#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqj n VAL 2 N 0.00 0.33 -4.38 2.62 0.31 -1.26 -4.76 118.33 111.19 2oqj n VAL 2 Ca 0.00 -0.21 -0.29 0.00 -0.01 0.00 0.00 64.34 63.83 2oqj n VAL 2 Cb 0.00 -1.75 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 2oqj n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2oqj s GLN 3 N 5.29 1.52 0.12 5.55 -0.21 -1.07 -4.92 119.66 125.95 2oqj s GLN 3 Ca 1.03 -1.35 0.04 0.00 0.02 0.00 0.00 55.36 55.10 2oqj s GLN 3 Cb -0.78 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 2oqj s GLN 3 CO 0.51 0.44 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.50 2oqj s LEU 4 N -2.23 2.46 -0.18 2.90 1.02 -1.26 -0.59 118.68 120.80 2oqj s LEU 4 Ca 0.17 -0.90 -0.05 0.00 0.02 0.00 0.00 54.13 53.37 2oqj s LEU 4 Cb -0.10 -0.37 0.09 0.00 0.02 0.00 0.00 46.19 45.83 2oqj s LEU 4 CO 0.08 -0.27 0.33 0.54 0.02 0.00 0.00 176.35 177.05 2oqj s VAL 5 N -2.77 -0.52 0.48 -1.59 0.11 0.40 -4.31 120.40 112.21 2oqj s VAL 5 Ca 0.11 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.17 2oqj s VAL 5 Cb -0.01 -0.61 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2oqj s VAL 5 CO 0.01 0.02 0.90 -1.61 -3.33 0.00 0.00 175.10 171.09 2oqj s GLU 6 N 2.49 3.84 -0.00 1.54 8.01 -1.26 -1.39 118.70 131.93 2oqj s GLU 6 Ca 0.03 0.72 -0.23 0.00 0.01 0.00 0.00 54.97 55.50 2oqj s GLU 6 Cb -0.13 -2.24 0.05 0.00 -4.31 0.00 0.00 34.13 27.50 2oqj s GLU 6 CO -0.12 -0.20 0.51 -1.54 0.01 0.00 0.00 175.26 173.93 2oqj s SER 7 N -3.23 -0.44 0.00 -0.19 1.04 -0.64 -4.88 113.70 105.36 2oqj s SER 7 Ca 0.55 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2oqj s SER 7 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2oqj s SER 7 CO 0.34 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2oqj n GLY 8 N 0.83 1.27 3.45 7.32 0.00 -1.26 -1.29 105.19 115.52 2oqj n GLY 8 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2oqj n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 9 N 0.00 -1.61 0.00 -0.02 0.00 -1.26 -4.84 105.19 97.46 2oqj n GLY 9 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2oqj n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 10 N 1.70 -0.96 3.70 -0.02 0.00 -0.84 -4.92 105.19 103.85 2oqj n GLY 10 Ca 0.10 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2oqj n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqj s LEU 11 N 0.00 4.24 -0.03 0.99 1.02 -1.26 -1.73 118.68 121.91 2oqj s LEU 11 Ca 0.00 0.90 0.05 0.00 0.02 0.00 0.00 54.13 55.10 2oqj s LEU 11 Cb 0.00 -2.84 -0.01 0.00 0.02 0.00 0.00 46.19 43.36 2oqj s LEU 11 CO 0.00 -0.11 -0.17 -0.69 0.02 0.00 0.00 176.35 175.39 2oqj s VAL 12 N 1.08 1.43 0.32 -1.59 1.01 -0.65 -4.99 120.40 117.01 2oqj s VAL 12 Ca 0.29 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2oqj s VAL 12 Cb -0.16 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 2oqj s VAL 12 CO 0.12 0.41 0.95 -0.54 0.00 0.00 0.00 175.10 176.04 2oqj s LYS 13 N -0.10 4.57 0.12 2.72 1.02 -1.26 -0.33 119.74 126.48 2oqj s LYS 13 Ca -0.01 1.34 -0.35 0.00 0.02 0.00 0.00 55.97 56.98 2oqj s LYS 13 Cb -0.10 -2.80 -0.15 0.00 -0.52 0.00 0.00 37.83 34.26 2oqj s LYS 13 CO 0.01 0.27 1.50 0.00 -0.92 0.00 0.00 175.35 176.21 2oqj n ALA 14 N 0.56 0.45 0.00 5.17 0.00 -0.65 -0.83 120.51 125.21 2oqj n ALA 14 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2oqj n ALA 14 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2oqj n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqj n GLY 15 N 3.12 3.09 2.53 0.00 0.00 0.34 -4.61 105.19 109.66 2oqj n GLY 15 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2oqj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 16 N -0.42 -2.78 3.42 -0.02 0.00 -0.01 -3.50 105.19 101.87 2oqj n GLY 16 Ca 0.00 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 2oqj n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oqj s SER 17 N -3.58 3.21 -0.09 1.61 0.01 -1.26 -1.92 113.70 111.68 2oqj s SER 17 Ca 0.51 -0.97 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 2oqj s SER 17 Cb -0.05 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.98 2oqj s SER 17 CO 0.40 -0.00 0.40 -0.22 0.41 0.00 0.00 173.24 174.23 2oqj s LEU 18 N -3.19 0.47 -0.13 2.44 2.96 0.11 -5.00 118.68 116.33 2oqj s LEU 18 Ca 0.25 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2oqj s LEU 18 Cb -0.05 1.48 0.02 0.00 0.50 0.00 0.00 46.19 48.14 2oqj s LEU 18 CO 0.11 -0.32 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.02 2oqj s ILE 19 N -0.56 1.74 0.13 6.68 1.01 -1.26 0.47 121.20 129.42 2oqj s ILE 19 Ca -0.07 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2oqj s ILE 19 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2oqj s ILE 19 CO 0.03 0.49 0.11 -0.76 0.00 0.00 0.00 174.94 174.80 2oqj s LEU 20 N 1.05 3.78 0.19 2.97 1.43 0.44 -4.69 118.68 123.86 2oqj s LEU 20 Ca -0.03 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2oqj s LEU 20 Cb -0.15 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2oqj s LEU 20 CO -0.04 0.11 -0.11 -0.94 0.23 0.00 0.00 176.35 175.60 2oqj s SER 21 N -2.80 2.23 -0.05 2.29 1.04 -0.41 -0.47 113.70 115.53 2oqj s SER 21 Ca 0.30 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2oqj s SER 21 Cb -0.11 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.96 2oqj s SER 21 CO 0.23 -0.27 0.03 0.00 0.98 0.00 0.00 173.24 174.21 2oqj s GLY 23 N 2.05 1.73 0.21 0.00 0.00 -0.49 -1.13 107.32 109.70 2oqj s GLY 23 Ca 0.05 -1.26 0.10 0.00 0.00 0.00 0.00 44.72 43.61 2oqj s GLY 23 CO -0.04 -1.21 -0.20 -1.34 0.00 0.00 0.00 173.10 170.30 2oqj s VAL 24 N -1.13 2.17 0.07 1.40 -7.23 -1.24 -0.45 120.40 113.99 2oqj s VAL 24 Ca 0.19 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2oqj s VAL 24 Cb -0.11 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2oqj s VAL 24 CO 0.11 -0.29 -0.20 -0.44 -0.31 0.00 0.00 175.10 173.97 2oqj s SER 25 N -2.94 2.41 -1.87 4.85 0.01 0.24 -4.86 113.70 111.55 2oqj s SER 25 Ca 0.22 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2oqj s SER 25 Cb -0.06 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2oqj s SER 25 CO 0.10 0.09 0.00 0.59 0.41 0.00 0.00 173.24 174.43 2oqj n ASN 26 N 1.49 -5.37 -3.43 2.44 3.02 -1.26 -2.58 115.26 109.56 2oqj n ASN 26 Ca -0.18 0.28 -0.05 0.00 -0.03 0.00 0.00 54.58 54.60 2oqj n ASN 26 Cb 0.54 -4.49 0.01 0.00 -0.61 0.00 0.00 39.78 35.22 2oqj n ASN 26 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2oqj s PHE 27 N -2.80 -0.00 -0.16 3.10 -0.71 -1.26 -4.70 117.98 111.45 2oqj s PHE 27 Ca 0.00 -0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 55.44 2oqj s PHE 27 Cb 0.00 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.51 2oqj s PHE 27 CO 0.00 -1.06 -0.10 1.03 -1.34 0.00 0.00 175.22 173.75 2oqj s ARG 28 N -2.69 3.40 0.44 1.99 1.81 -1.26 -4.99 118.95 117.64 2oqj s ARG 28 Ca 0.17 -0.66 0.20 0.00 -1.72 0.00 0.00 55.73 53.72 2oqj s ARG 28 Cb -0.03 -2.75 1.02 0.00 -0.45 0.00 0.00 34.95 32.74 2oqj s ARG 28 CO 0.06 0.10 1.91 -0.84 -0.68 0.00 0.00 175.30 175.85 2oqj h ILE 29 N 5.47 0.87 -0.25 1.52 3.07 -1.93 -3.15 117.51 123.11 2oqj h ILE 29 Ca -0.31 -0.99 0.07 0.00 1.55 0.00 0.00 64.86 65.18 2oqj h ILE 29 Cb 1.20 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 39.32 2oqj h ILE 29 CO 0.58 0.25 0.43 0.77 -1.05 0.00 0.00 178.15 179.13 2oqj h SER 30 N 0.00 0.00 1.42 2.16 4.64 -1.95 0.50 113.55 120.32 2oqj h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oqj h SER 30 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2oqj h SER 30 CO 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.78 2oqj h ALA 31 N 1.36 0.87 -4.09 5.18 0.00 -1.98 -3.44 119.26 117.17 2oqj h ALA 31 Ca 0.12 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.38 