#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaj h LEU -6 N 0.00 0.00 -9.30 0.99 3.38 -2.05 -3.46 115.31 104.87 1uaj h LEU -6 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1uaj h LEU -6 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1uaj h LEU -6 CO 0.00 0.55 0.08 -0.69 0.09 0.00 0.00 178.44 178.47 1uaj s VAL -5 N -2.94 5.05 0.47 1.22 1.01 -1.26 -5.05 120.40 118.91 1uaj s VAL -5 Ca -0.03 1.33 -0.23 0.00 0.00 0.00 0.00 61.98 63.06 1uaj s VAL -5 Cb 0.09 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1uaj s VAL -5 CO 0.81 0.22 1.21 -2.16 0.00 0.00 0.00 175.10 175.18 1uaj s PRO -4 N 1.06 3.65 0.66 2.72 0.04 -1.26 -4.99 135.00 136.88 1uaj s PRO -4 Ca 0.34 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1uaj s PRO -4 Cb -0.17 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 1uaj s PRO -4 CO 0.15 -0.67 1.19 1.03 0.04 0.00 0.00 177.00 178.74 1uaj s ARG -3 N -2.71 2.62 0.00 4.56 0.52 -1.26 -3.46 118.95 119.23 1uaj s ARG -3 Ca 0.65 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1uaj s ARG -3 Cb -0.31 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1uaj s ARG -3 CO 0.38 -1.46 0.00 0.41 0.02 0.00 0.00 175.30 174.65 1uaj n GLY -2 N 0.29 0.42 0.30 -3.53 0.00 -1.26 -4.91 105.19 96.50 1uaj n GLY -2 Ca 0.13 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.40 1uaj n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uaj n SER -1 N 1.44 1.52 -4.81 1.61 3.41 -1.22 -5.01 113.62 110.55 1uaj n SER -1 Ca 0.00 -1.26 -0.32 0.00 -0.26 0.00 0.00 58.87 57.03 1uaj n SER -1 Cb 0.00 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1uaj n SER -1 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1uaj s HIS 0 N -0.98 3.06 -0.10 7.33 -3.43 -1.26 -4.42 115.29 115.48 1uaj s HIS 0 Ca 0.09 1.47 -0.01 0.00 -0.80 0.00 0.00 55.06 55.82 1uaj s HIS 0 Cb 0.08 -2.95 -0.03 0.00 -1.43 0.00 0.00 32.58 28.25 1uaj s HIS 0 CO 0.16 -1.13 -0.06 1.41 -2.00 0.00 0.00 174.74 173.13 1uaj s MET 1 N -4.45 3.12 -0.10 -0.38 1.75 -0.67 -4.90 119.30 113.67 1uaj s MET 1 Ca 0.61 -0.54 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 1uaj s MET 1 Cb -0.15 -2.71 -0.02 0.00 2.84 0.00 0.00 34.83 34.79 1uaj s MET 1 CO 0.44 0.49 -0.14 -0.46 -0.65 0.00 0.00 175.02 174.69 1uaj s TRP 2 N -0.33 2.76 -0.15 4.11 -0.00 -0.14 -1.24 118.94 123.95 1uaj s TRP 2 Ca 0.05 -0.52 -0.01 0.00 -0.00 0.00 0.00 56.10 55.62 1uaj s TRP 2 Cb -0.12 -1.77 0.04 0.00 -0.00 0.00 0.00 33.47 31.62 1uaj s TRP 2 CO 0.02 -0.10 -0.04 0.42 -0.00 0.00 0.00 176.95 177.25 1uaj s ILE 3 N 0.02 0.90 0.10 5.86 1.01 0.92 -2.07 121.20 127.94 1uaj s ILE 3 Ca -0.05 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 1uaj s ILE 3 Cb -0.14 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.17 1uaj s ILE 3 CO 0.04 0.14 0.54 -0.83 0.00 0.00 0.00 174.94 174.83 1uaj s GLY 4 N 1.73 2.55 -0.05 6.18 0.00 0.46 -1.37 107.32 116.82 1uaj s GLY 4 Ca 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.68 1uaj s GLY 4 CO -0.07 0.27 -0.11 0.14 0.00 0.00 0.00 173.10 173.33 1uaj s VAL 5 N -1.27 0.98 -0.29 1.40 1.01 0.65 0.12 120.40 122.99 1uaj s VAL 5 Ca 0.32 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1uaj s VAL 5 Cb -0.17 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1uaj s VAL 5 CO 0.18 0.31 0.07 -0.63 0.00 0.00 0.00 175.10 175.03 1uaj s ILE 6 N 0.43 3.89 -0.13 2.22 -1.09 0.31 -0.69 121.20 126.15 1uaj s ILE 6 Ca -0.09 -0.72 -0.26 0.00 -2.23 0.00 0.00 60.65 57.36 1uaj s ILE 6 Cb -0.12 -3.01 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 1uaj s ILE 6 CO 0.02 0.08 0.63 -0.55 -1.23 0.00 0.00 174.94 173.89 1uaj s SER 7 N 1.49 -0.62 0.08 3.58 0.15 -0.69 -1.13 113.70 116.57 1uaj s SER 7 Ca 0.02 0.90 0.23 0.00 0.70 0.00 0.00 55.95 57.81 1uaj s SER 7 Cb -0.17 0.85 0.94 0.00 -1.71 0.00 0.00 66.02 65.92 1uaj s SER 7 CO 0.02 -0.43 1.73 0.18 1.20 0.00 0.00 173.24 175.94 1uaj n LEU 8 N 1.72 0.27 -3.24 3.45 4.77 -1.26 -4.03 117.00 118.69 1uaj n LEU 8 Ca -0.17 0.54 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 1uaj n LEU 8 Cb 0.56 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1uaj n LEU 8 CO 0.16 -0.20 -0.12 0.49 -1.33 0.00 0.00 177.39 176.39 1uaj n PHE 9 N -1.77 1.48 -0.19 -1.77 3.01 -1.26 -4.95 117.46 112.00 1uaj n PHE 9 Ca 0.05 -3.84 0.17 0.00 1.01 0.00 0.00 57.45 54.84 1uaj n PHE 9 Cb 0.29 -0.44 0.51 0.00 -0.01 0.00 0.00 39.48 39.83 1uaj n PHE 9 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1uaj h PRO 10 N 3.80 0.39 0.00 -1.08 0.11 -1.94 -1.64 132.00 131.64 1uaj h PRO 10 Ca 0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1uaj h PRO 10 Cb 0.78 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1uaj h PRO 10 CO 0.63 0.26 -0.01 0.93 -0.21 0.00 0.00 178.00 179.59 1uaj h GLU 11 N 0.40 0.00 -0.07 1.05 5.08 -1.95 -1.84 114.58 117.24 1uaj h GLU 11 Ca 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1uaj h GLU 11 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1uaj h GLU 11 CO -0.13 0.01 -0.06 0.52 -1.00 0.00 0.00 179.01 178.35 1uaj h MET 12 N 0.00 0.11 0.00 2.33 2.86 -1.73 -2.52 114.93 115.97 1uaj h MET 12 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1uaj h MET 12 Cb 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1uaj h MET 12 CO 0.00 0.17 0.00 1.19 1.06 0.00 0.00 176.91 179.33 1uaj n PHE 13 N -4.41 0.00 0.27 -0.22 3.01 -0.69 -2.01 117.46 113.41 1uaj n PHE 13 Ca -0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.58 1uaj n PHE 13 Cb 0.17 -0.35 0.78 0.00 -0.01 0.00 0.00 39.48 40.07 1uaj n PHE 13 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1uaj h LYS 14 N 0.00 0.00 -0.35 -1.08 1.57 -1.64 -1.20 116.57 113.87 1uaj h LYS 14 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1uaj h LYS 14 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1uaj h LYS 14 CO 0.00 0.09 0.25 0.00 -0.57 0.00 0.00 179.45 179.22 1uaj h ALA 15 N 1.91 2.21 0.00 3.86 0.00 -1.62 -0.53 119.26 125.08 1uaj h ALA 15 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1uaj h ALA 15 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1uaj h ALA 15 CO 0.01 -0.30 -1.82 0.44 0.00 0.00 0.00 179.25 177.58 1uaj n ILE 16 N -4.45 0.59 0.60 0.00 -5.35 -0.66 -4.27 119.36 105.82 1uaj n ILE 16 Ca 0.05 -0.48 0.13 0.00 -0.27 0.00 0.00 62.75 62.18 1uaj n ILE 16 Cb 0.36 -0.36 0.29 0.00 -1.74 0.00 0.00 39.64 38.20 1uaj n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1uaj n THR 17 N -2.32 0.48 0.37 7.28 -2.24 -0.55 -2.35 114.28 114.96 1uaj n THR 17 Ca -0.15 -0.28 0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1uaj n THR 17 Cb 0.73 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1uaj n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uaj n GLU 18 N -2.19 1.84 -4.09 -0.78 1.02 -0.23 -4.43 120.64 111.78 1uaj n GLU 18 Ca 0.04 -0.63 -0.13 0.00 -0.02 0.00 0.00 57.16 56.43 1uaj n GLU 18 Cb 0.43 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 1uaj n GLU 18 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uaj s PHE 19 N -1.13 0.73 0.00 -0.32 0.40 -1.26 -4.86 117.98 111.55 1uaj s PHE 19 Ca 0.08 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1uaj s PHE 19 Cb 0.07 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.16 1uaj s PHE 19 CO 0.19 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.43 1uaj n GLY 20 N 1.10 0.13 0.34 4.36 0.00 -1.26 -1.53 105.19 108.33 1uaj n GLY 20 Ca -0.20 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1uaj n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uaj h VAL 21 N 0.00 0.98 -0.43 1.61 -1.51 -1.99 -0.30 116.25 114.62 1uaj h VAL 21 Ca 0.00 -0.18 -0.12 0.00 -1.23 0.00 0.00 66.70 65.17 1uaj h VAL 21 Cb 0.00 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1uaj h VAL 21 CO 0.00 0.09 -0.23 0.71 -1.23 0.00 0.00 177.57 176.92 1uaj h THR 22 N 0.51 1.27 -0.52 7.19 1.35 -1.80 -0.01 112.91 120.90 1uaj h THR 22 Ca 0.24 -1.36 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 1uaj h THR 22 Cb 0.30 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1uaj h THR 22 CO -0.07 0.46 0.05 1.23 -0.25 0.00 0.00 175.52 176.94 1uaj h GLY 23 N 0.93 0.91 1.42 5.82 0.00 -0.06 -1.49 103.07 110.59 1uaj h GLY 23 Ca 0.10 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1uaj h GLY 23 CO 0.06 0.54 -0.30 3.21 0.00 0.00 0.00 176.54 180.06 1uaj