#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt s SER 2 N 0.00 6.71 0.00 1.61 0.15 -1.26 -4.93 113.70 115.98 1qtt s SER 2 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1qtt s SER 2 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1qtt s SER 2 CO 0.00 -1.10 0.00 0.80 1.20 0.00 0.00 173.24 174.14 1qtt n MET 3 N 7.39 0.00 -3.16 5.44 0.00 -1.26 -5.15 117.12 120.39 1qtt n MET 3 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.87 1qtt n MET 3 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.69 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 -0.10 -2.27 0.00 -5.12 0.00 -1.26 -5.11 121.76 107.90 1qtt s ALA 4 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1qtt s ALA 4 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1qtt s ALA 4 CO 0.00 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1qtt n GLY 5 N 5.42 2.82 3.58 0.00 0.00 -1.26 -5.19 105.19 110.57 1qtt n GLY 5 Ca 0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.72 0.45 -0.04 1.61 2.12 -1.26 -5.18 118.70 115.67 1qtt s GLU 6 Ca 0.00 -0.04 -0.22 0.00 0.36 0.00 0.00 54.97 55.07 1qtt s GLU 6 Cb 0.00 0.21 0.05 0.00 0.26 0.00 0.00 34.13 34.64 1qtt s GLU 6 CO 0.00 -0.17 0.49 -0.51 -0.54 0.00 0.00 175.26 174.53 1qtt s ASP 7 N -1.68 -0.43 1.08 -1.70 1.11 -1.26 -4.88 116.67 108.92 1qtt s ASP 7 Ca 0.05 0.44 -0.13 0.00 0.18 0.00 0.00 52.55 53.09 1qtt s ASP 7 Cb -0.01 0.47 0.23 0.00 1.07 0.00 0.00 42.92 44.68 1qtt s ASP 7 CO -0.04 -0.50 1.07 -0.69 1.18 0.00 0.00 175.17 176.19 1qtt s VAL 8 N -1.15 1.96 -0.21 -1.27 1.01 -1.26 -4.92 120.40 114.55 1qtt s VAL 8 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1qtt s VAL 8 Cb -0.03 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1qtt s VAL 8 CO 0.07 0.00 -0.32 0.61 0.00 0.00 0.00 175.10 175.46 1qtt n GLY 9 N -0.47 -0.44 3.64 4.51 0.00 -1.26 -5.05 105.19 106.11 1qtt n GLY 9 Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.62 -1.86 0.97 4.61 0.00 -1.26 -5.17 121.76 116.42 1qtt s ALA 10 Ca -0.31 2.32 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 1qtt s ALA 10 Cb 0.09 -1.37 0.17 0.00 0.00 0.00 0.00 23.12 22.01 1qtt s ALA 10 CO 0.42 -0.37 1.16 -1.25 0.00 0.00 0.00 175.76 175.72 1qtt s PRO 11 N 1.31 0.67 -0.90 0.00 0.04 -1.26 -4.93 135.00 129.93 1qtt s PRO 11 Ca -0.07 0.11 -0.24 0.00 0.04 0.00 0.00 61.00 60.84 1qtt s PRO 11 Cb -0.05 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1qtt s PRO 11 CO -0.15 -2.48 1.66 -1.25 0.04 0.00 0.00 177.00 174.83 1qtt s PRO 12 N -5.40 3.05 0.59 0.56 0.04 -1.26 -4.80 135.00 127.78 1qtt s PRO 12 Ca 0.67 -0.53 0.34 0.00 0.04 0.00 0.00 61.00 61.51 1qtt s PRO 12 Cb -0.12 -5.02 1.29 0.00 0.04 0.00 0.00 34.50 30.69 1qtt s PRO 12 CO 0.54 -2.70 1.54 0.22 0.04 0.00 0.00 177.00 176.64 1qtt h ASP 13 N 10.92 0.00 -4.77 6.66 1.82 -1.95 -3.39 116.42 125.71 1qtt h ASP 13 Ca 0.06 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.58 1qtt h ASP 13 Cb 1.03 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.83 1qtt h ASP 13 CO 1.31 0.00 -0.25 -1.38 -1.61 0.00 0.00 179.24 177.31 1qtt s HIS 14 N -4.63 -0.25 0.05 0.28 -3.43 -1.26 0.13 115.29 106.18 1qtt s HIS 14 Ca -0.04 0.45 0.05 0.00 -0.80 0.00 0.00 55.06 54.72 1qtt s HIS 14 Cb 0.18 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.43 1qtt s HIS 14 CO 0.62 -0.36 -0.14 -0.51 -2.00 0.00 0.00 174.74 172.35 1qtt s LEU 15 N -1.03 2.21 -0.20 5.38 1.43 -1.13 -3.83 118.68 121.51 1qtt s LEU 15 Ca -0.11 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1qtt s LEU 15 Cb -0.04 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.69 1qtt s LEU 15 CO 0.04 -0.01 0.01 0.26 0.23 0.00 0.00 176.35 176.87 1qtt s TRP 16 N -1.00 1.45 -0.12 0.29 0.51 -0.30 -1.92 118.94 117.84 1qtt s TRP 16 Ca -0.00 -1.12 -0.29 0.00 -2.12 0.00 0.00 56.10 52.56 1qtt s TRP 16 Cb -0.09 -1.20 -0.04 0.00 -0.81 0.00 0.00 33.47 31.34 