#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtm s ARG 2 N 0.00 3.64 -0.14 0.03 1.70 -1.13 -4.89 118.95 118.17 2qtm s ARG 2 Ca 0.00 -0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 2qtm s ARG 2 Cb 0.00 -3.81 -0.01 0.00 -0.57 0.00 0.00 34.95 30.57 2qtm s ARG 2 CO 0.00 -0.68 1.02 -1.59 -1.08 0.00 0.00 175.30 172.97 2qtm s LYS 3 N 2.51 4.38 -0.01 3.89 -2.85 -1.26 -2.53 119.74 123.86 2qtm s LYS 3 Ca 0.21 1.39 0.07 0.00 -1.00 0.00 0.00 55.97 56.63 2qtm s LYS 3 Cb -0.15 -3.57 -0.02 0.00 -2.06 0.00 0.00 37.83 32.03 2qtm s LYS 3 CO 0.14 -0.40 -0.21 0.42 0.10 0.00 0.00 175.35 175.39 2qtm s ILE 4 N 2.34 1.70 0.15 3.79 1.01 -1.02 -2.75 121.20 126.42 2qtm s ILE 4 Ca 0.47 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2qtm s ILE 4 Cb -0.17 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 2qtm s ILE 4 CO 0.15 0.45 0.41 -0.83 0.00 0.00 0.00 174.94 175.12 2qtm s GLY 5 N -0.57 2.26 -0.04 6.18 0.00 -0.43 0.04 107.32 114.75 2qtm s GLY 5 Ca 0.08 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2qtm s GLY 5 CO -0.01 -0.38 -0.05 -0.42 0.00 0.00 0.00 173.10 172.25 2qtm s ILE 6 N -1.66 0.56 -0.14 0.90 -1.09 -0.25 0.47 121.20 120.00 2qtm s ILE 6 Ca 0.41 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 2qtm s ILE 6 Cb -0.12 -0.57 0.03 0.00 -1.58 0.00 0.00 42.46 40.22 2qtm s ILE 6 CO 0.23 0.22 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.47 2qtm s ILE 7 N 0.76 1.04 0.43 2.92 1.01 -0.23 -0.77 121.20 126.36 2qtm s ILE 7 Ca -0.10 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2qtm s ILE 7 Cb -0.13 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2qtm s ILE 7 CO 0.00 0.23 0.61 -0.83 0.00 0.00 0.00 174.94 174.95 2qtm s GLY 8 N 1.68 1.72 0.00 6.18 0.00 -1.26 -0.97 107.32 114.67 2qtm s GLY 8 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2qtm s GLY 8 CO -0.08 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.42 2qtm n GLY 9 N -1.94 0.75 0.18 0.20 0.00 -1.16 -4.92 105.19 98.29 2qtm n GLY 9 Ca 0.04 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 2qtm n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtm h THR 10 N 3.32 1.31 -6.05 2.61 1.35 -1.90 0.20 112.91 113.75 2qtm h THR 10 Ca 0.00 -2.41 -0.43 0.00 -0.55 0.00 0.00 66.41 63.02 2qtm h THR 10 Cb 0.00 2.55 0.06 0.00 -1.73 0.00 0.00 68.15 69.03 2qtm h THR 10 CO 0.00 0.73 -0.73 0.49 -0.25 0.00 0.00 175.52 175.76 2qtm n PHE 11 N -3.79 -2.52 -3.44 4.73 3.01 -1.26 -4.67 117.46 109.52 2qtm n PHE 11 Ca -0.11 0.95 -0.27 0.00 1.01 0.00 0.00 57.45 59.03 2qtm n PHE 11 Cb 0.93 -4.54 -0.08 0.00 -0.01 0.00 0.00 39.48 35.78 2qtm n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2qtm n ASP 12 N -2.95 3.39 -4.96 4.37 2.03 -1.26 -2.66 116.55 114.51 2qtm n ASP 12 Ca -0.02 -3.36 -0.20 0.00 0.52 0.00 0.00 54.79 51.73 2qtm n ASP 12 Cb 0.56 -0.67 0.04 0.00 -0.72 0.00 0.00 41.12 40.33 2qtm n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qtm s PRO 13 N -2.28 2.49 0.45 -0.67 0.04 -1.26 -4.61 135.00 129.16 2qtm s PRO 13 Ca 0.38 -1.09 -0.21 0.00 0.04 0.00 0.00 61.00 60.12 2qtm s PRO 13 Cb 0.14 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 2qtm s PRO 13 CO -0.03 -0.68 0.99 -1.25 0.04 0.00 0.00 177.00 176.06 2qtm s PRO 14 N -4.66 4.05 0.34 0.56 0.04 -1.09 -4.55 135.00 129.68 2qtm s PRO 14 Ca 0.58 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.91 2qtm s PRO 14 Cb -0.09 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2qtm s PRO 14 CO 0.37 -0.20 0.35 -2.39 0.04 0.00 0.00 177.00 175.18 2qtm n HIS 15 N -0.75 -1.02 0.31 0.56 1.44 -1.26 -4.76 115.22 109.74 2qtm n HIS 15 Ca 0.08 -2.66 0.15 0.00 -2.01 0.00 0.00 57.72 53.27 2qtm n HIS 15 Cb 0.53 0.38 0.68 0.00 0.12 0.00 0.00 29.99 31.70 2qtm n HIS 15 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 2qtm h TYR 16 N 2.06 0.00 0.05 -1.40 0.99 -1.76 -2.20 116.97 114.71 2qtm h TYR 16 Ca -0.25 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.49 2qtm h TYR 16 Cb 1.20 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.92 2qtm h TYR 16 CO 0.00 0.00 -0.07 0.78 -0.00 0.00 0.00 178.16 178.87 2qtm h GLY 17 N 1.35 -0.12 1.00 3.88 0.00 -1.84 -2.16 103.07 105.18 2qtm h GLY 17 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2qtm h GLY 17 CO 0.00 -0.07 0.06 0.45 0.00 0.00 0.00 176.54 176.98 2qtm h HIS 18 N -0.14 0.11 -0.17 5.60 3.86 -1.75 -2.48 115.15 120.18 2qtm h HIS 18 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qtm h HIS 18 Cb 0.15 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2qtm h HIS 18 CO -0.11 0.07 0.10 -0.07 0.86 0.00 0.00 177.93 178.78 2qtm h LEU 19 N 0.12 0.20 -0.24 2.43 4.07 -1.51 -1.58 115.31 118.80 2qtm h LEU 19 Ca 0.03 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 57.97 2qtm h LEU 19 Cb -0.01 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2qtm h LEU 19 CO -0.01 0.20 0.03 0.25 -1.08 0.00 0.00 178.44 177.84 2qtm h LEU 20 N 0.18 -0.02 -0.34 1.67 7.12 -1.39 0.71 115.31 123.25 2qtm h LEU 20 Ca 0.06 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.15 2qtm h LEU 20 Cb 0.04 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2qtm h LEU 20 CO -0.01 0.02 0.11 0.40 -0.13 0.00 0.00 178.44 178.83 2qtm h ILE 21 N 0.12 0.89 -0.61 4.05 2.04 -1.29 0.29 117.51 123.00 2qtm h ILE 21 Ca 0.11 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 2qtm h ILE 21 Cb 0.12 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2qtm h ILE 21 CO -0.16 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.15 2qtm h ALA 22 N 1.23 0.80 -0.11 1.87 0.00 -0.90 -1.22 119.26 120.93 2qtm h ALA 22 Ca 0.15 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2qtm h ALA 22 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qtm h ALA 22 CO -0.17 0.55 -0.63 -0.97 0.00 0.00 0.00 179.25 178.03 2qtm h ASN 23 N 0.90 0.47 -0.22 0.00 -1.24 -0.53 0.11 115.58 115.08 2qtm h ASN 23 Ca 0.19 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 56.88 2qtm h ASN 23 Cb 0.41 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2qtm h ASN 23 CO 0.01 0.98 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.79 2qtm h GLU 24 N 0.30 0.39 0.02 6.67 4.39 -0.21 -2.68 114.58 123.45 2qtm h GLU 24 Ca -0.01 -0.13 -0.20 0.00 0.34 0.00 0.00 59.36 59.36 2qtm h GLU 24 Cb 1.17 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2qtm h GLU 24 CO 0.11 0.59 -0.92 0.28 -1.16 0.00 0.00 179.01 177.90 2qtm h VAL 25 N 0.14 1.56 -0.92 3.13 2.07 -1.25 -0.85 116.25 120.14 2qtm h VAL 25 Ca 0.06 -2.87 0.07 0.00 0.82 0.00 0.00 66.70 64.77 2qtm h VAL 25 Cb 0.42 2.