#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 -0.44 3.52 0.23 0.00 -1.26 -5.10 105.19 102.14 2a5k n GLY 2 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.05 -0.02 1.61 5.36 -1.26 -5.12 117.98 117.50 2a5k s PHE 3 Ca 0.00 1.97 -0.06 0.00 -0.96 0.00 0.00 56.93 57.88 2a5k s PHE 3 Cb 0.00 0.58 0.01 0.00 -0.34 0.00 0.00 43.02 43.27 2a5k s PHE 3 CO 0.00 -0.54 0.13 1.03 -1.46 0.00 0.00 175.22 174.38 2a5k s ARG 4 N 2.24 0.33 0.09 10.12 0.52 -1.26 -5.04 118.95 125.95 2a5k s ARG 4 Ca -0.07 -0.14 -0.32 0.00 -0.52 0.00 0.00 55.73 54.68 2a5k s ARG 4 Cb -0.09 0.14 -0.12 0.00 0.52 0.00 0.00 34.95 35.40 2a5k s ARG 4 CO -0.17 -0.07 1.79 1.63 0.02 0.00 0.00 175.30 178.50 2a5k n LYS 5 N 2.18 2.51 -4.21 3.54 4.76 -1.26 -4.99 118.16 120.69 2a5k n LYS 5 Ca -0.18 0.91 -0.15 0.00 -2.87 0.00 0.00 58.31 56.02 2a5k n LYS 5 Cb 0.57 -2.77 -0.11 0.00 -1.84 0.00 0.00 35.03 30.88 2a5k n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a5k s MET 6 N 2.57 0.93 0.29 1.97 0.23 -1.26 -4.97 119.30 119.06 2a5k s MET 6 Ca 0.83 -1.24 0.05 0.00 -1.03 0.00 0.00 55.69 54.30 2a5k s MET 6 Cb -0.57 -0.63 -0.02 0.00 -1.53 0.00 0.00 34.83 32.07 2a5k s MET 6 CO 0.40 0.10 0.42 0.00 -2.03 0.00 0.00 175.02 173.92 2a5k s ALA 7 N -2.59 4.01 0.47 3.16 0.00 -1.26 -4.76 121.76 120.79 2a5k s ALA 7 Ca 0.09 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 2a5k s ALA 7 Cb -0.02 -1.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 2a5k s ALA 7 CO 0.01 0.10 1.12 -0.06 0.00 0.00 0.00 175.76 176.94 2a5k s PHE 8 N -2.09 2.90 0.23 0.00 0.08 -1.26 -4.99 117.98 112.85 2a5k s PHE 8 Ca 0.39 1.56 -0.31 0.00 0.12 0.00 0.00 56.93 58.68 2a5k s PHE 8 Cb -0.09 -3.28 -0.14 0.00 -0.57 0.00 0.00 43.02 38.93 2a5k s PHE 8 CO 0.31 -1.30 1.31 -2.30 -0.10 0.00 0.00 175.22 173.13 2a5k n PRO 9 N -0.66 1.75 0.00 0.24 -0.02 -1.26 -4.91 135.00 130.14 2a5k n PRO 9 Ca 0.08 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 2a5k n PRO 9 Cb 0.49 -2.21 0.08 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.99 0.86 -0.35 2.55 3.41 -1.26 -4.59 113.62 116.22 2a5k n SER 10 Ca 0.12 -0.71 -0.03 0.00 -0.26 0.00 0.00 58.87 57.99 2a5k n SER 10 Cb 0.30 0.58 0.02 0.00 -0.26 0.00 0.00 64.21 64.85 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 4.98 -0.07 0.60 5.00 0.00 -1.99 0.12 103.07 111.70 2a5k h GLY 11 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 47.33 47.98 2a5k h GLY 11 CO 0.00 -0.18 0.61 0.50 0.00 0.00 0.00 176.54 177.47 2a5k h LYS 12 N -0.04 0.92 0.04 4.80 1.57 -1.97 -2.63 116.57 119.26 2a5k h LYS 12 Ca 0.30 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.79 2a5k h LYS 12 Cb 0.57 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2a5k h LYS 12 CO -0.93 0.61 -1.13 0.28 -0.57 0.00 0.00 179.45 177.71 2a5k h VAL 13 N 0.95 1.59 -0.89 0.50 2.07 -1.18 -3.25 116.25 116.04 2a5k h VAL 13 Ca 0.46 -3.26 0.09 0.00 0.82 0.00 0.00 66.70 64.80 2a5k h VAL 13 Cb 0.45 2.85 -0.07 0.00 -1.52 0.00 0.00 31.29 33.00 2a5k h VAL 13 CO -0.22 0.92 0.54 -0.33 0.02 0.00 0.00 177.57 178.50 2a5k h GLU 14 N 0.02 0.89 0.00 1.57 5.08 -0.71 -1.37 114.58 120.06 2a5k h GLU 14 Ca -0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2a5k h GLU 14 Cb 1.85 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2a5k h GLU 14 CO 0.15 0.59 0.23 0.78 -1.00 0.00 0.00 179.01 179.76 2a5k h GLY 15 N 0.91 0.00 -1.31 -3.84 0.00 -1.53 -2.86 103.07 94.45 2a5k h GLY 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2a5k h GLY 15 CO -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.20 2a5k s MET 17 N -1.72 4.44 0.24 0.00 1.00 -1.08 -0.55 119.30 121.63 2a5k s MET 17 Ca 0.20 0.91 0.02 0.00 0.00 0.00 0.00 55.69 56.81 2a5k s MET 17 Cb 0.15 -3.43 -0.05 0.00 0.00 0.00 0.00 34.83 31.50 2a5k s MET 17 CO 0.30 0.10 0.07 0.14 0.00 0.00 0.00 175.02 175.63 2a5k s VAL 18 N 0.67 0.66 -0.21 -6.03 -7.23 -0.04 -4.77 120.40 103.45 2a5k s VAL 18 Ca 0.38 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2a5k s VAL 18 Cb -0.18 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2a5k s VAL 18 CO 0.19 -0.12 0.03 -1.58 -0.31 0.00 0.00 175.10 173.31 2a5k s GLN 19 N -3.99 3.67 -0.14 4.82 0.74 -0.54 -0.18 119.66 124.04 2a5k s GLN 19 Ca 0.34 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.25 2a5k s GLN 19 Cb 0.07 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 2a5k s GLN 19 CO 0.11 -0.01 -0.08 0.08 -0.55 0.00 0.00 175.29 174.84 2a5k s VAL 20 N 1.11 3.47 -0.08 1.34 1.01 -0.30 -0.40 120.40 126.54 2a5k s VAL 20 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2a5k s VAL 20 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2a5k s VAL 20 CO 0.02 0.51 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 2a5k s THR 21 N 0.39 1.80 -0.09 3.92 2.01 0.33 -1.23 115.64 122.77 2a5k s THR 21 Ca -0.07 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2a5k s THR 21 Cb -0.15 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.84 2a5k s THR 21 CO 0.04 0.50 0.07 0.00 -0.69 0.00 0.00 174.62 174.54 2a5k n GLY 23 N 5.28 2.74 0.71 0.00 0.00 -1.26 -2.15 105.19 110.51 2a5k n GLY 23 Ca -0.05 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -3.61 2.61 -2.24 -1.26 -4.95 114.28 104.83 2a5k n THR 24 Ca 0.00 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 2a5k n THR 24 Cb 0.00 1.37 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.60 5.34 -0.11 4.28 2.01 -0.92 -5.07 115.64 119.58 2a5k s THR 25 Ca 0.21 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.62 2a5k s THR 25 Cb 0.15 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2a5k s THR 25 CO 0.25 0.39 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.49 2a5k s THR 26 N 0.58 1.77 0.00 -0.82 2.01 -1.26 -1.22 115.64 116.69 2a5k s THR 26 Ca 0.13 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2a5k s THR 26 Cb -0.12 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.82 2a5k s THR 26 CO 0.02 0.49 0.00 0.00 -0.69 0.00 0.00 174.62 174.45 2a5k n LEU 27 N 3.91 0.00 -4.92 4.42 -0.00 -0.36 -4.84 117.00 115.21 2a5k n LEU 27 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.50 2a5k n LEU 27 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.90 2a5k n LEU 27 CO 0.26 0.00 -0.12 0.20 -0.00 0.00 0.00 177.39 177.74 2a5k s ASN 28 N -0.43 6.38 0.18 1.45 0.01 -0.73 -1.15 114.94 120.64 2a5k s ASN 28 Ca 0.00 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 2a5k s ASN 28 Cb 0.00 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 2a5k s ASN 28 CO 0.00 0.14 0.06 -0.83 -1.51 0.00 0.00 177.10 174.96 2a5k s GLY 29 N -2.54 1.27 -0.16 0.66 0.00 0.74 -4.37 107.32 102.92 2a5k s GLY 29 Ca 0.36 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2a5k s GLY 29 CO 0.27 -1.46 -0.17 -2.27 0.00 0.00 0.00 173.10 169.48 2a5k s LEU 30 N -3.15 2.36 -0.45 0.66 2.96 0.28 -0.86 118.68 120.48 2a5k s LEU 30 Ca 0.29 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2a5k s LEU 30 Cb 0.07 -1.54 0.10 0.00 0.50 0.00 0.00 46.19 45.33 2a5k s LEU 30 CO 0.06 0.05 0.30 0.86 -1.32 0.00 0.00 176.35 176.31 2a5k s TRP 31 N 1.00 3.41 -0.10 5.38 -0.00 0.29 -0.64 118.94 128.27 2a5k s TRP 31 Ca -0.02 -1.79 0.04 0.00 -0.00 0.00 0.00 56.10 54.32 2a5k s TRP 31 Cb -0.15 -3.29 0.00 0.00 -0.00 0.00 0.00 33.47 30.04 2a5k s TRP 31 CO -0.04 -0.94 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.23 2a5k s LEU 32 N 1.37 2.04 0.00 5.86 1.43 0.06 -4.67 118.68 124.76 2a5k s LEU 32 Ca 0.05 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2a5k s LEU 32 Cb -0.25 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2a5k s LEU 32 CO -0.00 0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.19 2a5k n ASP 33 N 3.63 0.00 -1.79 2.29 8.00 -1.26 -1.51 116.55 125.90 2a5k n ASP 33 Ca -0.19 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.38 2a5k n ASP 33 Cb 0.53 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.01 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 3.76 5.40 -4.18 -2.24 3.85 -1.26 -0.35 116.55 121.53 2a5k n ASP 34 Ca 0.00 -2.80 -0.26 0.00 -0.71 0.00 0.00 54.79 51.02 2a5k n ASP 34 Cb 0.00 -0.66 -0.16 0.00 -1.35 0.00 0.00 41.12 38.95 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 -2.52 1.50 -0.15 2.12 2.01 -0.57 -0.75 115.64 117.29 2a5k s THR 35 Ca 0.52 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 2a5k s THR 35 Cb 0.39 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2a5k s THR 35 CO 0.17 0.43 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 2a5k s VAL 36 N -0.34 3.85 -0.11 3.82 1.01 0.23 -0.76 120.40 128.09 2a5k s VAL 36 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2a5k s VAL 36 Cb -0.08 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2a5k s VAL 36 CO 0.00 0.50 0.01 -0.31 0.00 0.00 0.00 175.10 175.30 2a5k s TYR 37 N 0.28 3.15 0.13 5.22 2.02 0.19 -1.17 117.35 127.17 2a5k s TYR 37 Ca -0.04 0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.60 2a5k s TYR 37 Cb -0.14 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 2a5k s TYR 37 CO 0.03 0.33 0.37 0.00 -1.57 0.00 0.00 175.55 174.71 2a5k n PRO 39 N -0.21 2.56 0.16 0.00 -0.02 -1.26 -0.22 135.00 136.01 2a5k n PRO 39 Ca -0.15 0.91 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 2a5k n PRO 39 Cb 0.63 -2.66 0.58 0.00 -0.02 0.00 0.00 33.50 32.03 2a5k n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2a5k h ARG 40 N 4.34 0.00 0.00 -0.52 0.11 -1.53 -2.48 114.38 114.30 2a5k h ARG 40 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2a5k h ARG 40 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2a5k h ARG 40 CO 0.76 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.44 2a5k n HIS 41 N -2.32 0.00 0.30 4.08 1.44 -1.26 -1.44 115.22 116.01 2a5k n HIS 41 Ca 0.00 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.90 2a5k n HIS 