#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 0.60 -1.31 1.61 7.64 -1.26 -5.15 113.62 115.74 1qtt n SER 2 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1qtt n SER 2 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1qtt n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1qtt n MET 3 N -3.39 -3.73 -3.47 1.43 0.00 -1.26 -5.09 117.12 101.63 1qtt n MET 3 Ca 0.00 2.73 -0.15 0.00 0.00 0.00 0.00 57.70 60.29 1qtt n MET 3 Cb 0.06 -3.04 -0.04 0.00 0.00 0.00 0.00 33.22 30.20 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 -2.44 -1.68 0.28 3.04 0.00 -1.26 -5.18 121.76 114.52 1qtt s ALA 4 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1qtt s ALA 4 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1qtt s ALA 4 CO 0.00 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1qtt n GLY 5 N 0.19 1.54 3.63 0.00 0.00 -1.26 -5.15 105.19 104.13 1qtt n GLY 5 Ca -0.18 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 2.68 0.24 0.01 1.61 2.56 -1.26 -5.18 118.70 119.35 1qtt s GLU 6 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 54.97 54.92 1qtt s GLU 6 Cb 0.00 0.11 0.03 0.00 2.00 0.00 0.00 34.13 36.27 1qtt s GLU 6 CO 0.00 -0.06 0.35 -0.51 -0.56 0.00 0.00 175.26 174.48 1qtt s ASP 7 N -0.72 -0.22 1.22 -1.70 1.01 -1.26 -5.01 116.67 109.99 1qtt s ASP 7 Ca 0.05 0.05 -0.16 0.00 0.71 0.00 0.00 52.55 53.21 1qtt s ASP 7 Cb -0.02 0.36 0.30 0.00 1.01 0.00 0.00 42.92 44.56 1qtt s ASP 7 CO -0.07 -0.53 1.01 -0.69 0.21 0.00 0.00 175.17 175.11 1qtt s VAL 8 N -1.78 1.79 -0.16 -1.27 1.01 -1.26 -5.02 120.40 113.72 1qtt s VAL 8 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1qtt s VAL 8 Cb -0.03 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1qtt s VAL 8 CO 0.02 0.00 -0.31 0.61 0.00 0.00 0.00 175.10 175.42 1qtt n GLY 9 N 0.60 -0.47 3.63 4.51 0.00 -1.26 -5.07 105.19 107.13 1qtt n GLY 9 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.77 -1.79 1.00 4.61 0.00 -1.26 -5.18 121.76 116.38 1qtt s ALA 10 Ca -0.26 2.05 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 1qtt s ALA 10 Cb 0.04 -1.20 0.20 0.00 0.00 0.00 0.00 23.12 22.16 1qtt s ALA 10 CO 0.38 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 175.73 1qtt s PRO 11 N 0.44 0.36 -0.88 0.00 0.04 -1.26 -4.92 135.00 128.79 1qtt s PRO 11 Ca -0.00 -0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.78 1qtt s PRO 11 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qtt s PRO 11 CO -0.00 -2.67 1.65 -1.25 0.04 0.00 0.00 177.00 174.77 1qtt s PRO 12 N -5.49 3.04 0.57 0.56 0.04 -1.26 -4.80 135.00 127.65 1qtt s PRO 12 Ca 0.69 -0.45 0.44 0.00 0.04 0.00 0.00 61.00 61.72 1qtt s PRO 12 Cb -0.10 -4.93 1.54 0.00 0.04 0.00 0.00 34.50 31.05 1qtt s PRO 12 CO 0.54 -2.67 1.55 0.22 0.04 0.00 0.00 177.00 176.68 1qtt h ASP 13 N 11.10 0.00 -5.00 6.66 3.58 -1.95 -3.39 116.42 127.42 1qtt h ASP 13 Ca 0.02 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1qtt h ASP 13 Cb 1.04 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.90 1qtt h ASP 13 CO 1.30 0.00 -0.12 -1.38 -2.88 0.00 0.00 179.24 176.16 1qtt s HIS 14 N -4.77 -0.32 0.04 0.28 -3.43 -1.26 0.42 115.29 106.25 1qtt s HIS 14 Ca -0.04 0.46 0.05 0.00 -0.80 0.00 0.00 55.06 54.72 1qtt s HIS 14 Cb 0.23 0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 31.57 1qtt s HIS 14 CO 0.79 -0.49 -0.14 -0.51 -2.00 0.00 0.00 174.74 172.39 1qtt s LEU 15 N -1.48 2.18 -0.19 5.38 1.43 -1.08 -3.76 118.68 121.16 1qtt s LEU 15 Ca -0.11 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1qtt s LEU 15 Cb -0.03 -0.57 0.05 0.00 0.03 0.00 0.00 46.19 45.67 1qtt s LEU 15 CO 0.04 0.02 -0.02 0.26 0.23 0.00 0.00 176.35 176.87 1qtt s TRP 16 N -0.88 1.61 -0.09 0.29 0.51 0.43 -1.72 118.94 119.09 1qtt s TRP 16 Ca 0.01 -1.14 -0.30 0.00 -2.12 0.00 0.00 56.10 52.55 1qtt s TRP 16 Cb -0.08 -1.27 -0.04 0.00 -0.81 0.00 0.00 33.47 