1qtt s TRP 16 CO 0.02 -0.66 1.51 0.54 -0.51 0.00 0.00 176.95 177.85 1qtt s VAL 17 N 1.72 3.84 -0.05 4.03 0.11 -1.01 0.99 120.40 130.03 1qtt s VAL 17 Ca -0.02 1.01 0.06 0.00 -2.93 0.00 0.00 61.98 60.10 1qtt s VAL 17 Cb -0.18 -3.69 -0.09 0.00 -1.53 0.00 0.00 36.38 30.90 1qtt s VAL 17 CO -0.07 -0.13 0.05 1.57 -3.33 0.00 0.00 175.10 173.19 1qtt n HIS 18 N 7.18 0.00 -4.14 1.54 -0.00 -1.07 -4.95 115.22 113.78 1qtt n HIS 18 Ca 0.16 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.25 1qtt n HIS 18 Cb 0.44 -0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 29.93 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 -2.23 0.75 -0.28 1.57 -1.52 -1.23 -4.04 119.66 112.67 1qtt s GLN 19 Ca -0.03 -1.26 -0.33 0.00 -1.95 0.00 0.00 55.36 51.79 1qtt s GLN 19 Cb 0.02 -0.09 -0.09 0.00 -0.22 0.00 0.00 33.01 32.63 1qtt s GLN 19 CO 0.27 -0.04 2.17 -0.85 -0.25 0.00 0.00 175.29 176.59 1qtt n GLU 20 N 0.10 1.46 -1.46 2.91 0.28 -1.26 0.90 120.64 123.57 1qtt n GLU 20 Ca -0.13 0.41 -0.07 0.00 -0.16 0.00 0.00 57.16 57.21 1qtt n GLU 20 Cb 0.60 -2.73 -0.02 0.00 1.43 0.00 0.00 31.44 30.73 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 6.09 0.67 3.17 -1.84 0.00 -1.26 -4.94 105.19 107.08 1qtt n GLY 21 Ca 0.36 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.28 1.31 0.05 -0.61 1.09 0.26 0.20 121.20 121.22 1qtt s ILE 22 Ca 0.00 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.66 1qtt s ILE 22 Cb 0.00 -1.13 -0.03 0.00 -1.06 0.00 0.00 42.46 40.24 1qtt s ILE 22 CO 0.00 0.22 -0.05 -0.31 -0.10 0.00 0.00 174.94 174.70 1qtt s TYR 23 N -0.61 0.60 -0.15 3.97 2.02 0.16 -2.59 117.35 120.75 1qtt s TYR 23 Ca 0.05 -0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1qtt s TYR 23 Cb -0.07 -0.38 -0.02 0.00 -0.40 0.00 0.00 41.96 41.08 1qtt s TYR 23 CO 0.00 -0.20 -0.06 0.50 -1.57 0.00 0.00 175.55 174.22 1qtt s ARG 24 N -2.77 3.60 0.93 -0.62 3.52 0.28 0.26 118.95 124.14 1qtt s ARG 24 Ca -0.01 -0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 54.88 1qtt s ARG 24 Cb -0.01 -2.85 0.18 0.00 -1.56 0.00 0.00 34.95 30.71 1qtt s ARG 24 CO -0.04 0.23 1.29 0.34 -0.81 0.00 0.00 175.30 176.31 1qtt s ASP 25 N 0.37 3.34 -0.15 -2.12 3.68 0.26 -1.15 116.67 120.90 1qtt s ASP 25 Ca -0.06 0.29 0.07 0.00 2.13 0.00 0.00 52.55 54.98 1qtt s ASP 25 Cb -0.15 -0.40 0.46 0.00 -1.45 0.00 0.00 42.92 41.39 1qtt s ASP 25 CO 0.04 -2.59 1.25 -1.84 0.13 0.00 0.00 175.17 172.16 1qtt n GLU 26 N -3.66 3.07 -1.27 4.34 0.28 -1.25 -3.70 120.64 118.45 1qtt n GLU 26 Ca 0.14 -1.80 0.01 0.00 -0.16 0.00 0.00 57.16 55.36 1qtt n GLU 26 Cb 0.60 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.55 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 0.26 0.00 -3.26 -1.84 4.01 -1.26 -4.99 117.16 110.09 1qtt n TYR 27 Ca 0.18 -0.44 -0.16 0.00 -0.16 0.00 0.00 57.90 57.32 1qtt n TYR 27 Cb 0.84 -0.00 0.07 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 0.34 -5.84 -3.96 -0.72 3.00 -1.24 -5.01 117.38 103.94 1qtt n GLN 28 Ca -0.01 0.69 -0.30 0.00 -0.01 0.00 0.00 57.00 57.36 1qtt n GLN 28 Cb 1.00 -5.25 -0.16 0.00 0.00 0.00 0.00 30.24 25.83 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1qtt s ARG 29 N -5.49 1.84 0.33 -1.09 1.81 -1.26 -4.94 118.95 110.16 1qtt s ARG 29 Ca 0.19 -0.77 -0.27 0.00 -1.72 0.00 0.00 55.73 53.16 1qtt s ARG 29 Cb -0.08 -2.33 -0.09 0.00 -0.45 0.00 0.00 34.95 32.00 1qtt s ARG 29 CO 0.59 -0.44 1.07 0.95 -0.68 0.00 0.00 175.30 176.79 1qtt s THR 30 N 1.46 3.62 0.17 0.02 -4.23 -1.26 0.90 115.64 116.32 1qtt s THR 30 Ca -0.01 1.44 0.10 0.00 -1.18 0.00 0.00 61.69 62.04 1qtt s THR 30 Cb -0.16 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 1qtt s THR 30 CO -0.08 0.21 -0.22 0.26 -0.54 0.00 0.00 174.62 174.25 1qtt s TRP 31 N -1.38 2.10 -0.37 3.99 0.52 0.73 -2.54 118.94 121.99 1qtt s TRP 31 Ca 0.50 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.23 1qtt