h ARG 24 N 0.79 0.66 -0.74 4.80 -0.00 -0.77 -0.77 114.38 118.35 1uaj h ARG 24 Ca 0.16 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.98 59.30 1uaj h ARG 24 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.33 1uaj h ARG 24 CO 0.01 0.88 0.26 0.00 0.00 0.00 0.00 179.97 181.13 1uaj h ALA 25 N 1.10 1.06 -0.37 0.04 0.00 -0.48 0.07 119.26 120.69 1uaj h ALA 25 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1uaj h ALA 25 Cb 0.79 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uaj h ALA 25 CO 0.07 0.65 -0.20 0.28 0.00 0.00 0.00 179.25 180.05 1uaj h VAL 26 N 1.09 1.28 -0.25 0.00 2.07 -1.00 0.21 116.25 119.66 1uaj h VAL 26 Ca 0.25 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1uaj h VAL 26 Cb 0.26 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1uaj h VAL 26 CO -0.01 0.44 -0.11 0.11 0.02 0.00 0.00 177.57 178.02 1uaj h LYS 27 N 0.59 0.40 -0.42 1.57 1.57 -0.77 -2.28 116.57 117.24 1uaj h LYS 27 Ca 0.08 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1uaj h LYS 27 Cb 0.75 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1uaj h LYS 27 CO 0.06 0.52 0.00 0.72 -0.57 0.00 0.00 179.45 180.18 1uaj n HIS 28 N -4.24 0.55 -2.49 -1.35 8.25 -0.02 -4.91 115.22 111.01 1uaj n HIS 28 Ca 0.00 -0.25 -0.20 0.00 -0.26 0.00 0.00 57.72 57.01 1uaj n HIS 28 Cb 0.29 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 1uaj n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uaj n ASN 29 N 0.50 -5.78 -0.04 0.41 3.02 -0.86 -4.86 115.26 107.66 1uaj n ASN 29 Ca 0.12 -0.04 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 1uaj n ASN 29 Cb 0.35 -4.79 -0.14 0.00 -0.61 0.00 0.00 39.78 34.58 1uaj n ASN 29 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1uaj n LEU 30 N -3.13 0.90 -4.15 3.41 4.77 0.70 -4.88 117.00 114.62 1uaj n LEU 30 Ca -0.22 0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 1uaj n LEU 30 Cb 0.67 0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.69 1uaj n LEU 30 CO 0.30 0.49 -0.50 -0.22 -1.33 0.00 0.00 177.39 176.13 1uaj s LEU 31 N -6.04 1.95 -0.10 2.23 2.96 -0.88 -1.67 118.68 117.13 1uaj s LEU 31 Ca -0.09 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1uaj s LEU 31 Cb 0.07 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1uaj s LEU 31 CO 0.81 0.17 -0.14 -0.75 -1.32 0.00 0.00 176.35 175.12 1uaj s LYS 32 N -0.07 2.11 -0.17 1.98 2.36 -0.37 -4.08 119.74 121.49 1uaj s LYS 32 Ca -0.01 -0.52 0.01 0.00 -2.55 0.00 0.00 55.97 52.89 1uaj s LYS 32 Cb -0.10 -1.80 0.02 0.00 -1.05 0.00 0.00 37.83 34.90 1uaj s LYS 32 CO 0.02 -0.06 -0.18 0.08 1.55 0.00 0.00 175.35 176.75 1uaj s VAL 33 N 0.98 1.94 -0.12 4.02 1.01 -1.26 -0.05 120.40 126.92 1uaj s VAL 33 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1uaj s VAL 33 Cb -0.15 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1uaj s VAL 33 CO -0.01 0.50 -0.20 -0.70 0.00 0.00 0.00 175.10 174.69 1uaj s GLU 34 N 1.33 2.74 0.06 2.72 2.12 -0.47 -5.00 118.70 122.20 1uaj s GLU 34 Ca 0.05 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.66 1uaj s GLU 34 Cb -0.13 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 1uaj s GLU 34 CO -0.12 0.03 -0.05 0.00 -0.54 0.00 0.00 175.26 174.58 1uaj s TRP 36 N -1.17 1.10 -0.23 0.00 0.51 0.13 -4.94 118.94 114.34 1uaj s TRP 36 Ca 0.21 -0.31 -0.06 0.00 -2.12 0.00 0.00 56.10 53.82 1uaj s TRP 36 Cb -0.11 -0.80 -0.02 0.00 -0.81 0.00 0.00 33.47 31.72 1uaj s TRP 36 CO 0.13 -0.15 0.03 1.21 -0.51 0.00 0.00 176.95 177.66 1uaj s ASN 37 N 0.37 4.87 0.55 2.95 3.84 -1.26 -1.70 114.94 124.57 1uaj s ASN 37 Ca -0.07 -0.25 0.30 0.00 0.21 0.00 0.00 52.86 53.06 1uaj s ASN 37 Cb -0.11 -1.86 1.47 0.00 -0.55 0.00 0.00 41.25 40.20 1uaj s ASN 37 CO 0.01 -0.01 1.90 -0.65 -2.79 0.00 0.00 177.10 175.56 1uaj h PRO 38 N 8.03 0.00 0.00 0.43 0.11 -1.83 0.11 132.00 138.85 1uaj h PRO 38 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1uaj h PRO 38 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uaj h PRO 38 CO 0.59 0.00 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.29 1uaj h ARG 39 N 0.00 0.00 -0.01 1.05 2.43 -1.90 0.76 114.38 116.72 1uaj h ARG 39 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1uaj h ARG 39 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1uaj h ARG 39 CO -0.00 0.00 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.18 1uaj n ASP 40 N -3.46 0.99 -0.75 -3.80 10.43 0.38 -3.77 116.55 116.58 1uaj n ASP 40 Ca -0.03 -1.25 0.04 0.00 2.57 0.00 0.00 54.79 56.12 1uaj n ASP 40 Cb 0.08 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.25 1uaj n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1uaj n PHE 41 N -0.28 0.63 -3.50 1.24 3.01 0.26 -5.02 117.46 113.80 1uaj n PHE 41 Ca 0.19 -1.24 -0.19 0.00 1.01 0.00 0.00 57.45 57.22 1uaj n PHE 41 Cb 0.28 -0.33 -0.01 0.00 -0.01 0.00 0.00 39.48 39.42 1uaj n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uaj s THR 42 N -3.04 4.15 0.00 4.37 -4.23 -1.24 -4.39 115.64 111.25 1uaj s THR 42 Ca 0.40 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1uaj s THR 42 Cb 0.35 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1uaj s THR 42 CO 0.02 -0.17 0.35 0.49 -0.54 0.00 0.00 174.62 174.77 1uaj n PHE 43 N -1.63 0.00 -3.35 3.99 3.01 -1.26 -5.01 117.46 113.21 1uaj n PHE 43 Ca -0.01 -0.02 -0.25 0.00 1.01 0.00 0.00 57.45 58.18 1uaj n PHE 43 Cb 0.58 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.03 1uaj n PHE 43 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1uaj s ASP 44 N -0.05 6.31 0.47 4.37 -4.77 -1.26 -4.99 116.67 116.75 1uaj s ASP 44 Ca 0.00 0.49 0.17 0.00 -3.30 0.00 0.00 52.55 49.92 1uaj s ASP 44 Cb 0.00 -2.05 1.16 0.00 -1.09 0.00 0.00 42.92 40.94 1uaj s ASP 44 CO 0.00 -0.29 2.00 0.50 0.70 0.00 0.00 175.17 178.09 1uaj h LYS 45 N 0.87 0.24 -0.43 2.11 3.64 -2.02 -2.23 116.57 118.74 1uaj h LYS 45 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1uaj h LYS 45 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1uaj h LYS 45 CO 0.62 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.68 1uaj n HIS 46 N -4.45 0.57 -3.93 1.91 8.25 -1.26 -4.96 115.22 111.34 1uaj n HIS 46 Ca 0.08 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 56.93 1uaj n HIS 46 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1uaj n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uaj n LYS 47 N 0.96 -1.68 -2.26 -0.41 5.02 -0.84 -4.86 118.16 114.09 1uaj n LYS 47 Ca 0.17 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.36 1uaj n LYS 47 Cb 0.44 -3.85 -0.03 0.00 -0.02 0.00 0.00 35.03 31.57 1uaj n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1uaj s THR 48 N -3.75 3.72 -0.04 -0.18 2.01 -1.26 -4.92 115.64 111.21 1uaj s THR 48 Ca 0.26 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1uaj s THR 48 Cb -0.11 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1uaj s THR 48 CO 0.91 0.03 0.65 1.33 -0.69 0.00 0.00 174.62 176.85 1uaj n VAL 49 N 4.39 0.29 -4.50 3.82 0.24 -1.26 -4.91 118.33 116.40 1uaj n VAL 49 Ca 0.12 -0.64 -0.25 0.00 -2.04 0.00 0.00 64.34 61.52 1uaj n VAL 49 Cb 0.44 0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 33.57 1uaj n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1uaj s ASP 50 N -0.30 3.78 0.12 -1.34 -4.77 -1.26 -0.34 116.67 112.55 1uaj s ASP 50 Ca 0.00 -1.13 -0.17 0.00 -3.30 0.00 0.00 52.55 47.95 1uaj s ASP 50 Cb 0.00 -0.37 0.04 0.00 -1.09 0.00 0.00 42.92 41.50 1uaj s ASP 50 CO 0.00 -0.16 0.42 -0.62 0.70 0.00 0.00 175.17 175.52 1uaj s ASP 51 N -3.61 -0.27 0.27 2.11 -1.08 0.16 -4.47 116.67 109.78 1uaj s ASP 51 Ca 0.32 -0.25 -0.29 0.00 -0.52 0.00 0.00 52.55 51.81 1uaj s ASP 51 Cb 0.01 0.48 -0.09 0.00 -1.46 0.00 0.00 42.92 41.86 1uaj s ASP 51 CO 0.17 -0.85 1.00 -0.13 0.52 0.00 0.00 175.17 175.88 1uaj s ARG 52 N -3.68 4.71 0.27 4.34 3.00 -1.26 -1.53 118.95 124.80 1uaj s ARG 52 Ca 0.02 1.59 -0.29 0.00 0.00 0.00 0.00 55.73 57.05 1uaj s ARG 52 Cb 0.01 -3.15 -0.09 0.00 0.00 0.00 0.00 34.95 31.72 1uaj s ARG 52 CO -0.11 0.34 0.99 -1.25 0.00 0.00 0.00 175.30 175.27 1uaj s PRO 53 N -1.45 4.71 0.40 3.54 0.04 -1.26 -4.91 135.00 136.08 1uaj s PRO 53 Ca 0.44 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1uaj s PRO 53 Cb -0.27 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1uaj s PRO 53 CO 0.34 0.36 1.28 0.71 0.04 0.00 0.00 177.00 179.72 1uaj s TYR 54 N -1.26 2.87 0.00 0.56 2.02 -1.26 -2.19 117.35 118.09 1uaj s TYR 54 Ca 0.44 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 1uaj s TYR 54 Cb -0.26 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 1uaj s TYR 54 CO 0.33 -1.93 0.00 0.41 -1.57 0.00 0.00 175.55 172.79 1uaj n GLY 55 N 0.67 0.50 0.75 0.71 0.00 -1.26 -4.96 105.19 101.60 1uaj n GLY 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1uaj n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uaj n GLY 56 N -2.00 -2.62 0.00 -0.02 0.00 -0.93 -5.12 105.19 94.50 1uaj n GLY 56 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1uaj n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uaj n GLY 57 N -0.69 3.02 0.00 -0.02 0.00 -1.26 -4.79 105.19 101.46 1uaj n GLY 57 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.34 1uaj n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uaj n PRO 58 N -0.15 0.22 -2.41 1.61 -0.04 -1.26 -4.74 135.00 128.23 1uaj n PRO 58 Ca 0.00 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 1uaj n PRO 58 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1uaj n PRO 58 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1uaj s GLY 59 N -2.76 0.72 0.78 0.55 0.00 -1.26 -5.00 107.32 100.36 1uaj s GLY 59 Ca 0.20 -1.26 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1uaj s GLY 59 CO 0.44 2.87 1.11 1.06 0.00 0.00 0.00 173.10 178.58 1uaj s MET 60 N 6.05 2.09 0.17 2.90 -1.94 -1.26 -4.38 119.30 122.91 1uaj s MET 60 Ca 0.45 1.28 0.04 0.00 -1.71 0.00 0.00 55.69 55.75 1uaj s MET 60 Cb -0.09 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.84 1uaj s MET 60 CO 0.14 -1.79 -0.07 -0.51 -0.01 0.00 0.00 175.02 172.78 1uaj s LEU 61 N -5.91 2.43 0.28 -0.03 1.43 -0.58 -0.40 118.68 115.90 1uaj s LEU 61 Ca 0.63 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 1uaj s LEU 61 Cb -0.19 -0.31 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 1uaj s LEU 61 CO 0.54 -0.38 1.27 -0.04 0.23 0.00 0.00 176.35 177.97 1uaj s MET 62 N -3.78 4.42 0.16 1.70 -1.94 -0.44 -0.66 119.30 118.76 1uaj s MET 62 Ca 0.20 2.09 -0.31 0.00 -1.71 0.00 0.00 55.69 55.95 1uaj s MET 62 Cb 0.03 -3.13 -0.10 0.00 2.01 0.00 0.00 34.83 33.65 1uaj s MET 62 CO 0.02 -0.14 1.51 1.41 -0.01 0.00 0.00 175.02 177.82 1uaj s MET 63 N -1.17 4.25 0.10 2.03 1.75 0.54 -4.63 119.30 122.15 1uaj s MET 63 Ca 0.51 2.29 -0.27 0.00 -1.25 0.00 0.00 55.69 56.96 1uaj s MET 63 Cb -0.37 -3.17 -0.13 0.00 2.84 0.00 0.00 34.83 34.00 1uaj s MET 63 CO 0.46 -0.55 1.66 0.28 -0.65 0.00 0.00 175.02 176.22 1uaj h VAL 64 N 4.03 0.55 -0.08 10.11 2.07 -1.92 -3.10 116.25 127.91 1uaj h VAL 64 Ca -0.43 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1uaj h VAL 64 Cb 1.21 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1uaj h VAL 64 CO 0.89 0.00 -0.21 -0.61 0.02 0.00 0.00 177.57 177.66 1uaj h GLN 65 N -0.47 -0.28 -0.56 1.57 -0.00 -1.97 0.15 115.11 113.54 1uaj h GLN 65 Ca -0.01 0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 1uaj h GLN 65 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.95 1uaj h GLN 65 CO -0.03 -0.19 0.11 -1.35 0.00 0.00 0.00 178.83 177.37 1uaj h PRO 66 N -0.29 0.88 -0.06 -2.39 0.11 -1.77 -0.98 132.00 127.50 1uaj h PRO 66 Ca 0.08 -0.20 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1uaj h PRO 66 Cb 0.41 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1uaj h PRO 66 CO -0.25 0.81 -0.04 1.25 -0.21 0.00 0.00 178.00 179.56 1uaj h LEU 67 N 0.84 0.14 -0.50 2.35 5.85 -1.42 -1.90 115.31 120.67 1uaj h LEU 67 Ca 0.18 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1uaj h LEU 67 Cb 0.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1uaj h LEU 67 CO 0.00 0.55 0.32 -0.09 -0.34 0.00 0.00 178.44 178.88 1uaj h ARG 68 N -0.28 0.67 -0.44 1.25 2.43 -0.65 -1.63 114.38 115.72 1uaj h ARG 68 Ca 0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1uaj h ARG 68 Cb 0.50 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1uaj h ARG 68 CO 0.01 0.46 0.07 -0.44 -1.51 0.00 0.00 179.97 178.56 1uaj h ASP 69 N 0.67 0.64 -0.44 -3.80 3.32 -1.19 -0.14 116.42 115.47 1uaj h ASP 69 Ca 0.18 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1uaj h ASP 69 Cb -0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1uaj h ASP 69 CO -0.04 0.66 0.15 0.00 -1.72 0.00 0.00 179.24 178.30 1uaj h ALA 70 N 1.42 0.58 -0.46 3.45 0.00 -0.93 -1.81 119.26 121.51 1uaj h ALA 70 Ca 0.14 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uaj h ALA 70 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1uaj h ALA 70 CO 0.00 0.22 0.30 0.82 0.00 0.00 0.00 179.25 180.59 1uaj h ILE 71 N 0.58 1.10 -0.89 0.00 2.04 -0.66 -1.94 117.51 117.74 1uaj h ILE 71 Ca 0.14 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1uaj h ILE 71 Cb 0.25 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1uaj h ILE 71 CO -0.01 0.11 0.58 0.45 0.00 0.00 0.00 178.15 179.29 1uaj h HIS 72 N 0.61 1.05 -0.28 1.37 3.86 -0.72 0.54 115.15 121.58 1uaj h HIS 72 Ca 0.17 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.26 1uaj h HIS 72 Cb -0.05 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.06 1uaj h HIS 72 CO -0.05 0.59 -0.42 1.15 0.86 0.00 0.00 177.93 180.05 1uaj h THR 73 N 1.07 1.29 -0.54 2.45 2.02 -0.96 -0.95 112.91 117.29 1uaj h THR 73 Ca 0.37 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.83 1uaj h THR 73 Cb 0.10 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1uaj h THR 73 CO -0.12 0.52 -0.09 0.00 0.37 0.00 0.00 175.52 176.20 1uaj h ALA 74 N 0.96 0.73 -0.35 6.16 0.00 -0.58 -1.89 119.26 124.30 1uaj h ALA 74 Ca 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1uaj h ALA 74 Cb 0.97 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1uaj h ALA 74 CO 0.09 0.63 -0.06 0.87 0.00 0.00 0.00 179.25 180.78 1uaj h LYS 75 N 0.88 0.56 -0.48 0.00 1.57 -0.77 0.68 116.57 119.01 1uaj h LYS 75 Ca 0.14 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1uaj h LYS 75 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1uaj h LYS 75 CO 0.04 0.63 0.12 0.00 -0.57 0.00 0.00 179.45 179.68 1uaj h ALA 76 N 1.41 0.64 -0.36 3.86 0.00 -0.82 0.47 119.26 124.47 1uaj h ALA 76 Ca 0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1uaj h ALA 76 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1uaj h ALA 76 CO 0.02 0.32 -0.36 0.00 0.00 0.00 0.00 179.25 179.23 1uaj h ALA 77 N 0.99 0.52 0.00 0.00 0.00 -0.94 -3.18 119.26 116.65 1uaj h ALA 77 Ca 0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1uaj h ALA 77 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1uaj h ALA 77 CO 0.00 0.61 -0.57 0.00 0.00 0.00 0.00 179.25 179.29 1uaj h ALA 78 N 0.75 1.03 -0.56 0.00 0.00 -0.76 -3.48 119.26 116.23 1uaj h ALA 78 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uaj h ALA 78 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1uaj h ALA 78 CO 0.09 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1uaj n GLY 79 N 0.16 1.96 3.80 0.00 0.00 0.15 -4.81 105.19 106.45 1uaj n GLY 79 Ca -0.01 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1uaj n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uaj s GLU 80 N 0.00 3.39 -1.17 1.61 0.41 -1.26 -4.33 118.70 117.34 1uaj s GLU 80 Ca 0.00 1.29 -0.12 0.00 -0.41 0.00 0.00 54.97 55.73 1uaj s GLU 80 Cb 0.00 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 1uaj s GLU 80 CO 0.00 -0.77 0.78 0.41 -0.49 0.00 0.00 175.26 175.19 1uaj n GLY 81 N -0.67 -0.82 2.92 -1.39 0.00 -1.26 -5.00 105.19 98.96 1uaj n GLY 81 Ca 0.09 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1uaj n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uaj s ALA 82 N -3.53 1.93 0.00 4.61 0.00 -1.26 -4.44 121.76 119.08 1uaj s ALA 82 Ca 0.33 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1uaj s ALA 82 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1uaj s ALA 82 CO 0.83 -1.26 1.03 0.21 0.00 0.00 0.00 175.76 176.57 1uaj s LYS 83 N 1.41 4.52 -0.25 0.00 2.20 -1.22 -4.85 119.74 121.55 1uaj s LYS 83 Ca -0.03 1.50 -0.13 0.00 -0.36 0.00 0.00 55.97 56.95 1uaj s LYS 83 Cb -0.19 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1uaj s LYS 83 CO -0.08 -0.12 0.26 0.08 -0.36 0.00 0.00 175.35 175.13 1uaj s VAL 84 N 1.11 5.27 -0.10 4.02 1.01 -1.26 -1.01 120.40 129.45 1uaj s VAL 84 Ca 0.53 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1uaj s VAL 84 