31.28 1qtt s TRP 16 CO 0.01 -0.64 1.44 0.54 -0.51 0.00 0.00 176.95 177.79 1qtt s VAL 17 N 1.66 3.90 -0.06 4.03 0.11 -1.18 0.15 120.40 129.01 1qtt s VAL 17 Ca -0.01 1.13 0.03 0.00 -2.93 0.00 0.00 61.98 60.20 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 -0.08 -0.01 1.57 -3.33 0.00 0.00 175.10 173.18 1qtt n HIS 18 N 6.56 0.00 -4.22 1.54 -0.00 -0.79 -4.94 115.22 113.37 1qtt n HIS 18 Ca 0.15 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.20 1qtt n HIS 18 Cb 0.44 -0.26 -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 -0.33 1.57 -0.21 -1.20 -4.09 119.66 114.25 1qtt s GLN 19 Ca -0.04 -1.41 -0.34 0.00 0.02 0.00 0.00 55.36 53.58 1qtt s GLN 19 Cb 0.02 -0.43 -0.11 0.00 1.00 0.00 0.00 33.01 33.49 1qtt s GLN 19 CO 0.19 0.02 2.19 -1.91 -2.12 0.00 0.00 175.29 173.67 1qtt n GLU 20 N -0.14 1.20 -1.51 2.91 2.13 -1.26 0.14 120.64 124.10 1qtt n GLU 20 Ca -0.11 0.33 -0.08 0.00 0.66 0.00 0.00 57.16 57.96 1qtt n GLU 20 Cb 0.61 -2.55 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 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 6.42 0.71 3.14 8.31 0.00 -1.26 -4.93 105.19 117.58 1qtt n GLY 21 Ca 0.40 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.33 1.42 0.08 -0.61 1.09 0.37 0.24 121.20 121.47 1qtt s ILE 22 Ca 0.00 -0.72 0.03 0.00 -1.10 0.00 0.00 60.65 58.86 1qtt s ILE 22 Cb 0.00 -1.22 -0.03 0.00 -1.06 0.00 0.00 42.46 40.15 1qtt s ILE 22 CO 0.00 0.41 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.84 1qtt s TYR 23 N -0.04 0.99 -0.11 3.97 2.02 0.64 -1.88 117.35 122.94 1qtt s TYR 23 Ca -0.02 -0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 1qtt s TYR 23 Cb -0.11 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1qtt s TYR 23 CO 0.02 -0.02 -0.08 0.50 -1.57 0.00 0.00 175.55 174.40 1qtt s ARG 24 N -2.52 3.21 0.68 -0.62 3.52 0.39 0.22 118.95 123.83 1qtt s ARG 24 Ca 0.02 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.95 1qtt s ARG 24 Cb -0.04 -2.71 0.15 0.00 -1.56 0.00 0.00 34.95 30.79 1qtt s ARG 24 CO -0.00 0.41 0.92 -3.47 -0.81 0.00 0.00 175.30 172.35 1qtt n ASP 25 N 2.99 0.28 -1.58 -2.12 -0.08 0.20 -0.43 116.55 115.81 1qtt n ASP 25 Ca -0.18 -1.46 0.07 0.00 -1.51 0.00 0.00 54.79 51.71 1qtt n ASP 25 Cb 0.53 -0.69 0.33 0.00 2.34 0.00 0.00 41.12 43.63 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 -2.91 3.94 -1.02 -0.67 0.28 -1.25 -3.94 120.64 115.08 1qtt n GLU 26 Ca 0.12 -2.57 0.02 0.00 -0.16 0.00 0.00 57.16 54.57 1qtt n GLU 26 Cb 0.43 -2.02 0.01 0.00 1.43 0.00 0.00 31.44 31.28 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 0.68 0.00 -3.04 -1.84 4.01 -1.26 -4.99 117.16 110.72 1qtt n TYR 27 Ca 0.23 -0.27 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1qtt n TYR 27 Cb 0.95 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.94 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 0.26 -4.52 -4.06 -0.72 6.02 -1.25 -5.02 117.38 108.09 1qtt n GLN 28 Ca 0.03 0.51 -0.32 0.00 -0.01 0.00 0.00 57.00 57.21 1qtt n GLN 28 Cb 0.93 -4.56 -0.16 0.00 1.02 0.00 0.00 30.24 27.47 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 -5.38 2.40 0.39 -1.09 0.52 -1.26 -4.94 118.95 109.59 1qtt s ARG 29 Ca 0.20 -0.96 -0.24 0.00 -0.52 0.00 0.00 55.73 54.22 1qtt s ARG 29 Cb -0.09 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.72 1qtt s ARG 29 CO 0.45 -0.39 1.03 0.95 0.02 0.00 0.00 175.30 177.36 1qtt s THR 30 N 1.29 3.84 0.14 0.02 -4.23 -1.26 0.62 115.64 116.06 1qtt s THR 30 Ca -0.01 1.39 0.07 0.00 -1.18 0.00 0.00 61.69 61.96 1qtt s THR 30 Cb -0.16 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1qtt s THR 30 CO -0.09 -0.01 -0.16 0.26 -0.54 0.00 0.00 174.62 174.09 1qtt s TRP 31 N -1.70 1.58 -0.56 3.99 0.52 0.61 -2.80 118.94 120.58 1qtt s TRP 31 Ca 0.57 -0.53 0.04 0.00 0.02 0.00 0.00 56.10 56.21 1qtt s TRP 31 Cb -0.20 -0.80 0.14 0.00 -1.15 0.00 0.00 33.47 31.45 