#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqj s VAL 2 N 0.00 2.64 0.01 3.84 1.01 -1.26 -4.62 120.40 122.01 2oqj s VAL 2 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2oqj s VAL 2 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2oqj s VAL 2 CO 0.00 0.01 0.04 -1.10 0.00 0.00 0.00 175.10 174.05 2oqj s GLN 3 N 2.15 0.35 0.11 2.72 -0.21 -0.79 -4.99 119.66 119.02 2oqj s GLN 3 Ca 0.76 -0.46 0.05 0.00 0.02 0.00 0.00 55.36 55.73 2oqj s GLN 3 Cb -0.44 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 2oqj s GLN 3 CO 0.33 -0.07 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.79 2oqj s LEU 4 N -1.28 2.39 -0.15 2.90 1.02 -1.26 -0.73 118.68 121.57 2oqj s LEU 4 Ca -0.14 -0.80 -0.06 0.00 0.02 0.00 0.00 54.13 53.16 2oqj s LEU 4 Cb -0.08 -0.51 0.07 0.00 0.02 0.00 0.00 46.19 45.69 2oqj s LEU 4 CO 0.00 -0.16 0.32 0.54 0.02 0.00 0.00 176.35 177.07 2oqj s VAL 5 N -2.12 -0.40 0.12 -1.59 0.11 -0.13 -4.22 120.40 112.17 2oqj s VAL 5 Ca 0.07 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2oqj s VAL 5 Cb -0.05 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 2oqj s VAL 5 CO 0.02 0.09 0.32 -1.61 -3.33 0.00 0.00 175.10 170.60 2oqj s GLU 6 N 2.24 3.55 0.18 1.54 8.01 -1.26 -1.46 118.70 131.49 2oqj s GLU 6 Ca -0.02 -0.24 -0.11 0.00 0.01 0.00 0.00 54.97 54.62 2oqj s GLU 6 Cb -0.11 -2.91 -0.00 0.00 -4.31 0.00 0.00 34.13 26.79 2oqj s GLU 6 CO -0.10 0.51 0.35 -1.54 0.01 0.00 0.00 175.26 174.48 2oqj s SER 7 N -2.54 -0.03 0.00 -0.19 1.04 -0.50 -4.84 113.70 106.64 2oqj s SER 7 Ca 0.39 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2oqj s SER 7 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2oqj s SER 7 CO 0.26 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2oqj n GLY 8 N -0.26 1.97 3.61 7.32 0.00 -1.26 -1.69 105.19 114.88 2oqj n GLY 8 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.15 -0.73 0.00 -0.02 0.00 -1.26 -4.80 105.19 98.23 2oqj n GLY 9 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.65 -0.53 3.78 -0.02 0.00 -0.67 -4.96 105.19 103.45 2oqj n GLY 10 Ca 0.11 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 4.31 0.02 0.99 1.02 -1.26 -1.57 118.68 122.19 2oqj s LEU 11 Ca 0.00 0.49 0.02 0.00 0.02 0.00 0.00 54.13 54.67 2oqj s LEU 11 Cb 0.00 -2.25 -0.01 0.00 0.02 0.00 0.00 46.19 43.94 2oqj s LEU 11 CO 0.00 0.23 -0.07 0.68 0.02 0.00 0.00 176.35 177.21 2oqj s VAL 12 N -0.17 0.54 0.26 -1.59 -7.23 -0.48 -5.00 120.40 106.72 2oqj s VAL 12 Ca 0.15 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 2oqj s VAL 12 Cb -0.13 -0.53 -0.08 0.00 0.56 0.00 0.00 36.38 36.20 2oqj s VAL 12 CO 0.04 -0.10 0.73 -0.54 -0.31 0.00 0.00 175.10 174.92 2oqj s LYS 13 N -0.84 4.18 0.24 4.82 1.02 -1.26 -0.72 119.74 127.18 2oqj s LYS 13 Ca -0.03 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.48 2oqj s LYS 13 Cb -0.06 -2.74 -0.15 0.00 -0.52 0.00 0.00 37.83 34.36 2oqj s LYS 13 CO 0.00 0.32 0.97 0.00 -0.92 0.00 0.00 175.35 175.72 2oqj n ALA 14 N 0.38 -0.90 0.00 5.17 0.00 -0.99 -1.04 120.51 123.12 2oqj n ALA 14 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2oqj n ALA 14 Cb 0.52 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 1.58 2.43 2.44 0.00 0.00 0.30 -4.66 105.19 107.27 2oqj n GLY 15 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 -1.78 3.20 -0.02 0.00 -0.21 -3.90 105.19 100.48 2oqj n GLY 16 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.94 2.01 -0.03 1.61 0.01 -1.26 -2.54 113.70 109.56 2oqj s SER 17 Ca 0.48 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 57.16 2oqj s SER 17 Cb -0.02 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2oqj s SER 17 CO 0.35 0.04 0.08 -0.22 0.41 0.00 0.00 173.24 173.90 2oqj s LEU 18 N -1.44 1.53 -0.18 2.44 2.96 -0.48 -5.02 118.68 118.50 2oqj s LEU 18 Ca 0.03 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 2oqj s LEU 18 Cb -0.09 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.82 2oqj s LEU 18 CO 0.02 -0.05 0.01 -0.63 -1.32 0.00 0.00 176.35 174.39 2oqj s ILE 19 N 0.26 4.29 0.11 6.68 -1.09 -1.26 -0.84 121.20 129.34 2oqj s ILE 19 Ca -0.02 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.24 2oqj s ILE 19 Cb -0.03 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 2oqj s ILE 19 CO -0.01 0.47 0.03 -0.76 -1.23 0.00 0.00 174.94 173.44 2oqj s LEU 20 N 0.49 3.55 0.03 2.97 1.43 0.11 -4.63 118.68 122.64 2oqj s LEU 20 Ca -0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2oqj s LEU 20 Cb -0.14 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2oqj s LEU 20 CO 0.02 0.15 -0.04 -0.94 0.23 0.00 0.00 176.35 175.77 2oqj s SER 21 N -2.52 0.44 -0.10 2.29 1.04 -0.68 -0.01 113.70 114.15 2oqj s SER 21 Ca 0.27 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 2oqj s SER 21 Cb -0.11 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.16 2oqj s SER 21 CO 0.20 -0.36 0.02 0.00 0.98 0.00 0.00 173.24 174.08 2oqj s GLY 23 N 1.99 1.46 0.23 0.00 0.00 -0.54 -1.24 107.32 109.22 2oqj s GLY 23 Ca 0.04 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.38 2oqj s GLY 23 CO -0.06 -1.42 -0.04 -1.34 0.00 0.00 0.00 173.10 170.25 2oqj s VAL 24 N -2.13 1.23 -0.02 1.40 -7.23 -1.25 -0.96 120.40 111.44 2oqj s VAL 24 Ca 0.36 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2oqj s VAL 24 Cb -0.08 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2oqj s VAL 24 CO 0.27 -0.39 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.16 2oqj s SER 25 N -3.32 0.99 -1.21 4.85 0.01 0.09 -4.91 113.70 110.20 2oqj s SER 25 Ca 0.27 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2oqj s SER 25 Cb 0.04 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2oqj s SER 25 CO 0.08 0.06 0.00 0.59 0.41 0.00 0.00 173.24 174.38 2oqj n ASN 26 N 3.23 -4.37 -3.60 2.44 3.02 -1.26 -1.88 115.26 112.84 2oqj n ASN 26 Ca -0.17 0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.56 2oqj n ASN 26 Cb 0.55 -2.89 -0.02 0.00 -0.61 0.00 0.00 39.78 36.81 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 -2.43 -0.39 -0.18 3.10 -0.71 -1.26 -4.65 117.98 111.47 2oqj s PHE 27 Ca 0.00 0.08 -0.05 0.00 -1.04 0.00 0.00 56.93 55.92 2oqj s PHE 27 Cb 0.00 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 2oqj s PHE 27 CO 0.00 -1.00 0.00 1.03 -1.34 0.00 0.00 175.22 173.91 2oqj s ARG 28 N -3.82 3.75 0.41 1.99 1.81 -1.26 -4.97 118.95 116.85 2oqj s ARG 28 Ca 0.05 -0.47 0.19 0.00 -1.72 0.00 0.00 55.73 53.78 2oqj s ARG 28 Cb -0.03 -3.05 0.87 0.00 -0.45 0.00 0.00 34.95 32.29 2oqj s ARG 28 CO -0.05 0.18 1.84 -0.84 -0.68 0.00 0.00 175.30 175.75 2oqj h ILE 29 N 5.14 0.93 0.00 1.52 3.07 -1.94 -3.18 117.51 123.05 2oqj h ILE 29 Ca -0.34 -1.22 0.00 0.00 1.55 0.00 0.00 64.86 64.85 2oqj h ILE 29 Cb 1.18 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 2oqj h ILE 29 CO 0.64 0.31 0.35 0.77 -1.05 0.00 0.00 178.15 179.17 2oqj h SER 30 N 0.00 0.00 -0.02 2.16 4.64 -1.95 0.47 113.55 118.85 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 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2oqj h SER 30 CO 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2oqj n ALA 31 N -1.73 2.54 -2.77 5.18 0.00 -1.20 -4.63 120.51 117.90 2oqj n ALA 31 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 2oqj n ALA 31 Cb 0.39 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 2oqj n ALA 31 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2oqj s HIS 32 N -2.00 0.76 -0.04 