#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtn s ARG 2 N 0.00 4.51 -0.25 0.03 1.70 -0.22 -4.61 118.95 120.11 2qtn s ARG 2 Ca 0.00 1.98 -0.19 0.00 -0.47 0.00 0.00 55.73 57.06 2qtn s ARG 2 Cb 0.00 -3.14 -0.03 0.00 -0.57 0.00 0.00 34.95 31.21 2qtn s ARG 2 CO 0.00 0.02 0.55 0.15 -1.08 0.00 0.00 175.30 174.95 2qtn s LYS 3 N -1.50 4.10 -0.05 3.89 1.02 -1.26 -1.25 119.74 124.70 2qtn s LYS 3 Ca 0.47 0.41 0.05 0.00 0.02 0.00 0.00 55.97 56.92 2qtn s LYS 3 Cb -0.35 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2qtn s LYS 3 CO 0.46 -0.34 -0.20 0.42 -0.92 0.00 0.00 175.35 174.77 2qtn s ILE 4 N 2.26 1.68 0.06 2.17 1.01 -0.78 -0.34 121.20 127.26 2qtn s ILE 4 Ca 0.23 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2qtn s ILE 4 Cb -0.16 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2qtn s ILE 4 CO 0.09 0.47 0.30 -0.83 0.00 0.00 0.00 174.94 174.98 2qtn s GLY 5 N -0.04 2.25 -0.02 6.18 0.00 -0.04 -1.03 107.32 114.63 2qtn s GLY 5 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.12 2qtn s GLY 5 CO 0.03 -0.45 -0.10 -0.26 0.00 0.00 0.00 173.10 172.32 2qtn s ILE 6 N -1.43 0.80 -0.22 0.90 -5.25 -0.19 -0.06 121.20 115.74 2qtn s ILE 6 Ca 0.33 -0.40 0.02 0.00 -0.99 0.00 0.00 60.65 59.61 2qtn s ILE 6 Cb -0.13 -0.69 0.04 0.00 2.95 0.00 0.00 42.46 44.63 2qtn s ILE 6 CO 0.20 0.24 -0.13 -0.63 -1.79 0.00 0.00 174.94 172.83 2qtn s ILE 7 N -0.00 1.93 0.33 8.37 1.01 -0.22 -1.02 121.20 131.61 2qtn s ILE 7 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 60.65 59.49 2qtn s ILE 7 Cb -0.06 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2qtn s ILE 7 CO 0.00 0.18 0.42 -0.83 0.00 0.00 0.00 174.94 174.71 2qtn s GLY 8 N 1.26 1.64 0.00 6.18 0.00 -1.26 -1.55 107.32 113.59 2qtn s GLY 8 Ca -0.03 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2qtn s GLY 8 CO -0.08 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.20 2qtn n GLY 9 N -1.56 -0.01 0.12 0.20 0.00 -1.10 -4.94 105.19 97.91 2qtn n GLY 9 Ca -0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 2qtn n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtn h THR 10 N 3.33 1.51 -6.00 2.61 1.35 -1.91 -2.32 112.91 111.49 2qtn h THR 10 Ca 0.00 -2.60 -0.40 0.00 -0.55 0.00 0.00 66.41 62.87 2qtn h THR 10 Cb 0.00 2.43 0.08 0.00 -1.73 0.00 0.00 68.15 68.93 2qtn h THR 10 CO 0.00 0.75 -0.84 0.49 -0.25 0.00 0.00 175.52 175.67 2qtn n PHE 11 N -3.66 -1.99 -3.25 4.73 3.01 -1.26 -4.72 117.46 110.33 2qtn n PHE 11 Ca -0.02 0.80 -0.25 0.00 1.01 0.00 0.00 57.45 58.99 2qtn n PHE 11 Cb 0.77 -4.31 -0.07 0.00 -0.01 0.00 0.00 39.48 35.87 2qtn n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2qtn n ASP 12 N -3.03 1.25 -4.98 4.37 4.64 -1.26 -3.52 116.55 114.02 2qtn n ASP 12 Ca -0.25 -2.93 -0.19 0.00 -1.38 0.00 0.00 54.79 50.04 2qtn n ASP 12 Cb 0.66 -0.65 0.03 0.00 -1.04 0.00 0.00 41.12 40.13 2qtn n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2qtn s PRO 13 N -1.62 2.58 0.55 -0.67 0.04 -1.26 -4.62 135.00 130.00 2qtn s PRO 13 Ca 0.37 -1.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.14 2qtn s PRO 13 Cb 0.17 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 2qtn s PRO 13 CO -0.08 -0.58 1.01 -1.25 0.04 0.00 0.00 177.00 176.14 2qtn s PRO 14 N -4.59 3.72 0.36 0.56 0.04 -1.23 -4.45 135.00 129.41 2qtn s PRO 14 Ca 0.57 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 2qtn s PRO 14 Cb -0.09 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2qtn s PRO 14 CO 0.36 -0.47 0.50 -3.38 0.04 0.00 0.00 177.00 174.06 2qtn s HIS 15 N -2.65 1.07 0.50 0.56 -3.43 -1.26 -4.73 115.29 105.35 2qtn s HIS 15 Ca 0.60 -1.32 0.36 0.00 -0.80 0.00 0.00 55.06 53.90 2qtn s HIS 15 Cb -0.12 -0.04 1.91 0.00 -1.43 0.00 0.00 32.58 32.90 2qtn s HIS 15 CO 0.36 -1.19 2.22 1.88 -2.00 0.00 0.00 174.74 176.01 2qtn h TYR 16 N 2.07 0.00 -0.27 0.38 -1.99 -1.78 -0.52 116.97 114.86 2qtn h TYR 16 Ca -0.28 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.35 2qtn h TYR 16 Cb 1.24 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.96 2qtn h TYR 16 CO 1.62 0.03 -0.24 0.78 -0.00 0.00 0.00 178.16 180.35 2qtn h GLY 17 N 0.53 0.55 0.77 3.88 0.00 -1.83 0.22 103.07 107.18 2qtn h GLY 17 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2qtn h GLY 17 CO 0.00 0.41 -0.22 0.45 0.00 0.00 0.00 176.54 177.18 2qtn h HIS 18 N 0.45 0.51 0.07 5.60 3.86 -1.46 -1.92 115.15 122.26 2qtn h HIS 18 Ca 0.07 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2qtn h HIS 18 Cb 0.66 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2qtn h HIS 18 CO 0.02 0.85 -0.03 -0.07 0.86 0.00 0.00 177.93 179.56 2qtn h LEU 19 N 0.03 -0.08 -0.20 2.43 3.38 -1.34 -1.49 115.31 118.04 2qtn h LEU 19 Ca 0.01 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2qtn h LEU 19 Cb 0.80 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2qtn h LEU 19 CO 0.05 0.20 -0.10 0.25 0.09 0.00 0.00 178.44 178.93 2qtn h LEU 20 N -0.35 -0.33 -0.57 1.67 5.85 -0.62 0.15 115.31 121.10 2qtn h LEU 20 Ca -0.01 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2qtn h LEU 20 Cb 0.31 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2qtn h LEU 20 CO 0.01 -0.13 0.31 0.40 -0.34 0.00 0.00 178.44 178.69 2qtn h ILE 21 N -0.08 0.97 -0.05 4.05 2.04 -1.30 0.13 117.51 123.27 2qtn h ILE 21 Ca 0.11 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qtn h ILE 21 Cb 0.24 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2qtn h ILE 21 CO -0.25 0.11 0.03 0.00 0.00 0.00 0.00 178.15 178.04 2qtn h ALA 22 N 1.30 0.06 0.34 1.87 0.00 -0.45 -1.86 119.26 120.52 2qtn h ALA 22 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2qtn h ALA 22 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qtn h ALA 22 CO -0.16 -0.43 -0.22 -0.97 0.00 0.00 0.00 179.25 177.47 2qtn h ASN 23 N 0.04 -0.55 -0.29 0.00 -1.24 -0.22 0.07 115.58 113.39 2qtn h ASN 23 Ca 0.02 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.11 2qtn h ASN 23 Cb 0.02 0.17 -0.08 0.00 0.73 0.00 0.00 38.32 39.16 2qtn h ASN 23 CO -0.00 -0.35 -0.48 -0.33 -1.29 0.00 0.00 177.43 174.98 2qtn h GLU 24 N -0.54 -0.42 -0.49 6.67 4.39 -0.66 -1.82 114.58 121.71 2qtn h GLU 24 Ca -0.03 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2qtn h GLU 24 Cb 0.45 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2qtn h GLU 24 CO 0.03 -0.28 0.06 0.28 -1.16 0.00 0.00 179.01 177.94 2qtn h VAL 25 N -0.44 1.23 -0.42 3.13 2.07 -1.28 0.47 116.25 121.02 2qtn h VAL 25 Ca 0.09 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.81 2qtn h VAL 25 Cb 0.62 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2qtn h VAL 25 CO -0.51 0.32 -0.10 0.22 