1qtt s TRP 31 CO 0.26 0.23 0.31 0.08 0.02 0.00 0.00 176.95 177.84 1qtt s VAL 32 N -2.17 2.63 -0.53 4.03 1.01 0.82 -0.26 120.40 125.93 1qtt s VAL 32 Ca 0.12 -3.52 -0.28 0.00 0.00 0.00 0.00 61.98 58.31 1qtt s VAL 32 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1qtt s VAL 32 CO 0.05 -0.85 1.56 0.00 0.00 0.00 0.00 175.10 175.86 1qtt s ALA 33 N -0.54 2.69 -1.13 5.51 0.00 0.67 -1.51 121.76 127.45 1qtt s ALA 33 Ca 0.19 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1qtt s ALA 33 Cb -0.21 -4.13 0.23 0.00 0.00 0.00 0.00 23.12 19.01 1qtt s ALA 33 CO -0.04 -3.07 1.22 0.08 0.00 0.00 0.00 175.76 173.95 1qtt s VAL 34 N 6.79 5.58 -0.58 0.00 1.01 0.46 -4.16 120.40 129.50 1qtt s VAL 34 Ca 0.60 -3.02 -0.38 0.00 0.00 0.00 0.00 61.98 59.18 1qtt s VAL 34 Cb -0.13 -4.72 -0.17 0.00 0.00 0.00 0.00 36.38 31.36 1qtt s VAL 34 CO 0.26 -1.35 2.30 0.55 0.00 0.00 0.00 175.10 176.85 1qtt n VAL 35 N 3.58 0.04 -3.66 2.92 3.14 -1.26 -2.76 118.33 120.33 1qtt n VAL 35 Ca 0.28 -0.11 -0.38 0.00 -2.96 0.00 0.00 64.34 61.17 1qtt n VAL 35 Cb 0.41 -0.92 -0.08 0.00 -1.06 0.00 0.00 33.84 32.19 1qtt n VAL 35 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1qtt s GLU 36 N 6.89 2.77 -0.34 1.45 0.41 0.50 -4.94 118.70 125.44 1qtt s GLU 36 Ca 1.20 -2.59 -0.34 0.00 -0.41 0.00 0.00 54.97 52.83 1qtt s GLU 36 Cb -1.21 -3.85 -0.10 0.00 -1.78 0.00 0.00 34.13 27.19 1qtt s GLU 36 CO 0.55 -1.20 2.21 -1.91 -0.49 0.00 0.00 175.26 174.43 1qtt n GLU 37 N 3.45 1.22 -1.16 1.61 2.13 -1.26 -2.95 120.64 123.68 1qtt n GLU 37 Ca 0.10 0.32 -0.30 0.00 0.66 0.00 0.00 57.16 57.94 1qtt n GLU 37 Cb 0.39 -2.62 0.12 0.00 0.27 0.00 0.00 31.44 29.60 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qtt s GLU 38 N 6.36 1.69 0.55 5.31 2.02 -0.27 -4.86 118.70 129.49 1qtt s GLU 38 Ca 1.08 1.08 0.35 0.00 0.02 0.00 0.00 54.97 57.50 1qtt s GLU 38 Cb -0.74 -1.84 1.52 0.00 0.10 0.00 0.00 34.13 33.16 1qtt s GLU 38 CO 0.46 -2.02 1.83 1.15 0.02 0.00 0.00 175.26 176.70 1qtt h THR 39 N -1.40 0.44 -0.03 3.63 2.02 -2.04 -3.01 112.91 112.52 1qtt h THR 39 Ca -0.46 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.53 1qtt h THR 39 Cb 1.26 0.45 -0.17 0.00 -1.74 0.00 0.00 68.15 67.96 1qtt h THR 39 CO 0.51 0.00 -0.34 -1.20 0.37 0.00 0.00 175.52 174.86 1qtt n SER 40 N -4.15 -1.38 -2.21 4.18 7.64 -1.26 -5.14 113.62 111.31 1qtt n SER 40 Ca 0.22 -2.27 -0.05 0.00 1.01 0.00 0.00 58.87 57.78 1qtt n SER 40 Cb 1.13 0.69 0.02 0.00 -1.01 0.00 0.00 64.21 65.04 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qtt n PHE 41 N -1.29 -1.74 -3.81 1.43 3.72 -1.14 -5.00 117.46 109.62 1qtt n PHE 41 Ca -0.13 -1.13 -0.30 0.00 -0.05 0.00 0.00 57.45 55.84 1qtt n PHE 41 Cb 0.87 0.56 -0.14 0.00 -0.94 0.00 0.00 39.48 39.83 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 3.26 -0.14 4.37 2.01 -1.23 -1.11 118.68 125.83 1qtt s LEU 42 Ca 0.11 -2.42 -0.06 0.00 0.01 0.00 0.00 54.13 51.77 1qtt s LEU 42 Cb -0.03 -1.22 -0.04 0.00 0.01 0.00 0.00 46.19 44.91 1qtt s LEU 42 CO 0.07 -0.31 0.06 -0.60 1.01 0.00 0.00 176.35 176.58 1qtt s ARG 43 N 0.57 3.61 -0.26 1.70 3.52 -1.15 -0.80 118.95 126.14 1qtt s ARG 43 Ca 0.15 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 1qtt s ARG 43 Cb -0.22 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1qtt s ARG 43 CO -0.06 0.49 -0.09 0.00 -0.81 0.00 0.00 175.30 174.83 1qtt s ALA 44 N -0.25 2.43 -0.57 6.12 0.00 0.35 0.19 121.76 130.02 1qtt s ALA 44 Ca 0.08 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.05 1qtt s ALA 44 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.46 1qtt s ALA 44 CO 0.01 -1.23 1.17 0.50 0.00 0.00 0.00 175.76 176.22 1qtt s ARG 45 N 1.16 3.51 -0.50 0.00 3.52 -1.11 -1.05 118.95 124.47 1qtt s ARG 45 Ca -0.07 0.22 -0.20 0.00 -0.13 0.00 0.00 55.73 55.55 1qtt s ARG 45 Cb -0.20 -4.01 0.05 0.00 -1.56 0.00 0.00 34.95 29.23 1qtt s ARG 45 CO -0.06 -1.65 0.65 0.08 -0.81 0.00 0.00 175.30 173.51 1qtt s VAL 46 N 4.85 4.84 -0.18 7.11 1.01 0.60 0.17 120.40 138.80 1qtt s VAL 46 Ca 0.42 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1qtt s VAL 46 Cb -0.08 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1qtt s VAL 46 CO 0.25 -0.81 0.04 -1.58 0.00 0.00 0.00 175.10 173.00 1qtt s GLN 47 N 2.73 3.90 -0.25 2.72 0.74 -0.57 0.21 119.66 129.14 1qtt s GLN 47 Ca 0.17 -0.39 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 1qtt s GLN 47 Cb -0.18 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 1qtt s GLN 47 CO 0.13 0.26 0.61 -1.14 -0.55 0.00 0.00 175.29 174.60 1qtt s GLN 48 N 0.37 4.11 0.16 1.67 -0.44 0.28 0.28 119.66 126.09 1qtt s GLN 48 Ca 0.01 0.51 -0.10 0.00 -2.50 0.00 0.00 55.36 53.29 1qtt s GLN 48 Cb -0.13 -3.65 -0.00 0.00 -1.64 0.00 0.00 33.01 27.59 1qtt s GLN 48 CO 0.01 -0.40 0.30 0.96 0.50 0.00 0.00 175.29 176.66 1qtt s ILE 49 N 2.46 0.07 -0.61 -2.34 -0.00 -1.12 -3.62 121.20 116.04 1qtt s ILE 49 Ca 0.25 -1.29 -0.23 0.00 -0.00 0.00 0.00 60.65 59.38 1qtt s ILE 49 Cb -0.16 -1.75 0.06 0.00 -0.00 0.00 0.00 42.46 40.61 1qtt s ILE 49 CO 0.09 -0.32 0.93 0.00 -0.00 0.00 0.00 174.94 175.64 1qtt s GLN 50 N -3.94 3.19 -0.14 0.37 0.00 -1.26 -4.32 119.66 113.55 1qtt s GLN 50 Ca 0.15 -0.64 -0.12 0.00 -0.00 0.00 0.00 55.36 54.75 1qtt s GLN 50 Cb 0.03 -4.16 0.04 0.00 0.00 0.00 0.00 33.01 28.92 1qtt s GLN 50 CO -0.02 -1.65 0.37 0.54 0.00 0.00 0.00 175.29 174.52 1qtt s VAL 51 N 3.92 -0.00 0.77 3.63 0.11 -1.26 -5.15 120.40 122.42 1qtt s VAL 51 Ca 0.24 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.19 1qtt s VAL 51 Cb -0.15 -0.52 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1qtt s VAL 51 CO 0.13 0.01 1.09 -2.16 -3.33 0.00 0.00 175.10 170.84 1qtt s PRO 52 N 0.33 2.30 -0.21 1.54 0.04 -1.26 -4.85 135.00 132.89 1qtt s PRO 52 Ca -0.01 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 1qtt s PRO 52 Cb -0.03 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1qtt s PRO 52 CO -0.01 -1.49 -0.14 -0.51 0.04 0.00 0.00 177.00 174.89 1qtt s LEU 53 N -5.72 2.57 0.00 -3.56 1.02 -1.26 -5.08 118.68 106.65 1qtt s LEU 53 Ca 0.60 -0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.06 1qtt s LEU 53 Cb -0.14 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.50 1qtt s LEU 53 CO 0.54 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.48 1qtt n GLY 54 N 4.65 0.10 3.98 -3.19 0.00 -1.26 -4.99 105.19 104.48 1qtt n GLY 54 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1qtt n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qtt s ASP 55 N -1.45 4.09 -0.36 1.61 1.01 -1.26 -5.05 116.67 115.27 1qtt s ASP 55 Ca 0.00 -0.20 0.14 0.00 0.71 0.00 0.00 52.55 53.21 1qtt s ASP 55 Cb 0.00 -0.12 0.44 0.00 1.01 0.00 0.00 42.92 44.25 1qtt s ASP 55 CO 0.00 -2.05 0.96 0.00 0.21 0.00 0.00 175.17 174.29 1qtt n ALA 56 N -3.05 3.63 -1.00 5.23 0.00 -1.26 -4.57 120.51 119.50 1qtt n ALA 56 Ca 0.15 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1qtt n ALA 56 Cb 0.60 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -5.02 120.51 110.97 1qtt n ALA 57 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1qtt n ALA 57 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.56 0.00 0.00 1.74 -1.26 -4.94 116.66 113.76 1qtt n ARG 58 Ca 0.00 -3.79 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 1qtt n ARG 58 Cb 0.00 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 0.41 0.00 -0.46 5.56 -0.04 -1.26 -2.40 135.00 136.80 1qtt n PRO 59 Ca 0.26 0.00 0.41 0.00 -0.04 0.00 0.00 63.50 64.13 1qtt n PRO 59 Cb 0.56 -0.17 0.67 0.00 -0.04 0.00 0.00 33.50 34.52 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 0.05 3.54 4.64 -1.91 2.66 113.55 122.52 1qtt h SER 60 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qtt h SER 60 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qtt