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 2qtm h VAL 25 CO 0.01 0.83 0.60 0.22 0.02 0.00 0.00 177.57 179.25 2qtm h TYR 26 N 0.05 1.07 0.18 1.57 3.20 -0.76 -1.97 116.97 120.31 2qtm h TYR 26 Ca -0.04 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.56 2qtm h TYR 26 Cb 1.59 -0.35 0.02 0.00 1.54 0.00 0.00 36.73 39.53 2qtm h TYR 26 CO 0.02 0.55 -1.46 0.45 -1.64 0.00 0.00 178.16 176.09 2qtm h HIS 27 N 1.05 0.70 -0.12 -3.82 3.86 -1.40 -2.15 115.15 113.26 2qtm h HIS 27 Ca 0.40 -0.51 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2qtm h HIS 27 Cb 0.21 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2qtm h HIS 27 CO -0.00 1.56 0.08 0.00 0.86 0.00 0.00 177.93 180.43 2qtm h ALA 28 N 0.08 0.16 -0.69 2.45 0.00 -0.97 -3.12 119.26 117.17 2qtm h ALA 28 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qtm h ALA 28 Cb 1.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2qtm h ALA 28 CO 0.17 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.36 2qtm n LEU 29 N -4.99 3.90 -3.89 0.00 4.77 -0.76 -4.97 117.00 111.05 2qtm n LEU 29 Ca -0.05 -1.95 -0.28 0.00 -0.03 0.00 0.00 56.01 53.70 2qtm n LEU 29 Cb 0.04 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 2qtm n LEU 29 CO 0.34 0.91 0.04 0.59 -1.33 0.00 0.00 177.39 177.94 2qtm n ASN 30 N 1.48 -3.62 -4.76 -1.43 3.02 -1.13 -4.96 115.26 103.86 2qtm n ASN 30 Ca 0.24 -0.82 -0.30 0.00 -0.03 0.00 0.00 54.58 53.66 2qtm n ASN 30 Cb 0.64 -3.79 0.10 0.00 -0.61 0.00 0.00 39.78 36.11 2qtm n ASN 30 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qtm s LEU 31 N -7.13 2.72 0.00 3.41 1.43 -0.82 -4.93 118.68 113.36 2qtm s LEU 31 Ca 0.48 1.60 0.16 0.00 -1.03 0.00 0.00 54.13 55.35 2qtm s LEU 31 Cb -0.24 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 2qtm s LEU 31 CO 0.84 -2.14 0.79 -1.84 0.23 0.00 0.00 176.35 174.23 2qtm n GLU 32 N -3.58 1.74 -3.54 1.70 0.28 -1.11 -4.87 120.64 111.26 2qtm n GLU 32 Ca 0.08 -0.54 -0.15 0.00 -0.16 0.00 0.00 57.16 56.39 2qtm n GLU 32 Cb 0.54 -1.26 -0.06 0.00 1.43 0.00 0.00 31.44 32.09 2qtm n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2qtm s GLU 33 N -2.11 0.88 -0.04 3.44 2.02 -1.26 -4.85 118.70 116.79 2qtm s GLU 33 Ca 0.11 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.35 2qtm s GLU 33 Cb 0.13 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.76 2qtm s GLU 33 CO 0.49 -0.28 -0.19 0.08 0.02 0.00 0.00 175.26 175.39 2qtm s VAL 34 N -1.19 1.53 -0.12 2.63 1.01 -0.51 -1.32 120.40 122.42 2qtm s VAL 34 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2qtm s VAL 34 Cb -0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2qtm s VAL 34 CO 0.06 0.44 -0.07 0.26 0.00 0.00 0.00 175.10 175.79 2qtm s TRP 35 N -0.12 2.94 -0.33 5.22 0.51 0.18 -2.29 118.94 125.04 2qtm s TRP 35 Ca -0.01 -0.30 -0.14 0.00 -2.12 0.00 0.00 56.10 53.54 2qtm s TRP 35 Cb -0.11 -1.85 -0.02 0.00 -0.81 0.00 0.00 33.47 30.68 2qtm s TRP 35 CO 0.02 0.02 0.30 -0.06 -0.51 0.00 0.00 176.95 176.72 2qtm s PHE 36 N 0.02 3.22 -0.64 -1.98 0.40 0.29 -1.06 117.98 118.22 2qtm s PHE 36 Ca -0.01 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 2qtm s PHE 36 Cb -0.14 -2.57 0.17 0.00 0.51 0.00 0.00 43.02 40.99 2qtm s PHE 36 CO 0.03 -0.37 0.47 -1.17 0.70 0.00 0.00 175.22 174.87 2qtm s LEU 37 N 1.88 5.34 0.29 -0.37 1.98 -0.14 -0.34 118.68 127.32 2qtm s LEU 37 Ca 0.09 -2.86 -0.29 0.00 -2.89 0.00 0.00 54.13 48.18 2qtm s LEU 37 Cb -0.17 -1.88 -0.10 0.00 0.66 0.00 0.00 46.19 44.70 2qtm s LEU 37 CO 0.11 -0.38 1.38 -2.16 -1.89 0.00 0.00 176.35 173.41 2qtm s PRO 38 N -0.07 4.30 0.44 0.98 0.04 -1.26 -3.01 135.00 136.43 2qtm s PRO 38 Ca 0.17 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.36 2qtm s PRO 38 Cb -0.19 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2qtm s PRO 38 CO -0.04 -0.32 0.84 -0.80 0.04 0.00 0.00 177.00 176.72 2qtm s ASN 39 N -0.04 6.54 -0.30 6.66 0.02 0.06 -4.11 114.94 123.77 2qtm s ASN 39 Ca 0.54 1.27 -0.19 0.00 -1.02 0.00 0.00 52.86 53.46 2qtm s ASN 39 Cb -0.41 -2.38 -0.01 0.00 0.02 0.00 0.00 41.25 38.46 2qtm s ASN 39 CO 0.49 -0.47 0.57 -1.58 0.02 0.00 0.00 177.10 176.13 2qtm s GLN 40 N -3.94 3.91 -0.24 -0.60 0.74 -1.26 -4.87 119.66 113.40 2qtm s GLN 40 Ca 0.54 0.22 -0.17 0.00 0.05 0.00 0.00 55.36 55.99 2qtm s GLN 40 Cb -0.10 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 2qtm s GLN 40 CO 0.32 -0.51 0.47 0.42 -0.55 0.00 0.00 175.29 175.44 2qtm s ILE 41 N 2.46 5.12 0.45 -2.34 1.01 -1.26 -3.88 121.20 122.77 2qtm s ILE 41 Ca 0.23 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 61.52 2qtm s ILE 41 Cb -0.15 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2qtm s ILE 41 CO 0.11 0.15 0.92 -2.84 0.00 0.00 0.00 174.94 173.29 2qtm s PRO 42 N 1.91 4.03 -0.02 2.79 0.02 -1.26 -5.00 135.00 137.47 2qtm s PRO 42 Ca 0.20 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 61.85 2qtm s PRO 42 Cb -0.15 -2.21 -0.07 0.00 0.02 0.00 0.00 34.50 32.09 2qtm s PRO 42 CO 0.09 -0.12 1.78 -2.14 -0.33 0.00 0.00 177.00 176.28 2qtm s PRO 43 N -3.63 4.15 -0.22 5.54 0.02 -1.26 -4.93 135.00 134.67 2qtm s PRO 43 Ca 0.59 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.67 2qtm s PRO 43 Cb -0.10 -4.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.33 2qtm s PRO 43 CO 0.24 -0.90 1.88 -1.58 -0.33 0.00 0.00 177.00 176.30 2qtm s HIS 44 N 4.25 1.66 0.20 6.54 2.46 -1.26 -4.89 115.29 124.25 2qtm s HIS 44 Ca 0.79 0.45 -0.10 0.00 0.47 0.00 0.00 55.06 56.68 2qtm s HIS 44 Cb -0.37 -4.05 0.24 0.00 -0.13 0.00 0.00 32.58 28.28 2qtm s HIS 44 CO 0.34 -3.57 1.78 0.87 -2.47 0.00 0.00 174.74 171.69 2qtm h LYS 45 N 12.59 0.52 -0.31 2.88 1.57 -1.96 0.48 116.57 132.34 2qtm h LYS 45 Ca -0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2qtm h LYS 45 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2qtm h LYS 45 CO 0.99 0.34 0.00 0.94 -0.57 0.00 0.00 179.45 181.16 2qtm n GLN 46 N -4.89 0.50 -2.09 3.15 -0.06 -1.26 -4.87 117.38 107.86 2qtm n GLN 46 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2qtm n GLN 46 Cb 0.21 -1.15 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 2qtm n GLN 46 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qtm n GLY 47 N 0.15 -5.45 3.33 1.69 0.00 0.17 -5.08 105.19 100.01 2qtm n GLY 47 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 2qtm n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qtm s ARG 48 N -0.73 0.38 -0.24 1.61 3.00 -1.23 -5.01 118.95 116.72 2qtm s ARG 48 Ca 0.00 1.05 -0.29 0.00 -1.00 0.00 0.00 55.73 55.49 2qtm s ARG 48 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 34.95 35.25 2qtm s ARG 48 CO 0.00 -0.22 1.65 0.34 0.00 0.00 0.00 175.30 177.07 2qtm s ASP 49 N 2.39 6.28 0.15 -2.12 