#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 -2.52 -3.45 1.61 7.64 -1.26 -5.11 113.62 110.52 1qtt n SER 2 Ca 0.00 -2.64 -0.16 0.00 1.01 0.00 0.00 58.87 57.08 1qtt n SER 2 Cb 0.00 1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 64.54 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 0.64 0.24 0.10 1.43 0.23 -1.26 -5.14 119.30 115.54 1qtt s MET 3 Ca 0.29 0.22 -0.25 0.00 -1.03 0.00 0.00 55.69 54.92 1qtt s MET 3 Cb 0.16 -1.01 0.07 0.00 -1.53 0.00 0.00 34.83 32.53 1qtt s MET 3 CO -0.15 -0.70 0.62 0.00 -2.03 0.00 0.00 175.02 172.76 1qtt s ALA 4 N 2.37 -1.65 -1.23 3.16 0.00 -1.26 -5.04 121.76 118.11 1qtt s ALA 4 Ca 0.08 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 1qtt s ALA 4 Cb -0.15 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 1qtt s ALA 4 CO -0.15 -0.66 2.48 0.41 0.00 0.00 0.00 175.76 177.83 1qtt n GLY 5 N -0.04 3.62 3.72 0.00 0.00 -1.26 -4.92 105.19 106.31 1qtt n GLY 5 Ca -0.17 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 2.91 1.74 0.15 1.61 -1.05 -1.26 -5.03 118.70 117.76 1qtt s GLU 6 Ca 0.53 1.52 0.06 0.00 -0.15 0.00 0.00 54.97 56.94 1qtt s GLU 6 Cb 0.14 -1.81 -0.04 0.00 -0.44 0.00 0.00 34.13 31.98 1qtt s GLU 6 CO -0.04 -2.09 0.01 0.16 0.95 0.00 0.00 175.26 174.25 1qtt s ASP 7 N -2.63 4.91 1.09 0.83 -4.77 -1.26 -4.74 116.67 110.10 1qtt s ASP 7 Ca 0.68 -0.31 -0.18 0.00 -3.30 0.00 0.00 52.55 49.44 1qtt s ASP 7 Cb -0.23 -1.10 0.09 0.00 -1.09 0.00 0.00 42.92 40.59 1qtt s ASP 7 CO 0.53 0.11 0.08 0.52 0.70 0.00 0.00 175.17 177.11 1qtt n VAL 8 N 0.05 0.00 -0.08 2.11 0.31 -1.26 -4.97 118.33 114.49 1qtt n VAL 8 Ca -0.10 -0.28 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 1qtt n VAL 8 Cb 0.54 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.92 -0.78 3.45 2.92 0.00 -1.26 -5.04 105.19 106.41 1qtt n GLY 9 Ca 0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.81 -1.36 1.00 4.61 0.00 -1.26 -5.17 121.76 116.76 1qtt s ALA 10 Ca -0.20 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1qtt s ALA 10 Cb 0.03 -0.91 0.19 0.00 0.00 0.00 0.00 23.12 22.42 1qtt s ALA 10 CO 0.29 -0.26 1.18 -1.25 0.00 0.00 0.00 175.76 175.72 1qtt s PRO 11 N 0.36 0.41 -0.78 0.00 0.04 -1.26 -4.93 135.00 128.84 1qtt s PRO 11 Ca -0.01 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.80 1qtt s PRO 11 Cb -0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1qtt s PRO 11 CO -0.00 -2.64 1.61 -1.25 0.04 0.00 0.00 177.00 174.76 1qtt s PRO 12 N -5.47 2.97 0.57 0.56 0.04 -1.26 -4.81 135.00 127.60 1qtt s PRO 12 Ca 0.68 -0.14 0.38 0.00 0.04 0.00 0.00 61.00 61.97 1qtt s PRO 12 Cb -0.11 -4.61 1.44 0.00 0.04 0.00 0.00 34.50 31.27 1qtt s PRO 12 CO 0.54 -2.56 1.60 0.22 0.04 0.00 0.00 177.00 176.84 1qtt h ASP 13 N 11.78 0.00 -4.94 6.66 -0.00 -1.96 -3.40 116.42 124.57 1qtt h ASP 13 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.81 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 -0.13 -1.38 -0.00 0.00 0.00 179.24 179.01 1qtt s HIS 14 N -4.74 -0.34 0.04 0.28 -3.43 -1.26 -0.51 115.29 105.32 1qtt s HIS 14 Ca -0.04 0.58 0.05 0.00 -0.80 0.00 0.00 55.06 54.84 1qtt s HIS 14 Cb 0.21 0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 1qtt s HIS 14 CO 0.72 -0.45 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.35 1qtt s LEU 15 N -1.21 2.17 -0.20 5.38 1.43 -1.18 -3.74 118.68 121.33 1qtt s LEU 15 Ca -0.12 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1qtt s LEU 15 Cb -0.04 -0.63 0.06 0.00 0.03 0.00 0.00 46.19 45.61 1qtt s LEU 15 CO 0.06 0.04 -0.01 0.26 0.23 0.00 0.00 176.35 176.93 1qtt s TRP 16 N -0.86 1.64 -0.10 0.29 0.51 0.22 -2.08 118.94 118.57 1qtt s TRP 16 Ca 0.02 -1.22 -0.30 0.00 -2.12 0.00 0.00 56.10 52.48 1qtt s TRP 16 Cb -0.08 -1.27 -0.03 0.00 -0.81 0.00 0.00 33.47 31.27 1qtt s TRP 16 CO 0.01 -0.67 1.40 0.54 -0.51 0.00 0.00 176.95 177.73 1qtt s VAL 17 N 1.65 3.97 -0.02 4.03 0.11 -0.99 