2oqj h ALA 31 Cb 0.99 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.53 2oqj h ALA 31 CO -0.00 0.00 -0.86 -1.01 0.00 0.00 0.00 179.25 177.38 2oqj s HIS 32 N -3.16 2.13 0.15 0.00 3.76 0.17 -5.01 115.29 113.34 2oqj s HIS 32 Ca 0.08 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 2oqj s HIS 32 Cb 0.11 -1.24 -0.07 0.00 1.11 0.00 0.00 32.58 32.49 2oqj s HIS 32 CO 0.65 0.17 1.21 0.99 -0.85 0.00 0.00 174.74 176.92 2oqj s THR 33 N -0.90 3.67 -0.00 1.30 2.01 -1.26 -4.45 115.64 116.02 2oqj s THR 33 Ca 0.11 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.45 2oqj s THR 33 Cb -0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2oqj s THR 33 CO 0.03 0.18 0.03 -0.04 -0.69 0.00 0.00 174.62 174.13 2oqj s MET 34 N 0.18 2.87 0.06 4.92 1.00 -0.77 -1.59 119.30 125.96 2oqj s MET 34 Ca 0.55 -0.58 0.05 0.00 0.00 0.00 0.00 55.69 55.72 2oqj s MET 34 Cb -0.32 -2.73 -0.03 0.00 0.00 0.00 0.00 34.83 31.76 2oqj s MET 34 CO 0.34 0.63 -0.15 -0.80 0.00 0.00 0.00 175.02 175.04 2oqj s ASN 35 N -1.63 1.78 -0.14 3.03 0.01 0.36 -1.15 114.94 117.20 2oqj s ASN 35 Ca 0.21 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.75 2oqj s ASN 35 Cb -0.12 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 2oqj s ASN 35 CO 0.12 -0.02 -0.02 0.26 -1.51 0.00 0.00 177.10 175.93 2oqj s TRP 36 N -1.11 3.07 0.01 2.20 0.52 0.52 -0.51 118.94 123.64 2oqj s TRP 36 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.02 2oqj s TRP 36 Cb -0.09 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2oqj s TRP 36 CO 0.02 0.11 -0.10 0.08 0.02 0.00 0.00 176.95 177.07 2oqj s VAL 37 N 0.06 0.80 0.05 4.03 1.01 0.10 -0.35 120.40 126.10 2oqj s VAL 37 Ca 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2oqj s VAL 37 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2oqj s VAL 37 CO 0.02 0.08 -0.20 0.00 0.00 0.00 0.00 175.10 175.00 2oqj s ARG 38 N -0.63 1.32 -0.33 2.72 1.70 -0.48 0.11 118.95 123.37 2oqj s ARG 38 Ca 0.01 -0.97 -0.08 0.00 -0.47 0.00 0.00 55.73 54.22 2oqj s ARG 38 Cb -0.05 -1.46 0.02 0.00 -0.57 0.00 0.00 34.95 32.89 2oqj s ARG 38 CO 0.00 0.37 0.13 0.50 -1.08 0.00 0.00 175.30 175.22 2oqj s ARG 39 N -1.30 2.99 0.39 3.89 3.52 0.11 -0.91 118.95 127.64 2oqj s ARG 39 Ca 0.07 -0.95 -0.22 0.00 -0.13 0.00 0.00 55.73 54.50 2oqj s ARG 39 Cb -0.09 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.67 2oqj s ARG 39 CO 0.02 -0.55 0.94 0.14 -0.81 0.00 0.00 175.30 175.04 2oqj s VAL 40 N 1.52 4.35 0.51 7.11 -7.23 -1.09 -1.40 120.40 124.18 2oqj s VAL 40 Ca 0.02 1.56 0.38 0.00 -1.81 0.00 0.00 61.98 62.13 2oqj s VAL 40 Cb -0.18 -3.72 0.58 0.00 0.56 0.00 0.00 36.38 33.62 2oqj s VAL 40 CO 0.04 -0.17 1.68 -0.65 -0.31 0.00 0.00 175.10 175.69 2oqj h PRO 41 N 2.32 0.06 -0.89 4.82 0.11 -1.91 0.21 132.00 136.72 2oqj h PRO 41 Ca -0.48 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 2oqj h PRO 41 Cb 1.18 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2oqj h PRO 41 CO 0.62 0.04 0.57 0.78 -0.21 0.00 0.00 178.00 179.80 2oqj h GLY 42 N 0.06 1.24 0.00 -0.55 0.00 -1.96 -3.46 103.07 98.39 2oqj h GLY 42 Ca 0.76 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2oqj h GLY 42 CO -0.14 0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.14 2oqj n GLY 43 N -1.42 3.58 3.76 4.60 0.00 0.75 -5.14 105.19 111.31 2oqj n GLY 43 Ca 0.16 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2oqj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqj s GLY 44 N -0.05 1.60 -0.03 -0.02 0.00 -1.26 -4.78 107.32 102.79 2oqj s GLY 44 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2oqj s GLY 44 CO 0.00 -0.02 -0.02 1.08 0.00 0.00 0.00 173.10 174.15 2oqj s LEU 45 N -6.23 3.44 -0.08 0.66 1.43 -1.26 -2.66 118.68 113.98 2oqj s LEU 45 Ca 0.66 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2oqj s LEU 45 Cb -0.13 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2oqj s LEU 45 CO 0.54 0.31 -0.22 -1.61 0.23 0.00 0.00 176.35 175.60 2oqj s GLU 46 N -1.31 2.70 0.04 1.70 2.02 -0.08 -4.99 118.70 118.77 2oqj s GLU 46 Ca 0.17 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 2oqj s GLU 46 Cb -0.11 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 2oqj s GLU 46 CO 0.07 0.21 1.22 -0.46 0.02 0.00 0.00 175.26 176.31 2oqj s TRP 47 N 0.26 3.34 -0.25 1.61 -0.00 -1.26 -1.38 118.94 121.27 2oqj s TRP 47 Ca -0.14 1.24 -0.15 0.00 -0.00 0.00 0.00 56.10 57.04 2oqj s TRP 47 Cb -0.16 -3.44 -0.10 0.00 -0.00 0.00 0.00 33.47 29.76 2oqj s TRP 47 CO 0.07 -1.39 -0.35 0.28 -0.00 0.00 0.00 176.95 175.55 2oqj n VAL 48 N 4.11 1.52 -3.53 5.86 0.31 0.52 -4.59 118.33 122.53 2oqj n VAL 48 Ca 0.10 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 2oqj n VAL 48 Cb 0.46 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 2oqj n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oqj s ALA 49 N -2.64 -1.56 0.03 3.52 0.00 -1.11 -1.27 121.76 118.74 2oqj s ALA 49 Ca -0.36 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 2oqj s ALA 49 Cb 0.11 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2oqj s ALA 49 CO 0.47 -0.82 0.31 -1.54 0.00 0.00 0.00 175.76 174.18 2oqj s SER 50 N -2.76 -0.14 -0.05 0.00 1.04 0.59 -0.36 113.70 112.02 2oqj s SER 50 Ca 0.04 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2oqj s SER 50 Cb -0.02 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2oqj s SER 50 CO -0.08 -0.59 -0.06 -0.51 0.98 0.00 0.00 173.24 172.98 2oqj s ILE 51 N -2.36 0.66 0.97 -1.02 2.07 -0.30 -0.14 121.20 121.08 2oqj s ILE 51 Ca -0.06 -0.18 -0.15 0.00 -1.41 0.00 0.00 60.65 58.84 2oqj s ILE 51 Cb -0.01 -0.68 0.18 0.00 0.13 0.00 0.00 42.46 42.08 2oqj s ILE 51 CO -0.02 0.26 1.23 -0.94 -1.91 0.00 0.00 174.94 173.56 2oqj s SER 52 N 0.98 3.07 0.25 4.50 1.04 -0.52 -1.86 113.70 121.18 2oqj s SER 52 Ca -0.10 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.56 2oqj s SER 52 Cb -0.14 -0.78 -0.11 0.00 0.10 0.00 0.00 66.02 65.09 2oqj s SER 52 CO -0.00 -2.78 1.55 0.42 0.98 0.00 0.00 173.24 173.41 2oqj s THR 52 N -3.59 2.34 -1.42 2.02 -4.23 -1.26 -2.10 115.64 107.40 2oqj s THR 52 Ca 0.70 0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 61.34 2oqj s THR 52 Cb -0.08 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.70 2oqj s THR 52 CO 0.53 0.04 0.59 -1.54 -0.54 0.00 0.00 174.62 173.70 2oqj n SER 53 N 2.62 -3.24 -2.14 3.99 3.41 -1.26 -3.28 113.62 113.71 2oqj n SER 53 Ca 0.09 -0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 57.86 2oqj n SER 53 Cb 0.38 -2.69 -0.03 0.00 -0.26 0.00 0.00 64.21 61.62 2oqj n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2oqj n SER 54 N -2.40 -5.29 -0.18 4.04 7.64 -0.89 -4.88 113.62 111.67 2oqj n SER 54 Ca 0.04 0.17 -0.06 0.00 1.01 0.00 0.00 58.87 60.02 2oqj n SER 54 Cb 0.51 -4.50 0.03 0.00 -1.01 0.00 0.00 64.21 59.24 2oqj n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2oqj h THR 55 N 0.00 1.10 -3.16 0.44 2.02 -1.75 -3.43 112.91 108.12 2oqj h THR 55 Ca -0.43 -0.23 -0.28 0.00 0.77 0.00 0.00 66.41 66.25 2oqj h THR 55 Cb 1.30 0.36 -0.34 0.00 -1.74 0.00 0.00 68.15 67.73 2oqj h THR 55 CO 0.54 0.12 -0.62 -0.47 0.37 0.00 0.00 175.52 175.46 2oqj s TYR 56 N -6.15 -0.17 -0.15 3.16 5.04 -1.26 -5.02 117.35 112.81 2oqj s TYR 56 Ca -0.13 0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 54.98 2oqj s TYR 56 Cb 0.13 -0.20 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 2oqj s TYR 56 CO 0.74 -0.23 0.10 1.03 -1.34 0.00 0.00 175.55 175.86 2oqj s ARG 57 N 1.84 3.66 0.06 4.97 0.52 -1.26 -1.43 118.95 127.30 2oqj s ARG 57 Ca -0.02 -0.24 0.06 0.00 -0.52 0.00 0.00 55.73 55.01 2oqj s ARG 57 Cb -0.12 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2oqj s ARG 57 CO -0.06 0.55 -0.17 0.34 0.02 0.00 