#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5k n GLY 2 N 0.00 2.04 3.47 0.46 0.00 -1.26 -5.15 105.19 104.74 2a5k n GLY 2 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 2a5k n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a5k s PHE 3 N 0.00 -0.87 0.22 1.61 5.36 -1.26 -5.14 117.98 117.90 2a5k s PHE 3 Ca 0.00 1.76 -0.07 0.00 -0.96 0.00 0.00 56.93 57.66 2a5k s PHE 3 Cb 0.00 0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 43.13 2a5k s PHE 3 CO 0.00 -0.46 0.30 -0.98 -1.46 0.00 0.00 175.22 172.63 2a5k s ARG 4 N 1.64 1.38 -0.11 10.12 1.70 -1.26 -5.00 118.95 127.42 2a5k s ARG 4 Ca -0.09 -1.45 -0.29 0.00 -0.47 0.00 0.00 55.73 53.43 2a5k s ARG 4 Cb -0.07 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2a5k s ARG 4 CO -0.17 -0.52 1.77 0.15 -1.08 0.00 0.00 175.30 175.46 2a5k s LYS 5 N -4.08 3.93 0.12 3.89 -0.14 -1.26 -4.99 119.74 117.21 2a5k s LYS 5 Ca 0.31 2.09 0.08 0.00 -1.36 0.00 0.00 55.97 57.09 2a5k s LYS 5 Cb 0.03 -4.08 -0.04 0.00 -1.68 0.00 0.00 37.83 32.06 2a5k s LYS 5 CO 0.11 -1.15 -0.13 0.00 -0.76 0.00 0.00 175.35 173.41 2a5k s MET 6 N 4.58 1.97 0.32 1.68 0.23 -1.26 -4.96 119.30 121.87 2a5k s MET 6 Ca 0.79 -1.12 0.02 0.00 -1.03 0.00 0.00 55.69 54.35 2a5k s MET 6 Cb -0.33 -2.20 -0.03 0.00 -1.53 0.00 0.00 34.83 30.74 2a5k s MET 6 CO 0.32 0.49 0.50 0.00 -2.03 0.00 0.00 175.02 174.30 2a5k s ALA 7 N -1.24 3.80 0.56 3.16 0.00 -1.26 -4.74 121.76 122.03 2a5k s ALA 7 Ca 0.20 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2a5k s ALA 7 Cb -0.11 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 2a5k s ALA 7 CO 0.12 0.03 1.19 -0.06 0.00 0.00 0.00 175.76 177.04 2a5k s PHE 8 N -2.23 2.53 0.51 0.00 0.08 -1.26 -4.98 117.98 112.63 2a5k s PHE 8 Ca 0.39 1.52 -0.22 0.00 0.12 0.00 0.00 56.93 58.73 2a5k s PHE 8 Cb -0.09 -3.43 -0.07 0.00 -0.57 0.00 0.00 43.02 38.85 2a5k s PHE 8 CO 0.34 -1.97 1.19 -2.30 -0.10 0.00 0.00 175.22 172.37 2a5k n PRO 9 N -1.31 1.51 -0.07 0.24 -0.02 -1.26 -4.88 135.00 129.21 2a5k n PRO 9 Ca 0.12 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 2a5k n PRO 9 Cb 0.49 -2.34 0.09 0.00 -0.02 0.00 0.00 33.50 31.72 2a5k n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a5k n SER 10 N -0.39 2.34 -0.23 2.55 3.41 -1.26 -4.66 113.62 115.37 2a5k n SER 10 Ca 0.10 -1.68 0.03 0.00 -0.26 0.00 0.00 58.87 57.06 2a5k n SER 10 Cb 0.43 -0.09 0.12 0.00 -0.26 0.00 0.00 64.21 64.41 2a5k n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2a5k h GLY 11 N 2.17 0.72 1.64 5.00 0.00 -2.01 -1.46 103.07 109.14 2a5k h GLY 11 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 2a5k h GLY 11 CO 0.00 -0.25 -0.30 0.50 0.00 0.00 0.00 176.54 176.48 2a5k h LYS 12 N 0.09 0.41 -0.00 4.80 1.57 -1.97 -2.73 116.57 118.74 2a5k h LYS 12 Ca 0.37 -0.17 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 2a5k h LYS 12 Cb 0.62 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2a5k h LYS 12 CO -0.62 0.68 -0.90 0.28 -0.57 0.00 0.00 179.45 178.32 2a5k h VAL 13 N 0.36 1.44 -0.49 0.50 2.07 -1.76 -3.32 116.25 115.06 2a5k h VAL 13 Ca 0.05 -2.50 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 2a5k h VAL 13 Cb 0.72 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2a5k h VAL 13 CO 0.06 0.74 0.18 -0.33 0.02 0.00 0.00 177.57 178.24 2a5k h GLU 14 N 0.18 0.70 0.00 1.57 5.08 -0.96 -1.09 114.58 120.05 2a5k h GLU 14 Ca -0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2a5k h GLU 14 Cb 1.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2a5k h GLU 14 CO 0.15 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 2a5k n GLY 15 N -1.09 -0.58 0.35 -3.84 0.00 -1.18 -2.58 105.19 96.27 2a5k n GLY 15 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2a5k n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5k s MET 17 N -1.65 4.37 0.38 0.00 1.00 -1.07 -0.40 119.30 121.94 2a5k s MET 17 Ca 0.12 0.73 0.04 0.00 0.00 0.00 0.00 55.69 56.58 2a5k s MET 17 Cb 0.11 -3.47 -0.05 0.00 0.00 0.00 0.00 34.83 31.42 2a5k s MET 17 CO 0.33 0.03 0.06 0.14 0.00 0.00 0.00 175.02 175.58 2a5k s VAL 18 N 0.97 1.13 -0.18 -6.03 -7.23 0.08 -4.80 120.40 104.35 2a5k s VAL 18 Ca 0.33 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2a5k s VAL 18 Cb -0.17 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2a5k s VAL 18 CO 0.15 0.00 0.03 -1.58 -0.31 0.00 0.00 175.10 173.39 2a5k s GLN 19 N -3.83 3.83 -0.12 4.82 0.74 -0.57 -0.72 119.66 123.82 2a5k s GLN 19 Ca 0.30 -0.42 -0.00 0.00 0.05 0.00 0.00 55.36 55.29 2a5k s GLN 19 Cb 0.07 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 2a5k s GLN 19 CO 0.14 0.20 -0.11 0.08 -0.55 0.00 0.00 175.29 175.05 2a5k s VAL 20 N 0.54 3.25 -0.04 1.34 1.01 0.57 -1.20 120.40 125.87 2a5k s VAL 20 Ca 0.01 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2a5k s VAL 20 Cb -0.13 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 2a5k s VAL 20 CO 0.02 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.53 2a5k s THR 21 N 0.14 1.84 -0.17 3.92 2.01 0.39 -0.80 115.64 122.97 2a5k s THR 21 Ca -0.05 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2a5k s THR 21 Cb -0.15 -1.55 0.07 0.00 0.01 0.00 0.00 72.50 70.88 2a5k s THR 21 CO 0.04 0.52 0.13 0.00 -0.69 0.00 0.00 174.62 174.62 2a5k n GLY 23 N 5.29 3.03 0.52 0.00 0.00 -1.26 -2.16 105.19 110.62 2a5k n GLY 23 Ca -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.77 2a5k n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5k n THR 24 N 0.00 0.53 -3.12 2.61 -2.24 -1.26 -4.94 114.28 105.86 2a5k n THR 24 Ca 0.00 -0.76 -0.40 0.00 -2.27 0.00 0.00 64.05 60.61 2a5k n THR 24 Cb 0.00 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 2a5k n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a5k s THR 25 N -0.94 5.01 -0.10 4.28 2.01 -0.92 -5.07 115.64 119.91 2a5k s THR 25 Ca 0.17 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2a5k s THR 25 Cb 0.10 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2a5k s THR 25 CO 0.14 0.09 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.16 2a5k s THR 26 N 2.08 3.27 0.00 -0.82 2.01 -1.26 -1.43 115.64 119.48 2a5k s THR 26 Ca 0.28 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2a5k s THR 26 Cb -0.16 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.01 2a5k s THR 26 CO 0.10 0.55 0.00 0.00 -0.69 0.00 0.00 174.62 174.58 2a5k n LEU 27 N 2.95 0.00 -4.90 4.42 -0.00 0.02 -4.86 117.00 114.63 2a5k n LEU 27 Ca -0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.50 2a5k n LEU 27 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 2a5k n LEU 27 CO 0.29 0.00 -0.16 0.20 -0.00 0.00 0.00 177.39 177.72 2a5k s ASN 28 N 0.09 6.37 0.21 1.45 0.01 -1.00 -0.32 114.94 121.76 2a5k s ASN 28 Ca 0.00 0.36 0.05 0.00 -0.71 0.00 0.00 52.86 52.57 2a5k s ASN 28 Cb 0.00 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 2a5k s ASN 28 CO 0.00 0.28 -0.08 -0.83 -1.51 0.00 0.00 177.10 174.96 2a5k s GLY 29 N -1.82 1.44 -0.23 0.66 0.00 0.10 -4.35 107.32 103.12 2a5k s GLY 29 Ca 0.26 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.27 2a5k s GLY 29 CO 0.17 -1.70 -0.09 -2.27 0.00 0.00 0.00 173.10 169.21 2a5k s LEU 30 N -3.30 2.96 -0.46 0.66 2.96 0.45 -0.74 118.68 121.22 2a5k s LEU 30 Ca 0.24 -0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 2a5k s LEU 30 Cb 0.03 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 45.15 2a5k s LEU 30 CO 0.07 -0.09 0.37 0.86 -1.32 0.00 0.00 176.35 176.23 2a5k s TRP 31 N 1.33 3.26 -0.08 5.38 -0.00 0.47 -0.16 118.94 129.14 2a5k s TRP 31 Ca 0.01 -0.99 0.02 0.00 -0.00 0.00 0.00 56.10 55.15 2a5k s TRP 31 Cb -0.16 -3.09 0.01 0.00 -0.00 0.00 0.00 33.47 30.24 2a5k s TRP 31 CO -0.06 -0.79 -0.15 -0.51 -0.00 0.00 0.00 176.95 175.44 2a5k s LEU 32 N 1.61 1.75 0.00 5.86 1.43 -0.38 -4.63 118.68 124.32 2a5k s LEU 32 Ca 0.04 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2a5k s LEU 32 Cb -0.24 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 44.99 2a5k s LEU 32 CO 0.06 0.06 0.00 0.47 0.23 0.00 0.00 176.35 177.17 2a5k n ASP 33 N 3.84 0.00 -1.80 2.29 8.00 -1.26 -2.03 116.55 125.59 2a5k n ASP 33 Ca -0.21 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.11 2a5k n ASP 33 Cb 0.52 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.78 2a5k n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2a5k n ASP 34 N 2.81 3.95 -4.30 -2.24 3.85 -1.26 -0.88 116.55 118.48 2a5k n ASP 34 Ca 0.00 -3.73 -0.28 0.00 -0.71 0.00 0.00 54.79 50.07 2a5k n ASP 34 Cb 0.00 -0.74 -0.14 0.00 -1.35 0.00 0.00 41.12 38.89 2a5k n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2a5k s THR 35 N -3.64 1.90 -0.19 2.12 2.01 -0.86 -1.11 115.64 115.88 2a5k s THR 35 Ca 0.53 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 2a5k s THR 35 Cb 0.45 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2a5k s THR 35 CO 0.04 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.50 2a5k s VAL 36 N -0.82 3.53 -0.11 3.82 1.01 0.24 -1.25 120.40 126.83 2a5k s VAL 36 Ca 0.10 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2a5k s VAL 36 Cb -0.09 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2a5k s VAL 36 CO 0.02 0.46 0.23 -0.31 0.00 0.00 0.00 175.10 175.50 2a5k s TYR 37 N 0.93 3.59 0.16 5.22 2.02 0.78 -0.63 117.35 129.42 2a5k s TYR 37 Ca -0.00 0.63 -0.16 0.00 -0.37 0.00 0.00 57.07 57.17 2a5k s TYR 37 Cb -0.15 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2a5k s TYR 37 CO 0.01 0.59 0.44 0.00 -1.57 0.00 0.00 175.55 175.03 2a5k n PRO 39 N -0.27 2.61 0.14 0.00 -0.02 -1.26 -1.31 135.00 134.87 2a5k n PRO 39 Ca -0.13 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 2a5k n PRO 39 Cb 0.63 -2.67 0.51 0.00 -0.02 0.00 0.00 33.50 31.95 2a5k n PRO 39 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2a5k n ARG 40 N 1.56 0.19 0.00 -0.52 1.85 -0.69 -2.25 116.66 116.81 2a5k n ARG 40 Ca 0.06 0.46 0.08 0.00 -1.00 0.00 0.00 57.85 57.45 2a5k n ARG 40 Cb 0.37 -1.89 0.49 0.00 -1.05 0.00 0.00 32.46 30.37 2a5k n ARG 40 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2a5k n HIS 41 N -2.26 0.00 0.15 2.89 1.44 -1.26 -2.04 115.22 114.13 2a5k n HIS 41 Ca 0.02 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.90 2a5k n HIS 41 Cb 0.20 0.00 0.77 0.00 0.12 0.00 0.00 29.99 31.09 2a5k n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2a5k h VAL 