41 Cb 0.14 -0.36 0.98 0.00 0.12 0.00 0.00 29.99 30.87 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 0.17 -0.30 0.61 3.04 -1.82 -1.38 116.25 116.58 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 0.14 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 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 -3.29 0.39 -2.07 3.17 -5.35 -0.52 -4.46 119.36 107.22 2a5k n ILE 43 Ca -0.01 -0.51 -0.28 0.00 -0.27 0.00 0.00 62.75 61.68 2a5k n ILE 43 Cb 0.23 0.50 0.12 0.00 -1.74 0.00 0.00 39.64 38.74 2a5k n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a5k s THR 45 N -3.53 0.55 0.16 0.00 -4.23 -1.26 -4.84 115.64 102.48 2a5k s THR 45 Ca 0.66 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 59.03 2a5k s THR 45 Cb -0.08 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.08 2a5k s THR 45 CO 0.48 -0.85 1.34 0.00 -0.54 0.00 0.00 174.62 175.05 2a5k n ALA 46 N -0.02 -0.42 -0.23 3.99 0.00 -1.26 -1.40 120.51 121.16 2a5k n ALA 46 Ca -0.12 0.78 0.04 0.00 0.00 0.00 0.00 53.44 54.14 2a5k n ALA 46 Cb 0.61 -0.20 0.16 0.00 0.00 0.00 0.00 19.45 20.02 2a5k n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2a5k h GLU 47 N 0.00 0.22 -2.20 0.00 9.09 -2.05 -3.34 114.58 116.31 2a5k h GLU 47 Ca 0.19 -0.01 -0.59 0.00 0.05 0.00 0.00 59.36 59.00 2a5k h GLU 47 Cb 0.40 -0.05 -0.42 0.00 -1.65 0.00 0.00 28.75 27.04 2a5k h GLU 47 CO -0.83 0.14 -0.68 -0.40 0.05 0.00 0.00 179.01 177.29 2a5k n ASP 48 N -5.19 3.60 -0.00 3.06 3.85 -0.50 -4.64 116.55 116.73 2a5k n ASP 48 Ca 0.12 -3.45 0.06 0.00 -0.71 0.00 0.00 54.79 50.81 2a5k n ASP 48 Cb 0.43 -0.62 -0.13 0.00 -1.35 0.00 0.00 41.12 39.44 2a5k n ASP 48 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2a5k n MET 49 N 0.45 0.65 0.43 0.11 2.81 -1.25 -3.75 117.12 116.57 2a5k n MET 49 Ca 0.29 -0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.94 2a5k n MET 49 Cb 0.43 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.26 2a5k n MET 49 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2a5k h LEU 50 N 0.00 -0.93 -6.35 4.03 3.38 -1.82 -1.51 115.31 112.10 2a5k h LEU 50 Ca -0.11 0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.29 2a5k h LEU 50 Cb 1.28 0.24 -0.41 0.00 0.09 0.00 0.00 40.66 41.85 2a5k h LEU 50 CO 0.01 -0.58 -0.69 0.59 0.09 0.00 0.00 178.44 177.86 2a5k n ASN 51 N -5.43 2.83 -4.76 -0.43 3.02 -1.26 -4.38 115.26 104.85 2a5k n ASN 51 Ca -0.14 -3.22 -0.40 0.00 -0.03 0.00 0.00 54.58 50.79 2a5k n ASN 51 Cb 0.43 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 2a5k n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a5k s PRO 52 N -1.94 4.55 -0.53 3.52 0.04 -1.25 -4.98 135.00 134.43 2a5k s PRO 52 Ca 0.36 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 2a5k s PRO 52 Cb 0.11 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.64 2a5k s PRO 52 CO -0.07 0.10 0.41 1.21 0.04 0.00 0.00 177.00 178.69 2a5k s ASN 53 N -0.79 5.81 0.24 6.66 3.84 -1.26 -4.97 114.94 124.48 2a5k s ASN 53 Ca 0.46 -2.06 -0.02 0.00 0.21 0.00 0.00 52.86 51.45 2a5k s ASN 53 Cb -0.34 -2.04 0.28 0.00 -0.55 0.00 0.00 41.25 38.60 2a5k s ASN 53 CO 0.44 -0.67 1.67 1.88 -2.79 0.00 0.00 177.10 177.63 2a5k h TYR 54 N 8.31 0.76 -0.60 0.43 -1.99 -1.99 -1.77 116.97 120.11 2a5k h TYR 54 Ca -0.17 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.35 2a5k h TYR 54 Cb 1.06 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.58 2a5k h TYR 54 CO 0.69 0.83 0.19 1.05 -0.00 0.00 0.00 178.16 180.92 2a5k h GLU 55 N 0.60 0.94 0.35 4.88 9.09 -1.99 -1.08 114.58 127.36 2a5k h GLU 55 Ca 0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 59.36 59.29 2a5k h GLU 55 Cb 0.68 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 2a5k h GLU 55 CO 0.05 0.83 -0.23 -0.44 0.05 0.00 0.00 179.01 179.28 2a5k h ASP 56 N 0.86 -0.57 -0.83 3.06 5.19 -1.92 -3.06 116.42 119.15 2a5k h ASP 56 Ca 0.20 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.70 2a5k h ASP 56 Cb 0.28 0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.91 2a5k h ASP 56 CO -0.01 -0.36 0.55 -0.07 -3.12 0.00 0.00 179.24 176.23 2a5k h LEU 57 N -0.56 0.83 -0.66 1.55 3.38 -1.00 -1.56 115.31 117.29 2a5k h LEU 57 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2a5k h LEU 57 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2a5k h LEU 57 CO 0.03 0.55 -0.40 0.25 0.09 0.00 0.00 178.44 178.95 2a5k h LEU 58 N 0.95 0.00 0.03 1.67 5.85 -1.19 -2.73 115.31 119.89 2a5k h LEU 58 Ca 0.35 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.91 2a5k h LEU 58 Cb 0.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 2a5k h LEU 58 CO -0.12 0.40 -0.65 0.16 -0.34 0.00 0.00 178.44 177.89 2a5k h ILE 59 N 0.00 1.44 -0.41 4.05 3.07 -1.20 -3.11 117.51 121.35 2a5k h ILE 59 Ca -0.00 -2.17 0.12 0.00 1.55 0.00 0.00 64.86 64.36 2a5k h ILE 59 Cb 1.04 2.70 -0.02 0.00 -0.27 0.00 0.00 36.82 40.27 2a5k h ILE 59 CO 0.05 0.63 0.77 0.03 -1.05 0.00 0.00 178.15 178.58 2a5k h ARG 60 N -0.14 0.00 -5.90 0.16 3.08 -1.14 -3.40 114.38 107.04 2a5k h ARG 60 Ca -0.09 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.35 2a5k h ARG 60 Cb 1.39 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.37 2a5k h ARG 60 CO 0.13 0.00 -0.24 0.15 -1.07 0.00 0.00 179.97 178.94 2a5k s LYS 61 N -4.31 3.92 0.38 0.04 3.01 -1.06 -5.06 119.74 116.66 2a5k s LYS 61 Ca -0.03 0.33 0.05 0.00 -1.01 0.00 0.00 55.97 55.31 2a5k s LYS 61 Cb 0.10 -3.25 0.05 0.00 -1.01 0.00 0.00 37.83 33.72 2a5k s LYS 61 CO 0.34 0.62 0.40 -1.13 0.51 0.00 0.00 175.35 176.10 2a5k n SER 62 N 2.13 1.84 -0.21 2.83 3.41 -1.26 -4.97 113.62 117.39 2a5k n SER 62 Ca -0.14 -2.18 -0.04 0.00 -0.26 0.00 0.00 58.87 56.25 2a5k n SER 62 Cb 0.53 -0.15 0.13 0.00 -0.26 0.00 0.00 64.21 64.45 2a5k n SER 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2a5k h ASN 63 N 0.27 0.94 -0.97 4.04 2.35 -1.95 -2.55 115.58 117.70 2a5k h ASN 63 Ca -0.21 -0.16 0.22 0.00 -0.55 0.00 0.00 56.30 55.60 2a5k h ASN 63 Cb 0.86 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.90 2a5k h ASN 63 CO 0.32 0.88 0.63 0.45 -1.65 0.00 0.00 177.43 178.05 2a5k h HIS 64 N 0.98 0.71 0.00 1.19 3.86 -1.94 -1.58 115.15 118.37 2a5k h HIS 64 Ca 0.22 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2a5k h HIS 64 Cb 0.27 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2a5k h HIS 64 CO 0.02 0.14 0.00 0.43 0.86 0.00 0.00 177.93 179.38 2a5k n SER 65 N -4.61 0.00 -4.19 2.45 7.64 -0.96 -4.61 113.62 109.34 2a5k n SER 65 Ca 0.22 0.18 -0.32 0.00 1.01 0.00 0.00 58.87 59.96 2a5k n SER 65 Cb 0.72 -0.30 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.59 2.64 -0.13 1.43 0.08 -0.60 -4.08 117.98 114.73 2a5k s PHE 66 Ca 0.08 -1.23 0.01 0.00 0.12 0.00 0.00 56.93 55.92 2a5k s PHE 66 Cb 0.06 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2a5k s PHE 66 CO 0.13 -0.54 -0.17 -0.48 -0.10 0.00 0.00 175.22 174.06 2a5k s LEU 67 N 0.66 2.45 -0.10 -0.37 0.05 0.33 -4.72 118.68 116.99 2a5k s LEU 67 Ca -0.11 -0.44 0.04 0.00 0.05 0.00 0.00 54.13 53.67 2a5k s LEU 67 Cb -0.16 -1.53 -0.00 0.00 -2.05 0.00 0.00 46.19 42.44 2a5k s LEU 67 CO 0.02 0.14 -0.24 -0.69 -0.55 0.00 0.00 176.35 175.03 2a5k s VAL 68 N 0.46 2.10 -0.09 1.48 1.01 -1.26 -0.52 120.40 123.58 2a5k s VAL 68 Ca -0.12 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2a5k s VAL 68 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2a5k s VAL 68 CO 0.05 0.56 -0.10 -1.10 0.00 0.00 0.00 175.10 174.51 2a5k s GLN 69 N 0.28 1.62 -0.34 2.72 -0.21 0.46 -0.04 119.66 124.16 2a5k s GLN 69 Ca -0.17 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 54.77 2a5k s GLN 69 Cb -0.17 -1.48 0.01 0.00 1.00 0.00 0.00 33.01 32.36 2a5k s GLN 69 CO 0.08 -0.10 0.17 0.00 -2.12 0.00 0.00 175.29 173.32 2a5k s ALA 70 N 1.12 3.26 0.00 6.09 0.00 0.20 -1.47 121.76 130.97 2a5k s ALA 70 Ca -0.06 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2a5k s ALA 70 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2a5k s ALA 70 CO -0.02 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2a5k n GLY 71 N 4.98 3.04 1.31 0.00 0.00 -1.26 0.11 105.19 113.37 2a5k n GLY 71 Ca -0.13 0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 3.44 3.79 -4.21 1.61 2.04 -1.26 -4.83 115.26 115.85 2a5k n ASN 72 Ca 0.00 -2.52 -0.35 0.00 -0.44 0.00 0.00 54.58 51.27 2a5k n ASN 72 Cb 0.00 -0.59 -0.14 0.00 -2.53 0.00 0.00 39.78 36.52 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 -2.02 2.94 0.25 3.53 1.01 0.12 -5.07 120.40 121.15 2a5k s VAL 73 Ca 0.33 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2a5k s VAL 73 Cb 0.25 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 2a5k s VAL 73 CO 0.11 0.20 1.46 -1.58 0.00 0.00 0.00 175.10 175.28 2a5k s GLN 74 N 1.34 4.25 -0.20 2.72 0.74 -1.26 0.62 119.66 127.87 2a5k s GLN 74 Ca 0.00 2.33 -0.08 0.00 0.05 0.00 0.00 55.36 57.67 2a5k s GLN 74 Cb -0.17 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 2a5k s GLN 74 CO -0.04 -0.44 0.07 -0.51 -0.55 0.00 0.00 175.29 173.82 2a5k s LEU 75 N -0.40 3.75 -0.22 3.68 1.43 0.95 -4.88 118.68 122.99 2a5k s LEU 75 Ca 0.60 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2a5k s LEU 75 Cb -0.42 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2a5k s LEU 75 CO 0.44 0.12 1.39 -0.60 0.23 0.00 0.00 176.35 177.93 2a5k s ARG 76 N 0.70 4.01 0.13 1.70 3.52 -1.26 -4.05 118.95 123.70 2a5k s ARG 76 Ca 0.04 1.56 -0.30 0.00 -0.13 0.00 0.00 55.73 56.90 2a5k s ARG 76 Cb -0.13 -3.89 -0.06 0.00 -1.56 0.00 0.00 34.95 29.30 2a5k s ARG 76 CO 0.02 -1.00 0.98 0.08 -0.81 0.00 0.00 175.30 174.56 2a5k s VAL 77 N 4.26 4.36 -0.00 7.11 1.01 -1.26 -0.93 120.40 134.94 2a5k s VAL 77 Ca 0.61 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.60 2a5k s VAL 77 Cb -0.22 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.89 2a5k s VAL 77 CO 0.22 0.33 0.68 2.30 0.00 