0.19 120.40 129.34 1qtt s VAL 17 Ca -0.03 1.21 0.01 0.00 -2.93 0.00 0.00 61.98 60.24 1qtt s VAL 17 Cb -0.17 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.88 1qtt s VAL 17 CO -0.07 -0.08 -0.00 1.57 -3.33 0.00 0.00 175.10 173.18 1qtt n HIS 18 N 6.48 0.00 -4.46 1.54 -0.00 -1.24 -4.94 115.22 112.60 1qtt n HIS 18 Ca 0.15 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.10 1qtt n HIS 18 Cb 0.44 -0.08 -0.10 0.00 -0.12 0.00 0.00 29.99 30.13 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 -2.04 1.63 -0.26 1.57 -0.21 -1.26 -4.05 119.66 115.04 1qtt s GLN 19 Ca -0.01 -1.84 -0.29 0.00 0.02 0.00 0.00 55.36 53.24 1qtt s GLN 19 Cb 0.01 -1.27 -0.06 0.00 1.00 0.00 0.00 33.01 32.68 1qtt s GLN 19 CO 0.06 0.04 2.23 -1.91 -2.12 0.00 0.00 175.29 173.59 1qtt n GLU 20 N -0.65 1.75 -2.17 2.91 2.13 -1.26 -0.31 120.64 123.04 1qtt n GLU 20 Ca -0.05 0.46 -0.08 0.00 0.66 0.00 0.00 57.16 58.14 1qtt n GLU 20 Cb 0.64 -3.11 -0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 5.93 0.03 3.37 8.31 0.00 -1.26 -4.92 105.19 116.65 1qtt n GLY 21 Ca 0.33 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.42 1.83 -0.16 -0.61 1.09 0.57 0.23 121.20 121.73 1qtt s ILE 22 Ca 0.00 -2.23 -0.20 0.00 -1.10 0.00 0.00 60.65 57.12 1qtt s ILE 22 Cb -0.00 -2.13 0.05 0.00 -1.06 0.00 0.00 42.46 39.32 1qtt s ILE 22 CO 0.00 -0.53 0.54 -0.31 -0.10 0.00 0.00 174.94 174.55 1qtt s TYR 23 N -2.91 -0.56 -0.17 3.97 2.02 0.19 -3.60 117.35 116.29 1qtt s TYR 23 Ca 0.24 1.28 -0.10 0.00 -0.37 0.00 0.00 57.07 58.13 1qtt s TYR 23 Cb -0.01 0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 41.73 1qtt s TYR 23 CO 0.09 -0.35 0.17 0.50 -1.57 0.00 0.00 175.55 174.38 1qtt s ARG 24 N -0.13 4.02 0.88 -0.62 3.52 0.50 0.33 118.95 127.46 1qtt s ARG 24 Ca -0.03 -0.13 -0.10 0.00 -0.13 0.00 0.00 55.73 55.33 1qtt s ARG 24 Cb -0.03 -3.36 0.18 0.00 -1.56 0.00 0.00 34.95 30.17 1qtt s ARG 24 CO 0.03 0.41 1.21 0.34 -0.81 0.00 0.00 175.30 176.48 1qtt s ASP 25 N 0.02 3.48 -0.16 -2.12 3.68 0.42 -0.61 116.67 121.38 1qtt s ASP 25 Ca 0.11 -0.02 0.05 0.00 2.13 0.00 0.00 52.55 54.82 1qtt s ASP 25 Cb -0.12 -0.11 0.37 0.00 -1.45 0.00 0.00 42.92 41.61 1qtt s ASP 25 CO 0.01 -2.47 1.27 -1.84 0.13 0.00 0.00 175.17 172.27 1qtt n GLU 26 N -3.45 2.32 -2.69 4.34 0.28 -1.25 -3.93 120.64 116.26 1qtt n GLU 26 Ca 0.16 -1.52 -0.07 0.00 -0.16 0.00 0.00 57.16 55.57 1qtt n GLU 26 Cb 0.60 -1.74 0.10 0.00 1.43 0.00 0.00 31.44 31.83 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 0.02 -1.78 -4.10 -1.84 4.01 -1.26 -4.97 117.16 107.24 1qtt n TYR 27 Ca 0.21 -2.05 -0.33 0.00 -0.16 0.00 0.00 57.90 55.57 1qtt n TYR 27 Cb 0.89 1.25 -0.01 0.00 -0.31 0.00 0.00 39.34 41.15 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 -0.60 -3.66 -3.98 -0.72 10.64 -1.25 -4.93 117.38 112.89 1qtt n GLN 28 Ca -0.02 0.42 -0.34 0.00 -1.83 0.00 0.00 57.00 55.23 1qtt n GLN 28 Cb 0.85 -5.04 -0.14 0.00 -0.86 0.00 0.00 30.24 25.04 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 -6.78 2.41 0.25 2.61 6.06 -1.26 -4.94 118.95 117.31 1qtt s ARG 29 Ca 0.55 -1.26 -0.30 0.00 -2.50 0.00 0.00 55.73 52.23 1qtt s ARG 29 Cb -0.29 -3.04 -0.09 0.00 0.06 0.00 0.00 34.95 31.58 1qtt s ARG 29 CO 0.90 -0.57 0.97 0.95 -2.50 0.00 0.00 175.30 175.05 1qtt s THR 30 N 1.21 3.96 0.19 4.11 -4.23 -1.26 0.16 115.64 119.78 1qtt s THR 30 Ca -0.06 1.95 0.10 0.00 -1.18 0.00 0.00 61.69 62.51 1qtt s THR 30 Cb -0.19 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.37 1qtt s THR 30 CO -0.03 0.45 -0.20 0.26 -0.54 0.00 0.00 174.62 174.56 1qtt s TRP 31 N -1.20 2.05 -0.41 3.99 0.52 0.98 -2.43 118.94 122.43 1qtt s TRP 31 Ca 0.42 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 56.16 1qtt s TRP 31 Cb -0.27 -0.99 0.12 0.00 -1.15 0.00 0.00 33.47 31.18 1qtt s TRP 31 CO 0.33 0.45 0.15 0.08 0.02 0.00 0.00 176.95 177.99 1qtt s VAL 32 N -2.05 2.07 -0.60 4.03 1.01 