0.00 3.76 0.17 -5.04 115.29 112.89 2oqj s HIS 32 Ca 0.35 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 2oqj s HIS 32 Cb 0.21 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2oqj s HIS 32 CO 0.32 -0.03 1.24 0.99 -0.85 0.00 0.00 174.74 176.42 2oqj s THR 33 N -0.82 4.14 0.03 1.30 2.01 -1.26 -4.31 115.64 116.73 2oqj s THR 33 Ca -0.03 1.47 -0.04 0.00 0.31 0.00 0.00 61.69 63.41 2oqj s THR 33 Cb -0.07 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2oqj s THR 33 CO 0.00 -0.00 0.24 -0.04 -0.69 0.00 0.00 174.62 174.13 2oqj s MET 34 N 2.26 3.51 0.06 4.92 1.00 -0.81 -1.77 119.30 128.46 2oqj s MET 34 Ca 0.58 -0.24 0.04 0.00 0.00 0.00 0.00 55.69 56.07 2oqj s MET 34 Cb -0.26 -3.05 -0.03 0.00 0.00 0.00 0.00 34.83 31.50 2oqj s MET 34 CO 0.23 0.62 -0.13 -0.80 0.00 0.00 0.00 175.02 174.95 2oqj s ASN 35 N -2.06 1.46 -0.15 3.03 0.01 0.60 -1.37 114.94 116.47 2oqj s ASN 35 Ca 0.31 -0.56 -0.03 0.00 -0.71 0.00 0.00 52.86 51.87 2oqj s ASN 35 Cb -0.13 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.47 2oqj s ASN 35 CO 0.21 -0.08 -0.05 0.26 -1.51 0.00 0.00 177.10 175.92 2oqj s TRP 36 N -1.20 2.99 0.04 2.20 0.52 0.84 -0.48 118.94 123.84 2oqj s TRP 36 Ca -0.03 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2oqj s TRP 36 Cb -0.09 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2oqj s TRP 36 CO 0.02 -0.06 -0.13 0.08 0.02 0.00 0.00 176.95 176.88 2oqj s VAL 37 N 0.34 1.00 0.03 4.03 1.01 0.67 -0.64 120.40 126.84 2oqj s VAL 37 Ca -0.05 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2oqj s VAL 37 Cb -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2oqj s VAL 37 CO 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 175.10 174.94 2oqj s ARG 38 N -1.09 1.17 -0.28 2.72 1.70 -0.51 0.51 118.95 123.16 2oqj s ARG 38 Ca 0.00 -0.77 -0.10 0.00 -0.47 0.00 0.00 55.73 54.39 2oqj s ARG 38 Cb -0.08 -1.20 -0.04 0.00 -0.57 0.00 0.00 34.95 33.07 2oqj s ARG 38 CO 0.01 0.31 0.16 0.50 -1.08 0.00 0.00 175.30 175.20 2oqj s ARG 39 N -0.96 3.75 0.49 3.89 3.52 0.90 -1.29 118.95 129.25 2oqj s ARG 39 Ca 0.05 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.02 2oqj s ARG 39 Cb -0.08 -3.59 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 2oqj s ARG 39 CO 0.01 -0.25 0.98 0.14 -0.81 0.00 0.00 175.30 175.38 2oqj s VAL 40 N 1.70 4.36 0.58 7.11 -7.23 -0.86 -1.63 120.40 124.43 2oqj s VAL 40 Ca 0.06 1.27 0.29 0.00 -1.81 0.00 0.00 61.98 61.79 2oqj s VAL 40 Cb -0.16 -3.63 0.39 0.00 0.56 0.00 0.00 36.38 33.54 2oqj s VAL 40 CO 0.09 -0.51 1.91 1.55 -0.31 0.00 0.00 175.10 177.82 2oqj h PRO 41 N 1.27 0.00 -0.51 4.82 0.13 -1.90 0.15 132.00 135.95 2oqj h PRO 41 Ca -0.48 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.76 2oqj h PRO 41 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2oqj h PRO 41 CO 0.61 0.00 0.35 0.78 -0.23 0.00 0.00 178.00 179.51 2oqj h GLY 42 N 0.00 0.29 0.00 1.56 0.00 -1.96 -3.46 103.07 99.50 2oqj h GLY 42 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2oqj h GLY 42 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.20 2oqj n GLY 43 N -1.57 1.15 3.96 4.60 0.00 0.51 -5.12 105.19 108.72 2oqj n GLY 43 Ca 0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.60 1.76 -0.03 -0.02 0.00 -1.26 -4.78 107.32 102.38 2oqj s GLY 44 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2oqj s GLY 44 CO 0.00 -0.87 -0.01 1.08 0.00 0.00 0.00 173.10 173.30 2oqj s LEU 45 N -5.14 3.49 -0.11 0.66 1.43 -1.26 -2.03 118.68 115.71 2oqj s LEU 45 Ca 0.63 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2oqj s LEU 45 Cb -0.08 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2oqj s LEU 45 CO 0.44 0.32 -0.19 -1.61 0.23 0.00 0.00 176.35 175.53 2oqj s GLU 46 N -1.26 3.17 0.06 1.70 2.02 -0.41 -4.99 118.70 118.98 2oqj s GLU 46 Ca 0.17 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 2oqj s GLU 46 Cb -0.11 -2.43 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 2oqj s GLU 46 CO 0.07 0.20 1.27 -0.46 0.02 0.00 0.00 175.26 176.36 2oqj s TRP 47 N 0.32 3.31 -0.19 1.61 -0.00 -1.26 -1.42 118.94 121.30 2oqj s TRP 47 Ca -0.15 1.16 -0.17 0.00 -0.00 0.00 0.00 56.10 56.93 2oqj s TRP 47 Cb -0.17 -3.51 -0.07 0.00 -0.00 0.00 0.00 33.47 29.72 2oqj s TRP 47 CO 0.07 -1.67 -0.34 0.28 -0.00 0.00 0.00 176.95 175.29 2oqj n VAL 48 N 4.07 1.50 -3.49 5.86 0.31 0.19 -4.56 118.33 122.21 2oqj n VAL 48 Ca 0.10 0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.35 2oqj n VAL 48 Cb 0.45 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 31.04 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 -2.85 -1.72 0.05 3.52 0.00 -1.04 -0.91 121.76 118.81 2oqj s ALA 49 Ca -0.30 1.04 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2oqj s ALA 49 Cb 0.05 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 2oqj s ALA 49 CO 0.43 -0.51 -0.06 -1.54 0.00 0.00 0.00 175.76 174.08 2oqj s SER 50 N -1.74 0.78 -0.06 0.00 1.04 0.31 -0.11 113.70 113.91 2oqj s SER 50 Ca -0.06 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 2oqj s SER 50 Cb -0.00 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2oqj s SER 50 CO 0.02 -0.33 -0.02 -0.51 0.98 0.00 0.00 173.24 173.38 2oqj s ILE 51 N -2.21 0.44 0.69 -1.02 2.07 -0.47 -0.62 121.20 120.09 2oqj s ILE 51 Ca -0.04 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.10 2oqj s ILE 51 Cb -0.04 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.01 2oqj s ILE 51 CO -0.02 0.24 1.06 -0.94 -1.91 0.00 0.00 174.94 173.37 2oqj s SER 52 N 1.48 5.49 0.29 4.50 1.04 0.39 -1.92 113.70 124.96 2oqj s SER 52 Ca -0.02 1.46 -0.29 0.00 0.48 0.00 0.00 55.95 57.58 2oqj s SER 52 Cb -0.13 -2.36 -0.13 0.00 0.10 0.00 0.00 66.02 63.50 2oqj s SER 52 CO -0.03 -1.35 1.25 0.35 0.98 0.00 0.00 173.24 174.43 2oqj n THR 52 N -3.06 1.60 -2.98 2.02 -2.24 -1.26 -0.78 114.28 107.57 2oqj n THR 52 Ca 0.07 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 2oqj n THR 52 Cb 0.54 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.42 2oqj n THR 52 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oqj n SER 53 N 1.39 -2.72 -0.11 3.42 3.41 -1.26 -3.37 113.62 114.39 2oqj n SER 53 Ca 0.09 -0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.63 2oqj n SER 53 Cb 0.33 -2.33 -0.01 0.00 -0.26 0.00 0.00 64.21 61.94 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 -1.94 -4.93 -0.32 4.04 7.64 0.04 -4.89 113.62 113.27 2oqj n SER 54 Ca -0.03 0.03 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2oqj n SER 54 Cb 0.54 -2.55 0.26 0.00 -1.01 0.00 0.00 64.21 61.44 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 0.73 -3.56 0.44 2.02 -1.70 -3.42 112.91 107.42 2oqj h THR 55 Ca -0.03 -0.23 -0.24 0.00 0.77 0.00 0.00 66.41 66.68 2oqj h THR 55 Cb 0.68 -0.02 -0.29 0.00 -1.74 0.00 0.00 68.15 66.78 2oqj h THR 55 CO 0.04 0.12 -0.67 -0.47 0.37 0.00 0.00 175.52 174.92 2oqj s TYR 56 N -5.93 -0.05 -0.07 3.16 5.04 -1.26 -5.02 117.35 113.22 2oqj s TYR 56 Ca -0.12 0.