42 N 0.00 0.56 -0.13 0.61 3.04 -1.83 -2.24 116.25 116.26 2a5k h VAL 42 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2a5k h VAL 42 Cb 0.00 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2a5k h VAL 42 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 178.86 2a5k n ILE 43 N -3.98 0.17 -3.46 3.17 -5.35 -0.87 -4.53 119.36 104.51 2a5k n ILE 43 Ca 0.04 -0.25 -0.37 0.00 -0.27 0.00 0.00 62.75 61.89 2a5k n ILE 43 Cb 0.40 0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.41 2a5k n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a5k n THR 45 N 3.01 0.00 -0.03 0.00 -2.24 -1.26 -4.87 114.28 108.89 2a5k n THR 45 Ca -0.11 -1.52 -0.11 0.00 -2.27 0.00 0.00 64.05 60.03 2a5k n THR 45 Cb 0.52 -0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 2a5k n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a5k h ALA 46 N -0.59 -0.76 -0.09 6.98 0.00 -2.00 -0.73 119.26 122.07 2a5k h ALA 46 Ca -0.32 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2a5k h ALA 46 Cb 1.18 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 2a5k h ALA 46 CO 0.34 -0.92 0.32 1.05 0.00 0.00 0.00 179.25 180.04 2a5k h GLU 47 N -0.41 0.00 0.15 0.00 4.11 -2.04 -2.95 114.58 113.44 2a5k h GLU 47 Ca 0.03 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.17 2a5k h GLU 47 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2a5k h GLU 47 CO -0.35 0.00 -1.36 -0.44 0.07 0.00 0.00 179.01 176.93 2a5k h ASP 48 N 0.00 0.50 0.33 3.06 3.32 -1.51 -3.39 116.42 118.73 2a5k h ASP 48 Ca 0.04 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 2a5k h ASP 48 Cb 0.68 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2a5k h ASP 48 CO -0.00 1.45 -0.00 0.24 -1.72 0.00 0.00 179.24 179.21 2a5k h MET 49 N 0.09 0.00 -0.24 3.56 2.86 -1.38 -1.88 114.93 117.94 2a5k h MET 49 Ca -0.18 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.34 2a5k h MET 49 Cb 2.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.67 2a5k h MET 49 CO 0.21 0.00 -0.35 1.25 1.06 0.00 0.00 176.91 179.08 2a5k h LEU 50 N 0.00 0.55 -5.04 1.22 6.46 -1.77 0.57 115.31 117.30 2a5k h LEU 50 Ca -0.00 -0.22 -0.25 0.00 -0.12 0.00 0.00 57.88 57.29 2a5k h LEU 50 Cb 0.17 -0.15 -0.16 0.00 -0.73 0.00 0.00 40.66 39.79 2a5k h LEU 50 CO 0.00 0.86 -0.48 -3.20 -0.62 0.00 0.00 178.44 175.00 2a5k n ASN 51 N -4.06 -2.35 -4.74 1.25 5.15 -0.90 -4.22 115.26 105.40 2a5k n ASN 51 Ca -0.01 -3.59 -0.41 0.00 -0.60 0.00 0.00 54.58 49.97 2a5k n ASN 51 Cb 0.48 1.81 -0.04 0.00 -0.53 0.00 0.00 39.78 41.50 2a5k n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2a5k s PRO 52 N 0.26 4.52 -0.53 1.20 0.04 -0.76 -5.00 135.00 134.74 2a5k s PRO 52 Ca 0.25 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 2a5k s PRO 52 Cb 0.28 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.72 2a5k s PRO 52 CO -0.09 -0.02 0.47 1.21 0.04 0.00 0.00 177.00 178.61 2a5k s ASN 53 N -0.14 6.09 0.24 6.66 3.84 -1.26 -4.97 114.94 125.41 2a5k s ASN 53 Ca 0.51 -1.83 0.01 0.00 0.21 0.00 0.00 52.86 51.76 2a5k s ASN 53 Cb -0.33 -2.17 0.28 0.00 -0.55 0.00 0.00 41.25 38.49 2a5k s ASN 53 CO 0.38 -0.82 1.62 1.88 -2.79 0.00 0.00 177.10 177.37 2a5k h TYR 54 N 8.79 0.55 -0.06 0.43 -1.99 -1.98 -0.99 116.97 121.72 2a5k h TYR 54 Ca -0.28 -0.16 -0.08 0.00 2.00 0.00 0.00 58.73 60.21 2a5k h TYR 54 Cb 1.09 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.69 2a5k h TYR 54 CO 0.71 0.80 -0.35 1.05 -0.00 0.00 0.00 178.16 180.37 2a5k h GLU 55 N 0.39 0.12 -0.16 4.88 9.09 -1.98 0.27 114.58 127.18 2a5k h GLU 55 Ca 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 2a5k h GLU 55 Cb 0.88 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.97 2a5k h GLU 55 CO 0.07 0.46 0.03 0.22 0.05 0.00 0.00 179.01 179.84 2a5k h ASP 56 N 0.10 0.26 -0.38 3.06 3.58 -1.77 -1.73 116.42 119.54 2a5k h ASP 56 Ca 0.01 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.07 2a5k h ASP 56 Cb 0.67 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2a5k h ASP 56 CO 0.05 0.45 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.52 2a5k h LEU 57 N 0.05 0.90 -0.47 2.28 3.38 -0.87 -3.18 115.31 117.41 2a5k h LEU 57 Ca 0.05 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 2a5k h LEU 57 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2a5k h LEU 57 CO 0.00 1.14 -0.05 0.25 0.09 0.00 0.00 178.44 179.87 2a5k h LEU 58 N 0.66 0.85 -2.80 1.67 5.85 -0.49 -2.95 115.31 118.09 2a5k h LEU 58 Ca 0.07 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2a5k h LEU 58 Cb 0.85 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2a5k h LEU 58 CO 0.07 0.99 0.02 -0.29 -0.34 0.00 0.00 178.44 178.89 2a5k h ILE 59 N 0.70 0.00 -0.14 4.05 6.09 -1.29 -1.21 117.51 125.71 2a5k h ILE 59 Ca 0.13 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 2a5k h ILE 59 Cb 0.58 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.81 2a5k h ILE 59 CO 0.03 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 2a5k n ARG 60 N -2.99 1.49 -4.44 2.19 1.74 -1.12 -4.89 116.66 108.64 2a5k n ARG 60 Ca -0.03 -0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 56.01 2a5k n ARG 60 Cb 0.08 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.10 2a5k n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2a5k s LYS 61 N -1.81 1.96 0.37 5.56 3.01 -0.46 -5.11 119.74 123.25 2a5k s LYS 61 Ca 0.26 -1.07 0.08 0.00 -1.01 0.00 0.00 55.97 54.23 2a5k s LYS 61 Cb 0.13 -2.17 -0.06 0.00 -1.01 0.00 0.00 37.83 34.72 2a5k s LYS 61 CO 0.20 0.51 0.06 -1.54 0.51 0.00 0.00 175.35 175.09 2a5k s SER 62 N -1.84 4.21 0.29 2.83 1.04 -1.26 -4.99 113.70 113.98 2a5k s SER 62 Ca 0.17 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 2a5k s SER 62 Cb -0.11 -0.51 0.69 0.00 0.10 0.00 0.00 66.02 66.19 2a5k s SER 62 CO 0.08 -0.34 1.59 0.78 0.98 0.00 0.00 173.24 176.33 2a5k h ASN 63 N 1.70 -0.42 0.47 7.02 2.35 -1.94 0.17 115.58 124.93 2a5k h ASN 63 Ca -0.43 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2a5k h ASN 63 Cb 1.25 0.44 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2a5k h ASN 63 CO 0.69 -0.31 0.00 1.57 -1.65 0.00 0.00 177.43 177.74 2a5k n HIS 64 N -5.44 0.60 0.51 1.19 -0.00 -1.26 -2.21 115.22 108.60 2a5k n HIS 64 Ca 0.21 0.26 0.11 0.00 0.46 0.00 0.00 57.72 58.76 2a5k n HIS 64 Cb 0.70 -0.91 0.45 0.00 -0.12 0.00 0.00 29.99 30.10 2a5k n HIS 64 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2a5k n SER 65 N -2.07 0.52 -4.40 0.26 7.64 0.61 -4.69 113.62 111.49 2a5k n SER 65 Ca 0.01 0.60 -0.36 0.00 1.01 0.00 0.00 58.87 60.14 2a5k n SER 65 Cb 0.16 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.50 2a5k n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a5k s PHE 66 N -3.19 3.03 -0.27 1.43 0.08 -0.94 -4.44 117.98 113.68 2a5k s PHE 66 Ca 0.07 -0.60 -0.07 0.00 0.12 0.00 0.00 56.93 56.44 2a5k s PHE 66 Cb 0.11 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2a5k s PHE 66 CO 0.42 -0.39 0.08 -0.48 -0.10 0.00 0.00 175.22 174.75 2a5k s LEU 67 N 1.40 3.64 -0.15 -0.37 0.05 -0.44 -4.70 118.68 118.12 2a5k s LEU 67 Ca 0.05 -0.41 -0.04 0.00 0.05 0.00 0.00 54.13 53.78 2a5k s LEU 67 Cb -0.15 -1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 42.04 2a5k s LEU 67 CO 0.01 -0.11 -0.01 -0.69 -0.55 0.00 0.00 176.35 175.00 2a5k s VAL 68 N 1.58 4.17 -0.06 1.48 1.01 -1.26 -0.46 120.40 126.86 2a5k s VAL 68 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2a5k s VAL 68 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.41 2a5k s VAL 68 CO 0.03 0.51 -0.09 -1.58 0.00 0.00 0.00 175.10 173.98 2a5k s GLN 69 N 0.09 1.35 -0.27 2.72 0.74 -0.34 -1.11 119.66 122.84 2a5k s GLN 69 Ca 0.01 -0.28 -0.00 0.00 0.05 0.00 0.00 55.36 55.14 2a5k s GLN 69 Cb -0.13 -1.19 0.04 0.00 1.10 0.00 0.00 33.01 32.83 2a5k s GLN 69 CO 0.02 -0.03 -0.06 0.00 -0.55 0.00 0.00 175.29 174.67 2a5k s ALA 70 N 0.82 2.68 0.00 1.58 0.00 -0.15 -1.50 121.76 125.19 2a5k s ALA 70 Ca -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2a5k s ALA 70 Cb -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2a5k s ALA 70 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2a5k n GLY 71 N 4.59 3.20 0.41 0.00 0.00 -1.26 -1.36 105.19 110.77 2a5k n GLY 71 Ca -0.15 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2a5k n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a5k n ASN 72 N 9.50 2.45 -4.54 1.61 2.04 -1.26 -4.99 115.26 120.07 2a5k n ASN 72 Ca 0.00 -1.88 -0.37 0.00 -0.44 0.00 0.00 54.58 51.90 2a5k n ASN 72 Cb 0.00 -0.13 -0.11 0.00 -2.53 0.00 0.00 39.78 37.01 2a5k n ASN 72 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2a5k s VAL 73 N -0.93 4.79 0.04 3.53 1.01 -0.46 -5.08 120.40 123.29 2a5k s VAL 73 Ca 0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2a5k s VAL 73 Cb 0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2a5k s VAL 73 CO 0.10 0.34 1.00 -1.10 0.00 0.00 0.00 175.10 175.44 2a5k s GLN 74 N 1.37 4.58 -0.05 2.72 -1.52 -1.26 -0.97 119.66 124.52 2a5k s GLN 74 Ca 0.06 1.47 -0.14 0.00 -1.95 0.00 0.00 55.36 54.80 2a5k s GLN 74 Cb -0.15 -3.43 -0.05 0.00 -0.22 0.00 0.00 33.01 29.17 2a5k s GLN 74 CO 0.05 0.00 0.35 -0.51 -0.25 0.00 0.00 175.29 174.93 2a5k s LEU 75 N 0.73 4.41 -0.04 2.90 1.43 -0.26 -4.96 118.68 122.89 2a5k s LEU 75 Ca 0.51 0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 2a5k s LEU 75 Cb -0.22 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2a5k s LEU 75 CO 0.29 0.28 0.69 -0.60 0.23 0.00 0.00 176.35 177.23 2a5k s ARG 76 N -0.69 4.43 -0.13 1.70 3.52 -1.26 -4.08 118.95 122.43 2a5k s ARG 76 Ca 0.21 0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 56.45 2a5k s ARG 76 Cb -0.15 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2a5k s ARG 76 CO 0.10 0.15 0.75 0.08 -0.81 0.00 0.00 175.30 175.57 2a5k s VAL 77 N 0.51 4.97 0.00 7.11 1.01 -1.26 -0.81 120.40 131.92 2a5k s VAL 77 Ca 0.36 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2a5k s VAL 77 Cb -0.18 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2a5k s VAL 77 CO 0.18 0.13 0.83 2.30 0.00 0.00 0.00 175.10 178.54 2a5k n ILE 78 N 4.34 0.68 -3.60 2.22 -5.35 0.69 -4.65 119.36 113.69 2a5k n ILE 78 Ca 0.01 -0.80 -0.09 0.00 -0.27 0.00 0.00 62.75 61.61 2a5k n ILE 78 Cb 0.50 0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 39.03 2a5k n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2a5k