#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7h s VAL 8 N 0.00 4.35 -1.02 1.39 1.01 0.00 -3.78 120.40 122.36 2a7h s VAL 8 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2a7h s VAL 8 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2a7h s VAL 8 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2a7h n GLY 9 N 3.71 0.12 0.00 4.51 0.00 -1.24 -1.14 105.19 111.14 2a7h n GLY 9 Ca -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2a7h n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a7h n GLY 10 N -1.10 1.83 3.26 -0.02 0.00 -1.26 -4.85 105.19 103.03 2a7h n GLY 10 Ca -0.13 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 2a7h n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a7h s TYR 11 N 2.75 -0.10 -0.04 1.61 -0.85 0.68 -4.90 117.35 116.50 2a7h s TYR 11 Ca 0.00 -0.05 -0.30 0.00 -0.52 0.00 0.00 57.07 56.20 2a7h s TYR 11 Cb 0.00 0.10 -0.07 0.00 0.38 0.00 0.00 41.96 42.37 2a7h s TYR 11 CO 0.00 -0.52 1.97 0.99 -1.52 0.00 0.00 175.55 176.47 2a7h s THR 12 N -2.69 3.11 0.19 -3.49 2.01 -1.26 0.10 115.64 113.61 2a7h s THR 12 Ca -0.04 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 2a7h s THR 12 Cb -0.00 -3.10 0.10 0.00 0.01 0.00 0.00 72.50 69.51 2a7h s THR 12 CO -0.04 -0.03 1.79 0.00 -0.69 0.00 0.00 174.62 175.65 2a7h n GLY 14 N -1.26 3.01 3.63 0.00 0.00 -1.26 -4.82 105.19 104.48 2a7h n GLY 14 Ca 0.06 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 2a7h n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7h n ALA 15 N 0.60 1.36 -1.53 4.61 0.00 -1.26 -2.27 120.51 122.01 2a7h n ALA 15 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 2a7h n ALA 15 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 2a7h n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2a7h n ASN 16 N 8.71 -3.64 0.08 0.00 5.03 -1.26 -4.87 115.26 119.32 2a7h n ASN 16 Ca 0.26 0.13 0.13 0.00 0.87 0.00 0.00 54.58 55.97 2a7h n ASN 16 Cb 0.36 -2.20 0.29 0.00 -1.02 0.00 0.00 39.78 37.21 2a7h n ASN 16 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2a7h n THR 17 N -3.17 0.47 -3.64 3.41 -2.24 -0.96 -3.97 114.28 104.18 2a7h n THR 17 Ca -0.09 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 2a7h n THR 17 Cb 0.37 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 2a7h n THR 17 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2a7h n VAL 18 N -2.17 2.06 0.73 2.28 0.31 -1.26 -4.97 118.33 115.31 2a7h n VAL 18 Ca 0.04 -5.07 0.10 0.00 -0.01 0.00 0.00 64.34 59.40 2a7h n VAL 18 Cb 0.43 -2.14 0.45 0.00 -0.91 0.00 0.00 33.84 31.67 2a7h n VAL 18 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2a7h n PRO 19 N 1.35 0.02 0.04 5.55 -0.04 -1.25 -1.44 135.00 139.22 2a7h n PRO 19 Ca 0.25 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2a7h n PRO 19 Cb 0.38 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.73 2a7h n PRO 19 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2a7h n TYR 20 N -1.49 0.37 -2.27 0.54 0.18 -0.98 -1.98 117.16 111.52 2a7h n TYR 20 Ca 0.05 0.11 -0.42 0.00 1.88 0.00 0.00 57.90 59.52 2a7h n TYR 20 Cb 0.24 -0.60 -0.03 0.00 -0.38 0.00 0.00 39.34 38.57 2a7h n TYR 20 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2a7h s GLN 21 N -3.06 4.38 0.02 -3.48 2.00 -0.52 -0.22 119.66 118.78 2a7h s GLN 21 Ca 0.11 1.96 0.06 0.00 -2.00 0.00 0.00 55.36 55.49 2a7h s GLN 21 Cb 0.16 -3.27 -0.02 0.00 0.80 0.00 0.00 33.01 30.68 2a7h s GLN 21 CO 0.63 -0.32 -0.18 0.08 -0.50 0.00 0.00 175.29 175.00 2a7h s VAL 22 N 0.80 1.40 -0.18 1.34 1.01 -0.78 -4.43 120.40 119.57 2a7h s VAL 22 Ca 0.60 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2a7h s VAL 22 Cb -0.34 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2a7h s VAL 22 CO 0.32 0.24 0.12 -0.55 0.00 0.00 0.00 175.10 175.23 2a7h s SER 23 N -0.83 6.17 -0.18 3.32 0.15 -0.78 -2.06 113.70 119.48 2a7h s SER 23 Ca 0.06 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.85 2a7h s SER 23 Cb -0.08 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.13 2a7h s SER 23 CO 0.01 0.24 0.23 -0.76 1.20 0.00 0.00 173.24 174.15 2a7h s LEU 24 N -0.00 4.21 -0.09 3.45 1.43 0.13 -0.49 118.68 127.32 2a7h s LEU 24 Ca 0.09 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2a7h s LEU 24 Cb -0.11 