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.73 2oqj s TYR 56 Cb 0.23 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 2oqj s TYR 56 CO 0.79 -0.05 -0.23 1.03 -1.34 0.00 0.00 175.55 175.74 2oqj s ARG 57 N 0.36 2.67 -0.01 4.97 0.52 -1.26 -0.46 118.95 125.75 2oqj s ARG 57 Ca -0.03 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 2oqj s ARG 57 Cb -0.04 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2oqj s ARG 57 CO -0.01 0.36 -0.14 0.34 0.02 0.00 0.00 175.30 175.87 2oqj s ASP 58 N -0.10 1.64 0.08 0.23 2.15 0.21 -4.99 116.67 115.90 2oqj s ASP 58 Ca -0.05 -0.27 0.05 0.00 0.43 0.00 0.00 52.55 52.71 2oqj s ASP 58 Cb -0.14 -0.18 -0.03 0.00 -0.30 0.00 0.00 42.92 42.27 2oqj s ASP 58 CO 0.04 0.16 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.75 2oqj s TYR 59 N -0.37 1.24 0.49 -5.34 2.02 -1.26 -0.53 117.35 113.60 2oqj s TYR 59 Ca 0.05 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.05 2oqj s TYR 59 Cb -0.06 -0.69 -0.07 0.00 -0.40 0.00 0.00 41.96 40.75 2oqj s TYR 59 CO -0.00 0.07 1.17 0.00 -1.57 0.00 0.00 175.55 175.21 2oqj s ALA 60 N -1.48 2.87 0.34 3.71 0.00 -0.09 -4.84 121.76 122.27 2oqj s ALA 60 Ca 0.00 0.92 0.07 0.00 0.00 0.00 0.00 51.96 52.96 2oqj s ALA 60 Cb -0.09 -3.39 0.76 0.00 0.00 0.00 0.00 23.12 20.40 2oqj s ALA 60 CO 0.02 -0.74 1.86 -0.44 0.00 0.00 0.00 175.76 176.46 2oqj h ASP 61 N 1.73 0.71 0.37 0.00 3.32 -1.93 -1.25 116.42 119.37 2oqj h ASP 61 Ca -0.50 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2oqj h ASP 61 Cb 1.26 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 2oqj h ASP 61 CO 0.59 0.37 -0.11 0.00 -1.72 0.00 0.00 179.24 178.37 2oqj h ALA 62 N 1.59 1.27 -0.00 3.45 0.00 -1.97 -3.20 119.26 120.40 2oqj h ALA 62 Ca 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2oqj h ALA 62 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2oqj h ALA 62 CO -0.22 0.13 -0.09 1.33 0.00 0.00 0.00 179.25 180.41 2oqj n VAL 63 N -3.61 0.00 -1.96 0.00 0.24 -0.58 -4.99 118.33 107.44 2oqj n VAL 63 Ca -0.02 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2oqj n VAL 63 Cb 0.23 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.87 4.23 0.00 7.34 2.20 -0.58 -1.83 119.74 130.23 2oqj s LYS 64 Ca 0.05 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2oqj s LYS 64 Cb 0.05 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2oqj s LYS 64 CO 0.13 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2oqj n GLY 65 N 3.67 1.47 0.00 5.54 0.00 -1.26 -4.84 105.19 109.77 2oqj n GLY 65 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.24 -4.15 1.61 1.74 -0.76 -5.04 116.66 110.30 2oqj n ARG 66 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2oqj n ARG 66 Cb 0.00 -0.94 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.82 2.95 -0.05 -1.55 0.40 -0.83 -1.24 117.98 115.84 2oqj s PHE 67 Ca 0.00 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2oqj s PHE 67 Cb 0.00 -1.48 0.04 0.00 0.51 0.00 0.00 43.02 42.09 2oqj s PHE 67 CO 0.00 0.49 0.10 0.99 0.70 0.00 0.00 175.22 177.50 2oqj s THR 68 N -1.49 -0.08 -0.14 0.64 2.01 -0.32 -4.93 115.64 111.34 2oqj s THR 68 Ca 0.27 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.45 2oqj s THR 68 Cb -0.11 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 2oqj s THR 68 CO 0.19 0.10 0.02 0.54 -0.69 0.00 0.00 174.62 174.77 2oqj s VAL 69 N 1.32 4.44 0.19 3.82 0.11 -1.26 0.02 120.40 129.04 2oqj s VAL 69 Ca -0.07 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2oqj s VAL 69 Cb -0.12 -2.95 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 2oqj s VAL 69 CO -0.05 0.52 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.71 2oqj s SER 70 N -0.05 2.15 0.03 3.54 0.01 -0.97 -4.99 113.70 113.42 2oqj s SER 70 Ca 0.04 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2oqj s SER 70 Cb -0.13 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2oqj s SER 70 CO 0.02 -0.31 -0.06 0.00 0.41 0.00 0.00 173.24 173.30 2oqj s ARG 71 N -3.73 0.44 -0.37 12.44 1.70 -1.26 -0.96 118.95 127.20 2oqj s ARG 71 Ca 0.22 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 2oqj s ARG 71 Cb 0.02 -0.19 0.11 0.00 -0.57 0.00 0.00 34.95 34.32 2oqj s ARG 71 CO 0.05 0.03 0.13 0.34 -1.08 0.00 0.00 175.30 174.77 2oqj s ASP 72 N -1.33 4.20 0.26 -2.89 -1.08 0.20 -4.99 116.67 111.04 2oqj s ASP 72 Ca -0.10 -2.18 0.07 0.00 -0.52 0.00 0.00 52.55 49.81 2oqj s ASP 72 Cb -0.09 -1.22 0.33 0.00 -1.46 0.00 0.00 42.92 40.47 2oqj s ASP 72 CO -0.00 -0.35 1.61 0.44 0.52 0.00 0.00 175.17 177.39 2oqj h ASP 73 N 7.44 0.19 0.31 -0.34 3.32 -1.97 0.75 116.42 126.13 2oqj h ASP 73 Ca -0.07 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 2oqj h ASP 73 Cb 0.98 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2oqj h ASP 73 CO 0.51 0.72 -0.63 -0.07 -1.72 0.00 0.00 179.24 178.05 2oqj h LEU 74 N 0.13 0.35 -1.63 1.55 3.38 -1.96 -3.26 115.31 113.87 2oqj h LEU 74 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2oqj h LEU 74 Cb 1.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2oqj h LEU 74 CO 0.08 0.89 0.00 1.21 0.09 0.00 0.00 178.44 180.71 2oqj n GLU 75 N -3.87 0.73 -3.19 1.13 4.07 -1.22 -5.03 120.64 113.25 2oqj n GLU 75 Ca -0.03 -1.21 -0.13 0.00 -0.06 0.00 0.00 57.16 55.74 2oqj n GLU 75 Cb 0.64 -1.18 0.06 0.00 -0.06 0.00 0.00 31.44 30.89 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 0.48 -6.73 -4.15 4.31 8.00 0.13 -4.94 116.55 113.66 2oqj n ASP 76 Ca 0.06 -0.61 -0.21 0.00 0.71 0.00 0.00 54.79 54.74 2oqj n ASP 76 Cb 0.26 -5.15 -0.13 0.00 -0.02 0.00 0.00 41.12 36.07 2oqj n ASP 76 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2oqj s PHE 77 N -3.33 1.28 -0.00 1.24 0.08 -0.47 -3.76 117.98 113.00 2oqj s PHE 77 Ca 0.39 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 57.17 2oqj s PHE 77 Cb -0.05 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2oqj s PHE 77 CO 0.73 0.04 -0.26 0.08 -0.10 0.00 0.00 175.22 175.71 2oqj s VAL 78 N -0.83 2.07 0.18 -0.44 1.01 -0.38 0.62 120.40 122.64 2oqj s VAL 78 Ca 0.02 -1.19 0.11 0.00 0.00 0.00 0.00 61.98 60.92 2oqj s VAL 78 Cb -0.08 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2oqj s VAL 78 CO 0.01 0.51 -0.20 -0.31 0.00 0.00 0.00 175.10 175.11 2oqj s TYR 79 N -0.67 2.39 -0.15 5.22 2.02 -0.14 0.15 117.35 126.18 2oqj s TYR 79 Ca 0.10 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.46 2oqj s TYR 79 Cb -0.10 -1.19 0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2oqj s TYR 79 CO -0.00 0.49 0.04 -1.17 -1.57 0.00 0.00 175.55 173.33 2oqj s LEU 80 N -2.65 0.83 -0.09 -1.29 2.96 0.99 -2.29 118.68 117.13 2oqj s LEU 80 Ca 0.21 -0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 53.36 2oqj s LEU 80 Cb -0.08 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 2oqj s LEU 80 CO 0.11 -0.28 0.67 -1.10 -1.32 0.00 0.00 176.35 174.43 2oqj s GLN 81 N 1.95 4.39 -0.14 1.98 -0.21 0.10 0.04 119.66 127.77 2oqj s GLN 81 Ca 0.01 0.80 0.01 0.00 0.02 0.00 0.00 55.36 56.21 2oqj s GLN 81 Cb -0.15 -3.47 0.02 0.00 1.00 0.00 0.00 33.01 30.41 2oqj s GLN 81 CO -0.07 0.03 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.31 2oqj s MET 82 N 0.96 2.62 0.35 2.91 -1.94 -0.02 -1.17 119.30 123.00 2oqj s MET 82 Ca 0.35 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.69 2oqj s MET 82 Cb -0.17 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.37 2oqj s MET 82 CO 0.16 -0.12 0.03 -1.01 -0.01 0.00 0.00 175.02 174.07 2oqj s HIS 82 N 1.11 2.17 -1.12 -0.03 3.76 -0.37 -1.38 115.29 119.43 2oqj s HIS 82 Ca -0.02 -0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 53.93 2oqj s HIS 82 Cb -0.14 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 32.12 2oqj s HIS 82 CO -0.06 0.20 0.26 1.63 -0.85 0.00 0.00 174.74 175.92 2oqj n LYS 82 N -0.78 -0.67 -2.35 1.40 4.01 -1.18 -4.78 118.16 113.81 2oqj n LYS 82 Ca -0.04 0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.36 2oqj n LYS 82 Cb 0.66 -2.34 -0.03 0.00 -0.51 0.00 0.00 35.03 32.80 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 -6.77 4.52 0.39 1.97 -1.94 -1.05 -4.65 119.30 111.77 2oqj s MET 82 Ca 0.19 1.92 0.08 0.00 -1.71 0.00 0.00 55.69 56.17 2oqj s MET 82 Cb -0.11 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 2oqj s MET 82 CO 0.80 -0.00 0.31 1.03 -0.01 0.00 0.00 175.02 177.15 2oqj s ARG 83 N -0.96 2.53 0.31 2.03 0.52 -1.26 -0.54 118.95 121.57 2oqj s ARG 83 Ca 0.49 -1.