s GLY 79 N -0.68 -0.18 0.01 3.28 0.00 -1.13 -4.94 107.32 103.69 2a5k s GLY 79 Ca 0.00 2.26 -0.08 0.00 0.00 0.00 0.00 44.72 46.90 2a5k s GLY 79 CO 0.00 1.12 0.16 -2.38 0.00 0.00 0.00 173.10 172.00 2a5k s HIS 80 N -0.98 0.04 0.16 1.90 -3.43 -1.26 0.44 115.29 112.16 2a5k s HIS 80 Ca 0.01 -0.16 -0.24 0.00 -0.80 0.00 0.00 55.06 53.86 2a5k s HIS 80 Cb -0.01 -0.04 0.06 0.00 -1.43 0.00 0.00 32.58 31.16 2a5k s HIS 80 CO -0.01 -0.34 0.88 -1.54 -2.00 0.00 0.00 174.74 171.74 2a5k s SER 81 N -1.60 -0.23 -0.08 7.38 1.04 -0.63 -4.99 113.70 114.58 2a5k s SER 81 Ca -0.12 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 55.97 2a5k s SER 81 Cb -0.05 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2a5k s SER 81 CO 0.00 -0.97 -0.22 -0.32 0.98 0.00 0.00 173.24 172.71 2a5k s MET 82 N -3.43 2.82 -0.22 4.02 1.75 -1.26 -1.31 119.30 121.67 2a5k s MET 82 Ca 0.11 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 2a5k s MET 82 Cb -0.02 -2.28 0.06 0.00 2.84 0.00 0.00 34.83 35.42 2a5k s MET 82 CO 0.01 0.31 -0.04 -1.14 -0.65 0.00 0.00 175.02 173.51 2a5k s GLN 83 N 0.03 1.46 3.08 4.11 0.74 0.18 -4.96 119.66 124.30 2a5k s GLN 83 Ca -0.09 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.46 2a5k s GLN 83 Cb -0.15 -2.47 0.00 0.00 1.10 0.00 0.00 33.01 31.49 2a5k s GLN 83 CO 0.05 -0.59 0.00 0.09 -0.55 0.00 0.00 175.29 174.30 2a5k n ASN 84 N 4.75 0.00 -1.05 6.67 3.02 -1.26 -0.13 115.26 127.27 2a5k n ASN 84 Ca -0.12 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.50 2a5k n ASN 84 Cb 0.45 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.84 2a5k n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a5k s LEU 86 N -1.26 3.12 -0.11 0.00 1.43 0.82 -1.70 118.68 120.98 2a5k s LEU 86 Ca 0.32 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2a5k s LEU 86 Cb 0.20 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2a5k s LEU 86 CO 0.17 0.08 0.10 -0.76 0.23 0.00 0.00 176.35 176.17 2a5k s LEU 87 N -3.05 4.17 -0.27 1.79 1.43 -0.43 0.51 118.68 122.83 2a5k s LEU 87 Ca 0.27 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2a5k s LEU 87 Cb -0.08 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2a5k s LEU 87 CO 0.17 0.40 0.00 -0.13 0.23 0.00 0.00 176.35 177.02 2a5k s ARG 88 N -0.98 2.90 -0.21 1.70 0.52 -0.43 -1.48 118.95 120.97 2a5k s ARG 88 Ca 0.14 -0.96 -0.05 0.00 -0.52 0.00 0.00 55.73 54.35 2a5k s ARG 88 Cb -0.12 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 2a5k s ARG 88 CO 0.04 -0.44 0.00 -0.51 0.02 0.00 0.00 175.30 174.41 2a5k s LEU 89 N 1.39 3.24 -0.08 2.53 1.43 0.20 -1.61 118.68 125.78 2a5k s LEU 89 Ca 0.01 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 2a5k s LEU 89 Cb -0.17 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2a5k s LEU 89 CO -0.01 0.04 0.59 -0.75 0.23 0.00 0.00 176.35 176.45 2a5k s LYS 90 N 1.13 4.38 0.33 1.70 2.20 0.17 -0.59 119.74 129.06 2a5k s LYS 90 Ca 0.03 0.68 0.10 0.00 -0.36 0.00 0.00 55.97 56.42 2a5k s LYS 90 Cb -0.14 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 2a5k s LYS 90 CO 0.01 0.16 -0.05 0.14 -0.36 0.00 0.00 175.35 175.25 2a5k s VAL 91 N 0.55 2.55 -0.69 4.02 -7.23 -0.27 -0.22 120.40 119.11 2a5k s VAL 91 Ca 0.32 -2.09 0.23 0.00 -1.81 0.00 0.00 61.98 58.63 2a5k s VAL 91 Cb -0.17 -2.69 0.24 0.00 0.56 0.00 0.00 36.38 34.32 2a5k s VAL 91 CO 0.15 -0.24 1.71 -0.90 -0.31 0.00 0.00 175.10 175.51 2a5k n ASP 92 N -0.86 0.52 -4.18 4.85 5.68 0.01 -4.75 116.55 117.83 2a5k n ASP 92 Ca -0.05 0.59 -0.28 0.00 -0.50 0.00 0.00 54.79 54.56 2a5k n ASP 92 Cb 0.62 -0.72 -0.16 0.00 -1.14 0.00 0.00 41.12 39.72 2a5k n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2a5k s THR 93 N -3.17 1.66 -0.14 2.12 2.01 -1.26 -5.05 115.64 111.81 2a5k s THR 93 Ca 0.08 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2a5k s THR 93 Cb 0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2a5k s THR 93 CO 0.44 0.47 0.25 -0.55 -0.69 0.00 0.00 174.62 174.54 2a5k s SER 94 N 0.02 6.43 -0.16 3.53 0.15 -1.26 -4.47 113.70 117.94 2a5k s SER 94 Ca -0.05 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 56.81 2a5k s SER 94 Cb -0.13 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2a5k s SER 94 CO 0.03 0.19 1.57 0.21 1.20 0.00 0.00 173.24 176.44 2a5k s ASN 95 N 0.01 6.56 0.36 5.45 2.47 -0.06 -4.88 114.94 124.84 2a5k s ASN 95 Ca 0.15 1.82 0.27 0.00 0.42 0.00 0.00 52.86 55.52 2a5k s ASN 95 Cb -0.13 -2.53 1.16 0.00 -1.45 0.00 0.00 41.25 38.30 2a5k s ASN 95 CO 0.04 -1.08 1.80 -0.65 -3.72 0.00 0.00 177.10 173.50 2a5k h PRO 96 N 9.95 0.00 -0.49 0.43 0.11 -1.94 -1.51 132.00 138.56 2a5k h PRO 96 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2a5k h PRO 96 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2a5k h PRO 96 CO 0.98 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.40 2a5k n LYS 97 N -2.49 2.54 -1.67 1.05 5.02 -1.26 -4.97 118.16 116.38 2a5k n LYS 97 Ca 0.01 -2.31 -0.48 0.00 -2.02 0.00 0.00 58.31 53.51 2a5k n LYS 97 Cb 0.22 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 2a5k n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2a5k n THR 98 N 1.30 0.34 -2.29 -0.18 -1.04 -0.57 -4.80 114.28 107.03 2a5k n THR 98 Ca 0.19 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.87 2a5k n THR 98 Cb 0.55 -1.69 0.04 0.00 -1.82 0.00 0.00 70.33 67.42 2a5k n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2a5k s PRO 99 N 2.76 2.73 0.14 -2.82 0.04 -1.26 -5.01 135.00 131.58 2a5k s PRO 99 Ca 0.87 -0.02 -0.34 0.00 0.04 0.00 0.00 61.00 61.55 2a5k s PRO 99 Cb -0.71 -2.22 -0.14 0.00 0.04 0.00 0.00 34.50 31.47 2a5k s PRO 99 CO 0.47 -0.87 1.53 1.63 0.04 0.00 0.00 177.00 179.79 2a5k n LYS 100 N -2.72 1.93 -3.83 4.56 5.02 -1.26 -4.93 118.16 116.94 2a5k n LYS 100 Ca 0.06 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.95 2a5k n LYS 100 Cb 0.58 -2.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.10 2a5k n LYS 100 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2a5k s TYR 101 N 0.84 0.07 0.14 2.13 -0.85 -1.26 -0.87 117.35 117.55 2a5k s TYR 101 Ca 0.80 -0.42 -0.10 0.00 -0.52 0.00 0.00 57.07 56.83 2a5k s TYR 101 Cb -0.74 0.25 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 2a5k s TYR 101 CO 0.40 -0.87 0.28 -1.59 -1.52 0.00 0.00 175.55 172.25 2a5k s LYS 102 N -3.91 1.07 -0.16 -3.49 -2.85 -0.44 -4.90 119.74 105.05 2a5k s LYS 102 Ca 0.12 -1.06 -0.08 0.00 -1.00 0.00 0.00 55.97 53.96 2a5k s LYS 102 Cb 0.00 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2a5k s LYS 102 CO -0.01 -0.38 0.10 -0.06 0.10 0.00 0.00 175.35 175.09 2a5k s PHE 103 N -3.92 3.38 0.05 1.78 2.99 -1.26 -0.81 117.98 120.18 2a5k s PHE 103 Ca 0.12 0.28 0.03 0.00 0.00 0.00 0.00 56.93 57.36 2a5k s PHE 103 Cb 0.03 -2.04 -0.02 0.00 0.00 0.00 0.00 43.02 40.99 2a5k s PHE 103 CO -0.04 0.37 -0.09 0.14 -0.00 0.00 0.00 175.22 175.60 2a5k s VAL 104 N -0.09 0.62 -0.25 -0.44 -7.23 -0.67 -4.94 120.40 107.39 2a5k s VAL 104 Ca 0.09 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2a5k s VAL 104 Cb -0.12 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 2a5k s VAL 104 CO 0.01 -0.36 0.16 -0.60 -0.31 0.00 0.00 175.10 174.00 2a5k s ARG 105 N -1.60 4.04 0.61 4.82 3.52 -1.26 -4.22 118.95 124.86 2a5k s ARG 105 Ca -0.09 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 2a5k s ARG 105 Cb -0.10 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.81 2a5k s ARG 105 CO 0.01 0.01 0.84 0.96 -0.81 0.00 0.00 175.30 176.31 2a5k s ILE 106 N 1.19 2.38 0.23 4.11 -4.36 -1.26 -5.12 121.20 118.38 2a5k s ILE 106 Ca 0.07 -0.76 0.09 0.00 -0.26 0.00 0.00 60.65 59.80 2a5k s ILE 106 Cb -0.14 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 2a5k s ILE 106 CO 0.06 0.00 -0.02 -1.10 0.24 0.00 0.00 174.94 174.11 2a5k s GLN 107 N -4.83 2.26 0.34 0.37 -1.52 -1.26 -5.06 119.66 109.94 2a5k s GLN 107 Ca 0.61 -1.34 -0.27 0.00 -1.95 0.00 0.00 55.36 52.41 2a5k s GLN 107 Cb -0.07 -2.19 -0.13 0.00 -0.22 0.00 0.00 33.01 30.40 2a5k s GLN 107 CO 0.40 0.39 1.10 -2.30 -0.25 0.00 0.00 175.29 174.64 2a5k n PRO 108 N -0.58 1.61 0.00 2.91 -0.02 -1.26 -2.33 135.00 135.33 2a5k n PRO 108 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2a5k n PRO 108 Cb 0.58 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2a5k n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a5k n GLY 109 N 1.06 2.77 3.86 -1.23 0.00 0.32 -4.94 105.19 107.02 2a5k n GLY 109 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2a5k n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a5k s GLN 110 N -0.56 3.82 0.40 1.61 -0.21 -0.98 -4.72 119.66 119.01 2a5k s GLN 110 Ca 0.00 0.76 0.07 0.00 0.02 0.00 0.00 55.36 56.21 2a5k s GLN 110 Cb 0.00 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 2a5k s GLN 110 CO 0.00 -0.27 0.09 0.95 -2.12 0.00 0.00 175.29 173.94 2a5k s THR 111 N -2.68 2.24 -0.15 -0.19 -4.23 -1.26 0.14 115.64 109.52 2a5k s THR 111 Ca 0.56 -1.85 -0.34 0.00 -1.18 0.00 0.00 61.69 58.88 2a5k s THR 111 Cb -0.10 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.90 2a5k s THR 111 CO 0.37 -0.03 1.17 0.72 -0.54 0.00 0.00 174.62 176.30 2a5k s PHE 112 N -2.63 -0.15 0.13 3.99 -0.12 -0.53 -4.91 117.98 113.76 2a5k s PHE 112 Ca 0.38 0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 57.27 2a5k s PHE 112 Cb 0.05 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.91 2a5k s PHE 112 CO 0.20 -0.26 0.40 -1.12 -0.05 0.00 0.00 175.22 174.39 2a5k s SER 113 N -2.29 6.55 -0.11 1.98 0.01 0.22 -1.26 113.70 118.80 2a5k s SER 113 Ca 0.09 0.69 0.03 0.00 1.31 0.00 0.00 55.95 58.07 2a5k s SER 113 Cb -0.01 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.10 2a5k s SER 113 CO -0.05 0.09 -0.21 -0.69 0.41 0.00 0.00 173.24 172.79 2a5k s VAL 114 N -1.58 1.88 -0.48 3.43 1.01 0.22 -1.34 120.40 123.54 2a5k s VAL 114 Ca 0.39 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2a5k s VAL 114 Cb -0.13 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.66 2a5k s VAL 114 CO 0.22 0.52 0.53 -0.22 0.00 0.00 0.00 175.10 176.15 2a5k s LEU 115 N 0.66 5.14 -0.08 3.92 2.96 -0.94 -0.83 118.68 129.50 2a5k s LEU 115 Ca -0.12 -0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 52.53 2a5k s LEU 115 Cb -0.16 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 2a5k s LEU 115 CO 0.03 -0.78 0.86 0.00 -1.32 0.00 0.00 