h SER 60 CO 0.00 0.00 -0.02 0.45 -0.87 0.00 0.00 176.83 176.39 1qtt h HIS 61 N 0.00 -0.06 0.00 4.77 3.86 -1.92 1.17 115.15 122.97 1qtt h HIS 61 Ca 0.71 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.92 1qtt h HIS 61 Cb 3.23 0.02 0.00 0.00 1.06 0.00 0.00 27.41 31.72 1qtt h HIS 61 CO 0.00 0.13 -0.91 1.28 0.86 0.00 0.00 177.93 179.29 1qtt n LEU 62 N -5.04 0.74 -0.03 2.43 4.32 0.48 -2.34 117.00 117.57 1qtt n LEU 62 Ca -0.08 0.22 -0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1qtt n LEU 62 Cb 0.13 -0.11 -0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1qtt n LEU 62 CO 0.33 -0.10 -0.03 0.25 -1.22 0.00 0.00 177.39 176.63 1qtt h LEU 63 N 0.00 0.00 0.00 2.23 7.12 0.40 -3.43 115.31 121.64 1qtt h LEU 63 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1qtt h LEU 63 Cb 0.87 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1qtt h LEU 63 CO 0.00 0.33 -0.01 0.74 -0.13 0.00 0.00 178.44 179.37 1qtt h THR 64 N -0.61 0.00 -1.71 1.05 2.02 0.11 -3.49 112.91 110.29 1qtt h THR 64 Ca 0.00 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1qtt h THR 64 Cb 0.04 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1qtt h THR 64 CO 0.00 0.00 -0.14 -1.54 0.37 0.00 0.00 175.52 174.21 1qtt n SER 65 N -3.58 -2.73 0.08 4.18 3.41 -0.22 -4.95 113.62 109.81 1qtt n SER 65 Ca -0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1qtt n SER 65 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -1.45 0.00 -2.05 4.33 1.13 -1.26 -5.06 117.38 113.02 1qtt n GLN 66 Ca -0.01 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 1qtt n GLN 66 Cb 0.52 -0.36 -0.01 0.00 0.11 0.00 0.00 30.24 30.50 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 -6.98 4.25 0.90 1.08 1.02 -1.26 -5.00 118.68 112.69 1qtt s LEU 67 Ca 0.00 2.68 -0.12 0.00 0.02 0.00 0.00 54.13 56.70 1qtt s LEU 67 Cb 0.00 -3.85 0.13 0.00 0.02 0.00 0.00 46.19 42.49 1qtt s LEU 67 CO 0.00 -0.80 1.13 -2.16 0.02 0.00 0.00 176.35 174.54 1qtt s PRO 68 N -2.16 1.23 0.00 1.29 0.04 -1.26 -4.93 135.00 129.21 1qtt s PRO 68 Ca 0.55 0.32 0.26 0.00 0.04 0.00 0.00 61.00 62.18 1qtt s PRO 68 Cb -0.39 -1.85 1.16 0.00 0.04 0.00 0.00 34.50 33.47 1qtt s PRO 68 CO 0.50 -2.14 1.84 -0.11 0.04 0.00 0.00 177.00 177.13 1qtt n LEU 69 N -3.73 0.00 -3.63 -3.56 -0.00 -1.26 -4.72 117.00 100.10 1qtt n LEU 69 Ca 0.07 0.45 -0.08 0.00 -0.00 0.00 0.00 56.01 56.44 1qtt n LEU 69 Cb 0.59 -0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 43.50 1qtt n LEU 69 CO 0.57 -0.05 0.85 -0.32 -0.00 0.00 0.00 177.39 178.44 1qtt s MET 70 N -2.90 0.42 0.18 1.96 1.75 -1.26 -3.12 119.30 116.33 1qtt s MET 70 Ca 0.15 0.37 0.07 0.00 -1.25 0.00 0.00 55.69 55.03 1qtt s MET 70 Cb 0.17 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 38.00 1qtt s MET 70 CO 0.46 -0.08 0.04 -1.58 -0.65 0.00 0.00 175.02 173.21 1qtt s TRP 71 N -0.19 2.92 -0.30 4.11 0.51 -0.70 -3.69 118.94 121.60 1qtt s TRP 71 Ca 0.03 -0.11 -0.03 0.00 -2.12 0.00 0.00 56.10 53.87 1qtt s TRP 71 Cb -0.04 -1.40 0.10 0.00 -0.81 0.00 0.00 33.47 31.32 1qtt s TRP 71 CO -0.06 0.52 0.12 -1.14 -0.51 0.00 0.00 176.95 175.89 1qtt s GLN 72 N -3.06 0.39 -0.31 4.98 2.00 0.50 -2.63 119.66 121.53 1qtt s GLN 72 Ca 0.29 -0.75 -0.36 0.00 -2.00 0.00 0.00 55.36 52.54 1qtt s GLN 72 Cb -0.09 -1.46 -0.12 0.00 0.80 0.00 0.00 33.01 32.14 1qtt s GLN 72 CO 0.20 -1.02 2.09 -0.11 -0.50 0.00 0.00 175.29 175.95 1qtt n LEU 73 N 5.06 2.34 0.00 3.68 7.94 0.17 -0.14 117.00 136.04 1qtt n LEU 73 Ca -0.04 0.57 -0.19 0.00 -1.11 0.00 0.00 56.01 55.25 1qtt n LEU 73 Cb 0.42 -1.26 0.08 0.00 0.53 0.00 0.00 43.42 43.18 1qtt n LEU 73 CO 0.07 -0.60 0.39 -1.22 -1.11 0.00 0.00 177.39 174.91 1qtt n TYR 74 N 8.83 -2.53 -1.53 1.96 4.02 0.07 -4.86 117.16 123.13 1qtt n TYR 74 Ca 0.37 -1.85 -0.29 0.00 -0.01 0.00 0.00 57.90 56.12 1qtt n TYR 74 Cb 0.22 -0.55 0.18 