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2oqj s ARG 83 Cb -0.34 -2.34 0.49 0.00 0.52 0.00 0.00 34.95 33.28 2oqj s ARG 83 CO 0.41 -0.09 1.86 0.28 0.02 0.00 0.00 175.30 177.79 2oqj h VAL 84 N 1.17 1.21 0.00 3.52 2.07 -1.90 -2.72 116.25 119.61 2oqj h VAL 84 Ca -0.43 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2oqj h VAL 84 Cb 1.26 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2oqj h VAL 84 CO 0.59 0.28 0.00 -1.84 0.02 0.00 0.00 177.57 176.62 2oqj n GLU 85 N -4.30 0.52 0.00 1.57 0.00 -1.26 -2.05 120.64 115.13 2oqj n GLU 85 Ca 0.03 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.37 2oqj n GLU 85 Cb 0.21 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 30.77 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 -1.12 0.82 -4.63 -1.84 8.00 -1.02 -4.86 116.55 111.89 2oqj n ASP 86 Ca 0.14 -1.04 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 2oqj n ASP 86 Cb 0.12 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.21 3.39 0.04 -3.53 2.01 -0.87 -4.86 115.64 109.62 2oqj s THR 87 Ca 0.36 0.44 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 2oqj s THR 87 Cb 0.21 -3.38 0.10 0.00 0.01 0.00 0.00 72.50 69.43 2oqj s THR 87 CO 0.41 -0.15 1.08 0.00 -0.69 0.00 0.00 174.62 175.27 2oqj s ALA 88 N 5.58 -1.91 0.03 7.40 0.00 0.13 -4.44 121.76 128.55 2oqj s ALA 88 Ca 0.81 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 2oqj s ALA 88 Cb -0.31 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2oqj s ALA 88 CO 0.33 -0.95 0.86 0.42 0.00 0.00 0.00 175.76 176.42 2oqj s ILE 89 N -2.90 4.78 -0.20 0.00 1.01 -0.65 -0.87 121.20 122.37 2oqj s ILE 89 Ca 0.11 1.82 -0.05 0.00 0.00 0.00 0.00 60.65 62.53 2oqj s ILE 89 Cb 0.01 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2oqj s ILE 89 CO -0.02 0.27 0.01 -0.31 0.00 0.00 0.00 174.94 174.89 2oqj s TYR 90 N 0.42 3.05 -0.03 3.97 1.51 0.17 -0.07 117.35 126.37 2oqj s TYR 90 Ca 0.44 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 2oqj s TYR 90 Cb -0.21 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2oqj s TYR 90 CO 0.25 -0.21 -0.14 0.71 -1.11 0.00 0.00 175.55 175.05 2oqj s TYR 91 N 0.96 2.71 0.02 2.71 2.02 0.18 -0.45 117.35 125.50 2oqj s TYR 91 Ca 0.02 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2oqj s TYR 91 Cb -0.14 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 2oqj s TYR 91 CO 0.02 0.22 0.19 0.00 -1.57 0.00 0.00 175.55 174.41 2oqj s ALA 93 N -1.40 -0.65 -0.01 0.00 0.00 0.36 -1.96 121.76 118.11 2oqj s ALA 93 Ca 0.30 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2oqj s ALA 93 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2oqj s ALA 93 CO 0.22 -0.22 0.17 -0.98 0.00 0.00 0.00 175.76 174.95 2oqj s ARG 94 N -1.00 3.38 -0.32 0.00 1.70 -0.80 -0.29 118.95 121.62 2oqj s ARG 94 Ca -0.11 -0.35 -0.23 0.00 -0.47 0.00 0.00 55.73 54.57 2oqj s ARG 94 Cb -0.05 -3.06 -0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2oqj s ARG 94 CO 0.03 0.67 0.74 0.21 -1.08 0.00 0.00 175.30 175.87 2oqj s LYS 95 N -1.93 3.91 0.00 3.89 2.20 -0.73 -2.83 119.74 124.26 2oqj s LYS 95 Ca 0.27 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 2oqj s LYS 95 Cb -0.13 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2oqj s LYS 95 CO 0.18 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2oqj n GLY 96 N 4.31 -1.26 1.91 5.54 0.00 -0.16 -4.37 105.19 111.16 2oqj n GLY 96 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2oqj n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oqj n SER 97 N 0.30 -0.58 0.10 1.61 3.41 -1.26 -3.87 113.62 113.32 2oqj n SER 97 Ca 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 58.87 57.35 2oqj n SER 97 Cb 0.00 0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 2oqj n SER 97 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oqj h ASP 98 N 0.95 -1.23 -3.38 4.04 3.32 -2.01 -3.32 116.42 114.79 2oqj h ASP 98 Ca -0.10 0.14 -0.72 0.00 0.02 0.00 0.00 57.03 56.37 2oqj h ASP 98 Cb 0.56 0.47 -0.30 0.00 0.22 0.00 0.00 39.33 40.29 2oqj h ASP 98 CO 0.15 -0.47 -0.44 -0.13 -1.72 0.00 0.00 179.24 176.62 2oqj s ARG 99 N -5.91 2.45 0.13 3.56 0.52 -1.26 -5.08 118.95 113.36 2oqj s ARG 99 Ca -0.16 -1.67 -0.34 0.00 -0.52 0.00 0.00 55.73 53.05 2oqj s ARG 99 Cb 0.08 -3.82 -0.13 0.00 0.52 0.00 0.00 34.95 31.60 2oqj s ARG 99 CO 0.63 -1.09 1.65 1.28 0.02 0.00 0.00 175.30 177.80 2oqj n LEU 100 N 4.86 3.30 0.00 2.53 4.77 -1.25 -4.99 117.00 126.22 2oqj n LEU 100 Ca -0.08 1.06 -0.03 0.00 -0.03 0.00 0.00 56.01 56.92 2oqj n LEU 100 Cb 0.42 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 2oqj n LEU 100 CO 0.40 -0.18 -0.02 -1.54 -1.33 0.00 0.00 177.39 174.72 2oqj n SER 100 N 4.11 0.61 -0.10 -1.43 3.41 -1.26 -5.07 113.62 113.88 2oqj n SER 100 Ca 0.18 -1.32 -0.11 0.00 -0.26 0.00 0.00 58.87 57.36 2oqj n SER 100 Cb 0.30 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.26 0.90 -3.55 4.04 3.32 -2.05 -3.39 116.42 115.95 2oqj h ASP 100 Ca -0.04 -0.38 -0.62 0.00 0.02 0.00 0.00 57.03 56.01 2oqj h ASP 100 Cb 0.18 -0.25 -0.40 0.00 0.22 0.00 0.00 39.33 39.07 2oqj h ASP 100 CO 0.07 1.14 -0.72 0.21 -1.72 0.00 0.00 179.24 178.21 2oqj s ASN 100 N -6.80 4.14 0.11 6.45 2.47 -1.26 -5.12 114.94 114.94 2oqj s ASN 100 Ca -0.10 -2.24 0.02 0.00 0.42 0.00 0.00 52.86 50.96 2oqj s ASN 100 Cb 0.12 -1.21 -0.04 0.00 -1.45 0.00 0.00 41.25 38.67 2oqj s ASN 100 CO 0.86 -0.34 0.20 -1.81 -3.72 0.00 0.00 177.10 172.29 2oqj s ASP 100 N 0.82 6.05 1.02 -4.21 1.01 -1.26 -5.09 116.67 115.00 2oqj s ASP 100 Ca 0.13 0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.42 2oqj s ASP 100 Cb -0.21 -1.76 0.11 0.00 1.01 0.00 0.00 42.92 42.07 2oqj s ASP 100 CO -0.10 0.11 0.58 -0.81 0.21 0.00 0.00 175.17 175.16 2oqj n PRO 100 N -0.09 -0.89 -3.06 8.23 -0.04 -1.25 -4.58 135.00 133.31 2oqj n PRO 100 Ca -0.07 -0.90 -0.44 0.00 -0.04 0.00 0.00 63.50 62.05 2oqj n PRO 100 Cb 0.53 -0.65 -0.05 0.00 -0.04 0.00 0.00 33.50 33.30 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 -2.23 2.93 -0.45 0.54 0.08 -1.26 -0.99 117.98 116.60 2oqj s PHE 100 Ca 0.34 -0.80 0.23 0.00 0.12 0.00 0.00 56.93 56.81 2oqj s PHE 100 Cb -0.01 -4.01 0.08 0.00 -0.57 0.00 0.00 43.02 38.51 2oqj s PHE 100 CO 0.24 -1.33 1.06 -0.40 -0.10 0.00 0.00 175.22 174.69 2oqj n ASP 101 N 6.61 0.66 -3.92 1.36 5.75 -1.13 -4.89 116.55 121.00 2oqj n ASP 101 Ca -0.08 0.06 -0.17 0.00 -0.01 0.00 0.00 54.79 54.60 2oqj n ASP 101 Cb 0.43 0.62 -0.15 0.00 -1.03 0.00 0.00 41.12 40.99 2oqj n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oqj s ALA 102 N -3.27 0.45 0.01 2.12 0.00 -1.26 -5.05 121.76 114.77 2oqj s ALA 102 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2oqj s ALA 102 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2oqj s ALA 102 CO 0.79 0.05 -0.07 -1.58 0.00 0.00 0.00 175.76 174.94 2oqj s TRP 103 N 0.30 0.63 0.82 0.00 0.52 -1.26 -1.90 118.94 118.04 2oqj s TRP 103 Ca -0.03 -0.23 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 