176.35 175.13 2a5k s ALA 116 N 2.28 3.35 0.11 5.97 0.00 0.86 -3.83 121.76 130.49 2a5k s ALA 116 Ca 0.12 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2a5k s ALA 116 Cb -0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2a5k s ALA 116 CO 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 175.76 175.39 2a5k s TYR 118 N -2.30 0.32 -1.36 0.00 2.02 -0.81 -3.86 117.35 111.38 2a5k s TYR 118 Ca 0.07 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2a5k s TYR 118 Cb -0.04 -0.46 -0.00 0.00 -0.40 0.00 0.00 41.96 41.06 2a5k s TYR 118 CO 0.01 -0.16 0.54 0.09 -1.57 0.00 0.00 175.55 174.47 2a5k n ASN 119 N 4.39 -0.76 -0.18 2.29 3.02 -1.26 -0.58 115.26 122.17 2a5k n ASN 119 Ca -0.22 -0.93 -0.02 0.00 -0.03 0.00 0.00 54.58 53.38 2a5k n ASN 119 Cb 0.50 -3.48 -0.01 0.00 -0.61 0.00 0.00 39.78 36.18 2a5k n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5k n GLY 120 N -1.81 0.23 3.36 7.41 0.00 -1.25 -4.65 105.19 108.49 2a5k n GLY 120 Ca -0.30 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2a5k n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5k s SER 121 N -2.09 5.65 0.16 1.61 0.01 0.25 -4.52 113.70 114.77 2a5k s SER 121 Ca 0.00 -0.98 -0.34 0.00 1.31 0.00 0.00 55.95 55.94 2a5k s SER 121 Cb 0.00 -2.00 -0.15 0.00 0.21 0.00 0.00 66.02 64.08 2a5k s SER 121 CO 0.00 -0.36 1.36 -2.65 0.41 0.00 0.00 173.24 172.00 2a5k n PRO 122 N 4.97 1.56 0.00 12.44 -0.02 -1.26 -1.92 135.00 150.77 2a5k n PRO 122 Ca -0.12 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2a5k n PRO 122 Cb 0.46 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2a5k n PRO 122 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2a5k n SER 123 N 2.53 2.65 -3.54 2.55 2.88 0.94 -4.93 113.62 116.70 2a5k n SER 123 Ca 0.16 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2a5k n SER 123 Cb 0.25 0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 2a5k n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2a5k s GLY 124 N -1.49 -0.37 -0.00 0.46 0.00 -1.03 -4.99 107.32 99.89 2a5k s GLY 124 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 44.72 46.19 2a5k s GLY 124 CO 0.00 0.55 -0.16 0.54 0.00 0.00 0.00 173.10 174.03 2a5k s VAL 125 N -2.46 1.26 0.28 1.40 0.11 -1.26 -0.10 120.40 119.62 2a5k s VAL 125 Ca 0.05 -0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 2a5k s VAL 125 Cb -0.01 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2a5k s VAL 125 CO -0.06 0.31 0.50 -0.72 -3.33 0.00 0.00 175.10 171.81 2a5k s TYR 126 N -0.44 0.48 -0.10 1.54 -0.85 -0.01 -4.96 117.35 113.02 2a5k s TYR 126 Ca 0.06 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.77 2a5k s TYR 126 Cb -0.06 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.44 2a5k s TYR 126 CO -0.00 -1.07 -0.11 -1.14 -1.52 0.00 0.00 175.55 171.71 2a5k s GLN 127 N -3.68 3.09 0.27 -3.49 2.00 -1.26 0.72 119.66 117.30 2a5k s GLN 127 Ca 0.23 -0.64 0.02 0.00 -2.00 0.00 0.00 55.36 52.98 2a5k s GLN 127 Cb -0.01 -2.60 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 2a5k s GLN 127 CO 0.11 0.41 0.16 0.00 -0.50 0.00 0.00 175.29 175.48 2a5k s ALA 129 N -3.80 1.71 -0.20 0.00 0.00 -1.26 -1.45 121.76 116.76 2a5k s ALA 129 Ca 0.38 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2a5k s ALA 129 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2a5k s ALA 129 CO 0.17 0.36 1.52 1.41 0.00 0.00 0.00 175.76 179.22 2a5k s MET 130 N -1.53 3.93 0.65 0.00 1.75 0.12 -4.43 119.30 119.80 2a5k s MET 130 Ca 0.06 1.68 -0.14 0.00 -1.25 0.00 0.00 55.69 56.04 2a5k s MET 130 Cb -0.09 -3.97 -0.01 0.00 2.84 0.00 0.00 34.83 33.60 2a5k s MET 130 CO 0.03 -1.12 1.07 1.03 -0.65 0.00 0.00 175.02 175.38 2a5k s ARG 131 N 4.33 3.04 0.55 4.11 1.81 -0.33 0.12 118.95 132.58 2a5k s ARG 131 Ca 0.67 1.16 0.28 0.00 -1.72 0.00 0.00 55.73 56.12 2a5k s ARG 131 Cb -0.24 -2.00 1.46 0.00 -0.45 0.00 0.00 34.95 33.72 2a5k s ARG 131 CO 0.26 -1.03 1.96 -1.35 -0.68 0.00 0.00 175.30 174.46 2a5k h PRO 132 N -0.07 0.00 -0.63 3.54 0.11 -1.88 0.17 132.00 133.23 2a5k h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a5k h PRO 132 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a5k h PRO 132 CO 0.56 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.62 2a5k n ASN 133 N -4.13 2.95 -0.03 -2.05 6.94 -1.26 -4.90 115.26 112.77 2a5k n ASN 133 Ca 0.10 -2.30 -0.00 0.00 -0.02 0.00 0.00 54.58 52.36 2a5k n ASN 133 Cb 0.67 -0.47 -0.00 0.00 -2.36 0.00 0.00 39.78 37.62 2a5k n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2a5k n HIS 134 N 0.45 0.00 -2.82 -2.53 8.25 0.59 -4.87 115.22 114.30 2a5k n HIS 134 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 2a5k n HIS 134 Cb 0.59 -0.65 0.04 0.00 1.12 0.00 0.00 29.99 31.08 2a5k n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2a5k s THR 135 N -1.73 2.67 0.07 1.59 -4.23 -1.26 -4.52 115.64 108.22 2a5k s THR 135 Ca 0.00 -0.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2a5k s THR 135 Cb 0.00 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2a5k s THR 135 CO 0.00 0.00 -0.19 0.27 -0.54 0.00 0.00 174.62 174.16 2a5k s ILE 136 N -2.64 1.53 -0.93 2.99 -4.36 -0.29 -1.19 121.20 116.31 2a5k s ILE 136 Ca 0.58 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 59.48 2a5k s ILE 136 Cb -0.09 -1.38 0.18 0.00 1.25 0.00 0.00 42.46 42.42 2a5k s ILE 136 CO 0.37 0.00 1.02 -0.54 0.24 0.00 0.00 174.94 176.04 2a5k s LYS 137 N -1.55 3.69 0.00 0.37 1.02 -1.26 -0.51 119.74 121.49 2a5k s LYS 137 Ca 0.05 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.85 2a5k s LYS 137 Cb -0.09 -4.73 0.00 0.00 -0.52 0.00 0.00 37.83 32.49 2a5k s LYS 137 CO 0.03 -1.56 0.00 0.41 -0.92 0.00 0.00 175.35 173.31 2a5k n GLY 138 N 4.63 2.55 2.64 -3.33 0.00 -1.26 -4.88 105.19 105.55 2a5k n GLY 138 Ca 0.21 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 2a5k n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5k s SER 139 N -0.85 1.87 -0.11 1.61 0.15 -1.26 -4.94 113.70 110.17 2a5k s SER 139 Ca 0.00 -0.35 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 2a5k s SER 139 Cb 0.00 -0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2a5k s SER 139 CO 0.00 -0.32 0.45 -0.36 1.20 0.00 0.00 173.24 174.21 2a5k s PHE 140 N 2.17 -0.43 0.48 3.44 2.99 -1.26 -4.98 117.98 120.38 2a5k s PHE 140 Ca 0.03 0.95 0.01 0.00 0.00 0.00 0.00 56.93 57.92 2a5k s PHE 140 Cb -0.15 0.18 0.01 0.00 0.00 0.00 0.00 43.02 43.06 2a5k s PHE 140 CO -0.07 -0.33 0.04 1.28 -0.00 0.00 0.00 175.22 176.14 2a5k n LEU 141 N 2.16 0.00 -4.70 -0.37 4.77 -1.26 -5.04 117.00 112.56 2a5k n LEU 141 Ca -0.16 -2.93 -0.42 0.00 -0.03 0.00 0.00 56.01 52.47 2a5k n LEU 141 Cb 0.57 0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 2a5k n LEU 141 CO 0.16 -0.44 1.33 0.21 -1.33 0.00 0.00 177.39 177.32 2a5k s ASN 142 N -3.65 6.54 0.00 -1.43 2.47 -1.26 -1.99 114.94 115.62 2a5k s ASN 142 Ca 0.03 2.62 0.00 0.00 0.42 0.00 0.00 52.86 55.94 2a5k s ASN 142 Cb -0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2a5k s ASN 142 CO 0.02 -0.90 0.00 0.61 -3.72 0.00 0.00 177.10 173.11 2a5k n GLY 143 N 3.97 0.81 0.24 1.21 0.00 -1.26 -4.97 105.19 105.18 2a5k n GLY 143 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 2a5k n GLY 143 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a5k h SER 144 N 0.00 0.00 -4.00 1.61 4.64 -1.51 -3.39 113.55 110.90 2a5k h SER 144 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2a5k h SER 144 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 2a5k h SER 144 CO 0.00 0.00 0.65 0.00 -0.87 0.00 0.00 176.83 176.61 2a5k n GLY 146 N 0.63 1.91 3.72 0.00 0.00 0.12 -2.37 105.19 109.19 2a5k n GLY 146 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2a5k n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5k s SER 147 N -1.99 4.15 0.11 1.61 0.01 -0.09 -4.54 113.70 112.96 2a5k s SER 147 Ca 0.00 2.47 0.10 0.00 1.31 0.00 0.00 55.95 59.83 2a5k s SER 147 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2a5k s SER 147 CO 0.00 -2.30 -0.24 0.68 0.41 0.00 0.00 173.24 171.79 2a5k s VAL 148 N -1.80 2.02 0.09 3.43 -7.23 -1.25 -0.29 120.40 115.38 2a5k s VAL 148 Ca 0.77 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 2a5k s VAL 148 Cb -0.32 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2a5k s VAL 148 CO 0.45 0.06 -0.00 -0.83 -0.31 0.00 0.00 175.10 174.47 2a5k s GLY 149 N -1.89 1.92 0.24 2.32 0.00 -0.04 -2.22 107.32 107.65 2a5k s GLY 149 Ca 0.11 -1.12 -0.19 0.00 0.00 0.00 0.00 44.72 43.52 2a5k s GLY 149 CO 0.05 -1.10 0.60 -0.11 0.00 0.00 0.00 173.10 172.55 2a5k s PHE 150 N -1.31 -0.11 0.16 1.90 -0.12 -0.45 -1.21 117.98 116.84 2a5k s PHE 150 Ca 0.26 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.94 2a5k s PHE 150 Cb -0.12 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2a5k s PHE 150 CO 0.18 -1.06 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.34 2a5k s ASN 151 N -2.90 2.39 -0.09 1.98 0.01 -0.30 -0.61 114.94 115.41 2a5k s ASN 151 Ca 0.11 -0.88 0.01 0.00 -0.71 0.00 0.00 52.86 51.39 2a5k s ASN 151 Cb -0.03 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.49 2a5k s ASN 151 CO 0.02 -0.11 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.75 2a5k s ILE 152 N -2.33 3.19 -0.30 0.60 1.01 -1.26 -0.25 121.20 121.86 2a5k s ILE 152 Ca 0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2a5k s ILE 152 Cb -0.04 -2.31 0.10 0.00 0.01 0.00 0.00 42.46 40.22 2a5k s ILE 152 CO 0.05 0.56 0.08 -1.81 0.00 0.00 0.00 174.94 173.82 2a5k s ASP 153 N -0.19 4.05 1.54 3.58 1.01 0.29 -4.97 116.67 121.98 2a5k s ASP 153 Ca 0.01 -1.63 0.00 0.00 0.71 0.00 0.00 52.55 51.64 2a5k s ASP 153 Cb -0.13 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 42.84 2a5k s ASP 153 CO 0.03 -0.40 0.00 -1.22 0.21 0.00 0.00 175.17 173.80 2a5k n TYR 154 N 4.78 0.00 -0.12 4.23 4.01 -1.26 -0.48 117.16 128.32 2a5k n TYR 154 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 2a5k n TYR 154 Cb 0.42 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.66 2a5k n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2a5k n ASP 155 N 10.74 3.25 -4.02 7.72 5.75 -1.26 -4.98 116.55 133.75 2a5k n ASP 155 Ca 0.00 -1.95 -0.23 0.00 -0.01 0.00 0.00 54.79 52.59 2a5k n ASP 155 Cb 0.00 -0.30 -0.16 0.00 -1.03 0.00 0.00 41.12 39.63 2a5k n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5k