0.00 175.30 175.98 2oqj s ASP 58 N -0.39 2.02 0.03 0.23 2.15 0.80 -4.98 116.67 116.54 2oqj s ASP 58 Ca 0.11 -0.54 0.01 0.00 0.43 0.00 0.00 52.55 52.56 2oqj s ASP 58 Cb -0.12 -0.13 -0.02 0.00 -0.30 0.00 0.00 42.92 42.35 2oqj s ASP 58 CO 0.02 0.05 -0.05 -0.31 -0.17 0.00 0.00 175.17 174.71 2oqj s TYR 59 N -0.95 0.47 0.29 -5.34 2.02 -1.26 -0.30 117.35 112.28 2oqj s TYR 59 Ca 0.03 -0.57 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 2oqj s TYR 59 Cb -0.09 -0.30 -0.09 0.00 -0.40 0.00 0.00 41.96 41.08 2oqj s TYR 59 CO 0.02 -0.16 0.99 0.00 -1.57 0.00 0.00 175.55 174.84 2oqj s ALA 60 N -1.69 3.29 0.35 3.71 0.00 -0.39 -4.87 121.76 122.15 2oqj s ALA 60 Ca -0.11 0.67 0.15 0.00 0.00 0.00 0.00 51.96 52.67 2oqj s ALA 60 Cb -0.08 -3.24 1.15 0.00 0.00 0.00 0.00 23.12 20.95 2oqj s ALA 60 CO -0.01 0.05 1.60 -0.44 0.00 0.00 0.00 175.76 176.96 2oqj h ASP 61 N 3.57 0.21 0.56 0.00 3.32 -1.94 0.39 116.42 122.54 2oqj h ASP 61 Ca -0.46 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2oqj h ASP 61 Cb 1.20 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 2oqj h ASP 61 CO 0.66 -0.34 -0.05 0.00 -1.72 0.00 0.00 179.24 177.79 2oqj h ALA 62 N 1.95 1.08 -0.00 3.45 0.00 -1.96 -3.16 119.26 120.61 2oqj h ALA 62 Ca 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2oqj h ALA 62 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2oqj h ALA 62 CO -0.75 0.06 -0.02 1.33 0.00 0.00 0.00 179.25 179.87 2oqj n VAL 63 N -3.26 0.00 -1.76 0.00 0.24 0.05 -4.99 118.33 108.61 2oqj n VAL 63 Ca -0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2oqj n VAL 63 Cb 0.23 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 2oqj n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2oqj s LYS 64 N -0.55 4.15 0.00 7.34 2.20 -0.71 -1.54 119.74 130.63 2oqj s LYS 64 Ca 0.01 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2oqj s LYS 64 Cb 0.01 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2oqj s LYS 64 CO 0.03 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2oqj n GLY 65 N 4.13 0.63 0.00 5.54 0.00 -1.26 -4.84 105.19 109.39 2oqj n GLY 65 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2oqj n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqj n ARG 66 N -2.00 2.87 -4.08 1.61 1.74 -0.59 -5.04 116.66 111.17 2oqj n ARG 66 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2oqj n ARG 66 Cb 0.00 -0.94 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 2oqj n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2oqj s PHE 67 N -1.88 3.27 -0.04 -1.55 0.40 -0.68 -1.53 117.98 115.97 2oqj s PHE 67 Ca 0.00 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2oqj s PHE 67 Cb 0.00 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.84 2oqj s PHE 67 CO 0.00 0.54 -0.10 0.99 0.70 0.00 0.00 175.22 177.35 2oqj s THR 68 N -1.27 0.93 -0.16 0.64 2.01 -0.41 -4.92 115.64 112.46 2oqj s THR 68 Ca 0.26 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 2oqj s THR 68 Cb -0.12 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2oqj s THR 68 CO 0.17 0.30 -0.09 0.54 -0.69 0.00 0.00 174.62 174.85 2oqj s VAL 69 N 0.42 3.30 0.16 3.82 0.11 -1.26 -0.15 120.40 126.80 2oqj s VAL 69 Ca -0.08 -0.56 0.09 0.00 -2.93 0.00 0.00 61.98 58.51 2oqj s VAL 69 Cb -0.12 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 2oqj s VAL 69 CO 0.02 0.49 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.63 2oqj s SER 70 N 0.67 2.91 0.17 3.54 0.01 -0.83 -4.95 113.70 115.21 2oqj s SER 70 Ca -0.05 -0.82 0.08 0.00 1.31 0.00 0.00 55.95 56.47 2oqj s SER 70 Cb -0.15 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2oqj s SER 70 CO 0.02 0.04 -0.18 0.00 0.41 0.00 0.00 173.24 173.53 2oqj s ARG 71 N -2.55 1.27 -0.31 12.44 1.70 -1.26 0.25 118.95 130.49 2oqj s ARG 71 Ca 0.15 -1.41 -0.00 0.00 -0.47 0.00 0.00 55.73 54.00 2oqj s ARG 71 Cb -0.07 -1.32 0.10 0.00 -0.57 0.00 0.00 34.95 33.09 2oqj s ARG 71 CO 0.07 0.27 0.09 0.34 -1.08 0.00 0.00 175.30 174.99 2oqj s ASP 72 N -2.69 4.08 0.25 -2.89 -1.08 0.46 -4.99 116.67 109.81 2oqj s ASP 72 Ca 0.16 -1.67 0.07 0.00 -0.52 0.00 0.00 52.55 50.59 2oqj s ASP 72 Cb -0.06 -0.94 0.27 0.00 -1.46 0.00 0.00 42.92 40.74 2oqj s ASP 72 CO 0.07 -0.41 1.56 0.44 0.52 0.00 0.00 175.17 177.35 2oqj h ASP 73 N 8.04 0.12 1.23 -0.34 3.32 -1.97 -0.45 116.42 126.38 2oqj h ASP 73 Ca -0.13 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 2oqj h ASP 73 Cb 1.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2oqj h ASP 73 CO 0.47 0.73 -0.44 -0.07 -1.72 0.00 0.00 179.24 178.21 2oqj h LEU 74 N 0.07 0.00 -1.14 1.55 3.38 -1.97 -3.27 115.31 113.94 2oqj h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2oqj h LEU 74 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2oqj h LEU 74 CO 0.09 0.44 0.00 1.21 0.09 0.00 0.00 178.44 180.27 2oqj n GLU 75 N -3.33 -0.50 -3.34 1.13 4.07 -1.23 -5.04 120.64 112.39 2oqj n GLU 75 Ca 0.01 -0.71 -0.17 0.00 -0.06 0.00 0.00 57.16 56.23 2oqj n GLU 75 Cb 0.64 -1.07 0.05 0.00 -0.06 0.00 0.00 31.44 31.00 2oqj n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2oqj n ASP 76 N 0.19 -6.45 -4.24 4.31 9.92 -0.30 -4.91 116.55 115.07 2oqj n ASP 76 Ca 0.02 -0.71 -0.24 0.00 -0.53 0.00 0.00 54.79 53.33 2oqj n ASP 76 Cb 0.09 -4.73 -0.13 0.00 -0.64 0.00 0.00 41.12 35.70 2oqj n ASP 76 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqj s PHE 77 N -3.35 1.67 -0.02 1.24 0.08 -0.47 -3.63 117.98 113.50 2oqj s PHE 77 Ca 0.40 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 57.14 2oqj s PHE 77 Cb -0.08 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2oqj s PHE 77 CO 0.77 0.11 -0.24 0.08 -0.10 0.00 0.00 175.22 175.84 2oqj s VAL 78 N -0.92 1.89 0.09 -0.44 1.01 -0.28 -0.41 120.40 121.34 2oqj s VAL 78 Ca 0.06 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.11 2oqj s VAL 78 Cb -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2oqj s VAL 78 CO 0.02 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 2oqj s TYR 79 N -0.51 2.41 -0.23 5.22 2.02 0.14 -0.30 117.35 126.11 2oqj s TYR 79 Ca 0.08 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2oqj s TYR 79 Cb -0.10 -1.35 0.07 0.00 -0.40 0.00 0.00 41.96 40.18 2oqj s TYR 79 CO -0.00 0.28 0.03 -1.17 -1.57 0.00 0.00 175.55 173.12 2oqj s LEU 80 N -1.75 1.69 -0.04 -1.29 2.96 0.38 -1.97 118.68 118.66 2oqj s LEU 80 Ca 0.14 -1.09 -0.26 0.00 -0.22 0.00 0.00 54.13 52.70 2oqj s LEU 80 Cb -0.10 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2oqj s LEU 80 CO 0.06 -0.32 0.81 -1.10 -1.32 0.00 0.00 176.35 174.48 2oqj s GLN 81 N 1.72 4.48 -0.21 1.98 -0.21 0.78 -0.42 119.66 127.78 2oqj s GLN 81 Ca 0.01 1.09 0.01 0.00 0.02 0.00 0.00 55.36 56.49 2oqj s GLN 81 Cb -0.17 -3.46 0.04 0.00 1.00 0.00 0.00 33.01 30.42 2oqj s GLN 81 CO -0.12 0.01 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.31 2oqj s MET 82 N 0.93 2.04 0.29 2.91 -1.94 0.18 -1.29 119.30 122.42 2oqj s MET 82 Ca 0.43 -0.90 0.10 0.00 -1.71 0.00 0.00 55.69 53.61 2oqj s MET 82 Cb -0.19 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 2oqj s MET 82 CO 0.22 -0.45 -0.06 -1.01 -0.01 0.00 0.00 175.02 173.71 2oqj s HIS 82 N 1.37 2.52 -1.37 -0.03 3.76 -0.58 0.05 115.29 121.01 2oqj s HIS 82 Ca -0.02 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2oqj s HIS 82 Cb -0.17 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.32 2oqj s HIS 82 CO -0.08 0.61 0.65 1.63 -0.85 0.00 0.00 174.74 176.70 2oqj n LYS 82 N -0.83 -4.45 -2.15 1.40 4.01 -1.13 -4.72 118.16 110.29 2oqj n LYS 82 Ca -0.05 0.55 -0.42 0.00 -0.51 0.00 0.00 58.31 57.88 2oqj n LYS 82 Cb 0.60 -5.02 -0.03 0.00 -0.51 0.00 0.00 35.03 30.08 2oqj n LYS 82 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2oqj s MET 82 N -6.24 