2.15 -1.26 -4.58 116.67 119.68 2qtm s ASP 49 Ca -0.04 1.55 0.10 0.00 0.43 0.00 0.00 52.55 54.59 2qtm s ASP 49 Cb -0.11 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 2qtm s ASP 49 CO -0.14 -1.35 -0.23 0.27 -0.17 0.00 0.00 175.17 173.55 2qtm s ILE 50 N 5.54 2.08 0.52 4.11 -4.36 -1.26 -5.11 121.20 122.71 2qtm s ILE 50 Ca 0.73 -1.80 -0.22 0.00 -0.26 0.00 0.00 60.65 59.10 2qtm s ILE 50 Cb -0.24 -1.90 -0.07 0.00 1.25 0.00 0.00 42.46 41.50 2qtm s ILE 50 CO 0.30 -0.07 1.08 0.41 0.24 0.00 0.00 174.94 176.91 2qtm n THR 51 N 0.69 3.19 -2.75 8.37 -1.04 -1.26 -4.97 114.28 116.51 2qtm n THR 51 Ca -0.16 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 60.99 2qtm n THR 51 Cb 0.55 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.71 2qtm n THR 51 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qtm s SER 52 N -0.95 7.10 0.60 8.00 1.04 -1.26 -4.90 113.70 123.33 2qtm s SER 52 Ca 0.69 1.82 0.32 0.00 0.48 0.00 0.00 55.95 59.26 2qtm s SER 52 Cb -0.47 -2.57 1.85 0.00 0.10 0.00 0.00 66.02 64.94 2qtm s SER 52 CO 0.52 -0.24 2.21 -0.37 0.98 0.00 0.00 173.24 176.33 2qtm h VAL 53 N 2.29 0.41 0.43 5.02 -1.51 -1.97 -2.27 116.25 118.65 2qtm h VAL 53 Ca -0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 2qtm h VAL 53 Cb 1.19 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2qtm h VAL 53 CO 0.63 0.00 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.42 2qtm h GLU 54 N 0.00 -0.57 -0.06 5.19 3.07 -1.99 -1.85 114.58 118.37 2qtm h GLU 54 Ca 0.03 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2qtm h GLU 54 Cb 0.18 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2qtm h GLU 54 CO -0.00 -0.38 -0.13 0.66 -1.40 0.00 0.00 179.01 177.76 2qtm h SER 55 N -0.59 0.09 0.01 1.42 4.64 -1.83 -1.67 113.55 115.62 2qtm h SER 55 Ca -0.06 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 2qtm h SER 55 Cb 0.46 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2qtm h SER 55 CO 0.09 0.23 -0.29 0.03 -0.87 0.00 0.00 176.83 176.02 2qtm h ARG 56 N 0.09 0.42 -0.15 4.77 3.08 -1.43 -0.48 114.38 120.69 2qtm h ARG 56 Ca 0.02 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 2qtm h ARG 56 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2qtm h ARG 56 CO 0.02 0.67 -0.46 1.25 -1.07 0.00 0.00 179.97 180.38 2qtm h LEU 57 N 0.37 0.39 -0.31 3.04 7.12 -0.45 0.19 115.31 125.66 2qtm h LEU 57 Ca 0.05 -0.18 -0.18 0.00 0.13 0.00 0.00 57.88 57.70 2qtm h LEU 57 Cb 0.70 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 2qtm h LEU 57 CO 0.05 0.80 -0.50 -0.61 -0.13 0.00 0.00 178.44 178.05 2qtm h GLN 58 N 0.30 0.89 -0.69 1.25 5.75 -0.86 0.42 115.11 122.17 2qtm h GLN 58 Ca 0.02 -0.54 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 2qtm h GLN 58 Cb 0.92 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 2qtm h GLN 58 CO 0.08 1.18 0.27 0.52 -2.65 0.00 0.00 178.83 178.23 2qtm h MET 59 N 0.69 1.03 -0.51 1.69 2.86 -0.79 0.29 114.93 120.19 2qtm h MET 59 Ca 0.03 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2qtm h MET 59 Cb 1.11 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 2qtm h MET 59 CO 0.12 0.86 0.20 1.25 1.06 0.00 0.00 176.91 180.40 2qtm h LEU 60 N 0.98 0.71 -0.81 1.22 5.85 -0.83 -1.75 115.31 120.68 2qtm h LEU 60 Ca 0.23 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2qtm h LEU 60 Cb 0.22 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2qtm h LEU 60 CO -0.02 0.68 0.17 -0.33 -0.34 0.00 0.00 178.44 178.60 2qtm h GLU 61 N 0.69 1.06 0.07 1.25 4.39 -0.18 -1.80 114.58 120.06 2qtm h GLU 61 Ca 0.17 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2qtm h GLU 61 Cb 0.20 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2qtm h GLU 61 CO -0.01 0.93 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.65 2qtm h LEU 62 N 1.01 -0.13 -0.16 1.33 3.38 0.02 -0.71 115.31 120.04 2qtm h LEU 62 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2qtm h LEU 62 Cb 0.35 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qtm h LEU 62 CO 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.45 2qtm n ALA 63 N -2.18 1.80 -0.02 1.53 0.00 -0.70 -3.39 120.51 117.56 2qtm n ALA 63 Ca -0.07 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2qtm n ALA 63 Cb 0.09 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 2qtm n ALA 63 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qtm n THR 64 N -1.71 0.13 0.00 0.00 5.66 -0.69 -4.81 114.28 112.85 2qtm n THR 64 Ca 0.04 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2qtm n THR 64 Cb 0.22 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2qtm n THR 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2qtm n GLU 65 N -2.15 0.00 0.20 1.09 1.02 -0.31 -2.24 120.64 118.25 2qtm n GLU 65 Ca -0.06 0.50 0.06 0.00 -0.02 0.00 0.00 57.16 57.64 2qtm n GLU 65 Cb 0.51 -0.90 0.32 0.00 -0.02 0.00 0.00 31.44 31.36 2qtm n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtm h ALA 66 N -1.40 1.32 -2.88 0.62 0.00 -1.87 -3.39 119.26 111.66 2qtm h ALA 66 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2qtm h ALA 66 Cb 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.55 2qtm h ALA 66 CO 0.00 -0.32 -0.55 -1.21 0.00 0.00 0.00 179.25 177.16 2qtm s GLU 67 N -3.39 3.10 0.39 0.00 8.01 -0.95 -4.94 118.70 120.91 2qtm s GLU 67 Ca -0.01 -0.88 0.09 0.00 0.01 0.00 0.00 54.97 54.17 2qtm s GLU 67 Cb 0.03 -3.60 0.79 0.00 -4.31 0.00 0.00 34.13 27.05 2qtm s GLU 67 CO 0.11 -0.53 1.94 1.49 0.01 0.00 0.00 175.26 178.28 2qtm h GLU 68 N 8.36 0.30 -0.07 1.61 4.81 -1.84 -2.32 114.58 125.43 2qtm h GLU 68 Ca -0.29 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2qtm h GLU 68 Cb 1.13 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2qtm h GLU 68 CO 0.63 0.38 0.00 -2.39 -0.73 0.00 0.00 179.01 176.90 2qtm n HIS 69 N -4.31 0.09 -4.62 0.92 1.44 -1.26 -4.78 115.22 102.69 2qtm n HIS 69 Ca -0.00 -0.04 -0.33 0.00 -2.01 0.00 0.00 57.72 55.34 2qtm n HIS 69 Cb 0.23 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.18 2qtm n HIS 69 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qtm s PHE 70 N -1.91 2.74 0.20 -1.40 2.99 -0.88 -1.43 117.98 118.29 2qtm s PHE 70 Ca 0.30 -1.09 0.01 0.00 0.00 0.00 0.00 56.93 56.14 2qtm s PHE 70 Cb 0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 43.02 41.27 2qtm s PHE 70 CO 0.24 -0.49 0.06 -1.12 -0.00 0.00 0.00 175.22 173.91 2qtm s SER 71 N 0.76 0.93 -0.17 1.36 0.01 -0.97 -4.86 113.70 110.76 2qtm s SER 71 Ca -0.07 -1.29 -0.07 0.00 1.31 0.00 0.00 55.95 55.83 2qtm s SER 71 Cb -0.16 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 2qtm s SER 71 CO 0.00 -0.69 0.05 -0.63 0.41 0.00 0.00 