0.02 0.00 0.00 177.57 177.51 2qtn h TYR 26 N 0.74 -0.22 0.10 1.57 3.20 -0.20 -2.18 116.97 119.98 2qtn h TYR 26 Ca 0.16 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.78 2qtn h TYR 26 Cb 0.36 0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.81 2qtn h TYR 26 CO 0.02 -0.18 -1.18 0.45 -1.64 0.00 0.00 178.16 175.63 2qtn h HIS 27 N -0.00 0.82 -0.83 -3.82 3.86 -1.05 -1.80 115.15 112.33 2qtn h HIS 27 Ca 0.20 -0.52 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 2qtn h HIS 27 Cb 0.30 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2qtn h HIS 27 CO -0.37 1.37 0.41 0.00 0.86 0.00 0.00 177.93 180.20 2qtn h ALA 28 N 0.45 1.07 -0.29 2.45 0.00 -0.53 -3.05 119.26 119.35 2qtn h ALA 28 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qtn h ALA 28 Cb 1.86 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2qtn h ALA 28 CO 0.22 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.37 2qtn n LEU 29 N -4.34 3.04 -3.53 0.00 4.77 -0.85 -5.03 117.00 111.05 2qtn n LEU 29 Ca 0.08 -2.25 -0.29 0.00 -0.03 0.00 0.00 56.01 53.52 2qtn n LEU 29 Cb 0.13 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2qtn n LEU 29 CO 0.39 0.70 -0.20 0.59 -1.33 0.00 0.00 177.39 177.54 2qtn n ASN 30 N 0.15 -5.60 -4.95 -1.43 4.13 -0.94 -4.98 115.26 101.65 2qtn n ASN 30 Ca 0.13 -0.39 -0.23 0.00 1.68 0.00 0.00 54.58 55.76 2qtn n ASN 30 Cb 0.52 -2.19 -0.01 0.00 -1.54 0.00 0.00 39.78 36.56 2qtn n ASN 30 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2qtn s LEU 31 N -3.48 3.91 0.11 3.41 1.43 -0.72 -4.90 118.68 118.45 2qtn s LEU 31 Ca 0.21 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 2qtn s LEU 31 Cb -0.03 -3.25 -0.13 0.00 0.03 0.00 0.00 46.19 42.82 2qtn s LEU 31 CO 0.87 -0.41 1.28 -0.33 0.23 0.00 0.00 176.35 177.99 2qtn h GLU 32 N 0.66 0.52 -1.95 1.70 4.39 -1.03 -3.48 114.58 115.38 2qtn h GLU 32 Ca -0.49 -0.54 0.26 0.00 0.34 0.00 0.00 59.36 58.93 2qtn h GLU 32 Cb 1.23 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.94 2qtn h GLU 32 CO 0.60 1.17 0.69 -1.83 -1.16 0.00 0.00 179.01 178.48 2qtn s GLU 33 N -3.33 0.78 -0.06 2.33 -1.05 -1.25 -4.90 118.70 111.21 2qtn s GLU 33 Ca -0.07 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.33 2qtn s GLU 33 Cb 0.08 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2qtn s GLU 33 CO 0.88 -0.36 -0.18 0.08 0.95 0.00 0.00 175.26 176.63 2qtn s VAL 34 N -2.62 1.57 -0.12 1.83 1.01 -0.51 -0.86 120.40 120.70 2qtn s VAL 34 Ca 0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2qtn s VAL 34 Cb 0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2qtn s VAL 34 CO -0.00 0.45 0.01 0.26 0.00 0.00 0.00 175.10 175.81 2qtn s TRP 35 N 0.24 3.16 -0.34 5.22 0.51 0.91 -1.93 118.94 126.71 2qtn s TRP 35 Ca -0.10 0.06 -0.14 0.00 -2.12 0.00 0.00 56.10 53.80 2qtn s TRP 35 Cb -0.14 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.61 2qtn s TRP 35 CO 0.04 0.29 0.29 -0.06 -0.51 0.00 0.00 176.95 177.01 2qtn s PHE 36 N -0.33 3.22 -0.50 -1.98 0.40 0.14 -1.05 117.98 117.88 2qtn s PHE 36 Ca 0.07 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.18 2qtn s PHE 36 Cb -0.12 -2.56 0.13 0.00 0.51 0.00 0.00 43.02 40.97 2qtn s PHE 36 CO 0.02 -0.39 0.37 -1.17 0.70 0.00 0.00 175.22 174.75 2qtn s LEU 37 N 1.85 5.71 0.22 -0.37 2.96 -0.59 -0.22 118.68 128.24 2qtn s LEU 37 Ca 0.09 -2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 2qtn s LEU 37 Cb -0.17 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.43 2qtn s LEU 37 CO 0.11 -0.67 1.18 -2.84 -1.32 0.00 0.00 176.35 172.82 2qtn s PRO 38 N 1.21 4.52 0.46 0.98 0.02 -1.25 -2.70 135.00 138.24 2qtn s PRO 38 Ca 0.07 1.89 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 2qtn s PRO 38 Cb -0.25 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 2qtn s PRO 38 CO -0.01 -0.02 0.73 0.54 -0.33 0.00 0.00 177.00 177.90 2qtn s ASN 39 N -0.16 6.03 0.67 2.53 6.03 -0.87 -4.17 114.94 125.00 2qtn s ASN 39 Ca 0.50 0.62 -0.14 0.00 -1.03 0.00 0.00 52.86 52.82 2qtn s ASN 39 Cb -0.33 -1.91 0.00 0.00 -3.03 0.00 0.00 41.25 35.98 2qtn s ASN 39 CO 0.39 -0.64 1.08 -1.58 -2.03 0.00 0.00 177.10 174.33 2qtn s GLN 40 N -4.65 2.86 -0.20 3.55 2.00 -1.26 -4.86 119.66 117.11 2qtn s GLN 40 Ca 0.47 1.23 -0.29 0.00 -2.00 0.00 0.00 55.36 54.77 2qtn s GLN 40 Cb -0.10 -1.97 -0.01 0.00 0.80 0.00 0.00 33.01 31.73 2qtn s GLN 40 CO 0.41 -1.18 1.34 0.42 -0.50 0.00 0.00 175.29 175.78 2qtn s ILE 41 N -2.58 4.13 0.98 -2.34 1.01 -1.26 -4.62 121.20 116.51 2qtn s ILE 41 Ca 0.64 1.33 -0.12 0.00 0.00 0.00 0.00 60.65 62.50 2qtn s ILE 41 Cb -0.18 -3.97 0.18 0.00 0.01 0.00 0.00 42.46 38.50 2qtn s ILE 41 CO 0.45 -0.24 1.08 -2.84 0.00 0.00 0.00 174.94 173.40 2qtn s PRO 42 N 3.84 0.59 0.52 2.79 0.02 -1.26 -4.53 135.00 136.97 2qtn s PRO 42 Ca 0.58 0.79 -0.20 0.00 0.02 0.00 0.00 61.00 62.20 2qtn s PRO 42 Cb -0.22 -1.73 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 2qtn s PRO 42 CO 0.19 -2.69 1.09 -2.14 -0.33 0.00 0.00 177.00 173.12 2qtn s PRO 43 N -4.83 3.54 -0.51 5.54 0.02 -1.26 -4.06 135.00 133.44 2qtn s PRO 43 Ca 0.65 1.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 2qtn s PRO 43 Cb -0.20 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2qtn s PRO 43 CO 0.59 -0.67 0.28 0.72 -0.33 0.00 0.00 177.00 177.58 2qtn n HIS 44 N -1.17 -0.79 0.00 6.54 8.25 -1.26 -4.95 115.22 121.85 2qtn n HIS 44 Ca 0.11 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2qtn n HIS 44 Cb 0.52 -2.27 0.00 0.00 1.12 0.00 0.00 29.99 29.36 2qtn n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qtn n LYS 45 N -1.93 0.85 0.00 -0.41 4.76 -1.26 -4.65 118.16 115.53 2qtn n LYS 45 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2qtn n LYS 45 Cb 0.53 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2qtn n LYS 45 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2qtn n GLN 46 N -1.56 0.66 0.00 1.97 3.00 -1.26 -3.56 117.38 116.62 2qtn n GLN 46 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2qtn n GLN 46 Cb 0.09 -1.27 0.40 0.00 0.00 0.00 0.00 30.24 29.46 2qtn n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qtn n GLY 47 N 0.35 -1.19 0.00 1.08 0.00 -1.26 -4.88 105.19 99.28 2qtn n GLY 47 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2qtn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtn n ARG 48 N -1.33 2.05 -3.43 1.61 5.12 -1.23 -5.10 116.66 114.34 2qtn n ARG 48 Ca 0.08 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.59 2qtn n ARG 48 Cb 0.33 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.53 2qtn n ARG 48 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qtn s ASP 49 N 0.92 6.15 