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2a7h s LEU 24 CO -0.00 0.11 -0.17 0.21 0.23 0.00 0.00 176.35 176.73 2a7h s ASN 25 N 0.52 2.43 -0.47 2.29 3.84 0.45 -1.43 114.94 122.57 2a7h s ASN 25 Ca 0.13 -0.43 0.09 0.00 0.21 0.00 0.00 52.86 52.86 2a7h s ASN 25 Cb -0.12 -1.10 0.35 0.00 -0.55 0.00 0.00 41.25 39.83 2a7h s ASN 25 CO 0.02 0.06 0.86 -1.54 -2.79 0.00 0.00 177.10 173.71 2a7h n SER 26 N 3.91 2.69 0.00 -4.21 3.41 -1.26 -1.44 113.62 116.71 2a7h n SER 26 Ca -0.20 -3.34 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 2a7h n SER 26 Cb 0.52 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2a7h n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a7h n GLY 27 N -0.01 2.13 3.58 5.00 0.00 -1.26 -5.01 105.19 109.62 2a7h n GLY 27 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 2a7h n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a7h s TYR 28 N -2.50 -0.23 0.16 1.61 1.13 -1.26 -5.14 117.35 111.12 2a7h s TYR 28 Ca 0.00 0.26 -0.31 0.00 -1.41 0.00 0.00 57.07 55.61 2a7h s TYR 28 Cb 0.00 0.50 -0.10 0.00 -1.10 0.00 0.00 41.96 41.25 2a7h s TYR 28 CO 0.00 -0.29 1.64 -1.58 -2.51 0.00 0.00 175.55 172.82 2a7h s HIS 29 N -1.97 2.85 0.00 -3.49 5.65 -1.26 -4.30 115.29 112.77 2a7h s HIS 29 Ca 0.05 0.45 0.00 0.00 0.25 0.00 0.00 55.06 55.81 2a7h s HIS 29 Cb -0.01 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 2a7h s HIS 29 CO -0.04 -3.85 0.00 1.97 -0.65 0.00 0.00 174.74 172.17 2a7h n PHE 30 N 4.36 0.00 -3.48 3.88 1.16 -0.51 -4.96 117.46 117.91 2a7h n PHE 30 Ca 0.15 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.62 2a7h n PHE 30 Cb 0.38 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.22 2a7h n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a7h s GLY 32 N -2.34 1.76 0.08 0.00 0.00 0.60 0.18 107.32 107.61 2a7h s GLY 32 Ca 0.01 -1.64 -0.27 0.00 0.00 0.00 0.00 44.72 42.82 2a7h s GLY 32 CO -0.08 -1.09 1.08 -0.32 0.00 0.00 0.00 173.10 172.69 2a7h s GLY 33 N -4.71 -0.31 -0.05 0.20 0.00 -0.87 -3.35 107.32 98.23 2a7h s GLY 33 Ca 0.66 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2a7h s GLY 33 CO 0.44 0.07 -0.07 -0.56 0.00 0.00 0.00 173.10 172.98 2a7h s SER 34 N -2.92 1.23 0.02 1.64 0.01 -0.05 -1.86 113.70 111.78 2a7h s SER 34 Ca 0.13 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 2a7h s SER 34 Cb 0.01 -0.57 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2a7h s SER 34 CO -0.00 -0.03 1.11 -0.22 0.41 0.00 0.00 173.24 174.50 2a7h s LEU 35 N 0.87 4.36 -0.01 2.44 2.96 0.70 -0.91 118.68 129.09 2a7h s LEU 35 Ca -0.12 1.85 0.05 0.00 -0.22 0.00 0.00 54.13 55.70 2a7h s LEU 35 Cb -0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 2a7h s LEU 35 CO 0.01 -0.40 0.13 2.30 -1.32 0.00 0.00 176.35 177.07 2a7h n ILE 36 N 3.98 0.00 -3.78 6.68 -5.35 -0.29 -0.45 119.36 120.15 2a7h n ILE 36 Ca 0.08 -0.15 -0.09 0.00 -0.27 0.00 0.00 62.75 62.32 2a7h n ILE 36 Cb 0.48 0.44 0.02 0.00 -1.74 0.00 0.00 39.64 38.84 2a7h n ILE 36 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2a7h n ASN 37 N -1.63 -2.00 0.34 7.28 0.23 -1.13 -4.57 115.26 113.78 2a7h n ASN 37 Ca -0.01 -2.53 0.19 0.00 -0.53 0.00 0.00 54.58 51.70 2a7h n ASN 37 Cb 0.13 3.37 1.02 0.00 -2.08 0.00 0.00 39.78 42.23 2a7h n ASN 37 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a7h h SER 38 N 1.84 0.00 -0.00 0.53 4.64 -1.96 -2.90 113.55 115.69 2a7h h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2a7h h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2a7h h SER 38 CO 0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.35 2a7h n GLN 39 N -2.97 -0.35 -3.87 4.77 6.02 -1.26 0.70 117.38 120.41 2a7h n GLN 39 Ca -0.02 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 56.32 2a7h n GLN 39 Cb 0.22 -0.98 -0.15 0.00 1.02 0.00 0.00 30.24 30.35 2a7h n GLN 39 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2a7h s TRP 40 N -0.13 0.13 -0.05 1.08 0.52 -1.10 0.23 118.94 119.63 2a7h s TRP 40 Ca 0.01 0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.23 2a7h s TRP 40 Cb 0.01 -0.21 -0.01 0.00 -1.15 0.00 0.00 33.47 32.11 2a7h s TRP 40 CO 0.01 -0.06 -0.25 0.08 0.02 0.00 0.00 176.95 176.75 2a7h s VAL 41 N 0.61 2.08 -0.09 4.03 1.01 -0.22 -1.14 120.40 126.67 2a7h s VAL 41 Ca -0.05 