173.24 172.38 2qtm s ILE 72 N -3.82 4.72 -0.21 1.44 1.01 -1.26 -0.55 121.20 122.52 2qtm s ILE 72 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 2qtm s ILE 72 Cb 0.07 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2qtm s ILE 72 CO 0.09 0.48 0.05 0.00 0.00 0.00 0.00 174.94 175.55 2qtm n LEU 74 N 4.15 4.67 -0.17 0.00 4.77 -1.26 -4.01 117.00 125.15 2qtm n LEU 74 Ca -0.16 -2.36 -0.01 0.00 -0.03 0.00 0.00 56.01 53.45 2qtm n LEU 74 Cb 0.52 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2qtm n LEU 74 CO 0.33 0.76 0.90 -0.08 -1.33 0.00 0.00 177.39 177.97 2qtm h GLU 75 N 3.91 0.22 -0.04 3.23 4.57 -1.94 -2.18 114.58 122.35 2qtm h GLU 75 Ca 0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 2qtm h GLU 75 Cb 1.45 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2qtm h GLU 75 CO 0.25 0.15 -0.65 0.93 -1.18 0.00 0.00 179.01 178.51 2qtm h GLU 76 N 0.23 0.16 0.00 1.92 5.08 -1.83 -2.88 114.58 117.27 2qtm h GLU 76 Ca 0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2qtm h GLU 76 Cb 0.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2qtm h GLU 76 CO -0.36 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 179.68 2qtm n LEU 77 N -3.82 0.00 0.04 1.33 4.77 -0.91 -2.99 117.00 115.41 2qtm n LEU 77 Ca -0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2qtm n LEU 77 Cb 0.64 -0.35 0.21 0.00 -2.33 0.00 0.00 43.42 41.59 2qtm n LEU 77 CO 0.44 -0.09 0.39 -1.20 -1.33 0.00 0.00 177.39 175.60 2qtm n SER 78 N -1.35 0.61 -4.93 -1.43 7.64 -0.87 -4.89 113.62 108.40 2qtm n SER 78 Ca 0.09 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.77 2qtm n SER 78 Cb 0.20 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 2qtm n SER 78 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2qtm s ARG 79 N -3.11 3.20 -0.22 1.43 1.81 -1.16 -5.07 118.95 115.82 2qtm s ARG 79 Ca 0.08 -0.92 -0.19 0.00 -1.72 0.00 0.00 55.73 52.98 2qtm s ARG 79 Cb 0.15 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.86 2qtm s ARG 79 CO 0.71 0.33 0.55 0.21 -0.68 0.00 0.00 175.30 176.42 2qtm s LYS 80 N -3.98 4.15 0.00 3.54 2.47 -1.26 -4.86 119.74 119.80 2qtm s LYS 80 Ca 0.36 0.44 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 2qtm s LYS 80 Cb -0.09 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 2qtm s LYS 80 CO 0.28 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 175.95 2qtm n GLY 81 N 4.04 -1.70 3.73 5.54 0.00 -1.26 -4.96 105.19 110.58 2qtm n GLY 81 Ca -0.04 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 2qtm n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qtm n PRO 82 N -0.79 1.43 -4.25 1.61 -0.04 -1.25 -4.89 135.00 126.82 2qtm n PRO 82 Ca 0.00 0.54 -0.19 0.00 -0.04 0.00 0.00 63.50 63.81 2qtm n PRO 82 Cb 0.00 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 30.80 2qtm n PRO 82 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2qtm s SER 83 N -1.12 2.11 0.44 3.54 1.04 -1.26 -5.06 113.70 113.39 2qtm s SER 83 Ca 0.76 -0.81 -0.23 0.00 0.48 0.00 0.00 55.95 56.16 2qtm s SER 83 Cb -0.40 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 65.55 2qtm s SER 83 CO 0.45 -0.12 1.10 -0.31 0.98 0.00 0.00 173.24 175.35 2qtm s TYR 84 N -2.06 3.05 0.30 5.02 1.51 -1.26 -4.90 117.35 119.02 2qtm s TYR 84 Ca 0.09 1.59 0.05 0.00 -1.01 0.00 0.00 57.07 57.79 2qtm s TYR 84 Cb -0.05 -3.24 0.72 0.00 -0.11 0.00 0.00 41.96 39.28 2qtm s TYR 84 CO 0.04 -1.06 1.78 1.15 -1.11 0.00 0.00 175.55 176.34 2qtm h THR 85 N 1.97 0.72 0.13 -0.71 2.02 -2.00 -1.58 112.91 113.46 2qtm h THR 85 Ca -0.49 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2qtm h THR 85 Cb 1.23 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2qtm h THR 85 CO 0.61 0.14 -0.29 0.22 0.37 0.00 0.00 175.52 176.57 2qtm h TYR 86 N 0.77 -0.78 -0.44 3.16 3.20 -1.92 -0.44 116.97 120.51 2qtm h TYR 86 Ca 0.57 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.51 2qtm h TYR 86 Cb 0.87 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 2qtm h TYR 86 CO -0.01 -0.40 0.16 -0.44 -1.64 0.00 0.00 178.16 175.83 2qtm h ASP 87 N -0.51 0.17 -0.95 -2.11 3.45 -1.68 0.58 116.42 115.37 2qtm h ASP 87 Ca 0.03 0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.56 2qtm h ASP 87 Cb 0.54 0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.29 2qtm h ASP 87 CO -0.16 0.13 0.62 0.74 -1.57 0.00 0.00 179.24 179.00 2qtm h THR 88 N 0.33 1.20 0.00 0.35 2.02 -1.06 -1.79 112.91 113.96 2qtm h THR 88 Ca 0.21 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 66.76 2qtm h THR 88 Cb 0.20 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2qtm h THR 88 CO -0.21 0.22 -0.90 0.24 0.37 0.00 0.00 175.52 175.25 2qtm h MET 89 N 1.23 0.27 -0.43 6.66 2.86 -0.44 -0.80 114.93 124.28 2qtm h MET 89 Ca 0.36 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2qtm h MET 89 Cb -0.06 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 2qtm h MET 89 CO -0.10 1.01 0.16 1.25 1.06 0.00 0.00 176.91 180.29 2qtm h LEU 90 N 0.15 0.18 -0.43 1.22 6.46 -0.32 0.55 115.31 123.13 2qtm h LEU 90 Ca -0.06 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2qtm h LEU 90 Cb 1.53 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 2qtm h LEU 90 CO 0.14 0.14 -0.03 1.56 -0.62 0.00 0.00 178.44 179.63 2qtm h GLN 91 N 0.34 0.78 -0.44 1.25 1.08 -1.18 -2.17 115.11 114.76 2qtm h GLN 91 Ca 0.20 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2qtm h GLN 91 Cb 0.18 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2qtm h GLN 91 CO -0.19 0.87 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.37 2qtm h LEU 92 N 0.61 0.80 0.49 1.46 3.38 -0.61 -0.76 115.31 120.68 2qtm h LEU 92 Ca 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2qtm h LEU 92 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2qtm h LEU 92 CO 0.03 0.93 -0.23 0.74 0.09 0.00 0.00 178.44 180.00 2qtm h THR 93 N 0.73 0.52 0.00 0.22 2.02 0.20 0.05 112.91 116.65 2qtm h THR 93 Ca 0.12 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2qtm h THR 93 Cb 0.61 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2qtm h THR 93 CO 0.04 0.01 -0.10 0.11 0.37 0.00 0.00 175.52 175.95 2qtm h LYS 94 N -0.69 0.00 0.00 6.66 1.57 -1.33 -1.06 116.57 121.72 2qtm h LYS 94 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qtm h LYS 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2qtm h LYS 94 CO 0.11 0.10 -0.68 -0.22 -0.57 0.00 0.00 179.45 178.20 2qtm h LYS 95 N 0.00 0.00 -1.45 3.15 3.64 -0.88 -3.39 116.57 117.64 2qtm h LYS 95 Ca -0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 2qtm h LYS 95 Cb 0.31 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.81 2qtm h LYS 