0.00 0.00 175.10 178.63 2a5k n ILE 78 N 2.59 0.28 -3.64 2.22 -5.35 0.27 -4.78 119.36 110.95 2a5k n ILE 78 Ca 0.02 -0.29 -0.06 0.00 -0.27 0.00 0.00 62.75 62.15 2a5k n ILE 78 Cb 0.48 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.12 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 -0.40 0.04 -0.00 3.28 0.00 -1.16 -4.91 107.32 104.17 2a5k s GLY 79 Ca 0.01 3.01 0.00 0.00 0.00 0.00 0.00 44.72 47.74 2a5k s GLY 79 CO 0.00 1.97 -0.01 -2.38 0.00 0.00 0.00 173.10 172.68 2a5k s HIS 80 N 0.30 0.11 0.32 1.90 -3.43 -1.26 -0.45 115.29 112.79 2a5k s HIS 80 Ca 0.03 -0.01 -0.07 0.00 -0.80 0.00 0.00 55.06 54.21 2a5k s HIS 80 Cb -0.05 -0.09 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 2a5k s HIS 80 CO -0.10 -0.01 0.52 -1.54 -2.00 0.00 0.00 174.74 171.61 2a5k s SER 81 N 0.07 0.52 -0.06 7.38 1.04 -0.49 -5.01 113.70 117.15 2a5k s SER 81 Ca -0.00 -1.30 0.06 0.00 0.48 0.00 0.00 55.95 55.18 2a5k s SER 81 Cb -0.02 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2a5k s SER 81 CO -0.00 -1.32 -0.24 -0.32 0.98 0.00 0.00 173.24 172.34 2a5k s MET 82 N -3.18 2.54 -0.26 4.02 1.75 -1.26 -0.09 119.30 122.82 2a5k s MET 82 Ca 0.26 -0.87 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2a5k s MET 82 Cb -0.01 -2.12 0.06 0.00 2.84 0.00 0.00 34.83 35.61 2a5k s MET 82 CO 0.16 0.34 -0.08 -1.14 -0.65 0.00 0.00 175.02 173.65 2a5k s GLN 83 N -0.07 1.94 4.21 4.11 0.74 0.15 -4.92 119.66 125.83 2a5k s GLN 83 Ca -0.06 -1.26 0.00 0.00 0.05 0.00 0.00 55.36 54.09 2a5k s GLN 83 Cb -0.14 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.17 2a5k s GLN 83 CO 0.04 -0.61 0.00 0.09 -0.55 0.00 0.00 175.29 174.26 2a5k n ASN 84 N 4.51 0.00 -0.94 6.67 3.02 -1.26 -0.84 115.26 126.42 2a5k n ASN 84 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 2a5k n ASN 84 Cb 0.43 0.00 0.24 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 -1.09 3.91 0.00 0.00 1.43 -0.02 -1.48 118.68 121.43 2a5k s LEU 86 Ca 0.35 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2a5k s LEU 86 Cb 0.18 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2a5k s LEU 86 CO 0.25 0.12 0.31 -0.76 0.23 0.00 0.00 176.35 176.49 2a5k s LEU 87 N -2.79 4.39 -0.26 1.79 1.43 0.69 -0.67 118.68 123.26 2a5k s LEU 87 Ca 0.31 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.07 2a5k s LEU 87 Cb -0.11 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2a5k s LEU 87 CO 0.24 0.27 -0.02 -0.13 0.23 0.00 0.00 176.35 176.94 2a5k s ARG 88 N -1.53 2.98 -0.25 1.70 0.52 0.87 -2.23 118.95 121.02 2a5k s ARG 88 Ca 0.26 -0.89 -0.09 0.00 -0.52 0.00 0.00 55.73 54.48 2a5k s ARG 88 Cb -0.14 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 2a5k s ARG 88 CO 0.14 -0.38 0.13 -0.51 0.02 0.00 0.00 175.30 174.70 2a5k s LEU 89 N 1.40 3.84 -0.02 2.53 1.43 -0.32 -1.39 118.68 126.15 2a5k s LEU 89 Ca 0.02 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2a5k s LEU 89 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2a5k s LEU 89 CO -0.02 0.01 0.99 -0.75 0.23 0.00 0.00 176.35 176.81 2a5k s LYS 90 N 1.35 4.53 0.35 1.70 2.20 0.40 -0.60 119.74 129.67 2a5k s LYS 90 Ca 0.06 1.42 0.08 0.00 -0.36 0.00 0.00 55.97 57.18 2a5k s LYS 90 Cb -0.15 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 2a5k s LYS 90 CO 0.06 -0.10 0.09 0.14 -0.36 0.00 0.00 175.35 175.18 2a5k s VAL 91 N 1.19 2.75 -1.02 4.02 -7.23 0.07 0.98 120.40 121.15 2a5k s VAL 91 Ca 0.51 -1.82 0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2a5k s VAL 91 Cb -0.21 -2.90 0.23 0.00 0.56 0.00 0.00 36.38 34.06 2a5k s VAL 91 CO 0.26 -0.16 1.88 -0.90 -0.31 0.00 0.00 175.10 175.86 2a5k n ASP 92 N -1.07 0.06 -4.19 4.85 3.85 -0.11 -4.78 116.55 115.17 2a5k n ASP 92 Ca -0.03 0.38 -0.29 0.00 -0.71 0.00 0.00 54.79 54.14 2a5k n ASP 92 Cb 0.62 -0.40 -0.16 0.00 -1.35 0.00 0.00 41.12 39.83 2a5k n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2a5k s THR 93 N -2.98 1.73 -0.05 2.12 2.01 -1.26 -5.06 115.64 112.15 2a5k s THR 93 Ca 0.14 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 2a5k s THR 93 Cb 0.19 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 2a5k s THR 93 CO 0.55 0.49 1.05 -0.55 -0.69 0.00 0.00 174.62 175.46 2a5k s SER 94 N 0.03 7.24 -0.24 3.53 0.15 -1.26 -4.40 113.70 118.75 2a5k s SER 94 Ca -0.06 1.66 -0.29 0.00 0.70 0.00 0.00 55.95 57.97 2a5k s SER 94 Cb -0.13 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2a5k s SER 94 CO 0.04 -0.41 1.93 0.21 1.20 0.00 0.00 173.24 176.21 2a5k s ASN 95 N 1.13 5.87 0.61 5.45 2.47 0.53 -4.83 114.94 126.17 2a5k s ASN 95 Ca 0.52 1.70 0.39 0.00 0.42 0.00 0.00 52.86 55.88 2a5k s ASN 95 Cb -0.21 -2.52 1.95 0.00 -1.45 0.00 0.00 41.25 39.02 2a5k s ASN 95 CO 0.23 -1.66 2.21 1.55 -3.72 0.00 0.00 177.10 175.71 2a5k h PRO 96 N 13.07 0.00 -0.49 0.43 0.13 -1.94 -0.95 132.00 142.25 2a5k h PRO 96 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2a5k h PRO 96 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2a5k h PRO 96 CO 0.99 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 180.41 2a5k n LYS 97 N -3.17 2.44 -1.67 0.86 5.02 -1.26 -4.95 118.16 115.42 2a5k n LYS 97 Ca -0.02 -2.20 -0.53 0.00 -2.02 0.00 0.00 58.31 53.55 2a5k n LYS 97 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.34 0.25 -2.21 -0.18 -1.04 -0.36 -4.81 114.28 107.27 2a5k n THR 98 Ca 0.20 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.90 2a5k n THR 98 Cb 0.55 -1.30 0.05 0.00 -1.82 0.00 0.00 70.33 67.82 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 2.53 2.56 0.26 -2.82 0.04 -1.26 -5.02 135.00 131.28 2a5k s PRO 99 Ca 0.91 -0.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 2a5k s PRO 99 Cb -0.91 -2.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.34 2a5k s PRO 99 CO 0.54 -1.03 1.56 1.17 0.04 0.00 0.00 177.00 179.28 2a5k n LYS 100 N -2.83 2.50 -3.67 4.56 4.81 -1.26 -4.95 118.16 117.32 2a5k n LYS 100 Ca 0.06 0.89 -0.10 0.00 -0.87 0.00 0.00 58.31 58.29 2a5k n LYS 100 Cb 0.59 -2.64 -0.05 0.00 0.02 0.00 0.00 35.03 32.95 2a5k n LYS 100 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2a5k s TYR 101 N 0.16 -0.16 0.07 5.64 -0.85 -1.26 -1.29 117.35 119.66 2a5k s TYR 101 Ca 0.67 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 57.06 2a5k s TYR 101 Cb -0.55 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 2a5k s TYR 101 CO 0.46 -0.73 -0.05 0.15 -1.52 0.00 0.00 175.55 173.86 2a5k s LYS 102 N -3.82 0.67 -0.20 -3.49 1.02 -0.02 -4.91 119.74 108.99 2a5k s LYS 102 Ca 0.05 -1.19 -0.08 0.00 0.02 0.00 0.00 55.97 54.77 2a5k s LYS 102 Cb 0.02 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 2a5k s LYS 102 CO -0.10 -0.06 0.08 -0.06 -0.92 0.00 0.00 175.35 174.29 2a5k s PHE 103 N -3.42 3.24 0.07 3.18 2.99 -1.26 -1.17 117.98 121.61 2a5k s PHE 103 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 56.93 57.08 2a5k s PHE 103 Cb 0.04 -2.13 -0.03 0.00 0.00 0.00 0.00 43.02 40.90 2a5k s PHE 103 CO -0.06 0.07 -0.14 0.14 -0.00 0.00 0.00 175.22 175.23 2a5k s VAL 104 N 0.66 1.10 -0.26 -0.44 -7.23 -0.57 -4.95 120.40 108.70 2a5k s VAL 104 Ca 0.04 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2a5k s VAL 104 Cb -0.13 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 2a5k s VAL 104 CO 0.01 -0.26 0.25 -0.60 -0.31 0.00 0.00 175.10 174.20 2a5k s ARG 105 N -1.84 4.01 0.51 4.82 3.52 -1.26 -4.19 118.95 124.51 2a5k s ARG 105 Ca -0.01 -0.16 -0.05 0.00 -0.13 0.00 0.00 55.73 55.37 2a5k s ARG 105 Cb -0.09 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2a5k s ARG 105 CO 0.02 -0.15 0.81 -1.50 -0.81 0.00 0.00 175.30 173.67 2a5k s ILE 106 N 1.69 4.48 0.25 4.11 1.10 -1.26 -5.09 121.20 126.48 2a5k s ILE 106 Ca 0.10 0.09 0.11 0.00 -0.51 0.00 0.00 60.65 60.44 2a5k s ILE 106 Cb -0.15 -3.72 -0.05 0.00 0.15 0.00 0.00 42.46 38.69 2a5k s ILE 106 CO 0.09 -0.70 -0.17 -1.10 -2.11 0.00 0.00 174.94 170.96 2a5k s GLN 107 N -4.80 1.78 0.35 3.50 -1.52 -1.26 -5.05 119.66 112.67 2a5k s GLN 107 Ca 0.49 -1.63 -0.28 0.00 -1.95 0.00 0.00 55.36 51.99 2a5k s GLN 107 Cb -0.10 -1.88 -0.11 0.00 -0.22 0.00 0.00 33.01 30.69 2a5k s GLN 107 CO 0.44 0.36 1.46 -2.30 -0.25 0.00 0.00 175.29 175.00 2a5k n PRO 108 N -0.46 2.54 0.00 2.91 -0.02 -1.26 -1.48 135.00 137.23 2a5k n PRO 108 Ca -0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2a5k n PRO 108 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.81 3.36 3.80 -1.23 0.00 0.16 -4.93 105.19 107.16 2a5k n GLY 109 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.74 3.78 0.21 1.61 -0.21 -0.55 -4.76 119.66 119.01 2a5k s GLN 110 Ca 0.00 1.35 0.07 0.00 0.02 0.00 0.00 55.36 56.80 2a5k s GLN 110 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 2a5k s GLN 110 CO 0.00 -0.44 0.11 0.95 -2.12 0.00 0.00 175.29 173.79 2a5k s THR 111 N -2.00 4.18 0.19 -0.19 -4.23 -1.26 -1.44 115.64 110.88 2a5k s THR 111 Ca 0.67 -1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 2a5k s THR 111 Cb -0.16 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.53 2a5k s THR 111 CO 0.21 -0.23 0.53 0.72 -0.54 0.00 0.00 174.62 175.30 2a5k s PHE 112 N -1.96 -0.18 0.14 3.99 -0.12 0.04 -4.89 117.98 115.01 2a5k s PHE 112 Ca 0.31 -0.15 -0.09 0.00 -0.05 0.00 0.00 56.93 56.95 2a5k s PHE 112 Cb -0.09 0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 42.65 2a5k s PHE 112 CO 0.22 -0.90 0.45 -1.12 -0.05 0.00 0.00 175.22 173.82 2a5k s SER 113 N -2.85 6.62 -0.09 1.98 0.01 -0.01 -0.92 113.70 118.45 2a5k s SER 113 Ca 0.08 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.18 2a5k s SER 113 Cb -0.01 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 2a5k s SER 113 CO -0.04 0.08 -0.21 -0.69 0.41 0.00 0.00 173.24 172.78 2a5k s VAL 114 N -1.57 2.40 -0.38 3.43 1.01 0.24 -0.82 120.40 124.72 2a5k s VAL 114 Ca 0.39 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 2a5k s