0.02 0.55 2.15 -1.26 -5.06 116.67 120.14 2qtn s ASP 49 Ca 0.00 -0.33 0.07 0.00 0.43 0.00 0.00 52.55 52.72 2qtn s ASP 49 Cb 0.00 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 2qtn s ASP 49 CO 0.00 -0.33 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.85 2qtn s ILE 50 N 1.93 2.66 0.26 4.11 1.09 -1.26 -5.00 121.20 124.99 2qtn s ILE 50 Ca 0.10 -1.12 -0.31 0.00 -1.10 0.00 0.00 60.65 58.22 2qtn s ILE 50 Cb -0.17 -2.07 -0.12 0.00 -1.06 0.00 0.00 42.46 39.04 2qtn s ILE 50 CO 0.11 0.42 1.65 -0.89 -0.10 0.00 0.00 174.94 176.13 2qtn s THR 51 N -0.83 2.04 0.58 2.92 2.01 -1.26 -4.97 115.64 116.13 2qtn s THR 51 Ca 0.13 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 2qtn s THR 51 Cb -0.10 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2qtn s THR 51 CO 0.03 0.00 1.04 -0.94 -0.69 0.00 0.00 174.62 174.06 2qtn s SER 52 N 0.77 5.99 0.32 3.53 1.04 -1.26 -4.91 113.70 119.18 2qtn s SER 52 Ca 0.68 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.86 2qtn s SER 52 Cb -0.49 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 63.79 2qtn s SER 52 CO 0.42 -1.02 1.86 0.58 0.98 0.00 0.00 173.24 176.05 2qtn h VAL 53 N 0.41 0.90 -0.72 5.02 2.07 -1.99 -2.13 116.25 119.80 2qtn h VAL 53 Ca -0.46 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 66.89 2qtn h VAL 53 Cb 1.21 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 2qtn h VAL 53 CO 0.59 0.16 0.28 -0.33 0.02 0.00 0.00 177.57 178.28 2qtn h GLU 54 N 0.86 0.41 -0.19 1.57 3.07 -1.99 -0.41 114.58 117.91 2qtn h GLU 54 Ca 0.46 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.18 2qtn h GLU 54 Cb 0.55 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2qtn h GLU 54 CO -0.22 0.27 -0.32 0.77 -1.40 0.00 0.00 179.01 178.11 2qtn h SER 55 N 0.43 0.61 -0.92 1.42 0.02 -1.76 -1.91 113.55 111.43 2qtn h SER 55 Ca 0.39 -0.53 0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2qtn h SER 55 Cb 0.58 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2qtn h SER 55 CO -0.39 1.03 0.59 0.03 -1.14 0.00 0.00 176.83 176.95 2qtn h ARG 56 N 0.21 0.94 -0.51 3.45 3.08 -1.12 0.18 114.38 120.62 2qtn h ARG 56 Ca 0.01 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2qtn h ARG 56 Cb 0.91 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2qtn h ARG 56 CO 0.07 0.62 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.38 2qtn h LEU 57 N 0.97 0.99 -0.37 3.04 -0.00 -0.98 -1.15 115.31 117.79 2qtn h LEU 57 Ca 0.42 -0.34 -0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2qtn h LEU 57 Cb 0.33 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2qtn h LEU 57 CO -0.17 1.12 -0.05 1.56 -0.00 0.00 0.00 178.44 180.90 2qtn h GLN 58 N 0.86 0.69 -0.29 1.13 1.08 -0.32 -1.18 115.11 117.09 2qtn h GLN 58 Ca 0.13 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 2qtn h GLN 58 Cb 0.70 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2qtn h GLN 58 CO 0.05 0.82 -0.04 0.52 -0.95 0.00 0.00 178.83 179.23 2qtn h MET 59 N 0.50 0.46 -0.16 1.46 2.86 -0.62 -1.98 114.93 117.44 2qtn h MET 59 Ca 0.10 -0.10 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2qtn h MET 59 Cb 0.54 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2qtn h MET 59 CO 0.03 0.52 -0.42 -0.07 1.06 0.00 0.00 176.91 178.03 2qtn h LEU 60 N 0.44 0.40 -0.37 1.22 3.38 -0.87 -1.68 115.31 117.83 2qtn h LEU 60 Ca 0.09 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 2qtn h LEU 60 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qtn h LEU 60 CO 0.01 0.78 -0.72 -0.08 0.09 0.00 0.00 178.44 178.52 2qtn h GLU 61 N 0.31 0.49 -0.11 1.13 4.57 -0.85 -2.31 114.58 117.82 2qtn h GLU 61 Ca 0.03 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2qtn h GLU 61 Cb 0.87 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2qtn h GLU 61 CO 0.07 1.02 0.06 -0.07 -1.18 0.00 0.00 179.01 178.91 2qtn h LEU 62 N 0.34 0.09 -1.37 1.64 4.07 -1.14 0.23 115.31 119.17 2qtn h LEU 62 Ca -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2qtn h LEU 62 Cb 1.31 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 2qtn h LEU 62 CO 0.13 0.07 -0.31 0.00 -1.08 0.00 0.00 178.44 177.25 2qtn h ALA 63 N 1.05 1.39 -0.04 1.53 0.00 -1.28 -3.29 119.26 118.62 2qtn h ALA 63 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qtn h ALA 63 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qtn h ALA 63 CO -0.02 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.87 2qtn n THR 64 N -4.04 0.24 0.29 0.00 -2.24 -0.87 -4.63 114.28 103.03 2qtn n THR 64 Ca -0.02 -0.62 0.16 0.00 -2.27 0.00 0.00 64.05 61.30 2qtn n THR 64 Cb 0.37 0.96 0.87 0.00 -2.10 0.00 0.00 70.33 70.42 2qtn n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2qtn h GLU 65 N 1.01 0.00 -0.00 -0.78 4.11 -0.60 -2.14 114.58 116.18 2qtn h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qtn h GLU 65 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qtn h GLU 65 CO 0.00 0.06 -0.06 0.00 0.07 0.00 0.00 179.01 179.08 2qtn n ALA 66 N -2.22 2.66 -4.02 1.06 0.00 -1.26 -4.75 120.51 111.98 2qtn n ALA 66 Ca -0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 2qtn n ALA 66 Cb 0.18 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 2qtn n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qtn s GLU 67 N -2.45 3.02 0.26 0.00 8.01 -0.81 -4.98 118.70 121.75 2qtn s GLU 67 Ca 0.31 -0.82 -0.03 0.00 0.01 0.00 0.00 54.97 54.44 2qtn s GLU 67 Cb 0.20 -2.65 0.33 0.00 -4.31 0.00 0.00 34.13 27.70 2qtn s GLU 67 CO 0.46 -0.22 1.80 1.49 0.01 0.00 0.00 175.26 178.79 2qtn h GLU 68 N 7.96 0.90 -0.02 1.61 4.57 -1.85 -2.78 114.58 124.98 2qtn h GLU 68 Ca -0.44 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 2qtn h GLU 68 Cb 1.14 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2qtn h GLU 68 CO 0.63 0.81 0.00 -2.39 -1.18 0.00 0.00 179.01 176.88 2qtn n HIS 69 N -4.26 0.02 -3.92 0.92 1.44 -1.26 -4.70 115.22 103.46 2qtn n HIS 69 Ca 0.04 -0.01 -0.35 0.00 -2.01 0.00 0.00 57.72 55.39 2qtn n HIS 69 Cb 0.24 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.21 2qtn n HIS 69 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qtn s PHE 70 N -1.98 3.06 0.32 -1.40 2.99 -1.05 -1.42 117.98 118.50 2qtn s PHE 70 Ca 0.33 -1.36 0.06 0.00 0.00 0.00 0.00 56.93 55.97 2qtn s PHE 70 Cb 0.16 -2.10 -0.06 0.00 0.00 0.00 0.00 43.02 41.01 2qtn s PHE 70 CO 0.26 -0.68 -0.03 -1.12 -0.00 0.00 0.00 175.22 173.66 2qtn s SER 71 N 1.38 3.02 -0.14 1.36 0.01 -0.82 -4.85 113.70 113.66 2qtn s SER 71 Ca 0.02 -1.27 -0.07 0.00 1.31 0.00 0.00 55.95 55.94 2qtn s SER 71 Cb -0.16 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2qtn s SER 71 CO -0.03 -0.40 0.11 -0.63 0.41 0.00 0.00 173.24 172.69 2qtn s ILE 72 N -2.96 5.22 -0.23 1.44 1.01 -1.26 0.24 121.20 124.65 2qtn s ILE 72 Ca 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 2qtn s ILE 72 Cb 0.06 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2qtn s ILE 72 CO 0.14 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.57 2qtn n LEU 74 N 4.70 3.10 -0.30 0.00 7.99 -1.26 -3.80 117.00 127.44 2qtn n LEU 74 Ca -0.17 -1.56 0.09 0.00 -0.01 0.00 0.00 56.01 54.35 2qtn n LEU 74 Cb 0.48 -0.42 0.24 0.00 -0.11 0.00 0.00 43.42 43.61 2qtn n LEU 74 CO 0.27 0.60 1.08 -0.08 -1.51 0.00 0.00 177.39 177.75 2qtn h GLU 75 N 2.76 0.54 0.00 3.23 4.57 -1.94 -0.80 114.58 122.94 2qtn h GLU 75 Ca 0.00 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 2qtn h GLU 75 Cb 0.92 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2qtn h GLU 75 CO 0.11 0.36 -0.82 0.93 -1.18 0.00 0.00 179.01 178.40 2qtn h GLU 76 N 0.55 0.00 0.00 1.92 5.08 -1.81 -3.05 114.58 117.28 2qtn h GLU 76 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2qtn h GLU 76 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qtn h GLU 76 CO -0.41 0.82 0.00 -0.07 -1.00 0.00 0.00 179.01 178.35 2qtn h LEU 77 N 0.00 0.00 0.00 1.33 3.38 -1.46 -3.07 115.31 115.49 2qtn h LEU 77 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qtn h LEU 77 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2qtn h LEU 77 CO 0.11 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 2qtn n SER 78 N -2.61 0.00 -4.08 -0.43 3.41 -0.40 -4.79 113.62 104.72 2qtn n SER 78 Ca 0.03 -0.70 -0.11 0.00 -0.26 0.00 0.00 58.87 57.83 2qtn n SER 78 Cb 0.38 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 2qtn n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtn s ARG 79 N -2.10 1.38 0.87 4.33 1.70 -1.16 -5.11 118.95 118.87 2qtn s ARG 79 Ca 0.37 -1.47 -0.12 0.00 -0.47 0.00 0.00 55.73 54.05 2qtn s ARG 79 Cb 0.18 0.36 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 2qtn s ARG 79 CO 0.32 -0.52 1.09 -1.59 -1.08 0.00 0.00 175.30 173.53 2qtn s LYS 80 N -4.06 1.46 0.54 3.89 -2.85 -1.26 -4.86 119.74 112.60 2qtn s LYS 80 Ca 0.31 0.75 0.06 0.00 -1.00 0.00 0.00 55.97 56.09 2qtn s LYS 80 Cb 0.03 -1.84 0.06 0.00 -2.06 0.00 0.00 37.83 34.03 2qtn s LYS 80 CO 0.11 -2.08 0.51 0.41 0.10 0.00 0.00 175.35 174.40 2qtn n GLY 81 N -1.43 2.52 3.64 0.59 0.00 -1.26 -4.64 105.19 104.61 2qtn n GLY 81 Ca 0.07 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 2qtn n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qtn s PRO 82 N -4.30 0.62 -0.58 1.61 0.02 -1.26 -4.79 135.00 126.32 2qtn s PRO 82 Ca 0.39 1.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.29 2qtn s PRO 82 Cb -0.03 -1.72 0.12 0.00 0.02 0.00 0.00 34.50 32.89 2qtn s PRO 82 CO 0.25 -2.75 0.61 -1.12 -0.33 0.00 0.00 177.00 173.66 2qtn s SER 83 N -2.95 6.21 -0.13 2.53 0.01 -1.26 -4.99 113.70 113.12 2qtn s SER 83 Ca 0.66 -1.67 -0.25 0.00 1.31 0.00 0.00 55.95 55.99 2qtn s SER 83 Cb -0.21 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2qtn s SER 83 CO 0.59 -0.96 0.82 -0.31 0.41 0.00 0.00 173.24 173.79 2qtn s TYR 84 N 2.03 3.47 0.40 2.43 2.02 -1.26 -4.94 117.35 121.51 2qtn s TYR 84 Ca 0.08 1.30 0.13 0.00 -0.37 0.00 0.00 57.07 58.21 2qtn s TYR 84 Cb -0.26 -2.99 0.97 0.00 -0.40 0.00 0.00 41.96 39.28 2qtn s TYR 84 CO 0.04 -0.16 1.90 1.15 -1.57 0.00 0.00 175.55 176.92 2qtn h THR 85 N 5.07 0.81 -0.09 -0.71 2.02 -1.96 -1.37 112.91 116.69 2qtn h THR 85 Ca -0.33 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2qtn h THR 85 Cb 1.15 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2qtn h THR 85 CO 0.81 0.09 0.06 0.22 0.37 0.00 0.00 175.52 177.07 2qtn h TYR 86 N 0.51 0.11 -0.61 3.16 5.03 -1.92 0.11 116.97 123.38 2qtn h TYR 86 Ca 0.39 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.71 2qtn h TYR 86 Cb 0.79 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.00 2qtn h TYR 86 CO -0.00 0.08 0.40 -0.44 -1.32 0.00 0.00 178.16 176.88 2qtn h ASP 87 N 0.11 0.70 0.56 -2.11 3.45 -1.64 -2.09 116.42 115.40 2qtn h ASP 87 Ca 0.03 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.45 2qtn h ASP 87 Cb -0.01 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 38.59 2qtn h ASP 87 CO -0.01 0.51 -0.27 0.74 -1.57 0.00 0.00 179.24 178.64 2qtn h THR 88 N 0.82 0.45 -0.23 0.35 2.02 -1.05 -2.67 112.91 112.61 2qtn h THR 88 Ca 0.22 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.43 2qtn h THR 88 Cb -0.09 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2qtn h THR 88 CO -0.05 0.00 0.16 0.24 0.37 0.00 0.00 175.52 176.24 2qtn h MET 89 N -0.76 0.13 -0.79 6.66 2.86 -0.68 0.12 114.93 122.48 2qtn h MET 89 Ca -0.08 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2qtn h MET 89 Cb 0.58 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2qtn h MET 89 CO 0.13 0.09 0.33 1.25 1.06 0.00 0.00 176.91 179.76 2qtn h LEU 90 N 0.13 1.08 -0.07 1.22 7.12 -1.13 0.18 115.31 123.85 2qtn h LEU 90 Ca 0.10 -0.17 -0.25 0.00 0.13 0.00 0.00 57.88 57.69 2qtn h LEU 90 Cb 0.23 -0.28 0.02 0.00 -0.53 0.00 0.00 40.66 40.10 2qtn h LEU 90 CO -0.01 0.95 -0.94 1.56 -0.13 0.00 0.00 178.44 179.87 2qtn h GLN 91 N 1.14 0.73 -0.05 1.25 1.08 -0.71 -2.97 115.11 115.58 2qtn h GLN 91 Ca 0.27 -0.71 -0.12 0.00 -1.45 0.00 0.00 58.65 56.63 2qtn h GLN 91 Cb 0.20 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2qtn h GLN 91 CO -0.02 1.30 -0.52 -0.07 -0.95 0.00 0.00 178.83 178.56 2qtn h LEU 92 N 0.45 0.16 -0.86 1.46 3.38 -0.89 -0.56 115.31 118.45 2qtn h LEU 92 Ca -0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2qtn h LEU 92 Cb 1.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2qtn h LEU 92 CO 0.19 0.66 -0.31 0.74 0.09 0.00 0.00 178.44 179.80 2qtn h THR 93 N 0.12 1.28 -0.08 0.22 2.02 -0.70 0.41 112.91 116.19 2qtn h THR 93 Ca 0.00 -1.38 -0.23 0.00 0.77 0.00 0.00 66.41 65.57 2qtn h THR 93 Cb 0.97 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2qtn h THR 93 CO 0.08 0.44 -0.87 0.11 0.37 0.00 0.00 175.52 175.64 2qtn h LYS 94 N 0.41 0.66 -0.17 6.66 1.57 -1.33 -3.10 116.57 121.28 2qtn h LYS 94 Ca 0.05 -0.61 -0.16 0.00 -1.87 0.00 0.00 60.65 58.07 2qtn h LYS 94 Cb 0.75 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2qtn h LYS 94 CO 0.06 1.22 -0.55 0.87 -0.57 0.00 0.00 179.45 180.47 2qtn h LYS 95 N 0.42 0.51 -2.72 3.15 1.57 -0.91 -3.38 116.57 115.21 2qtn h LYS 95 Ca -0.08 -0.32 -0.61 0.00 -1.87 0.00 0.00 60.65 57.78 2qtn h LYS 95 Cb 1.50 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.45 2qtn h LYS 95 CO 0.17 0.93 -0.75 0.66 -0.57 0.00 0.00 179.45 179.88 2qtn n TYR 96 N -3.95 