95 CO 0.01 0.00 -0.93 0.66 -2.27 0.00 0.00 179.45 176.92 2qtm n TYR 96 N -2.73 -1.23 1.04 1.91 4.02 -0.02 -4.98 117.16 115.17 2qtm n TYR 96 Ca 0.01 -3.04 0.08 0.00 -0.01 0.00 0.00 57.90 54.95 2qtm n TYR 96 Cb 0.53 0.21 0.50 0.00 -0.02 0.00 0.00 39.34 40.56 2qtm n TYR 96 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2qtm n PRO 97 N 1.52 0.51 0.01 -0.72 -0.04 -0.44 -2.17 135.00 133.66 2qtm n PRO 97 Ca 0.18 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2qtm n PRO 97 Cb 0.56 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2qtm n PRO 97 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qtm n ASP 98 N -1.02 0.69 -4.83 3.54 5.75 -1.26 -4.94 116.55 114.47 2qtm n ASP 98 Ca 0.12 -0.47 -0.33 0.00 -0.01 0.00 0.00 54.79 54.11 2qtm n ASP 98 Cb 0.06 0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 40.78 2qtm n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qtm s VAL 99 N -3.07 5.00 -0.33 2.12 1.01 -0.92 -2.84 120.40 121.36 2qtm s VAL 99 Ca 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2qtm s VAL 99 Cb 0.16 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 33.29 2qtm s VAL 99 CO 0.79 0.30 0.04 0.00 0.00 0.00 0.00 175.10 176.23 2qtm s GLN 100 N -1.95 1.89 0.47 2.72 -2.07 -1.05 -4.94 119.66 114.72 2qtm s GLN 100 Ca 0.26 -1.67 -0.21 0.00 -1.82 0.00 0.00 55.36 51.92 2qtm s GLN 100 Cb -0.12 -3.22 -0.08 0.00 -1.09 0.00 0.00 33.01 28.50 2qtm s GLN 100 CO 0.18 -0.84 1.05 -0.06 -1.32 0.00 0.00 175.29 174.30 2qtm s PHE 101 N 1.04 3.04 -0.31 9.60 0.40 -1.26 -2.42 117.98 128.07 2qtm s PHE 101 Ca 0.04 1.59 0.03 0.00 -0.60 0.00 0.00 56.93 57.98 2qtm s PHE 101 Cb -0.20 -3.11 0.09 0.00 0.51 0.00 0.00 43.02 40.31 2qtm s PHE 101 CO -0.06 -0.86 0.03 -1.01 0.70 0.00 0.00 175.22 174.03 2qtm s HIS 102 N -1.87 3.15 -0.33 0.36 3.76 0.11 -1.04 115.29 119.42 2qtm s HIS 102 Ca 0.65 -2.54 -0.29 0.00 -0.15 0.00 0.00 55.06 52.73 2qtm s HIS 102 Cb -0.19 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.09 2qtm s HIS 102 CO 0.23 -0.91 1.20 0.12 -0.85 0.00 0.00 174.74 174.53 2qtm s PHE 103 N 1.12 2.87 -0.22 1.40 5.36 -0.48 -1.09 117.98 126.95 2qtm s PHE 103 Ca 0.07 0.97 -0.17 0.00 -0.96 0.00 0.00 56.93 56.83 2qtm s PHE 103 Cb -0.19 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.56 2qtm s PHE 103 CO -0.11 -1.31 0.47 0.42 -1.46 0.00 0.00 175.22 173.24 2qtm s ILE 104 N 4.13 5.13 0.10 3.12 1.01 0.05 -0.67 121.20 134.07 2qtm s ILE 104 Ca 0.51 0.85 0.03 0.00 0.00 0.00 0.00 60.65 62.04 2qtm s ILE 104 Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2qtm s ILE 104 CO 0.21 0.18 -0.08 0.27 0.00 0.00 0.00 174.94 175.52 2qtm s ILE 105 N 1.70 0.85 0.33 2.92 -5.25 0.50 -4.64 121.20 117.60 2qtm s ILE 105 Ca 0.21 -1.82 -0.29 0.00 -0.99 0.00 0.00 60.65 57.77 2qtm s ILE 105 Cb -0.15 -1.55 -0.10 0.00 2.95 0.00 0.00 42.46 43.60 2qtm s ILE 105 CO 0.09 -0.73 1.29 -0.83 -1.79 0.00 0.00 174.94 172.97 2qtm s GLY 106 N -2.80 3.01 0.43 6.27 0.00 -1.26 -0.86 107.32 112.10 2qtm s GLY 106 Ca 0.10 1.22 0.18 0.00 0.00 0.00 0.00 44.72 46.22 2qtm s GLY 106 CO -0.02 1.87 1.87 -1.33 0.00 0.00 0.00 173.10 175.49 2qtm h GLY 107 N 3.43 0.78 2.00 0.20 0.00 -0.05 0.22 103.07 109.64 2qtm h GLY 107 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2qtm h GLY 107 CO 0.66 0.01 0.00 -0.55 0.00 0.00 0.00 176.54 176.65 2qtm h ASP 108 N 0.38 0.00 1.50 0.19 3.32 -1.91 -2.65 116.42 117.25 2qtm h ASP 108 Ca 0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2qtm h ASP 108 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2qtm h ASP 108 CO -0.15 0.00 -0.51 0.24 -1.72 0.00 0.00 179.24 177.10 2qtm h MET 109 N 0.00 0.00 -0.78 3.56 2.86 -0.93 -3.38 114.93 116.26 2qtm h MET 109 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 2qtm h MET 109 Cb 0.45 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.00 2qtm h MET 109 CO 0.00 0.07 0.27 0.28 1.06 0.00 0.00 176.91 178.59 2qtm h VAL 110 N 0.00 0.56 0.00 -2.22 2.07 -1.37 -2.19 116.25 113.10 2qtm h VAL 110 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2qtm h VAL 110 Cb 1.08 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2qtm h VAL 110 CO 0.01 0.07 -0.15 1.05 0.02 0.00 0.00 177.57 178.57 2qtm h GLU 111 N 0.37 0.00 -0.03 1.57 4.11 -1.78 -1.97 114.58 116.84 2qtm h GLU 111 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 2qtm h GLU 111 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qtm h GLU 111 CO -0.48 0.15 0.00 0.66 0.07 0.00 0.00 179.01 179.41 2qtm n TYR 112 N -3.82 0.04 -0.34 2.06 4.02 -0.82 -4.25 117.16 114.05 2qtm n TYR 112 Ca -0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 57.90 57.86 2qtm n TYR 112 Cb 0.25 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.72 2qtm n TYR 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2qtm h LEU 113 N 0.45 0.95 -2.59 7.72 3.38 -1.44 -2.61 115.31 121.17 2qtm h LEU 113 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qtm h LEU 113 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qtm h LEU 113 CO 0.00 0.61 0.12 -0.65 0.09 0.00 0.00 178.44 178.60 2qtm h PRO 114 N 1.08 0.00 -0.55 1.13 0.11 -1.83 -0.38 132.00 131.57 2qtm h PRO 114 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2qtm h PRO 114 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2qtm h PRO 114 CO -0.17 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.25 2qtm n LYS 115 N -3.20 2.29 -2.72 1.05 5.02 -0.98 -4.93 118.16 114.69 2qtm n LYS 115 Ca -0.02 -1.95 -0.40 0.00 -2.02 0.00 0.00 58.31 53.92 2qtm n LYS 115 Cb 0.19 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2qtm n LYS 115 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2qtm s TRP 116 N -1.30 3.94 -0.02 2.13 0.52 -0.15 -4.96 118.94 119.09 2qtm s TRP 116 Ca 0.36 1.89 -0.30 0.00 0.02 0.00 0.00 56.10 58.07 2qtm s TRP 116 Cb 0.19 -3.01 -0.09 0.00 -1.15 0.00 0.00 33.47 29.41 2qtm s TRP 116 CO 0.24 0.36 2.00 0.98 0.02 0.00 0.00 176.95 180.55 2qtm n TYR 117 N 1.53 2.40 -2.52 -1.98 9.36 -1.26 -2.16 117.16 122.52 2qtm n TYR 117 Ca -0.02 -0.28 -0.21 0.00 3.32 0.00 0.00 57.90 60.72 2qtm n TYR 117 Cb 0.47 -2.77 -0.00 0.00 -0.63 0.00 0.00 39.34 36.41 2qtm n TYR 117 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2qtm n ASN 118 N 8.04 -5.79 0.15 2.98 3.02 -1.26 -4.48 115.26 117.91 2qtm n ASN 118 Ca 0.22 -0.05 0.16 0.00 -0.03 0.00 0.00 54.58 54.88 2qtm n ASN 118 Cb 0.39 -4.80 0.75 0.00 -0.61 0.00 0.00 39.78 35.52 2qtm n ASN 118 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2qtm h ILE 119 N -0.25 0.64 -0.46 2.41 2.10 -1.77 0.18 117.51 120.37 2qtm h ILE 119 Ca -0.49 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 