -0.00 0.00 0.00 60.65 59.61 1qtt s ILE 49 Cb -0.16 -2.70 0.06 0.00 -0.00 0.00 0.00 42.46 39.65 1qtt s ILE 49 CO 0.13 0.00 0.16 -1.10 -0.00 0.00 0.00 174.94 174.13 1qtt s GLN 50 N -2.80 2.53 -0.05 0.37 1.11 -1.26 -4.14 119.66 115.43 1qtt s GLN 50 Ca 0.23 -1.35 -0.02 0.00 0.01 0.00 0.00 55.36 54.23 1qtt s GLN 50 Cb -0.03 -3.57 0.04 0.00 -1.01 0.00 0.00 33.01 28.44 1qtt s GLN 50 CO 0.15 -0.81 0.11 0.54 0.01 0.00 0.00 175.29 175.29 1qtt s VAL 51 N 1.37 -0.08 -1.16 1.09 0.11 -1.26 -5.05 120.40 115.42 1qtt s VAL 51 Ca 0.01 0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.15 1qtt s VAL 51 Cb -0.21 -0.19 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 1qtt s VAL 51 CO 0.02 0.09 2.27 -0.81 -3.33 0.00 0.00 175.10 173.34 1qtt n PRO 52 N 4.37 2.46 -1.58 1.54 -0.04 -1.26 -4.90 135.00 135.59 1qtt n PRO 52 Ca -0.24 -2.00 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 1qtt n PRO 52 Cb 0.51 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1qtt n PRO 52 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1qtt n LEU 53 N 5.41 3.05 0.00 1.53 -0.00 -1.26 -4.82 117.00 120.91 1qtt n LEU 53 Ca 0.55 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1qtt n LEU 53 Cb 0.29 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.16 1qtt n LEU 53 CO 0.88 -0.82 0.00 0.61 -0.00 0.00 0.00 177.39 178.05 1qtt n GLY 54 N 5.86 -0.43 3.50 1.47 0.00 -1.26 -4.96 105.19 109.37 1qtt n GLY 54 Ca 0.32 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.24 0.18 -2.93 1.61 4.64 -1.26 -4.91 116.55 111.63 1qtt n ASP 55 Ca 0.00 1.15 -0.13 0.00 -1.38 0.00 0.00 54.79 54.43 1qtt n ASP 55 Cb 0.00 -1.11 0.01 0.00 -1.04 0.00 0.00 41.12 38.97 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1qtt n ALA 56 N 0.43 2.40 -1.46 -1.67 0.00 -1.26 -4.50 120.51 114.46 1qtt n ALA 56 Ca 0.15 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1qtt n ALA 56 Cb 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.11 0.00 -3.15 0.00 0.00 -1.26 -5.03 120.51 111.18 1qtt n ALA 57 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1qtt n ALA 57 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 1.60 0.00 0.00 1.74 -1.26 -4.93 116.66 113.81 1qtt n ARG 58 Ca 0.00 -3.82 0.00 0.00 -0.77 0.00 0.00 57.85 53.26 1qtt n ARG 58 Cb 0.00 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 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 0.42 0.00 0.23 5.56 -0.04 -1.26 -3.32 135.00 136.59 1qtt n PRO 59 Ca 0.26 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.90 1qtt n PRO 59 Cb 0.55 -0.74 0.55 0.00 -0.04 0.00 0.00 33.50 33.82 1qtt n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qtt h SER 60 N 0.00 0.00 -0.47 3.54 4.64 -1.92 2.17 113.55 121.51 1qtt h SER 60 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1qtt h SER 60 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1qtt h SER 60 CO 0.00 0.16 0.34 0.45 -0.87 0.00 0.00 176.83 176.91 1qtt h HIS 61 N 0.00 0.07 0.00 4.77 3.86 -1.93 1.48 115.15 123.41 1qtt h HIS 61 Ca -0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1qtt h HIS 61 Cb 0.30 