1.46 0.30 -1.35 4.02 0.12 -4.95 117.16 112.82 2qtn n TYR 96 Ca -0.03 -3.87 0.19 0.00 -0.01 0.00 0.00 57.90 54.17 2qtn n TYR 96 Cb 0.60 -0.25 0.96 0.00 -0.02 0.00 0.00 39.34 40.63 2qtn n TYR 96 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2qtn h PRO 97 N 5.38 0.00 -0.27 -0.72 0.11 -1.73 -2.35 132.00 132.42 2qtn h PRO 97 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2qtn h PRO 97 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qtn h PRO 97 CO 0.57 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2qtn n ASP 98 N -3.27 1.88 -4.47 -2.05 5.75 -1.26 -4.90 116.55 108.24 2qtn n ASP 98 Ca -0.02 -1.86 -0.33 0.00 -0.01 0.00 0.00 54.79 52.58 2qtn n ASP 98 Cb 0.17 -0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 39.94 2qtn n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qtn s VAL 99 N -1.64 3.09 -0.41 2.12 1.01 -0.89 -1.05 120.40 122.63 2qtn s VAL 99 Ca 0.29 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2qtn s VAL 99 Cb 0.15 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2qtn s VAL 99 CO 0.22 0.59 0.27 -1.58 0.00 0.00 0.00 175.10 174.59 2qtn s GLN 100 N -0.63 2.87 0.06 2.72 0.74 -0.38 -4.94 119.66 120.11 2qtn s GLN 100 Ca 0.09 -1.14 -0.24 0.00 0.05 0.00 0.00 55.36 54.13 2qtn s GLN 100 Cb -0.11 -3.88 -0.06 0.00 1.10 0.00 0.00 33.01 30.06 2qtn s GLN 100 CO 0.01 -0.79 0.72 -0.06 -0.55 0.00 0.00 175.29 174.62 2qtn s PHE 101 N 1.59 3.77 -0.33 1.67 0.40 -1.26 -1.86 117.98 121.97 2qtn s PHE 101 Ca 0.03 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 2qtn s PHE 101 Cb -0.20 -2.74 0.08 0.00 0.51 0.00 0.00 43.02 40.66 2qtn s PHE 101 CO 0.07 0.36 0.04 -1.01 0.70 0.00 0.00 175.22 175.39 2qtn s HIS 102 N -0.40 3.45 -0.47 0.36 3.76 -0.19 -1.18 115.29 120.63 2qtn s HIS 102 Ca 0.36 -2.33 -0.25 0.00 -0.15 0.00 0.00 55.06 52.69 2qtn s HIS 102 Cb -0.21 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 30.99 2qtn s HIS 102 CO 0.22 -0.89 0.89 0.12 -0.85 0.00 0.00 174.74 174.24 2qtn s PHE 103 N 1.12 2.93 -0.03 1.40 5.36 -0.65 -1.03 117.98 127.08 2qtn s PHE 103 Ca 0.01 0.29 -0.27 0.00 -0.96 0.00 0.00 56.93 56.01 2qtn s PHE 103 Cb -0.20 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.54 2qtn s PHE 103 CO -0.04 -1.10 0.84 0.42 -1.46 0.00 0.00 175.22 173.89 2qtn s ILE 104 N 3.66 4.96 0.03 3.12 1.01 -0.19 -1.49 121.20 132.30 2qtn s ILE 104 Ca 0.35 1.76 0.04 0.00 0.00 0.00 0.00 60.65 62.79 2qtn s ILE 104 Cb -0.11 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 2qtn s ILE 104 CO 0.25 0.20 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 2qtn s ILE 105 N 0.91 0.86 0.45 2.92 1.09 0.24 -4.51 121.20 123.17 2qtn s ILE 105 Ca 0.45 -0.83 -0.22 0.00 -1.10 0.00 0.00 60.65 58.95 2qtn s ILE 105 Cb -0.19 -0.79 -0.08 0.00 -1.06 0.00 0.00 42.46 40.34 2qtn s ILE 105 CO 0.23 -0.02 1.10 -0.83 -0.10 0.00 0.00 174.94 175.32 2qtn s GLY 106 N -0.95 2.70 0.43 6.18 0.00 -1.26 -1.67 107.32 112.75 2qtn s GLY 106 Ca -0.00 0.79 0.22 0.00 0.00 0.00 0.00 44.72 45.72 2qtn s GLY 106 CO 0.01 1.20 1.80 -1.33 0.00 0.00 0.00 173.10 174.78 2qtn h GLY 107 N 2.01 0.89 1.53 0.20 0.00 -1.53 0.01 103.07 106.17 2qtn h GLY 107 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2qtn h GLY 107 CO 0.60 -0.08 0.00 1.22 0.00 0.00 0.00 176.54 178.28 2qtn n ASP 108 N -4.52 0.00 -0.03 0.19 9.92 -1.26 -2.95 116.55 117.90 2qtn n ASP 108 Ca 0.23 -0.12 0.02 0.00 -0.53 0.00 0.00 54.79 54.40 2qtn n ASP 108 Cb 0.89 -0.26 -0.15 0.00 -0.64 0.00 0.00 41.12 40.95 2qtn n ASP 108 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2qtn n MET 109 N -1.26 0.66 -0.29 -1.24 0.00 -0.02 -4.54 117.12 110.43 2qtn n MET 109 Ca 0.12 -0.07 0.12 0.00 -0.00 0.00 0.00 57.70 57.87 2qtn n MET 109 Cb 0.19 -1.56 0.27 0.00 0.00 0.00 0.00 33.22 32.12 2qtn n MET 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qtn h VAL 110 N 0.00 0.32 -0.75 1.12 2.07 -1.51 0.23 116.25 117.73 2qtn h VAL 110 Ca -0.21 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2qtn h VAL 110 Cb 1.51 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2qtn h VAL 110 CO 0.02 0.04 0.36 1.05 0.02 0.00 0.00 177.57 179.05 2qtn h GLU 111 N 0.20 1.07 0.00 1.57 4.11 -1.80 -2.71 114.58 117.03 2qtn h GLU 111 Ca 0.53 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2qtn h GLU 111 Cb 1.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2qtn h GLU 111 CO -0.65 0.83 0.00 0.66 0.07 0.00 0.00 179.01 179.92 2qtn n TYR 112 N -4.32 0.18 -0.33 2.06 4.02 0.07 -4.04 117.16 114.80 2qtn n TYR 112 Ca 0.07 0.08 0.14 0.00 -0.01 0.00 0.00 57.90 58.18 2qtn n TYR 112 Cb 0.14 -0.63 0.33 0.00 -0.02 0.00 0.00 39.34 39.16 2qtn n TYR 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2qtn h LEU 113 N 0.00 0.59 -1.86 7.72 3.38 -1.50 -1.21 115.31 122.42 2qtn h LEU 113 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qtn h LEU 113 Cb 0.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2qtn h LEU 113 CO 0.00 0.13 0.06 -0.65 0.09 0.00 0.00 178.44 178.07 2qtn h PRO 114 N 0.58 0.00 -0.01 1.13 0.11 -1.84 0.59 132.00 132.56 2qtn h PRO 114 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2qtn h PRO 114 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qtn h PRO 114 CO -0.46 0.00 -0.59 1.63 -0.21 0.00 0.00 178.00 178.37 2qtn n LYS 115 N -2.52 0.46 -1.36 1.05 5.02 -0.46 -4.93 118.16 115.43 2qtn n LYS 115 Ca -0.02 -0.34 -0.33 0.00 -2.02 0.00 0.00 58.31 55.61 2qtn n LYS 115 Cb 0.10 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 2qtn n LYS 115 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2qtn s TRP 116 N -2.77 2.25 0.05 2.13 0.52 0.20 -4.94 118.94 116.37 2qtn s TRP 116 Ca 0.15 1.61 -0.30 0.00 0.02 0.00 0.00 56.10 57.58 2qtn s TRP 116 Cb 0.18 -3.27 -0.05 0.00 -1.15 0.00 0.00 33.47 29.18 2qtn s TRP 116 CO 0.68 -2.20 1.12 -0.47 0.02 0.00 0.00 176.95 176.11 2qtn s TYR 117 N -2.41 3.52 -1.71 -1.98 5.04 -1.26 -3.50 117.35 115.05 2qtn s TYR 117 Ca 0.68 1.45 -0.19 0.00 -2.44 0.00 0.00 57.07 56.57 2qtn s TYR 117 Cb -0.23 -3.31 0.16 0.00 0.35 0.00 0.00 41.96 38.93 2qtn s TYR 117 CO 0.49 -0.83 0.80 0.09 -1.34 0.00 0.00 175.55 174.76 2qtn n ASN 118 N 3.82 -3.35 -0.11 4.32 5.03 -1.26 -4.48 115.26 119.22 2qtn n ASN 118 Ca 0.08 -1.01 0.01 0.00 0.87 0.00 0.00 54.58 54.52 2qtn n ASN 118 Cb 0.48 -2.77 0.29 0.00 -1.02 0.00 0.00 39.78 36.76 2qtn n ASN 118 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2qtn h ILE 119 N -1.50 1.17 -0.41 2.41 -0.00 -1.88 0.32 117.51 117.63 2qtn h ILE 119 Ca -0.59 -0.44 -0.11 0.00 -0.00 0.00 0.00 64.86 63.72 2qtn h ILE 119 Cb 1.38 0.41 -0.01 0.00 -0.00 0.00 0.00 36.82 38.60 2qtn