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 -4.55 0.28 0.30 -0.72 0.04 -1.26 -4.26 135.00 124.83 1qtt s PRO 75 Ca 0.57 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1qtt s PRO 75 Cb -0.04 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1qtt s PRO 75 CO 0.37 -2.72 0.00 -1.91 0.04 0.00 0.00 177.00 172.78 1qtt n GLU 76 N -4.06 0.00 0.00 4.56 4.07 -1.26 -3.69 120.64 120.26 1qtt n GLU 76 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1qtt n GLU 76 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 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 0.00 0.00 -3.69 5.31 2.13 -1.26 -5.17 120.64 117.95 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 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 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 1.27 -0.19 5.31 3.00 -1.24 -3.39 118.95 123.71 1qtt s ARG 78 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 55.73 54.89 1qtt s ARG 78 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 34.95 35.44 1qtt s ARG 78 CO 0.00 -0.53 -0.04 0.71 0.00 0.00 0.00 175.30 175.44 1qtt s TYR 79 N -3.85 2.97 -0.28 -0.53 1.51 0.52 -0.75 117.35 116.95 1qtt s TYR 79 Ca 0.07 -0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 55.36 1qtt s TYR 79 Cb -0.00 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1qtt s TYR 79 CO -0.06 -0.33 0.22 1.41 -1.11 0.00 0.00 175.55 175.68 1qtt s MET 80 N 0.99 3.97 0.37 -0.62 -2.45 0.80 0.18 119.30 122.54 1qtt s MET 80 Ca 0.00 -0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 1qtt s MET 80 Cb -0.15 -3.65 0.08 0.00 1.25 0.00 0.00 34.83 32.36 1qtt s MET 80 CO 0.01 -0.18 0.50 -0.40 1.05 0.00 0.00 175.02 176.00 1qtt n ASP 81 N 5.05 0.29 -0.54 1.11 3.85 -0.60 -0.37 116.55 125.34 1qtt n ASP 81 Ca -0.13 -1.33 0.07 0.00 -0.71 0.00 0.00 54.79 52.68 1qtt n ASP 81 Cb 0.52 -0.36 0.06 0.00 -1.35 0.00 0.00 41.12 39.99 1qtt n ASP 81 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1qtt n ASN 82 N -3.18 2.16 -0.00 -1.12 2.85 -1.24 -4.29 115.26 110.43 1qtt n ASN 82 Ca 0.07 -1.57 0.15 0.00 -0.11 0.00 0.00 54.58 53.12 1qtt n ASN 82 Cb 0.25 -0.01 0.81 0.00 1.24 0.00 0.00 39.78 42.06 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 0.74 0.01 -0.14 1.20 2.85 -1.26 -4.85 115.26 113.81 1qtt n ASN 83 Ca 0.08 -0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1qtt n ASN 83 Cb 0.34 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.15 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 -1.20 -0.72 -4.06 1.20 2.88 -1.26 -5.09 113.62 105.37 1qtt n SER 84 Ca 0.17 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1qtt n SER 84 Cb 0.21 -0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.36 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 -2.26 0.91 -0.13 -1.46 1.81 -1.26 -5.07 118.95 111.49 1qtt s ARG 85 Ca 0.00 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1qtt s ARG 85 Cb 0.00 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.80 1qtt s ARG 85 CO 0.00 -0.27 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.06 1qtt s LEU 86 N -2.98 1.56 -0.08 2.53 0.20 -1.26 -1.55 118.68 117.09 1qtt s LEU 86 Ca 0.17 -0.42 -0.12 0.00 0.69 0.00 0.00 54.13 54.45 1qtt s LEU 86 Cb 0.06 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.72 1qtt s LEU 86 CO -0.03 -0.05 0.28 0.26 -0.29 0.00 0.00 176.35 176.52 1qtt s TRP 87 N 1.41 3.62 -0.21 5.38 0.52 0.47 -4.00 118.94 126.12 1qtt s TRP 87 Ca 0.02 0.72 -0.13 0.00 0.02 0.00 0.00 56.10 56.73 1qtt s TRP 87 Cb -0.13 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.97 1qtt s TRP 87 CO -0.08 0.58 0.26 -1.14 0.02 0.00 0.00 176.95 176.59 1qtt s GLN 88 N -0.69 4.14 -0.69 4.98 0.74 1.04 0.20 119.66 129.38 1qtt s GLN 88 Ca 0.19 -0.05 -0.26 0.00 0.05 0.00 0.00 55.36 55.29 1qtt s GLN 88 Cb -0.14 -3.51 -0.08 0.00 1.10 0.00 0.00 33.01 30.37 1qtt s GLN 88 CO 0.07 0.07 2.24 0.42 -0.55 0.00 0.00 175.29 177.54 1qtt s ILE 89 N 1.02 3.14 0.21 -2.34 -1.09 -1.22 0.12 121.20 121.04 1qtt s ILE 89 Ca 0.13 -0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1qtt s ILE 89 Cb -0.14 -3.34 0.14 0.00 -1.58 0.00 0.00 42.46 37.54 1qtt s ILE 89 CO 0.05 -0.33 1.76 1.56 -1.23 0.00 0.00 174.94 176.75 1qtt h GLN 90 N 14.86 0.45 -1.35 2.79 1.08 0.70 -3.44 115.11 130.20 1qtt h GLN 90 Ca -0.09 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.21 1qtt h GLN 90 Cb 1.11 -0.10 -0.29 0.00 -0.05 0.00 0.00 27.48 28.14 1qtt h GLN 90 CO 1.12 0.30 0.60 -3.38 -0.95 0.00 0.00 178.83 176.52 1qtt s HIS 91 N -6.09 -0.32 -0.14 2.96 -3.43 -1.19 -4.96 115.29 102.12 1qtt s HIS 91 Ca -0.13 0.70 -0.01 0.00 -0.80 0.00 0.00 55.06 54.82 1qtt s HIS 91 Cb 0.17 0.34 0.04 0.00 -1.43 0.00 0.00 32.58 31.70 1qtt s HIS 91 CO 0.75 -0.15 -0.03 -1.58 -2.00 0.00 0.00 174.74 171.72 1qtt s HIS 92 N 0.58 1.33 0.35 0.38 2.46 -1.26 0.68 115.29 119.81 1qtt s HIS 92 Ca -0.01 -0.79 -0.06 0.00 0.47 0.00 0.00 55.06 54.67 1qtt s HIS 92 Cb -0.04 -1.14 0.03 0.00 -0.13 0.00 0.00 32.58 31.29 1qtt s HIS 92 CO -0.12 -0.54 0.57 1.47 -2.47 0.00 0.00 174.74 173.66 1qtt n LEU 93 N 4.97 0.00 -4.05 8.88 -0.00 -1.15 -5.00 117.00 120.66 1qtt n LEU 93 Ca -0.10 -2.61 -0.24 0.00 -0.00 0.00 0.00 56.01 53.05 1qtt n LEU 93 Cb 0.48 2.88 -0.16 0.00 -0.00 0.00 0.00 43.42 46.63 1qtt n LEU 93 CO 0.15 -0.70 -0.47 -0.32 -0.00 0.00 0.00 177.39 176.05 1qtt s MET 94 N -2.50 1.56 -0.01 1.47 -2.45 -1.26 -0.76 119.30 115.36 1qtt s MET 94 Ca 0.23 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 1qtt s MET 94 Cb -0.02 -1.33 -0.00 0.00 1.25 0.00 0.00 34.83 34.72 1qtt s MET 94 CO 0.17 0.10 -0.04 0.08 1.05 0.00 0.00 175.02 176.38 1qtt s VAL 95 N 0.41 0.33 -1.46 10.11 1.01 0.53 -4.80 120.40 126.52 1qtt s VAL 95 Ca -0.09 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1qtt s VAL 95 Cb -0.13 -0.30 0.11 0.00 0.00 0.00 0.00 36.38 36.06 1qtt s VAL 95 CO 0.03 0.10 0.67 0.54 0.00 0.00 0.00 175.10 176.44 1qtt n ARG 96 N 3.10 -3.63 -1.40 2.72 1.74 -1.26 0.20 116.66 118.13 1qtt n ARG 96 Ca -0.14 0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1qtt n ARG 96 Cb 0.58 -5.20 -0.05 0.00 -1.02 0.00 0.00 32.46 26.77 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qtt n GLY 97 N -1.32 1.18 3.17 -0.13 0.00 -1.26 -4.99 105.19 101.84 1qtt n GLY 97 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.44 1.81 -0.33 1.61 1.01 0.53 -4.98 120.40 117.61 1qtt s VAL 98 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1qtt s VAL 98 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1qtt s VAL 98 CO 0.00 0.51 0.48 -1.10 0.00 0.00 0.00 175.10 174.99 1qtt s GLN 99 N 0.35 3.71 -0.42 2.72 -0.21 -1.24 0.20 119.66 124.77 1qtt s GLN 99 Ca -0.16 -0.12 -0.08 0.00 0.02 0.00 0.00 55.36 55.03 1qtt s GLN 99 Cb -0.17 -3.77 0.09 0.00 1.00 0.00 0.00 33.01 30.15 1qtt s GLN 99 CO 0.07 -0.56 0.25 -2.00 -2.12 0.00 0.00 175.29 170.93 1qtt s GLU 100 N 2.31 2.51 -0.25 2.91 2.12 0.06 0.99 118.70 129.34 1qtt s GLU 100 Ca 0.18 -1.53 -0.11 0.00 0.36 0.00 0.00 54.97 53.87 1qtt s GLU 100 Cb -0.16 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1qtt s GLU 100 CO 0.12 -0.98 0.18 -1.17 -0.54 0.00 0.00 175.26 172.88 1qtt s LEU 101 N 1.37 4.08 -0.26 2.70 0.20 0.56 -2.95 118.68 124.39 1qtt s LEU 101 Ca 0.03 0.09 -0.12 0.00 0.69 0.00 0.00 54.13 54.82 1qtt s LEU 101 Cb -0.23 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 1qtt s LEU 101 CO 0.01 0.01 0.26 -0.76 -0.29 0.00 0.00 176.35 175.58 1qtt s LEU 102 N 1.34 4.05 -0.15 -0.68 1.43 0.21 0.22 118.68 125.11 1qtt s LEU 102 Ca 0.08 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1qtt s LEU 102 Cb -0.14 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1qtt s LEU 102 CO 0.07 -0.07 -0.09 -0.76 0.23 0.00 0.00 176.35 175.73 1qtt s LEU 103 N 1.69 2.93 -0.11 1.79 1.43 -0.21 0.13 118.68 126.33 1qtt s LEU 103 Ca 0.10 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1qtt s LEU 103 Cb -0.15 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1qtt s LEU 103 CO 0.09 0.16 -0.23 -0.75 0.23 0.00 0.00 176.35 175.85 1qtt s LYS 104 N 0.42 3.07 -0.21 1.70 2.36 0.12 0.13 119.74 127.33 1qtt s LYS 104 Ca -0.07 -0.86 -0.05 0.00 -2.55 0.00 0.00 55.97 52.43 1qtt s LYS 104 Cb -0.15 -2.33 -0.02 0.00 -1.05 0.00 0.00 37.83 34.27 1qtt s LYS 104 CO 0.04 0.17 0.01 -1.17 1.55 0.00 0.00 175.35 175.94 1qtt s LEU 105 N 0.38 3.27 0.35 5.43 2.96 0.02 0.34 118.68 131.43 1qtt s LEU 105 Ca -0.17 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 1qtt s LEU 105 Cb -0.18 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1qtt s LEU 105 CO 0.08 0.05 0.72 -0.76 -1.32 0.00 0.00 176.35 175.11 1qtt s LEU 106 N 1.08 3.96 0.23 -0.68 1.02 -1.26 -3.58 118.68 119.46 1qtt s LEU 106 Ca 0.02 1.12 -0.30 0.00 0.02 0.00 0.00 54.13 55.00 1qtt s LEU 106 Cb -0.14 -3.96 -0.09 0.00 0.02 0.00 0.00 46.19 42.02 1qtt s LEU 106 CO 0.02 -0.28 1.10 -2.16 0.02 0.00 0.00 176.35 175.04 1qtt s PRO 107 N -3.42 4.62 -0.55 1.29 0.04 -1.26 -4.87 135.00 130.85 1qtt s PRO 107 Ca 0.51 1.75 -0.41 0.00 0.04 0.00 0.00 61.00 62.89 1qtt s PRO 107 Cb -0.10 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 31.01 1qtt s PRO 107 CO 0.25 0.15 2.22 -3.47 0.04 0.00 0.00 177.00 176.20 1qtt n ASP 108 N 1.82 0.82 -4.67 6.66 2.03 -1.26 -4.64 116.55 117.31 1qtt n ASP 108 Ca 0.01 0.58 -0.65 0.00 0.52 0.00 0.00 54.79 55.25 1qtt n ASP 108 Cb 0.45 -0.94 -0.09 0.00 -0.72 0.00 0.00 41.12 39.82 1qtt n ASP 108 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1qtt n ASP 109 N 8.17 0.85 -3.86 1.67 -0.08 -1.26 -4.92 116.55 117.12 1qtt n ASP 109 Ca 0.55 1.18 -0.10 0.00 -1.51 0.00 0.00 54.79 54.91 1qtt n ASP 109 Cb -0.00 -0.90 -0.08 0.00 2.34 0.00 0.00 41.12 42.47 1qtt n ASP 109 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qtt s ARG 110 N 2.04 0.72 -0.95 -0.67 1.70 -1.26 -5.06 118.95 115.46 1qtt s ARG 110 Ca 1.00 -0.74 -0.29 0.00 -0.47 0.00 0.00 55.73 55.23 1qtt s ARG 110 Cb -1.41 0.29 -0.21 0.00 -0.57 0.00 0.00 34.95 33.05 1qtt s ARG 110 CO 0.73 -0.21 2.56 0.45 -1.08 0.00 0.00 175.30 177.75 1qtt n SER 111 N 0.48 0.22 -4.16 -2.89 2.88 -1.26 -4.71 113.62 104.18 1qtt n SER 111 Ca -0.18 0.15 -0.39 0.00 -1.33 0.00 0.00 58.87 57.12 1qtt n SER 111 Cb 0.60 -0.87 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 1qtt n SER 111 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qtt n PRO 112 N 8.02 2.28 0.00 -1.46 -0.04 -1.26 -4.87 135.00 137.66 1qtt n PRO 112 Ca 0.63 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1qtt n PRO 112 Cb 0.03 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.12 1qtt n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qtt n GLY 113 N 5.01 0.98 2.57 0.55 0.00 -1.26 -4.82 105.19 108.21 1qtt n GLY 113 Ca 0.49 0.77 -0.05 0.00 0.00 0.00 0.00 46.02 47.23 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 0.00 -1.72 -3.87 -0.61 0.13 -1.26 -4.90 119.36 107.14 1qtt n ILE 114 Ca 0.00 0.32 -0.28 0.00 -1.10 0.00 0.00 62.75 61.68 1qtt n ILE 114 Cb 0.00 -2.30 -0.12 0.00 -0.84 0.00 0.00 39.64 36.38 1qtt n ILE 114 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 1qtt s HIS 115 N -0.80 3.24 0.11 9.51 -3.43 -1.26 -5.08 115.29 117.57 1qtt s HIS 115 Ca 0.05 -3.19 -0.35 0.00 -0.80 0.00 0.00 55.06 50.77 1qtt s HIS 115 Cb -0.00 -2.57 -0.17 0.00 -1.43 0.00 0.00 32.58 28.40 1qtt s HIS 115 CO 0.11 -0.62 1.07 -2.13 -2.00 0.00 0.00 174.74 171.17 1qtt n ARG 116 N 2.36 0.61 0.00 -0.38 0.63 -1.26 -5.32 116.66 113.31 1qtt n ARG 116 Ca 0.17 0.22 0.10 0.00 -0.92 0.00 0.00 57.85 57.41 1qtt n ARG 116 Cb 0.35 -1.67 0.59 0.00 0.45 0.00 0.00 32.46 32.18 1qtt n ARG 116 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87