2oqj s TRP 103 Cb -0.07 -0.39 0.08 0.00 -1.15 0.00 0.00 33.47 31.95 2oqj s TRP 103 CO -0.00 -0.03 1.10 0.20 0.02 0.00 0.00 176.95 178.24 2oqj s GLY 104 N -0.61 1.62 0.53 0.98 0.00 -0.83 -4.48 107.32 104.52 2oqj s GLY 104 Ca -0.01 -0.20 0.33 0.00 0.00 0.00 0.00 44.72 44.83 2oqj s GLY 104 CO 0.00 0.25 1.95 -0.56 0.00 0.00 0.00 173.10 174.74 2oqj h PRO 105 N -1.20 0.00 0.00 2.90 0.13 -1.92 -3.45 132.00 128.46 2oqj h PRO 105 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2oqj h PRO 105 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2oqj h PRO 105 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2oqj n GLY 106 N 0.09 2.55 3.07 1.56 0.00 -1.26 -5.00 105.19 106.21 2oqj n GLY 106 Ca 0.01 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.73 1.33 -0.00 2.61 -1.32 0.40 -4.86 115.64 112.08 2oqj s THR 107 Ca 0.00 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 59.57 2oqj s THR 107 Cb 0.00 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2oqj s THR 107 CO 0.00 0.40 1.10 -0.69 -2.21 0.00 0.00 174.62 173.22 2oqj s VAL 108 N 0.53 4.45 -0.11 5.08 1.01 -1.26 0.41 120.40 130.51 2oqj s VAL 108 Ca -0.14 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2oqj s VAL 108 Cb -0.16 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2oqj s VAL 108 CO 0.05 0.10 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 2oqj s VAL 109 N 1.37 1.30 -0.03 2.92 1.01 -0.05 -1.67 120.40 125.24 2oqj s VAL 109 Ca 0.55 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2oqj s VAL 109 Cb -0.24 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2oqj s VAL 109 CO 0.26 0.41 -0.10 0.28 0.00 0.00 0.00 175.10 175.95 2oqj s THR 110 N 1.22 0.84 -0.17 3.92 -1.32 -0.61 -0.69 115.64 118.84 2oqj s THR 110 Ca -0.03 -0.38 -0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2oqj s THR 110 Cb -0.14 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2oqj s THR 110 CO -0.04 0.26 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.80 2oqj s VAL 111 N 0.27 2.63 0.21 5.08 1.01 -1.26 -1.38 120.40 126.96 2oqj s VAL 111 Ca -0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 2oqj s VAL 111 Cb -0.10 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 2oqj s VAL 111 CO 0.01 0.51 0.77 -0.94 0.00 0.00 0.00 175.10 175.45 2oqj s SER 112 N 1.00 7.24 0.21 3.32 1.04 0.10 -4.71 113.70 121.91 2oqj s SER 112 Ca -0.02 1.57 -0.09 0.00 0.48 0.00 0.00 55.95 57.89 2oqj s SER 112 Cb -0.15 -2.47 0.17 0.00 0.10 0.00 0.00 66.02 63.67 2oqj s SER 112 CO -0.03 0.11 1.83 -0.65 0.98 0.00 0.00 173.24 175.47 2oqj h PRO 113 N 3.81 1.13 -6.22 4.02 0.11 -1.98 -2.64 132.00 130.24 2oqj h PRO 113 Ca -0.47 -0.14 -0.54 0.00 0.11 0.00 0.00 66.00 64.96 2oqj h PRO 113 Cb 1.20 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2oqj h PRO 113 CO 0.65 0.84 1.25 0.00 -0.21 0.00 0.00 178.00 180.53 2oqj s ALA 114 N -5.82 2.62 -0.96 -0.75 0.00 -1.26 -4.64 121.76 110.95 2oqj s ALA 114 Ca -0.13 -0.29 0.25 0.00 0.00 0.00 0.00 51.96 51.79 2oqj s ALA 114 Cb 0.16 -4.13 0.47 0.00 0.00 0.00 0.00 23.12 19.62 2oqj s ALA 114 CO 0.81 -3.12 1.39 -1.13 0.00 0.00 0.00 175.76 173.71 2oqj n SER 115 N 10.90 0.52 -3.82 0.00 3.41 -1.26 -4.41 113.62 118.97 2oqj n SER 115 Ca 0.19 -0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 2oqj n SER 115 Cb 0.49 0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.60 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 -3.02 0.02 -0.05 6.66 -1.32 -1.26 -4.59 115.64 112.08 2oqj s THR 116 Ca 0.10 -0.21 -0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2oqj s THR 116 Cb 0.17 -0.35 0.03 0.00 -1.51 0.00 0.00 72.50 70.83 2oqj s THR 116 CO 0.71 -0.11 -0.00 -0.75 -2.21 0.00 0.00 174.62 172.25 2oqj s LYS 117 N -0.37 0.49 0.56 7.08 2.20 0.31 -4.97 119.74 125.04 2oqj s LYS 117 Ca -0.05 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 55.45 2oqj s LYS 117 Cb -0.03 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.49 2oqj s LYS 117 CO 0.01 -0.21 1.13 0.20 -0.36 0.00 0.00 175.35 176.12 2oqj s GLY 118 N 1.49 2.60 0.54 5.54 0.00 -1.26 -1.77 107.32 114.46 2oqj s GLY 118 Ca -0.03 0.82 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 2oqj s GLY 118 CO -0.03 1.17 0.89 2.56 0.00 0.00 0.00 173.10 177.69 2oqj s PRO 119 N -3.36 3.49 -0.11 2.90 0.04 -1.26 -4.62 135.00 132.08 2oqj s PRO 119 Ca 0.73 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2oqj s PRO 119 Cb -0.24 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2oqj s PRO 119 CO 0.29 -0.39 -0.02 -1.12 0.04 0.00 0.00 177.00 175.80 2oqj s SER 120 N -4.15 5.03 -0.25 6.66 0.01 0.02 -4.95 113.70 116.07 2oqj s SER 120 Ca 0.51 0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.77 2oqj s SER 120 Cb -0.11 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.58 2oqj s SER 120 CO 0.48 0.29 -0.06 -0.69 0.41 0.00 0.00 173.24 173.67 2oqj s VAL 121 N -0.35 2.91 -0.05 3.43 1.01 -1.26 -0.61 120.40 125.48 2oqj s VAL 121 Ca 0.06 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2oqj s VAL 121 Cb -0.12 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2oqj s VAL 121 CO 0.02 0.20 -0.17 -0.36 0.00 0.00 0.00 175.10 174.80 2oqj s PHE 122 N 1.33 2.63 0.37 5.22 0.08 -0.32 -4.95 117.98 122.36 2oqj s PHE 122 Ca 0.00 -0.28 -0.22 0.00 0.12 0.00 0.00 56.93 56.55 2oqj s PHE 122 Cb -0.17 -1.62 -0.10 0.00 -0.57 0.00 0.00 43.02 40.56 2oqj s PHE 122 CO -0.04 0.09 0.91 -1.25 -0.10 0.00 0.00 175.22 174.83 2oqj s PRO 123 N -0.58 4.32 -0.81 0.24 0.05 -1.26 0.63 135.00 137.60 2oqj s PRO 123 Ca 0.08 1.13 -0.08 0.00 0.05 0.00 0.00 61.00 62.18 2oqj s PRO 123 Cb -0.11 -2.45 0.21 0.00 0.05 0.00 0.00 34.50 32.20 2oqj s PRO 123 CO 0.01 0.11 0.71 -0.51 0.05 0.00 0.00 177.00 177.37 2oqj s LEU 124 N -2.72 6.09 0.19 -3.56 1.43 0.53 -4.83 118.68 115.81 2oqj s LEU 124 Ca 0.56 -2.98 -0.31 0.00 -1.03 0.00 0.00 54.13 50.38 2oqj s LEU 124 Cb -0.13 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2oqj s LEU 124 CO 0.17 -0.43 1.43 0.00 0.23 0.00 0.00 176.35 177.75 2oqj s ALA 125 N -0.27 3.63 0.40 4.21 0.00 -1.26 -2.27 121.76 126.20 2oqj s ALA 125 Ca 0.20 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2oqj s ALA 125 Cb -0.13 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 2oqj s ALA 125 CO -0.07 -0.68 1.23 -1.25 0.00 0.00 0.00 175.76 174.99 2oqj s PRO 126 N 0.33 4.01 -0.45 0.00 0.04 -1.26 -4.97 135.00 132.69 2oqj s PRO 126 Ca 0.62 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 2oqj s PRO 126 Cb -0.40 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.45 2oqj s PRO 126 CO 0.37 -0.40 1.26 0.45 0.04 0.00 0.00 177.00 178.71 2oqj s SER 127 N -0.96 6.50 0.32 6.66 0.15 -1.26 -4.53 113.70 120.58 2oqj s SER 127 Ca 0.57 0.61 0.26 0.00 0.70 0.00 0.00 55.95 58.09 2oqj s SER 127 Cb -0.34 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.45 2oqj s SER 127 CO 0.43 -1.34 1.78 0.77 1.20 0.00 0.00 173.24 176.08 2oqj h SER 128 N 9.88 0.00 -2.90 5.45 4.64 -1.99 -3.37 113.55 125.26 2oqj h SER 128 Ca -0.25 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.48 2oqj h SER 128 Cb 1.08 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 2oqj h SER 128 CO 1.11 0.00 -0.82 -0.75 -0.87 0.00 0.00 176.83 175.51 2oqj s LYS 129 N -3.37 0.91 0.00 4.77 2.36 -1.26 -5.01 119.74 118.15 2oqj s LYS 129 Ca 0.04 -1.72 0.00 0.00 -2.55 0.00 0.00 55.97 51.75 2oqj s LYS 129 Cb 0.09 -1.74 0.00 