s VAL 157 N 0.52 5.01 -0.41 0.00 1.01 -0.05 -0.54 120.40 125.93 2a5k s VAL 157 Ca -0.11 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 2a5k s VAL 157 Cb -0.14 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2a5k s VAL 157 CO 0.02 -0.15 0.64 -0.44 0.00 0.00 0.00 175.10 175.18 2a5k s SER 158 N 1.71 6.35 -0.08 3.32 0.01 0.66 -1.33 113.70 124.34 2a5k s SER 158 Ca 0.20 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.00 2a5k s SER 158 Cb -0.15 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2a5k s SER 158 CO 0.12 -0.73 0.90 -0.36 0.41 0.00 0.00 173.24 173.59 2a5k s PHE 159 N 2.80 3.55 0.00 2.43 0.08 0.01 -1.14 117.98 125.70 2a5k s PHE 159 Ca 0.23 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.77 2a5k s PHE 159 Cb -0.14 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2a5k s PHE 159 CO 0.18 -0.11 0.05 0.00 -0.10 0.00 0.00 175.22 175.24 2a5k s TYR 161 N -0.48 -0.32 -0.03 0.00 5.04 -0.94 -4.29 117.35 116.32 2a5k s TYR 161 Ca 0.00 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 2a5k s TYR 161 Cb 0.00 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.47 2a5k s TYR 161 CO 0.00 -0.30 -0.01 1.41 -1.34 0.00 0.00 175.55 175.31 2a5k s MET 162 N -0.52 0.41 0.24 4.97 -2.45 0.27 -0.86 119.30 121.36 2a5k s MET 162 Ca -0.06 0.02 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 2a5k s MET 162 Cb -0.04 -0.54 -0.09 0.00 1.25 0.00 0.00 34.83 35.41 2a5k s MET 162 CO 0.03 -0.11 0.96 -1.58 1.05 0.00 0.00 175.02 175.37 2a5k s HIS 163 N 0.91 3.93 0.00 4.11 2.46 0.61 -1.10 115.29 126.20 2a5k s HIS 163 Ca -0.10 1.89 0.00 0.00 0.47 0.00 0.00 55.06 57.32 2a5k s HIS 163 Cb -0.13 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.29 2a5k s HIS 163 CO -0.01 0.31 0.00 0.72 -2.47 0.00 0.00 174.74 173.29 2a5k n HIS 164 N 1.49 0.00 -3.99 3.88 8.25 -1.04 -0.71 115.22 123.10 2a5k n HIS 164 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2a5k n HIS 164 Cb 0.47 0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.62 2a5k n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2a5k s MET 165 N -1.80 0.61 -0.19 -0.41 -1.94 -0.20 -4.87 119.30 110.51 2a5k s MET 165 Ca 0.00 -0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 52.98 2a5k s MET 165 Cb 0.00 0.23 -0.01 0.00 2.01 0.00 0.00 34.83 37.06 2a5k s MET 165 CO 0.00 -0.14 -0.08 -2.00 -0.01 0.00 0.00 175.02 172.78 2a5k s GLU 166 N -3.26 3.35 0.74 2.03 2.12 -1.26 -0.92 118.70 121.50 2a5k s GLU 166 Ca 0.01 -0.66 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 2a5k s GLU 166 Cb 0.03 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.61 2a5k s GLU 166 CO -0.08 -0.07 1.12 -0.51 -0.54 0.00 0.00 175.26 175.19 2a5k s LEU 167 N 1.10 2.75 0.17 2.70 1.43 0.37 -4.96 118.68 122.24 2a5k s LEU 167 Ca 0.01 1.02 0.26 0.00 -1.03 0.00 0.00 54.13 54.39 2a5k s LEU 167 Cb -0.15 -3.71 0.81 0.00 0.03 0.00 0.00 46.19 43.18 2a5k s LEU 167 CO -0.02 -1.55 1.74 -0.81 0.23 0.00 0.00 176.35 175.94 2a5k n PRO 168 N -3.13 0.22 0.00 1.29 -0.04 -1.26 -0.95 135.00 131.13 2a5k n PRO 168 Ca 0.07 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2a5k n PRO 168 Cb 0.58 -1.74 0.33 0.00 -0.04 0.00 0.00 33.50 32.63 2a5k n PRO 168 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2a5k n THR 169 N -2.12 0.00 0.00 0.52 -2.24 -1.26 -4.90 114.28 104.27 2a5k n THR 169 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2a5k n THR 169 Cb 0.42 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2a5k n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5k n GLY 170 N 0.38 1.80 3.95 3.38 0.00 -0.13 -5.06 105.19 109.50 2a5k n GLY 170 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2a5k n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a5k s VAL 171 N -2.51 2.07 0.09 1.61 -7.23 -1.26 -4.71 120.40 108.46 2a5k s VAL 171 Ca 0.00 -0.22 0.06 0.00 -1.81 0.00 0.00 61.98 60.01 2a5k s VAL 171 Cb 0.00 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2a5k s VAL 171 CO 0.00 0.00 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.64 2a5k s HIS 172 N -3.58 1.34 0.04 2.82 0.09 0.33 -0.48 115.29 115.86 2a5k s HIS 172 Ca 0.70 -0.48 0.04 0.00 -0.00 0.00 0.00 55.06 55.32 2a5k s HIS 172 Cb -0.05 -0.74 -0.02 0.00 -0.00 0.00 0.00 32.58 31.77 2a5k s HIS 172 CO 0.49 0.10 -0.12 0.00 -0.00 0.00 0.00 174.74 175.21 2a5k s ALA 173 N -1.45 1.03 0.00 -1.40 0.00 -0.10 -1.14 121.76 118.70 2a5k s ALA 173 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2a5k s ALA 173 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2a5k s ALA 173 CO 0.03 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2a5k n GLY 174 N 1.92 2.73 3.42 0.00 0.00 -1.26 -1.03 105.19 110.97 2a5k n GLY 174 Ca -0.18 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2a5k n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5k s THR 175 N -2.97 1.12 1.02 2.61 -4.23 -0.26 -1.25 115.64 111.67 2a5k s THR 175 Ca 0.00 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 2a5k s THR 175 Cb 0.00 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 71.35 2a5k s THR 175 CO 0.00 -0.03 1.15 -0.90 -0.54 0.00 0.00 174.62 174.29 2a5k n ASP 176 N -0.64 -0.83 -0.56 3.99 5.68 -0.48 -0.57 116.55 123.15 2a5k n ASP 176 Ca -0.02 -1.31 0.04 0.00 -0.50 0.00 0.00 54.79 53.00 2a5k n ASP 176 Cb 0.66 -0.95 0.11 0.00 -1.14 0.00 0.00 41.12 39.81 2a5k n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2a5k n LEU 177 N 0.00 1.58 -0.69 -2.12 7.99 -1.26 -1.73 117.00 120.77 2a5k n LEU 177 Ca 0.15 -0.79 0.09 0.00 -0.01 0.00 0.00 56.01 55.45 2a5k n LEU 177 Cb 0.54 -0.24 0.07 0.00 -0.11 0.00 0.00 43.42 43.68 2a5k n LEU 177 CO 0.39 0.34 0.50 -0.62 -1.51 0.00 0.00 177.39 176.49 2a5k n GLU 178 N 0.22 1.57 -0.62 3.23 1.02 -1.26 -4.98 120.64 119.81 2a5k n GLU 178 Ca 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 2a5k n GLU 178 Cb 0.28 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2a5k n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a5k n GLY 179 N 1.06 0.70 3.67 0.62 0.00 -0.70 -4.19 105.19 106.35 2a5k n GLY 179 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2a5k n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5k s LYS 180 N -0.38 4.29 0.39 1.61 1.02 -1.26 -1.44 119.74 123.98 2a5k s LYS 180 Ca 0.00 0.93 -0.26 0.00 0.02 0.00 0.00 55.97 56.66 2a5k s LYS 180 Cb 0.00 -3.57 -0.11 0.00 -0.52 0.00 0.00 37.83 33.63 2a5k s LYS 180 CO 0.00 -0.29 1.18 1.19 -0.92 0.00 0.00 175.35 176.51 2a5k n PHE 181 N 5.10 1.82 -2.84 3.18 3.01 -1.26 -1.38 117.46 125.09 2a5k n PHE 181 Ca 0.03 0.54 -0.41 0.00 1.01 0.00 0.00 57.45 58.62 2a5k n PHE 181 Cb 0.49 -2.33 -0.04 0.00 -0.01 0.00 0.00 39.48 37.59 2a5k n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2a5k s TYR 182 N -1.19 3.59 0.00 1.38 2.02 -0.38 -4.84 117.35 117.94 2a5k s TYR 182 Ca 0.60 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.80 2a5k s TYR 182 Cb -0.55 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.00 2a5k s TYR 182 CO 0.59 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2a5k n GLY 183 N 3.04 -0.53 1.41 0.71 0.00 -1.26 -4.43 105.19 104.12 2a5k n GLY 183 Ca 0.04 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 2a5k n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a5k n PRO 184 N -0.56 1.22 -4.01 1.61 -0.04 -1.26 -4.92 135.00 127.04 2a5k n PRO 184 Ca 0.00 -0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 2a5k n PRO 184 Cb 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2a5k n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a5k s PHE 185 N -0.53 3.36 0.07 0.54 0.08 -1.26 -4.93 117.98 115.30 2a5k s PHE 185 Ca 0.09 -0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.14 2a5k s PHE 185 Cb 0.07 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2a5k s PHE 185 CO 0.01 0.46 -0.11 0.14 -0.10 0.00 0.00 175.22 175.62 2a5k s VAL 186 N -2.02 0.90 -1.48 -0.44 -7.23 -1.26 -4.81 120.40 104.07 2a5k s VAL 186 Ca 0.34 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.07 2a5k s VAL 186 Cb -0.09 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 35.85 2a5k s VAL 186 CO 0.28 -0.37 2.52 -0.90 -0.31 0.00 0.00 175.10 176.32 2a5k n ASP 187 N 1.12 6.97 -4.06 4.85 5.75 -1.26 -4.83 116.55 125.08 2a5k n ASP 187 Ca -0.20 -2.83 -0.08 0.00 -0.01 0.00 0.00 54.79 51.66 2a5k n ASP 187 Cb 0.55 -1.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.01 2a5k n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5k s ARG 188 N 1.45 0.54 -1.00 0.11 1.70 -1.26 -4.86 118.95 115.61 2a5k s ARG 188 Ca 0.57 -1.01 -0.15 0.00 -0.47 0.00 0.00 55.73 54.67 2a5k s ARG 188 Cb 0.16 0.10 0.18 0.00 -0.57 0.00 0.00 34.95 34.82 2a5k s ARG 188 CO -0.07 -0.07 1.12 -1.14 -1.08 0.00 0.00 175.30 174.06 2a5k s GLN 189 N -2.99 3.82 0.12 3.89 0.74 0.19 -4.91 119.66 120.52 2a5k s GLN 189 Ca -0.01 -2.35 -0.14 0.00 0.05 0.00 0.00 55.36 52.91 2a5k s GLN 189 Cb 0.01 -4.79 0.02 0.00 1.10 0.00 0.00 33.01 29.35 2a5k s GLN 189 CO -0.06 -1.58 0.35 -0.08 -0.55 0.00 0.00 175.29 173.37 2a5k s THR 190 N 1.24 0.09 0.26 -0.34 -1.32 -1.26 -4.54 115.64 109.77 2a5k s THR 190 Ca 0.32 -0.74 -0.29 0.00 -1.21 0.00 0.00 61.69 59.76 2a5k s THR 190 Cb -0.06 -1.23 -0.09 0.00 -1.51 0.00 0.00 72.50 69.61 2a5k s THR 190 CO -0.07 -0.40 1.20 0.00 -2.21 0.00 0.00 174.62 173.15 2a5k s ALA 191 N -3.82 3.45 0.02 11.08 0.00 -1.26 -5.02 121.76 126.21 2a5k s ALA 191 Ca 0.04 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.08 2a5k s ALA 191 Cb 0.03 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2a5k s ALA 191 CO -0.11 -0.38 -0.16 -0.65 0.00 0.00 0.00 175.76 174.46 2a5k s GLN 192 N -1.11 1.14 0.00 0.00 -0.21 -1.26 -5.11 119.66 113.11 2a5k s GLN 192 Ca 0.49 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.88 2a5k s GLN 192 Cb -0.35 -1.14 -0.05 0.00 1.00 0.00 0.00 33.01 32.47 2a5k s GLN 192 CO 0.43 0.30 1.30 0.00 -2.12 0.00 0.00 175.29 175.20 2a5k s ALA 193 N -0.61 3.52 -0.17 6.09 0.00 -1.26 -4.95 121.76 124.38 2a5k s ALA 193 Ca 0.04 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2a5k s ALA 193 Cb -0.07 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 2a5k s ALA 193 CO 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 175.76 174.69 2a5k n ALA 194 N 4.94 1.05 0.00 0.00 0.00 -1.26 -4.90 120.51 120.34 2a5k n ALA 194 