Cb -0.23 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1uaj s VAL 84 CO 0.27 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1uaj s ILE 85 N 1.56 3.23 -0.17 2.22 -1.09 0.91 -0.77 121.20 127.09 1uaj s ILE 85 Ca 0.11 -0.62 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1uaj s ILE 85 Cb -0.15 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.38 1uaj s ILE 85 CO 0.08 0.55 -0.06 -0.47 -1.23 0.00 0.00 174.94 173.81 1uaj s TYR 86 N -0.14 2.95 -0.24 3.97 6.04 -0.56 -0.16 117.35 129.21 1uaj s TYR 86 Ca -0.00 -0.58 -0.19 0.00 0.04 0.00 0.00 57.07 56.34 1uaj s TYR 86 Cb -0.13 -1.98 -0.03 0.00 -1.04 0.00 0.00 41.96 38.78 1uaj s TYR 86 CO 0.03 -0.24 0.54 -0.51 -1.54 0.00 0.00 175.55 173.83 1uaj s LEU 87 N 0.71 4.09 0.04 6.97 2.01 -1.18 -1.32 118.68 130.00 1uaj s LEU 87 Ca -0.03 0.62 -0.27 0.00 0.01 0.00 0.00 54.13 54.46 1uaj s LEU 87 Cb -0.15 -2.72 0.08 0.00 0.01 0.00 0.00 46.19 43.42 1uaj s LEU 87 CO 0.02 -0.26 0.71 -0.94 1.01 0.00 0.00 176.35 176.89 1uaj s SER 88 N 1.38 -0.55 0.00 2.29 1.04 -0.21 -4.66 113.70 112.99 1uaj s SER 88 Ca 0.23 0.26 0.10 0.00 0.48 0.00 0.00 55.95 57.02 1uaj s SER 88 Cb -0.16 0.52 0.43 0.00 0.10 0.00 0.00 66.02 66.91 1uaj s SER 88 CO 0.09 -0.74 1.30 -0.81 0.98 0.00 0.00 173.24 174.06 1uaj n PRO 89 N 0.15 0.02 -0.08 4.02 -0.04 -1.26 -1.62 135.00 136.19 1uaj n PRO 89 Ca -0.16 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1uaj n PRO 89 Cb 0.61 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.83 1uaj n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uaj n GLN 90 N -1.47 2.18 -2.27 0.54 0.00 -1.26 -4.90 117.38 110.20 1uaj n GLN 90 Ca 0.03 -1.75 -0.27 0.00 0.00 0.00 0.00 57.00 55.01 1uaj n GLN 90 Cb 0.11 -1.47 0.17 0.00 0.00 0.00 0.00 30.24 29.05 1uaj n GLN 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1uaj s GLY 91 N -1.75 1.79 0.28 2.61 0.00 -0.64 -4.97 107.32 104.64 1uaj s GLY 91 Ca 0.34 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1uaj s GLY 91 CO 0.30 -0.86 1.46 -1.60 0.00 0.00 0.00 173.10 172.40 1uaj s ARG 92 N -5.59 4.23 0.04 2.90 3.52 -0.12 -4.08 118.95 119.85 1uaj s ARG 92 Ca 0.73 2.37 -0.30 0.00 -0.13 0.00 0.00 55.73 58.39 1uaj s ARG 92 Cb -0.03 -3.08 -0.08 0.00 -1.56 0.00 0.00 34.95 30.21 1uaj s ARG 92 CO 0.50 -0.45 1.64 0.21 -0.81 0.00 0.00 175.30 176.39 1uaj s LYS 93 N -0.71 4.20 0.15 5.12 2.47 -1.26 -0.46 119.74 129.26 1uaj s LYS 93 Ca 0.58 2.28 -0.30 0.00 -1.56 0.00 0.00 55.97 56.97 1uaj s LYS 93 Cb -0.43 -3.67 -0.07 0.00 -1.46 0.00 0.00 37.83 32.19 1uaj s LYS 93 CO 0.47 -0.74 1.05 -1.17 0.16 0.00 0.00 175.35 175.12 1uaj s LEU 94 N 2.89 4.49 0.27 5.43 2.96 0.83 -4.89 118.68 130.67 1uaj s LEU 94 Ca 0.73 1.98 -0.07 0.00 -0.22 0.00 0.00 54.13 56.56 1uaj s LEU 94 Cb -0.38 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.70 1uaj s LEU 94 CO 0.31 -0.16 0.41 1.51 -1.32 0.00 0.00 176.35 177.10 1uaj s ASP 95 N -0.07 0.34 0.48 3.68 3.84 -1.26 -4.91 116.67 118.77 1uaj s ASP 95 Ca 0.49 -1.23 0.21 0.00 -0.00 0.00 0.00 52.55 52.01 1uaj s ASP 95 Cb -0.27 0.57 1.24 0.00 -1.38 0.00 0.00 42.92 43.08 1uaj s ASP 95 CO 0.33 -1.14 1.97 -0.61 -0.00 0.00 0.00 175.17 175.72 1uaj h GLN 96 N 2.27 0.18 -0.55 2.11 5.75 -1.99 0.15 115.11 123.03 1uaj h GLN 96 Ca -0.29 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.09 1uaj h GLN 96 Cb 1.25 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 1uaj h GLN 96 CO 0.40 0.12 -0.11 0.78 -2.65 0.00 0.00 178.83 177.37 1uaj h GLY 97 N 0.19 1.13 1.31 2.39 0.00 -1.98 -1.28 103.07 104.82 1uaj h GLY 97 Ca 0.29 -0.92 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 1uaj h GLY 97 CO -0.05 0.84 -0.25 -1.33 0.00 0.00 0.00 176.54 175.74 1uaj h GLY 98 N 0.93 0.86 1.01 4.60 0.00 -1.15 -2.57 103.07 106.74 1uaj h GLY 98 Ca 0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1uaj h GLY 98 CO 0.05 0.69 0.31 -2.08 0.00 0.00 0.00 176.54 175.51 1uaj h VAL 99 N 0.68 1.23 -0.52 4.60 2.07 -0.82 -1.31 116.25 122.18 1uaj h VAL 99 Ca 0.09 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1uaj h VAL 99 Cb 0.78 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1uaj h VAL 99 CO 0.06 0.28 0.34 0.74 0.02 0.00 0.00 177.57 179.01 1uaj h THR 100 N 0.95 1.11 -0.05 2.57 2.02 -1.01 -0.81 112.91 117.70 1uaj h THR 100 Ca 0.23 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1uaj h THR 100 Cb 0.14 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1uaj h THR 100 CO -0.03 0.12 -0.66 1.05 0.37 0.00 0.00 175.52 176.38 1uaj h GLU 101 N 0.68 0.22 -0.12 6.66 4.11 -1.22 -2.97 114.58 121.93 1uaj h GLU 101 Ca 0.19 -0.17 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 1uaj h GLU 101 Cb -0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1uaj h GLU 101 CO -0.05 0.80 -0.40 -0.07 0.07 0.00 0.00 179.01 179.36 1uaj h LEU 102 N 0.16 0.28 -0.93 3.06 3.38 -0.93 -2.53 115.31 117.80 1uaj h LEU 102 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1uaj h LEU 102 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1uaj h LEU 102 CO 0.10 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.28 1uaj h ALA 103 N 1.36 1.00 0.00 1.53 0.00 -0.99 -2.15 119.26 120.01 1uaj h ALA 103 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uaj h ALA 103 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1uaj h ALA 103 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.35 1uaj n GLN 104 N -2.30 0.10 -3.18 0.00 6.02 -0.95 -4.70 117.38 112.37 1uaj n GLN 104 Ca 0.01 0.31 -0.39 0.00 -0.01 0.00 0.00 57.00 56.93 1uaj n GLN 104 Cb 0.19 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1uaj n GLN 104 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1uaj s ASN 105 N -3.65 6.89 0.28 1.08 0.01 -0.81 -4.95 114.94 113.78 1uaj s ASN 105 Ca 0.06 1.07 0.18 0.00 -0.71 0.00 0.00 52.86 53.46 1uaj s ASN 105 Cb 0.10 -2.36 0.09 0.00 0.41 0.00 0.00 41.25 39.49 1uaj s ASN 105 CO 0.35 -0.01 1.35 1.56 -1.51 0.00 0.00 177.10 178.84 1uaj h GLN 106 N 6.41 0.00 -4.33 -0.60 1.08 -1.89 -3.45 115.11 112.33 1uaj h GLN 106 Ca -0.42 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.39 1uaj h GLN 106 Cb 1.19 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.31 1uaj h GLN 106 CO 0.74 0.30 -0.77 0.15 -0.95 0.00 0.00 178.83 178.30 1uaj s LYS 107 N -3.05 0.72 0.02 1.46 1.02 -1.26 -0.97 119.74 117.68 1uaj s LYS 107 Ca 0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1uaj s LYS 107 Cb 0.07 -0.71 -0.02 0.00 -0.52 0.00 0.00 37.83 36.66 1uaj s LYS 107 CO 0.74 0.06 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.71 1uaj s LEU 108 N 0.30 2.15 -0.15 3.17 1.43 -0.88 -3.39 118.68 121.32 1uaj s LEU 108 Ca -0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1uaj s LEU 108 Cb -0.08 0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.35 1uaj s LEU 108 CO 0.00 -0.32 -0.11 -0.63 0.23 0.00 0.00 176.35 175.52 1uaj s ILE 109 N -1.54 1.39 -0.23 -0.59 1.01 -0.18 -0.40 121.20 120.67 1uaj s ILE 109 Ca -0.15 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1uaj s ILE 109 Cb -0.09 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1uaj s ILE 109 CO -0.01 0.36 0.11 -0.76 0.00 0.00 0.00 174.94 174.64 1uaj s LEU 110 N 1.55 3.77 -0.32 2.97 1.43 0.12 -0.06 118.68 128.14 1uaj s LEU 110 Ca 0.04 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1uaj s LEU 110 Cb -0.13 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1uaj s LEU 110 CO -0.09 0.04 0.21 -0.69 0.23 0.00 0.00 176.35 176.05 1uaj s VAL 111 N 1.18 5.19 -0.31 -1.59 1.01 0.78 -0.53 120.40 126.13 1uaj s VAL 111 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1uaj s VAL 111 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1uaj s VAL 111 CO 0.04 0.08 0.20 0.00 0.00 0.00 0.00 175.10 175.42 1uaj s GLY 113 N 1.70 1.67 0.34 0.00 0.00 -1.26 -4.65 107.32 105.11 1uaj s GLY 113 Ca 0.06 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1uaj s GLY 113 CO 0.09 -0.54 0.13 0.54 0.00 0.00 0.00 173.10 173.32 1uaj n ARG 114 N -1.34 0.63 0.00 2.90 5.12 -1.26 -0.76 116.66 121.95 1uaj n ARG 114 Ca -0.02 -2.86 0.00 0.00 -1.93 0.00 0.00 57.85 53.04 1uaj n ARG 114 Cb 0.55 1.58 0.00 0.00 -1.16 0.00 0.00 32.46 33.43 1uaj n ARG 114 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1uaj n TYR 115 N -0.75 0.00 1.51 -1.55 4.02 -1.26 -2.12 117.16 117.01 1uaj n TYR 115 Ca -0.04 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.99 1uaj n TYR 115 Cb 0.51 0.06 0.64 0.00 -0.02 0.00 0.00 39.34 40.53 1uaj n TYR 115 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1uaj n GLU 116 N 7.36 0.91 0.00 -0.72 -0.58 0.46 -4.93 120.64 123.14 1uaj n GLU 116 Ca 0.00 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 1uaj n GLU 116 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1uaj n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uaj n GLY 117 N 1.22 0.64 3.40 0.62 0.00 -0.90 -5.02 105.19 105.16 1uaj n GLY 117 Ca 0.17 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 1uaj n GLY 117 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uaj s ILE 118 N -2.00 1.75 0.20 -0.61 -4.36 -1.26 -1.32 121.20 113.59 1uaj s ILE 118 Ca 0.00 -2.18 -0.33 0.00 -0.26 0.00 0.00 60.65 57.88 1uaj s ILE 118 Cb 0.00 -2.29 -0.13 0.00 1.25 0.00 0.00 42.46 41.29 1uaj s ILE 118 CO 0.00 -0.42 1.61 -0.67 0.24 0.00 0.00 174.94 175.70 1uaj n ASP 119 N -0.51 3.41 -0.33 4.36 2.03 -1.26 -4.88 116.55 119.37 1uaj n ASP 119 Ca -0.06 1.09 0.12 0.00 0.52 0.00 0.00 54.79 56.46 1uaj n ASP 119 Cb 0.62 -1.49 0.34 0.00 -0.72 0.00 0.00 41.12 39.87 1uaj n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1uaj h GLU 120 N 5.89 0.74 0.00 -0.67 4.57 -2.01 -0.78 114.58 122.31 1uaj h GLU 120 Ca -0.45 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 1uaj h GLU 120 Cb 1.24 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1uaj h GLU 120 CO 0.89 0.49 -0.22 0.00 -1.18 0.00 0.00 179.01 178.99 1uaj h ARG 121 N 0.76 0.00 -0.04 1.92 3.08 -2.00 -2.06 114.38 116.03 1uaj h ARG 121 Ca 0.53 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.50 1uaj h ARG 121 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1uaj h ARG 121 CO -0.30 0.22 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.41 1uaj h LEU 122 N 0.00 0.08 -1.13 3.04 3.38 -1.50 0.43 115.31 119.61 1uaj h LEU 122 Ca -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1uaj h LEU 122 Cb 0.41 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1uaj h LEU 122 CO 0.03 0.42 0.08 0.40 0.09 0.00 0.00 178.44 179.46 1uaj h ILE 123 N 0.07 1.21 0.03 1.22 2.04 -1.35 0.20 117.51 120.93 1uaj h ILE 123 Ca 0.01 -0.79 -0.23 0.00 1.00 0.00 0.00 64.86 64.86 1uaj h ILE 123 Cb 0.64 0.78 0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1uaj h ILE 123 CO 0.05 0.28 -0.90 1.56 0.00 0.00 0.00 178.15 179.14 1uaj h GLN 124 N 0.67 0.55 0.00 2.37 4.20 -1.22 -3.08 115.11 118.60 1uaj h GLN 124 Ca 0.15 -0.64 -0.23 0.00 0.06 0.00 0.00 58.65 57.98 1uaj h GLN 124 Cb 0.30 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1uaj h GLN 124 CO 0.00 1.25 -1.33 1.79 -0.67 0.00 0.00 178.83 179.87 1uaj h THR 125 N 0.13 1.11 0.00 -0.54 1.35 -0.79 -3.42 112.91 110.74 1uaj h THR 125 Ca -0.12 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1uaj h THR 125 Cb 1.59 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 1uaj h THR 125 CO 0.18 0.63 -0.94 -0.62 -0.25 0.00 0.00 175.52 174.51 1uaj n GLU 126 N -3.15 1.82 -3.28 4.72 -0.58 0.67 -5.04 120.64 115.81 1uaj n GLU 126 Ca -0.09 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 1uaj n GLU 126 Cb 0.96 -0.97 -0.06 0.00 -0.57 0.00 0.00 31.44 30.80 1uaj n GLU 126 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1uaj s ILE 127 N -1.91 5.02 -0.18 -3.67 -1.09 -1.06 -4.74 121.20 113.57 1uaj s ILE 127 Ca 0.00 1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 59.40 1uaj s ILE 127 Cb 0.00 -3.87 -0.21 0.00 -1.58 0.00 0.00 42.46 36.80 1uaj s ILE 127 CO 0.00 0.40 0.18 0.47 -1.23 0.00 0.00 174.94 174.77 1uaj n ASP 128 N 2.94 2.01 -3.90 3.58 8.00 0.05 -4.71 116.55 124.51 1uaj n ASP 128 Ca -0.08 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1uaj n ASP 128 Cb 0.51 -0.85 -0.12 0.00 -0.02 0.00 0.00 41.12 40.64 1uaj n ASP 128 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1uaj s GLU 129 N -2.48 0.22 -0.12 -1.24 2.02 -1.02 -5.03 118.70 111.05 1uaj s GLU 129 Ca -0.27 -0.26 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1uaj s GLU 129 Cb 0.07 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 1uaj s GLU 129 CO 0.66 -0.04 -0.11 -2.00 0.02 0.00 0.00 175.26 173.80 1uaj s GLU 130 N -0.74 3.30 0.03 1.61 2.12 -1.26 -1.49 118.70 122.26 1uaj s GLU 130 Ca -0.08 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.65 1uaj s GLU 130 Cb -0.05 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 1uaj s GLU 130 CO -0.00 0.30 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.32 1uaj s TRP 131 N 0.13 1.05 -0.09 5.30 0.52 -0.44 -0.94 118.94 124.48 1uaj s TRP 131 Ca -0.05 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.79 1uaj s TRP 131 Cb -0.15 -0.63 -0.00 0.00 -1.15 0.00 0.00 33.47 31.54 1uaj s TRP 131 CO 0.04 0.01 -0.24 0.45 0.02 0.00 0.00 176.95 177.23 1uaj s SER 132 N -0.95 3.03 0.01 2.95 0.15 0.40 -1.04 113.70 118.24 1uaj s SER 132 Ca 0.01 -0.54 0.27 0.00 0.70 0.00 0.00 55.95 56.39 1uaj s SER 132 Cb -0.07 -1.25 0.92 0.00 -1.71 0.00 0.00 66.02 63.91 1uaj s SER 132 CO 0.01 0.18 1.71 2.30 1.20 0.00 0.00 173.24 178.63 1uaj n ILE 133 N 3.39 0.03 0.00 6.45 -5.35 -1.26 -0.12 119.36 122.50 1uaj n ILE 133 Ca -0.19 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1uaj n ILE 133 Cb 0.53 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 1uaj n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uaj n GLY 134 N 1.49 1.32 2.66 3.28 0.00 -1.26 -4.77 105.19 107.91 1uaj n GLY 134 Ca 0.06 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1uaj n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uaj n ASP 135 N 0.00 6.52 -3.81 1.61 8.00 -1.26 -4.77 116.55 122.84 1uaj n ASP 135 Ca 0.00 -3.09 -0.11 0.00 0.71 0.00 0.00 54.79 52.30 1uaj n ASP 135 Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 41.12 39.58 1uaj n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1uaj s TYR 136 N -0.11 -0.04 -0.14 1.24 -0.85 -1.26 -5.15 117.35 111.04 1uaj s TYR 136 Ca 0.48 -0.08 -0.16 0.00 -0.52 0.00 0.00 57.07 56.78 1uaj s TYR 136 Cb 0.14 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1uaj s TYR 136 CO -0.04 -0.42 0.39 0.08 -1.52 0.00 0.00 175.55 174.04 1uaj s VAL 137 N -2.13 5.24 0.38 -3.49 1.01 -1.26 -4.87 120.40 115.28 1uaj s VAL 137 Ca -0.08 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1uaj s VAL 137 Cb -0.03 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1uaj s VAL 137 CO -0.01 0.35 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 1uaj s LEU 138 N 0.60 2.94 0.00 3.92 1.43 -1.26 -5.05 118.68 121.26 1uaj s LEU 138 Ca 0.21 -1.18 0.28 0.00 -1.03 0.00 0.00 54.13 52.41 1uaj s LEU 138 Cb -0.14 -1.16 0.97 0.00 0.03 0.00 0.00 46.19 45.88 1uaj s LEU 138 CO 0.07 -0.38 1.74 0.35 0.23 0.00 0.00 176.35 178.35 1uaj n THR 139 N -1.01 0.00 -3.66 5.49 -2.24 -1.26 -4.96 114.28 106.65 1uaj n THR 139 Ca -0.04 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1uaj n THR 139 Cb 0.65 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1uaj n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uaj s GLY 140 N -2.97 -0.34 0.00 3.38 0.00 -1.26 -4.43 107.32 101.69 1uaj s GLY 140 Ca 0.14 0.59 0.29 0.00 0.00 0.00 0.00 44.72 45.73 1uaj s GLY 140 CO 0.59 0.13 1.87 0.61 0.00 0.00 0.00 173.10 176.30 1uaj n GLY 141 N -0.43 -0.41 0.17 0.20 0.00 0.06 -4.30 105.19 100.48 1uaj n GLY 141 Ca -0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1uaj n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uaj h GLU 142 N 1.46 0.52 -0.50 1.61 3.07 -1.90 -0.73 114.58 118.11 1uaj h GLU 142 Ca 0.00 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.71 1uaj h GLU 142 Cb 0.36 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1uaj h GLU 142 CO 0.00 0.51 0.10 -0.07 -1.40 0.00 0.00 179.01 178.15 1uaj h LEU 143 N 0.41 0.78 -0.97 1.33 3.38 -2.00 -0.57 115.31 117.67 1uaj h LEU 143 Ca 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1uaj h LEU 143 Cb 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1uaj h LEU 143 CO -0.01 0.83 0.51 -0.65 0.09 0.00 0.00 178.44 179.21 1uaj h PRO 144 N 0.69 1.22 -0.46 1.13 0.11 -1.77 0.13 132.00 133.06 1uaj h PRO 144 Ca 0.15 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1uaj h PRO 144 Cb 0.37 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1uaj h PRO 144 CO 