4.34 0.31 1.97 -1.94 -0.81 -4.62 119.30 112.31 2oqj s MET 82 Ca 0.09 2.12 0.06 0.00 -1.71 0.00 0.00 55.69 56.25 2oqj s MET 82 Cb -0.04 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 2oqj s MET 82 CO 0.84 -0.36 0.40 1.03 -0.01 0.00 0.00 175.02 176.93 2oqj s ARG 83 N 0.31 3.12 0.29 2.03 0.52 -1.26 -0.50 118.95 123.45 2oqj s ARG 83 Ca 0.60 -1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2oqj s ARG 83 Cb -0.38 -2.77 0.49 0.00 0.52 0.00 0.00 34.95 32.81 2oqj s ARG 83 CO 0.36 0.17 1.89 0.28 0.02 0.00 0.00 175.30 178.01 2oqj h VAL 84 N 1.04 1.05 0.00 3.52 2.07 -1.91 -1.58 116.25 120.43 2oqj h VAL 84 Ca -0.47 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2oqj h VAL 84 Cb 1.25 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2oqj h VAL 84 CO 0.56 0.20 0.00 -1.84 0.02 0.00 0.00 177.57 176.50 2oqj n GLU 85 N -4.51 0.70 0.00 1.57 0.00 -1.26 -2.10 120.64 115.04 2oqj n GLU 85 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.46 2oqj n GLU 85 Cb 0.22 -1.50 0.65 0.00 0.00 0.00 0.00 31.44 30.81 2oqj n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2oqj n ASP 86 N -1.01 0.36 -4.64 -1.84 8.00 -0.60 -4.79 116.55 112.03 2oqj n ASP 86 Ca 0.17 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 2oqj n ASP 86 Cb 0.08 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 2oqj n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2oqj s THR 87 N -2.49 3.13 -0.06 -3.53 2.01 -0.89 -4.81 115.64 109.00 2oqj s THR 87 Ca 0.29 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 2oqj s THR 87 Cb 0.20 -3.13 0.12 0.00 0.01 0.00 0.00 72.50 69.70 2oqj s THR 87 CO 0.47 -0.05 1.14 0.00 -0.69 0.00 0.00 174.62 175.50 2oqj s ALA 88 N 5.87 -2.02 -0.12 7.40 0.00 -0.51 -4.43 121.76 127.94 2oqj s ALA 88 Ca 0.90 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 53.64 2oqj s ALA 88 Cb -0.36 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2oqj s ALA 88 CO 0.37 -0.80 0.84 0.42 0.00 0.00 0.00 175.76 176.59 2oqj s ILE 89 N -2.66 4.90 -0.17 0.00 1.01 -0.49 -1.46 121.20 122.33 2oqj s ILE 89 Ca 0.10 1.68 -0.08 0.00 0.00 0.00 0.00 60.65 62.36 2oqj s ILE 89 Cb 0.01 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2oqj s ILE 89 CO -0.04 0.08 0.08 -0.31 0.00 0.00 0.00 174.94 174.76 2oqj s TYR 90 N 1.75 3.33 0.05 3.97 1.51 0.84 0.07 117.35 128.88 2oqj s TYR 90 Ca 0.41 0.20 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 2oqj s TYR 90 Cb -0.17 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2oqj s TYR 90 CO 0.16 0.28 -0.26 0.71 -1.11 0.00 0.00 175.55 175.33 2oqj s TYR 91 N 0.12 2.23 -0.07 2.71 1.51 0.30 -0.50 117.35 123.65 2oqj s TYR 91 Ca 0.06 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2oqj s TYR 91 Cb -0.12 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2oqj s TYR 91 CO 0.00 0.14 0.15 0.00 -1.11 0.00 0.00 175.55 174.73 2oqj s ALA 93 N -1.14 0.28 0.13 0.00 0.00 0.33 -1.89 121.76 119.47 2oqj s ALA 93 Ca 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2oqj s ALA 93 Cb -0.12 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 2oqj s ALA 93 CO 0.10 -0.07 0.38 -0.98 0.00 0.00 0.00 175.76 175.19 2oqj s ARG 94 N -1.20 3.64 -0.42 0.00 1.70 -0.95 -0.49 118.95 121.22 2oqj s ARG 94 Ca -0.10 -0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 54.89 2oqj s ARG 94 Cb -0.08 -2.86 0.02 0.00 -0.57 0.00 0.00 34.95 31.46 2oqj s ARG 94 CO -0.00 0.48 0.72 0.21 -1.08 0.00 0.00 175.30 175.62 2oqj s LYS 95 N -2.55 3.44 0.01 3.89 2.20 -0.62 -3.10 119.74 123.01 2oqj s LYS 95 Ca 0.40 -0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 55.64 2oqj s LYS 95 Cb -0.12 -3.91 0.08 0.00 -1.51 0.00 0.00 37.83 32.37 2oqj s LYS 95 CO 0.23 -1.00 1.14 0.41 -0.36 0.00 0.00 175.35 175.77 2oqj n GLY 96 N 4.91 0.32 3.86 5.54 0.00 -0.04 -4.32 105.19 115.47 2oqj n GLY 96 Ca 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 2oqj n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oqj s SER 97 N -3.55 -0.01 0.24 1.61 1.04 -1.26 -3.70 113.70 108.07 2oqj s SER 97 Ca 0.27 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2oqj s SER 97 Cb -0.01 0.54 0.30 0.00 0.10 0.00 0.00 66.02 66.95 2oqj s SER 97 CO 0.00 -1.07 1.58 0.44 0.98 0.00 0.00 173.24 175.17 2oqj h ASP 98 N 2.00 -1.00 -3.66 7.02 3.32 -2.01 -3.30 116.42 118.79 2oqj h ASP 98 Ca -0.28 0.26 -0.63 0.00 0.02 0.00 0.00 57.03 56.41 2oqj h ASP 98 Cb 1.22 0.59 -0.38 0.00 0.22 0.00 0.00 39.33 40.98 2oqj h ASP 98 CO 0.36 -0.29 -0.78 -0.60 -1.72 0.00 0.00 179.24 176.21 2oqj s ARG 99 N -6.14 1.66 0.49 3.56 3.52 -1.26 -5.12 118.95 115.66 2oqj s ARG 99 Ca -0.14 -1.23 -0.23 0.00 -0.13 0.00 0.00 55.73 54.01 2oqj s ARG 99 Cb 0.22 -2.71 -0.08 0.00 -1.56 0.00 0.00 34.95 30.82 2oqj s ARG 99 CO 0.74 -0.68 1.12 1.28 -0.81 0.00 0.00 175.30 176.95 2oqj n LEU 100 N 4.56 3.74 0.00 -0.88 4.77 -1.25 -5.02 117.00 122.92 2oqj n LEU 100 Ca -0.09 0.98 -0.09 0.00 -0.03 0.00 0.00 56.01 56.78 2oqj n LEU 100 Cb 0.43 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 2oqj n LEU 100 CO 0.19 -1.23 0.06 -1.54 -1.33 0.00 0.00 177.39 173.54 2oqj n SER 100 N -0.16 -0.70 0.25 -1.43 3.41 -1.26 -5.05 113.62 108.67 2oqj n SER 100 Ca 0.10 -2.14 0.11 0.00 -0.26 0.00 0.00 58.87 56.69 2oqj n SER 100 Cb 0.42 1.36 0.63 0.00 -0.26 0.00 0.00 64.21 66.36 2oqj n SER 100 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oqj h ASP 100 N 1.15 0.00 -2.52 4.04 3.32 -2.04 -3.38 116.42 116.98 2oqj h ASP 100 Ca -0.15 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.48 2oqj h ASP 100 Cb 0.69 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.87 2oqj h ASP 100 CO 0.21 0.17 -0.70 0.21 -1.72 0.00 0.00 179.24 177.40 2oqj s ASN 100 N -6.22 2.48 0.20 6.45 2.47 -1.26 -5.15 114.94 113.90 2oqj s ASN 100 Ca -0.02 -0.91 0.08 0.00 0.42 0.00 0.00 52.86 52.43 2oqj s ASN 100 Cb 0.12 0.08 -0.04 0.00 -1.45 0.00 0.00 41.25 39.96 2oqj s ASN 100 CO 0.61 -0.40 -0.01 -1.81 -3.72 0.00 0.00 177.10 171.77 2oqj s ASP 100 N 2.23 4.68 0.97 -4.21 1.01 -1.26 -5.10 116.67 114.99 2oqj s ASP 100 Ca 0.08 -0.47 -0.02 0.00 0.71 0.00 0.00 52.55 52.86 2oqj s ASP 100 Cb -0.15 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 42.85 2oqj s ASP 100 CO -0.31 0.07 0.16 -0.81 0.21 0.00 0.00 175.17 174.49 2oqj n PRO 100 N -0.29 -0.13 -3.26 8.23 -0.04 -1.26 -4.60 135.00 133.66 2oqj n PRO 100 Ca -0.09 -0.25 -0.46 0.00 -0.04 0.00 0.00 63.50 62.65 2oqj n PRO 100 Cb 0.56 -0.16 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 2oqj n PRO 100 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2oqj s PHE 100 N -1.30 3.51 -0.56 0.54 0.40 -1.26 -0.86 117.98 118.46 2oqj s PHE 100 Ca 0.09 -1.68 0.24 0.00 -0.60 0.00 0.00 56.93 54.98 2oqj s PHE 100 Cb -0.00 -3.89 0.37 0.00 0.51 0.00 0.00 43.02 40.01 2oqj s PHE 100 CO 0.06 -1.08 1.39 0.38 0.70 0.00 0.00 175.22 176.67 2oqj h ASP 101 N 8.26 0.00 -3.23 1.36 2.03 -1.62 -3.45 116.42 119.77 2oqj h ASP 101 Ca -0.01 -0.11 -0.43 0.00 -0.73 0.00 0.00 57.03 55.75 2oqj h ASP 101 Cb 1.06 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.16 2oqj h ASP 101 CO 0.88 0.05 -0.75 0.00 -1.03 0.00 0.00 179.24 178.39 2oqj s ALA 102 N -3.20 0.54 0.11 4.15 0.00 -1.26 -5.05 121.76 117.05 2oqj s ALA 102 Ca 0.06 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 51.97 2oqj s ALA 102 Cb 0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2oqj s ALA 102 CO 0.70 -0.73 -0.24 -1.58 0.00 0.00 0.00 175.76 173.92 2oqj s TRP 103 N 2.05 2.39 0.82 0.00 0.52 -1.26 -2.24 118.94 121.22 2oqj s TRP 103 Ca 0.03 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 2oqj s TRP 103 Cb -0.14 -1.30 0.09 0.00 -1.15 0.00 0.00 33.47 30.97 2oqj s TRP 103 CO -0.06 0.33 1.14 0.20 0.02 0.00 0.00 176.95 