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2a5k n ALA 194 Cb 0.45 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2a5k n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5k n GLY 195 N 1.59 2.16 3.64 0.00 0.00 -1.26 -4.96 105.19 106.35 2a5k n GLY 195 Ca -0.16 -1.22 -0.52 0.00 0.00 0.00 0.00 46.02 44.12 2a5k n GLY 195 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a5k n THR 196 N 2.00 0.12 -1.66 2.61 -1.04 -1.26 -4.83 114.28 110.23 2a5k n THR 196 Ca 0.00 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 2a5k n THR 196 Cb 0.00 -1.10 0.05 0.00 -1.82 0.00 0.00 70.33 67.46 2a5k n THR 196 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a5k s ASP 197 N 1.57 5.40 0.15 8.00 3.68 -1.26 -4.71 116.67 129.50 2a5k s ASP 197 Ca 0.88 1.48 0.02 0.00 2.13 0.00 0.00 52.55 57.05 2a5k s ASP 197 Cb -0.93 -2.36 -0.04 0.00 -1.45 0.00 0.00 42.92 38.14 2a5k s ASP 197 CO 0.51 -1.41 -0.01 0.42 0.13 0.00 0.00 175.17 174.80 2a5k s THR 198 N -3.12 0.64 0.22 1.71 -4.23 -1.26 -5.04 115.64 104.55 2a5k s THR 198 Ca 0.58 -1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 2a5k s THR 198 Cb -0.13 -2.00 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 2a5k s THR 198 CO 0.54 -0.57 1.00 -0.89 -0.54 0.00 0.00 174.62 174.16 2a5k s THR 199 N -3.68 4.00 -0.99 3.99 2.01 -0.43 -4.63 115.64 115.91 2a5k s THR 199 Ca 0.21 1.90 -0.22 0.00 0.31 0.00 0.00 61.69 63.89 2a5k s THR 199 Cb 0.06 -4.21 0.06 0.00 0.01 0.00 0.00 72.50 68.42 2a5k s THR 199 CO 0.02 0.41 1.38 -0.63 -0.69 0.00 0.00 174.62 175.11 2a5k s ILE 200 N -0.84 4.06 0.26 1.82 1.01 -1.26 -1.12 121.20 125.13 2a5k s ILE 200 Ca 0.44 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2a5k s ILE 200 Cb -0.27 -5.00 0.25 0.00 0.01 0.00 0.00 42.46 37.44 2a5k s ILE 200 CO 0.34 -1.86 1.84 0.74 0.00 0.00 0.00 174.94 176.00 2a5k h THR 201 N 6.60 0.98 -0.74 2.92 2.02 -1.93 -0.69 112.91 122.06 2a5k h THR 201 Ca 0.17 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2a5k h THR 201 Cb 1.01 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2a5k h THR 201 CO 1.37 0.18 0.45 0.25 0.37 0.00 0.00 175.52 178.13 2a5k h LEU 202 N 0.98 0.89 -0.21 2.58 5.85 -1.91 -1.91 115.31 121.59 2a5k h LEU 202 Ca 0.43 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.89 2a5k h LEU 202 Cb 0.32 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.13 2a5k h LEU 202 CO -0.22 0.68 -0.78 0.78 -0.34 0.00 0.00 178.44 178.56 2a5k h ASN 203 N 1.02 0.85 -0.62 1.25 4.21 -1.38 -1.63 115.58 119.28 2a5k h ASN 203 Ca 0.27 -0.56 0.01 0.00 1.21 0.00 0.00 56.30 57.23 2a5k h ASN 203 Cb -0.04 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 36.87 2a5k h ASN 203 CO -0.05 1.35 0.41 0.58 -1.29 0.00 0.00 177.43 178.42 2a5k h VAL 204 N 0.48 1.16 -0.41 2.81 2.07 -0.92 -0.78 116.25 120.65 2a5k h VAL 204 Ca -0.05 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2a5k h VAL 204 Cb 1.39 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2a5k h VAL 204 CO 0.15 0.16 0.18 -0.07 0.02 0.00 0.00 177.57 178.01 2a5k h LEU 205 N 0.84 0.56 -0.70 2.57 3.38 -1.32 -0.59 115.31 120.06 2a5k h LEU 205 Ca 0.23 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2a5k h LEU 205 Cb -0.09 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 2a5k h LEU 205 CO -0.05 0.56 0.25 0.00 0.09 0.00 0.00 178.44 179.29 2a5k h ALA 206 N 1.02 0.94 -0.35 1.53 0.00 -0.85 -1.19 119.26 120.35 2a5k h ALA 206 Ca 0.14 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2a5k h ALA 206 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2a5k h ALA 206 CO -0.01 -0.22 -0.29 2.35 0.00 0.00 0.00 179.25 181.08 2a5k h TRP 207 N 0.41 0.87 -0.71 0.00 7.01 -0.76 0.32 115.95 123.10 2a5k h TRP 207 Ca 0.37 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2a5k h TRP 207 Cb 0.54 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2a5k h TRP 207 CO -0.18 0.96 0.46 -0.07 -2.79 0.00 0.00 178.44 176.82 2a5k h LEU 208 N 0.64 0.82 -0.81 0.65 3.38 -0.72 0.37 115.31 119.65 2a5k h LEU 208 Ca 0.08 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2a5k h LEU 208 Cb 0.82 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2a5k h LEU 208 CO 0.07 0.61 0.52 1.88 0.09 0.00 0.00 178.44 181.60 2a5k h TYR 209 N 0.96 0.96 -0.84 1.13 0.05 -0.68 -1.59 116.97 116.96 2a5k h TYR 209 Ca 0.26 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.04 2a5k h TYR 209 Cb -0.09 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.29 2a5k h TYR 209 CO -0.02 0.54 0.41 0.00 -1.05 0.00 0.00 178.16 178.04 2a5k h ALA 210 N 1.35 1.15 -0.94 3.88 0.00 -0.09 -0.85 119.26 123.76 2a5k h ALA 210 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2a5k h ALA 210 Cb 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 2a5k h ALA 210 CO -0.13 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.38 2a5k h ALA 211 N 1.27 1.29 -0.37 0.00 0.00 -0.49 0.02 119.26 120.98 2a5k h ALA 211 Ca 0.29 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2a5k h ALA 211 Cb 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2a5k h ALA 211 CO -0.04 0.64 -0.22 0.28 0.00 0.00 0.00 179.25 179.91 2a5k h VAL 212 N 1.29 1.28 -0.58 0.00 2.07 -0.53 0.21 116.25 119.99 2a5k h VAL 212 Ca 0.34 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2a5k h VAL 212 Cb -0.12 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2a5k h VAL 212 CO -0.07 0.45 0.14 0.40 0.02 0.00 0.00 177.57 178.51 2a5k h ILE 213 N 0.59 1.24 -0.21 4.57 2.04 -0.46 -1.80 117.51 123.48 2a5k h ILE 213 Ca 0.08 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2a5k h ILE 213 Cb 0.78 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2a5k h ILE 213 CO 0.06 0.32 0.00 0.59 0.00 0.00 0.00 178.15 179.12 2a5k n ASN 214 N -4.26 1.23 0.00 1.72 3.02 -0.07 -4.92 115.26 111.98 2a5k n ASN 214 Ca 0.04 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2a5k n ASN 214 Cb 0.24 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2a5k n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5k n GLY 215 N 0.78 0.36 3.53 7.41 0.00 -0.57 -3.39 105.19 113.31 2a5k n GLY 215 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2a5k n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a5k s ASP 216 N -2.19 6.35 0.00 1.61 1.01 0.62 -4.88 116.67 119.18 2a5k s ASP 216 Ca 0.00 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2a5k s ASP 216 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2a5k s ASP 216 CO 0.00 -0.76 0.68 0.54 0.21 0.00 0.00 175.17 175.85 2a5k n ARG 217 N 6.26 1.25 0.24 8.23 1.74 -1.26 -3.25 116.66 129.86 2a5k n ARG 217 Ca -0.01 -0.92 0.16 0.00 -0.77 0.00 0.00 57.85 56.31 2a5k n ARG 217 Cb 0.48 -0.80 0.66 0.00 -1.02 0.00 0.00 32.46 31.78 2a5k n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2a5k h TRP 218 N 0.00 0.00 -0.00 -1.55 5.08 -1.96 -1.19 115.95 116.32 2a5k h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2a5k h TRP 218 Cb 0.59 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.75 2a5k h TRP 218 CO 0.00 0.00 -0.43 1.97 -1.28 0.00 0.00 178.44 178.70 2a5k n PHE 219 N -2.86 0.00 -1.63 0.12 1.16 -1.26 -4.91 117.46 108.08 2a5k n PHE 219 Ca 0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.26 2a5k n PHE 219 Cb 0.27 -0.15 0.06 0.00 -1.61 0.00 0.00 39.48 38.06 2a5k n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2a5k s LEU 220 N -2.72 3.32 0.25 5.98 1.43 -0.45 -4.77 118.68 121.72 2a5k s LEU 220 Ca 0.18 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.25 2a5k s LEU 220 Cb 0.18 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 2a5k s LEU 220 CO 0.62 -1.80 0.33 0.54 0.23 0.00 0.00 176.35 176.27 2a5k s ASN 221 N -2.62 0.24 -0.24 2.29 2.20 -1.26 -5.05 114.94 110.50 2a5k s ASN 221 Ca 0.67 -1.24 0.14 0.00 -0.94 0.00 0.00 52.86 51.49 2a5k s ASN 221 Cb -0.21 0.51 0.62 0.00 -2.00 0.00 0.00 41.25 40.17 2a5k s ASN 221 CO 0.44 -1.04 1.57 -2.11 -2.94 0.00 0.00 177.10 173.02 2a5k n ARG 222 N -0.38 3.24 -1.99 3.55 -4.01 -1.26 -4.95 116.66 110.86 2a5k n ARG 222 Ca 0.01 -3.00 -0.29 0.00 -1.04 0.00 0.00 57.85 53.53 2a5k n ARG 222 Cb 0.63 -1.99 0.07 0.00 -3.04 0.00 0.00 32.46 28.13 2a5k n ARG 222 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 2a5k s PHE 223 N -2.92 3.08 0.30 2.89 2.99 -1.26 -5.12 117.98 117.93 2a5k s PHE 223 Ca 0.47 0.77 0.05 0.00 0.00 0.00 0.00 56.93 58.23 2a5k s PHE 223 Cb 0.39 -3.26 -0.03 0.00 0.00 0.00 0.00 43.02 40.11 2a5k s PHE 223 CO 0.10 -1.47 0.23 -0.08 -0.00 0.00 0.00 175.22 174.00 2a5k s THR 224 N -3.41 0.04 0.19 0.64 -1.32 -1.26 -4.67 115.64 105.85 2a5k s THR 224 Ca 0.60 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.99 2a5k s THR 224 Cb -0.11 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.37 2a5k s THR 224 CO 0.49 0.00 0.31 0.28 -2.21 0.00 0.00 174.62 173.48 2a5k s THR 225 N -3.62 0.04 0.45 5.08 -1.32 -1.25 -4.90 115.64 110.13 2a5k s THR 225 Ca 0.40 -1.51 -0.14 0.00 -1.21 0.00 0.00 61.69 59.23 2a5k s THR 225 Cb 0.04 -2.06 -0.08 0.00 -1.51 0.00 0.00 72.50 68.89 2a5k s THR 225 CO 0.23 -0.17 0.88 -0.89 -2.21 0.00 0.00 174.62 172.47 2a5k s THR 226 N -4.02 4.63 0.24 5.08 2.01 -1.26 -4.84 115.64 117.48 2a5k s THR 226 Ca 0.22 0.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.17 2a5k s THR 226 Cb 0.03 -3.71 0.21 0.00 0.01 0.00 0.00 72.50 69.04 2a5k s THR 226 CO 0.05 -0.56 1.81 0.25 -0.69 0.00 0.00 174.62 175.47 2a5k h LEU 227 N 1.21 0.66 -0.11 4.42 6.46 -1.97 -1.10 115.31 124.88 2a5k h LEU 227 Ca -0.47 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.27 2a5k h LEU 227 Cb 1.18 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2a5k h LEU 227 CO 0.63 0.38 -0.18 -1.13 -0.62 0.00 0.00 178.44 177.51 2a5k h ASN 228 N 0.78 0.35 0.04 1.25 -0.00 -1.94 -1.69 115.58 114.38 2a5k h ASN 228 Ca 0.39 -0.54 -0.01 0.00 -0.00 0.00 0.00 56.30 56.15 2a5k h ASN 228 Cb 0.36 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.58 2a5k h ASN 228 CO -0.25 0.82 -0.03 0.44 -0.00 0.00 0.00 177.43 178.42 2a5k h ASP 229 N -0.11 0.00 -0.11 1.15 3.45 -1.91 -1.19 116.42 117.70 2a5k h ASP 229 Ca 0.01 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 2a5k h ASP 229 Cb 0.75 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.53 2a5k h ASP 229 CO 0.04 0.03 -0.61 0.15 -1.57 0.00 0.00 179.24 177.28 2a5k h PHE 230 N 0.00 0.82 0.00 4.55 3.57 -0.92 -3.21 116.94 121.75 2a5k h PHE 230 Ca -0.00 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.06 2a5k h PHE 230 Cb 0.06 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2a5k h PHE 230 CO 0.00 1.17 -0.33 -0.91 -2.23 0.00 0.00 178.31 176.01 2a5k h ASN 231 N 0.24 0.00 -0.45 0.41 2.35 -0.49 0.21 115.58 117.86 2a5k h ASN 231 Ca -0.05 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2a5k h ASN 231 Cb 1.