2qtm h ILE 119 Cb 1.36 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.90 2qtm h ILE 119 CO 0.57 0.00 0.04 -0.33 -1.08 0.00 0.00 178.15 177.35 2qtm h GLU 120 N 0.00 0.78 -0.23 2.19 3.07 -1.90 -0.74 114.58 117.75 2qtm h GLU 120 Ca 0.12 -0.23 -0.19 0.00 -0.50 0.00 0.00 59.36 58.57 2qtm h GLU 120 Cb 0.57 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2qtm h GLU 120 CO -0.00 0.82 -0.61 0.00 -1.40 0.00 0.00 179.01 177.82 2qtm h ALA 121 N 0.93 0.48 -0.57 3.43 0.00 -1.56 -3.20 119.26 118.78 2qtm h ALA 121 Ca 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2qtm h ALA 121 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2qtm h ALA 121 CO 0.02 0.69 0.31 1.25 0.00 0.00 0.00 179.25 181.51 2qtm h LEU 122 N 0.59 0.69 -2.40 0.00 5.85 -0.82 -1.63 115.31 117.58 2qtm h LEU 122 Ca -0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2qtm h LEU 122 Cb 1.21 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2qtm h LEU 122 CO 0.13 0.56 0.04 -0.07 -0.34 0.00 0.00 178.44 178.75 2qtm h LEU 123 N 0.79 0.00 0.00 2.25 3.38 -1.12 -1.38 115.31 119.22 2qtm h LEU 123 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2qtm h LEU 123 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qtm h LEU 123 CO -0.03 0.00 -0.74 0.47 0.09 0.00 0.00 178.44 178.23 2qtm n ASP 124 N -3.88 0.67 -0.02 -0.43 8.00 -0.62 -4.15 116.55 116.12 2qtm n ASP 124 Ca -0.02 0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2qtm n ASP 124 Cb 0.12 0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2qtm n ASP 124 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qtm h LEU 125 N 0.00 0.30 -9.27 0.64 3.38 -1.17 -3.49 115.31 105.69 2qtm h LEU 125 Ca 0.00 -0.82 -0.49 0.00 0.09 0.00 0.00 57.88 56.67 2qtm h LEU 125 Cb 0.74 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 2qtm h LEU 125 CO 0.00 1.74 -0.60 0.54 0.09 0.00 0.00 178.44 180.21 2qtm s VAL 126 N -2.50 1.20 -0.23 1.22 0.11 -0.74 -4.66 120.40 114.81 2qtm s VAL 126 Ca -0.24 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 56.80 2qtm s VAL 126 Cb 0.06 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 32.16 2qtm s VAL 126 CO 0.72 0.00 -0.10 0.28 -3.33 0.00 0.00 175.10 172.67 2qtm s THR 127 N -3.26 2.64 0.35 5.04 -1.32 -0.20 -4.62 115.64 114.27 2qtm s THR 127 Ca 0.35 -1.02 -0.27 0.00 -1.21 0.00 0.00 61.69 59.54 2qtm s THR 127 Cb 0.08 -2.30 -0.09 0.00 -1.51 0.00 0.00 72.50 68.68 2qtm s THR 127 CO 0.15 0.28 1.22 -0.36 -2.21 0.00 0.00 174.62 173.71 2qtm s PHE 128 N 1.31 3.13 -0.12 9.09 0.08 -1.26 -1.38 117.98 128.83 2qtm s PHE 128 Ca 0.01 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 58.57 2qtm s PHE 128 Cb -0.16 -3.52 0.03 0.00 -0.57 0.00 0.00 43.02 38.80 2qtm s PHE 128 CO -0.07 -1.47 -0.07 0.08 -0.10 0.00 0.00 175.22 173.60 2qtm s VAL 129 N -1.24 0.99 -0.20 -0.44 1.01 0.15 -1.66 120.40 119.02 2qtm s VAL 129 Ca 0.51 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2qtm s VAL 129 Cb -0.35 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2qtm s VAL 129 CO 0.46 0.31 0.09 -0.83 0.00 0.00 0.00 175.10 175.14 2qtm s GLY 130 N 1.71 1.95 -0.20 4.51 0.00 0.08 -0.37 107.32 115.01 2qtm s GLY 130 Ca 0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 2qtm s GLY 130 CO -0.08 0.15 0.09 0.14 0.00 0.00 0.00 173.10 173.40 2qtm s VAL 131 N 0.52 4.94 0.16 1.40 1.01 -0.04 -1.31 120.40 127.09 2qtm s VAL 131 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2qtm s VAL 131 Cb -0.12 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2qtm s VAL 131 CO 0.00 0.44 0.29 0.00 0.00 0.00 0.00 175.10 175.83 2qtm s ALA 132 N 0.51 -0.06 0.55 5.51 0.00 -0.98 0.70 121.76 127.98 2qtm s ALA 132 Ca 0.05 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2qtm s ALA 132 Cb -0.12 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2qtm s ALA 132 CO 0.00 -0.64 1.25 1.03 0.00 0.00 0.00 175.76 177.41 2qtm s ARG 133 N -3.95 3.21 0.37 0.00 0.52 -1.25 -0.05 118.95 117.79 2qtm s ARG 133 Ca 0.16 1.96 -0.26 0.00 -0.52 0.00 0.00 55.73 57.07 2qtm s ARG 133 Cb 0.03 -2.16 -0.12 0.00 0.52 0.00 0.00 34.95 33.22 2qtm s ARG 133 CO -0.01 -1.05 1.08 -2.30 0.02 0.00 0.00 175.30 173.04 2qtm n PRO 134 N -1.13 1.55 0.00 3.54 -0.02 -1.26 -2.58 135.00 135.11 2qtm n PRO 134 Ca 0.11 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2qtm n PRO 134 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2qtm n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtm n GLY 135 N 1.08 1.94 3.76 -1.23 0.00 -1.26 -5.00 105.19 104.48 2qtm n GLY 135 Ca 0.08 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2qtm n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qtm s TYR 136 N -0.37 2.68 0.07 1.61 5.04 -1.06 -5.01 117.35 120.31 2qtm s TYR 136 Ca 0.00 0.99 0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2qtm s TYR 136 Cb 0.00 -4.03 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 2qtm s TYR 136 CO 0.00 -3.24 0.20 0.15 -1.34 0.00 0.00 175.55 171.32 2qtm s LYS 137 N -1.30 3.36 -0.80 4.97 3.01 -1.26 -4.88 119.74 122.85 2qtm s LYS 137 Ca 0.58 -0.49 -0.08 0.00 -1.01 0.00 0.00 55.97 54.97 2qtm s LYS 137 Cb -0.47 -2.99 0.21 0.00 -1.01 0.00 0.00 37.83 33.57 2qtm s LYS 137 CO 0.55 0.60 0.70 -0.51 0.51 0.00 0.00 175.35 177.19 2qtm s LEU 138 N -2.56 6.00 0.02 3.17 1.43 -1.26 -5.04 118.68 120.44 2qtm s LEU 138 Ca 0.34 -3.02 -0.30 0.00 -1.03 0.00 0.00 54.13 50.12 2qtm s LEU 138 Cb -0.13 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2qtm s LEU 138 CO 0.27 -0.41 1.73 -0.13 0.23 0.00 0.00 176.35 178.04 2qtm s ARG 139 N -0.32 4.18 -0.20 1.70 0.52 -1.26 -4.95 118.95 118.62 2qtm s ARG 139 Ca 0.21 2.36 -0.30 0.00 -0.52 0.00 0.00 55.73 57.47 2qtm s ARG 139 Cb -0.13 -3.84 0.15 0.00 0.52 0.00 0.00 34.95 31.64 2qtm s ARG 139 CO -0.07 -0.82 1.13 -0.08 0.02 0.00 0.00 175.30 175.48 2qtm s THR 140 N 3.49 0.00 -1.68 0.02 -1.32 -1.26 -4.63 115.64 110.25 2qtm s THR 140 Ca 0.77 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.55 2qtm s THR 140 Cb -0.39 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.19 2qtm s THR 140 CO 0.33 0.00 2.00 -0.81 -2.21 0.00 0.00 174.62 173.94 2qtm n PRO 141 N 0.62 0.71 -3.98 7.08 -0.04 -1.26 -4.88 135.00 133.25 2qtm n PRO 141 Ca -0.06 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2qtm n PRO 141 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2qtm n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qtm s TYR 142 N -2.39 3.37 -1.00 0.54 1.51 -1.26 -5.03 117.35 113.09 2qtm s TYR 142 Ca 0.33 0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 56.30 2qtm s TYR 142 Cb 0.21 -1.