0.80 0.55 120.40 126.21 1qtt s VAL 32 Ca 0.20 -2.58 -0.28 0.00 0.00 0.00 0.00 61.98 59.32 1qtt s VAL 32 Cb -0.06 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1qtt s VAL 32 CO 0.09 -0.72 1.23 0.00 0.00 0.00 0.00 175.10 175.70 1qtt s ALA 33 N 0.51 2.95 -0.83 5.51 0.00 0.61 -0.80 121.76 129.72 1qtt s ALA 33 Ca 0.14 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1qtt s ALA 33 Cb -0.22 -4.07 0.15 0.00 0.00 0.00 0.00 23.12 18.98 1qtt s ALA 33 CO -0.06 -2.76 0.94 0.08 0.00 0.00 0.00 175.76 173.95 1qtt s VAL 34 N 5.17 5.01 -0.18 0.00 1.01 0.53 -4.29 120.40 127.66 1qtt s VAL 34 Ca 0.43 -1.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.41 1qtt s VAL 34 Cb -0.08 -4.63 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1qtt s VAL 34 CO 0.24 -1.29 2.18 0.54 0.00 0.00 0.00 175.10 176.77 1qtt s VAL 35 N 1.93 3.01 -0.30 2.92 0.11 -1.26 -2.24 120.40 124.58 1qtt s VAL 35 Ca 0.24 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1qtt s VAL 35 Cb -0.10 -3.01 0.10 0.00 -1.53 0.00 0.00 36.38 31.83 1qtt s VAL 35 CO -0.06 -0.01 0.10 -0.70 -3.33 0.00 0.00 175.10 171.10 1qtt s GLU 36 N 6.03 0.60 0.46 1.54 2.56 0.19 -4.99 118.70 125.09 1qtt s GLU 36 Ca 0.98 -0.93 -0.23 0.00 0.00 0.00 0.00 54.97 54.79 1qtt s GLU 36 Cb -0.35 -1.83 -0.07 0.00 2.00 0.00 0.00 34.13 33.88 1qtt s GLU 36 CO 0.36 -0.97 1.20 -2.00 -0.56 0.00 0.00 175.26 173.28 1qtt s GLU 37 N 1.73 3.74 -0.24 4.30 2.12 -1.26 -3.12 118.70 125.96 1qtt s GLU 37 Ca 0.09 1.86 -0.32 0.00 0.36 0.00 0.00 54.97 56.96 1qtt s GLU 37 Cb -0.17 -2.45 0.17 0.00 0.26 0.00 0.00 34.13 31.94 1qtt s GLU 37 CO -0.27 -0.59 1.27 -1.83 -0.54 0.00 0.00 175.26 173.31 1qtt s GLU 38 N -2.64 0.20 -1.43 4.30 -1.05 -0.89 -4.93 118.70 112.26 1qtt s GLU 38 Ca 0.63 0.00 -0.10 0.00 -0.15 0.00 0.00 54.97 55.36 1qtt s GLU 38 Cb -0.31 0.09 0.06 0.00 -0.44 0.00 0.00 34.13 33.53 1qtt s GLU 38 CO 0.38 -0.07 0.67 2.41 0.95 0.00 0.00 175.26 179.60 1qtt n THR 39 N 0.37 -1.57 -3.64 1.83 -1.04 -1.26 -0.24 114.28 108.73 1qtt n THR 39 Ca -0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 1qtt n THR 39 Cb 0.58 -2.56 0.04 0.00 -1.82 0.00 0.00 70.33 66.58 1qtt n THR 39 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1qtt n SER 40 N -2.52 -5.37 -3.80 8.00 3.41 -1.26 -4.96 113.62 107.12 1qtt n SER 40 Ca -0.02 -0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.83 1qtt n SER 40 Cb 0.56 -4.29 -0.09 0.00 -0.26 0.00 0.00 64.21 60.13 1qtt n SER 40 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1qtt s PHE 41 N -3.25 1.47 -0.36 7.33 0.08 0.67 -5.01 117.98 118.91 1qtt s PHE 41 Ca 0.57 -1.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 1qtt s PHE 41 Cb -0.27 -0.66 0.09 0.00 -0.57 0.00 0.00 43.02 41.61 1qtt s PHE 41 CO 0.70 -0.73 0.11 -0.51 -0.10 0.00 0.00 175.22 174.69 1qtt s LEU 42 N -3.28 4.74 -0.29 -0.37 2.01 -1.22 -2.10 118.68 118.17 1qtt s LEU 42 Ca 0.39 -1.85 -0.09 0.00 0.01 0.00 0.00 54.13 52.60 1qtt s LEU 42 Cb 0.05 -1.75 -0.02 0.00 0.01 0.00 0.00 46.19 44.48 1qtt s LEU 42 CO 0.20 -0.42 0.13 -0.60 1.01 0.00 0.00 176.35 176.66 1qtt s ARG 43 N 1.11 3.53 -0.69 1.70 3.52 -1.18 -0.15 118.95 126.79 1qtt s ARG 43 Ca 0.05 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 1qtt s ARG 43 Cb -0.21 -3.50 0.18 0.00 -1.56 0.00 0.00 34.95 29.86 1qtt s ARG 43 CO -0.04 -0.31 0.55 0.00 -0.81 0.00 0.00 175.30 174.69 1qtt s ALA 44 N 1.64 3.75 -0.39 6.12 0.00 0.33 0.56 121.76 133.76 1qtt s ALA 44 Ca 0.06 -3.28 -0.28 0.00 0.00 0.00 0.00 51.96 48.46 1qtt s ALA 44 Cb -0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1qtt s ALA 44 CO 0.06 -2.16 1.83 0.50 0.00 0.00 0.00 175.76 175.99 1qtt s ARG 45 N 0.02 3.15 -0.41 0.00 3.52 -0.95 -2.15 118.95 122.14 1qtt s ARG 45 Ca 0.17 1.26 -0.18 0.00 -0.13 0.00 0.00 55.73 56.85 1qtt s ARG 45 Cb -0.17 -4.25 0.01 0.00 -1.56 0.00 0.00 34.95 28.99 1qtt s ARG 45 CO -0.05 -2.08 0.49 0.08 -0.81 0.00 0.00 175.30 172.93 1qtt s VAL 46 N 7.51 5.02 -0.13 7.11 1.01 0.74 0.20 120.40 141.87 1qtt s VAL 46 Ca 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1qtt s VAL 46 Cb -0.20 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1qtt s VAL 46 CO 0.31 -0.40 -0.13 -1.58 0.00 0.00 0.00 175.10 173.29 1qtt s GLN 47 N 2.33 3.35 -0.15 2.72 0.74 0.02 0.23 119.66 128.91 1qtt s GLN 47 Ca 0.16 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.65 1qtt s GLN 47 Cb -0.16 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.31 1qtt s GLN 47 CO 0.15 0.23 0.67 -1.14 -0.55 0.00 0.00 175.29 174.65 1qtt s GLN 48 N 0.31 4.30 0.12 1.67 -0.44 -0.84 0.28 119.66 125.07 1qtt s GLN 48 Ca -0.11 0.75 -0.10 0.00 -2.50 0.00 0.00 55.36 53.40 1qtt s GLN 48 Cb -0.16 -3.53 0.00 0.00 -1.64 0.00 0.00 33.01 27.69 1qtt s GLN 48 CO 0.06 -0.14 0.27 0.96 0.50 0.00 0.00 175.29 176.94 1qtt s ILE 49 N 1.54 0.10 -0.47 -2.34 -0.00 -1.02 -4.44 121.20 114.57 1qtt s ILE 49 Ca 0.33 -1.12 -0.28 0.00 -0.00 0.00 0.00 60.65 59.58 1qtt s ILE 49 Cb -0.16 -1.48 0.03 0.00 -0.00 0.00 0.00 42.46 40.85 1qtt s ILE 49 CO 0.13 -0.46 1.09 -1.10 -0.00 0.00 0.00 174.94 174.60 1qtt s GLN 50 N -3.88 3.69 -0.23 0.37 1.11 -1.26 -4.36 119.66 115.10 1qtt s GLN 50 Ca 0.09 0.49 -0.15 0.00 0.01 0.00 0.00 55.36 55.80 1qtt s GLN 50 Cb 0.04 -3.91 0.07 0.00 -1.01 0.00 0.00 33.01 28.20 1qtt s GLN 50 CO -0.07 -1.33 0.58 0.14 0.01 0.00 0.00 175.29 174.61 1qtt s VAL 51 N 4.28 -0.01 0.38 1.09 -7.23 -1.26 -5.14 120.40 112.51 1qtt s VAL 51 Ca 0.45 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 60.41 1qtt s VAL 51 Cb -0.08 -0.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 1qtt s VAL 51 CO 0.30 0.01 1.06 -2.16 -0.31 0.00 0.00 175.10 174.00 1qtt s PRO 52 N 1.30 4.22 -0.16 4.82 0.04 -1.26 -4.83 135.00 139.12 1qtt s PRO 52 Ca -0.08 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1qtt s PRO 52 Cb -0.06 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1qtt s PRO 52 CO -0.13 -0.10 1.59 -0.51 0.04 0.00 0.00 177.00 177.88 1qtt s LEU 53 N -2.49 4.06 -0.17 -3.56 2.01 -1.26 -4.97 118.68 112.31 1qtt s LEU 53 Ca 0.56 1.83 -0.02 0.00 0.01 0.00 0.00 54.13 56.51 1qtt s LEU 53 Cb -0.23 -3.53 0.05 0.00 0.01 0.00 0.00 46.19 42.48 1qtt s LEU 53 CO 0.30 -1.10 -0.01 -0.83 1.01 0.00 0.00 176.35 175.72 1qtt s GLY 54 N 3.70 0.80 0.00 -3.19 0.00 -1.26 -5.04 107.32 102.32 1qtt s GLY 54 Ca 0.70 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1qtt s GLY 54 CO 0.27 1.18 0.00 1.22 0.00 0.00 0.00 173.10 175.77 1qtt n ASP 55 N 4.98 -1.27 -2.67 1.64 9.92 -1.26 -4.86 116.55 123.01 1qtt n ASP 55 Ca -0.10 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.03 1qtt n ASP 55 Cb 0.47 1.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.97 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 -0.86 3.61 -1.35 2.24 0.00 -1.26 -4.39 120.51 118.50 1qtt n ALA 56 Ca 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1qtt n ALA 56 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.13 0.00 0.00 -1.26 -5.04 120.51 110.97 1qtt n ALA 57 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1qtt n ALA 57 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 0.07 0.00 1.74 -1.26 -4.93 116.66 113.83 1qtt n ARG 58 Ca 0.00 -3.77 -0.04 0.00 -0.77 0.00 0.00 57.85 53.27 1qtt n ARG 58 Cb 0.00 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 29.60 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 3.09 -0.22 -0.45 5.56 0.13 -1.95 -2.79 132.00 135.36 1qtt h PRO 59 Ca 0.11 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1qtt h PRO 59 Cb 0.84 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1qtt h PRO 59 CO 0.59 -0.15 0.00 0.45 -0.23 0.00 0.00 178.00 178.66 1qtt n SER 60 N -4.01 1.40 -0.08 1.44 2.88 -1.26 -0.01 113.62 113.98 1qtt n SER 60 Ca -0.03 -2.08 -0.08 0.00 -1.33 0.00 0.00 