VAL 114 Cb -0.13 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2a5k s VAL 114 CO 0.20 0.56 0.23 -0.22 0.00 0.00 0.00 175.10 175.88 2a5k s LEU 115 N 0.07 4.82 -0.18 3.92 2.96 -0.63 -1.83 118.68 127.81 2a5k s LEU 115 Ca -0.09 -0.94 -0.24 0.00 -0.22 0.00 0.00 54.13 52.64 2a5k s LEU 115 Cb -0.15 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2a5k s LEU 115 CO 0.06 -0.40 0.78 0.00 -1.32 0.00 0.00 176.35 175.47 2a5k s ALA 116 N 1.60 3.53 0.15 5.97 0.00 0.13 -3.74 121.76 129.39 2a5k s ALA 116 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.02 2a5k s ALA 116 Cb -0.19 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2a5k s ALA 116 CO 0.08 -0.65 -0.18 0.00 0.00 0.00 0.00 175.76 175.01 2a5k s TYR 118 N -1.90 1.07 -1.31 0.00 2.02 -0.03 -4.08 117.35 113.12 2a5k s TYR 118 Ca 0.13 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2a5k s TYR 118 Cb -0.06 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 2a5k s TYR 118 CO 0.05 -0.32 1.08 0.09 -1.57 0.00 0.00 175.55 174.89 2a5k n ASN 119 N 4.43 -4.42 -0.94 2.29 3.02 -1.26 -1.29 115.26 117.08 2a5k n ASN 119 Ca -0.18 -0.60 -0.12 0.00 -0.03 0.00 0.00 54.58 53.65 2a5k n ASN 119 Cb 0.51 -4.93 -0.05 0.00 -0.61 0.00 0.00 39.78 34.69 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 -1.65 1.16 3.36 7.41 0.00 -1.26 -4.60 105.19 109.60 2a5k n GLY 120 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.43 4.47 0.15 1.61 0.01 -0.41 -4.35 113.70 112.75 2a5k s SER 121 Ca 0.00 -0.33 -0.34 0.00 1.31 0.00 0.00 55.95 56.59 2a5k s SER 121 Cb 0.00 -1.77 -0.14 0.00 0.21 0.00 0.00 66.02 64.33 2a5k s SER 121 CO 0.00 0.01 1.60 -2.65 0.41 0.00 0.00 173.24 172.61 2a5k n PRO 122 N 4.59 2.15 -0.03 12.44 -0.02 -1.26 -0.85 135.00 152.02 2a5k n PRO 122 Ca -0.18 0.78 -0.04 0.00 -2.02 0.00 0.00 63.50 62.04 2a5k n PRO 122 Cb 0.51 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.61 3.55 -3.66 2.55 2.88 0.32 -4.89 113.62 117.99 2a5k n SER 123 Ca 0.17 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2a5k n SER 123 Cb 0.29 -0.08 -0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -4.54 -0.32 -0.02 0.46 0.00 -0.96 -4.97 107.32 96.97 2a5k s GLY 124 Ca -0.08 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.09 2a5k s GLY 124 CO 0.14 0.55 -0.06 0.54 0.00 0.00 0.00 173.10 174.26 2a5k s VAL 125 N -2.63 0.54 0.19 1.40 0.11 -1.26 0.17 120.40 118.92 2a5k s VAL 125 Ca 0.15 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.82 2a5k s VAL 125 Cb 0.02 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 2a5k s VAL 125 CO -0.01 0.17 0.42 -0.72 -3.33 0.00 0.00 175.10 171.63 2a5k s TYR 126 N 0.12 0.16 -0.09 1.54 -0.85 -0.76 -4.96 117.35 112.50 2a5k s TYR 126 Ca -0.01 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2a5k s TYR 126 Cb -0.06 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 2a5k s TYR 126 CO -0.00 -0.86 -0.08 -1.14 -1.52 0.00 0.00 175.55 171.95 2a5k s GLN 127 N -3.93 3.01 0.00 -3.49 -0.44 -1.26 0.83 119.66 114.37 2a5k s GLN 127 Ca 0.14 -0.58 0.00 0.00 -2.50 0.00 0.00 55.36 52.42 2a5k s GLN 127 Cb 0.01 -2.63 -0.00 0.00 -1.64 0.00 0.00 33.01 28.74 2a5k s GLN 127 CO 0.00 0.50 0.00 0.00 0.50 0.00 0.00 175.29 176.29 2a5k s ALA 129 N -1.84 0.89 -0.27 0.00 0.00 -1.26 -0.78 121.76 118.50 2a5k s ALA 129 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 2a5k s ALA 129 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2a5k s ALA 129 CO 0.00 0.15 1.82 1.41 0.00 0.00 0.00 175.76 179.13 2a5k s MET 130 N -1.03 3.47 0.84 0.00 1.75 -0.52 -4.45 119.30 119.36 2a5k s MET 130 Ca -0.01 1.63 -0.12 0.00 -1.25 0.00 0.00 55.69 55.95 2a5k s MET 130 Cb -0.07 -4.18 0.10 0.00 2.84 0.00 0.00 34.83 33.52 2a5k s MET 130 CO 0.01 -1.70 1.16 1.03 -0.65 0.00 0.00 175.02 174.87 2a5k s ARG 131 N 5.43 1.49 0.54 4.11 1.81 0.20 0.40 118.95 132.94 2a5k s ARG 131 Ca 0.81 1.58 0.25 0.00 -1.72 0.00 0.00 55.73 56.66 2a5k s ARG 131 Cb -0.26 -1.78 1.44 0.00 -0.45 0.00 0.00 34.95 33.90 2a5k s ARG 131 CO 0.33 -2.29 2.02 -1.35 -0.68 0.00 0.00 175.30 173.33 2a5k h PRO 132 N -1.30 0.00 -0.58 3.54 0.11 -1.86 -0.27 132.00 131.63 2a5k h PRO 132 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2a5k h PRO 132 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2a5k h PRO 132 CO 0.45 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.51 2a5k n ASN 133 N -4.24 3.25 -0.23 -2.05 6.94 -1.26 -4.92 115.26 112.74 2a5k n ASN 133 Ca 0.07 -2.21 -0.02 0.00 -0.02 0.00 0.00 54.58 52.40 2a5k n ASN 133 Cb 0.52 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.82 -0.06 -4.55 -2.53 8.25 -0.11 -4.69 115.22 112.35 2a5k n HIS 134 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.37 2a5k n HIS 134 Cb 0.59 -1.09 -0.10 0.00 1.12 0.00 0.00 29.99 30.50 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 -2.11 2.11 0.07 1.59 -4.23 -1.26 -4.45 115.64 107.37 2a5k s THR 135 Ca 0.00 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2a5k s THR 135 Cb 0.00 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 2a5k s THR 135 CO 0.00 -0.06 -0.22 0.27 -0.54 0.00 0.00 174.62 174.07 2a5k s ILE 136 N -2.67 1.81 -1.21 2.99 -4.36 -0.92 0.60 121.20 117.46 2a5k s ILE 136 Ca 0.35 -1.39 -0.14 0.00 -0.26 0.00 0.00 60.65 59.21 2a5k s ILE 136 Cb 0.07 -1.60 0.16 0.00 1.25 0.00 0.00 42.46 42.34 2a5k s ILE 136 CO 0.18 0.14 1.45 -0.54 0.24 0.00 0.00 174.94 176.41 2a5k s LYS 137 N -1.49 4.06 0.00 0.37 1.02 -1.26 -1.76 119.74 120.68 2a5k s LYS 137 Ca 0.09 -2.49 0.00 0.00 0.02 0.00 0.00 55.97 53.59 2a5k s LYS 137 Cb -0.09 -5.11 0.00 0.00 -0.52 0.00 0.00 37.83 32.11 2a5k s LYS 137 CO 0.03 -1.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.05 2a5k n GLY 138 N 4.30 2.05 2.66 -3.33 0.00 -1.26 -4.95 105.19 104.66 2a5k n GLY 138 Ca 0.37 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.96 2.44 0.01 1.61 0.15 -1.26 -4.97 113.70 110.71 2a5k s SER 139 Ca 0.00 -0.90 -0.02 0.00 0.70 0.00 0.00 55.95 55.73 2a5k s SER 139 Cb 0.00 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2a5k s SER 139 CO 0.00 -0.40 0.02 -0.36 1.20 0.00 0.00 173.24 173.70 2a5k s PHE 140 N 2.24 0.12 0.35 3.44 2.99 -1.26 -5.00 117.98 120.85 2a5k s PHE 140 Ca 0.08 -0.25 0.05 0.00 0.00 0.00 0.00 56.93 56.81 2a5k s PHE 140 Cb -0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 43.02 42.70 2a5k s PHE 140 CO -0.31 -0.15 0.04 -0.51 -0.00 0.00 0.00 175.22 174.30 2a5k s LEU 141 N -0.96 2.38 0.23 -0.37 1.43 -1.26 -5.05 118.68 115.09 2a5k s LEU 141 Ca -0.10 -1.37 -0.32 0.00 -1.03 0.00 0.00 54.13 51.30 2a5k s LEU 141 Cb -0.06 -0.53 -0.13 0.00 0.03 0.00 0.00 46.19 45.50 2a5k s LEU 141 CO -0.00 -0.56 1.57 -3.20 0.23 0.00 0.00 176.35 174.38 2a5k n ASN 142 N -0.77 3.39 0.00 2.29 4.05 -1.26 -1.93 115.26 121.03 2a5k n ASN 142 Ca -0.03 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.11 2a5k n ASN 142 Cb 0.67 -1.50 0.00 0.00 1.23 0.00 0.00 39.78 40.17 2a5k n ASN 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2a5k n GLY 143 N 2.84 0.34 0.14 8.20 0.00 -1.26 -4.97 105.19 110.47 2a5k n GLY 143 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.67 1.61 4.64 -1.53 -3.38 113.55 111.22 2a5k h SER 144 Ca 0.00 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.74 2a5k h SER 144 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.20 2a5k h SER 144 CO 0.00 0.01 0.66 0.00 -0.87 0.00 0.00 176.83 176.64 2a5k n GLY 146 N 0.59 2.49 3.69 0.00 0.00 0.15 -1.78 105.19 110.33 2a5k n GLY 146 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2a5k n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a5k n SER 147 N 0.00 2.03 -4.42 1.61 7.64 0.05 -4.50 113.62 116.02 2a5k n SER 147 Ca 0.00 0.97 -0.23 0.00 1.01 0.00 0.00 58.87 60.62 2a5k n SER 147 Cb 0.00 -1.49 -0.10 0.00 -1.01 0.00 0.00 64.21 61.61 2a5k n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2a5k s VAL 148 N -1.32 2.22 0.04 0.44 -7.23 -1.25 -0.39 120.40 112.91 2a5k s VAL 148 Ca 0.70 -2.28 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2a5k s VAL 148 Cb -0.45 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2a5k s VAL 148 CO 0.51 -0.41 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.87 2a5k s GLY 149 N -3.30 1.56 0.23 2.32 0.00 -0.12 -1.60 107.32 106.41 2a5k s GLY 149 Ca 0.26 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.60 2a5k s GLY 149 CO 0.12 -1.09 0.59 -0.11 0.00 0.00 0.00 173.10 172.61 2a5k s PHE 150 N -0.92 -0.09 0.19 1.90 -0.12 0.00 -0.85 117.98 118.09 2a5k s PHE 150 Ca 0.14 -0.28 0.10 0.00 -0.05 0.00 0.00 56.93 56.84 2a5k s PHE 150 Cb -0.10 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2a5k s PHE 150 CO 0.05 -1.04 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.18 2a5k s ASN 151 N -2.91 3.05 -0.25 1.98 0.01 -0.26 -0.83 114.94 115.72 2a5k s ASN 151 Ca 0.12 -0.90 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 2a5k s ASN 151 Cb -0.03 -0.21 0.05 0.00 0.41 0.00 0.00 41.25 41.47 2a5k s ASN 151 CO 0.02 0.02 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.90 2a5k s ILE 152 N -2.06 2.38 -0.40 0.60 1.01 -1.26 -0.56 121.20 120.91 2a5k s ILE 152 Ca 0.20 -1.42 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 2a5k s ILE 152 Cb -0.06 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.11 2a5k s ILE 152 CO 0.09 0.06 0.28 -0.62 0.00 0.00 0.00 174.94 174.76 2a5k s ASP 153 N 1.18 6.06 0.00 3.58 3.68 -0.62 -4.87 116.67 125.68 2a5k s ASP 153 Ca -0.05 -0.89 0.00 0.00 2.13 0.00 0.00 52.55 53.74 2a5k s ASP 153 Cb -0.19 -2.14 0.00 0.00 -1.45 0.00 0.00 42.92 39.14 2a5k s ASP 153 CO -0.05 -0.43 0.00 -1.22 0.13 0.00 0.00 175.17 173.60 2a5k n TYR 154 N 5.14 0.00 -1.41 -5.34 0.53 -1.26 -1.44 117.16 113.38 2a5k n TYR 154 Ca -0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 2a5k n TYR 154 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.78 2a5k n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 2a5k n ASP 155 N 0.08 0.00 -4.50 7.72 5.75 -1.26 -5.07 116.55 119.28 2a5k n ASP 155 Ca 0.00 -1.00 -0.38 0.00 -0.01 0.00 0.00 54.79 53.40 2a5k n ASP 155 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.67 4.46 -0.54 0.00 1.01 -0.41 -1.58 120.40 125.01 2a5k s VAL 157 Ca 0.06 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 2a5k s VAL 157 Cb -0.16 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.02 2a5k s VAL 157 CO 0.08 -0.34 0.62 -0.44 0.00 0.00 0.00 175.10 175.01 2a5k s SER 158 N 1.75 6.19 -0.01 3.32 0.01 0.27 -0.84 113.70 124.40 2a5k s SER 158 Ca 0.48 -1.