0.01 0.88 0.08 0.00 -0.21 0.00 0.00 178.00 178.75 1uaj h ALA 145 N 1.32 0.61 -0.16 -0.75 0.00 -0.82 -1.27 119.26 118.20 1uaj h ALA 145 Ca 0.32 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1uaj h ALA 145 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1uaj h ALA 145 CO -0.05 0.33 -0.32 0.52 0.00 0.00 0.00 179.25 179.72 1uaj h MET 146 N 0.63 0.31 -0.53 0.00 2.86 -0.77 -1.10 114.93 116.33 1uaj h MET 146 Ca 0.14 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1uaj h MET 146 Cb 0.38 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1uaj h MET 146 CO 0.01 0.61 0.15 1.15 1.06 0.00 0.00 176.91 179.88 1uaj h THR 147 N 0.27 1.24 -0.43 2.22 2.02 -0.71 -0.76 112.91 116.76 1uaj h THR 147 Ca 0.03 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1uaj h THR 147 Cb 0.71 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1uaj h THR 147 CO 0.05 0.30 0.12 0.25 0.37 0.00 0.00 175.52 176.62 1uaj h LEU 148 N 0.74 0.64 -0.38 2.58 6.46 -0.85 -1.44 115.31 123.06 1uaj h LEU 148 Ca 0.17 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1uaj h LEU 148 Cb 0.31 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1uaj h LEU 148 CO -0.00 0.69 0.22 0.40 -0.62 0.00 0.00 178.44 179.12 1uaj h ILE 149 N 0.55 1.14 -0.46 4.05 2.04 -1.04 -1.48 117.51 122.31 1uaj h ILE 149 Ca 0.14 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1uaj h ILE 149 Cb 0.29 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1uaj h ILE 149 CO -0.00 0.14 0.25 -0.78 0.00 0.00 0.00 178.15 177.76 1uaj h ASP 150 N 0.49 0.39 -0.51 1.72 1.82 -0.99 0.11 116.42 119.46 1uaj h ASP 150 Ca 0.13 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1uaj h ASP 150 Cb 0.04 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 1uaj h ASP 150 CO -0.02 0.27 0.16 0.00 -1.61 0.00 0.00 179.24 178.04 1uaj h ALA 151 N 1.23 0.66 0.00 -0.78 0.00 -0.96 -3.09 119.26 116.32 1uaj h ALA 151 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1uaj h ALA 151 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1uaj h ALA 151 CO -0.11 0.32 -0.65 -0.39 0.00 0.00 0.00 179.25 178.42 1uaj h VAL 152 N 0.69 1.19 -0.48 0.00 -1.51 -1.08 -3.24 116.25 111.82 1uaj h VAL 152 Ca 0.16 -2.48 0.09 0.00 -1.23 0.00 0.00 66.70 63.24 1uaj h VAL 152 Cb 0.28 2.45 -0.03 0.00 -2.13 0.00 0.00 31.29 31.86 1uaj h VAL 152 CO -0.00 0.64 0.33 0.00 -1.23 0.00 0.00 177.57 177.30 1uaj h ALA 153 N 1.35 2.09 0.00 5.19 0.00 -0.69 0.24 119.26 127.43 1uaj h ALA 153 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uaj h ALA 153 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1uaj h ALA 153 CO 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1uaj h ARG 154 N 0.28 0.00 -0.02 0.00 3.08 -1.61 -1.72 114.38 114.40 1uaj h ARG 154 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1uaj h ARG 154 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1uaj h ARG 154 CO -0.05 0.00 -0.34 1.19 -1.07 0.00 0.00 179.97 179.71 1uaj n PHE 155 N -2.33 0.00 -2.32 3.04 3.72 0.07 -4.93 117.46 114.71 1uaj n PHE 155 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1uaj n PHE 155 Cb 0.10 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1uaj n PHE 155 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1uaj s ILE 156 N -2.40 3.82 0.17 4.37 1.01 -0.65 -4.96 121.20 122.56 1uaj s ILE 156 Ca 0.22 1.26 -0.33 0.00 0.00 0.00 0.00 60.65 61.81 1uaj s ILE 156 Cb 0.19 -3.81 -0.13 0.00 0.01 0.00 0.00 42.46 38.72 1uaj s ILE 156 CO 0.51 0.06 1.69 -2.65 0.00 0.00 0.00 174.94 174.55 1uaj n PRO 157 N 4.51 2.55 0.00 2.79 -0.02 -1.26 -1.19 135.00 142.38 1uaj n PRO 157 Ca 0.11 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1uaj n PRO 157 Cb 0.45 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1uaj n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uaj n GLY 158 N 3.82 3.04 3.49 -1.23 0.00 -1.26 -4.91 105.19 108.15 1uaj n GLY 158 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1uaj n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uaj s VAL 159 N -2.66 4.42 0.00 1.61 1.01 -0.33 -5.11 120.40 119.34 1uaj s VAL 159 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1uaj s VAL 159 Cb 0.00 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1uaj s VAL 159 CO 0.00 -1.19 0.00 0.18 0.00 0.00 0.00 175.10 174.09 1uaj n LEU 160 N 7.39 0.00 0.14 3.92 4.77 -1.26 -4.84 117.00 127.12 1uaj n LEU 160 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1uaj n LEU 160 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1uaj n LEU 160 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1uaj n GLY 174 N 0.00 -0.29 2.67 -0.72 0.00 -1.26 -5.21 105.19 100.38 1uaj n GLY 174 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1uaj n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uaj n LEU 175 N -3.48 0.00 -4.77 0.99 4.32 -1.26 -5.01 117.00 107.79 1uaj n LEU 175 Ca 0.00 -1.12 -0.40 0.00 -0.02 0.00 0.00 56.01 54.47 1uaj n LEU 175 Cb 0.00 -0.64 -0.01 0.00 -1.62 0.00 0.00 43.42 41.15 1uaj n LEU 175 CO 0.00 -1.08 0.97 -0.76 -1.22 0.00 0.00 177.39 175.31 1uaj s LEU 176 N 0.00 4.28 0.66 2.23 1.43 -1.26 -4.96 118.68 121.05 1uaj s LEU 176 Ca 0.51 2.68 -0.16 0.00 -1.03 0.00 0.00 54.13 56.12 1uaj s LEU 176 Cb -0.02 -3.82 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 1uaj s LEU 176 CO 0.35 -0.75 1.16 -1.81 0.23 0.00 0.00 176.35 175.53 1uaj s ASP 177 N -0.64 4.89 0.70 2.29 1.01 -1.26 -4.65 116.67 119.01 1uaj s ASP 177 Ca 0.54 2.22 -0.11 0.00 0.71 0.00 0.00 52.55 55.91 1uaj s ASP 177 Cb -0.39 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 40.97 1uaj s ASP 177 CO 0.51 -1.78 1.07 0.00 0.21 0.00 0.00 175.17 175.18 1uaj s PRO 179 N -5.22 3.80 0.08 0.00 0.04 -1.26 -4.98 135.00 127.46 1uaj s PRO 179 Ca 0.58 2.37 0.06 0.00 0.04 0.00 0.00 61.00 64.05 1uaj s PRO 179 Cb -0.12 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1uaj s PRO 179 CO 0.53 -0.70 -0.11 -1.01 0.04 0.00 0.00 177.00 175.75 1uaj s HIS 180 N -1.21 2.72 0.00 0.56 3.76 -1.26 -5.08 115.29 114.79 1uaj s HIS 180 Ca 0.59 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 1uaj s HIS 180 Cb -0.42 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 1uaj s HIS 180 CO 0.55 0.39 0.04 0.71 -0.85 0.00 0.00 174.74 175.57 1uaj s TYR 181 N -1.12 0.09 0.21 1.40 2.02 -1.26 -5.16 117.35 113.52 1uaj s TYR 181 Ca 0.19 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1uaj s TYR 181 Cb -0.11 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 1uaj s TYR 181 CO 0.11 -0.14 0.25 -2.37 -1.57 0.00 0.00 175.55 171.83 1uaj n THR 182 N 2.18 0.00 -1.65 -0.71 5.66 -1.26 -5.14 114.28 113.36 1uaj n THR 182 Ca -0.19 -1.30 -0.38 0.00 -3.05 0.00 0.00 64.05 59.13 1uaj n THR 182 Cb 0.57 0.72 0.05 0.00 -1.55 0.00 0.00 70.33 70.12 1uaj n THR 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1uaj n ARG 183 N -0.38 1.12 -2.21 1.09 1.74 -1.26 -4.62 116.66 112.14 1uaj n ARG 183 Ca 0.02 0.42 -0.27 0.00 -0.77 0.00 0.00 57.85 57.26 1uaj n ARG 183 Cb 0.37 -2.25 0.05 0.00 -1.02 0.00 0.00 32.46 29.61 1uaj n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uaj s PRO 184 N -2.72 2.52 0.38 5.56 0.04 -1.26 -5.08 135.00 134.44 1uaj s PRO 184 Ca 0.74 -0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.81 1uaj s PRO 184 Cb -0.43 -2.17 0.74 0.00 0.04 0.00 0.00 34.50 32.68 1uaj s PRO 184 CO 0.48 -1.04 1.91 1.49 0.04 0.00 0.00 177.00 179.88 1uaj h GLU 185 N -0.48 0.30 -4.06 4.56 4.81 -1.93 -3.39 114.58 114.39 1uaj h GLU 185 Ca -0.45 -0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.16 1uaj h GLU 185 Cb 1.29 -0.04 -0.38 0.00 0.63 0.00 0.00 28.75 30.24 1uaj h GLU 185 CO 0.61 0.41 -0.79 0.08 -0.73 0.00 0.00 179.01 178.60 1uaj s VAL 186 N -4.78 1.03 -0.35 0.32 1.01 -1.26 -2.34 120.40 114.03 1uaj s VAL 186 Ca -0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1uaj s VAL 186 Cb 0.15 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1uaj s VAL 186 CO 0.74 0.05 0.13 -0.22 0.00 0.00 0.00 175.10 175.80 1uaj s LEU 187 N 1.66 4.43 -1.49 3.92 2.96 0.36 -4.59 118.68 125.92 1uaj s LEU 187 Ca -0.00 -1.15 -0.09 0.00 -0.22 0.00 0.00 54.13 52.67 1uaj s LEU 187 Cb -0.16 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.70 1uaj s LEU 187 CO -0.07 -0.35 0.76 -0.62 -1.32 0.00 0.00 176.35 174.75 1uaj n GLU 188 N 4.84 -4.44 -0.11 1.98 1.02 -1.26 -0.99 120.64 121.67 1uaj n GLU 188 Ca -0.12 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1uaj n GLU 188 Cb 0.45 -5.14 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 1uaj n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uaj n GLY 189 N -1.67 1.94 3.64 0.62 0.00 -1.26 -5.02 105.19 103.44 1uaj n GLY 189 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1uaj n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uaj s LEU 190 N 0.00 4.10 0.29 0.99 1.43 -0.16 -5.07 118.68 120.26 1uaj s LEU 190 Ca 0.00 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1uaj s LEU 190 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1uaj s LEU 190 CO 0.00 -0.15 0.51 0.42 0.23 0.00 0.00 176.35 177.36 1uaj s THR 191 N 1.73 5.10 0.19 5.49 -4.23 -1.26 -0.49 115.64 122.16 1uaj s THR 191 Ca 0.19 -0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 1uaj s THR 191 Cb -0.15 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 1uaj s THR 191 CO 0.09 -0.36 0.90 -0.69 -0.54 0.00 0.00 174.62 174.02 1uaj s VAL 192 N -2.11 4.25 -0.05 2.29 1.01 -0.99 -4.96 120.40 119.86 1uaj s VAL 192 Ca 0.41 1.98 -0.37 0.00 0.00 0.00 0.00 61.98 64.00 1uaj s VAL 192 Cb -0.10 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.84 1uaj s VAL 192 CO 0.32 0.46 1.58 -2.65 0.00 0.00 0.00 175.10 174.80 1uaj n PRO 193 N 1.85 1.42 -0.34 2.72 -0.02 -1.26 -4.82 135.00 134.54 1uaj n PRO 193 Ca -0.02 0.52 0.21 0.00 -2.02 0.00 0.00 63.50 62.19 1uaj n PRO 193 Cb 0.48 -2.22 0.44 0.00 -0.02 0.00 0.00 33.50 32.18 1uaj n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uaj h PRO 194 N 6.21 0.45 -0.81 0.52 0.11 -1.99 -1.01 132.00 135.49 1uaj h PRO 194 Ca -0.47 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1uaj h PRO 194 Cb 1.31 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1uaj h PRO 194 CO 0.87 0.30 0.53 -0.24 -0.21 0.00 0.00 178.00 179.25 1uaj h VAL 195 N 0.46 0.94 0.00 3.15 3.04 -1.99 0.50 116.25 122.35 1uaj h VAL 195 Ca 0.67 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 1uaj h VAL 195 Cb 1.45 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1uaj h VAL 195 CO -0.48 0.13 0.00 -0.07 -1.01 0.00 0.00 177.57 176.14 1uaj h LEU 196 N 0.73 0.00 -1.12 3.16 3.38 -1.53 -2.57 115.31 117.36 1uaj h LEU 196 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1uaj h LEU 196 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1uaj h LEU 196 CO -0.15 0.00 -0.36 0.23 0.09 0.00 0.00 178.44 178.26 1uaj n MET 197 N -2.58 1.48 0.17 1.13 2.81 0.09 -4.48 117.12 115.73 1uaj n MET 197 Ca 0.02 -1.10 0.04 0.00 -1.81 0.00 0.00 57.70 54.85 1uaj n MET 197 Cb 0.28 -1.42 0.25 0.00 -0.71 0.00 0.00 33.22 31.62 1uaj n MET 197 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1uaj h SER 198 N 2.61 0.00 0.00 7.83 4.64 -0.90 -3.47 113.55 124.25 1uaj h SER 198 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uaj h SER 198 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1uaj h SER 198 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1uaj n GLY 199 N 0.44 0.90 3.49 -0.77 0.00 -1.26 -4.96 105.19 103.03 1uaj n GLY 199 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1uaj n GLY 199 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uaj s HIS 200 N -3.56 2.75 0.30 1.61 3.76 -1.26 -4.90 115.29 113.98 1uaj s HIS 200 Ca 0.00 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.07 1uaj s HIS 200 Cb 0.00 -4.44 0.76 0.00 1.11 0.00 0.00 32.58 30.01 1uaj s HIS 200 CO 0.00 -1.72 1.65 1.25 -0.85 0.00 0.00 174.74 175.07 1uaj h HIS 201 N 9.42 0.45 -0.14 1.40 2.76 -1.95 -1.31 115.15 125.79 1uaj h HIS 201 Ca 0.01 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 1uaj h HIS 201 Cb 1.03 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 1uaj h HIS 201 CO 1.14 -0.19 -0.24 1.49 -1.30 0.00 0.00 177.93 178.83 1uaj h GLU 202 N 0.24 0.41 -0.46 5.26 4.57 -2.00 -1.93 114.58 120.68 1uaj h GLU 202 Ca 0.58 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1uaj h GLU 202 Cb 1.18 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1uaj h GLU 202 CO -0.64 0.85 0.13 0.93 -1.18 0.00 0.00 179.01 179.10 1uaj h GLU 203 N 0.02 0.68 -0.23 1.92 4.39 -1.83 -2.12 114.58 117.41 1uaj h GLU 203 Ca 0.01 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1uaj h GLU 203 Cb 0.82 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1uaj h GLU 203 CO 0.05 0.61 -0.06 0.82 -1.16 0.00 0.00 179.01 179.27 1uaj h ILE 204 N 0.67 1.28 -0.53 3.13 2.04 -1.23 -0.98 117.51 121.90 1uaj h ILE 204 Ca 0.15 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1uaj h ILE 204 Cb 0.22 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1uaj h ILE 204 CO -0.01 0.33 0.29 -0.09 0.00 0.00 0.00 178.15 178.68 1uaj h ARG 205 N 0.19 0.56 -0.41 2.37 2.43 -1.06 -0.85 114.38 117.61 1uaj h ARG 205 Ca 0.06 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1uaj h ARG 205 Cb 0.52 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1uaj h ARG 205 CO 0.02 0.37 -0.27 0.87 -1.51 0.00 0.00 179.97 179.46 1uaj h LYS 206 N 0.58 0.90 -0.39 0.20 1.57 -1.35 -2.14 116.57 115.94 1uaj h LYS 206 Ca 0.22 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1uaj h LYS 206 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1uaj h LYS 206 CO -0.12 1.08 0.22 2.35 -0.57 0.00 0.00 179.45 182.41 1uaj h TRP 207 N 0.72 0.53 -0.58 -1.35 7.01 -0.89 -1.04 115.95 120.36 1uaj h TRP 207 Ca 0.08 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1uaj h TRP 207 Cb 0.84 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.71 1uaj h TRP 207 CO 0.06 0.40 0.23 0.00 -2.79 0.00 0.00 178.44 176.33 1uaj h ARG 208 N 0.51 0.87 -0.46 2.65 3.08 -1.13 -1.52 114.38 118.38 1uaj h ARG 208 Ca 0.14 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1uaj h ARG 208 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1uaj h ARG 208 CO -0.02 0.75 0.20 1.25 -1.07 0.00 0.00 179.97 181.07 1uaj h LEU 209 N 0.80 0.63 -0.45 3.04 5.85 -1.20 -0.95 115.31 123.02 1uaj h LEU 209 Ca 0.19 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1uaj h LEU 209 Cb 0.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1uaj h LEU 209 CO -0.01 0.62 0.29 0.50 -0.34 0.00 0.00 178.44 179.50 1uaj h LYS 210 N 0.61 0.58 -0.47 1.25 3.64 -0.98 -0.75 116.57 120.45 1uaj h LYS 210 Ca 0.16 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1uaj h LYS 210 Cb 0.17 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1uaj h LYS 210 CO -0.01 0.39 -0.03 1.96 -2.27 0.00 0.00 179.45 179.48 1uaj h GLN 211 N 0.60 0.80 -0.37 1.90 1.08 -1.10 -0.54 115.11 117.47 1uaj h GLN 211 Ca 0.17 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1uaj h GLN 211 Cb -0.06 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1uaj h GLN 211 CO -0.04 0.82 0.08 1.03 -0.95 0.00 0.00 178.83 179.77 1uaj h SER 212 N 0.74 0.58 -0.48 1.46 0.87 -0.74 -1.17 113.55 114.81 1uaj h SER 212 Ca 0.14 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1uaj h SER 212 Cb 0.49 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1uaj h SER 212 CO 0.02 0.67 0.07 -0.07 -0.53 0.00 0.00 176.83 176.99 1uaj h LEU 213 N 0.46 0.77 -0.29 2.23 3.38 -0.94 -1.03 115.31 119.90 1uaj h LEU 213 Ca 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1uaj h LEU 213 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1uaj h LEU 213 CO 0.00 0.85 0.14 -0.61 0.09 0.00 0.00 178.44 178.91 1uaj h GLN 214 N 0.67 0.42 -0.47 1.13 4.15 -0.99 -0.20 115.11 119.81 1uaj h GLN 214 Ca 0.14 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1uaj h GLN 214 Cb 0.41 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1uaj h GLN 214 CO 0.01 0.40 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.14 1uaj h ARG 215 N 0.34 0.83 -0.54 1.69 2.43 -1.14 -0.67 114.38 117.32 1uaj h ARG 215 Ca 0.10 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1uaj h ARG 215 Cb 0.12 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1uaj h ARG 215 CO -0.01 0.88 0.01 1.15 -1.51 0.00 0.00 179.97 180.49 1uaj h THR 216 N 0.76 1.26 -0.40 0.20 2.02 -0.99 0.12 112.91 115.88 1uaj h THR 216 Ca 0.13 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1uaj h THR 216 Cb 0.56 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1uaj h THR 216 CO 0.03 0.39 0.16 -0.25 0.37 0.00 0.00 175.52 176.22 1uaj h TRP 217 N 0.81 0.61 -0.03 3.16 7.01 -0.73 0.29 115.95 127.08 1uaj h TRP 217 Ca 0.15 -0.05 -0.22 0.00 2.11 0.00 0.00 58.89 60.88 1uaj h TRP 217 Cb 0.51 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1uaj h TRP 217 CO 0.04 0.54 -0.89 -0.07 -2.79 0.00 0.00 178.44 175.27 1uaj h LEU 218 N 0.50 0.62 0.00 0.65 3.38 -1.03 -3.27 115.31 116.16 1uaj h LEU 218 Ca 0.13 -0.47 -0.37 0.00 0.09 0.00 0.00 57.88 57.27 1uaj h LEU 218 Cb 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1uaj h LEU 218 CO -0.01 1.25 -2.39 0.54 0.09 0.00 0.00 178.44 177.92 1uaj n ARG 219 N -3.80 0.70 -3.07 1.13 1.74 0.02 -4.78 116.66 108.60 1uaj n ARG 219 Ca -0.07 0.09 -0.18 0.00 -0.77 0.00 0.00 57.85 56.92 1uaj n ARG 219 Cb 0.81 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 1uaj n ARG 219 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1uaj n ARG 220 N -3.03 1.28 0.18 5.56 5.12 0.91 -4.94 116.66 121.74 1uaj n ARG 220 Ca -0.39 -3.53 0.18 0.00 -1.93 0.00 0.00 57.85 52.18 1uaj n ARG 220 Cb 1.03 -1.70 0.78 0.00 -1.16 0.00 0.00 32.46 31.41 1uaj n ARG 220 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1uaj h PRO 221 N 2.99 0.00 -0.03 5.56 0.13 -1.26 -0.64 132.00 138.75 1uaj h PRO 221 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1uaj h PRO 221 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1uaj h PRO 221 CO 0.54 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.20 1uaj h GLU 222 N 0.00 0.04 0.00 0.86 3.07 -1.91 -1.48 114.58 115.16 1uaj h GLU 222 Ca 0.12 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1uaj h GLU 222 Cb 0.90 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1uaj h GLU 222 CO -0.00 0.08 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.41 1uaj h LEU 223 N 0.04 0.00 -0.35 1.33 3.38 -1.44 -2.72 115.31 115.55 1uaj h LEU 223 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1uaj h LEU 223 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1uaj h LEU 223 CO 0.01 0.21 -0.64 -0.07 0.09 0.00 0.00 178.44 178.04 1uaj h LEU 224 N 0.00 0.77 -9.17 1.67 3.38 -1.42 -3.43 115.31 107.12 1uaj h LEU 224 Ca -0.00 -0.45 -0.56 0.00 0.09 0.00 0.00 57.88 56.96 1uaj h LEU 224 Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1uaj h LEU 224 CO 0.03 1.21 1.17 -1.61 0.09 0.00 0.00 178.44 179.33 1uaj s GLU 225 N -3.91 3.93 0.00 1.13 2.02 -1.03 -2.18 118.70 118.66 1uaj s GLU 225 Ca -0.09 2.05 0.00 0.00 0.02 0.00 0.00 54.97 56.95 1uaj s GLU 225 Cb 0.10 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.26 1uaj s GLU 225 CO 0.87 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1uaj n GLY 226 N 4.55 1.25 2.77 -1.39 0.00 -1.26 -5.00 105.19 106.11 1uaj n GLY 226 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1uaj n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uaj s LEU 227 N 0.00 0.14 -0.92 0.99 0.20 -0.93 -5.09 118.68 113.08 1uaj s LEU 227 Ca 0.00 0.21 -0.20 0.00 0.69 0.00 0.00 54.13 54.83 1uaj s LEU 227 Cb 0.00 0.09 0.10 0.00 -0.43 0.00 0.00 46.19 45.96 1uaj s LEU 227 CO 0.00 -0.23 1.19 0.00 -0.29 0.00 0.00 176.35 177.02 1uaj s ALA 228 N 2.09 3.16 0.79 5.97 0.00 -1.26 -4.99 121.76 127.52 1uaj s ALA 228 Ca 0.02 -2.51 -0.15 0.00 0.00 0.00 0.00 51.96 49.32 1uaj s ALA 228 Cb -0.12 -4.15 -0.02 0.00 0.00 0.00 0.00 23.12 18.83 1uaj s ALA 228 CO -0.04 -3.12 0.48 1.28 0.00 0.00 0.00 175.76 174.35 1uaj n LEU 229 N 7.31 0.47 -4.77 0.00 4.77 -1.26 -4.98 117.00 118.54 1uaj n LEU 229 Ca 0.23 0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 56.42 1uaj n LEU 229 Cb 0.49 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.48 1uaj n LEU 229 CO 0.56 -3.29 0.69 0.42 -1.33 0.00 0.00 177.39 174.45 1uaj s THR 230 N -2.05 2.84 0.19 -5.08 -4.23 -1.26 -4.81 115.64 101.25 1uaj s THR 230 Ca 0.63 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.30 1uaj s THR 230 Cb -0.31 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1uaj s THR 230 CO 0.61 -0.36 1.78 0.44 -0.54 0.00 0.00 174.62 176.55 1uaj h ASP 231 N -1.30 0.39 -0.32 3.99 3.45 -2.00 -1.47 116.42 119.16 1uaj h ASP 231 Ca -0.48 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.02 1uaj h ASP 231 Cb 1.28 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1uaj h ASP 231 CO 0.58 0.25 0.20 -0.08 -1.57 0.00 0.00 179.24 178.62 1uaj h GLU 232 N 0.53 0.43 -0.58 3.56 4.81 -2.00 -1.79 114.58 119.54 1uaj h GLU 232 Ca 0.26 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1uaj h GLU 232 Cb 0.20 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1uaj h GLU 232 CO -0.20 0.31 0.36 1.96 -0.73 0.00 0.00 179.01 180.71 1uaj h GLN 233 N 0.42 0.70 -0.92 1.92 4.20 -1.82 -0.87 115.11 118.73 1uaj h GLN 233 Ca 0.11 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1uaj h GLN 233 Cb -0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1uaj h GLN 233 CO -0.02 0.46 0.57 0.00 -0.67 0.00 0.00 178.83 179.17 1uaj h ARG 234 N 0.72 1.25 -0.15 1.46 3.08 -1.01 0.94 114.38 120.67 1uaj h ARG 234 Ca 0.23 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1uaj h ARG 234 Cb -0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1uaj h ARG 234 CO -0.09 0.86 0.00 -0.22 -1.07 0.00 0.00 179.97 179.46 1uaj h LYS 235 N 1.27 0.26 -0.60 0.04 3.64 -0.72 -1.21 116.57 119.25 1uaj h LYS 235 Ca 0.33 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1uaj h LYS 235 Cb -0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1uaj h LYS 235 CO -0.06 0.48 0.06 -0.07 -2.27 0.00 0.00 179.45 177.59 1uaj h LEU 236 N -0.00 0.99 -0.56 5.20 3.38 -0.96 -1.91 115.31 121.44 1uaj h LEU 236 Ca 0.04 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1uaj h LEU 236 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1uaj h LEU 236 CO 0.01 1.02 0.13 0.25 0.09 0.00 0.00 178.44 179.94 1uaj h LEU 237 N 0.92 0.86 -0.56 1.67 5.85 -0.79 -0.80 115.31 122.46 1uaj h LEU 237 Ca 0.18 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1uaj h LEU 237 Cb 0.48 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1uaj h LEU 237 CO 0.02 0.87 0.34 0.50 -0.34 0.00 0.00 178.44 179.83 1uaj h LYS 238 N 0.81 0.65 -0.37 1.25 3.64 -1.02 0.01 116.57 121.54 1uaj h LYS 238 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1uaj h LYS 238 Cb 0.35 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1uaj h LYS 238 CO 0.00 0.43 0.19 0.93 -2.27 0.00 0.00 179.45 178.73 1uaj h GLU 239 N 0.67 0.52 -0.57 1.90 5.08 -1.05 -1.94 114.58 119.18 1uaj h GLU 239 Ca 0.23 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1uaj h GLU 239 Cb 0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1uaj h GLU 239 CO -0.10 0.45 0.37 0.00 -1.00 0.00 0.00 179.01 178.73 1uaj h ALA 240 N 1.04 0.73 -0.72 3.43 0.00 -0.65 -0.60 119.26 122.49 1uaj h ALA 240 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1uaj h ALA 240 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1uaj h ALA 240 CO -0.02 0.13 0.35 1.96 0.00 0.00 0.00 179.25 181.66 1uaj h GLN 241 N 0.74 1.04 -0.53 0.00 4.20 -0.80 0.79 115.11 120.55 1uaj h GLN 241 Ca 0.22 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1uaj h GLN 241 Cb -0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1uaj h GLN 241 CO -0.07 0.82 -0.04 0.00 -0.67 0.00 0.00 178.83 178.87 1uaj h ALA 242 N 1.17 0.72 -0.46 3.87 0.00 -1.02 -2.58 119.26 120.95 1uaj h ALA 242 Ca 0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1uaj h ALA 242 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1uaj h ALA 242 CO -0.03 0.57 -0.23 0.93 0.00 0.00 0.00 179.25 180.49 1uaj h GLU 243 N 0.84 0.97 -0.54 0.00 5.08 -0.82 -2.38 114.58 117.72 1uaj h GLU 243 Ca 0.15 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1uaj h GLU 243 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1uaj h GLU 243 CO 0.03 1.09 0.33 1.25 -1.00 0.00 0.00 179.01 180.72 1uaj h HIS 244 N 0.83 0.71 0.00 4.33 2.76 -0.75 -3.31 115.15 119.73 1uaj h HIS 244 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1uaj h HIS 244 Cb 0.81 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1uaj h HIS 244 CO 0.05 0.48 0.00 0.09 -1.30 0.00 0.00 177.93 177.25 1uaj n ASN 245 N -4.67 0.00 0.00 3.26 5.03 -0.98 -5.11 115.26 112.79 1uaj n ASN 245 Ca 0.03 0.65 0.10 0.00 0.87 0.00 0.00 54.58 56.23 1uaj n ASN 245 Cb 0.05 -0.30 0.60 0.00 -1.02 0.00 0.00 39.78 39.10 1uaj n ASN 245 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89