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1qtt h HIS 61 CO 0.00 0.03 -1.56 1.28 0.86 0.00 0.00 177.93 178.54 1qtt n LEU 62 N -4.42 0.92 0.05 2.43 4.32 -0.52 -3.84 117.00 115.94 1qtt n LEU 62 Ca 0.08 -0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 1qtt n LEU 62 Cb 0.51 0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 1qtt n LEU 62 CO 0.36 0.34 0.47 0.25 -1.22 0.00 0.00 177.39 177.59 1qtt h LEU 63 N 0.00 -0.16 0.07 2.23 5.85 0.38 -3.38 115.31 120.31 1qtt h LEU 63 Ca -0.22 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 1qtt h LEU 63 Cb 1.45 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1qtt h LEU 63 CO -0.00 0.38 -0.04 0.74 -0.34 0.00 0.00 178.44 179.18 1qtt h THR 64 N -0.77 0.00 -3.35 1.05 2.02 0.18 -3.48 112.91 108.56 1qtt h THR 64 Ca -0.02 -0.23 -0.26 0.00 0.77 0.00 0.00 66.41 66.67 1qtt h THR 64 Cb 0.54 0.00 0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1qtt h THR 64 CO 0.03 0.00 -0.40 -1.54 0.37 0.00 0.00 175.52 173.98 1qtt n SER 65 N -2.92 -4.56 0.08 4.18 3.41 -0.10 -4.89 113.62 108.82 1qtt n SER 65 Ca -0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1qtt n SER 65 Cb 0.04 -3.34 0.00 0.00 -0.26 0.00 0.00 64.21 60.65 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 -3.00 0.00 -2.12 4.33 1.13 -1.26 -5.07 117.38 111.39 1qtt n GLN 66 Ca -0.05 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.62 1qtt n GLN 66 Cb 0.56 -0.27 -0.01 0.00 0.11 0.00 0.00 30.24 30.63 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 -6.79 4.21 0.74 1.08 1.02 -1.26 -5.00 118.68 112.68 1qtt s LEU 67 Ca 0.00 2.57 -0.11 0.00 0.02 0.00 0.00 54.13 56.61 1qtt s LEU 67 Cb 0.00 -3.93 0.03 0.00 0.02 0.00 0.00 46.19 42.32 1qtt s LEU 67 CO 0.00 -0.80 1.08 -2.16 0.02 0.00 0.00 176.35 174.49 1qtt s PRO 68 N -2.24 2.58 0.51 1.29 0.04 -1.26 -4.93 135.00 130.99 1qtt s PRO 68 Ca 0.57 0.81 0.33 0.00 0.04 0.00 0.00 61.00 62.75 1qtt s PRO 68 Cb -0.36 -1.96 1.36 0.00 0.04 0.00 0.00 34.50 33.58 1qtt s PRO 68 CO 0.46 -1.32 1.96 1.25 0.04 0.00 0.00 177.00 179.40 1qtt h LEU 69 N -0.87 0.00 -7.00 -3.56 7.12 -1.94 -3.44 115.31 105.62 1qtt h LEU 69 Ca -0.45 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 1qtt h LEU 69 Cb 1.24 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.16 1qtt h LEU 69 CO 0.58 0.00 0.19 -0.32 -0.13 0.00 0.00 178.44 178.76 1qtt s MET 70 N -3.64 0.86 0.17 1.25 1.75 -1.26 -2.51 119.30 115.92 1qtt s MET 70 Ca 0.01 0.72 0.06 0.00 -1.25 0.00 0.00 55.69 55.23 1qtt s MET 70 Cb 0.09 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.14 1qtt s MET 70 CO 0.51 -0.17 0.05 -1.58 -0.65 0.00 0.00 175.02 173.18 1qtt s TRP 71 N -0.14 2.96 -0.34 4.11 0.51 -0.84 -3.39 118.94 121.80 1qtt s TRP 71 Ca -0.03 -0.09 -0.01 0.00 -2.12 0.00 0.00 56.10 53.85 1qtt s TRP 71 Cb -0.03 -1.43 0.13 0.00 -0.81 0.00 0.00 33.47 31.32 1qtt s TRP 71 CO 0.03 0.52 0.18 -1.14 -0.51 0.00 0.00 176.95 176.03 1qtt s GLN 72 N -2.97 0.58 -0.26 4.98 2.00 0.14 -2.61 119.66 121.52 1qtt s GLN 72 Ca 0.29 -1.21 -0.43 0.00 -2.00 0.00 0.00 55.36 52.01 1qtt s GLN 72 Cb -0.10 -1.48 -0.20 0.00 0.80 0.00 0.00 33.01 32.04 1qtt s GLN 72 CO 0.20 -1.14 1.39 -0.11 -0.50 0.00 0.00 175.29 175.13 1qtt n LEU 73 N 4.34 0.83 0.00 3.68 7.94 0.81 -0.62 117.00 133.98 1qtt n LEU 73 Ca 0.06 1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 55.84 1qtt n LEU 73 Cb 0.38 -0.93 -0.06 0.00 0.53 0.00 0.00 43.42 43.34 1qtt n LEU 73 CO 0.13 -1.24 -0.21 -1.22 -1.11 0.00 0.00 177.39 173.74 1qtt n TYR 74 N 3.03 0.98 -1.55 1.96 4.02 0.52 -4.78 117.16 121.34 1qtt n TYR 74 Ca 0.26 -2.24 -0.30 0.00 -0.01 0.00 0.00 57.90 55.61 1qtt n TYR 74 Cb 0.02 -0.28 0.10 0.00 -0.02 0.00 0.00 39.34 39.17 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 -3.61 1.85 0.00 -0.72 0.04 -1.26 -3.27 135.00 128.02 1qtt s PRO 75 Ca 0.01 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1qtt s PRO 75 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1qtt s PRO 75 CO 0.01 -1.76 0.00 -1.91 0.04 0.00 0.00 177.00 173.37 1qtt n GLU 76 N -3.52 -0.11 -2.66 4.56 4.07 -1.26 -3.43 120.64 118.29 1qtt n GLU 76 Ca 0.07 0.03 -0.08 0.00 -0.06 0.00 0.00 57.16 57.12 1qtt n GLU 76 Cb 0.57 -3.01 0.04 0.00 -0.06 0.00 0.00 31.44 28.98 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1qtt n GLU 77 N -2.46 -3.02 -4.09 5.31 2.13 -1.25 -4.94 120.64 112.32 1qtt n GLU 77 Ca 0.00 0.39 -0.07 0.00 0.66 0.00 0.00 57.16 58.13 1qtt n GLU 77 Cb 0.03 -4.03 -0.10 0.00 0.27 0.00 0.00 31.44 27.61 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 -4.64 0.63 -0.21 5.31 0.52 -1.20 -2.36 118.95 116.99 1qtt s ARG 78 Ca 0.01 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 53.96 1qtt s ARG 78 Cb -0.00 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.67 1qtt s ARG 78 CO 0.33 -0.12 -0.05 0.71 0.02 0.00 0.00 175.30 176.19 1qtt s TYR 79 N -3.92 2.95 -0.32 -0.53 1.51 0.38 0.19 117.35 117.61 1qtt s TYR 79 Ca 0.08 -0.87 -0.15 0.00 -1.01 0.00 0.00 57.07 55.12 1qtt s TYR 79 Cb 0.08 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1qtt s TYR 79 CO -0.10 -0.48 0.35 1.41 -1.11 0.00 0.00 175.55 175.62 1qtt s MET 80 N 1.29 3.72 0.25 -0.62 -2.45 0.21 0.10 119.30 121.80 1qtt s MET 80 Ca 0.03 -0.29 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1qtt s MET 80 Cb -0.14 -3.75 0.06 0.00 1.25 0.00 0.00 34.83 32.25 1qtt s MET 80 CO -0.02 -0.43 0.23 -0.40 1.05 0.00 0.00 175.02 175.46 1qtt n ASP 81 N 5.34 -1.09 -0.29 1.11 5.68 -0.57 -0.69 116.55 126.04 1qtt n ASP 81 Ca -0.09 -0.69 0.04 0.00 -0.50 0.00 0.00 54.79 53.54 1qtt n ASP 81 Cb 0.50 -0.21 0.03 0.00 -1.14 0.00 0.00 41.12 40.30 1qtt n ASP 81 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qtt n ASN 82 N -3.36 1.65 -0.07 -1.12 6.94 -1.22 -4.59 115.26 113.48 1qtt n ASN 82 Ca 0.03 -1.33 -0.14 0.00 -0.02 0.00 0.00 54.58 53.12 1qtt n ASN 82 Cb 0.12 -0.01 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 1qtt n ASN 82 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1qtt h ASN 83 N 1.40 0.00 0.00 0.53 -0.73 -1.94 -3.48 115.58 111.36 1qtt h ASN 83 Ca 0.00 -0.81 0.00 0.00 1.87 0.00 0.00 56.30 57.36 1qtt h ASN 83 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1qtt