h ILE 119 CO 0.78 0.19 -0.16 -0.33 -0.00 0.00 0.00 178.15 178.64 2qtn h GLU 120 N 0.79 0.83 -0.09 2.19 3.07 -1.90 -1.09 114.58 118.38 2qtn h GLU 120 Ca 0.20 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 2qtn h GLU 120 Cb 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qtn h GLU 120 CO -0.03 0.98 -0.33 0.00 -1.40 0.00 0.00 179.01 178.22 2qtn h ALA 121 N 0.83 1.28 -0.06 3.43 0.00 -1.79 -2.13 119.26 120.83 2qtn h ALA 121 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2qtn h ALA 121 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2qtn h ALA 121 CO 0.05 0.50 -0.12 1.25 0.00 0.00 0.00 179.25 180.94 2qtn h LEU 122 N 0.15 0.08 -2.28 0.00 5.85 0.10 -2.33 115.31 116.87 2qtn h LEU 122 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qtn h LEU 122 Cb 0.67 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2qtn h LEU 122 CO 0.05 0.21 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.24 2qtn h LEU 123 N 0.08 0.00 -0.02 2.25 3.38 -0.50 -1.02 115.31 119.48 2qtn h LEU 123 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2qtn h LEU 123 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2qtn h LEU 123 CO 0.02 0.05 -0.89 0.44 0.09 0.00 0.00 178.44 178.14 2qtn h ASP 124 N 0.00 0.00 1.18 -0.43 3.32 -1.52 -3.31 116.42 115.66 2qtn h ASP 124 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2qtn h ASP 124 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2qtn h ASP 124 CO 0.01 0.89 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.57 2qtn h LEU 125 N 0.00 0.00 -8.54 1.55 3.38 -1.24 -3.48 115.31 106.98 2qtn h LEU 125 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 2qtn h LEU 125 Cb 1.68 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.34 2qtn h LEU 125 CO 0.12 0.78 -0.22 0.68 0.09 0.00 0.00 178.44 179.88 2qtn s VAL 126 N -2.86 0.00 -0.25 1.22 -7.23 -0.93 -4.68 120.40 105.67 2qtn s VAL 126 Ca 0.02 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2qtn s VAL 126 Cb 0.09 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.46 2qtn s VAL 126 CO 0.79 0.00 -0.09 0.28 -0.31 0.00 0.00 175.10 175.77 2qtn s THR 127 N -3.13 2.57 0.44 5.32 -1.32 -0.33 -4.66 115.64 114.53 2qtn s THR 127 Ca 0.31 -1.24 -0.23 0.00 -1.21 0.00 0.00 61.69 59.32 2qtn s THR 127 Cb -0.00 -2.36 -0.08 0.00 -1.51 0.00 0.00 72.50 68.55 2qtn s THR 127 CO 0.20 0.14 1.11 -0.36 -2.21 0.00 0.00 174.62 173.50 2qtn s PHE 128 N 1.24 3.03 -0.16 9.09 0.40 -1.26 -1.64 117.98 128.68 2qtn s PHE 128 Ca -0.03 1.58 -0.01 0.00 -0.60 0.00 0.00 56.93 57.88 2qtn s PHE 128 Cb -0.18 -3.26 0.04 0.00 0.51 0.00 0.00 43.02 40.14 2qtn s PHE 128 CO -0.05 -1.12 -0.04 0.08 0.70 0.00 0.00 175.22 174.79 2qtn s VAL 129 N -1.62 0.99 -0.14 -0.44 1.01 -0.55 -1.22 120.40 118.42 2qtn s VAL 129 Ca 0.62 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 2qtn s VAL 129 Cb -0.25 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2qtn s VAL 129 CO 0.31 0.09 0.18 -0.83 0.00 0.00 0.00 175.10 174.84 2qtn s GLY 130 N 1.68 2.15 -0.16 4.51 0.00 0.70 -0.59 107.32 115.61 2qtn s GLY 130 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 2qtn s GLY 130 CO -0.07 -0.04 -0.00 0.54 0.00 0.00 0.00 173.10 173.52 2qtn s VAL 131 N -0.33 4.21 0.06 1.40 0.11 -0.67 -1.74 120.40 123.45 2qtn s VAL 131 Ca 0.13 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2qtn s VAL 131 Cb -0.12 -2.86 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 2qtn s VAL 131 CO 0.03 0.49 0.04 0.00 -3.33 0.00 0.00 175.10 172.32 2qtn s ALA 132 N 0.26 0.28 0.72 1.54 0.00 -0.85 -1.21 121.76 122.51 2qtn s ALA 132 Ca -0.01 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 2qtn s ALA 132 Cb -0.13 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2qtn s ALA 132 CO 0.02 -0.41 1.23 0.54 0.00 0.00 0.00 175.76 177.14 2qtn n ARG 133 N 0.06 0.70 -1.79 0.00 1.74 -1.26 -0.66 116.66 115.45 2qtn n ARG 133 Ca -0.14 0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 2qtn n ARG 133 Cb 0.61 -2.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.56 2qtn n ARG 133 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2qtn s PRO 134 N -3.65 4.16 0.00 5.56 0.02 -1.25 -1.90 135.00 137.94 2qtn s PRO 134 Ca 0.78 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.31 2qtn s PRO 134 Cb -0.34 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.55 2qtn s PRO 134 CO 0.45 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 2qtn n GLY 135 N 4.17 3.18 3.84 0.52 0.00 -1.26 -5.04 105.19 110.59 2qtn n GLY 135 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2qtn n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qtn s TYR 136 N -2.34 3.34 -0.06 1.61 5.04 -0.80 -5.07 117.35 119.07 2qtn s TYR 136 Ca 0.00 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 2qtn s TYR 136 Cb 0.00 -2.82 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2qtn s TYR 136 CO 0.00 -0.94 -0.05 0.15 -1.34 0.00 0.00 175.55 173.37 2qtn s LYS 137 N -4.96 1.04 0.18 4.97 1.02 -1.26 -4.81 119.74 115.92 2qtn s LYS 137 Ca 0.57 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.12 2qtn s LYS 137 Cb -0.13 -1.07 -0.08 0.00 -0.52 0.00 0.00 37.83 36.04 2qtn s LYS 137 CO 0.52 -0.13 1.09 -0.51 -0.92 0.00 0.00 175.35 175.40 2qtn s LEU 138 N 1.18 4.49 -0.14 3.17 1.43 -1.26 -5.04 118.68 122.52 2qtn s LEU 138 Ca -0.06 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2qtn s LEU 138 Cb -0.14 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2qtn s LEU 138 CO -0.01 -0.21 -0.08 -0.13 0.23 0.00 0.00 176.35 176.15 2qtn s ARG 139 N -0.37 3.46 -0.25 1.70 0.52 -1.26 -5.09 118.95 117.66 2qtn s ARG 139 Ca 0.49 -0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 2qtn s ARG 139 Cb -0.29 -2.77 0.15 0.00 0.52 0.00 0.00 34.95 32.56 2qtn s ARG 139 CO 0.35 0.28 1.18 -0.08 0.02 0.00 0.00 175.30 177.05 2qtn s THR 140 N 0.21 0.00 -0.17 0.02 -1.32 -1.26 -4.64 115.64 108.49 2qtn s THR 140 Ca -0.05 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.69 2qtn s THR 140 Cb -0.14 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.15 2qtn s THR 140 CO 0.04 0.00 1.73 -0.65 -2.21 0.00 0.00 174.62 173.53 2qtn h PRO 141 N 3.07 0.00 -6.97 7.08 0.11 -1.98 -3.46 132.00 129.86 2qtn h PRO 141 Ca -0.21 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.44 2qtn h PRO 141 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2qtn h PRO 141 CO 0.20 0.09 0.34 0.71 -0.21 0.00 0.00 178.00 179.13 2qtn s TYR 142 N -3.38 3.50 -0.12 0.65 1.51 -1.26 -5.00 117.35 113.24 2qtn s TYR 142 Ca 0.04 1.69 -0.29 0.00 -1.01 0.00 0.00 57.07 57.49 2qtn s TYR 142 Cb 0.07 