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 2a5k s SER 158 Cb -0.15 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2a5k s SER 158 CO 0.14 -0.96 1.10 -0.36 0.41 0.00 0.00 173.24 173.57 2a5k s PHE 159 N 2.44 3.47 0.00 2.43 0.08 -0.32 -1.11 117.98 124.97 2a5k s PHE 159 Ca 0.11 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.61 2a5k s PHE 159 Cb -0.23 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2a5k s PHE 159 CO 0.08 -0.73 0.00 0.00 -0.10 0.00 0.00 175.22 174.47 2a5k s TYR 161 N -1.75 -0.06 0.00 0.00 5.04 -1.02 -4.25 117.35 115.31 2a5k s TYR 161 Ca 0.00 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 2a5k s TYR 161 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 41.96 42.31 2a5k s TYR 161 CO 0.00 -0.13 -0.08 1.41 -1.34 0.00 0.00 175.55 175.41 2a5k s MET 162 N -0.41 0.61 -0.11 4.97 -2.45 0.87 -0.95 119.30 121.83 2a5k s MET 162 Ca -0.05 -0.34 -0.22 0.00 -1.25 0.00 0.00 55.69 53.83 2a5k s MET 162 Cb -0.03 -0.57 -0.03 0.00 1.25 0.00 0.00 34.83 35.45 2a5k s MET 162 CO 0.00 0.15 0.66 -1.58 1.05 0.00 0.00 175.02 175.30 2a5k s HIS 163 N -0.33 3.51 -0.08 4.11 2.46 0.48 -1.43 115.29 124.01 2a5k s HIS 163 Ca 0.01 1.12 -0.01 0.00 0.47 0.00 0.00 55.06 56.66 2a5k s HIS 163 Cb -0.04 -2.78 -0.04 0.00 -0.13 0.00 0.00 32.58 29.59 2a5k s HIS 163 CO -0.00 0.02 -0.08 0.72 -2.47 0.00 0.00 174.74 172.93 2a5k n HIS 164 N 4.14 0.00 -3.99 3.88 8.25 -0.96 0.33 115.22 126.87 2a5k n HIS 164 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2a5k n HIS 164 Cb 0.51 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.15 0.34 -0.18 -0.41 -1.94 -0.11 -4.89 119.30 109.97 2a5k s MET 165 Ca -0.10 -0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 53.20 2a5k s MET 165 Cb 0.03 0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.98 2a5k s MET 165 CO 0.16 -0.06 -0.07 -2.00 -0.01 0.00 0.00 175.02 173.04 2a5k s GLU 166 N -1.66 3.43 0.48 2.03 2.12 -1.26 -0.88 118.70 122.95 2a5k s GLU 166 Ca -0.14 -0.63 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 2a5k s GLU 166 Cb -0.08 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 2a5k s GLU 166 CO -0.02 0.02 0.95 -0.51 -0.54 0.00 0.00 175.26 175.16 2a5k s LEU 167 N 0.90 3.73 0.65 2.70 1.43 0.27 -4.94 118.68 123.41 2a5k s LEU 167 Ca -0.01 1.55 0.21 0.00 -1.03 0.00 0.00 54.13 54.84 2a5k s LEU 167 Cb -0.15 -4.46 1.09 0.00 0.03 0.00 0.00 46.19 42.71 2a5k s LEU 167 CO 0.01 -0.51 1.61 -0.65 0.23 0.00 0.00 176.35 177.04 2a5k h PRO 168 N 1.21 0.00 -0.01 1.29 0.11 -1.86 0.35 132.00 133.09 2a5k h PRO 168 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a5k h PRO 168 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2a5k h PRO 168 CO 0.62 0.00 -0.02 0.25 -0.21 0.00 0.00 178.00 178.64 2a5k n THR 169 N -2.89 0.00 -0.85 -1.15 -2.24 -1.26 -4.89 114.28 101.00 2a5k n THR 169 Ca 0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2a5k n THR 169 Cb 0.66 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.12 0.71 3.73 3.38 0.00 0.12 -5.08 105.19 109.18 2a5k n GLY 170 Ca 0.20 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 2.78 -0.01 1.61 -7.23 -1.24 -4.61 120.40 109.71 2a5k s VAL 171 Ca 0.00 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2a5k s VAL 171 Cb 0.00 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 2a5k s VAL 171 CO 0.00 -0.13 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.45 2a5k s HIS 172 N -2.48 2.49 0.14 2.82 0.09 -0.72 0.95 115.29 118.58 2a5k s HIS 172 Ca 0.39 -0.31 0.09 0.00 -0.00 0.00 0.00 55.06 55.22 2a5k s HIS 172 Cb -0.01 -1.52 -0.04 0.00 -0.00 0.00 0.00 32.58 31.01 2a5k s HIS 172 CO 0.23 0.10 -0.14 0.00 -0.00 0.00 0.00 174.74 174.93 2a5k s ALA 173 N -0.73 2.82 0.04 -1.40 0.00 -0.06 -2.16 121.76 120.27 2a5k s ALA 173 Ca 0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2a5k s ALA 173 Cb -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2a5k s ALA 173 CO 0.01 0.56 0.17 0.41 0.00 0.00 0.00 175.76 176.90 2a5k n GLY 174 N 0.50 1.32 3.40 0.00 0.00 -1.26 -0.94 105.19 108.21 2a5k n GLY 174 Ca -0.13 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.56 1.10 0.80 2.61 -4.23 -0.51 -0.90 115.64 111.94 2a5k s THR 175 Ca 0.04 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 2a5k s THR 175 Cb -0.01 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.34 2a5k s THR 175 CO 0.01 -0.10 1.11 1.51 -0.54 0.00 0.00 174.62 176.61 2a5k s ASP 176 N -3.41 4.02 0.00 3.99 1.47 -0.83 -0.09 116.67 121.82 2a5k s ASP 176 Ca 0.34 0.01 0.12 0.00 1.18 0.00 0.00 52.55 54.21 2a5k s ASP 176 Cb 0.07 -0.33 0.72 0.00 -0.34 0.00 0.00 42.92 43.05 2a5k s ASP 176 CO 0.13 -2.10 1.39 0.18 0.68 0.00 0.00 175.17 175.45 2a5k n LEU 177 N -3.17 0.00 -0.89 2.11 7.99 -1.26 -0.51 117.00 121.27 2a5k n LEU 177 Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.26 2a5k n LEU 177 Cb 0.60 0.00 0.18 0.00 -0.11 0.00 0.00 43.42 44.10 2a5k n LEU 177 CO 0.45 0.00 0.68 -0.62 -1.51 0.00 0.00 177.39 176.39 2a5k n GLU 178 N -0.71 2.23 -0.62 3.23 1.02 -1.26 -4.99 120.64 119.54 2a5k n GLU 178 Ca 0.09 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 2a5k n GLU 178 Cb 0.04 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.33 0.64 3.60 0.62 0.00 0.33 -4.35 105.19 107.37 2a5k n GLY 179 Ca 0.15 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.94 3.98 0.43 1.61 -0.14 -1.25 -1.00 119.74 122.41 2a5k s LYS 180 Ca 0.00 0.10 -0.24 0.00 -1.36 0.00 0.00 55.97 54.47 2a5k s LYS 180 Cb 0.00 -3.68 -0.10 0.00 -1.68 0.00 0.00 37.83 32.37 2a5k s LYS 180 CO 0.00 -0.35 1.00 1.19 -0.76 0.00 0.00 175.35 176.43 2a5k n PHE 181 N 5.45 1.12 -2.72 3.18 3.01 -1.26 -1.97 117.46 124.27 2a5k n PHE 181 Ca -0.07 0.55 -0.41 0.00 1.01 0.00 0.00 57.45 58.53 2a5k n PHE 181 Cb 0.50 -2.22 -0.04 0.00 -0.01 0.00 0.00 39.48 37.71 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 -1.29 3.77 0.00 1.38 2.02 -0.08 -4.87 117.35 118.28 2a5k s TYR 182 Ca 0.64 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 59.11 2a5k s TYR 182 Cb -0.55 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 2a5k s TYR 182 CO 0.56 0.14 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 2a5k n GLY 183 N 2.44 -0.91 1.85 0.71 0.00 -1.26 -4.31 105.19 103.71 2a5k n GLY 183 Ca 0.03 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.81 1.80 -3.15 1.61 -0.04 -1.26 -4.94 135.00 128.20 2a5k n PRO 184 Ca 0.00 -1.61 -0.25 0.00 -0.04 0.00 0.00 63.50 61.60 2a5k n PRO 184 Cb 0.00 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.85 3.52 0.11 0.54 0.08 -1.26 -5.07 117.98 114.05 2a5k s PHE 185 Ca 0.31 0.52 0.04 0.00 0.12 0.00 0.00 56.93 57.92 2a5k s PHE 185 Cb 0.25 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2a5k s PHE 185 CO 0.01 0.01 -0.11 0.14 -0.10 0.00 0.00 175.22 175.17 2a5k s VAL 186 N -2.43 1.03 -1.37 -0.44 -7.23 -1.26 -4.84 120.40 103.87 2a5k s VAL 186 Ca 0.43 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 2a5k s VAL 186 Cb -0.10 -1.47 0.09 0.00 0.56 0.00 0.00 36.38 35.47 2a5k s VAL 186 CO 0.38 -0.57 2.24 -0.90 -0.31 0.00 0.00 175.10 175.94 2a5k n ASP 187 N 0.43 6.24 -3.88 4.85 5.75 -1.26 -4.82 116.55 123.87 2a5k n ASP 187 Ca -0.15 -3.00 -0.11 0.00 -0.01 0.00 0.00 54.79 51.52 2a5k n ASP 187 Cb 0.58 -1.49 -0.12 0.00 -1.03 0.00 0.00 41.12 39.06 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 0.69 0.19 -1.05 0.11 1.70 -1.26 -4.92 118.95 114.41 2a5k s ARG 188 Ca 0.49 -0.12 -0.21 0.00 -0.47 0.00 0.00 55.73 55.43 2a5k s ARG 188 Cb 0.14 0.08 0.08 0.00 -0.57 0.00 0.00 34.95 34.68 2a5k s ARG 188 CO -0.05 -0.03 1.42 -0.65 -1.08 0.00 0.00 175.30 174.90 2a5k s GLN 189 N -0.49 3.68 -0.07 3.89 -0.21 -0.57 -4.87 119.66 121.03 2a5k s GLN 189 Ca -0.06 -1.48 -0.07 0.00 0.02 0.00 0.00 55.36 53.77 2a5k s GLN 189 Cb -0.04 -5.27 0.02 0.00 1.00 0.00 0.00 33.01 28.72 2a5k s GLN 189 CO 0.00 -2.09 0.20 -0.08 -2.12 0.00 0.00 175.29 171.20 2a5k s THR 190 N 4.14 0.01 0.12 -0.19 -1.32 -1.26 -4.37 115.64 112.76 2a5k s THR 190 Ca 0.44 -0.06 -0.35 0.00 -1.21 0.00 0.00 61.69 60.50 2a5k s THR 190 Cb -0.01 -0.30 -0.16 0.00 -1.51 0.00 0.00 72.50 70.52 2a5k s THR 190 CO -0.07 -0.04 1.29 0.00 -2.21 0.00 0.00 174.62 173.60 2a5k n ALA 191 N 2.82 -0.78 -3.65 11.08 0.00 -1.26 -4.91 120.51 123.81 2a5k n ALA 191 Ca -0.14 0.49 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 2a5k n ALA 191 Cb 0.58 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 2a5k n ALA 191 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2a5k s GLN 192 N 0.19 0.08 0.05 0.00 -2.07 -1.26 -5.14 119.66 111.51 2a5k s GLN 192 Ca 0.80 0.08 -0.09 0.00 -1.82 0.00 0.00 55.36 54.33 2a5k s GLN 192 Cb -0.90 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.06 2a5k s GLN 192 CO 0.48 -0.01 0.19 0.00 -1.32 0.00 0.00 175.29 174.63 2a5k s ALA 193 N -0.14 -0.31 0.10 2.60 0.00 -1.26 -4.74 121.76 118.01 2a5k s ALA 193 Ca 0.07 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2a5k s ALA 193 Cb -0.04 0.34 -0.11 0.00 0.00 0.00 0.00 23.12 23.31 2a5k s ALA 193 CO -0.14 -0.41 1.84 0.00 0.00 0.00 0.00 175.76 177.05 2a5k n ALA 194 N 0.45 2.01 -0.32 0.00 0.00 -1.26 -4.99 120.51 116.40 2a5k n ALA 194 Ca -0.18 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2a5k n ALA 194 Cb 0.60 -2.58 0.29 0.00 0.00 0.00 0.00 19.45 17.75 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 4.23 -3.25 3.77 0.00 0.00 -1.26 -4.96 105.19 103.72 2a5k n GLY 195 Ca 0.18 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2a5k n GLY 195 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5k s THR 196 N -2.22 2.12 0.20 2.61 2.01 -1.26 -4.93 115.64 114.17 2a5k s THR 196 Ca 0.68 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.83 2a5k s THR 196 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2a5k s THR 196 CO 0.60 0.02 0.33 -0.62 -0.69 0.00 0.00 174.62 174.27 2a5k s ASP 197 N -0.30 6.33 0.39 3.53 3.68 -1.26 -4.67 116.67 124.37 2a5k s ASP 197 Ca 0.55 0.16 0.08 0.00 2.13 0.00 0.00 52.55 55.47 2a5k s ASP 197 Cb -0.45 -1.90 -0.06 0.00 -1.45 0.00 0.00 42.92 39.06 2a5k s ASP 197 CO 0.60 -0.02 0.10 0.42 0.13 0.00 0.00 175.17 176.40 2a5k s THR 198 N -1.87 2.33 0.07 1.71 -4.23 -1.26 -5.00 115.64 107.38 2a5k s THR 198 Ca 0.35 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.80 2a5k s THR 198 Cb -0.10 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2a5k s THR 198 CO 0.29 -0.05 0.67 -0.89 -0.54 0.00 0.00 174.62 174.09 2a5k s THR 199 N -2.60 4.69 -1.22 3.99 2.01 -0.50 -4.66 115.64 117.35 2a5k s THR 199 Ca 0.38 1.43 -0.19 0.00 0.31 0.00 0.00 61.69 63.62 2a5k s THR 199 Cb 0.04 -4.01 0.08 0.00 0.01 0.00 0.00 72.50 68.62 2a5k s THR 199 CO 0.21 0.47 1.63 -0.63 -0.69 0.00 0.00 174.62 175.61 2a5k s ILE 200 N -0.67 4.19 0.36 1.82 1.01 -1.26 -0.88 121.20 125.76 2a5k s ILE 200 Ca 0.33 -1.73 0.18 0.00 0.00 0.00 0.00 60.65 59.42 2a5k s ILE 200 Cb -0.20 -5.13 0.34 0.00 0.01 0.00 0.00 42.46 37.48 2a5k s ILE 200 CO 0.21 -1.95 1.63 0.74 0.00 0.00 0.00 174.94 175.57 2a5k h THR 201 N 5.75 0.17 -0.44 2.92 2.02 -1.94 -0.77 112.91 120.62 2a5k h THR 201 Ca 0.37 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.49 2a5k h THR 201 Cb 0.91 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2a5k h THR 201 CO 1.42 0.03 0.29 0.25 0.37 0.00 0.00 175.52 177.88 2a5k h LEU 202 N 0.18 0.52 -0.44 2.58 5.85 -1.88 -1.01 115.31 121.10 2a5k h LEU 202 Ca 0.78 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.44 2a5k h LEU 202 Cb 1.94 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 2a5k h LEU 202 CO -0.66 0.39 0.12 0.78 -0.34 0.00 0.00 178.44 178.73 2a5k h ASN 203 N 0.60 0.66 -0.99 1.25 2.35 -1.38 -1.34 115.58 116.72 2a5k h ASN 203 Ca 0.16 -0.22 0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2a5k h ASN 203 Cb -0.05 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.07 2a5k h ASN 203 CO -0.03 0.70 0.62 0.58 -1.65 0.00 0.00 177.43 177.65 2a5k h VAL 204 N 0.58 0.97 -0.23 2.81 2.07 -0.93 0.02 116.25 121.53 2a5k h VAL 204 Ca 0.14 -0.35 -0.20 0.00 0.82 0.00 0.00 66.70 67.10 2a5k h VAL 204 Cb 0.29 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2a5k h VAL 204 CO -0.00 0.19 -0.65 -0.07 0.02 0.00 0.00 177.57 177.05 2a5k h LEU 205 N 1.03 0.96 -0.44 2.57 3.38 -1.00 -1.10 115.31 120.71 2a5k h LEU 205 Ca 0.47 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2a5k h LEU 205 Cb 0.38 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 2a5k h LEU 205 CO -0.24 1.37 -0.19 0.00 0.09 0.00 0.00 178.44 179.47 2a5k h ALA 206 N 0.64 0.15 -0.50 1.53 0.00 -0.59 -0.33 119.26 120.16 2a5k h ALA 206 Ca -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2a5k h ALA 206 Cb 1.27 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2a5k h ALA 206 CO 0.14 -0.54 0.30 2.35 0.00 0.00 0.00 179.25 181.50 2a5k h TRP 207 N -0.10 0.67 -0.88 0.00 7.01 -0.87 0.93 115.95 122.72 2a5k h TRP 207 Ca 0.21 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.26 2a5k h TRP 207 Cb 0.42 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.21 2a5k h TRP 207 CO -0.45 0.47 0.55 -0.07 -2.79 0.00 0.00 178.44 176.15 2a5k h LEU 208 N 0.67 0.89 -0.61 0.65 3.38 -0.90 0.13 115.31 119.52 2a5k h LEU 208 Ca 0.18 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2a5k h LEU 208 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2a5k h LEU 208 CO -0.03 0.58 0.16 1.88 0.09 0.00 0.00 178.44 181.11 2a5k h TYR 209 N 1.03 1.02 -0.45 1.13 0.05 0.60 -0.72 116.97 119.63 2a5k h TYR 209 Ca 0.37 -0.12 0.08 0.00 0.05 0.00 0.00 58.73 59.12 2a5k h TYR 209 Cb 0.12 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 37.50 2a5k h TYR 209 CO -0.02 0.86 0.00 0.00 -1.05 0.00 0.00 178.16 177.94 2a5k h ALA 210 N 1.05 0.42 0.13 3.88 0.00 -0.56 -0.72 119.26 123.46 2a5k h ALA 210 Ca 0.19 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2a5k h ALA 210 Cb 0.34 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2a5k h ALA 210 CO 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 179.25 178.56 2a5k h ALA 211 N 1.40 -0.52 0.00 0.00 0.00 0.22 0.18 119.26 120.54 2a5k h ALA 211 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2a5k h ALA 211 Cb 0.33 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2a5k h ALA 211 CO -0.37 -0.84 0.00 1.33 0.00 0.00 0.00 179.25 179.36 2a5k n VAL 212 N -5.41 0.23 -0.05 0.00 0.24 -0.20 -1.08 118.33 112.06 2a5k n VAL 212 Ca -0.07 0.06 -0.01 0.00 -2.04 0.00 0.00 64.34 62.27 2a5k n VAL 212 Cb 0.32 -0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2a5k n VAL 212 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2a5k h ILE 213 N 0.00 0.00 0.00 1.34 2.04 0.67 -3.38 117.51 118.18 2a5k h ILE 213 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2a5k h ILE 213 Cb 0.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2a5k h ILE 213 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 2a5k n ASN 214 N -4.52 0.00 0.00 1.72 3.02 0.40 -4.78 115.26 111.10 2a5k n ASN 214 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2a5k n ASN 214 Cb 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.97 1.33 3.67 7.41 0.00 -0.74 -3.20 105.19 112.68 2a5k n GLY 215 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.62 6.72 0.00 1.61 1.01 -0.24 -4.79 116.67 120.36 2a5k s ASP 216 Ca 0.00 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.47 2a5k s ASP 216 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2a5k s ASP 216 CO 0.00 -0.86 0.00 -1.14 0.21 0.00 0.00 175.17 173.38 2a5k n ARG 217 N 6.47 0.00 0.29 8.23 0.63 -1.26 -1.04 116.66 129.98 2a5k n ARG 217 Ca 0.16 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.28 2a5k n ARG 217 Cb 0.43 -0.11 0.98 0.00 0.45 0.00 0.00 32.46 34.21 2a5k n ARG 217 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 2a5k h TRP 218 N 0.00 0.00 0.00 -0.14 5.08 -1.96 -3.01 115.95 115.92 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 0.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.37 2a5k h TRP 218 CO 0.00 0.00 -0.63 1.97 -1.28 0.00 0.00 178.44 178.50 2a5k n PHE 219 N -2.90 0.17 -1.87 0.12 1.16 -1.26 -4.86 117.46 108.02 2a5k n PHE 219 Ca -0.02 0.05 -0.41 0.00 -1.87 0.00 0.00 57.45 55.20 2a5k n PHE 219 Cb 0.12 -0.36 -0.02 0.00 -1.61 0.00 0.00 39.48 37.61 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 -3.42 4.36 0.16 5.98 1.43 -1.14 -4.74 118.68 121.31 2a5k s LEU 220 Ca 0.09 2.86 0.02 0.00 -1.03 0.00 0.00 54.13 56.06 2a5k s LEU 220 Cb 0.16 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2a5k s LEU 220 CO 0.73 -0.83 -0.01 0.54 0.23 0.00 0.00 176.35 177.00 2a5k s ASN 221 N 0.39 1.23 0.00 2.29 4.22 -1.26 -5.02 114.94 116.79 2a5k s ASN 221 Ca 0.61 -1.14 0.14 0.00 -2.14 0.00 0.00 52.86 50.33 2a5k s ASN 221 Cb -0.46 0.11 0.75 0.00 1.28 0.00 0.00 41.25 42.93 2a5k s ASN 221 CO 0.47 -0.54 1.38 0.54 -2.04 0.00 0.00 177.10 176.91 2a5k n ARG 222 N -0.21 0.23 -1.70 3.55 5.12 -1.26 -4.85 116.66 117.54 2a5k n ARG 222 Ca -0.07 0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.66 2a5k n ARG 222 Cb 0.63 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.47 2a5k n ARG 222 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2a5k s PHE 223 N -2.50 2.96 0.33 -1.55 2.99 -1.26 -5.10 117.98 113.85 2a5k s PHE 223 Ca 0.15 1.48 0.03 0.00 0.00 0.00 0.00 56.93 58.59 2a5k s PHE 223 Cb 0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 43.02 40.11 2a5k s PHE 223 CO 0.21 -1.30 0.11 0.95 -0.00 0.00 0.00 175.22 175.20 2a5k s THR 224 N -2.77 0.67 0.40 0.64 -4.23 -1.26 -4.77 115.64 104.31 2a5k s THR 224 Ca 0.61 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 2a5k s THR 224 Cb -0.16 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.17 2a5k s THR 224 CO 0.48 0.00 0.80 0.28 -0.54 0.00 0.00 174.62 175.64 2a5k s THR 225 N -3.46 0.00 -0.07 3.99 -1.32 -1.26 -4.86 115.64 108.66 2a5k s THR 225 Ca 0.33 -1.00 0.03 0.00 -1.21 0.00 0.00 61.69 59.85 2a5k s THR 225 Cb 0.06 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2a5k s THR 225 CO 0.15 0.00 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.52 2a5k s THR 226 N -2.13 2.89 0.07 5.08 2.01 -1.26 -4.89 115.64 117.41 2a5k s THR 226 Ca 0.16 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 2a5k s THR 226 Cb -0.05 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 2a5k s THR 226 CO 0.12 0.57 0.84 0.18 -0.69 0.00 0.00 174.62 175.64 2a5k n LEU 227 N 2.75 -0.49 -0.29 4.42 4.77 -1.26 0.49 117.00 127.39 2a5k n LEU 227 Ca -0.17 0.95 0.11 0.00 -0.03 0.00 0.00 56.01 56.87 2a5k n LEU 227 Cb 0.52 -0.17 0.25 0.00 -2.33 0.00 0.00 43.42 41.69 2a5k n LEU 227 CO 0.27 -0.74 0.89 -1.13 -1.33 0.00 0.00 177.39 175.35 2a5k h ASN 228 N 0.00 -0.17 0.09 -1.43 -0.73 -1.96 0.42 115.58 111.79 2a5k h ASN 228 Ca 0.07 0.21 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 2a5k h ASN 228 Cb 0.19 0.32 0.00 0.00 0.27 0.00 0.00 38.32 39.10 2a5k h ASN 228 CO -0.44 -0.19 -0.04 0.44 -0.37 0.00 0.00 177.43 176.83 2a5k