0.00 -1.05 0.00 0.00 37.83 35.13 2oqj s LYS 129 CO 0.46 -1.22 0.00 -1.13 1.55 0.00 0.00 175.35 175.01 2oqj n SER 130 N 3.67 0.00 -2.32 1.43 3.41 -1.26 -5.00 113.62 113.55 2oqj n SER 130 Ca 0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.49 2oqj n SER 130 Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.00 3.19 -4.39 6.66 5.66 -1.26 -5.01 114.28 119.13 2oqj n THR 133 Ca 0.00 -2.64 0.00 0.00 -3.05 0.00 0.00 64.05 58.36 2oqj n THR 133 Cb 0.00 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 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 0.53 -4.13 -3.56 1.09 2.88 -1.26 -3.97 113.62 105.20 2oqj n SER 134 Ca 0.44 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.58 2oqj n SER 134 Cb 0.55 0.00 -0.00 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 5.00 0.00 0.46 0.00 -1.26 -4.62 105.19 104.77 2oqj n GLY 135 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 2.22 0.47 3.08 -0.02 0.00 -1.25 -4.75 105.19 104.93 2oqj n GLY 136 Ca 0.59 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 2oqj n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oqj s THR 137 N 0.00 1.36 0.17 2.61 2.01 -1.26 -2.38 115.64 118.15 2oqj s THR 137 Ca 0.00 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.48 2oqj s THR 137 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2oqj s THR 137 CO 0.00 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 174.14 2oqj s ALA 138 N 0.49 2.67 -0.01 7.40 0.00 0.21 -4.83 121.76 127.70 2oqj s ALA 138 Ca -0.14 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.37 2oqj s ALA 138 Cb -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2oqj s ALA 138 CO 0.05 0.47 -0.25 0.00 0.00 0.00 0.00 175.76 176.03 2oqj s ALA 139 N -1.56 2.06 0.18 0.00 0.00 -1.26 -0.71 121.76 120.48 2oqj s ALA 139 Ca 0.21 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2oqj s ALA 139 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2oqj s ALA 139 CO 0.11 0.50 0.30 -0.48 0.00 0.00 0.00 175.76 176.20 2oqj s LEU 140 N -0.68 0.86 0.00 0.00 0.05 -0.74 -4.08 118.68 114.09 2oqj s LEU 140 Ca 0.10 -0.95 -0.03 0.00 0.05 0.00 0.00 54.13 53.30 2oqj s LEU 140 Cb -0.10 1.20 0.01 0.00 -2.05 0.00 0.00 46.19 45.26 2oqj s LEU 140 CO -0.00 -0.94 0.13 0.61 -0.55 0.00 0.00 176.35 175.60 2oqj n GLY 141 N -0.25 0.74 3.37 -3.48 0.00 -0.96 -0.94 105.19 103.67 2oqj n GLY 141 Ca -0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.64 3.19 -0.44 0.00 2.96 0.20 -1.36 118.68 121.60 2oqj s LEU 143 Ca 0.13 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 2oqj s LEU 143 Cb -0.10 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.91 2oqj s LEU 143 CO 0.04 -0.11 0.40 -0.69 -1.32 0.00 0.00 176.35 174.67 2oqj s VAL 144 N 1.40 5.16 0.01 1.68 1.01 0.18 -1.17 120.40 128.66 2oqj s VAL 144 Ca 0.02 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2oqj s VAL 144 Cb -0.16 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2oqj s VAL 144 CO -0.03 -0.46 -0.16 -0.54 0.00 0.00 0.00 175.10 173.92 2oqj s LYS 145 N 1.91 2.27 -0.81 2.72 1.02 0.22 -1.81 119.74 125.25 2oqj s LYS 145 Ca 0.08 -0.86 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 2oqj s LYS 145 Cb -0.20 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2oqj s LYS 145 CO 0.11 0.57 0.73 -0.25 -0.92 0.00 0.00 175.35 175.59 2oqj n ASP 146 N 1.80 -7.21 -4.20 2.83 8.00 -0.84 -0.80 116.55 116.13 2oqj n ASP 146 Ca -0.16 -0.30 -0.22 0.00 0.71 0.00 0.00 54.79 54.82 2oqj n ASP 146 Cb 0.52 -4.83 -0.13 0.00 -0.02 0.00 0.00 41.12 36.66 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 -3.08 1.47 -0.12 1.24 1.13 -1.04 -4.25 117.35 112.70 2oqj s TYR 147 Ca 0.09 -0.38 -0.08 0.00 -1.41 0.00 0.00 57.07 55.29 2oqj s TYR 147 Cb -0.02 -0.85 0.04 0.00 -1.10 0.00 0.00 41.96 40.03 2oqj s TYR 147 CO 0.77 0.08 0.30 0.12 -2.51 0.00 0.00 175.55 174.31 2oqj s PHE 148 N -0.93 -0.39 0.00 -3.49 5.36 -0.73 -1.52 117.98 116.27 2oqj s PHE 148 Ca 0.03 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 2oqj s PHE 148 Cb -0.09 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2oqj s PHE 148 CO 0.02 -0.24 0.00 -0.35 -1.46 0.00 0.00 175.22 173.19 2oqj n PRO 149 N 3.82 3.61 -3.31 10.12 -0.04 -1.26 -0.53 135.00 147.40 2oqj n PRO 149 Ca -0.21 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 2oqj n PRO 149 Cb 0.55 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 2.93 3.22 0.57 0.54 2.02 -1.26 -4.82 118.70 121.90 2oqj s GLU 150 Ca 0.00 -0.61 0.09 0.00 0.02 0.00 0.00 54.97 54.46 2oqj s GLU 150 Cb 0.00 -2.69 0.09 0.00 0.10 0.00 0.00 34.13 31.63 2oqj s GLU 150 CO 0.00 -0.01 0.73 -0.35 0.02 0.00 0.00 175.26 175.65 2oqj n PRO 151 N -1.83 0.62 -4.97 0.39 -0.04 -1.26 -4.92 135.00 123.00 2oqj n PRO 151 Ca -0.02 -3.14 -0.27 0.00 -0.04 0.00 0.00 63.50 60.03 2oqj n PRO 151 Cb 0.57 -0.13 -0.16 0.00 -0.04 0.00 0.00 33.50 33.74 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 -2.58 1.59 -0.21 0.52 1.01 -1.26 -4.40 120.40 115.06 2oqj s VAL 152 Ca 0.55 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2oqj s VAL 152 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2oqj s VAL 152 CO 0.35 0.45 0.08 -0.89 0.00 0.00 0.00 175.10 175.09 2oqj s THR 153 N -0.24 4.76 -0.07 3.92 2.01 0.70 -4.97 115.64 121.75 2oqj s THR 153 Ca 0.02 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2oqj s THR 153 Cb -0.10 -3.18 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 2oqj s THR 153 CO 0.01 0.41 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 2oqj s VAL 154 N 0.77 1.78 0.04 3.82 1.01 -1.26 -0.32 120.40 126.25 2oqj s VAL 154 Ca 0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2oqj s VAL 154 Cb -0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2oqj s VAL 154 CO 0.02 0.50 -0.03 -0.94 0.00 0.00 0.00 175.10 174.65 2oqj s SER 156 N 0.12 0.46 -0.07 3.32 1.04 -1.07 -4.96 113.70 112.54 2oqj s SER 156 Ca -0.09 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.57 2oqj s SER 156 Cb -0.14 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2oqj s SER 156 CO 0.05 -0.45 -0.09 0.26 0.98 0.00 0.00 173.24 173.99 2oqj s TRP 157 N -2.81 2.88 -1.37 5.02 0.52 -1.26 0.98 118.94 122.91 2oqj s TRP 157 Ca -0.02 -0.08 -0.00 0.00 0.02 0.00 0.00 56.10 56.01 2oqj s TRP 157 Cb -0.00 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2oqj s TRP 157 CO -0.06 0.24 0.52 0.09 0.02 0.00 0.00 176.95 177.76 2oqj n ASN 162 N 2.42 -0.67 -2.85 2.95 3.02 0.56 -1.50 115.26 119.18 2oqj n ASN 162 Ca -0.18 -0.94 -0.19 0.00 -0.03 0.00 0.00 54.58 53.24 2oqj n ASN 162 Cb 0.53 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 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 -3.01 -4.63 0.00 6.41 7.64 -1.26 -1.92 113.62 116.86 2oqj n SER 163 Ca -0.31 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2oqj n SER 163 Cb 0.68 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 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 -1.11 0.78 0.17 0.23 0.00 -0.56 -4.94 105.19 99.75 2oqj n GLY 164 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 0.21 -1.94 4.61 0.00 -1.20 -3.41 119.26 117.53 2oqj h ALA 165 Ca 0.00 -0.73 -0.67 0.00 0.00 0.00 0.00 54.91 53.51 2oqj h ALA 165 Cb 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.65 2oqj h ALA 165 CO 0.00 0.77 0.23 -1.17 0.00 0.00 0.00 179.25 179.07 2oqj s LEU 166 N -7.82 4.82 -0.04 0.00 2.96 -1.03 -4.84 118.68 112.73 2oqj s LEU 166 