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 2a7h s VAL 41 Cb -0.08 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2a7h s VAL 41 CO -0.01 0.57 0.27 -0.69 0.00 0.00 0.00 175.10 175.23 2a7h s VAL 42 N -0.26 5.30 0.00 2.92 1.01 -0.09 -0.13 120.40 129.15 2a7h s VAL 42 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2a7h s VAL 42 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a7h s VAL 42 CO 0.03 0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 2a7h n SER 43 N 2.38 0.00 -4.82 3.32 2.88 -0.02 -0.87 113.62 116.49 2a7h n SER 43 Ca -0.16 -0.86 -0.38 0.00 -1.33 0.00 0.00 58.87 56.14 2a7h n SER 43 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2a7h n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a7h s ALA 44 N -1.67 3.65 0.54 -1.46 0.00 -1.26 -0.98 121.76 120.58 2a7h s ALA 44 Ca 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 51.96 51.99 2a7h s ALA 44 Cb 0.00 -2.46 1.41 0.00 0.00 0.00 0.00 23.12 22.07 2a7h s ALA 44 CO 0.00 0.40 2.15 0.00 0.00 0.00 0.00 175.76 178.31 2a7h h ALA 45 N 4.96 1.96 0.00 0.00 0.00 -1.70 -0.88 119.26 123.61 2a7h h ALA 45 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a7h h ALA 45 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2a7h h ALA 45 CO 0.64 -0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.40 2a7h n HIS 46 N -4.35 0.00 1.48 0.00 1.44 -1.26 -1.20 115.22 111.32 2a7h n HIS 46 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 2a7h n HIS 46 Cb 0.16 -0.36 0.62 0.00 0.12 0.00 0.00 29.99 30.54 2a7h n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2a7h n TYR 48 N -0.77 2.81 -3.62 0.00 4.19 -0.34 -4.98 117.16 114.44 2a7h n TYR 48 Ca 0.16 0.31 -0.15 0.00 3.31 0.00 0.00 57.90 61.53 2a7h n TYR 48 Cb 0.27 -2.57 -0.07 0.00 0.49 0.00 0.00 39.34 37.46 2a7h n TYR 48 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 2a7h s LYS 49 N -0.84 0.84 0.44 2.98 2.20 -1.26 -5.13 119.74 118.98 2a7h s LYS 49 Ca 0.62 0.45 -0.24 0.00 -0.36 0.00 0.00 55.97 56.44 2a7h s LYS 49 Cb -0.51 0.40 -0.08 0.00 -1.51 0.00 0.00 37.83 36.14 2a7h s LYS 49 CO 0.52 -0.20 1.22 0.45 -0.36 0.00 0.00 175.35 176.98 2a7h s SER 50 N -0.54 6.17 -0.59 1.43 0.15 -1.26 -4.33 113.70 114.73 2a7h s SER 50 Ca -0.07 2.45 -0.03 0.00 0.70 0.00 0.00 55.95 59.00 2a7h s SER 50 Cb -0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2a7h s SER 50 CO 0.05 -0.93 0.51 0.61 1.20 0.00 0.00 173.24 174.68 2a7h n GLY 51 N 0.57 0.23 3.74 9.45 0.00 -1.26 -5.00 105.19 112.92 2a7h n GLY 51 Ca 0.06 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2a7h n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a7h s ILE 52 N -3.15 3.87 -0.21 -0.61 1.01 -1.26 -4.74 121.20 116.11 2a7h s ILE 52 Ca 0.19 1.63 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 2a7h s ILE 52 Cb -0.08 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2a7h s ILE 52 CO 0.33 0.29 0.07 -1.58 0.00 0.00 0.00 174.94 174.05 2a7h s GLN 53 N -0.46 3.85 -0.01 2.79 0.74 -0.52 -0.82 119.66 125.23 2a7h s GLN 53 Ca 0.49 -0.39 -0.17 0.00 0.05 0.00 0.00 55.36 55.33 2a7h s GLN 53 Cb -0.29 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.49 2a7h s GLN 53 CO 0.35 0.08 0.48 0.08 -0.55 0.00 0.00 175.29 175.74 2a7h s VAL 54 N 0.89 4.97 -0.20 1.34 1.01 0.17 -0.41 120.40 128.17 2a7h s VAL 54 Ca 0.04 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2a7h s VAL 54 Cb -0.14 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2a7h s VAL 54 CO 0.03 0.50 -0.17 -0.13 0.00 0.00 0.00 175.10 175.33 2a7h s ARG 55 N -0.65 2.89 0.24 2.72 0.52 0.36 -0.82 118.95 124.21 2a7h s ARG 55 Ca 0.26 -0.90 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 2a7h s ARG 55 Cb -0.17 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2a7h s ARG 55 CO 0.15 -0.28 0.05 -0.51 0.02 0.00 0.00 175.30 174.73 2a7h s LEU 56 N 1.28 3.39 -0.55 2.53 1.02 0.12 -1.87 118.68 124.59 2a7h s LEU 56 Ca 0.03 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.70 2a7h s LEU 56 Cb -0.14 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.12 2a7h s LEU 56 CO -0.11 0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.89 2a7h n GLY 57 N -0.77 0.77 3.77 -3.19 0.00 -1.26 -0.68 105.19 103.83 2a7h n GLY 57 Ca -0.08 