s TRP 31 Cb -0.27 -1.06 0.10 0.00 -1.15 0.00 0.00 33.47 31.09 1qtt s TRP 31 CO 0.35 0.41 0.12 0.08 0.02 0.00 0.00 176.95 177.93 1qtt s VAL 32 N -1.72 2.80 -0.59 4.03 1.01 0.89 0.40 120.40 127.22 1qtt s VAL 32 Ca 0.17 -2.16 -0.24 0.00 0.00 0.00 0.00 61.98 59.76 1qtt s VAL 32 Cb -0.07 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.39 1qtt s VAL 32 CO 0.08 -0.62 0.97 0.00 0.00 0.00 0.00 175.10 175.53 1qtt s ALA 33 N 1.03 3.12 -1.05 5.51 0.00 0.53 0.86 121.76 131.77 1qtt s ALA 33 Ca 0.09 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1qtt s ALA 33 Cb -0.21 -3.80 0.19 0.00 0.00 0.00 0.00 23.12 19.30 1qtt s ALA 33 CO -0.06 -2.55 1.17 0.08 0.00 0.00 0.00 175.76 174.40 1qtt s VAL 34 N 4.08 5.25 -0.39 0.00 1.01 0.52 -4.23 120.40 126.65 1qtt s VAL 34 Ca 0.28 -2.48 -0.38 0.00 0.00 0.00 0.00 61.98 59.40 1qtt s VAL 34 Cb -0.14 -4.74 -0.14 0.00 0.00 0.00 0.00 36.38 31.37 1qtt s VAL 34 CO 0.16 -1.40 2.15 0.55 0.00 0.00 0.00 175.10 176.57 1qtt n VAL 35 N 4.35 0.14 -3.91 2.92 3.14 -1.26 -2.76 118.33 120.94 1qtt n VAL 35 Ca 0.27 -0.17 -0.32 0.00 -2.96 0.00 0.00 64.34 61.16 1qtt n VAL 35 Cb 0.44 -1.27 -0.13 0.00 -1.06 0.00 0.00 33.84 31.82 1qtt n VAL 35 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1qtt s GLU 36 N 6.01 1.99 -0.20 1.45 -6.30 0.53 -4.96 118.70 117.22 1qtt s GLU 36 Ca 1.12 -2.42 -0.31 0.00 -2.50 0.00 0.00 54.97 50.86 1qtt s GLU 36 Cb -1.07 -3.39 -0.08 0.00 0.00 0.00 0.00 34.13 29.59 1qtt s GLU 36 CO 0.55 -1.09 2.13 -0.85 0.02 0.00 0.00 175.26 176.03 1qtt n GLU 37 N 3.48 1.86 -1.26 4.30 0.28 -1.26 -2.58 120.64 125.46 1qtt n GLU 37 Ca 0.05 0.57 -0.31 0.00 -0.16 0.00 0.00 57.16 57.31 1qtt n GLU 37 Cb 0.36 -2.91 0.10 0.00 1.43 0.00 0.00 31.44 30.42 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1qtt s GLU 38 N 5.73 1.99 0.50 3.44 0.41 0.12 -4.87 118.70 126.02 1qtt s GLU 38 Ca 1.01 1.06 0.32 0.00 -0.41 0.00 0.00 54.97 56.95 1qtt s GLU 38 Cb -0.54 -1.87 1.45 0.00 -1.78 0.00 0.00 34.13 31.38 1qtt s GLU 38 CO 0.42 -1.80 1.78 1.15 -0.49 0.00 0.00 175.26 176.32 1qtt h THR 39 N -1.24 0.40 -0.05 3.63 2.02 -2.03 -2.98 112.91 112.66 1qtt h THR 39 Ca -0.45 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1qtt h THR 39 Cb 1.25 0.29 -0.18 0.00 -1.74 0.00 0.00 68.15 67.76 1qtt h THR 39 CO 0.52 0.02 -0.39 -0.24 0.37 0.00 0.00 175.52 175.81 1qtt n SER 40 N -4.31 -1.03 -2.88 4.18 2.88 -1.26 -5.13 113.62 106.07 1qtt n SER 40 Ca 0.27 -2.18 -0.08 0.00 -1.33 0.00 0.00 58.87 55.55 1qtt n SER 40 Cb 1.20 0.50 0.03 0.00 -0.75 0.00 0.00 64.21 65.20 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 -0.37 0.15 -0.22 0.66 0.08 -1.13 -4.97 117.98 112.17 1qtt s PHE 41 Ca 0.11 -0.81 0.01 0.00 0.12 0.00 0.00 56.93 56.36 1qtt s PHE 41 Cb 0.40 0.84 0.03 0.00 -0.57 0.00 0.00 43.02 43.72 1qtt s PHE 41 CO -0.11 -1.52 -0.14 -0.51 -0.10 0.00 0.00 175.22 172.84 1qtt s LEU 42 N -3.15 2.80 -0.10 -0.37 2.01 -1.21 0.13 118.68 118.79 1qtt s LEU 42 Ca 0.17 -0.95 0.04 0.00 0.01 0.00 0.00 54.13 53.40 1qtt s LEU 42 Cb -0.05 -1.54 0.00 0.00 0.01 0.00 0.00 46.19 44.61 1qtt s LEU 42 CO 0.11 -0.09 -0.22 -0.60 1.01 0.00 0.00 176.35 176.56 1qtt s ARG 43 N 1.23 2.88 -0.47 1.70 3.52 -1.07 0.66 118.95 127.40 1qtt s ARG 43 Ca -0.01 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1qtt s ARG 43 Cb -0.16 -2.21 0.12 0.00 -1.56 0.00 0.00 34.95 31.14 1qtt s ARG 43 CO -0.08 0.13 0.21 0.00 -0.81 0.00 0.00 175.30 174.74 1qtt s ALA 44 N 0.46 3.20 -0.41 6.12 0.00 0.30 0.20 121.76 131.63 1qtt s ALA 44 Ca -0.16 -3.01 -0.28 0.00 0.00 0.00 0.00 51.96 48.51 1qtt s ALA 44 Cb -0.17 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1qtt s ALA 44 CO 0.07 -1.91 1.75 0.50 0.00 0.00 0.00 175.76 176.16 1qtt s ARG 45 N 0.17 3.20 -0.40 0.00 3.52 -1.11 -2.10 118.95 122.23 1qtt s ARG 45 Ca 0.15 1.14 -0.17 0.00 -0.13 0.00 0.00 55.73 56.71 1qtt s ARG 45 Cb -0.23 -4.22 