Ca -0.07 -0.93 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 2oqj s LEU 166 Cb 0.08 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 2oqj s LEU 166 CO 0.90 -1.08 0.05 0.35 -1.32 0.00 0.00 176.35 175.25 2oqj n THR 167 N 5.75 0.23 -2.76 3.68 -2.24 -1.26 -4.18 114.28 113.50 2oqj n THR 167 Ca -0.05 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 2oqj n THR 167 Cb 0.45 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.28 7.23 0.00 3.42 0.15 -1.26 -3.72 113.70 116.24 2oqj s SER 168 Ca -0.02 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2oqj s SER 168 Cb 0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2oqj s SER 168 CO 0.21 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2oqj n GLY 169 N 3.05 0.68 3.79 9.45 0.00 -1.26 -4.87 105.19 116.03 2oqj n GLY 169 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.65 4.51 -0.14 1.61 1.01 -1.24 -3.27 120.40 120.23 2oqj s VAL 171 Ca 0.00 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 2oqj s VAL 171 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.39 2oqj s VAL 171 CO 0.00 0.52 -0.02 -1.00 0.00 0.00 0.00 175.10 174.60 2oqj s HIS 172 N -1.16 1.24 -0.23 5.22 3.76 -0.73 -5.01 115.29 118.38 2oqj s HIS 172 Ca 0.34 -0.75 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 2oqj s HIS 172 Cb -0.21 -1.10 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 2oqj s HIS 172 CO 0.23 -0.53 0.24 0.99 -0.85 0.00 0.00 174.74 174.82 2oqj s THR 173 N 1.79 5.30 0.27 1.30 2.01 -1.26 -1.13 115.64 123.92 2oqj s THR 173 Ca 0.02 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2oqj s THR 173 Cb -0.15 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 2oqj s THR 173 CO -0.07 0.31 0.71 -0.36 -0.69 0.00 0.00 174.62 174.52 2oqj s PHE 174 N 1.20 3.50 0.31 4.92 0.08 -0.81 -5.03 117.98 122.16 2oqj s PHE 174 Ca 0.11 1.27 -0.28 0.00 0.12 0.00 0.00 56.93 58.15 2oqj s PHE 174 Cb -0.14 -2.55 -0.13 0.00 -0.57 0.00 0.00 43.02 39.63 2oqj s PHE 174 CO 0.06 0.22 1.11 -2.30 -0.10 0.00 0.00 175.22 174.21 2oqj n PRO 175 N 0.15 1.64 -1.78 0.24 -0.02 -1.26 -4.59 135.00 129.38 2oqj n PRO 175 Ca 0.01 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 2oqj n PRO 175 Cb 0.52 -2.03 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.08 2.40 -0.07 3.55 0.00 -1.26 -4.79 121.76 120.50 2oqj s ALA 176 Ca 0.58 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.43 2oqj s ALA 176 Cb -0.65 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.05 2oqj s ALA 176 CO 0.61 -1.40 -0.20 0.08 0.00 0.00 0.00 175.76 174.85 2oqj s VAL 177 N -1.90 1.72 -0.38 0.00 1.01 0.25 -4.92 120.40 116.17 2oqj s VAL 177 Ca 0.74 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 2oqj s VAL 177 Cb -0.27 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2oqj s VAL 177 CO 0.39 0.48 0.80 -0.22 0.00 0.00 0.00 175.10 176.55 2oqj s LEU 178 N 0.21 4.13 0.53 3.92 2.96 -1.26 -1.12 118.68 128.04 2oqj s LEU 178 Ca -0.11 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2oqj s LEU 178 Cb -0.15 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 2oqj s LEU 178 CO 0.05 -0.77 0.87 -1.10 -1.32 0.00 0.00 176.35 174.07 2oqj s GLN 179 N 3.18 3.50 0.03 1.98 -0.21 -0.70 -4.96 119.66 122.49 2oqj s GLN 179 Ca 0.32 0.35 0.09 0.00 0.02 0.00 0.00 55.36 56.14 2oqj s GLN 179 Cb -0.13 -2.28 0.41 0.00 1.00 0.00 0.00 33.01 32.01 2oqj s GLN 179 CO 0.18 -0.36 1.30 -1.13 -2.12 0.00 0.00 175.29 173.16 2oqj n SER 180 N -2.43 0.07 0.06 5.90 3.41 -1.26 -1.01 113.62 118.35 2oqj n SER 180 Ca 0.02 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 2oqj n SER 180 Cb 0.55 -0.53 0.46 0.00 -0.26 0.00 0.00 64.21 64.43 2oqj n SER 180 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2oqj n SER 182 N -1.58 0.37 0.00 4.04 3.41 -1.26 -4.90 113.62 113.69 2oqj n SER 182 Ca 0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2oqj n SER 182 Cb 0.10 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.76 0.98 3.92 5.00 0.00 -0.18 -5.06 105.19 110.61 2oqj n GLY 183 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 4.22 0.47 0.99 2.01 -1.26 -4.90 118.68 120.21 2oqj s LEU 184 Ca 0.00 0.09 -0.02 0.00 0.01 0.00 0.00 54.13 54.21 2oqj s LEU 184 Cb 0.00 -2.79 -0.01 0.00 0.01 0.00 0.00 46.19 43.40 2oqj s LEU 184 CO 0.00 0.04 0.72 -0.31 1.01 0.00 0.00 176.35 177.81 2oqj s TYR 185 N -1.78 3.33 -0.26 0.29 1.51 -0.58 -1.72 117.35 118.14 2oqj s TYR 185 Ca 0.34 0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 2oqj s TYR 185 Cb -0.11 -2.34 0.10 0.00 -0.11 0.00 0.00 41.96 39.51 2oqj s TYR 185 CO 0.27 -0.37 0.60 0.45 -1.11 0.00 0.00 175.55 175.39 2oqj s SER 186 N -4.19 -0.86 0.17 2.29 0.15 -0.28 -1.99 113.70 108.99 2oqj s SER 186 Ca 0.48 1.38 0.03 0.00 0.70 0.00 0.00 55.95 58.54 2oqj s SER 186 Cb -0.10 1.68 -0.05 0.00 -1.71 0.00 0.00 66.02 65.84 2oqj s SER 186 CO 0.40 -0.23 -0.03 -1.48 1.20 0.00 0.00 173.24 173.11 2oqj s LEU 187 N 2.28 2.28 0.09 3.45 0.05 -0.75 -0.58 118.68 125.49 2oqj s LEU 187 Ca -0.07 -1.12 0.08 0.00 0.05 0.00 0.00 54.13 53.07 2oqj s LEU 187 Cb -0.09 -0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 43.85 2oqj s LEU 187 CO -0.18 -0.49 -0.20 -0.94 -0.55 0.00 0.00 176.35 173.99 2oqj s SER 188 N -3.18 2.46 -0.14 1.48 1.04 -1.26 -0.65 113.70 113.45 2oqj s SER 188 Ca 0.21 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2oqj s SER 188 Cb 0.05 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.05 2oqj s SER 188 CO 0.03 0.07 -0.13 -0.55 0.98 0.00 0.00 173.24 173.63 2oqj s SER 189 N -1.75 2.57 0.39 7.02 0.15 -0.47 -1.92 113.70 119.69 2oqj s SER 189 Ca 0.06 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.34 2oqj s SER 189 Cb -0.10 -1.11 -0.06 0.00 -1.71 0.00 0.00 66.02 63.04 2oqj s SER 189 CO 0.04 -0.06 0.11 0.68 1.20 0.00 0.00 173.24 175.21 2oqj s VAL 190 N 1.45 2.40 -0.21 4.45 -7.23 -0.28 -1.05 120.40 119.92 2oqj s VAL 190 Ca 0.03 -1.81 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 2oqj s VAL 190 Cb -0.13 -2.95 0.06 0.00 0.56 0.00 0.00 36.38 33.92 2oqj s VAL 190 CO -0.09 -0.06 0.57 0.54 -0.31 0.00 0.00 175.10 175.75 2oqj s VAL 191 N -2.58 -0.00 -0.17 1.32 0.11 -0.12 -1.77 120.40 117.19 2oqj s VAL 191 Ca 0.38 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.36 2oqj s VAL 191 Cb 0.03 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2oqj s VAL 191 CO 0.21 0.00 0.10 0.42 -3.33 0.00 0.00 175.10 172.50 2oqj s THR 192 N 0.33 5.15 0.06 5.04 -4.23 -1.20 -1.79 115.64 118.99 2oqj s THR 192 Ca -0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2oqj s THR 192 Cb -0.04 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 2oqj s THR 192 CO 0.00 0.50 -0.05 0.68 -0.54 0.00 0.00 174.62 175.22 2oqj s VAL 193 N -0.08 0.38 0.26 2.29 -7.23 0.11 -4.83 120.40 111.31 2oqj s VAL 193 Ca 0.09 -1.59 -0.31 0.00 -1.81 0.00 0.00 61.98 58.36 2oqj s VAL 193 Cb -0.12 -1.22 -0.13 0.00 0.56 0.00 0.00 36.38 35.48 2oqj s VAL 193 CO 0.00 -0.79 1.49 -0.81 -0.31 0.00 0.00 175.10 174.68 2oqj n PRO 194 N 0.52 2.32 0.09 4.82 -0.04 -1.26 -0.62 135.00 140.83 2oqj n PRO 194 Ca -0.16 0.83 0.04 0.00 -0.04 0.00 0.00 63.50 64.17 2oqj n PRO 194 Cb 0.59 -2.54 0.47 0.00 -0.04 0.00 0.00 33.50 31.98 2oqj n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2oqj h SER 195 N 4.46 0.31 0.57 3.54 0.02 -1.77 -2.41 113.55 118.27 2oqj h SER 195 Ca -0.46 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2oqj h SER 195 Cb 1.