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2qtn s TYR 142 CO 0.64 0.05 1.38 -1.25 -1.11 0.00 0.00 175.55 175.26 2qtn s PRO 143 N -2.62 4.22 -0.07 -1.71 0.04 -1.26 -4.98 135.00 128.62 2qtn s PRO 143 Ca 0.56 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 2qtn s PRO 143 Cb -0.14 -3.82 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2qtn s PRO 143 CO 0.18 -0.73 0.17 -1.50 0.04 0.00 0.00 177.00 175.16 2qtn s ILE 144 N 3.57 -0.01 0.10 0.56 2.07 -1.26 -4.59 121.20 121.64 2qtn s ILE 144 Ca 0.61 0.04 -0.28 0.00 -1.41 0.00 0.00 60.65 59.61 2qtn s ILE 144 Cb -0.26 -0.26 -0.06 0.00 0.13 0.00 0.00 42.46 42.02 2qtn s ILE 144 CO 0.20 0.02 0.88 -0.89 -1.91 0.00 0.00 174.94 173.23 2qtn s THR 145 N 0.36 4.53 -0.00 4.00 2.01 -0.36 -4.86 115.64 121.32 2qtn s THR 145 Ca -0.02 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2qtn s THR 145 Cb -0.04 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2qtn s THR 145 CO -0.02 0.36 0.02 -0.89 -0.69 0.00 0.00 174.62 173.41 2qtn s THR 146 N -0.20 4.31 -0.11 -0.82 2.01 -1.26 -0.21 115.64 119.36 2qtn s THR 146 Ca 0.43 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2qtn s THR 146 Cb -0.23 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.39 2qtn s THR 146 CO 0.27 0.37 0.02 -0.69 -0.69 0.00 0.00 174.62 173.90 2qtn s VAL 147 N -1.11 0.37 0.15 3.82 1.01 -0.71 -4.95 120.40 118.99 2qtn s VAL 147 Ca 0.20 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2qtn s VAL 147 Cb -0.12 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 2qtn s VAL 147 CO 0.11 0.11 1.10 -1.61 0.00 0.00 0.00 175.10 174.81 2qtn s GLU 148 N 1.96 4.58 0.08 2.72 2.02 -1.26 -2.01 118.70 126.79 2qtn s GLU 148 Ca 0.03 1.69 -0.14 0.00 0.02 0.00 0.00 54.97 56.58 2qtn s GLU 148 Cb -0.14 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2qtn s GLU 148 CO -0.06 0.04 0.33 0.96 0.02 0.00 0.00 175.26 176.55 2qtn s ILE 149 N -0.01 0.09 -1.25 -1.63 -4.36 0.16 -4.92 121.20 109.28 2qtn s ILE 149 Ca 0.50 -0.72 -0.18 0.00 -0.26 0.00 0.00 60.65 60.00 2qtn s ILE 149 Cb -0.29 -1.09 -0.00 0.00 1.25 0.00 0.00 42.46 42.33 2qtn s ILE 149 CO 0.34 -0.40 1.95 -0.81 0.24 0.00 0.00 174.94 176.26 2qtn n PRO 150 N 0.19 2.57 -1.65 0.37 -0.04 -1.26 -3.90 135.00 131.27 2qtn n PRO 150 Ca -0.17 -2.72 -0.47 0.00 -0.04 0.00 0.00 63.50 60.10 2qtn n PRO 150 Cb 0.61 -3.39 -0.04 0.00 -0.04 0.00 0.00 33.50 30.65 2qtn n PRO 150 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2qtn n GLU 151 N 7.46 1.87 -3.62 0.54 2.13 -1.26 -4.97 120.64 122.79 2qtn n GLU 151 Ca 0.49 0.67 -0.40 0.00 0.66 0.00 0.00 57.16 58.58 2qtn n GLU 151 Cb 0.43 -2.35 -0.10 0.00 0.27 0.00 0.00 31.44 29.68 2qtn n GLU 151 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2qtn s PHE 152 N 0.40 3.33 0.00 4.31 5.99 -1.26 -5.01 117.98 125.74 2qtn s PHE 152 Ca 0.75 -1.50 -0.02 0.00 0.00 0.00 0.00 56.93 56.16 2qtn s PHE 152 Cb -0.73 -2.88 -0.08 0.00 0.00 0.00 0.00 43.02 39.34 2qtn s PHE 152 CO 0.45 -0.83 1.81 0.00 -0.00 0.00 0.00 175.22 176.65 2qtn n ALA 153 N 4.91 3.66 -2.88 11.12 0.00 -1.26 -4.67 120.51 131.38 2qtn n ALA 153 Ca -0.10 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.49 2qtn n ALA 153 Cb 0.43 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 2qtn n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtn s VAL 154 N 1.24 5.14 0.09 0.00 0.11 -1.26 -5.12 120.40 120.61 2qtn s VAL 154 Ca 0.20 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2qtn s VAL 154 Cb 0.09 -3.50 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 2qtn s VAL 154 CO 0.00 0.13 0.11 -0.94 -3.33 0.00 0.00 175.10 171.07 2qtn s SER 155 N -2.48 0.26 0.32 3.54 1.04 -1.26 -4.77 113.70 110.35 2qtn s SER 155 Ca 0.33 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2qtn s SER 155 Cb -0.13 0.30 0.55 0.00 0.10 0.00 0.00 66.02 66.84 2qtn s SER 155 CO 0.26 -0.70 1.94 0.28 0.98 0.00 0.00 173.24 176.00 2qtn h SER 156 N 2.88 0.74 -0.28 7.02 0.02 -1.86 -2.16 113.55 119.91 2qtn h SER 156 Ca -0.34 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 2qtn h SER 156 Cb 1.18 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2qtn h SER 156 CO 0.59 0.61 0.05 0.28 -1.14 0.00 0.00 176.83 177.22 2qtn h SER 157 N 0.83 0.43 -0.89 3.07 0.02 -1.93 0.06 113.55 115.14 2qtn h SER 157 Ca 0.21 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2qtn h SER 157 Cb 0.05 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2qtn h SER 157 CO -0.03 0.57 0.55 0.25 -1.14 0.00 0.00 176.83 177.03 2qtn h LEU 158 N 0.27 1.06 -1.28 5.07 6.46 -1.94 -1.22 115.31 123.73 2qtn h LEU 158 Ca 0.08 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 2qtn h LEU 158 Cb 0.32 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2qtn h LEU 158 CO 0.00 0.80 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.23 2qtn h LEU 159 N 1.22 0.05 -0.10 2.25 3.38 -1.04 -0.00 115.31 121.07 2qtn h LEU 159 Ca 0.32 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2qtn h LEU 159 Cb -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qtn h LEU 159 CO -0.06 0.38 -0.06 0.03 0.09 0.00 0.00 178.44 178.82 2qtn h ARG 160 N 0.05 0.21 -0.64 1.13 3.08 -0.11 -2.12 114.38 115.97 2qtn h ARG 160 Ca 0.00 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2qtn h ARG 160 Cb 0.60 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2qtn h ARG 160 CO 0.04 0.59 0.42 0.93 -1.07 0.00 0.00 179.97 180.89 2qtn h GLU 161 N -0.17 0.83 -0.10 0.04 5.08 -0.95 -1.30 114.58 118.02 2qtn h GLU 161 Ca 0.02 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2qtn h GLU 161 Cb 0.54 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2qtn h GLU 161 CO 0.02 0.55 -0.15 0.00 -1.00 0.00 0.00 179.01 178.43 2qtn h ARG 162 N 0.85 -0.19 -0.90 2.33 2.47 -0.92 0.00 114.38 118.03 2qtn h ARG 162 Ca 0.24 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2qtn h ARG 162 Cb -0.08 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.24 2qtn h ARG 162 CO -0.06 -0.13 0.56 1.88 0.56 0.00 0.00 179.97 182.78 2qtn h TYR 163 N -0.20 1.16 -0.21 3.04 -1.99 -1.03 0.14 116.97 117.89 2qtn h TYR 163 Ca 0.08 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 2qtn h TYR 163 Cb 0.31 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 2qtn h TYR 163 CO -0.25 0.76 -0.22 -0.22 -0.00 0.00 0.00 178.16 178.23 2qtn h LYS 164 N 1.23 0.37 -0.64 4.88 3.64 -0.78 -2.75 116.57 122.52 2qtn h LYS 164 Ca 0.32 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qtn h LYS 164 Cb -0.