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 2a7h n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a7h s GLU 58 N -2.07 4.69 0.00 1.61 0.41 -1.26 -3.97 118.70 118.10 2a7h s GLU 58 Ca 0.00 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.91 2a7h s GLU 58 Cb 0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2a7h s GLU 58 CO 0.00 0.44 0.00 -3.47 -0.49 0.00 0.00 175.26 171.74 2a7h n ASP 59 N 1.14 0.00 -4.62 -0.19 2.03 -1.26 -4.47 116.55 109.19 2a7h n ASP 59 Ca -0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 2a7h n ASP 59 Cb 0.49 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 2a7h n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2a7h s ASN 60 N 0.76 6.03 0.00 1.67 3.84 -1.25 -3.46 114.94 122.52 2a7h s ASN 60 Ca 0.00 1.71 0.17 0.00 0.21 0.00 0.00 52.86 54.95 2a7h s ASN 60 Cb 0.00 -2.52 0.79 0.00 -0.55 0.00 0.00 41.25 38.96 2a7h s ASN 60 CO 0.00 -1.53 1.55 2.30 -2.79 0.00 0.00 177.10 176.63 2a7h n ILE 61 N 6.93 0.70 0.97 -5.21 -5.35 0.76 -2.89 119.36 115.27 2a7h n ILE 61 Ca 0.23 0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.99 2a7h n ILE 61 Cb 0.45 -0.88 0.04 0.00 -1.74 0.00 0.00 39.64 37.51 2a7h n ILE 61 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2a7h n ASN 62 N -1.43 2.38 -3.82 7.28 3.02 -1.26 -4.94 115.26 116.49 2a7h n ASN 62 Ca 0.06 -1.69 -0.18 0.00 -0.03 0.00 0.00 54.58 52.74 2a7h n ASN 62 Cb 0.18 0.28 -0.16 0.00 -0.61 0.00 0.00 39.78 39.47 2a7h n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a7h s VAL 63 N -2.22 0.22 -0.39 2.41 1.01 -1.14 -5.10 120.40 115.19 2a7h s VAL 63 Ca 0.22 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2a7h s VAL 63 Cb 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.25 2a7h s VAL 63 CO 0.45 0.16 1.39 -0.69 0.00 0.00 0.00 175.10 176.41 2a7h s VAL 64 N 1.13 3.94 -0.80 2.92 1.01 -1.26 -4.69 120.40 122.66 2a7h s VAL 64 Ca -0.08 0.99 0.16 0.00 0.00 0.00 0.00 61.98 63.04 2a7h s VAL 64 Cb -0.13 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.90 2a7h s VAL 64 CO -0.02 -0.69 0.69 -0.62 0.00 0.00 0.00 175.10 174.46 2a7h n GLU 65 N 7.92 1.74 0.00 2.72 1.02 -1.26 -5.00 120.64 127.78 2a7h n GLU 65 Ca 0.16 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2a7h n GLU 65 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2a7h n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a7h n GLY 66 N 1.36 1.03 0.47 0.62 0.00 -1.26 -4.98 105.19 102.44 2a7h n GLY 66 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 2a7h n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a7h n ASN 67 N 0.00 2.78 -4.78 1.61 3.02 -1.26 -5.03 115.26 111.60 2a7h n ASN 67 Ca 0.00 -2.21 -0.37 0.00 -0.03 0.00 0.00 54.58 51.97 2a7h n ASN 67 Cb 0.00 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 2a7h n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2a7h s GLU 68 N -1.38 4.09 -0.09 3.52 8.01 -1.25 -4.34 118.70 127.25 2a7h s GLU 68 Ca 0.20 1.57 0.02 0.00 0.01 0.00 0.00 54.97 56.78 2a7h s GLU 68 Cb 0.13 -2.52 0.01 0.00 -4.31 0.00 0.00 34.13 27.44 2a7h s GLU 68 CO 0.10 -0.22 -0.16 -0.65 0.01 0.00 0.00 175.26 174.34 2a7h s GLN 69 N -2.53 2.18 -0.20 1.61 -0.21 0.15 -4.97 119.66 115.69 2a7h s GLN 69 Ca 0.59 -0.57 -0.04 0.00 0.02 0.00 0.00 55.36 55.36 2a7h s GLN 69 Cb -0.23 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 2a7h s GLN 69 CO 0.29 0.03 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.40 2a7h s PHE 70 N 0.70 2.98 -0.05 0.91 2.99 -1.26 0.16 117.98 124.41 2a7h s PHE 70 Ca -0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 56.93 56.15 2a7h s PHE 70 Cb -0.16 -2.06 0.03 0.00 0.00 0.00 0.00 43.02 40.83 2a7h s PHE 70 CO 0.03 -0.34 0.01 0.42 -0.00 0.00 0.00 175.22 175.34 2a7h s ILE 71 N 1.07 0.20 0.50 0.64 1.01 0.00 -4.97 121.20 119.65 2a7h s ILE 71 Ca 0.01 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 2a7h s ILE 71 Cb -0.15 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.91 2a7h s ILE 71 CO 0.00 0.20 1.20 -0.44 0.00 0.00 0.00 174.94 175.90 2a7h s SER 72 N 1.60 5.85 0.18 3.58 0.01 -1.26 0.46 113.70 124.11 2a7h s SER 72 Ca -0.02 2.38 -0.30 0.00 1.31 0.00 0.00 55.95 59.33 2a7h s SER 72 Cb -0.13 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 2a7h s SER 72 CO -0.03 -1.15 