h ASP 229 N 0.15 -0.10 -0.90 1.15 3.45 -0.43 -2.56 116.42 117.17 2a5k h ASP 229 Ca 0.52 -0.42 0.17 0.00 0.43 0.00 0.00 57.03 57.73 2a5k h ASP 229 Cb 1.02 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 39.71 2a5k h ASP 229 CO -0.70 0.40 0.47 0.15 -1.57 0.00 0.00 179.24 178.00 2a5k h PHE 230 N -0.65 0.82 -0.28 4.55 3.57 0.51 -2.85 116.94 122.61 2a5k h PHE 230 Ca -0.01 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2a5k h PHE 230 Cb 0.52 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2a5k h PHE 230 CO 0.09 0.14 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.25 2a5k h ASN 231 N 0.61 0.63 -1.01 0.41 2.35 -0.07 0.67 115.58 119.16 2a5k h ASN 231 Ca 0.52 -0.42 0.24 0.00 -0.55 0.00 0.00 56.30 56.09 2a5k h ASN 231 Cb 0.81 -0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.90 2a5k h ASN 231 CO -0.41 0.91 0.62 -0.07 -1.65 0.00 0.00 177.43 176.83 2a5k h LEU 232 N 0.35 0.65 0.07 1.61 3.38 -1.23 -0.07 115.31 120.05 2a5k h LEU 232 Ca 0.06 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2a5k h LEU 232 Cb 0.68 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2a5k h LEU 232 CO 0.05 0.14 -0.03 0.58 0.09 0.00 0.00 178.44 179.26 2a5k h VAL 233 N 0.58 1.23 -0.63 1.22 2.07 -1.21 -3.16 116.25 116.36 2a5k h VAL 233 Ca 0.62 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.90 2a5k h VAL 233 Cb 1.21 2.08 -0.12 0.00 -1.52 0.00 0.00 31.29 32.94 2a5k h VAL 233 CO -0.41 0.32 -0.18 0.00 0.02 0.00 0.00 177.57 177.32 2a5k h ALA 234 N 0.06 0.37 -0.01 1.67 0.00 -0.10 -0.71 119.26 120.55 2a5k h ALA 234 Ca -0.01 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2a5k h ALA 234 Cb 0.60 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2a5k h ALA 234 CO 0.02 -0.45 -0.13 0.52 0.00 0.00 0.00 179.25 179.21 2a5k h MET 235 N -0.02 0.01 0.00 0.00 2.07 -1.13 0.35 114.93 116.21 2a5k h MET 235 Ca 0.30 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.92 2a5k h MET 235 Cb 0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2a5k h MET 235 CO -0.66 0.14 0.00 1.63 1.07 0.00 0.00 176.91 179.09 2a5k n LYS 236 N -4.38 0.12 -0.33 1.72 4.01 -0.30 -3.04 118.16 115.97 2a5k n LYS 236 Ca -0.02 0.32 0.08 0.00 -0.51 0.00 0.00 58.31 58.17 2a5k n LYS 236 Cb 0.20 -1.72 0.21 0.00 -0.51 0.00 0.00 35.03 33.22 2a5k n LYS 236 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2a5k n TYR 237 N -1.95 0.71 -3.47 2.13 4.02 0.11 -4.95 117.16 113.76 2a5k n TYR 237 Ca 0.03 -0.77 -0.22 0.00 -0.01 0.00 0.00 57.90 56.93 2a5k n TYR 237 Cb 0.24 -0.21 0.07 0.00 -0.02 0.00 0.00 39.34 39.41 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 -0.31 -6.08 -4.77 7.72 5.15 -0.87 -4.88 115.26 111.22 2a5k n ASN 238 Ca 0.17 -0.48 -0.34 0.00 -0.60 0.00 0.00 54.58 53.33 2a5k n ASN 238 Cb 0.72 -4.72 -0.08 0.00 -0.53 0.00 0.00 39.78 35.17 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 -3.28 3.29 0.10 1.20 1.51 -0.37 -1.41 117.35 118.38 2a5k s TYR 239 Ca 0.52 0.25 -0.34 0.00 -1.01 0.00 0.00 57.07 56.49 2a5k s TYR 239 Cb -0.23 -1.78 -0.13 0.00 -0.11 0.00 0.00 41.96 39.71 2a5k s TYR 239 CO 0.65 0.55 1.70 0.39 -1.11 0.00 0.00 175.55 177.73 2a5k n GLU 240 N 1.55 2.27 -2.02 -0.62 1.02 -0.06 -3.93 120.64 118.84 2a5k n GLU 240 Ca -0.15 0.82 -0.40 0.00 -0.02 0.00 0.00 57.16 57.40 2a5k n GLU 240 Cb 0.53 -2.63 -0.01 0.00 -0.02 0.00 0.00 31.44 29.31 2a5k n GLU 240 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2a5k s PRO 241 N 1.96 4.20 0.26 3.49 0.04 -1.26 -4.47 135.00 139.22 2a5k s PRO 241 Ca 0.83 2.29 -0.29 0.00 0.04 0.00 0.00 61.00 63.86 2a5k s PRO 241 Cb -0.65 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 30.83 2a5k s PRO 241 CO 0.41 -0.35 0.96 -1.17 0.04 0.00 0.00 177.00 176.89 2a5k s LEU 242 N -2.03 4.57 0.47 -3.56 2.96 -1.26 -5.03 118.68 114.80 2a5k s LEU 242 Ca 0.52 1.96 0.07 0.00 -0.22 0.00 0.00 54.13 56.46 2a5k s LEU 242 Cb -0.41 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.58 2a5k s LEU 242 CO 0.54 0.07 0.39 0.42 -1.32 0.00 0.00 176.35 176.46 2a5k s THR 243 N -1.28 2.26 0.11 3.68 -4.23 -1.26 -5.00 115.64 109.92 2a5k s THR 243 Ca 0.44 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 2a5k s THR 243 Cb -0.25 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2a5k s THR 243 CO 0.31 0.00 1.61 -0.61 -0.54 0.00 0.00 174.62 175.39 2a5k h GLN 244 N 0.92 0.54 -0.34 3.99 5.75 -2.00 -2.86 115.11 121.12 2a5k h GLN 244 Ca -0.39 -0.13 0.10 0.00 -0.15 0.00 0.00 58.65 58.07 2a5k h GLN 244 Cb 1.28 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2a5k h GLN 244 CO 0.57 0.61 0.25 -0.44 -2.65 0.00 0.00 178.83 177.17 2a5k h ASP 245 N 0.39 0.00 -0.66 -0.69 3.45 -2.00 -1.94 116.42 114.97 2a5k h ASP 245 Ca 0.10 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 2a5k h ASP 245 Cb 0.31 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 2a5k h ASP 245 CO 0.00 0.00 0.27 0.45 -1.57 0.00 0.00 179.24 178.40 2a5k h HIS 246 N 0.00 1.00 0.00 4.55 3.86 -1.91 -2.65 115.15 119.99 2a5k h HIS 246 Ca 0.16 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 2a5k h HIS 246 Cb 0.65 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2a5k h HIS 246 CO 0.00 0.78 -0.34 0.28 0.86 0.00 0.00 177.93 179.51 2a5k h VAL 247 N 0.93 0.95 -0.01 2.45 2.07 -1.25 -2.94 116.25 118.44 2a5k h VAL 247 Ca 0.22 -1.29 -0.22 0.00 0.82 0.00 0.00 66.70 66.23 2a5k h VAL 247 Cb 0.19 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2a5k h VAL 247 CO -0.02 0.33 -0.90 0.44 0.02 0.00 0.00 177.57 177.44 2a5k h ASP 248 N 0.00 0.52 0.42 0.57 3.32 -1.12 -2.92 116.42 117.21 2a5k h ASP 248 Ca -0.00 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 2a5k h ASP 248 Cb 0.73 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2a5k h ASP 248 CO 0.04 1.19 -0.16 0.40 -1.72 0.00 0.00 179.24 178.99 2a5k h ILE 249 N 0.24 0.67 -0.26 0.35 2.04 -1.31 -3.06 117.51 116.18 2a5k h ILE 249 Ca -0.07 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2a5k h ILE 249 Cb 1.53 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 2a5k h ILE 249 CO 0.16 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.64 2a5k n LEU 250 N -3.70 1.90 0.02 1.44 4.77 -1.10 -4.52 117.00 115.82 2a5k n LEU 250 Ca -0.02 -0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 54.88 2a5k n LEU 250 Cb 0.28 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2a5k n LEU 250 CO 0.32 0.38 0.52 1.23 -1.33 0.00 0.00 177.39 178.50 2a5k h GLY 251 N 5.15 -0.12 -0.67 -0.72 0.00 -1.66 0.26 103.07 105.30 2a5k h GLY 251 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.44 2a5k h GLY 251 CO 0.06 -0.04 -0.40 -1.05 0.00 0.00 0.00 176.54 175.11 2a5k n PRO 252 N -4.88 -0.30 -0.25 4.80 -0.02 -1.26 0.26 135.00 133.35 2a5k n PRO 252 Ca -0.08 1.19 -0.07 0.00 -2.02 0.00 0.00 63.50 62.51 2a5k n PRO 252 Cb 0.28 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.06 2a5k n PRO 252 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2a5k h LEU 253 N 0.00 1.08 -0.99 2.45 3.38 -1.86 1.48 115.31 120.85 2a5k h LEU 253 Ca 0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2a5k h LEU 253 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2a5k h LEU 253 CO -0.63 1.04 0.16 -1.28 0.09 0.00 0.00 178.44 177.82 2a5k h SER 254 N 1.06 0.83 -0.04 -0.43 0.87 0.04 0.45 113.55 116.33 2a5k h SER 254 Ca 0.22 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2a5k h SER 254 Cb 0.41 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2a5k h SER 254 CO 0.01 0.80 -0.07 0.00 -0.53 0.00 0.00 176.83 177.04 2a5k h ALA 255 N 1.31 0.07 0.11 6.23 0.00 0.50 -1.55 119.26 125.93 2a5k h ALA 255 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a5k h ALA 255 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2a5k h ALA 255 CO -0.00 -0.11 -0.12 0.37 0.00 0.00 0.00 179.25 179.39 2a5k h GLN 256 N -0.37 -0.25 0.00 0.00 4.15 0.21 -3.09 115.11 115.77 2a5k h GLN 256 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2a5k h GLN 256 Cb 0.61 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2a5k h GLN 256 CO 0.02 -0.16 -0.13 0.25 -1.93 0.00 0.00 178.83 176.87 2a5k n THR 257 N -5.24 0.47 -1.75 2.39 -2.24 0.16 -4.93 114.28 103.14 2a5k n THR 257 Ca -0.07 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 2a5k n THR 257 Cb 0.16 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.34 0.43 3.04 3.38 0.00 -0.59 -5.01 105.19 107.78 2a5k n GLY 258 Ca 0.05 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.31 1.93 0.18 -0.61 1.01 -1.19 -5.07 121.20 115.14 2a5k s ILE 259 Ca 0.00 -1.32 -0.33 0.00 0.00 0.00 0.00 60.65 59.00 2a5k s ILE 259 Cb 0.00 -2.01 -0.15 0.00 0.01 0.00 0.00 42.46 40.31 2a5k s ILE 259 CO 0.00 0.09 1.31 0.00 0.00 0.00 0.00 174.94 176.34 2a5k n ALA 260 N 4.55 0.06 -0.31 9.38 0.00 -1.26 -4.59 120.51 128.35 2a5k n ALA 260 Ca -0.15 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.76 2a5k n ALA 260 Cb 0.45 -2.15 0.09 0.00 0.00 0.00 0.00 19.45 17.84 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 2.98 0.12 -0.37 0.00 2.07 -1.93 0.43 116.25 119.55 2a5k h VAL 261 Ca -0.45 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2a5k h VAL 261 Cb 1.31 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2a5k h VAL 261 CO 0.75 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 178.07 2a5k h LEU 262 N -0.02 0.70 -0.03 2.57 3.38 -1.93 0.08 115.31 120.07 2a5k h LEU 262 Ca 0.39 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2a5k h LEU 262 Cb 0.62 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2a5k h LEU 262 CO -0.89 0.89 -0.24 0.44 0.09 0.00 0.00 178.44 178.73 2a5k h ASP 263 N 0.62 -0.71 -0.64 -0.43 3.32 -1.36 -1.22 116.42 115.99 2a5k h ASP 263 Ca 0.09 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.31 2a5k h ASP 263 Cb 0.67 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 2a5k h ASP 263 CO 0.05 -0.30 0.42 -0.03 -1.72 0.00 0.00 179.24 177.66 2a5k h MET 264 N -0.36 0.62 -0.38 3.56 4.05 -0.27 -0.04 114.93 122.11 2a5k h MET 264 Ca 0.07 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2a5k h MET 264 Cb 0.46 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2a5k h MET 264 CO -0.23 0.41 0.13 0.00 0.23 0.00 0.00 176.91 177.45 2a5k h ALA 266 N 1.62 0.80 -0.22 0.00 0.00 0.19 0.44 119.26 122.08 2a5k h ALA 266 Ca 0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2a5k h ALA 266 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a5k h ALA 266 CO -0.01 0.86 -0.08 0.00 0.00 0.00 0.00 179.25 180.02 2a5k h ALA 267 N 1.23 0.31 0.12 0.00 0.00 -0.86 -2.33 119.26 117.74 2a5k h ALA 267 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2a5k h ALA 267 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2a5k h ALA 267 CO 0.10 0.12 -0.14 1.25 0.00 0.00 0.00 179.25 180.58 2a5k h LEU 268 N 0.17 -0.38 -0.98 0.00 6.46 -0.51 -1.37 115.31 118.68 2a5k h LEU 268 Ca 0.05 0.04 0.18 0.00 -0.12 0.00 0.00 57.88 58.03 2a5k h LEU 268 Cb 0.55 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.52 2a5k h LEU 268 CO 0.03 -0.22 0.59 0.50 -0.62 0.00 0.00 178.44 178.72 2a5k h LYS 269 N -0.30 0.74 -0.27 1.25 3.64 -0.12 0.45 116.57 121.95 2a5k h LYS 269 Ca 0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2a5k h LYS 269 Cb 0.