58.87 55.35 1qtt n SER 60 Cb 0.09 -0.28 -0.12 0.00 -0.75 0.00 0.00 64.21 63.15 1qtt n SER 60 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1qtt n HIS 61 N 0.07 0.00 -0.03 0.66 8.25 -1.24 -3.84 115.22 119.09 1qtt n HIS 61 Ca 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1qtt n HIS 61 Cb 0.27 -0.76 -0.04 0.00 1.12 0.00 0.00 29.99 30.59 1qtt n HIS 61 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qtt n LEU 62 N -2.58 0.86 -0.03 2.41 7.99 -1.05 -3.89 117.00 120.71 1qtt n LEU 62 Ca -0.25 -0.01 -0.13 0.00 -0.01 0.00 0.00 56.01 55.60 1qtt n LEU 62 Cb 1.00 0.03 -0.10 0.00 -0.11 0.00 0.00 43.42 44.23 1qtt n LEU 62 CO 0.32 0.28 0.57 0.25 -1.51 0.00 0.00 177.39 177.30 1qtt h LEU 63 N 0.00 0.06 0.05 2.23 6.46 -0.60 -3.38 115.31 120.12 1qtt h LEU 63 Ca -0.15 -0.60 -0.00 0.00 -0.12 0.00 0.00 57.88 57.01 1qtt h LEU 63 Cb 1.31 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1qtt h LEU 63 CO -0.00 0.65 -0.02 0.74 -0.62 0.00 0.00 178.44 179.18 1qtt h THR 64 N -0.53 0.00 -2.68 1.05 2.02 -1.70 -3.49 112.91 107.58 1qtt h THR 64 Ca -0.00 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.58 1qtt h THR 64 Cb 0.64 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1qtt h THR 64 CO 0.01 0.00 -0.30 -1.54 0.37 0.00 0.00 175.52 174.06 1qtt n SER 65 N -3.30 -3.84 0.04 4.18 3.41 -1.25 -4.91 113.62 107.94 1qtt n SER 65 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1qtt n SER 65 Cb 0.02 -2.64 0.00 0.00 -0.26 0.00 0.00 64.21 61.34 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 -2.42 0.00 -2.07 4.33 1.13 -1.26 -5.07 117.38 112.03 1qtt n GLN 66 Ca -0.04 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.62 1qtt n GLN 66 Cb 0.55 -0.13 -0.02 0.00 0.11 0.00 0.00 30.24 30.75 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 -5.95 4.39 0.96 1.08 1.02 -1.26 -5.00 118.68 113.91 1qtt s LEU 67 Ca 0.00 2.73 -0.14 0.00 0.02 0.00 0.00 54.13 56.74 1qtt s LEU 67 Cb 0.00 -3.68 0.17 0.00 0.02 0.00 0.00 46.19 42.70 1qtt s LEU 67 CO 0.00 -0.62 1.16 -2.16 0.02 0.00 0.00 176.35 174.75 1qtt s PRO 68 N -1.89 0.69 0.38 1.29 0.04 -1.26 -4.91 135.00 129.35 1qtt s PRO 68 Ca 0.50 0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.88 1qtt s PRO 68 Cb -0.40 -1.80 0.33 0.00 0.04 0.00 0.00 34.50 32.67 1qtt s PRO 68 CO 0.54 -2.47 1.58 1.25 0.04 0.00 0.00 177.00 177.94 1qtt h LEU 69 N -1.69 0.00 -7.14 -3.56 7.12 -1.94 -3.44 115.31 104.66 1qtt h LEU 69 Ca -0.49 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.45 1qtt h LEU 69 Cb 1.31 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.22 1qtt h LEU 69 CO 0.54 0.22 -0.01 -0.32 -0.13 0.00 0.00 178.44 178.74 1qtt s MET 70 N -3.17 0.74 0.24 1.25 1.75 -1.26 -2.34 119.30 116.50 1qtt s MET 70 Ca 0.05 0.68 0.07 0.00 -1.25 0.00 0.00 55.69 55.25 1qtt s MET 70 Cb 0.07 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 38.05 1qtt s MET 70 CO 0.69 -0.12 0.12 -1.58 -0.65 0.00 0.00 175.02 173.48 1qtt s TRP 71 N 0.02 2.98 -0.27 4.11 0.51 -0.88 -3.56 118.94 121.85 1qtt s TRP 71 Ca -0.02 -0.13 -0.04 0.00 -2.12 0.00 0.00 56.10 53.79 1qtt s TRP 71 Cb -0.04 -1.36 0.10 0.00 -0.81 0.00 0.00 33.47 31.36 1qtt s TRP 71 CO 0.02 0.55 0.14 -1.14 -0.51 0.00 0.00 176.95 176.01 1qtt s GLN 72 N -3.61 0.18 -0.16 4.98 2.00 -0.01 -3.11 119.66 119.92 1qtt s GLN 72 Ca 0.32 -0.42 -0.37 0.00 -2.00 0.00 0.00 55.36 52.89 1qtt s GLN 72 Cb -0.08 -1.22 -0.14 0.00 0.80 0.00 0.00 33.01 32.37 1qtt s GLN 72 CO 0.23 -0.96 1.76 -0.11 -0.50 0.00 0.00 175.29 175.70 1qtt n LEU 73 N 5.26 2.77 0.00 3.68 7.94 0.33 -0.13 117.00 136.85 1qtt n LEU 73 Ca -0.06 1.04 -0.19 0.00 -1.11 0.00 0.00 56.01 55.69 1qtt n LEU 73 Cb 0.44 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1qtt n LEU 73 CO 0.05 -0.33 0.07 -1.22 -1.11 0.00 0.00 177.39 174.85 1qtt n TYR 74 N 5.54 -0.96 -1.34 1.96 4.02 -0.18 -4.83 117.16 121.37 1qtt n TYR 74 Ca 