1.12 0.00 0.41 0.00 0.00 173.24 173.60 2a7h s ALA 73 N -1.53 3.38 -0.15 1.44 0.00 -0.00 0.29 121.76 125.18 2a7h s ALA 73 Ca 0.68 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.70 2a7h s ALA 73 Cb -0.30 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 2a7h s ALA 73 CO 0.36 -0.25 0.80 -1.13 0.00 0.00 0.00 175.76 175.54 2a7h n SER 74 N 2.44 0.51 -3.63 0.00 3.41 0.85 -4.69 113.62 112.52 2a7h n SER 74 Ca 0.03 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 2a7h n SER 74 Cb 0.46 1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 65.39 2a7h n SER 74 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2a7h s LYS 75 N -3.40 0.57 -0.03 4.33 2.20 -1.21 -5.00 119.74 117.21 2a7h s LYS 75 Ca -0.04 0.59 0.06 0.00 -0.36 0.00 0.00 55.97 56.23 2a7h s LYS 75 Cb 0.11 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 2a7h s LYS 75 CO 0.84 -0.09 -0.22 -1.12 -0.36 0.00 0.00 175.35 174.40 2a7h s SER 76 N 0.06 2.63 -0.23 1.43 0.01 -1.26 -0.49 113.70 115.84 2a7h s SER 76 Ca 0.02 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 2a7h s SER 76 Cb -0.04 -0.42 0.07 0.00 0.21 0.00 0.00 66.02 65.83 2a7h s SER 76 CO -0.04 0.25 0.00 -0.63 0.41 0.00 0.00 173.24 173.23 2a7h s ILE 77 N -0.39 1.09 0.27 1.44 1.01 -0.06 -4.98 121.20 119.58 2a7h s ILE 77 Ca 0.05 -1.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 2a7h s ILE 77 Cb -0.10 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.77 2a7h s ILE 77 CO 0.00 -0.23 0.91 -0.69 0.00 0.00 0.00 174.94 174.93 2a7h s VAL 78 N 1.59 4.20 0.18 2.92 1.01 -1.26 -0.59 120.40 128.44 2a7h s VAL 78 Ca -0.02 1.87 -0.32 0.00 0.00 0.00 0.00 61.98 63.51 2a7h s VAL 78 Cb -0.18 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 2a7h s VAL 78 CO -0.09 0.32 1.17 1.57 0.00 0.00 0.00 175.10 178.07 2a7h n HIS 79 N 1.03 1.34 -0.05 5.22 -0.00 -0.53 -4.85 115.22 117.38 2a7h n HIS 79 Ca -0.01 0.67 0.20 0.00 0.46 0.00 0.00 57.72 59.04 2a7h n HIS 79 Cb 0.49 -2.29 0.65 0.00 -0.12 0.00 0.00 29.99 28.72 2a7h n HIS 79 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2a7h h PRO 80 N 3.35 0.10 -0.49 1.57 0.13 -1.93 -1.41 132.00 133.33 2a7h h PRO 80 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a7h h PRO 80 Cb 1.34 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2a7h h PRO 80 CO 0.70 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 2a7h n SER 81 N -4.40 3.88 -4.69 1.44 7.64 -1.26 -4.98 113.62 111.25 2a7h n SER 81 Ca 0.11 -2.34 -0.43 0.00 1.01 0.00 0.00 58.87 57.22 2a7h n SER 81 Cb 0.61 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 2a7h n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a7h n TYR 82 N 0.70 2.56 -3.96 1.43 4.19 -0.53 -4.60 117.16 116.94 2a7h n TYR 82 Ca 0.20 -0.03 -0.34 0.00 3.31 0.00 0.00 57.90 61.04 2a7h n TYR 82 Cb 0.70 -2.68 -0.14 0.00 0.49 0.00 0.00 39.34 37.70 2a7h n TYR 82 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2a7h s ASN 83 N 2.24 4.43 0.15 2.98 3.84 -0.58 -4.98 114.94 123.02 2a7h s ASN 83 Ca 0.81 -1.02 0.26 0.00 0.21 0.00 0.00 52.86 53.12 2a7h s ASN 83 Cb -0.54 -1.66 0.94 0.00 -0.55 0.00 0.00 41.25 39.44 2a7h s ASN 83 CO 0.38 -0.16 1.79 -1.54 -2.79 0.00 0.00 177.10 174.78 2a7h n SER 84 N 4.63 0.53 -0.02 -4.21 3.41 -1.26 -0.46 113.62 116.24 2a7h n SER 84 Ca -0.16 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 58.86 2a7h n SER 84 Cb 0.46 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 2a7h n SER 84 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2a7h h ASN 85 N 0.00 0.53 0.13 4.04 -0.26 -1.97 -3.34 115.58 114.72 2a7h h ASN 85 Ca 0.00 -0.66 0.00 0.00 -0.56 0.00 0.00 56.30 55.08 2a7h h ASN 85 Cb 0.60 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2a7h h ASN 85 CO 0.00 1.11 -1.17 0.35 -1.06 0.00 0.00 177.43 176.66 2a7h n THR 86 N -4.29 0.04 -1.90 2.81 -2.24 -1.18 -4.97 114.28 102.55 2a7h n THR 86 Ca -0.08 -0.16 -0.21 0.00 -2.27 0.00 0.00 64.05 61.33 2a7h n THR 86 Cb 0.58 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 2a7h n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a7h n LEU 87 N -1.76 -1.66 -4.77 3.22 4.77 0.39 -4.98 117.00 112.21 2a7h n LEU 87 Ca 0.02 0.32 -0.40 0.00 -0.03 0.00 0.00 56.01 55.92 2a7h n LEU 87 Cb 0.40 -2.87 -0.02 0.00 -2.33 0.00 0.00 43.42 38.60 2a7h n LEU 87 CO 0.42 -0.76 0.91 0.21 -1.33 0.00 0.00 177.39 176.84 2a7h s ASN 88 N -2.49 6.76 -1.23 -1.43 2.47 -1.16 -3.01 114.94 114.85 2a7h s ASN 88 Ca 0.00 2.53 -0.02 0.00 0.42 0.00 0.00 52.86 55.79 2a7h s ASN 88 Cb 0.00 -2.64 -0.01 0.00 -1.45 0.00 0.00 41.25 37.16 2a7h s ASN 88 CO 0.00 -0.53 0.83 0.59 -3.72 0.00 0.00 177.10 174.28 2a7h n ASN 89 N 0.64 -2.24 -4.11 -4.21 4.13 -1.26 -1.53 115.26 106.68 2a7h n ASN 89 Ca 0.01 -0.75 -0.43 0.00 1.68 0.00 0.00 54.58 55.10 2a7h n ASN 89 Cb 0.44 -4.53 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 2a7h n ASN 89 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2a7h n ASP 90 N -3.08 4.71 -3.71 6.41 2.03 -1.16 -4.24 116.55 117.50 2a7h n ASP 90 Ca -0.26 -2.96 -0.14 0.00 0.52 0.00 0.00 54.79 51.95 2a7h n ASP 90 Cb 0.67 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.36 2a7h n ASP 90 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a7h s ILE 91 N 2.40 0.01 0.02 5.18 2.07 -1.26 -3.87 121.20 125.74 2a7h s ILE 91 Ca 0.46 -0.04 -0.10 0.00 -1.41 0.00 0.00 60.65 59.56 2a7h s ILE 91 Cb 0.07 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 42.00 2a7h s ILE 91 CO -0.01 -0.02 0.20 0.00 -1.91 0.00 0.00 174.94 173.19 2a7h s MET 92 N 0.03 0.62 -0.10 3.50 0.23 -0.16 -1.45 119.30 121.98 2a7h s MET 92 Ca -0.02 -0.48 -0.04 0.00 -1.03 0.00 0.00 55.69 54.12 2a7h s MET 92 Cb -0.03 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 2a7h s MET 92 CO 0.01 -0.17 0.06 -0.51 -2.03 0.00 0.00 175.02 172.38 2a7h s LEU 93 N -1.72 3.91 -0.10 0.18 1.43 0.24 -0.84 118.68 121.77 2a7h s LEU 93 Ca -0.10 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2a7h s LEU 93 Cb -0.04 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2a7h s LEU 93 CO -0.01 0.39 -0.14 -0.63 0.23 0.00 0.00 176.35 176.19 2a7h s ILE 94 N -0.95 1.42 -0.10 -0.59 1.01 0.82 -0.88 121.20 121.93 2a7h s ILE 94 Ca 0.14 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2a7h s ILE 94 Cb -0.12 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2a7h s ILE 94 CO 0.03 0.42 0.28 -0.75 0.00 0.00 0.00 174.94 174.93 2a7h s LYS 95 N 0.94 3.91 0.10 2.79 2.20 0.35 -1.06 119.74 128.97 2a7h s LYS 95 Ca -0.08 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2a7h s LYS 95 Cb -0.15 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2a7h s LYS 95 CO -0.00 0.54 0.99 -0.51 -0.36 0.00 0.00 175.35 176.01 2a7h s LEU 96 N -0.46 4.48 0.33 5.43 1.43 0.14 -0.10 118.68 129.91 2a7h s LEU 96 Ca 0.18 1.82 0.10 0.00 -1.03 0.00 0.00 54.13 55.20 2a7h s LEU 96 Cb -0.14 -3.59 0.88 0.00 0.03 0.00 0.00 46.19 43.37 2a7h s LEU 96 CO 0.07 -0.13 1.75 0.11 0.23 0.00 0.00 176.35 178.38 2a7h h LYS 97 N 5.73 0.59 -4.10 1.70 6.56 -0.44 -3.42 116.57 123.19 2a7h h LYS 97 Ca -0.43 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 58.99 2a7h h LYS 97 Cb 1.21 -0.13 -0.17 0.00 -0.57 0.00 0.00 32.23 32.57 2a7h h LYS 97 CO 0.73 0.39 -0.67 -1.54 -2.06 0.00 0.00 179.45 176.30 2a7h s SER 98 N -5.29 0.36 0.18 0.86 1.04 -1.26 -4.97 113.70 104.62 2a7h s SER 98 Ca -0.11 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 2a7h s SER 98 Cb 0.26 0.17 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 2a7h s SER 98 CO 0.80 -0.49 1.14 0.00 0.98 0.00 0.00 173.24 175.67 2a7h s ALA 99 N -2.92 3.40 0.56 5.32 0.00 -1.26 -4.88 121.76 121.97 2a7h s ALA 99 Ca -0.02 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 2a7h s ALA 99 Cb 0.01 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2a7h s ALA 99 CO -0.06 -0.28 1.31 0.00 0.00 0.00 0.00 175.76 176.73 2a7h n ALA 100 N 2.45 1.40 -2.55 0.00 0.00 0.22 -4.95 120.51 117.07 2a7h n ALA 100 Ca 0.03 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 2a7h n ALA 100 Cb 0.46 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 2a7h n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a7h s SER 101 N -0.99 6.44 0.04 0.00 0.15 -1.26 -4.83 113.70 113.25 2a7h s SER 101 Ca 0.73 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 57.06 2a7h s SER 101 Cb -0.42 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 2a7h s SER 101 CO 0.48 -0.88 1.05 -0.76 1.20 0.00 0.00 173.24 174.33 2a7h s LEU 102 N 3.26 4.39 0.00 3.45 1.43 -1.26 -4.77 118.68 