0.01 0.00 -1.56 0.00 0.00 34.95 28.95 1qtt s ARG 45 CO -0.03 -2.03 0.46 0.08 -0.81 0.00 0.00 175.30 172.97 1qtt s VAL 46 N 7.20 5.06 -0.16 7.11 1.01 0.59 0.20 120.40 141.41 1qtt s VAL 46 Ca 0.74 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1qtt s VAL 46 Cb -0.18 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1qtt s VAL 46 CO 0.30 -0.35 -0.01 -1.58 0.00 0.00 0.00 175.10 173.46 1qtt s GLN 47 N 2.24 3.73 -0.23 2.72 2.00 0.25 0.25 119.66 130.62 1qtt s GLN 47 Ca 0.14 -0.47 -0.22 0.00 -2.00 0.00 0.00 55.36 52.81 1qtt s GLN 47 Cb -0.16 -2.98 -0.02 0.00 0.80 0.00 0.00 33.01 30.65 1qtt s GLN 47 CO 0.14 0.26 0.69 -1.14 -0.50 0.00 0.00 175.29 174.74 1qtt s GLN 48 N 0.32 4.17 0.16 1.67 2.00 0.32 0.30 119.66 128.61 1qtt s GLN 48 Ca -0.02 0.70 -0.12 0.00 -2.00 0.00 0.00 55.36 53.92 1qtt s GLN 48 Cb -0.14 -3.62 0.01 0.00 0.80 0.00 0.00 33.01 30.06 1qtt s GLN 48 CO 0.02 -0.38 0.35 0.96 -0.50 0.00 0.00 175.29 175.74 1qtt s ILE 49 N 2.40 0.07 -0.77 -2.34 -0.00 -1.05 -3.73 121.20 115.77 1qtt s ILE 49 Ca 0.30 -1.12 -0.16 0.00 -0.00 0.00 0.00 60.65 59.66 1qtt s ILE 49 Cb -0.16 -1.64 0.16 0.00 -0.00 0.00 0.00 42.46 40.83 1qtt s ILE 49 CO 0.09 -0.30 0.82 0.00 -0.00 0.00 0.00 174.94 175.55 1qtt s GLN 50 N -3.91 3.42 -0.00 0.37 0.00 -1.26 -4.11 119.66 114.16 1qtt s GLN 50 Ca 0.12 -1.97 0.01 0.00 -0.00 0.00 0.00 55.36 53.53 1qtt s GLN 50 Cb 0.02 -4.50 -0.00 0.00 0.00 0.00 0.00 33.01 28.53 1qtt s GLN 50 CO -0.03 -1.47 -0.05 0.14 0.00 0.00 0.00 175.29 173.88 1qtt s VAL 51 N 1.48 0.36 0.21 3.63 -7.23 -1.26 -5.13 120.40 112.46 1qtt s VAL 51 Ca 0.19 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 1qtt s VAL 51 Cb -0.14 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 1qtt s VAL 51 CO -0.05 0.10 1.11 -2.16 -0.31 0.00 0.00 175.10 173.79 1qtt s PRO 52 N -0.13 4.60 -0.38 4.82 0.04 -1.26 -4.84 135.00 137.86 1qtt s PRO 52 Ca 0.02 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 1qtt s PRO 52 Cb -0.02 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1qtt s PRO 52 CO -0.00 0.11 1.04 -0.51 0.04 0.00 0.00 177.00 177.67 1qtt s LEU 53 N -0.66 3.88 0.00 -3.56 1.02 -1.26 -4.99 118.68 113.11 1qtt s LEU 53 Ca 0.48 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.37 1qtt s LEU 53 Cb -0.30 -3.44 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1qtt s LEU 53 CO 0.37 -0.97 0.00 0.61 0.02 0.00 0.00 176.35 176.38 1qtt n GLY 54 N 4.30 -0.35 2.46 -3.19 0.00 -1.26 -4.96 105.19 102.18 1qtt n GLY 54 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1qtt n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qtt n ASP 55 N 0.00 -0.41 -2.76 1.61 8.00 -1.26 -5.06 116.55 116.67 1qtt n ASP 55 Ca 0.00 -1.21 -0.09 0.00 0.71 0.00 0.00 54.79 54.19 1qtt n ASP 55 Cb 0.00 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 40.51 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qtt n ALA 56 N -3.74 -0.85 -2.63 2.24 0.00 -1.26 -4.59 120.51 109.69 1qtt n ALA 56 Ca -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1qtt n ALA 56 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N 0.83 0.00 -3.16 0.00 0.00 -1.26 -5.05 120.51 111.87 1qtt n ALA 57 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 1qtt n ALA 57 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 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 1.78 0.00 0.00 1.74 -1.26 -4.92 116.66 114.01 1qtt n ARG 58 Ca 0.00 -3.95 0.00 0.00 -0.77 0.00 0.00 57.85 53.13 1qtt n ARG 58 Cb 0.00 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 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 0.46 0.00 0.23 5.56 -0.04 -1.26 -3.10 135.00 136.84 1qtt n PRO 59 Ca 0.27 0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.91 1qtt n PRO 59 Cb 0.52 -0.75 0.51 0.00 -0.04 0.00 0.00 33.50 33.74 1qtt n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qtt h SER 60 N 0.00 