0.24 -1.71 -0.23 0.00 -0.01 0.00 0.00 57.90 56.19 1qtt n TYR 74 Cb 0.20 -0.34 0.18 0.00 -0.02 0.00 0.00 39.34 39.37 1qtt n TYR 74 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qtt n PRO 75 N -1.49 -1.85 0.00 -0.72 -0.04 -1.26 -4.29 135.00 125.35 1qtt n PRO 75 Ca -0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1qtt n PRO 75 Cb 0.46 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1qtt n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qtt n GLU 76 N -3.67 0.00 0.00 0.54 4.71 -1.26 -3.21 120.64 117.75 1qtt n GLU 76 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1qtt n GLU 76 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.89 1qtt n GLU 76 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1qtt n GLU 77 N 0.00 0.00 -3.86 3.49 0.28 -1.26 -5.17 120.64 114.12 1qtt n GLU 77 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1qtt n GLU 77 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1qtt s ARG 78 N 0.00 0.94 -0.19 3.44 0.52 -1.20 -3.06 118.95 119.40 1qtt s ARG 78 Ca 0.00 -0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1qtt s ARG 78 Cb 0.00 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 1qtt s ARG 78 CO 0.00 -0.32 0.01 0.71 0.02 0.00 0.00 175.30 175.72 1qtt s TYR 79 N -3.88 3.06 -0.34 -0.53 1.51 0.27 -1.01 117.35 116.44 1qtt s TYR 79 Ca 0.08 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 1qtt s TYR 79 Cb 0.04 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1qtt s TYR 79 CO -0.09 -0.17 0.23 1.41 -1.11 0.00 0.00 175.55 175.83 1qtt s MET 80 N 0.86 3.46 0.45 -0.62 -2.45 0.82 0.75 119.30 122.58 1qtt s MET 80 Ca 0.01 -0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 53.72 1qtt s MET 80 Cb -0.14 -3.78 0.10 0.00 1.25 0.00 0.00 34.83 32.26 1qtt s MET 80 CO 0.02 -0.45 0.62 -0.40 1.05 0.00 0.00 175.02 175.86 1qtt n ASP 81 N 5.09 0.19 -0.40 1.11 5.68 -0.32 -0.83 116.55 127.06 1qtt n ASP 81 Ca -0.13 -1.31 0.07 0.00 -0.50 0.00 0.00 54.79 52.92 1qtt n ASP 81 Cb 0.50 -0.46 0.02 0.00 -1.14 0.00 0.00 41.12 40.04 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 -3.32 1.72 -0.00 -1.12 2.85 -1.23 -4.26 115.26 109.90 1qtt n ASN 82 Ca 0.08 -1.36 0.15 0.00 -0.11 0.00 0.00 54.58 53.35 1qtt n ASN 82 Cb 0.28 0.31 0.85 0.00 1.24 0.00 0.00 39.78 42.46 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1qtt n ASN 83 N 0.17 0.01 -0.27 1.20 5.15 -1.26 -4.86 115.26 115.40 1qtt n ASN 83 Ca 0.07 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1qtt n ASN 83 Cb 0.31 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 -1.14 -1.13 -3.93 1.20 2.88 -1.26 -5.09 113.62 105.14 1qtt n SER 84 Ca 0.19 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 1qtt n SER 84 Cb 0.18 -0.29 -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 -2.91 0.46 -0.22 -1.46 0.52 -1.26 -5.04 118.95 109.04 1qtt s ARG 85 Ca 0.00 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1qtt s ARG 85 Cb 0.00 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.69 1qtt s ARG 85 CO 0.00 -0.10 -0.15 -1.17 0.02 0.00 0.00 175.30 173.90 1qtt s LEU 86 N -1.70 2.80 0.02 2.53 0.20 -1.26 -1.18 118.68 120.09 1qtt s LEU 86 Ca -0.11 -1.01 -0.18 0.00 0.69 0.00 0.00 54.13 53.51 1qtt s LEU 86 Cb -0.06 -1.52 -0.06 0.00 -0.43 0.00 0.00 46.19 44.12 1qtt s LEU 86 CO -0.02 -0.09 0.52 0.26 -0.29 0.00 0.00 176.35 176.73 1qtt s TRP 87 N 1.20 3.73 -0.28 5.38 0.52 0.23 -4.12 118.94 125.60 1qtt s TRP 87 Ca -0.02 1.14 -0.17 0.00 0.02 0.00 0.00 56.10 57.08 1qtt s TRP 87 Cb -0.16 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1qtt s TRP 87 CO -0.09 0.51 0.45 -1.14 0.02 0.00 0.00 176.95 176.71 1qtt s GLN 88 N -0.74 3.94 -0.82 4.98 0.74 0.68 0.97 119.66 129.41 1qtt s GLN 88 Ca 0.28 0.09 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 1qtt s GLN 88 Cb -0.18 -3.69 -0.17 0.00 1.10 0.00 0.00 33.01 30.07 1qtt s GLN 88 CO 0.16 -0.38 