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.59 2a5k h ASN 231 CO 0.13 0.33 0.24 -0.07 -1.65 0.00 0.00 177.43 176.41 2a5k h LEU 232 N 0.00 0.36 0.01 1.61 3.38 -1.25 -1.64 115.31 117.78 2a5k h LEU 232 Ca -0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2a5k h LEU 232 Cb 0.77 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.48 2a5k h LEU 232 CO 0.04 0.26 -0.42 0.58 0.09 0.00 0.00 178.44 178.99 2a5k h VAL 233 N 0.48 1.51 -0.59 1.22 2.07 -1.44 -3.26 116.25 116.23 2a5k h VAL 233 Ca 0.19 -2.07 0.02 0.00 0.82 0.00 0.00 66.70 65.66 2a5k h VAL 233 Cb 0.07 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 2a5k h VAL 233 CO -0.12 0.58 0.37 0.00 0.02 0.00 0.00 177.57 178.42 2a5k h ALA 234 N 0.25 0.76 -0.31 1.67 0.00 -0.90 -2.46 119.26 118.26 2a5k h ALA 234 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2a5k h ALA 234 Cb 1.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2a5k h ALA 234 CO 0.08 0.11 0.09 0.52 0.00 0.00 0.00 179.25 180.05 2a5k h MET 235 N 0.73 0.45 -0.79 0.00 2.86 -1.40 0.10 114.93 116.88 2a5k h MET 235 Ca 0.23 -0.06 0.23 0.00 -2.06 0.00 0.00 59.70 58.04 2a5k h MET 235 Cb 0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2a5k h MET 235 CO -0.09 0.41 0.57 -0.22 1.06 0.00 0.00 176.91 178.63 2a5k h LYS 236 N 0.45 0.00 -0.39 1.72 3.64 -1.48 -2.57 116.57 117.94 2a5k h LYS 236 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2a5k h LYS 236 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2a5k h LYS 236 CO -0.01 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.83 2a5k n TYR 237 N -4.29 0.66 -1.96 1.91 4.02 0.31 -4.95 117.16 112.86 2a5k n TYR 237 Ca 0.16 -0.57 -0.09 0.00 -0.01 0.00 0.00 57.90 57.40 2a5k n TYR 237 Cb 0.86 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 40.08 2a5k n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2a5k n ASN 238 N 0.50 -3.28 -4.86 7.72 5.15 -0.97 -4.89 115.26 114.63 2a5k n ASN 238 Ca 0.15 0.04 -0.32 0.00 -0.60 0.00 0.00 54.58 53.85 2a5k n ASN 238 Cb 0.55 -2.35 -0.06 0.00 -0.53 0.00 0.00 39.78 37.40 2a5k n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2a5k s TYR 239 N -2.41 3.41 0.48 1.20 1.51 -0.86 -1.31 117.35 119.36 2a5k s TYR 239 Ca 0.00 1.03 -0.24 0.00 -1.01 0.00 0.00 57.07 56.84 2a5k s TYR 239 Cb 0.00 -2.38 -0.07 0.00 -0.11 0.00 0.00 41.96 39.40 2a5k s TYR 239 CO 0.00 0.20 1.39 -1.21 -1.11 0.00 0.00 175.55 174.82 2a5k s GLU 240 N -2.87 3.55 0.30 -0.62 2.02 -0.27 -4.28 118.70 116.53 2a5k s GLU 240 Ca 0.50 2.32 -0.29 0.00 0.02 0.00 0.00 54.97 57.52 2a5k s GLU 240 Cb -0.11 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 2a5k s GLU 240 CO 0.19 -0.90 1.43 -2.14 0.02 0.00 0.00 175.26 173.87 2a5k s PRO 241 N -2.58 4.25 -0.39 0.39 0.02 -1.26 -4.58 135.00 130.85 2a5k s PRO 241 Ca 0.64 2.36 -0.24 0.00 0.02 0.00 0.00 61.00 63.78 2a5k s PRO 241 Cb -0.42 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.05 2a5k s PRO 241 CO 0.53 -0.40 0.83 -1.17 -0.33 0.00 0.00 177.00 176.46 2a5k s LEU 242 N -1.11 4.10 0.34 -5.54 2.96 -1.26 -4.98 118.68 113.20 2a5k s LEU 242 Ca 0.56 0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.61 2a5k s LEU 242 Cb -0.43 -3.09 -0.09 0.00 0.50 0.00 0.00 46.19 43.08 2a5k s LEU 242 CO 0.50 -0.83 0.76 0.42 -1.32 0.00 0.00 176.35 175.88 2a5k s THR 243 N 3.31 4.66 0.40 3.68 -4.23 -1.26 -4.97 115.64 117.23 2a5k s THR 243 Ca 0.33 0.96 0.21 0.00 -1.18 0.00 0.00 61.69 62.02 2a5k s THR 243 Cb -0.12 -3.62 0.41 0.00 1.34 0.00 0.00 72.50 70.50 2a5k s THR 243 CO 0.20 -0.24 1.70 -0.61 -0.54 0.00 0.00 174.62 175.12 2a5k h GLN 244 N 2.10 0.27 0.00 3.99 5.75 -1.98 0.71 115.11 125.95 2a5k h GLN 244 Ca -0.48 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 2a5k h GLN 244 Cb 1.18 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 2a5k h GLN 244 CO 0.65 0.18 -0.05 -0.44 -2.65 0.00 0.00 178.83 176.52 2a5k h ASP 245 N 0.28 0.00 0.20 -0.69 3.45 -2.00 -0.76 116.42 116.90 2a5k h ASP 245 Ca 0.70 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.90 2a5k h ASP 245 Cb 1.90 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 40.70 2a5k h ASP 245 CO -0.40 0.05 -1.14 0.45 -1.57 0.00 0.00 179.24 176.62 2a5k h HIS 246 N 0.00 0.78 -0.58 4.55 3.86 0.04 -2.79 115.15 121.01 2a5k h HIS 246 Ca -0.00 -0.56 0.13 0.00 -1.16 0.00 0.00 60.37 58.77 2a5k h HIS 246 Cb 0.22 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2a5k h HIS 246 CO 0.00 1.44 0.40 0.28 0.86 0.00 0.00 177.93 180.90 2a5k h VAL 247 N -0.10 0.82 0.09 2.45 2.07 -0.77 -2.45 116.25 118.36 2a5k h VAL 247 Ca -0.20 -0.08 -0.29 0.00 0.82 0.00 0.00 66.70 66.95 2a5k h VAL 247 Cb 1.90 0.56 0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2a5k h VAL 247 CO 0.22 0.04 -1.20 0.44 0.02 0.00 0.00 177.57 177.09 2a5k h ASP 248 N 0.23 0.89 -0.04 0.57 3.32 -1.11 -2.98 116.42 117.31 2a5k h ASP 248 Ca 0.27 -0.80 0.01 0.00 0.02 0.00 0.00 57.03 56.53 2a5k h ASP 248 Cb 0.76 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2a5k h ASP 248 CO -0.05 1.60 0.05 0.40 -1.72 0.00 0.00 179.24 179.52 2a5k h ILE 249 N 0.30 0.47 -0.25 0.35 2.04 -1.17 -1.29 117.51 117.96 2a5k h ILE 249 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2a5k h ILE 249 Cb 1.87 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2a5k h ILE 249 CO 0.23 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.56 2a5k n LEU 250 N -3.76 2.64 0.05 1.44 4.77 -1.03 -4.37 117.00 116.74 2a5k n LEU 250 Ca -0.02 -1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 54.76 2a5k n LEU 250 Cb 0.14 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2a5k n LEU 250 CO 0.27 0.55 0.80 1.23 -1.33 0.00 0.00 177.39 178.90 2a5k h GLY 251 N 4.76 -0.12 0.32 -0.72 0.00 -1.16 -1.80 103.07 104.35 2a5k h GLY 251 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.56 2a5k h GLY 251 CO 0.00 -0.11 0.24 -2.55 0.00 0.00 0.00 176.54 174.12 2a5k h PRO 252 N -0.18 0.40 -0.36 4.80 0.11 -1.79 -0.12 132.00 134.87 2a5k h PRO 252 Ca 0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 2a5k h PRO 252 Cb 0.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2a5k h PRO 252 CO -0.10 0.26 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.76 2a5k h LEU 253 N 0.41 0.61 0.06 2.35 3.38 -1.79 -1.43 115.31 118.91 2a5k h LEU 253 Ca 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2a5k h LEU 253 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2a5k h LEU 253 CO -0.34 0.77 -0.03 -1.28 0.09 0.00 0.00 178.44 177.65 2a5k h SER 254 N 0.57 -0.07 -0.17 -0.43 0.87 -0.81 -1.45 113.55 112.06 2a5k h SER 254 Ca 0.10 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2a5k h SER 254 Cb 0.55 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2a5k h SER 254 CO 0.03 0.07 -0.09 0.00 -0.53 0.00 0.00 176.83 176.32 2a5k h ALA 255 N 0.72 0.06 -0.52 6.23 0.00 -0.84 0.26 119.26 125.18 2a5k h ALA 255 Ca -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2a5k h ALA 255 Cb 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2a5k h ALA 255 CO 0.01 -0.52 0.06 0.37 0.00 0.00 0.00 179.25 179.17 2a5k h GLN 256 N -0.07 0.83 0.00 0.00 4.15 -1.20 -3.04 115.11 115.79 2a5k h GLN 256 Ca 0.10 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2a5k h GLN 256 Cb 0.21 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2a5k h GLN 256 CO -0.22 0.79 -0.99 0.25 -1.93 0.00 0.00 178.83 176.74 2a5k n THR 257 N -4.24 0.13 -1.07 2.39 -2.24 -0.55 -4.95 114.28 103.74 2a5k n THR 257 Ca 0.03 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 2a5k n THR 257 Cb 0.27 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 2a5k n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5k n GLY 258 N 1.40 0.58 3.26 3.38 0.00 0.87 -5.02 105.19 109.65 2a5k n GLY 258 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2a5k n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5k s ILE 259 N -1.99 3.44 0.63 -0.61 1.01 -1.00 -5.01 121.20 117.66 2a5k s ILE 259 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 2a5k s ILE 259 Cb 0.00 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 2a5k s ILE 259 CO 0.00 0.04 1.31 0.00 0.00 0.00 0.00 174.94 176.29 2a5k n ALA 260 N 4.76 1.27 -0.13 9.38 0.00 -1.26 -4.43 120.51 130.09 2a5k n ALA 260 Ca -0.14 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2a5k n ALA 260 Cb 0.46 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.61 2a5k n ALA 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a5k h VAL 261 N 0.75 0.95 0.00 0.00 2.07 -1.94 -0.90 116.25 117.19 2a5k h VAL 261 Ca -0.51 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2a5k h VAL 261 Cb 1.33 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2a5k h VAL 261 CO 0.54 0.08 -0.39 -0.07 0.02 0.00 0.00 177.57 177.74 2a5k h LEU 262 N 0.41 0.00 -0.11 2.57 3.38 -1.90 0.30 115.31 119.95 2a5k h LEU 262 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2a5k h LEU 262 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2a5k h LEU 262 CO -0.14 0.39 -0.11 0.44 0.09 0.00 0.00 178.44 179.11 2a5k h ASP 263 N 0.00 0.30 -0.82 -0.43 5.19 -1.63 -0.67 116.42 118.36 2a5k h ASP 263 Ca -0.00 -0.48 0.12 0.00 -0.62 0.00 0.00 57.03 56.04 2a5k h ASP 263 Cb 0.71 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.05 2a5k h ASP 263 CO 0.05 0.72 0.44 -0.03 -3.12 0.00 0.00 179.24 177.30 2a5k h MET 264 N -0.12 0.66 -0.89 3.56 4.05 -0.70 -0.04 114.93 121.45 2a5k h MET 264 Ca 0.02 -0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.52 2a5k h MET 264 Cb 0.64 -0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 31.20 2a5k h MET 264 CO 0.03 0.44 0.52 0.00 0.23 0.00 0.00 176.91 178.12 2a5k h ALA 266 N 1.52 1.12 -0.23 0.00 0.00 0.52 0.43 119.26 122.62 2a5k h ALA 266 Ca 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2a5k h ALA 266 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a5k h ALA 266 CO -0.29 