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.38 2qtm s TYR 142 CO 0.44 0.55 1.73 -2.14 -1.11 0.00 0.00 175.55 175.02 2qtm s PRO 143 N -2.68 3.07 0.02 -1.71 0.02 -1.26 -4.96 135.00 127.50 2qtm s PRO 143 Ca 0.33 -0.82 0.02 0.00 0.02 0.00 0.00 61.00 60.55 2qtm s PRO 143 Cb -0.12 -5.23 -0.04 0.00 0.02 0.00 0.00 34.50 29.13 2qtm s PRO 143 CO 0.26 -2.89 -0.00 0.42 -0.33 0.00 0.00 177.00 174.46 2qtm s ILE 144 N 7.71 4.08 -0.24 2.83 1.01 -1.26 -4.69 121.20 130.64 2qtm s ILE 144 Ca 0.59 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 2qtm s ILE 144 Cb -0.03 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2qtm s ILE 144 CO -0.03 0.32 0.47 -0.89 0.00 0.00 0.00 174.94 174.82 2qtm s THR 145 N -1.13 5.12 0.00 2.92 2.01 -0.66 -4.94 115.64 118.96 2qtm s THR 145 Ca 0.21 0.80 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 2qtm s THR 145 Cb -0.12 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2qtm s THR 145 CO 0.12 0.14 0.17 0.42 -0.69 0.00 0.00 174.62 174.78 2qtm s THR 146 N 1.97 5.34 -0.06 -0.82 -4.23 -1.26 -0.74 115.64 115.83 2qtm s THR 146 Ca 0.20 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2qtm s THR 146 Cb -0.15 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.21 2qtm s THR 146 CO 0.09 0.30 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.77 2qtm s VAL 147 N -1.33 0.40 0.03 2.29 1.01 -0.43 -4.93 120.40 117.44 2qtm s VAL 147 Ca 0.28 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 2qtm s VAL 147 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2qtm s VAL 147 CO 0.19 0.25 1.12 -1.61 0.00 0.00 0.00 175.10 175.05 2qtm s GLU 148 N 1.68 4.47 0.00 2.72 2.02 -1.26 -2.32 118.70 126.01 2qtm s GLU 148 Ca 0.01 1.64 -0.05 0.00 0.02 0.00 0.00 54.97 56.59 2qtm s GLU 148 Cb -0.13 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 2qtm s GLU 148 CO -0.04 -0.21 0.08 0.42 0.02 0.00 0.00 175.26 175.54 2qtm s ILE 149 N 1.15 0.08 -1.28 -1.63 1.01 0.92 -4.92 121.20 116.54 2qtm s ILE 149 Ca 0.56 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 2qtm s ILE 149 Cb -0.26 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 41.92 2qtm s ILE 149 CO 0.28 -0.38 1.74 -2.16 0.00 0.00 0.00 174.94 174.42 2qtm s PRO 150 N -1.25 3.88 0.12 2.79 0.04 -1.26 -3.87 135.00 135.45 2qtm s PRO 150 Ca -0.14 -1.92 -0.35 0.00 0.04 0.00 0.00 61.00 58.63 2qtm s PRO 150 Cb -0.08 -5.52 -0.15 0.00 0.04 0.00 0.00 34.50 28.79 2qtm s PRO 150 CO 0.01 -2.36 1.45 -1.91 0.04 0.00 0.00 177.00 174.22 2qtm n GLU 151 N 8.41 1.60 -3.47 4.56 2.13 -1.26 -4.97 120.64 127.64 2qtm n GLU 151 Ca 0.48 0.58 -0.43 0.00 0.66 0.00 0.00 57.16 58.45 2qtm n GLU 151 Cb 0.46 -2.28 -0.08 0.00 0.27 0.00 0.00 31.44 29.81 2qtm n GLU 151 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2qtm s PHE 152 N 0.68 3.30 0.00 4.31 5.99 -1.26 -4.97 117.98 126.02 2qtm s PHE 152 Ca 0.82 -1.30 0.00 0.00 0.00 0.00 0.00 56.93 56.45 2qtm s PHE 152 Cb -0.83 -3.22 0.00 0.00 0.00 0.00 0.00 43.02 38.98 2qtm s PHE 152 CO 0.43 -0.87 1.24 0.00 -0.00 0.00 0.00 175.22 176.02 2qtm n ALA 153 N 5.07 3.01 -2.46 11.12 0.00 -1.26 -4.71 120.51 131.28 2qtm n ALA 153 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 2qtm n ALA 153 Cb 0.43 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 2qtm n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtm s VAL 154 N 0.52 4.97 0.07 0.00 0.11 -1.26 -5.10 120.40 119.71 2qtm s VAL 154 Ca 0.00 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2qtm s VAL 154 Cb 0.00 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 2qtm s VAL 154 CO 0.00 0.06 -0.06 -0.94 -3.33 0.00 0.00 175.10 170.83 2qtm s SER 155 N -2.15 0.92 0.22 3.54 1.04 -1.26 -4.75 113.70 111.26 2qtm s SER 155 Ca 0.42 -0.81 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 2qtm s SER 155 Cb -0.12 0.08 0.24 0.00 0.10 0.00 0.00 66.02 66.32 2qtm s SER 155 CO 0.21 -0.37 1.85 0.28 0.98 0.00 0.00 173.24 176.19 2qtm h SER 156 N 3.64 0.77 -0.25 7.02 0.02 -1.88 -1.43 113.55 121.45 2qtm h SER 156 Ca -0.35 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 2qtm h SER 156 Cb 1.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2qtm h SER 156 CO 0.55 0.52 -0.19 0.77 -1.14 0.00 0.00 176.83 177.34 2qtm h SER 157 N 0.92 0.70 -0.19 3.07 4.64 -1.93 -0.01 113.55 120.74 2qtm h SER 157 Ca 0.32 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2qtm h SER 157 Cb 0.06 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2qtm h SER 157 CO -0.13 0.89 -0.06 0.25 -0.87 0.00 0.00 176.83 176.91 2qtm h LEU 158 N 0.62 0.50 -0.00 5.97 6.46 -1.85 -2.48 115.31 124.52 2qtm h LEU 158 Ca 0.09 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2qtm h LEU 158 Cb 0.67 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2qtm h LEU 158 CO 0.05 0.61 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.41 2qtm h LEU 159 N 0.49 0.00 -1.51 2.25 3.38 -0.27 -1.91 115.31 117.75 2qtm h LEU 159 Ca 0.10 -0.50 0.25 0.00 0.09 0.00 0.00 57.88 57.81 2qtm h LEU 159 Cb 0.41 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2qtm h LEU 159 CO 0.02 0.51 0.65 0.03 0.09 0.00 0.00 178.44 179.74 2qtm h ARG 160 N -0.50 0.34 -0.17 1.13 3.08 -0.93 0.44 114.38 117.76 2qtm h ARG 160 Ca 0.00 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 2qtm h ARG 160 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2qtm h ARG 160 CO 0.00 0.22 -0.70 1.49 -1.07 0.00 0.00 179.97 179.91 2qtm h GLU 161 N 0.35 0.70 -0.34 0.04 4.81 -1.27 -2.74 114.58 116.13 2qtm h GLU 161 Ca 0.53 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qtm h GLU 161 Cb 1.44 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 2qtm h GLU 161 CO -0.21 1.15 0.07 0.00 -0.73 0.00 0.00 179.01 179.30 2qtm h ARG 162 N 0.50 0.55 -0.18 1.92 2.47 -0.12 -2.52 114.38 117.00 2qtm h ARG 162 Ca -0.03 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2qtm h ARG 162 Cb 1.31 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 2qtm h ARG 162 CO 0.14 0.62 0.03 1.88 0.56 0.00 0.00 179.97 183.20 2qtm h TYR 163 N 0.40 0.26 0.02 3.04 -1.99 -1.37 0.86 116.97 118.18 2qtm h TYR 163 Ca 0.11 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.70 2qtm h TYR 163 Cb 0.32 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 38.98 2qtm h TYR 163 CO 0.02 0.25 -0.51 -0.22 -0.00 0.00 0.00 178.16 177.69 2qtm h LYS 164 N 0.26 0.32 -0.64 4.88 3.11 -1.33 -3.17 116.57 119.99 2qtm h LYS 164 Ca 0.06 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2qtm h LYS 164 Cb 0.13 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2qtm h LYS 164 CO -0.00 1.07 0.00 0.39 -2.81 0.00 0.00 179.45 178.10 2qtm n GLU 165 N -4.30 2.27 -3.49 1.90 1.02 -0.96 -4.90 120.64 112.18 2qtm n GLU 165 Ca -0.11 -1.21 -0.25 0.00 -0.02 0.00 0.00 57.16 55.57 2qtm n GLU 165 Cb 0.64 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2qtm n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qtm n LYS 166 N 0.30 -3.55 -2.35 3.49 4.01 -0.16 -4.96 118.16 114.93 2qtm n LYS 166 Ca 0.11 0.48 -0.27 0.00 -0.51 0.00 0.00 58.31 58.12 2qtm n LYS 166 Cb 0.50 -5.21 0.03 0.00 -0.51 0.00 0.00 35.03 29.85 2qtm n LYS 166 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qtm s LYS 167 N -6.15 2.87 0.53 1.97 1.02 0.28 -4.98 119.74 115.28 2qtm s LYS 167 Ca 0.46 0.01 -0.22 0.00 0.02 0.00 0.00 55.97 56.24 2qtm s LYS 167 Cb -0.24 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 2qtm s LYS 167 CO 0.56 -0.76 1.29 -0.08 -0.92 0.00 0.00 175.35 175.45 2qtm s THR 168 N -3.03 2.39 0.00 2.17 -1.32 -1.26 -4.49 115.64 110.10 2qtm s THR 168 Ca 0.55 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 2qtm s THR 168 Cb -0.11 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.75 2qtm s THR 168 CO 0.46 -0.01 0.36 0.00 -2.21 0.00 0.00 174.62 173.21 2qtm n LYS 170 N -0.00 0.50 -0.39 0.00 4.81 -1.26 -1.35 118.16 120.48 2qtm n LYS 170 Ca 0.00 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2qtm n LYS 170 Cb 0.07 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.64 2qtm n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qtm n TYR 171 N 0.79 0.00 0.08 5.64 4.02 -1.26 -4.79 117.16 121.64 2qtm n TYR 171 Ca 0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.94 2qtm n TYR 171 Cb 0.22 -1.17 -0.13 0.00 -0.02 0.00 0.00 39.34 38.24 2qtm n TYR 171 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2qtm h LEU 172 N 0.00 0.23 -7.63 7.72 3.38 -1.63 -3.46 115.31 113.92 2qtm h LEU 172 Ca 0.00 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2qtm h LEU 172 Cb 0.00 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.53 2qtm h LEU 172 CO 0.00 1.20 -0.26 -1.48 0.09 0.00 0.00 178.44 177.99 2qtm s LEU 173 N -6.92 1.00 0.66 1.67 2.34 -1.26 -2.12 118.68 114.06 2qtm s LEU 173 Ca -0.02 -0.44 -0.17 0.00 0.06 0.00 0.00 54.13 53.56 2qtm s LEU 173 Cb 0.08 1.34 -0.06 0.00 -0.56 0.00 0.00 46.19 47.00 2qtm s LEU 173 CO 0.85 -0.74 0.53 -2.65 -1.06 0.00 0.00 176.35 173.29 2qtm n PRO 174 N 0.05 0.41 0.29 1.48 -0.02 -1.26 -4.82 135.00 131.12 2qtm n PRO 174 Ca -0.16 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.32 2qtm n PRO 174 Cb 0.62 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 2qtm n PRO 174 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qtm h GLU 175 N -0.10 -0.91 -1.00 -0.52 4.11 -2.00 -2.35 114.58 111.81 2qtm h GLU 175 Ca -0.46 0.06 0.18 0.00 0.07 0.00 0.00 59.36 59.22 2qtm h GLU 175 Cb 1.37 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 2qtm h GLU 175 CO 0.44 -0.60 0.61 0.87 0.07 0.00 0.00 179.01 180.40 2qtm h LYS 176 N -0.94 0.76 -0.49 1.06 1.57 -1.95 0.01 116.57 116.59 2qtm h LYS 176 Ca -0.06 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 2qtm h LYS 176 Cb 0.80 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2qtm h LYS 176 CO -0.03 0.50 -0.10 0.28 -0.57 0.00 0.00 179.45 179.53 2qtm h VAL 177 N 0.78 1.26 -0.53 0.50 2.07 -1.88 -1.84 116.25 116.62 2qtm h VAL 177 Ca 0.57 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2qtm h VAL 177 Cb 0.86 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2qtm h VAL 177 CO -0.37 0.42 -0.13 1.56 0.02 0.00 0.00 177.57 179.06 2qtm h GLN 178 N 0.81 1.03 -0.59 1.57 4.20 -0.50 -1.31 115.11 120.31 2qtm h GLN 178 Ca 0.13 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.49 2qtm h GLN 178 Cb 0.62 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 2qtm h GLN 178 CO 0.04 1.08 0.33 0.28 -0.67 0.00 0.00 178.83 179.89 2qtm h VAL 179 N 0.90 1.00 -0.43 -0.54 2.07 -0.94 0.15 116.25 118.46 2qtm h VAL 179 Ca 0.13 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2qtm h VAL 179 Cb 0.71 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2qtm h VAL 179 CO 0.05 0.12 -0.17 0.22 0.02 0.00 0.00 177.57 177.81 2qtm h TYR 180 N 0.63 0.92 -0.21 1.57 3.20 -1.17 -2.53 116.97 119.38 2qtm h TYR 180 Ca 0.25 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2qtm h TYR 180 Cb 0.11 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2qtm h TYR 180 CO -0.08 0.93 -0.02 0.82 -1.64 0.00 0.00 178.16 178.17 2qtm h ILE 181 N 0.73 1.27 -0.26 1.81 2.04 -0.40 -2.83 117.51 119.86 2qtm h ILE 181 Ca 0.11 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.06 2qtm h ILE 181 Cb 0.68 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2qtm h ILE 181 CO 0.05 0.29 0.09 -0.33 0.00 0.00 0.00 178.15 178.25 2qtm h GLU 182 N 0.13 0.21 0.00 2.37 4.39 -0.72 -1.30 114.58 119.66 2qtm h GLU 182 Ca 0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2qtm h GLU 182 Cb 0.44 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2qtm h GLU 182 CO 0.01 0.14 0.00 0.54 -1.16 0.00 0.00 179.01 178.54 2qtm n ARG 183 N -5.03 0.00 0.00 2.33 1.74 -0.96 -2.80 116.66 111.95 2qtm n ARG 183 Ca -0.01 0.49 0.05 0.00 -0.77 0.00 0.00 57.85 57.60 2qtm n ARG 183 Cb 0.09 -1.43 0.27 0.00 -1.02 0.00 0.00 32.46 30.37 2qtm n ARG 183 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2qtm n ASN 184 N -1.90 0.00 -3.73 0.55 4.13 -1.07 -4.85 115.26 108.38 2qtm n ASN 184 Ca 0.00 -0.35 -0.27 0.00 1.68 0.00 0.00 54.58 55.65 2qtm n ASN 184 Cb 0.00 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 2qtm n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qtm n GLY 185 N -0.35 -0.65 0.33 7.41 0.00 -0.56 -4.89 105.19 106.48 2qtm n GLY 185 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2qtm n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qtm h LEU 186 N -1.83 0.77 -2.15 0.99 3.38 -1.67 -3.26 115.31 111.53 2qtm h LEU 186 Ca -0.64 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2qtm h LEU 186 Cb 1.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2qtm h LEU 186 CO 0.53 0.61 -0.05 -1.22 0.09 0.00 0.00 178.44 178.40 2qtm n TYR 187 N -4.39 0.00 0.00 1.13 4.01 -1.26 -4.91 117.16 111.74 2qtm n TYR 187 Ca 0.06 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2qtm n TYR 187 Cb 0.09 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 2qtm n TYR 187 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2qtm n GLU 188 N -0.37 0.00 0.00 -0.72 4.71 -1.24 -3.76 120.64 119.25 2qtm n GLU 188 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2qtm n GLU 188 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.87 2qtm n GLU 188 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67