2.37 -0.89 -0.55 0.00 0.00 175.29 176.00 1qtt n ILE 89 N 5.19 0.00 -0.23 -2.34 2.08 -1.17 -0.31 119.36 122.58 1qtt n ILE 89 Ca -0.06 -0.48 0.04 0.00 0.56 0.00 0.00 62.75 62.80 1qtt n ILE 89 Cb 0.50 -1.73 0.15 0.00 -0.75 0.00 0.00 39.64 37.80 1qtt n ILE 89 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1qtt h GLN 90 N 12.43 0.18 -1.34 0.38 -0.00 0.18 -3.44 115.11 123.50 1qtt h GLN 90 Ca 0.01 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.77 1qtt h GLN 90 Cb 1.02 -0.04 -0.30 0.00 0.00 0.00 0.00 27.48 28.16 1qtt h GLN 90 CO 1.08 0.12 0.66 -3.38 0.00 0.00 0.00 178.83 177.31 1qtt s HIS 91 N -6.09 -0.27 -0.16 3.99 -3.43 -1.16 -4.95 115.29 103.21 1qtt s HIS 91 Ca -0.13 0.66 -0.03 0.00 -0.80 0.00 0.00 55.06 54.76 1qtt s HIS 91 Cb 0.20 0.41 0.05 0.00 -1.43 0.00 0.00 32.58 31.82 1qtt s HIS 91 CO 0.75 -0.13 0.04 -1.58 -2.00 0.00 0.00 174.74 171.81 1qtt s HIS 92 N 0.17 0.82 0.09 0.38 2.46 -1.26 0.74 115.29 118.69 1qtt s HIS 92 Ca 0.05 -0.62 -0.02 0.00 0.47 0.00 0.00 55.06 54.94 1qtt s HIS 92 Cb -0.05 -0.92 0.01 0.00 -0.13 0.00 0.00 32.58 31.48 1qtt s HIS 92 CO -0.11 -0.53 0.16 1.47 -2.47 0.00 0.00 174.74 173.26 1qtt n LEU 93 N 5.11 0.00 -4.39 8.88 -0.00 -1.07 -4.92 117.00 120.60 1qtt n LEU 93 Ca -0.08 -0.68 -0.35 0.00 -0.00 0.00 0.00 56.01 54.90 1qtt n LEU 93 Cb 0.48 0.79 -0.13 0.00 -0.00 0.00 0.00 43.42 44.56 1qtt n LEU 93 CO 0.12 -0.19 -0.37 -0.32 -0.00 0.00 0.00 177.39 176.64 1qtt s MET 94 N -2.12 3.51 -0.08 1.47 -2.45 -1.26 -0.56 119.30 117.81 1qtt s MET 94 Ca 0.06 -0.58 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1qtt s MET 94 Cb -0.01 -2.98 0.01 0.00 1.25 0.00 0.00 34.83 33.10 1qtt s MET 94 CO 0.04 -0.02 -0.16 0.08 1.05 0.00 0.00 175.02 176.01 1qtt s VAL 95 N 1.03 1.46 -1.42 10.11 1.01 -0.24 -4.72 120.40 127.63 1qtt s VAL 95 Ca 0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1qtt s VAL 95 Cb -0.15 -1.31 0.11 0.00 0.00 0.00 0.00 36.38 35.03 1qtt s VAL 95 CO 0.01 0.43 0.62 0.54 0.00 0.00 0.00 175.10 176.69 1qtt n ARG 96 N 3.76 -3.39 -1.76 2.72 5.12 -1.26 0.19 116.66 122.04 1qtt n ARG 96 Ca -0.21 0.42 -0.12 0.00 -1.93 0.00 0.00 57.85 56.01 1qtt n ARG 96 Cb 0.52 -5.15 -0.03 0.00 -1.16 0.00 0.00 32.46 26.64 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 -1.26 0.65 2.76 -0.13 0.00 -1.26 -4.98 105.19 100.96 1qtt n GLY 97 Ca 0.03 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.53 0.68 -0.16 1.61 1.01 0.49 -5.07 120.40 116.43 1qtt s VAL 98 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1qtt s VAL 98 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1qtt s VAL 98 CO 0.00 -0.25 2.10 0.00 0.00 0.00 0.00 175.10 176.95 1qtt s GLN 99 N 1.78 3.43 -0.28 2.72 -2.07 -1.26 -1.08 119.66 122.90 1qtt s GLN 99 Ca -0.00 2.12 -0.08 0.00 -1.82 0.00 0.00 55.36 55.57 1qtt s GLN 99 Cb -0.17 -4.29 -0.01 0.00 -1.09 0.00 0.00 33.01 27.44 1qtt s GLN 99 CO -0.10 -1.76 0.10 -2.00 -1.32 0.00 0.00 175.29 170.21 1qtt s GLU 100 N 5.75 3.45 -0.22 9.60 2.12 0.28 -1.99 118.70 137.69 1qtt s GLU 100 Ca 0.95 -0.62 -0.06 0.00 0.36 0.00 0.00 54.97 55.59 1qtt s GLU 100 Cb -0.34 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1qtt s GLU 100 CO 0.36 -0.31 0.03 -1.17 -0.54 0.00 0.00 175.26 173.64 1qtt s LEU 101 N 1.60 3.36 -0.26 2.70 0.20 0.64 -2.60 118.68 124.32 1qtt s LEU 101 Ca 0.05 -0.19 -0.11 0.00 0.69 0.00 0.00 54.13 54.57 1qtt s LEU 101 Cb -0.16 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1qtt s LEU 101 CO 0.04 0.03 0.19 -0.76 -0.29 0.00 0.00 176.35 175.56 1qtt s LEU 102 N 1.22 4.07 -0.14 -0.68 1.43 0.23 0.26 118.68 125.08 1qtt s LEU 102 Ca 0.04 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1qtt s LEU 102 Cb -0.15 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1qtt s LEU 102 CO 0.02 -0.00 -0.09 -0.76 0.23 0.00 0.00 176.35 175.75 1qtt s LEU 103 N 1.43 2.96 -0.18 1.79 1.43 -0.91 0.19 118.68 