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.67 2a5k h ALA 267 N 1.26 0.29 -0.40 0.00 0.00 0.15 -2.69 119.26 117.86 2a5k h ALA 267 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2a5k h ALA 267 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2a5k h ALA 267 CO -0.00 -0.16 0.20 1.25 0.00 0.00 0.00 179.25 180.54 2a5k h LEU 268 N 0.24 0.52 -0.85 0.00 6.46 -0.72 -0.97 115.31 119.99 2a5k h LEU 268 Ca 0.08 -0.12 0.18 0.00 -0.12 0.00 0.00 57.88 57.90 2a5k h LEU 268 Cb 0.10 -0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 39.79 2a5k h LEU 268 CO -0.01 0.49 0.39 0.50 -0.62 0.00 0.00 178.44 179.19 2a5k h LYS 269 N 0.51 0.47 -0.11 1.25 3.64 -0.88 0.34 116.57 121.79 2a5k h LYS 269 Ca 0.14 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.27 2a5k h LYS 269 Cb 0.10 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2a5k h LYS 269 CO -0.02 0.31 -0.81 0.93 -2.27 0.00 0.00 179.45 177.60 2a5k h GLU 270 N 0.48 0.68 -0.44 1.90 4.39 -1.08 -2.35 114.58 118.15 2a5k h GLU 270 Ca 0.50 -0.58 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2a5k h GLU 270 Cb 0.83 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 2a5k h GLU 270 CO -0.45 1.19 0.20 -0.07 -1.16 0.00 0.00 179.01 178.73 2a5k h LEU 271 N 0.45 0.28 -1.23 1.33 3.38 0.14 0.15 115.31 119.80 2a5k h LEU 271 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2a5k h LEU 271 Cb 1.43 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2a5k h LEU 271 CO 0.16 0.20 0.24 -0.07 0.09 0.00 0.00 178.44 179.06 2a5k h LEU 272 N 0.41 0.70 0.23 1.67 3.38 -0.24 0.28 115.31 121.73 2a5k h LEU 272 Ca 0.20 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 2a5k h LEU 272 Cb 0.13 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2a5k h LEU 272 CO -0.16 0.61 -1.57 1.56 0.09 0.00 0.00 178.44 178.97 2a5k h GLN 273 N 0.77 0.48 0.00 1.13 4.20 -0.99 -3.39 115.11 117.30 2a5k h GLN 273 Ca 0.19 -0.82 -0.01 0.00 0.06 0.00 0.00 58.65 58.07 2a5k h GLN 273 Cb 0.11 0.31 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2a5k h GLN 273 CO -0.02 1.39 -1.87 0.09 -0.67 0.00 0.00 178.83 177.75 2a5k n ASN 274 N -3.66 0.67 -0.04 1.46 5.03 0.47 -5.10 115.26 114.09 2a5k n ASN 274 Ca -0.19 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.26 2a5k n ASN 274 Cb 1.09 1.85 0.00 0.00 -1.02 0.00 0.00 39.78 41.70 2a5k n ASN 274 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a5k n GLY 275 N 1.44 -1.47 0.15 7.41 0.00 0.96 -4.47 105.19 109.20 2a5k n GLY 275 Ca -0.04 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.76 2a5k n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2a5k n MET 276 N -0.07 1.97 -4.16 1.61 0.00 -1.26 -4.71 117.12 110.48 2a5k n MET 276 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 57.70 57.02 2a5k n MET 276 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 31.98 2a5k n MET 276 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2a5k n ASN 277 N -0.85 -3.46 0.00 7.83 3.02 -1.26 -1.22 115.26 119.31 2a5k n ASN 277 Ca 0.04 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 2a5k n ASN 277 Cb 0.27 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 2a5k n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5k n GLY 278 N -1.39 3.13 3.94 7.41 0.00 -1.26 -5.07 105.19 111.95 2a5k n GLY 278 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2a5k n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a5k s ARG 279 N -0.63 0.54 0.23 1.61 0.52 -0.36 -5.09 118.95 115.77 2a5k s ARG 279 Ca 0.00 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2a5k s ARG 279 Cb 0.00 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 2a5k s ARG 279 CO 0.00 -2.47 0.01 0.95 0.02 0.00 0.00 175.30 173.81 2a5k s THR 280 N -3.90 0.95 -0.11 0.02 -4.23 -1.26 -4.69 115.64 102.42 2a5k s THR 280 Ca 0.75 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2a5k s THR 280 Cb -0.03 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2a5k s THR 280 CO 0.53 -0.30 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.57 2a5k s ILE 281 N -3.47 1.24 -1.69 2.99 1.01 -0.43 -4.73 121.20 116.11 2a5k s ILE 281 Ca 0.29 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 2a5k s ILE 281 Cb 0.06 -1.19 0.13 0.00 0.01 0.00 0.00 42.46 41.47 2a5k s ILE 281 CO 0.09 0.40 0.55 0.18 0.00 0.00 0.00 174.94 176.16 2a5k n LEU 282 N 4.62 -1.40 0.00 2.97 4.77 -1.26 -1.52 117.00 125.18 2a5k n LEU 282 Ca -0.16 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2a5k n LEU 282 Cb 0.50 -1.88 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 2a5k n LEU 282 CO 0.20 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2a5k n GLY 283 N -1.58 1.33 3.87 -0.72 0.00 -1.26 -4.78 105.19 102.05 2a5k n GLY 283 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2a5k n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5k s SER 284 N -3.09 6.44 -0.01 1.61 0.15 -0.58 -5.02 113.70 113.20 2a5k s SER 284 Ca 0.00 0.52 -0.08 0.00 0.70 0.00 0.00 55.95 57.09 2a5k s SER 284 Cb 0.00 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 2a5k s SER 284 CO 0.00 0.39 0.28 -0.89 1.20 0.00 0.00 173.24 174.22 2a5k s THR 285 N -0.96 5.28 0.00 6.45 2.01 -1.26 -1.32 115.64 125.83 2a5k s THR 285 Ca 0.16 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2a5k s THR 285 Cb -0.13 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2a5k s THR 285 CO 0.05 0.44 0.00 2.30 -0.69 0.00 0.00 174.62 176.72 2a5k n ILE 286 N 1.36 -0.46 -2.67 1.82 -5.35 -1.26 -5.00 119.36 107.80 2a5k n ILE 286 Ca -0.13 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 2a5k n ILE 286 Cb 0.53 -0.42 -0.02 0.00 -1.74 0.00 0.00 39.64 37.99 2a5k n ILE 286 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2a5k s LEU 287 N -0.50 4.20 -0.02 7.28 1.43 -1.26 -4.92 118.68 124.89 2a5k s LEU 287 Ca 0.00 1.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.38 2a5k s LEU 287 Cb 0.00 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2a5k s LEU 287 CO 0.00 -0.52 0.65 -0.70 0.23 0.00 0.00 176.35 176.00 2a5k s GLU 288 N 2.40 4.39 -0.12 1.70 2.56 -1.26 -4.97 118.70 123.40 2a5k s GLU 288 Ca 0.47 0.82 0.15 0.00 0.00 0.00 0.00 54.97 56.42 2a5k s GLU 288 Cb -0.18 -3.38 0.27 0.00 2.00 0.00 0.00 34.13 32.84 2a5k s GLU 288 CO 0.14 0.26 1.14 -0.40 -0.56 0.00 0.00 175.26 175.84 2a5k n ASP 289 N 3.07 1.88 -0.80 -1.70 3.85 -1.26 -3.78 116.55 117.82 2a5k n ASP 289 Ca -0.05 -3.01 0.03 0.00 -0.71 0.00 0.00 54.79 51.06 2a5k n ASP 289 Cb 0.51 -0.41 0.20 0.00 -1.35 0.00 0.00 41.12 40.08 2a5k n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2a5k n GLU 290 N -1.13 1.86 -4.24 0.11 1.02 -1.26 -4.70 120.64 112.30 2a5k n GLU 290 Ca 0.14 -3.06 -0.33 0.00 -0.02 0.00 0.00 57.16 53.88 2a5k n GLU 290 Cb 0.67 -1.72 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 2a5k n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a5k s PHE 291 N -3.12 2.77 0.76 -0.32 0.40 -1.26 -4.82 117.98 112.39 2a5k s PHE 291 Ca 0.40 -1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.14 2a5k s PHE 291 Cb 0.37 -1.91 0.04 0.00 0.51 0.00 0.00 43.02 42.03 2a5k s PHE 291 CO -0.00 -0.72 1.09 0.95 0.70 0.00 0.00 175.22 177.24 2a5k s THR 292 N 1.18 3.35 0.32 0.64 -4.23 -1.26 -4.46 115.64 111.17 2a5k s THR 292 Ca 0.02 0.44 0.09 0.00 -1.18 0.00 0.00 61.69 61.06 2a5k s THR 292 Cb -0.14 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.77 2a5k s THR 292 CO -0.09 -0.57 1.66 -0.65 -0.54 0.00 0.00 174.62 174.43 2a5k h PRO 293 N -0.91 0.30 -0.07 3.99 0.11 -1.89 -0.97 132.00 132.56 2a5k h PRO 293 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2a5k h PRO 293 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2a5k h PRO 293 CO 0.60 0.20 -0.09 0.74 -0.21 0.00 0.00 178.00 179.24 2a5k h PHE 294 N 0.31 0.22 -0.80 0.65 -1.00 -1.95 -1.50 116.94 112.87 2a5k h PHE 294 Ca 0.65 -0.07 0.19 0.00 2.81 0.00 0.00 57.97 61.55 2a5k h PHE 294 Cb 1.39 -0.04 -0.13 0.00 3.61 0.00 0.00 35.95 40.78 2a5k h PHE 294 CO -0.11 0.65 0.09 -0.44 -1.61 0.00 0.00 178.31 176.89 2a5k h ASP 295 N -0.28 -0.22 -0.13 2.17 3.32 -1.84 0.38 116.42 119.83 2a5k h ASP 295 Ca 0.01 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2a5k h ASP 295 Cb 0.63 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 2a5k h ASP 295 CO 0.02 -0.16 0.00 0.58 -1.72 0.00 0.00 179.24 177.96 2a5k h VAL 296 N 0.15 1.25 0.06 -1.35 2.07 -1.02 -0.06 116.25 117.34 2a5k h VAL 296 Ca 0.46 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2a5k h VAL 296 Cb 0.84 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2a5k h VAL 296 CO -0.66 0.23 -0.11 0.58 0.02 0.00 0.00 177.57 177.63 2a5k h VAL 297 N -0.03 0.73 -0.54 2.57 2.07 -0.84 0.21 116.25 120.41 2a5k h VAL 297 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2a5k h VAL 297 Cb 0.35 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2a5k h VAL 297 CO 0.01 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.64 2a5k h ARG 298 N -0.22 0.27 0.00 1.57 2.43 -0.06 -2.19 114.38 116.18 2a5k h ARG 298 Ca 0.02 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2a5k h ARG 298 Cb 0.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2a5k h ARG 298 CO -0.07 0.18 -0.71 0.37 -1.51 0.00 0.00 179.97 178.22 2a5k h GLN 299 N 0.27 0.00 0.00 0.20 4.15 -0.84 0.99 115.11 119.88 2a5k h GLN 299 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2a5k h GLN 299 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2a5k h GLN 299 CO -0.34 0.16 -0.24 0.00 -1.93 0.00 0.00 178.83 176.48 2a5k n SER 301 N -1.66 0.77 -3.19 0.00 3.41 -0.84 -5.07 113.62 107.04 2a5k n SER 301 Ca 0.06 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.49 2a5k n SER 301 Cb 0.36 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2a5k n SER 301 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a5k n GLY 302 N -0.01 -0.30 3.76 5.00 0.00 0.34 -4.97 105.19 109.02 2a5k n GLY 302 Ca 0.00 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2a5k n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5k s VAL 303 N -3.32 2.62 -0.79 1.61 0.11 -1.06 -5.05 120.40 114.52 2a5k s VAL 303 Ca 0.10 0.58 0.06 0.00 -2.93 0.00 0.00 61.98 59.80 2a5k s VAL 303 Cb -0.04 -3.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2a5k s VAL 303 CO 0.65 0.12 0.70 0.35 -3.33 0.00 0.00 175.10 173.59