178.58 2oqj s GLY 104 N -1.96 1.60 0.45 0.98 0.00 -0.79 -4.47 107.32 103.13 2oqj s GLY 104 Ca 0.15 -0.49 0.25 0.00 0.00 0.00 0.00 44.72 44.63 2oqj s GLY 104 CO 0.07 -0.01 1.83 -0.56 0.00 0.00 0.00 173.10 174.43 2oqj h PRO 105 N -1.14 0.00 0.00 2.90 0.13 -1.92 -3.46 132.00 128.51 2oqj h PRO 105 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2oqj h PRO 105 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2oqj h PRO 105 CO 0.63 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2oqj n GLY 106 N 0.21 2.68 3.26 1.56 0.00 -1.26 -5.03 105.19 106.62 2oqj n GLY 106 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 2oqj n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oqj s THR 107 N -1.02 2.00 -0.27 2.61 -1.32 0.34 -4.91 115.64 113.07 2oqj s THR 107 Ca 0.00 -1.04 -0.24 0.00 -1.21 0.00 0.00 61.69 59.20 2oqj s THR 107 Cb 0.00 -1.69 -0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2oqj s THR 107 CO 0.00 0.56 0.80 -0.69 -2.21 0.00 0.00 174.62 173.08 2oqj s VAL 108 N -0.20 4.82 -0.15 5.08 1.01 -1.26 -0.11 120.40 129.59 2oqj s VAL 108 Ca -0.02 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 2oqj s VAL 108 Cb -0.13 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2oqj s VAL 108 CO 0.03 -0.15 -0.06 -0.69 0.00 0.00 0.00 175.10 174.23 2oqj s VAL 109 N 2.89 3.71 -0.19 2.92 1.01 -0.53 -1.99 120.40 128.22 2oqj s VAL 109 Ca 0.33 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2oqj s VAL 109 Cb -0.15 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2oqj s VAL 109 CO 0.10 0.50 0.04 0.42 0.00 0.00 0.00 175.10 176.15 2oqj s THR 110 N 0.40 0.52 -0.31 3.92 -4.23 -0.70 -1.43 115.64 113.80 2oqj s THR 110 Ca -0.05 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.75 2oqj s THR 110 Cb -0.15 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 2oqj s THR 110 CO 0.03 -0.21 0.42 -0.69 -0.54 0.00 0.00 174.62 173.64 2oqj s VAL 111 N 1.86 5.12 0.08 2.29 1.01 -1.26 -1.64 120.40 127.86 2oqj s VAL 111 Ca -0.01 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2oqj s VAL 111 Cb -0.17 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2oqj s VAL 111 CO -0.08 -0.01 0.98 -0.55 0.00 0.00 0.00 175.10 175.44 2oqj s SER 112 N 1.69 7.44 0.22 3.32 0.15 0.55 -4.66 113.70 122.41 2oqj s SER 112 Ca 0.16 1.78 -0.09 0.00 0.70 0.00 0.00 55.95 58.50 2oqj s SER 112 Cb -0.16 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.76 2oqj s SER 112 CO 0.11 -0.14 1.89 1.55 1.20 0.00 0.00 173.24 177.85 2oqj h PRO 113 N 5.94 1.13 -6.22 5.44 0.13 -1.97 -1.74 132.00 134.73 2oqj h PRO 113 Ca -0.42 -0.08 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 2oqj h PRO 113 Cb 1.21 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 2oqj h PRO 113 CO 0.73 0.76 1.26 0.00 -0.23 0.00 0.00 178.00 180.52 2oqj s ALA 114 N -6.09 2.65 -2.35 -0.56 0.00 -1.26 -4.59 121.76 109.55 2oqj s ALA 114 Ca -0.13 -0.18 0.22 0.00 0.00 0.00 0.00 51.96 51.88 2oqj s ALA 114 Cb 0.16 -4.11 0.76 0.00 0.00 0.00 0.00 23.12 19.93 2oqj s ALA 114 CO 0.80 -3.06 1.56 -1.13 0.00 0.00 0.00 175.76 173.93 2oqj n SER 115 N 10.89 1.81 -3.65 0.00 3.41 -1.26 -4.46 113.62 120.35 2oqj n SER 115 Ca 0.20 -1.70 -0.15 0.00 -0.26 0.00 0.00 58.87 56.96 2oqj n SER 115 Cb 0.49 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 2oqj n SER 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2oqj s THR 116 N -1.81 0.01 -0.09 6.66 -1.32 -1.26 -4.62 115.64 113.21 2oqj s THR 116 Ca 0.34 -0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.68 2oqj s THR 116 Cb 0.18 -0.81 0.04 0.00 -1.51 0.00 0.00 72.50 70.41 2oqj s THR 116 CO 0.28 -0.05 0.21 -0.75 -2.21 0.00 0.00 174.62 172.09 2oqj s LYS 117 N -0.46 0.15 0.61 7.08 2.20 0.15 -4.94 119.74 124.53 2oqj s LYS 117 Ca -0.06 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 2oqj s LYS 117 Cb -0.03 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.10 2oqj s LYS 117 CO 0.04 -0.17 1.03 0.20 -0.36 0.00 0.00 175.35 176.08 2oqj s GLY 118 N 1.31 1.78 0.36 5.54 0.00 -1.26 -0.87 107.32 114.18 2oqj s GLY 118 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.67 2oqj s GLY 118 CO -0.07 0.32 0.57 2.56 0.00 0.00 0.00 173.10 176.47 2oqj s PRO 119 N -4.84 3.49 -0.01 2.90 0.04 -1.26 -4.46 135.00 130.85 2oqj s PRO 119 Ca 0.57 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 2oqj s PRO 119 Cb -0.12 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 2oqj s PRO 119 CO 0.48 0.12 0.24 -1.12 0.04 0.00 0.00 177.00 176.77 2oqj s SER 120 N -4.04 6.48 -0.29 6.66 0.01 0.06 -4.92 113.70 117.65 2oqj s SER 120 Ca 0.40 0.54 0.03 0.00 1.31 0.00 0.00 55.95 58.23 2oqj s SER 120 Cb -0.10 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.13 2oqj s SER 120 CO 0.37 0.28 -0.04 -0.69 0.41 0.00 0.00 173.24 173.57 2oqj s VAL 121 N -1.26 2.31 -0.18 3.43 1.01 -1.26 -0.75 120.40 123.70 2oqj s VAL 121 Ca 0.26 -1.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.31 2oqj s VAL 121 Cb -0.13 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2oqj s VAL 121 CO 0.15 -0.25 0.02 -0.36 0.00 0.00 0.00 175.10 174.66 2oqj s PHE 122 N 1.05 3.12 0.01 5.22 0.08 -0.38 -4.94 117.98 122.13 2oqj s PHE 122 Ca -0.01 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 2oqj s PHE 122 Cb -0.20 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2oqj s PHE 122 CO -0.06 -0.02 1.20 -2.14 -0.10 0.00 0.00 175.22 174.10 2oqj s PRO 123 N 0.58 4.40 -1.06 0.24 0.02 -1.26 -0.97 135.00 136.94 2oqj s PRO 123 Ca 0.00 1.72 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 2oqj s PRO 123 Cb -0.14 -3.45 0.15 0.00 0.02 0.00 0.00 34.50 31.08 2oqj s PRO 123 CO 0.02 -0.34 1.28 -0.51 -0.33 0.00 0.00 177.00 177.12 2oqj s LEU 124 N 1.61 5.02 0.30 -5.54 1.43 0.90 -4.93 118.68 117.46 2oqj s LEU 124 Ca 0.57 -2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 50.91 2oqj s LEU 124 Cb -0.27 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 2oqj s LEU 124 CO 0.26 -0.93 1.40 0.00 0.23 0.00 0.00 176.35 177.31 2oqj s ALA 125 N 2.24 3.57 0.41 4.21 0.00 -1.26 -1.90 121.76 129.03 2oqj s ALA 125 Ca 0.38 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.42 2oqj s ALA 125 Cb -0.04 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 2oqj s ALA 125 CO -0.05 -0.75 1.23 -1.25 0.00 0.00 0.00 175.76 174.94 2oqj s PRO 126 N -1.13 3.99 -0.46 0.00 0.04 -1.26 -4.93 135.00 131.25 2oqj s PRO 126 Ca 0.55 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2oqj s PRO 126 Cb -0.42 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.45 2oqj s PRO 126 CO 0.50 -0.41 1.13 0.45 0.04 0.00 0.00 177.00 178.70 2oqj s SER 127 N -0.96 6.65 0.00 6.66 0.15 -1.26 -4.34 113.70 120.59 2oqj s SER 127 Ca 0.57 0.50 0.23 0.00 0.70 0.00 0.00 55.95 57.95 2oqj s SER 127 Cb -0.34 -2.55 1.08 0.00 -1.71 0.00 0.00 66.02 62.51 2oqj s SER 127 CO 0.43 -1.22 1.73 -1.54 1.20 0.00 0.00 173.24 173.85 2oqj n SER 128 N 7.74 0.84 0.00 5.45 3.41 -1.26 -3.80 113.62 126.01 2oqj n SER 128 Ca 0.12 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2oqj n SER 128 Cb 0.49 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2oqj n SER 128 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2oqj n LYS 129 N -0.26 3.86 0.00 4.33 0.00 -1.26 -4.96 118.16 119.87 2oqj n LYS 129 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 2oqj n LYS 129 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 35.03 34.94 2oqj n LYS 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2oqj n SER 130 N -0.57 0.00 -2.34 3.14 3.41 -1.25 -4.31 113.62 111.69 2oqj n SER 130 Ca 0.00 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 2oqj n SER 130 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2oqj n SER 130 