0.00 -0.14 3.54 0.87 -1.93 1.40 113.55 117.29 1qtt h SER 60 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1qtt h SER 60 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1qtt h SER 60 CO 0.00 0.17 0.11 0.45 -0.53 0.00 0.00 176.83 177.03 1qtt h HIS 61 N 0.00 0.00 0.00 2.24 3.86 -1.92 1.62 115.15 120.95 1qtt h HIS 61 Ca -0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 1qtt h HIS 61 Cb 0.31 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1qtt h HIS 61 CO 0.00 0.00 -1.87 1.28 0.86 0.00 0.00 177.93 178.20 1qtt n LEU 62 N -4.30 0.00 0.07 2.43 4.77 -0.39 -3.69 117.00 115.90 1qtt n LEU 62 Ca 0.00 -0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1qtt n LEU 62 Cb 0.23 0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1qtt n LEU 62 CO 0.33 0.31 0.17 0.25 -1.33 0.00 0.00 177.39 177.13 1qtt h LEU 63 N 0.00 -0.24 0.14 2.23 6.46 0.23 -3.40 115.31 120.74 1qtt h LEU 63 Ca -0.35 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1qtt h LEU 63 Cb 1.78 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 1qtt h LEU 63 CO 0.02 0.26 -0.07 0.74 -0.62 0.00 0.00 178.44 178.77 1qtt h THR 64 N -1.05 0.00 -2.83 1.05 2.02 0.21 -3.48 112.91 108.83 1qtt h THR 64 Ca -0.03 -0.25 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 1qtt h THR 64 Cb 0.31 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1qtt h THR 64 CO 0.05 0.00 -0.29 -1.54 0.37 0.00 0.00 175.52 174.10 1qtt n SER 65 N -3.21 -3.84 0.05 4.18 3.41 -0.49 -4.93 113.62 108.80 1qtt n SER 65 Ca -0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1qtt n SER 65 Cb 0.08 -2.53 0.00 0.00 -0.26 0.00 0.00 64.21 61.50 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 -2.41 0.00 -2.03 4.33 6.02 -1.26 -5.06 117.38 116.96 1qtt n GLN 66 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1qtt n GLN 66 Cb 0.54 -0.25 -0.01 0.00 1.02 0.00 0.00 30.24 31.54 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 -6.38 4.35 0.79 1.08 1.02 -1.26 -5.00 118.68 113.29 1qtt s LEU 67 Ca 0.00 2.76 -0.11 0.00 0.02 0.00 0.00 54.13 56.79 1qtt s LEU 67 Cb 0.00 -3.72 0.07 0.00 0.02 0.00 0.00 46.19 42.56 1qtt s LEU 67 CO 0.00 -0.69 1.09 -2.16 0.02 0.00 0.00 176.35 174.62 1qtt s PRO 68 N -1.97 2.12 0.42 1.29 0.04 -1.26 -4.94 135.00 130.70 1qtt s PRO 68 Ca 0.52 0.66 0.29 0.00 0.04 0.00 0.00 61.00 62.51 1qtt s PRO 68 Cb -0.41 -1.92 1.07 0.00 0.04 0.00 0.00 34.50 33.29 1qtt s PRO 68 CO 0.54 -1.60 1.84 1.25 0.04 0.00 0.00 177.00 179.07 1qtt h LEU 69 N -1.07 0.00 -7.00 -3.56 7.12 -1.94 -3.44 115.31 105.42 1qtt h LEU 69 Ca -0.47 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.51 1qtt h LEU 69 Cb 1.26 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.19 1qtt h LEU 69 CO 0.59 0.00 0.19 -0.32 -0.13 0.00 0.00 178.44 178.77 1qtt s MET 70 N -3.45 0.88 0.17 1.25 1.75 -1.26 -2.39 119.30 116.25 1qtt s MET 70 Ca 0.04 0.67 0.07 0.00 -1.25 0.00 0.00 55.69 55.22 1qtt s MET 70 Cb 0.09 0.43 -0.04 0.00 2.84 0.00 0.00 34.83 38.14 1qtt s MET 70 CO 0.52 -0.18 0.02 -1.58 -0.65 0.00 0.00 175.02 173.15 1qtt s TRP 71 N -0.25 2.90 -0.33 4.11 0.51 -0.81 -3.73 118.94 121.34 1qtt s TRP 71 Ca -0.04 -0.11 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 1qtt s TRP 71 Cb -0.03 -1.41 0.11 0.00 -0.81 0.00 0.00 33.47 31.33 1qtt s TRP 71 CO 0.04 0.52 0.14 -1.14 -0.51 0.00 0.00 176.95 176.00 1qtt s GLN 72 N -2.95 0.70 -0.33 4.98 2.00 0.68 -2.83 119.66 121.91 1qtt s GLN 72 Ca 0.28 -1.18 -0.41 0.00 -2.00 0.00 0.00 55.36 52.06 1qtt s GLN 72 Cb -0.09 -1.83 -0.16 0.00 0.80 0.00 0.00 33.01 31.73 1qtt s GLN 72 CO 0.19 -1.05 1.82 -0.11 -0.50 0.00 0.00 175.29 175.65 1qtt n LEU 73 N 4.59 2.10 0.00 3.68 7.94 0.35 0.62 117.00 136.28 1qtt n LEU 73 Ca 0.01 0.97 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 1qtt n LEU 73 Cb 0.40 -1.11 0.05 0.00 0.53 0.00 0.00 43.42 43.29 1qtt n LEU 73 CO 0.13 -0.54 0.27 -1.22 -1.11 0.00 0.00 177.39 174.92 1qtt n TYR 74 N 6.02 -1.88 -1.55 1.96 4.02 0.22 -4.81 117.16 121.14 1qtt n TYR 74 Ca 0.31 -2.05 -0.30 0.00 -0.01 0.00 0.00 57.90 55.85 1qtt n TYR 74 Cb 0.11 -0.50 0.10 0.00 -0.02 0.00 0.00 39.34 39.03 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 -4.39 1.94 0.00 -0.72 0.04 -1.26 -4.15 135.00 126.46 1qtt s PRO 75 Ca 0.50 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1qtt s PRO 75 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1qtt s PRO 75 CO 0.32 -1.71 0.00 -1.91 0.04 0.00 0.00 177.00 173.74 1qtt n GLU 76 N -3.48 0.00 0.00 4.56 2.13 -1.26 -3.69 120.64 118.89 1qtt n GLU 76 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1qtt n GLU 76 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qtt n GLU 77 N 0.00 0.00 -4.04 5.31 2.13 -1.26 -5.16 120.64 117.62 1qtt n GLU 77 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1qtt n GLU 77 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 0.74 -0.21 5.31 0.52 -1.24 -2.50 118.95 121.57 1qtt s ARG 78 Ca 0.00 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.00 1qtt s ARG 78 Cb 0.00 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.73 1qtt s ARG 78 CO 0.00 -0.19 -0.10 0.71 0.02 0.00 0.00 175.30 175.74 1qtt s TYR 79 N -3.93 2.91 -0.14 -0.53 1.51 0.21 0.72 117.35 118.10 1qtt s TYR 79 Ca 0.10 -1.27 -0.17 0.00 -1.01 0.00 0.00 57.07 54.72 1qtt s TYR 79 Cb 0.07 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1qtt s TYR 79 CO -0.08 -0.66 0.42 1.41 -1.11 0.00 0.00 175.55 175.52 1qtt s MET 80 N 1.39 4.30 0.56 -0.62 -2.45 0.20 0.15 119.30 122.83 1qtt s MET 80 Ca 0.05 0.32 0.10 0.00 -1.25 0.00 0.00 55.69 54.91 1qtt s MET 80 Cb -0.14 -3.45 0.08 0.00 1.25 0.00 0.00 34.83 32.57 1qtt s MET 80 CO -0.07 0.15 0.77 0.16 1.05 0.00 0.00 175.02 177.08 1qtt s ASP 81 N 0.63 5.15 0.00 1.11 1.47 -0.66 0.25 116.67 124.62 1qtt s ASP 81 Ca 0.23 -0.81 0.24 0.00 1.18 0.00 0.00 52.55 53.39 1qtt s ASP 81 Cb -0.14 0.21 0.35 0.00 -0.34 0.00 0.00 42.92 42.99 1qtt s ASP 81 CO 0.08 -1.28 1.35 -3.20 0.68 0.00 0.00 175.17 172.80 1qtt n ASN 82 N -2.20 2.94 0.00 2.11 2.85 -1.24 -3.96 115.26 115.75 1qtt n ASN 82 Ca 0.15 -1.94 0.15 0.00 -0.11 0.00 0.00 54.58 52.82 1qtt n ASN 82 Cb 0.61 -0.07 0.77 0.00 1.24 0.00 0.00 39.78 42.33 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 1.25 0.00 -0.06 1.20 2.85 -1.26 -4.86 115.26 114.38 1qtt n ASN 83 Ca 0.16 -0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1qtt n ASN 83 Cb 0.57 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.32 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 -1.27 -0.69 -4.10 1.20 2.88 -1.25 -5.08 113.62 105.30 1qtt n SER 84 Ca 0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.59 1qtt n SER 84 Cb 0.23 -0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.76 0.63 -0.20 -1.46 0.52 -1.26 -5.06 118.95 109.35 1qtt s ARG 85 Ca 0.00 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1qtt s ARG 85 Cb 0.00 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.42 1qtt s ARG 85 CO 0.00 -0.03 -0.17 -1.17 0.02 0.00 0.00 175.30 173.95 1qtt s LEU 86 N -2.43 2.52 0.03 2.53 1.98 -1.26 -1.66 118.68 120.39 1qtt s LEU 86 Ca 0.01 -0.85 -0.17 0.00 -2.89 0.00 0.00 54.13 50.23 1qtt s LEU 86 Cb -0.00 -1.51 -0.06 0.00 0.66 0.00 0.00 46.19 45.28 1qtt s LEU 86 CO -0.04 -0.05 0.49 0.26 -1.89 0.00 0.00 176.35 175.11 1qtt s TRP 87 N 1.24 3.76 -0.27 5.38 0.52 0.12 -4.12 118.94 125.57 1qtt s TRP 87 Ca 0.01 1.12 -0.11 0.00 0.02 0.00 0.00 56.10 57.14 1qtt s TRP 87 Cb -0.15 -2.40 -0.05 0.00 -1.15 0.00 0.00 33.47 29.72 1qtt s TRP 87 CO -0.11 0.60 0.19 -1.14 0.02 0.00 0.00 176.95 176.51 1qtt s GLN 88 N -1.01 3.97 -0.63 4.98 0.74 1.04 0.66 119.66 129.40 1qtt s GLN 88 Ca 0.26 -0.30 -0.26 0.00 0.05 0.00 0.00 55.36 55.11 1qtt s GLN 88 Cb -0.18 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.19 