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2qtn h LYS 164 CO -0.06 0.58 0.00 0.39 -2.27 0.00 0.00 179.45 178.09 2qtn n GLU 165 N -4.16 3.17 -3.93 1.90 1.02 -0.05 -4.93 120.64 113.65 2qtn n GLU 165 Ca -0.00 -2.43 -0.30 0.00 -0.02 0.00 0.00 57.16 54.41 2qtn n GLU 165 Cb 0.37 -1.74 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 2qtn n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qtn n LYS 166 N 1.04 -5.09 -3.06 3.49 4.76 -0.46 -4.97 118.16 113.87 2qtn n LYS 166 Ca 0.22 0.56 -0.20 0.00 -2.87 0.00 0.00 58.31 56.02 2qtn n LYS 166 Cb 0.73 -5.37 0.01 0.00 -1.84 0.00 0.00 35.03 28.56 2qtn n LYS 166 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qtn s LYS 167 N -6.59 2.93 0.51 1.97 -0.14 0.37 -5.02 119.74 113.76 2qtn s LYS 167 Ca 0.58 -0.84 -0.21 0.00 -1.36 0.00 0.00 55.97 54.14 2qtn s LYS 167 Cb -0.29 -2.66 -0.07 0.00 -1.68 0.00 0.00 37.83 33.13 2qtn s LYS 167 CO 0.84 -0.26 1.13 -0.08 -0.76 0.00 0.00 175.35 176.22 2qtn s THR 168 N -2.45 3.20 -0.03 2.17 -1.32 -1.26 -4.62 115.64 111.33 2qtn s THR 168 Ca 0.50 0.79 0.04 0.00 -1.21 0.00 0.00 61.69 61.82 2qtn s THR 168 Cb -0.10 -3.35 0.06 0.00 -1.51 0.00 0.00 72.50 67.61 2qtn s THR 168 CO 0.35 -0.12 0.98 0.00 -2.21 0.00 0.00 174.62 173.62 2qtn s LYS 170 N -0.68 4.20 0.00 0.00 2.20 -1.26 -2.25 119.74 121.95 2qtn s LYS 170 Ca 0.07 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 2qtn s LYS 170 Cb 0.06 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2qtn s LYS 170 CO 0.01 -0.59 0.00 0.66 -0.36 0.00 0.00 175.35 175.06 2qtn n TYR 171 N 3.44 0.00 0.06 4.03 0.53 -1.26 -4.86 117.16 119.11 2qtn n TYR 171 Ca 0.12 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.88 2qtn n TYR 171 Cb 0.38 -0.22 -0.03 0.00 -1.03 0.00 0.00 39.34 38.45 2qtn n TYR 171 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2qtn h LEU 172 N 0.00 0.50 -7.86 7.72 3.38 -1.86 -3.46 115.31 113.74 2qtn h LEU 172 Ca 0.00 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 2qtn h LEU 172 Cb 0.00 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 40.46 2qtn h LEU 172 CO 0.00 1.17 -0.35 -1.48 0.09 0.00 0.00 178.44 177.87 2qtn s LEU 173 N -7.76 1.28 0.31 1.67 2.34 -1.26 -2.30 118.68 112.96 2qtn s LEU 173 Ca -0.06 -0.69 -0.28 0.00 0.06 0.00 0.00 54.13 53.16 2qtn s LEU 173 Cb 0.09 1.10 -0.13 0.00 -0.56 0.00 0.00 46.19 46.68 2qtn s LEU 173 CO 0.86 -0.77 1.10 -2.65 -1.06 0.00 0.00 176.35 173.83 2qtn n PRO 174 N -0.10 1.60 -0.12 1.48 -0.02 -1.26 -4.83 135.00 131.75 2qtn n PRO 174 Ca -0.13 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 2qtn n PRO 174 Cb 0.63 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2qtn n PRO 174 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qtn h GLU 175 N 2.16 0.20 0.00 -0.52 3.07 -1.99 -0.60 114.58 116.90 2qtn h GLU 175 Ca -0.42 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2qtn h GLU 175 Cb 1.32 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2qtn h GLU 175 CO 0.61 0.13 0.08 0.87 -1.40 0.00 0.00 179.01 179.31 2qtn h LYS 176 N 0.21 0.00 0.05 2.33 1.57 -1.93 -2.05 116.57 116.75 2qtn h LYS 176 Ca 0.19 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.63 2qtn h LYS 176 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2qtn h LYS 176 CO -0.25 0.00 -2.01 0.28 -0.57 0.00 0.00 179.45 176.90 2qtn n VAL 177 N -2.58 1.63 0.17 0.50 0.31 -0.27 -3.33 118.33 114.76 2qtn n VAL 177 Ca -0.02 -0.72 0.01 0.00 -0.01 0.00 0.00 64.34 63.60 2qtn n VAL 177 Cb 0.13 -1.29 0.32 0.00 -0.91 0.00 0.00 33.84 32.09 2qtn n VAL 177 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qtn h GLN 178 N 0.03 0.03 0.22 5.55 4.20 -0.90 -0.82 115.11 123.41 2qtn h GLN 178 Ca -0.41 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.27 2qtn h GLN 178 Cb 2.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.82 2qtn h GLN 178 CO 0.05 0.43 -0.11 0.28 -0.67 0.00 0.00 178.83 178.82 2qtn h VAL 179 N 0.02 0.86 -0.92 -0.54 2.07 -1.58 -1.77 116.25 114.38 2qtn h VAL 179 Ca -0.00 -0.47 0.12 0.00 0.82 0.00 0.00 66.70 67.17 2qtn h VAL 179 Cb 0.73 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2qtn h VAL 179 CO 0.05 0.10 0.59 0.22 0.02 0.00 0.00 177.57 178.56 2qtn h TYR 180 N -0.53 0.96 -0.44 1.57 3.20 -1.48 0.13 116.97 120.38 2qtn h TYR 180 Ca -0.03 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2qtn h TYR 180 Cb 0.40 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2qtn h TYR 180 CO 0.00 0.40 -0.25 0.82 -1.64 0.00 0.00 178.16 177.49 2qtn h ILE 181 N 0.86 1.27 0.17 1.81 2.04 -0.94 -2.53 117.51 120.19 2qtn h ILE 181 Ca 0.45 -1.41 -0.25 0.00 1.00 0.00 0.00 64.86 64.64 2qtn h ILE 181 Cb 0.52 1.20 0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2qtn h ILE 181 CO -0.21 0.48 -1.09 -0.33 0.00 0.00 0.00 178.15 177.00 2qtn h GLU 182 N 0.78 0.43 0.00 2.37 5.08 -0.68 -1.62 114.58 120.94 2qtn h GLU 182 Ca 0.10 -0.70 -0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2qtn h GLU 182 Cb 0.82 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qtn h GLU 182 CO 0.07 1.33 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.31 2qtn h ARG 183 N -0.10 0.00 -0.11 2.33 2.43 -0.82 -2.73 114.38 115.38 2qtn h ARG 183 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2qtn h ARG 183 Cb 1.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2qtn h ARG 183 CO 0.21 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.76 2qtn n ASN 184 N -4.35 2.44 -0.22 -3.80 4.13 -0.95 -5.01 115.26 107.51 2qtn n ASN 184 Ca -0.03 -1.70 -0.03 0.00 1.68 0.00 0.00 54.58 54.51 2qtn n ASN 184 Cb 0.09 -0.06 -0.01 0.00 -1.54 0.00 0.00 39.78 38.26 2qtn n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qtn n GLY 185 N 0.84 0.55 3.72 7.41 0.00 -0.83 -4.96 105.19 111.91 2qtn n GLY 185 Ca 0.10 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2qtn n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qtn n LEU 186 N -0.32 4.38 0.00 0.99 4.77 -0.67 -0.22 117.00 125.92 2qtn n LEU 186 Ca -0.03 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 2qtn n LEU 186 Cb 0.22 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 2qtn n LEU 186 CO 0.04 -0.48 0.00 -1.22 -1.33 0.00 0.00 177.39 174.40 2qtn n TYR 187 N -0.19 0.00 -2.04 -1.77 4.02 -1.26 -4.32 117.16 111.59 2qtn n TYR 187 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.90 2qtn n TYR 187 Cb 0.40 -0.80 -0.05 0.00 -0.02 0.00 0.00 39.34 38.87 2qtn n TYR 187 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2qtn n GLU 188 N 0.25 0.00 0.00 -0.72 0.00 -1.11 -3.05 120.64 116.01 2qtn n GLU 188 Ca 0.00 -0.97 0.15 0.00 0.00 0.00 0.00 57.16 56.34 2qtn n GLU 188 Cb 0.05 0.39 0.80 0.00 0.00 0.00 0.00 31.44 32.67 2qtn n GLU 188 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00