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2oqj n THR 133 N -0.18 3.35 -3.99 6.66 5.66 -1.26 -5.03 114.28 119.49 2oqj n THR 133 Ca 0.00 -2.83 0.00 0.00 -3.05 0.00 0.00 64.05 58.17 2oqj n THR 133 Cb 0.00 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 2oqj n THR 133 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2oqj n SER 134 N -0.22 -0.41 -3.64 1.09 2.88 -1.26 -3.79 113.62 108.27 2oqj n SER 134 Ca 0.50 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.63 2oqj n SER 134 Cb 0.54 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.01 2oqj n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2oqj n GLY 135 N 0.00 5.59 0.00 0.46 0.00 -1.26 -4.76 105.19 105.22 2oqj n GLY 135 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2oqj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 136 N 0.98 0.96 3.17 -0.02 0.00 -1.25 -4.82 105.19 104.22 2oqj n GLY 136 Ca 0.50 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 2oqj n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oqj s THR 137 N 1.12 1.42 0.18 2.61 -4.23 -1.26 -2.09 115.64 113.38 2oqj s THR 137 Ca 0.00 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 59.86 2oqj s THR 137 Cb 0.00 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 2oqj s THR 137 CO 0.00 0.40 -0.24 0.00 -0.54 0.00 0.00 174.62 174.24 2oqj s ALA 138 N -0.39 2.53 -0.07 3.99 0.00 0.19 -4.86 121.76 123.15 2oqj s ALA 138 Ca 0.06 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.43 2oqj s ALA 138 Cb -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2oqj s ALA 138 CO -0.00 0.46 -0.07 0.00 0.00 0.00 0.00 175.76 176.14 2oqj s ALA 139 N -1.54 2.98 0.07 0.00 0.00 -1.26 -1.02 121.76 120.98 2oqj s ALA 139 Ca 0.20 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2oqj s ALA 139 Cb -0.08 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2oqj s ALA 139 CO 0.09 0.55 0.07 -0.48 0.00 0.00 0.00 175.76 175.99 2oqj s LEU 140 N -0.72 2.01 0.00 0.00 0.05 -0.53 -4.18 118.68 115.31 2oqj s LEU 140 Ca 0.11 -0.88 -0.20 0.00 0.05 0.00 0.00 54.13 53.21 2oqj s LEU 140 Cb -0.11 0.54 0.07 0.00 -2.05 0.00 0.00 46.19 44.64 2oqj s LEU 140 CO 0.02 -0.66 0.99 0.61 -0.55 0.00 0.00 176.35 176.75 2oqj n GLY 141 N 0.03 0.65 3.28 -3.48 0.00 -0.80 -0.47 105.19 104.40 2oqj n GLY 141 Ca -0.14 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2oqj n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqj s LEU 143 N -0.34 3.44 -0.39 0.00 2.96 -0.14 -0.55 118.68 123.66 2oqj s LEU 143 Ca 0.02 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 2oqj s LEU 143 Cb -0.12 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.74 2oqj s LEU 143 CO 0.02 -0.09 0.24 -0.69 -1.32 0.00 0.00 176.35 174.50 2oqj s VAL 144 N 1.53 4.76 0.05 1.68 1.01 0.83 -1.24 120.40 129.01 2oqj s VAL 144 Ca 0.05 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.27 2oqj s VAL 144 Cb -0.16 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2oqj s VAL 144 CO 0.01 -0.27 -0.18 -0.54 0.00 0.00 0.00 175.10 174.12 2oqj s LYS 145 N 1.58 2.06 -0.82 2.72 1.02 0.07 -1.28 119.74 125.10 2oqj s LYS 145 Ca 0.03 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 2oqj s LYS 145 Cb -0.19 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2oqj s LYS 145 CO 0.07 0.54 0.76 -0.25 -0.92 0.00 0.00 175.35 175.55 2oqj n ASP 146 N 1.50 -7.51 -4.23 2.83 8.00 -0.52 -0.76 116.55 115.85 2oqj n ASP 146 Ca -0.16 -0.23 -0.19 0.00 0.71 0.00 0.00 54.79 54.91 2oqj n ASP 146 Cb 0.52 -5.29 -0.12 0.00 -0.02 0.00 0.00 41.12 36.21 2oqj n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2oqj s TYR 147 N -3.10 1.43 -0.13 1.24 1.13 -0.94 -4.06 117.35 112.92 2oqj s TYR 147 Ca 0.12 -0.50 -0.11 0.00 -1.41 0.00 0.00 57.07 55.17 2oqj s TYR 147 Cb -0.02 -0.77 0.04 0.00 -1.10 0.00 0.00 41.96 40.11 2oqj s TYR 147 CO 0.75 0.14 0.34 0.12 -2.51 0.00 0.00 175.55 174.38 2oqj s PHE 148 N -1.71 -0.40 0.00 -3.49 5.36 -0.05 -0.46 117.98 117.23 2oqj s PHE 148 Ca 0.06 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2oqj s PHE 148 Cb -0.07 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 2oqj s PHE 148 CO 0.03 -0.20 0.00 -0.35 -1.46 0.00 0.00 175.22 173.24 2oqj n PRO 149 N 3.19 3.42 -3.56 10.12 -0.04 -1.26 -0.67 135.00 146.20 2oqj n PRO 149 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 2oqj n PRO 149 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 2oqj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2oqj s GLU 150 N 2.91 3.05 0.14 0.54 2.02 -1.26 -4.85 118.70 121.25 2oqj s GLU 150 Ca 0.00 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2oqj s GLU 150 Cb 0.00 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2oqj s GLU 150 CO 0.00 0.08 0.19 -0.35 0.02 0.00 0.00 175.26 175.20 2oqj n PRO 151 N -1.58 0.91 -4.44 0.39 -0.04 -1.26 -4.95 135.00 124.04 2oqj n PRO 151 Ca -0.01 -0.74 -0.20 0.00 -0.04 0.00 0.00 63.50 62.51 2oqj n PRO 151 Cb 0.58 -0.06 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 2oqj n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oqj s VAL 152 N 0.15 0.83 -0.18 0.52 1.01 -1.26 -4.60 120.40 116.87 2oqj s VAL 152 Ca 0.14 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2oqj s VAL 152 Cb -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2oqj s VAL 152 CO 0.09 0.25 0.10 -0.89 0.00 0.00 0.00 175.10 174.65 2oqj s THR 153 N -0.02 5.19 0.05 3.92 2.01 0.16 -4.96 115.64 121.99 2oqj s THR 153 Ca 0.00 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.19 2oqj s THR 153 Cb -0.07 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2oqj s THR 153 CO 0.00 0.48 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.50 2oqj s VAL 154 N 0.09 1.77 0.20 3.82 1.01 -1.26 -0.35 120.40 125.68 2oqj s VAL 154 Ca 0.08 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 2oqj s VAL 154 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2oqj s VAL 154 CO -0.00 0.20 0.40 -0.94 0.00 0.00 0.00 175.10 174.76 2oqj s SER 156 N -1.30 -0.07 -0.08 3.32 1.04 -0.89 -4.98 113.70 110.73 2oqj s SER 156 Ca 0.08 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 55.77 2oqj s SER 156 Cb -0.09 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2oqj s SER 156 CO 0.02 -1.00 -0.23 0.26 0.98 0.00 0.00 173.24 173.27 2oqj s TRP 157 N -3.96 2.41 -1.09 5.02 0.52 -1.26 -0.18 118.94 120.40 2oqj s TRP 157 Ca 0.17 -0.88 -0.15 0.00 0.02 0.00 0.00 56.10 55.26 2oqj s TRP 157 Cb 0.01 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 2oqj s TRP 157 CO 0.02 -0.33 0.84 0.09 0.02 0.00 0.00 176.95 177.59 2oqj n ASN 162 N 3.32 -5.92 0.00 2.95 3.02 0.10 -1.40 115.26 117.33 2oqj n ASN 162 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 2oqj n ASN 162 Cb 0.53 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 2oqj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2oqj n SER 163 N -2.88 -2.86 0.00 6.41 7.64 -1.26 -1.55 113.62 119.12 2oqj n SER 163 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2oqj n SER 163 Cb 0.60 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 2oqj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2oqj n GLY 164 N -0.62 1.04 0.15 0.23 0.00 -0.49 -5.01 105.19 100.50 2oqj n GLY 164 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2oqj n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqj h ALA 165 N 0.00 0.11 -1.94 4.61 0.00 -0.82 -3.42 119.26 117.79 2oqj h ALA 165 Ca 0.00 -0.57 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 2oqj h ALA 165 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2oqj h ALA 165 CO 0.00 0.39 0.65 -1.17 0.00 0.00 0.00 179.25 179.12 2oqj s LEU 166 N -8.38 3.94 -0.02 0.00 2.96 -1.04 -4.84 118.68 111.32 2oqj s LEU 166 Ca -0.13 