1qtt s GLN 88 CO 0.16 -0.14 2.40 0.42 -0.55 0.00 0.00 175.29 177.57 1qtt s ILE 89 N 1.66 3.02 0.19 -2.34 -1.09 -1.04 -0.07 121.20 121.53 1qtt s ILE 89 Ca 0.07 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 1qtt s ILE 89 Cb -0.16 -3.04 0.13 0.00 -1.58 0.00 0.00 42.46 37.81 1qtt s ILE 89 CO 0.10 -0.04 1.71 -0.61 -1.23 0.00 0.00 174.94 174.87 1qtt h GLN 90 N 16.33 0.22 -1.32 2.79 -0.00 0.14 -3.44 115.11 129.82 1qtt h GLN 90 Ca -0.13 -0.01 0.14 0.00 -0.00 0.00 0.00 58.65 58.65 1qtt h GLN 90 Cb 1.14 -0.05 -0.30 0.00 0.00 0.00 0.00 27.48 28.28 1qtt h GLN 90 CO 1.09 0.14 0.61 -3.38 0.00 0.00 0.00 178.83 177.30 1qtt s HIS 91 N -6.14 -0.30 -0.17 3.99 -3.43 -1.18 -4.97 115.29 103.10 1qtt s HIS 91 Ca -0.13 0.66 -0.00 0.00 -0.80 0.00 0.00 55.06 54.78 1qtt s HIS 91 Cb 0.16 0.32 0.04 0.00 -1.43 0.00 0.00 32.58 31.67 1qtt s HIS 91 CO 0.73 -0.15 -0.07 -1.58 -2.00 0.00 0.00 174.74 171.67 1qtt s HIS 92 N 0.66 1.92 0.34 0.38 2.46 -1.26 0.10 115.29 119.90 1qtt s HIS 92 Ca -0.02 -1.22 -0.06 0.00 0.47 0.00 0.00 55.06 54.24 1qtt s HIS 92 Cb -0.04 -1.42 0.01 0.00 -0.13 0.00 0.00 32.58 31.00 1qtt s HIS 92 CO -0.12 -0.65 0.53 -0.48 -2.47 0.00 0.00 174.74 171.55 1qtt s LEU 93 N 1.56 0.76 -0.02 8.88 2.34 -1.14 -4.89 118.68 126.17 1qtt s LEU 93 Ca 0.01 -1.36 0.05 0.00 0.06 0.00 0.00 54.13 52.88 1qtt s LEU 93 Cb -0.15 1.74 -0.01 0.00 -0.56 0.00 0.00 46.19 47.21 1qtt s LEU 93 CO -0.08 -1.35 -0.15 -0.32 -1.06 0.00 0.00 176.35 173.39 1qtt s MET 94 N -3.03 1.29 -0.06 1.48 -2.45 -1.26 -0.47 119.30 114.80 1qtt s MET 94 Ca 0.27 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 54.09 1qtt s MET 94 Cb -0.01 -1.23 0.02 0.00 1.25 0.00 0.00 34.83 34.85 1qtt s MET 94 CO 0.17 0.32 0.20 0.08 1.05 0.00 0.00 175.02 176.84 1qtt s VAL 95 N -0.31 0.01 -1.60 10.11 1.01 0.55 -4.81 120.40 125.38 1qtt s VAL 95 Ca 0.05 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1qtt s VAL 95 Cb -0.07 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.13 1qtt s VAL 95 CO -0.00 -0.07 0.75 0.54 0.00 0.00 0.00 175.10 176.32 1qtt n ARG 96 N 2.68 -3.36 -1.94 2.72 5.12 -1.26 0.19 116.66 120.81 1qtt n ARG 96 Ca -0.14 0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 56.03 1qtt n ARG 96 Cb 0.58 -5.14 -0.03 0.00 -1.16 0.00 0.00 32.46 26.71 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 -1.35 0.44 3.05 -0.13 0.00 -1.26 -4.99 105.19 100.94 1qtt n GLY 97 Ca 0.06 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.64 1.13 -0.30 1.61 1.01 0.51 -4.98 120.40 116.74 1qtt s VAL 98 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1qtt s VAL 98 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1qtt s VAL 98 CO 0.00 0.35 0.32 -1.10 0.00 0.00 0.00 175.10 174.66 1qtt s GLN 99 N 0.39 3.81 -0.41 2.72 -0.21 -1.24 0.21 119.66 124.92 1qtt s GLN 99 Ca -0.09 -0.24 -0.08 0.00 0.02 0.00 0.00 55.36 54.97 1qtt s GLN 99 Cb -0.13 -3.72 0.08 0.00 1.00 0.00 0.00 33.01 30.24 1qtt s GLN 99 CO 0.03 -0.35 0.24 -2.00 -2.12 0.00 0.00 175.29 171.08 1qtt s GLU 100 N 1.96 2.51 -0.28 2.91 2.12 0.38 0.12 118.70 128.42 1qtt s GLU 100 Ca 0.11 -1.50 -0.11 0.00 0.36 0.00 0.00 54.97 53.83 1qtt s GLU 100 Cb -0.16 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1qtt s GLU 100 CO 0.11 -0.96 0.19 -1.17 -0.54 0.00 0.00 175.26 172.89 1qtt s LEU 101 N 1.37 4.01 -0.27 2.70 0.20 0.70 -2.87 118.68 124.52 1qtt s LEU 101 Ca 0.03 -0.01 -0.14 0.00 0.69 0.00 0.00 54.13 54.70 1qtt s LEU 101 Cb -0.23 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 1qtt s LEU 101 CO 0.01 -0.05 0.34 -0.76 -0.29 0.00 0.00 176.35 175.61 1qtt s LEU 102 N 1.74 4.04 -0.14 -0.68 1.43 0.12 0.22 118.68 125.40 1qtt s LEU 102 Ca 0.07 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1qtt s LEU 102 Cb -0.16 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1qtt s LEU 102 CO 0.11 -0.15 -0.07 -0.76 0.23 0.00 0.00 176.35 