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2oqj h SER 195 CO 0.77 0.27 -0.11 0.77 -1.14 0.00 0.00 176.83 177.40 2oqj h SER 196 N 0.35 0.00 1.37 3.07 4.64 -1.86 -2.77 113.55 118.34 2oqj h SER 196 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2oqj h SER 196 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2oqj h SER 196 CO -0.01 0.11 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.44 2oqj n SER 197 N -3.43 0.74 -0.16 4.97 3.41 -0.91 -4.04 113.62 114.22 2oqj n SER 197 Ca -0.01 0.51 0.04 0.00 -0.26 0.00 0.00 58.87 59.15 2oqj n SER 197 Cb 0.27 -0.66 0.33 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.69 -1.51 1.04 3.38 -1.61 0.12 115.31 117.42 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 0.72 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2oqj h LEU 198 CO 0.00 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2oqj n GLY 199 N -1.45 1.19 2.01 0.83 0.00 -1.26 -4.40 105.19 102.12 2oqj n GLY 199 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.29 0.00 -2.53 2.61 -2.24 -1.06 -5.09 114.28 106.26 2oqj n THR 200 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 2oqj n THR 200 Cb 0.43 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 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 4.22 0.10 -0.78 -0.44 0.39 -5.02 119.66 116.12 2oqj s GLN 203 Ca 0.00 1.48 -0.17 0.00 -2.50 0.00 0.00 55.36 54.18 2oqj s GLN 203 Cb 0.00 -3.72 -0.07 0.00 -1.64 0.00 0.00 33.01 27.58 2oqj s GLN 203 CO 0.00 -0.71 0.55 0.95 0.50 0.00 0.00 175.29 176.58 2oqj s THR 205 N 3.44 4.81 -0.17 -0.34 -4.23 -1.26 -4.64 115.64 113.24 2oqj s THR 205 Ca 0.50 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 62.05 2oqj s THR 205 Cb -0.18 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.86 2oqj s THR 205 CO 0.12 0.43 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.12 2oqj s TYR 206 N -1.25 2.77 -0.03 3.99 2.02 -1.26 -5.01 117.35 118.58 2oqj s TYR 206 Ca 0.32 -1.57 0.07 0.00 -0.37 0.00 0.00 57.07 55.52 2oqj s TYR 206 Cb -0.17 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2oqj s TYR 206 CO 0.18 -0.76 -0.24 0.42 -1.57 0.00 0.00 175.55 173.58 2oqj s ILE 207 N 1.21 1.88 -0.09 2.71 1.01 -1.26 -1.34 121.20 125.32 2oqj s ILE 207 Ca 0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2oqj s ILE 207 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2oqj s ILE 207 CO -0.11 0.53 0.01 0.00 0.00 0.00 0.00 174.94 175.37 2oqj s ASN 209 N -0.77 5.96 -0.36 0.00 -0.87 0.28 -2.73 114.94 116.45 2oqj s ASN 209 Ca 0.12 -1.99 -0.20 0.00 -1.57 0.00 0.00 52.86 49.22 2oqj s ASN 209 Cb -0.12 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 2oqj s ASN 209 CO 0.02 -0.73 0.59 -0.69 -2.57 0.00 0.00 177.10 173.72 2oqj s VAL 210 N 1.26 4.93 -0.13 1.60 1.01 -0.13 -2.59 120.40 126.35 2oqj s VAL 210 Ca 0.07 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2oqj s VAL 210 Cb -0.26 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2oqj s VAL 210 CO -0.00 -0.31 -0.16 0.21 0.00 0.00 0.00 175.10 174.84 2oqj s ASN 211 N 1.80 3.71 -0.43 3.32 2.47 0.57 -1.10 114.94 125.28 2oqj s ASN 211 Ca 0.22 -0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.09 2oqj s ASN 211 Cb -0.15 -1.56 0.13 0.00 -1.45 0.00 0.00 41.25 38.22 2oqj s ASN 211 CO 0.15 0.13 0.21 -2.28 -3.72 0.00 0.00 177.10 171.59 2oqj s HIS 212 N 0.52 2.25 0.25 0.43 5.65 -0.09 -0.22 115.29 124.08 2oqj s HIS 212 Ca -0.10 -2.49 -0.03 0.00 0.25 0.00 0.00 55.06 52.69 2oqj s HIS 212 Cb -0.16 -2.08 0.42 0.00 -1.18 0.00 0.00 32.58 29.58 2oqj s HIS 212 CO 0.04 -0.80 1.82 0.87 -0.65 0.00 0.00 174.74 176.02 2oqj h LYS 213 N 6.94 0.83 -0.71 2.88 1.79 -1.83 -2.03 116.57 124.44 2oqj h LYS 213 Ca -0.04 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.51 2oqj h LYS 213 Cb 0.94 -0.19 -0.09 0.00 -1.58 0.00 0.00 32.23 31.31 2oqj h LYS 213 CO 0.51 0.55 0.27 -1.35 -1.08 0.00 0.00 179.45 178.35 2oqj h PRO 214 N 0.86 0.41 -0.03 3.15 0.11 -1.91 -2.69 132.00 131.89 2oqj h PRO 214 Ca 0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2oqj h PRO 214 Cb 0.36 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2oqj h PRO 214 CO -0.24 0.27 -0.02 -1.13 -0.21 0.00 0.00 178.00 176.67 2oqj n SER 215 N -5.02 2.80 -3.59 -2.05 3.41 -1.09 -4.98 113.62 103.10 2oqj n SER 215 Ca 0.13 -1.93 -0.20 0.00 -0.26 0.00 0.00 58.87 56.61 2oqj n SER 215 Cb 0.38 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2oqj n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2oqj n ASN 216 N 1.17 -1.98 -4.40 4.04 5.15 -0.80 -4.91 115.26 113.54 2oqj n ASN 216 Ca 0.14 -0.72 -0.34 0.00 -0.60 0.00 0.00 54.58 53.07 2oqj n ASN 216 Cb 0.57 -4.55 -0.13 0.00 -0.53 0.00 0.00 39.78 35.13 2oqj n ASN 216 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2oqj s THR 217 N -3.50 3.45 -0.19 -0.44 2.01 -0.98 -5.00 115.64 110.98 2oqj s THR 217 Ca 0.07 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 2oqj s THR 217 Cb -0.03 -2.51 0.05 0.00 0.01 0.00 0.00 72.50 70.02 2oqj s THR 217 CO 0.77 0.48 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.60 2oqj s LYS 218 N 0.70 1.42 -0.10 4.92 1.02 -1.26 -0.91 119.74 125.53 2oqj s LYS 218 Ca -0.03 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.34 2oqj s LYS 218 Cb -0.15 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2oqj s LYS 218 CO 0.02 -0.50 -0.21 0.08 -0.92 0.00 0.00 175.35 173.82 2oqj s VAL 219 N 1.58 1.84 -0.07 3.17 1.01 -0.26 -5.00 120.40 122.67 2oqj s VAL 219 Ca -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2oqj s VAL 219 Cb -0.17 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2oqj s VAL 219 CO -0.07 0.51 0.05 -1.81 0.00 0.00 0.00 175.10 173.78 2oqj s ASP 220 N 0.53 5.60 -0.07 3.32 1.01 -1.26 -0.95 116.67 124.85 2oqj s ASP 220 Ca -0.15 0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.31 2oqj s ASP 220 Cb -0.17 -1.64 0.03 0.00 1.01 0.00 0.00 42.92 42.15 2oqj s ASP 220 CO 0.05 0.36 -0.00 -0.75 0.21 0.00 0.00 175.17 175.04 2oqj s LYS 221 N -1.12 0.62 -0.06 8.23 2.47 -1.10 -4.98 119.74 123.80 2oqj s LYS 221 Ca 0.16 0.08 -0.30 0.00 -1.56 0.00 0.00 55.97 54.35 2oqj s LYS 221 Cb -0.12 -0.93 -0.04 0.00 -1.46 0.00 0.00 37.83 35.28 2oqj s LYS 221 CO 0.05 -0.27 1.26 0.21 0.16 0.00 0.00 175.35 176.76 2oqj s LYS 222 N 1.81 4.32 -0.26 4.03 2.47 -1.26 -2.80 119.74 128.04 2oqj s LYS 222 Ca 0.02 1.74 -0.02 0.00 -1.56 0.00 0.00 55.97 56.16 2oqj s LYS 222 Cb -0.13 -3.59 0.03 0.00 -1.46 0.00 0.00 37.83 32.68 2oqj s LYS 222 CO -0.04 -0.51 -0.04 0.08 0.16 0.00 0.00 175.35 174.99 2oqj s VAL 225 N 2.45 2.97 0.04 4.02 1.01 -0.45 -4.90 120.40 125.53 2oqj s VAL 225 Ca 0.58 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2oqj s VAL 225 Cb -0.26 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2oqj s VAL 225 CO 0.22 0.14 0.00 -1.61 0.00 0.00 0.00 175.10 173.85 2oqj s GLU 226 N 1.32 0.49 0.58 2.72 2.02 -1.26 -4.19 118.70 120.38 2oqj s GLU 226 Ca -0.01 -0.86 -0.19 0.00 0.02 0.00 0.00 54.97 53.93 2oqj s GLU 226 Cb -0.17 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 2oqj s GLU 226 CO -0.03 -0.10 1.20 -1.25 0.02 0.00 0.00 175.26 175.10 2oqj s PRO 227 N -2.62 3.08 0.00 0.39 0.04 -1.26 -4.66 135.00 129.97 2oqj s PRO 227 Ca -0.05 1.81 0.31 0.00 0.04 0.00 0.00 61.00 63.10 2oqj s PRO 227 Cb -0.01 -1.98 1.83 0.00 0.04 0.00 0.00 34.50 34.38 2oqj s PRO 227 CO -0.05 -1.11 2.16 1.63 0.04 0.00 0.00 177.00 179.67