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2oqj s LEU 166 Cb 0.04 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 2oqj s LEU 166 CO 0.83 -0.99 0.01 0.35 -1.32 0.00 0.00 176.35 175.23 2oqj n THR 167 N 6.27 0.10 -2.61 3.68 -2.24 -1.26 -4.21 114.28 114.02 2oqj n THR 167 Ca 0.08 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2oqj n THR 167 Cb 0.48 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 2oqj n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2oqj s SER 168 N -3.05 7.19 0.00 3.42 0.15 -1.26 -3.48 113.70 116.67 2oqj s SER 168 Ca -0.01 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2oqj s SER 168 Cb 0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2oqj s SER 168 CO 0.07 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2oqj n GLY 169 N 3.17 0.75 3.74 9.45 0.00 -1.26 -4.81 105.19 116.22 2oqj n GLY 169 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2oqj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqj s VAL 171 N -2.37 4.90 -0.16 1.61 1.01 -1.23 -2.92 120.40 121.25 2oqj s VAL 171 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2oqj s VAL 171 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2oqj s VAL 171 CO 0.00 0.34 -0.14 -1.00 0.00 0.00 0.00 175.10 174.30 2oqj s HIS 172 N 0.21 2.26 -0.25 5.22 3.76 -0.16 -5.01 115.29 121.32 2oqj s HIS 172 Ca 0.36 -1.31 -0.08 0.00 -0.15 0.00 0.00 55.06 53.88 2oqj s HIS 172 Cb -0.19 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 2oqj s HIS 172 CO 0.19 -0.69 0.08 0.99 -0.85 0.00 0.00 174.74 174.46 2oqj s THR 173 N 1.46 4.44 0.36 1.30 2.01 -1.26 -0.98 115.64 122.97 2oqj s THR 173 Ca 0.04 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 2oqj s THR 173 Cb -0.13 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 2oqj s THR 173 CO -0.11 0.34 0.80 -0.36 -0.69 0.00 0.00 174.62 174.60 2oqj s PHE 174 N 1.54 3.36 0.34 4.92 0.08 -0.86 -5.03 117.98 122.34 2oqj s PHE 174 Ca 0.06 1.32 -0.28 0.00 0.12 0.00 0.00 56.93 58.16 2oqj s PHE 174 Cb -0.15 -2.62 -0.12 0.00 -0.57 0.00 0.00 43.02 39.55 2oqj s PHE 174 CO 0.04 0.01 1.25 -2.30 -0.10 0.00 0.00 175.22 174.13 2oqj n PRO 175 N -0.53 2.01 -1.10 0.24 -0.02 -1.26 -4.66 135.00 129.68 2oqj n PRO 175 Ca 0.05 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 2oqj n PRO 175 Cb 0.53 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2oqj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oqj s ALA 176 N -1.10 1.83 -0.03 3.55 0.00 -1.26 -4.82 121.76 119.92 2oqj s ALA 176 Ca 0.56 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.81 2oqj s ALA 176 Cb -0.58 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 2oqj s ALA 176 CO 0.62 -2.19 -0.16 0.08 0.00 0.00 0.00 175.76 174.11 2oqj s VAL 177 N -2.84 1.28 -0.39 0.00 1.01 0.45 -4.95 120.40 114.96 2oqj s VAL 177 Ca 0.63 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 2oqj s VAL 177 Cb -0.19 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2oqj s VAL 177 CO 0.57 0.37 0.60 -0.22 0.00 0.00 0.00 175.10 176.42 2oqj s LEU 178 N -0.07 4.39 0.50 3.92 2.96 -1.26 -1.59 118.68 127.53 2oqj s LEU 178 Ca -0.00 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 2oqj s LEU 178 Cb -0.09 -2.69 -0.06 0.00 0.50 0.00 0.00 46.19 43.84 2oqj s LEU 178 CO 0.01 -0.63 0.90 -1.10 -1.32 0.00 0.00 176.35 174.21 2oqj s GLN 179 N 2.64 3.77 0.56 1.98 -0.21 -0.69 -4.94 119.66 122.77 2oqj s GLN 179 Ca 0.22 0.66 0.29 0.00 0.02 0.00 0.00 55.36 56.55 2oqj s GLN 179 Cb -0.15 -2.23 1.59 0.00 1.00 0.00 0.00 33.01 33.23 2oqj s GLN 179 CO 0.16 -0.26 1.88 0.66 -2.12 0.00 0.00 175.29 175.61 2oqj h SER 180 N 0.65 0.00 1.09 5.90 4.64 -1.97 0.39 113.55 124.25 2oqj h SER 180 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2oqj h SER 180 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2oqj h SER 180 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 2oqj n SER 182 N -2.70 0.53 0.00 4.97 3.41 -1.26 -4.90 113.62 113.67 2oqj n SER 182 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2oqj n SER 182 Cb 0.26 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2oqj n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oqj n GLY 183 N 0.88 0.76 3.59 5.00 0.00 0.14 -5.06 105.19 110.50 2oqj n GLY 183 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2oqj n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqj s LEU 184 N 0.00 3.15 0.58 0.99 1.02 -1.24 -4.88 118.68 118.29 2oqj s LEU 184 Ca 0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 54.13 53.89 2oqj s LEU 184 Cb 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2oqj s LEU 184 CO 0.00 0.27 0.93 -0.31 0.02 0.00 0.00 176.35 177.25 2oqj s TYR 185 N -1.03 3.50 -0.27 0.29 2.02 0.39 -1.70 117.35 120.55 2oqj s TYR 185 Ca 0.18 0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 57.68 2oqj s TYR 185 Cb -0.11 -2.62 0.08 0.00 -0.40 0.00 0.00 41.96 38.91 2oqj s TYR 185 CO 0.08 -0.63 0.68 0.45 -1.57 0.00 0.00 175.55 174.56 2oqj s SER 186 N -4.20 -0.90 0.10 2.29 0.15 -0.62 -1.44 113.70 109.08 2oqj s SER 186 Ca 0.52 1.48 -0.01 0.00 0.70 0.00 0.00 55.95 58.64 2oqj s SER 186 Cb -0.11 1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 65.53 2oqj s SER 186 CO 0.49 -0.24 0.01 -1.48 1.20 0.00 0.00 173.24 173.22 2oqj s LEU 187 N 1.49 2.12 0.03 3.45 0.05 -0.40 -0.41 118.68 125.00 2oqj s LEU 187 Ca -0.09 -1.11 0.08 0.00 0.05 0.00 0.00 54.13 53.06 2oqj s LEU 187 Cb -0.05 0.21 -0.02 0.00 -2.05 0.00 0.00 46.19 44.27 2oqj s LEU 187 CO -0.17 -0.65 -0.24 -0.94 -0.55 0.00 0.00 176.35 173.80 2oqj s SER 188 N -3.01 2.83 -0.13 1.48 1.04 -1.26 -0.12 113.70 114.53 2oqj s SER 188 Ca 0.17 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2oqj s SER 188 Cb 0.07 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2oqj s SER 188 CO -0.03 0.24 -0.13 -0.55 0.98 0.00 0.00 173.24 173.75 2oqj s SER 189 N -1.03 2.51 0.29 7.02 0.15 0.29 -2.03 113.70 120.90 2oqj s SER 189 Ca 0.10 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.43 2oqj s SER 189 Cb -0.09 -1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 2oqj s SER 189 CO 0.01 -0.05 -0.17 0.68 1.20 0.00 0.00 173.24 174.92 2oqj s VAL 190 N 1.38 2.48 -0.05 4.45 -7.23 -0.15 -0.23 120.40 121.06 2oqj s VAL 190 Ca 0.02 -2.34 -0.08 0.00 -1.81 0.00 0.00 61.98 57.76 2oqj s VAL 190 Cb -0.13 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2oqj s VAL 190 CO -0.08 -0.36 0.20 0.54 -0.31 0.00 0.00 175.10 175.10 2oqj s VAL 191 N -2.52 0.03 -0.17 1.32 0.11 0.38 -0.98 120.40 118.57 2oqj s VAL 191 Ca 0.31 -0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 2oqj s VAL 191 Cb -0.04 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2oqj s VAL 191 CO 0.16 -0.15 -0.01 0.42 -3.33 0.00 0.00 175.10 172.19 2oqj s THR 192 N -0.52 4.07 0.08 5.04 -4.23 -1.15 -1.45 115.64 117.48 2oqj s THR 192 Ca -0.06 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2oqj s THR 192 Cb -0.04 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2oqj s THR 192 CO 0.01 0.47 -0.07 0.68 -0.54 0.00 0.00 174.62 175.17 2oqj s VAL 193 N 0.51 0.65 0.32 2.29 -7.23 -0.19 -4.80 120.40 111.95 2oqj s VAL 193 Ca -0.02 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 2oqj s VAL 193 Cb -0.14 -1.34 -0.12 0.00 0.56 0.00 0.00 36.38 35.34 2oqj s VAL 193 CO 0.02 -0.71 1.39 -2.65 -0.31 0.00 0.00 175.10 172.84 2oqj n PRO 194 N 0.45 2.27 0.23 4.82 -0.02 -1.26 -0.64 135.00 140.85 2oqj n PRO 194 Ca -0.16 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2oqj n PRO 194 Cb 0.59 -2.45 0.53 0.00 -0.02 0.00 0.00 33.50 32.15 2oqj n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2oqj h SER 195 N 3.26 0.00 1.07 2.55 0.02 -1.74 -2.80 113.55 115.91 2oqj h SER 195 