175.70 1qtt s LEU 103 N 1.97 3.08 -0.09 1.79 1.43 -0.89 0.17 118.68 126.13 1qtt s LEU 103 Ca 0.14 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1qtt s LEU 103 Cb -0.16 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1qtt s LEU 103 CO 0.10 0.19 -0.23 -0.75 0.23 0.00 0.00 176.35 175.89 1qtt s LYS 104 N 0.25 2.97 -0.20 1.70 2.47 0.90 0.11 119.74 127.93 1qtt s LYS 104 Ca -0.05 -0.86 -0.04 0.00 -1.56 0.00 0.00 55.97 53.46 1qtt s LYS 104 Cb -0.14 -2.31 -0.02 0.00 -1.46 0.00 0.00 37.83 33.90 1qtt s LYS 104 CO 0.04 0.23 -0.03 -1.17 0.16 0.00 0.00 175.35 174.58 1qtt s LEU 105 N 0.21 3.08 0.28 5.43 2.96 0.21 0.34 118.68 131.20 1qtt s LEU 105 Ca -0.14 -0.28 -0.22 0.00 -0.22 0.00 0.00 54.13 53.27 1qtt s LEU 105 Cb -0.17 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.66 1qtt s LEU 105 CO 0.07 0.05 0.83 -0.76 -1.32 0.00 0.00 176.35 175.22 1qtt s LEU 106 N 1.10 4.31 0.01 -0.68 2.01 -1.26 -3.30 118.68 120.87 1qtt s LEU 106 Ca 0.02 1.60 -0.30 0.00 0.01 0.00 0.00 54.13 55.46 1qtt s LEU 106 Cb -0.15 -3.84 -0.05 0.00 0.01 0.00 0.00 46.19 42.17 1qtt s LEU 106 CO 0.01 -0.04 1.18 -2.16 1.01 0.00 0.00 176.35 176.35 1qtt s PRO 107 N -2.12 4.41 -1.24 1.29 0.04 -1.26 -4.92 135.00 131.20 1qtt s PRO 107 Ca 0.48 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 1qtt s PRO 107 Cb -0.17 -3.44 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 1qtt s PRO 107 CO 0.22 -0.31 1.83 0.34 0.04 0.00 0.00 177.00 179.11 1qtt s ASP 108 N 1.23 6.00 -0.29 6.66 -1.08 -1.26 -4.78 116.67 123.14 1qtt s ASP 108 Ca 0.57 -2.07 -0.25 0.00 -0.52 0.00 0.00 52.55 50.28 1qtt s ASP 108 Cb -0.27 -2.58 0.16 0.00 -1.46 0.00 0.00 42.92 38.77 1qtt s ASP 108 CO 0.26 -2.06 1.26 -0.62 0.52 0.00 0.00 175.17 174.53 1qtt s ASP 109 N 5.29 -0.23 0.06 -0.34 -1.08 -1.26 -5.18 116.67 113.93 1qtt s ASP 109 Ca 0.61 0.45 0.02 0.00 -0.52 0.00 0.00 52.55 53.10 1qtt s ASP 109 Cb 0.02 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.91 1qtt s ASP 109 CO 0.10 -0.08 -0.07 0.00 0.52 0.00 0.00 175.17 175.64 1qtt s ARG 110 N 0.14 0.63 0.00 4.34 1.70 -1.26 -5.12 118.95 119.37 1qtt s ARG 110 Ca 0.05 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1qtt s ARG 110 Cb -0.05 -0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.06 1qtt s ARG 110 CO -0.11 0.03 0.00 0.43 -1.08 0.00 0.00 175.30 174.56 1qtt n SER 111 N 0.96 0.00 -4.74 -2.89 7.64 -1.26 -5.15 113.62 108.18 1qtt n SER 111 Ca -0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 1qtt n SER 111 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 4.58 0.00 1.43 0.04 -1.26 -5.04 135.00 134.75 1qtt s PRO 112 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1qtt s PRO 112 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1qtt s PRO 112 CO 0.00 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1qtt n GLY 113 N 2.01 7.43 3.02 0.56 0.00 -1.26 -5.17 105.19 111.79 1qtt n GLY 113 Ca 0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 1qtt n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 114 N 1.08 0.30 -0.29 -0.61 1.01 -1.26 -5.15 121.20 116.29 1qtt s ILE 114 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 1qtt s ILE 114 Cb 0.00 -0.48 0.14 0.00 0.01 0.00 0.00 42.46 42.13 1qtt s ILE 114 CO 0.00 -0.48 0.97 -2.28 0.00 0.00 0.00 174.94 173.15 1qtt s HIS 115 N -1.57 -0.58 -0.11 3.97 5.65 -1.26 -5.17 115.29 116.23 1qtt s HIS 115 Ca -0.12 1.18 -0.07 0.00 0.25 0.00 0.00 55.06 56.30 1qtt s HIS 115 Cb -0.09 0.36 0.04 0.00 -1.18 0.00 0.00 32.58 31.71 1qtt s HIS 115 CO -0.01 -0.29 0.27 0.50 -0.65 0.00 0.00 174.74 174.57 1qtt s ARG 116 N 1.23 0.25 0.00 2.88 6.06 -1.26 -5.37 118.95 122.75 1qtt s ARG 116 Ca -0.08 0.52 0.00 0.00 -2.50 0.00 0.00 55.73 53.68 1qtt s ARG 116 Cb -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 34.95 34.93 1qtt s ARG 116 CO -0.14 -0.13 0.00 -3.47 -2.50 0.00 0.00 175.30 169.06