h ASN 83 CO 0.00 1.04 0.00 -1.20 -0.37 0.00 0.00 177.43 176.90 1qtt n SER 84 N -4.59 0.00 -3.96 1.15 7.64 -1.26 -5.17 113.62 107.43 1qtt n SER 84 Ca -0.13 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.66 1qtt n SER 84 Cb 0.47 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qtt s ARG 85 N 0.00 0.86 -0.17 1.43 0.52 -1.26 -5.06 118.95 115.27 1qtt s ARG 85 Ca 0.00 -1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1qtt s ARG 85 Cb 0.00 0.31 0.04 0.00 0.52 0.00 0.00 34.95 35.82 1qtt s ARG 85 CO 0.00 -0.26 -0.08 -1.17 0.02 0.00 0.00 175.30 173.81 1qtt s LEU 86 N -2.91 1.79 0.01 2.53 0.20 -1.26 -1.51 118.68 117.52 1qtt s LEU 86 Ca 0.10 -0.69 -0.19 0.00 0.69 0.00 0.00 54.13 54.04 1qtt s LEU 86 Cb 0.06 -1.02 -0.06 0.00 -0.43 0.00 0.00 46.19 44.73 1qtt s LEU 86 CO -0.07 -0.16 0.54 0.26 -0.29 0.00 0.00 176.35 176.63 1qtt s TRP 87 N 1.56 3.71 -0.25 5.38 0.52 0.28 -4.26 118.94 125.88 1qtt s TRP 87 Ca 0.01 1.15 -0.15 0.00 0.02 0.00 0.00 56.10 57.13 1qtt s TRP 87 Cb -0.15 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 1qtt s TRP 87 CO -0.08 0.46 0.37 -1.14 0.02 0.00 0.00 176.95 176.58 1qtt s GLN 88 N -0.56 4.06 -0.71 4.98 0.74 0.81 0.14 119.66 129.12 1qtt s GLN 88 Ca 0.28 0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.49 1qtt s GLN 88 Cb -0.18 -3.62 -0.11 0.00 1.10 0.00 0.00 33.01 30.20 1qtt s GLN 88 CO 0.16 -0.20 2.39 0.42 -0.55 0.00 0.00 175.29 177.51 1qtt s ILE 89 N 1.82 3.03 0.23 -2.34 -1.09 -1.00 -0.39 121.20 121.46 1qtt s ILE 89 Ca 0.15 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.50 1qtt s ILE 89 Cb -0.15 -3.07 0.19 0.00 -1.58 0.00 0.00 42.46 37.85 1qtt s ILE 89 CO 0.09 -0.06 1.75 1.56 -1.23 0.00 0.00 174.94 177.05 1qtt h GLN 90 N 14.50 0.48 -1.38 2.79 1.08 -0.18 -3.44 115.11 128.96 1qtt h GLN 90 Ca -0.06 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.23 1qtt h GLN 90 Cb 1.07 -0.11 -0.28 0.00 -0.05 0.00 0.00 27.48 28.12 1qtt h GLN 90 CO 1.06 0.32 0.65 -3.38 -0.95 0.00 0.00 178.83 176.52 1qtt s HIS 91 N -6.04 -0.29 -0.10 2.96 -3.43 -1.20 -4.97 115.29 102.23 1qtt s HIS 91 Ca -0.13 0.64 -0.03 0.00 -0.80 0.00 0.00 55.06 54.74 1qtt s HIS 91 Cb 0.19 0.43 0.04 0.00 -1.43 0.00 0.00 32.58 31.81 1qtt s HIS 91 CO 0.76 -0.17 0.07 -1.58 -2.00 0.00 0.00 174.74 171.82 1qtt s HIS 92 N -0.24 0.13 0.05 0.38 2.46 -1.26 0.55 115.29 117.36 1qtt s HIS 92 Ca 0.04 0.00 -0.02 0.00 0.47 0.00 0.00 55.06 55.56 1qtt s HIS 92 Cb -0.04 -0.58 0.01 0.00 -0.13 0.00 0.00 32.58 31.84 1qtt s HIS 92 CO -0.08 -0.33 0.10 1.47 -2.47 0.00 0.00 174.74 173.44 1qtt n LEU 93 N 5.29 0.00 -4.24 8.88 -0.00 -1.14 -4.99 117.00 120.80 1qtt n LEU 93 Ca -0.05 -0.37 -0.33 0.00 -0.00 0.00 0.00 56.01 55.27 1qtt n LEU 93 Cb 0.50 0.50 -0.15 0.00 -0.00 0.00 0.00 43.42 44.26 1qtt n LEU 93 CO 0.08 -0.11 -0.49 -0.32 -0.00 0.00 0.00 177.39 176.54 1qtt s MET 94 N -2.03 3.17 -0.07 1.47 -2.45 -1.26 -1.00 119.30 117.13 1qtt s MET 94 Ca 0.03 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.74 1qtt s MET 94 Cb -0.01 -2.60 0.00 0.00 1.25 0.00 0.00 34.83 33.47 1qtt s MET 94 CO 0.02 -0.01 -0.19 0.08 1.05 0.00 0.00 175.02 175.97 1qtt s VAL 95 N 0.88 1.61 -1.53 10.11 1.01 0.51 -4.71 120.40 128.28 1qtt s VAL 95 Ca -0.04 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1qtt s VAL 95 Cb -0.15 -1.40 0.12 0.00 0.00 0.00 0.00 36.38 34.95 1qtt s VAL 95 CO -0.01 0.46 0.75 0.54 0.00 0.00 0.00 175.10 176.83 1qtt n ARG 96 N 3.41 -3.78 -1.92 2.72 5.12 -1.26 0.15 116.66 121.09 1qtt n ARG 96 Ca -0.20 0.45 -0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1qtt n ARG 96 Cb 0.52 -5.22 -0.02 0.00 -1.16 0.00 0.00 32.46 26.58 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 -1.39 0.40 3.03 -0.13 0.00 -1.26 -5.00 105.19 100.84 1qtt n GLY 97 Ca 0.04 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.57 0.93 -0.38 1.61 1.01 0.39 -5.06 120.40 116.33 1qtt s VAL 98 Ca 0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1qtt s VAL 98 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1qtt s VAL 98 CO 0.00 0.29 0.99 -1.10 0.00 0.00 0.00 175.10 175.28 1qtt s GLN 99 N 0.17 3.84 -0.38 2.72 -1.52 -1.26 0.19 119.66 123.43 1qtt s GLN 99 Ca -0.03 0.65 -0.06 0.00 -1.95 0.00 0.00 55.36 53.96 1qtt s GLN 99 Cb -0.09 -3.82 0.07 0.00 -0.22 0.00 0.00 33.01 28.95 1qtt s GLN 99 CO 0.01 -1.04 0.17 -2.00 -0.25 0.00 0.00 175.29 172.18 1qtt s GLU 100 N 3.71 2.48 -0.24 2.91 2.12 -0.17 0.17 118.70 129.67 1qtt s GLU 100 Ca 0.41 -1.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.25 1qtt s GLU 100 Cb -0.11 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1qtt s GLU 100 CO 0.21 -0.84 0.09 -1.17 -0.54 0.00 0.00 175.26 173.01 1qtt s LEU 101 N 1.34 3.64 -0.25 2.70 0.20 0.85 -2.87 118.68 124.29 1qtt s LEU 101 Ca 0.01 -0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.62 1qtt s LEU 101 Cb -0.21 -1.97 -0.05 0.00 -0.43 0.00 0.00 46.19 43.53 1qtt s LEU 101 CO 0.01 0.02 0.20 -0.76 -0.29 0.00 0.00 176.35 175.52 1qtt s LEU 102 N 1.32 4.10 -0.15 -0.68 1.43 0.19 0.32 118.68 125.21 1qtt s LEU 102 Ca 0.05 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1qtt s LEU 102 Cb -0.15 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1qtt s LEU 102 CO 0.04 0.02 -0.11 -0.76 0.23 0.00 0.00 176.35 175.77 1qtt s LEU 103 N 1.26 2.76 -0.12 1.79 1.43 -1.15 0.58 118.68 125.22 1qtt s LEU 103 Ca 0.09 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1qtt s LEU 103 Cb -0.14 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1qtt s LEU 103 CO 0.06 0.12 -0.17 -0.75 0.23 0.00 0.00 176.35 175.84 1qtt s LYS 104 N 0.59 3.25 -0.28 1.70 2.47 0.47 0.11 119.74 128.06 1qtt s LYS 104 Ca -0.07 -0.76 -0.06 0.00 -1.56 0.00 0.00 55.97 53.52 1qtt s LYS 104 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.72 1qtt s LYS 104 CO 0.03 0.19 0.05 -1.17 0.16 0.00 0.00 175.35 174.61 1qtt s LEU 105 N 0.36 3.63 0.28 5.43 2.96 -0.18 0.28 118.68 131.45 1qtt s LEU 105 Ca -0.14 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.04 1qtt s LEU 105 Cb -0.17 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 1qtt s LEU 105 CO 0.07 -0.15 0.63 -0.76 -1.32 0.00 0.00 176.35 174.82 1qtt s LEU 106 N 1.49 4.09 -0.40 -0.68 1.02 -1.26 -3.56 118.68 119.38 1qtt s LEU 106 Ca 0.03 1.02 -0.29 0.00 0.02 0.00 0.00 54.13 54.91 1qtt s LEU 106 Cb -0.17 -3.81 0.01 0.00 0.02 0.00 0.00 46.19 42.24 1qtt s LEU 106 CO 0.01 -0.16 1.40 -2.16 0.02 0.00 0.00 176.35 175.46 1qtt s PRO 107 N -3.07 3.61 -0.66 1.29 0.04 -1.26 -4.88 135.00 130.07 1qtt s PRO 107 Ca 0.49 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1qtt s PRO 107 Cb -0.11 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 1qtt s PRO 107 CO 0.22 -1.51 1.74 0.16 0.04 0.00 0.00 177.00 177.65 1qtt s ASP 108 N 3.82 5.46 0.15 6.66 1.47 -1.26 -4.95 116.67 128.02 1qtt s ASP 108 Ca 0.61 0.10 0.10 0.00 1.18 0.00 0.00 52.55 54.54 1qtt s ASP 108 Cb -0.14 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 39.86 1qtt s ASP 108 CO 0.31 -2.28 -0.23 -0.62 0.68 0.00 0.00 175.17 173.04 1qtt s ASP 109 N 7.19 3.05 0.03 2.11 2.15 -1.26 -5.07 116.67 124.87 1qtt s ASP 109 Ca 0.61 -0.80 -0.30 0.00 0.43 0.00 0.00 52.55 52.48 1qtt s ASP 109 Cb -0.11 -0.20 -0.15 0.00 -0.30 0.00 0.00 42.92 42.15 1qtt s ASP 109 CO 0.18 0.08 0.76 0.54 -0.17 0.00 0.00 175.17 176.56 1qtt n ARG 110 N 0.58 0.00 -1.66 4.34 1.74 -1.26 -4.53 116.66 115.86 1qtt n ARG 110 Ca -0.15 0.00 -0.66 0.00 -0.77 0.00 0.00 57.85 56.27 1qtt n ARG 110 Cb 0.55 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 1qtt n ARG 110 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qtt n SER 111 N 1.27 1.18 -4.82 0.55 7.64 -1.26 -4.88 113.62 113.30 1qtt n SER 111 Ca 0.16 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.82 1qtt n SER 111 Cb 0.09 -0.89 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1qtt n SER 111 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1qtt s PRO 112 N 3.54 2.90 -0.49 1.43 0.04 -1.26 -5.05 135.00 136.10 1qtt s PRO 112 Ca 1.07 0.94 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1qtt s PRO 112 Cb -1.48 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 31.26 1qtt s PRO 112 CO 0.79 -1.12 0.75 0.20 0.04 0.00 0.00 177.00 177.65 1qtt s GLY 113 N -3.80 -1.32 -0.49 0.56 0.00 -1.26 -5.10 107.32 95.91 1qtt s GLY 113 Ca 0.58 -0.26 -0.35 0.00 0.00 0.00 0.00 44.72 44.69 1qtt s GLY 113 CO 0.55 3.72 2.29 1.39 0.00 0.00 0.00 173.10 181.04 1qtt n ILE 114 N 3.08 0.09 -2.59 0.90 2.08 -1.26 -4.83 119.36 116.83 1qtt n ILE 114 Ca 0.17 -0.23 -0.43 0.00 0.56 0.00 0.00 62.75 62.81 1qtt n ILE 114 Cb 0.57 -1.39 -0.02 0.00 -0.75 0.00 0.00 39.64 38.05 1qtt n ILE 114 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 1qtt s HIS 115 N 7.89 2.78 0.10 1.39 -3.43 -1.26 -4.96 115.29 117.80 1qtt s HIS 115 Ca 1.14 0.70 -0.34 0.00 -0.80 0.00 0.00 55.06 55.76 1qtt s HIS 115 Cb -0.96 -4.45 -0.14 0.00 -1.43 0.00 0.00 32.58 25.61 1qtt s HIS 115 CO 0.49 -1.33 1.63 0.54 -2.00 0.00 0.00 174.74 174.08 1qtt n ARG 116 N 7.90 2.09 0.00 -0.38 1.74 -1.26 -5.36 116.66 121.38 1qtt n ARG 116 Ca 0.12 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 1qtt n ARG 116 Cb 0.49 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1qtt n ARG 116 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64