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2oqj h SER 195 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2oqj h SER 195 CO 0.68 0.23 0.00 0.77 -1.14 0.00 0.00 176.83 177.37 2oqj h SER 196 N 0.00 0.00 0.69 3.07 4.64 -1.90 -2.96 113.55 117.10 2oqj h SER 196 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oqj h SER 196 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2oqj h SER 196 CO 0.03 0.00 -0.40 -1.54 -0.87 0.00 0.00 176.83 174.05 2oqj n SER 197 N -2.62 0.43 -0.35 4.97 3.41 -1.06 -4.12 113.62 114.29 2oqj n SER 197 Ca 0.02 -0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.64 2oqj n SER 197 Cb 0.32 0.04 0.17 0.00 -0.26 0.00 0.00 64.21 64.48 2oqj n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2oqj h LEU 198 N 0.00 1.05 -0.26 1.04 3.38 -1.65 0.24 115.31 119.10 2oqj h LEU 198 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2oqj h LEU 198 Cb 0.55 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2oqj h LEU 198 CO 0.00 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2oqj n GLY 199 N -1.38 -0.70 1.85 0.83 0.00 -1.26 -4.41 105.19 100.12 2oqj n GLY 199 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2oqj n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oqj n THR 200 N -0.56 0.09 -2.47 2.61 -2.24 -1.02 -5.07 114.28 105.62 2oqj n THR 200 Ca 0.16 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 2oqj n THR 200 Cb 0.14 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 2oqj n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2oqj s GLN 203 N -2.00 4.24 0.21 -0.78 2.00 0.80 -5.02 119.66 119.10 2oqj s GLN 203 Ca 0.00 1.60 -0.13 0.00 -2.00 0.00 0.00 55.36 54.83 2oqj s GLN 203 Cb 0.00 -3.73 -0.07 0.00 0.80 0.00 0.00 33.01 30.01 2oqj s GLN 203 CO 0.00 -0.68 0.58 0.95 -0.50 0.00 0.00 175.29 175.64 2oqj s THR 205 N 3.38 4.85 -0.20 -0.34 -4.23 -1.26 -4.60 115.64 113.25 2oqj s THR 205 Ca 0.53 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 2oqj s THR 205 Cb -0.20 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.00 2oqj s THR 205 CO 0.13 0.06 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.84 2oqj s TYR 206 N -1.68 2.52 -0.08 3.99 2.02 -1.26 -5.00 117.35 117.87 2oqj s TYR 206 Ca 0.44 -1.63 0.03 0.00 -0.37 0.00 0.00 57.07 55.54 2oqj s TYR 206 Cb -0.13 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2oqj s TYR 206 CO 0.20 -0.76 -0.17 0.42 -1.57 0.00 0.00 175.55 173.68 2oqj s ILE 207 N 1.36 2.81 -0.14 2.71 1.01 -1.26 -0.09 121.20 127.60 2oqj s ILE 207 Ca -0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 2oqj s ILE 207 Cb -0.16 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2oqj s ILE 207 CO -0.09 0.56 0.01 0.00 0.00 0.00 0.00 174.94 175.43 2oqj s ASN 209 N -0.08 5.75 -0.21 0.00 -0.87 0.75 -2.66 114.94 117.62 2oqj s ASN 209 Ca 0.04 -0.86 -0.07 0.00 -1.57 0.00 0.00 52.86 50.40 2oqj s ASN 209 Cb -0.13 -2.04 -0.04 0.00 -0.02 0.00 0.00 41.25 39.03 2oqj s ASN 209 CO 0.02 -0.34 0.07 -0.69 -2.57 0.00 0.00 177.10 173.58 2oqj s VAL 210 N 1.59 4.64 -0.17 1.60 1.01 -0.11 -2.10 120.40 126.86 2oqj s VAL 210 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2oqj s VAL 210 Cb -0.19 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2oqj s VAL 210 CO 0.07 0.41 -0.19 0.21 0.00 0.00 0.00 175.10 175.60 2oqj s ASN 211 N 0.86 3.29 -0.57 3.32 2.47 0.53 -1.76 114.94 123.07 2oqj s ASN 211 Ca 0.04 -0.59 0.04 0.00 0.42 0.00 0.00 52.86 52.77 2oqj s ASN 211 Cb -0.14 -1.50 0.15 0.00 -1.45 0.00 0.00 41.25 38.31 2oqj s ASN 211 CO 0.02 0.04 0.34 -2.28 -3.72 0.00 0.00 177.10 171.50 2oqj s HIS 212 N 1.09 3.13 0.25 0.43 5.65 -0.33 -0.66 115.29 124.85 2oqj s HIS 212 Ca -0.00 -3.13 -0.04 0.00 0.25 0.00 0.00 55.06 52.14 2oqj s HIS 212 Cb -0.14 -2.63 0.49 0.00 -1.18 0.00 0.00 32.58 29.12 2oqj s HIS 212 CO -0.07 -0.68 1.69 0.87 -0.65 0.00 0.00 174.74 175.91 2oqj h LYS 213 N 6.10 0.30 -0.97 2.88 1.79 -1.81 -1.88 116.57 122.99 2oqj h LYS 213 Ca 0.02 -0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.67 2oqj h LYS 213 Cb 0.85 -0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.32 2oqj h LYS 213 CO 0.67 0.20 0.55 -1.35 -1.08 0.00 0.00 179.45 178.44 2oqj h PRO 214 N 0.31 0.63 -0.32 3.15 0.11 -1.92 -1.84 132.00 132.13 2oqj h PRO 214 Ca 0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2oqj h PRO 214 Cb 0.73 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2oqj h PRO 214 CO -0.49 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 176.59 2oqj n SER 215 N -4.85 3.06 -1.09 -2.05 3.41 -1.02 -4.96 113.62 106.12 2oqj n SER 215 Ca 0.23 -1.89 -0.14 0.00 -0.26 0.00 0.00 58.87 56.81 2oqj n SER 215 Cb 0.60 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2oqj n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2oqj n ASN 216 N 1.10 -5.59 -4.69 4.04 3.02 -0.69 -4.94 115.26 107.51 2oqj n ASN 216 Ca 0.15 0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 2oqj n ASN 216 Cb 0.50 -4.34 -0.03 0.00 -0.61 0.00 0.00 39.78 35.30 2oqj n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2oqj s THR 217 N -2.24 4.67 -0.10 3.41 2.01 -0.97 -4.94 115.64 117.48 2oqj s THR 217 Ca 0.00 1.94 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 2oqj s THR 217 Cb 0.00 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.29 2oqj s THR 217 CO 0.00 0.03 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.34 2oqj s LYS 218 N 1.87 1.49 -0.05 4.92 1.02 -1.26 -1.19 119.74 126.53 2oqj s LYS 218 Ca 0.51 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.27 2oqj s LYS 218 Cb -0.20 -1.53 0.01 0.00 -0.52 0.00 0.00 37.83 35.59 2oqj s LYS 218 CO 0.21 -0.23 -0.12 0.08 -0.92 0.00 0.00 175.35 174.36 2oqj s VAL 219 N 1.59 1.12 -0.34 3.17 1.01 -0.72 -5.00 120.40 121.23 2oqj s VAL 219 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2oqj s VAL 219 Cb -0.13 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.33 2oqj s VAL 219 CO -0.07 0.34 0.06 -1.81 0.00 0.00 0.00 175.10 173.63 2oqj s ASP 220 N 0.49 4.93 -0.19 3.32 1.01 -1.26 -0.94 116.67 124.03 2oqj s ASP 220 Ca -0.11 -1.75 -0.04 0.00 0.71 0.00 0.00 52.55 51.37 2oqj s ASP 220 Cb -0.14 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2oqj s ASP 220 CO 0.03 -0.37 -0.03 -0.75 0.21 0.00 0.00 175.17 174.26 2oqj s LYS 221 N 1.11 3.55 -0.12 8.23 2.47 -1.09 -4.94 119.74 128.95 2oqj s LYS 221 Ca 0.03 -0.56 -0.21 0.00 -1.56 0.00 0.00 55.97 53.66 2oqj s LYS 221 Cb -0.21 -2.99 -0.03 0.00 -1.46 0.00 0.00 37.83 33.14 2oqj s LYS 221 CO -0.04 0.02 0.62 -1.59 0.16 0.00 0.00 175.35 174.52 2oqj s LYS 222 N 0.96 4.34 -0.28 4.03 0.00 -1.26 -1.83 119.74 125.70 2oqj s LYS 222 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 55.97 56.55 2oqj s LYS 222 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 37.83 34.15 2oqj s LYS 222 CO 0.01 -0.01 0.19 0.08 0.00 0.00 0.00 175.35 175.62 2oqj s VAL 225 N 1.12 5.31 0.05 1.79 1.01 0.87 -4.97 120.40 125.58 2oqj s VAL 225 Ca 0.32 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2oqj s VAL 225 Cb -0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2oqj s VAL 225 CO 0.13 0.25 -0.06 -1.61 0.00 0.00 0.00 175.10 173.82 2oqj s GLU 226 N 1.71 0.52 0.50 2.72 2.02 -1.26 -4.18 118.70 120.73 2oqj s GLU 226 Ca 0.07 -0.85 -0.23 0.00 0.02 0.00 0.00 54.97 53.99 2oqj s GLU 226 Cb -0.16 -0.12 -0.07 0.00 0.10 0.00 0.00 34.13 33.88 2oqj s GLU 226 CO 0.10 -0.00 1.18 -0.35 0.02 0.00 0.00 175.26 176.21 2oqj n PRO 227 N 1.14 1.52 0.00 0.39 -0.04 -1.26 -4.59 135.00 132.16 2oqj n PRO 227 Ca -0.21 0.55 0.16 0.00 -0.04 0.00 0.00 63.50 63.97 2oqj n PRO 227 Cb 0.56 -2.32 0.95 0.00 -0.04 0.00 0.00 33.50 32.65 2oqj n PRO 227 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63