125.38 1qtt s LEU 103 Ca 0.08 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1qtt s LEU 103 Cb -0.15 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1qtt s LEU 103 CO 0.08 0.18 -0.19 -0.75 0.23 0.00 0.00 176.35 175.90 1qtt s LYS 104 N 0.30 2.87 -0.29 1.70 2.47 0.58 0.12 119.74 127.50 1qtt s LYS 104 Ca -0.07 -0.85 -0.15 0.00 -1.56 0.00 0.00 55.97 53.33 1qtt s LYS 104 Cb -0.15 -2.56 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 1qtt s LYS 104 CO 0.04 -0.24 0.39 -1.17 0.16 0.00 0.00 175.35 174.53 1qtt s LEU 105 N 1.29 4.12 0.26 5.43 2.96 0.79 0.25 118.68 133.78 1qtt s LEU 105 Ca 0.04 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1qtt s LEU 105 Cb -0.14 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1qtt s LEU 105 CO -0.12 -0.24 0.41 -1.48 -1.32 0.00 0.00 176.35 173.60 1qtt s LEU 106 N 2.10 4.24 -0.09 -0.68 2.34 -1.26 -3.42 118.68 121.93 1qtt s LEU 106 Ca 0.15 0.17 -0.30 0.00 0.06 0.00 0.00 54.13 54.22 1qtt s LEU 106 Cb -0.16 -2.98 -0.03 0.00 -0.56 0.00 0.00 46.19 42.46 1qtt s LEU 106 CO 0.10 -0.12 1.24 -2.16 -1.06 0.00 0.00 176.35 174.35 1qtt s PRO 107 N -4.04 4.31 -0.51 1.48 0.04 -1.26 -4.85 135.00 130.17 1qtt s PRO 107 Ca 0.36 1.70 -0.44 0.00 0.04 0.00 0.00 61.00 62.66 1qtt s PRO 107 Cb -0.09 -3.63 -0.19 0.00 0.04 0.00 0.00 34.50 30.63 1qtt s PRO 107 CO 0.31 -0.54 2.15 -3.47 0.04 0.00 0.00 177.00 175.49 1qtt n ASP 108 N 5.67 0.76 -4.76 6.66 -0.08 -1.26 -4.84 116.55 118.69 1qtt n ASP 108 Ca 0.12 0.66 -0.40 0.00 -1.51 0.00 0.00 54.79 53.67 1qtt n ASP 108 Cb 0.46 -0.91 -0.06 0.00 2.34 0.00 0.00 41.12 42.95 1qtt n ASP 108 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1qtt s ASP 109 N 6.09 7.54 0.09 1.67 1.11 -1.26 -5.06 116.67 126.85 1qtt s ASP 109 Ca 1.20 1.82 0.05 0.00 0.18 0.00 0.00 52.55 55.80 1qtt s ASP 109 Cb -1.49 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 39.91 1qtt s ASP 109 CO 0.65 0.15 -0.13 0.00 1.18 0.00 0.00 175.17 177.02 1qtt s ARG 110 N -1.03 0.88 0.26 8.23 1.70 -1.26 -5.05 118.95 122.67 1qtt s ARG 110 Ca 0.40 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 1qtt s ARG 110 Cb -0.25 -0.79 0.00 0.00 -0.57 0.00 0.00 34.95 33.35 1qtt s ARG 110 CO 0.30 0.16 0.00 0.45 -1.08 0.00 0.00 175.30 175.12 1qtt n SER 111 N 0.94 -7.76 -4.63 -2.89 2.88 -1.26 -4.82 113.62 96.07 1qtt n SER 111 Ca -0.19 1.07 -0.43 0.00 -1.33 0.00 0.00 58.87 57.99 1qtt n SER 111 Cb 0.56 -3.89 -0.02 0.00 -0.75 0.00 0.00 64.21 60.10 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 -2.12 3.94 0.24 -1.46 0.04 -1.26 -4.75 135.00 129.63 1qtt s PRO 112 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1qtt s PRO 112 Cb 0.00 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1qtt s PRO 112 CO 0.00 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1qtt n GLY 113 N 4.27 -0.29 3.55 0.56 0.00 -1.26 -5.08 105.19 106.94 1qtt n GLY 113 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1qtt n GLY 113 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qtt n ILE 114 N -3.36 -3.36 -2.38 -0.61 0.13 -1.26 -4.75 119.36 103.77 1qtt n ILE 114 Ca 0.00 0.03 -0.42 0.00 -1.10 0.00 0.00 62.75 61.26 1qtt n ILE 114 Cb 0.00 -3.04 -0.02 0.00 -0.84 0.00 0.00 39.64 35.74 1qtt n ILE 114 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 1qtt s HIS 115 N -2.09 2.34 0.62 9.51 5.65 -1.26 -4.98 115.29 125.09 1qtt s HIS 115 Ca 0.20 0.57 -0.18 0.00 0.25 0.00 0.00 55.06 55.91 1qtt s HIS 115 Cb -0.02 -4.36 -0.02 0.00 -1.18 0.00 0.00 32.58 27.00 1qtt s HIS 115 CO 0.84 -1.95 1.20 -0.98 -0.65 0.00 0.00 174.74 173.20 1qtt s ARG 116 N 5.25 2.81 0.00 2.88 1.70 -1.26 -5.35 118.95 124.98 1qtt s ARG 116 Ca 0.56 1.78 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 1qtt s ARG 116 Cb -0.12 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 32.35 1qtt s ARG 116 CO 0.28 -1.32 0.05 -3.47 -1.08 0.00 0.00 175.30 169.77