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2a5k h LYS 269 CO -0.05 0.49 0.01 1.49 -2.27 0.00 0.00 179.45 179.12 2a5k h GLU 270 N 0.76 0.48 -0.76 1.90 4.81 -1.06 -2.33 114.58 118.38 2a5k h GLU 270 Ca 0.56 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2a5k h GLU 270 Cb 0.83 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2a5k h GLU 270 CO -0.37 0.63 0.50 -0.07 -0.73 0.00 0.00 179.01 178.97 2a5k h LEU 271 N 0.27 0.86 -0.61 1.64 3.38 0.16 0.04 115.31 121.05 2a5k h LEU 271 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2a5k h LEU 271 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2a5k h LEU 271 CO 0.01 0.62 0.19 -0.07 0.09 0.00 0.00 178.44 179.28 2a5k h LEU 272 N 1.01 0.89 -0.03 1.67 3.38 -1.05 0.46 115.31 121.64 2a5k h LEU 272 Ca 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2a5k h LEU 272 Cb -0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2a5k h LEU 272 CO -0.07 0.86 -0.36 0.00 0.09 0.00 0.00 178.44 178.96 2a5k n GLN 273 N -4.39 0.06 0.00 1.13 6.02 -0.73 -4.31 117.38 115.15 2a5k n GLN 273 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2a5k n GLN 273 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2a5k n GLN 273 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2a5k n ASN 274 N -1.45 0.09 -0.36 1.08 3.02 -0.08 -5.08 115.26 112.50 2a5k n ASN 274 Ca 0.06 -0.41 0.04 0.00 -0.03 0.00 0.00 54.58 54.25 2a5k n ASN 274 Cb 0.33 0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.71 2a5k n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5k n GLY 275 N 0.21 -2.07 0.33 7.41 0.00 0.15 -4.50 105.19 106.72 2a5k n GLY 275 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.52 0.85 -3.82 1.61 2.81 -1.26 -4.69 117.12 111.10 2a5k n MET 276 Ca 0.00 -0.67 -0.23 0.00 -1.81 0.00 0.00 57.70 54.99 2a5k n MET 276 Cb 0.13 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 2a5k n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2a5k n ASN 277 N -0.49 -0.77 0.00 7.83 4.13 -1.26 -3.17 115.26 121.53 2a5k n ASN 277 Ca 0.08 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.43 2a5k n ASN 277 Cb 0.42 -3.58 0.00 0.00 -1.54 0.00 0.00 39.78 35.08 2a5k n ASN 277 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a5k n GLY 278 N -1.77 1.55 3.11 7.41 0.00 -1.26 -4.98 105.19 109.25 2a5k n GLY 278 Ca -0.31 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 2a5k n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5k n ARG 279 N 0.00 -3.24 -4.30 1.61 1.74 -1.19 -4.99 116.66 106.30 2a5k n ARG 279 Ca 0.00 -0.96 -0.16 0.00 -0.77 0.00 0.00 57.85 55.96 2a5k n ARG 279 Cb 0.00 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 29.67 2a5k n ARG 279 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2a5k s THR 280 N -2.10 0.66 -0.09 0.55 -4.23 -1.26 -4.65 115.64 104.52 2a5k s THR 280 Ca 0.49 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2a5k s THR 280 Cb -0.09 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.32 2a5k s THR 280 CO 0.44 -0.18 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.63 2a5k s ILE 281 N -3.68 0.94 -1.44 2.99 1.01 -0.10 -4.77 121.20 116.16 2a5k s ILE 281 Ca 0.33 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 2a5k s ILE 281 Cb 0.07 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.63 2a5k s ILE 281 CO 0.10 0.34 0.63 0.18 0.00 0.00 0.00 174.94 176.19 2a5k n LEU 282 N 4.63 -2.26 0.00 2.97 4.77 -1.26 -1.13 117.00 124.72 2a5k n LEU 282 Ca -0.15 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2a5k n LEU 282 Cb 0.50 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 2a5k n LEU 282 CO 0.19 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2a5k n GLY 283 N -1.43 0.39 3.77 -0.72 0.00 -1.26 -4.81 105.19 101.12 2a5k n GLY 283 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.25 6.16 0.82 1.61 0.15 -0.28 -5.03 113.70 114.88 2a5k s SER 284 Ca 0.00 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 2a5k s SER 284 Cb 0.00 -2.04 0.09 0.00 -1.71 0.00 0.00 66.02 62.36 2a5k s SER 284 CO 0.00 0.27 1.12 0.42 1.20 0.00 0.00 173.24 176.25 2a5k s THR 285 N -0.18 2.67 0.46 6.45 -4.23 -1.26 -0.92 115.64 118.62 2a5k s THR 285 Ca 0.10 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2a5k s THR 285 Cb -0.12 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2a5k s THR 285 CO 0.01 -0.28 0.00 2.30 -0.54 0.00 0.00 174.62 176.10 2a5k n ILE 286 N -3.47 -4.63 -3.02 2.99 -5.35 -1.26 -4.90 119.36 99.71 2a5k n ILE 286 Ca 0.07 2.13 -0.40 0.00 -0.27 0.00 0.00 62.75 64.28 2a5k n ILE 286 Cb 0.58 -2.92 -0.05 0.00 -1.74 0.00 0.00 39.64 35.51 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 -3.35 4.33 0.05 7.28 1.43 -1.26 -4.92 118.68 122.23 2a5k s LEU 287 Ca 0.00 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.10 2a5k s LEU 287 Cb 0.00 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 2a5k s LEU 287 CO 0.00 -0.12 0.71 -0.70 0.23 0.00 0.00 176.35 176.47 2a5k s GLU 288 N 0.77 4.44 -0.04 1.70 2.56 -1.26 -5.00 118.70 121.87 2a5k s GLU 288 Ca 0.38 0.97 0.06 0.00 0.00 0.00 0.00 54.97 56.38 2a5k s GLU 288 Cb -0.18 -3.34 0.10 0.00 2.00 0.00 0.00 34.13 32.71 2a5k s GLU 288 CO 0.19 0.36 0.97 -0.40 -0.56 0.00 0.00 175.26 175.82 2a5k n ASP 289 N 2.59 1.50 -0.85 -1.70 3.85 -1.26 -3.60 116.55 117.08 2a5k n ASP 289 Ca -0.04 -2.20 0.02 0.00 -0.71 0.00 0.00 54.79 51.86 2a5k n ASP 289 Cb 0.50 -0.17 0.20 0.00 -1.35 0.00 0.00 41.12 40.31 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 -0.66 1.92 -4.04 0.11 1.02 -1.26 -4.65 120.64 113.08 2a5k n GLU 290 Ca 0.05 -3.06 -0.33 0.00 -0.02 0.00 0.00 57.16 53.80 2a5k n GLU 290 Cb 0.49 -1.74 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 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 3.03 0.63 -0.32 0.40 -1.26 -4.84 117.98 112.50 2a5k s PHE 291 Ca 0.41 -1.76 -0.11 0.00 -0.60 0.00 0.00 56.93 54.87 2a5k s PHE 291 Cb 0.37 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 2a5k s PHE 291 CO 0.01 -0.79 1.02 0.95 0.70 0.00 0.00 175.22 177.11 2a5k s THR 292 N 1.26 4.46 0.31 0.64 -4.23 -1.26 -4.43 115.64 112.39 2a5k s THR 292 Ca -0.01 0.74 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 2a5k s THR 292 Cb -0.16 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.19 2a5k s THR 292 CO -0.07 -1.01 1.81 -0.65 -0.54 0.00 0.00 174.62 174.15 2a5k h PRO 293 N -0.35 0.80 -0.36 3.99 0.11 -1.89 -1.49 132.00 132.82 2a5k h PRO 293 Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2a5k h PRO 293 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2a5k h PRO 293 CO 0.62 0.53 0.18 0.35 -0.21 0.00 0.00 178.00 179.47 2a5k h PHE 294 N 0.82 0.51 -0.76 0.65 -0.00 -1.94 -2.39 116.94 113.83 2a5k h PHE 294 Ca 0.54 -0.02 0.08 0.00 -0.00 0.00 0.00 57.97 58.56 2a5k h PHE 294 Cb 0.76 -0.16 -0.06 0.00 -0.00 0.00 0.00 35.95 36.49 2a5k h PHE 294 CO -0.00 0.43 0.43 -0.44 -0.00 0.00 0.00 178.31 178.72 2a5k h ASP 295 N 0.44 0.63 0.63 0.41 3.32 -1.66 -1.40 116.42 118.78 2a5k h ASP 295 Ca 0.12 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2a5k h ASP 295 Cb 0.11 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2a5k h ASP 295 CO -0.02 0.38 -0.33 0.58 -1.72 0.00 0.00 179.24 178.13 2a5k h VAL 296 N 0.75 0.32 -0.77 -1.35 2.07 -1.25 0.28 116.25 116.31 2a5k h VAL 296 Ca 0.35 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.05 2a5k h VAL 296 Cb 0.27 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.25 2a5k h VAL 296 CO -0.22 0.00 0.20 0.58 0.02 0.00 0.00 177.57 178.15 2a5k h VAL 297 N -0.89 0.49 0.74 2.57 2.07 -1.06 -1.46 116.25 118.71 2a5k h VAL 297 Ca -0.08 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2a5k h VAL 297 Cb 0.69 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2a5k h VAL 297 CO 0.12 0.05 -0.35 -0.09 0.02 0.00 0.00 177.57 177.32 2a5k h ARG 298 N 0.27 -0.95 -0.92 1.57 2.43 -0.72 -2.82 114.38 113.25 2a5k h ARG 298 Ca 0.44 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 2a5k h ARG 298 Cb 0.78 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2a5k h ARG 298 CO -0.53 -0.63 0.00 1.04 -1.51 0.00 0.00 179.97 178.34 2a5k n GLN 299 N -5.51 1.13 0.00 0.20 6.02 0.04 -5.11 117.38 114.15 2a5k n GLN 299 Ca -0.14 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2a5k n GLN 299 Cb 0.40 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2a5k n GLN 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05