125.19 2a7h s LEU 102 Ca 0.30 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 2a7h s LEU 102 Cb -0.12 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2a7h s LEU 102 CO 0.22 -0.31 0.17 -0.46 0.23 0.00 0.00 176.35 176.20 2a7h n ASN 103 N 3.71 -0.48 0.28 2.29 0.23 0.03 -4.98 115.26 116.35 2a7h n ASN 103 Ca 0.06 -1.46 0.16 0.00 -0.53 0.00 0.00 54.58 52.81 2a7h n ASN 103 Cb 0.49 0.84 0.84 0.00 -2.08 0.00 0.00 39.78 39.86 2a7h n ASN 103 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a7h h SER 104 N 0.52 0.00 0.27 0.53 4.64 -2.00 -2.81 113.55 114.69 2a7h h SER 104 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2a7h h SER 104 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2a7h h SER 104 CO 0.10 0.07 -1.00 0.54 -0.87 0.00 0.00 176.83 175.67 2a7h n ARG 105 N -3.43 0.17 -3.59 4.77 1.74 -1.26 -4.74 116.66 110.32 2a7h n ARG 105 Ca -0.02 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 2a7h n ARG 105 Cb 0.20 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 2a7h n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a7h s VAL 106 N -3.12 0.26 -0.00 1.55 1.01 -1.06 -4.12 120.40 114.91 2a7h s VAL 106 Ca 0.05 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2a7h s VAL 106 Cb 0.15 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 2a7h s VAL 106 CO 0.82 -0.75 0.02 0.00 0.00 0.00 0.00 175.10 175.18 2a7h s ALA 107 N 1.78 -0.04 0.55 5.51 0.00 -0.84 -0.79 121.76 127.94 2a7h s ALA 107 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 2a7h s ALA 107 Cb -0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2a7h s ALA 107 CO -0.28 -0.05 0.91 -1.54 0.00 0.00 0.00 175.76 174.80 2a7h s SER 108 N -0.32 6.27 -0.06 0.00 1.04 -1.26 -2.32 113.70 117.04 2a7h s SER 108 Ca -0.04 1.20 0.01 0.00 0.48 0.00 0.00 55.95 57.60 2a7h s SER 108 Cb -0.02 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2a7h s SER 108 CO -0.00 -0.71 -0.09 -0.51 0.98 0.00 0.00 173.24 172.91 2a7h s ILE 109 N -2.94 3.55 0.37 -1.02 1.10 0.41 -4.84 121.20 117.83 2a7h s ILE 109 Ca 0.52 -0.54 -0.28 0.00 -0.51 0.00 0.00 60.65 59.84 2a7h s ILE 109 Cb -0.11 -2.44 -0.10 0.00 0.15 0.00 0.00 42.46 39.97 2a7h s ILE 109 CO 0.48 0.60 1.38 -0.44 -2.11 0.00 0.00 174.94 174.84 2a7h s SER 110 N -0.78 6.47 0.56 4.50 0.01 -1.26 -4.58 113.70 118.63 2a7h s SER 110 Ca 0.12 2.82 -0.18 0.00 1.31 0.00 0.00 55.95 60.03 2a7h s SER 110 Cb -0.11 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2a7h s SER 110 CO 0.01 -0.76 1.07 -0.76 0.41 0.00 0.00 173.24 173.22 2a7h s LEU 111 N -2.09 3.63 0.50 2.44 1.43 -1.26 -0.41 118.68 122.92 2a7h s LEU 111 Ca 0.53 1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 55.33 2a7h s LEU 111 Cb -0.42 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.19 2a7h s LEU 111 CO 0.56 -1.12 1.23 -2.16 0.23 0.00 0.00 176.35 175.09 2a7h s PRO 112 N -3.71 3.51 0.05 1.29 0.04 -1.26 -4.76 135.00 130.17 2a7h s PRO 112 Ca 0.67 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.85 2a7h s PRO 112 Cb -0.18 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2a7h s PRO 112 CO 0.31 -0.79 1.01 0.25 0.04 0.00 0.00 177.00 177.81 2a7h n THR 113 N -0.74 0.17 -3.96 1.26 -2.24 -1.26 -4.93 114.28 102.59 2a7h n THR 113 Ca 0.09 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2a7h n THR 113 Cb 0.47 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 2a7h n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a7h s SER 114 N -3.96 -0.03 0.57 3.42 1.04 -1.26 -5.15 113.70 108.33 2a7h s SER 114 Ca 0.03 -0.92 -0.16 0.00 0.48 0.00 0.00 55.95 55.38 2a7h s SER 114 Cb 0.14 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 2a7h s SER 114 CO 0.81 -1.25 1.03 0.00 0.98 0.00 0.00 173.24 174.80 2a7h s ALA 116 N -2.55 3.93 0.36 0.00 0.00 -1.26 -5.10 121.76 117.15 2a7h s ALA 116 Ca 0.62 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2a7h s ALA 116 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2a7h s ALA 116 CO 0.36 0.11 0.34 -1.54 0.00 0.00 0.00 175.76 175.02 2a7h s SER 117 N -4.04 5.26 0.18 0.00 1.04 -1.26 -5.04 113.70 109.84 2a7h s SER 117 Ca 0.38 -0.56 -0.33 0.00 0.48 0.00 0.00 55.95 55.92 2a7h s SER 117 Cb -0.09 -0.84 -0.14 0.00 0.10 0.00 0.00 66.02 65.04 2a7h s SER 117 CO 0.31 -0.47 1.43 0.00 0.98 0.00 0.00 173.24 175.50 2a7h n ALA 118 N -1.46 0.65 0.00 5.32 0.00 -1.26 -1.73 120.51 122.03 2a7h n ALA 118 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2a7h n ALA 118 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2a7h n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a7h n GLY 119 N 2.67 3.38 3.73 0.00 0.00 0.12 -4.93 105.19 110.16 2a7h n GLY 119 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2a7h n GLY 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a7h n THR 120 N -1.80 0.71 -3.18 2.61 -1.04 -0.71 -4.60 114.28 106.27 2a7h n THR 120 Ca 0.00 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.05 61.44 2a7h n THR 120 Cb 0.00 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.53 2a7h n THR 120 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2a7h s GLN 121 N -0.00 4.32 0.14 -2.82 2.00 -1.26 -0.44 119.66 121.59 2a7h s GLN 121 Ca 0.68 0.84 0.06 0.00 -2.00 0.00 0.00 55.36 54.94 2a7h s GLN 121 Cb -0.52 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 2a7h s GLN 121 CO 0.44 0.53 -0.15 0.00 -0.50 0.00 0.00 175.29 175.61 2a7h s LEU 123 N -2.60 3.56 -0.10 0.00 2.96 0.40 -0.62 118.68 122.28 2a7h s LEU 123 Ca 0.11 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2a7h s LEU 123 Cb -0.04 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2a7h s LEU 123 CO 0.04 -0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.31 2a7h s ILE 124 N 1.65 3.49 0.06 6.68 1.01 0.89 -1.10 121.20 133.88 2a7h s ILE 124 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2a7h s ILE 124 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2a7h s ILE 124 CO 0.05 0.56 -0.05 -0.94 0.00 0.00 0.00 174.94 174.56 2a7h s SER 125 N -0.25 0.76 0.00 3.58 1.04 -1.20 -0.55 113.70 117.08 2a7h s SER 125 Ca 0.03 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2a7h s SER 125 Cb -0.13 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2a7h s SER 125 CO 0.03 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2a7h n GLY 126 N 0.44 0.34 1.40 7.32 0.00 -0.59 -4.38 105.19 109.72 2a7h n GLY 126 Ca -0.16 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 44.84 2a7h n GLY 126 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a7h n TRP 127 N -0.55 1.57 -1.53 1.61 8.01 -1.26 -0.99 117.44 124.30 2a7h n TRP 127 Ca 0.00 -1.00 -0.30 0.00 -1.31 0.00 0.00 57.50 54.89 2a7h n TRP 127 Cb 0.00 -0.47 0.23 0.00 -2.01 0.00 0.00 31.31 29.06 2a7h n TRP 127 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2a7h s GLY 128 N -1.54 1.72 0.36 6.99 0.00 -1.24 -4.22 107.32 109.38 2a7h s GLY 128 Ca 0.48 -1.21 -0.27 0.00 0.00 0.00 0.00 44.72 43.71 2a7h s GLY 128 CO 0.11 -0.33 1.30 -2.01 0.00 0.00 0.00 173.10 172.17 2a7h n ASN 129 N -4.34 2.80 -0.54 1.64 5.15 0.83 -2.52 115.26 118.28 2a7h n ASN 129 Ca 0.16 1.19 0.08 0.00 -0.60 0.00 0.00 54.58 55.41 2a7h n ASN 129 Cb 0.59 -1.50 0.05 0.00 -0.53 0.00 0.00 39.78 38.39 2a7h n ASN 129 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2a7h n THR 130 N 0.24 0.00 -3.48 -0.44 -2.24 -0.14 0.12 114.28 108.34 2a7h n THR 130 Ca 0.05 -0.45 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 2a7h n THR 130 Cb 0.37 1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 2a7h n THR 130 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2a7h s LYS 131 N -1.46 4.22 0.17 -0.78 3.01 -1.26 -4.36 119.74 119.29 2a7h s LYS 131 Ca 0.17 0.23 -0.07 0.00 -1.01 0.00 0.00 55.97 55.28 2a7h s LYS 131 Cb 0.13 -3.40 0.05 0.00 -1.01 0.00 0.00 37.83 33.60 2a7h s LYS 131 CO 0.25 0.27 1.52 1.03 0.51 0.00 0.00 175.35 178.94 2a7h h SER 132 N 6.44 0.86 -2.59 2.83 0.87 -1.94 -3.41 113.55 116.62 2a7h h SER 132 Ca -0.43 -0.39 -0.47 0.00 -1.23 0.00 0.00 61.79 59.27 2a7h h SER 132 Cb 1.18 -0.24 -0.38 0.00 -0.44 0.00 0.00 62.40 62.52 2a7h h SER 132 CO 0.74 1.14 -0.74 -0.44 -0.53 0.00 0.00 176.83 177.00 2a7h s SER 133 N -6.84 2.95 0.00 6.23 0.01 -1.26 -4.61 113.70 110.18 2a7h s SER 133 Ca -0.10 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2a7h s SER 133 Cb 0.12 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2a7h s SER 133 CO 0.86 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2a7h n GLY 134 N 5.18 0.75 2.79 3.44 0.00 -1.26 -5.09 105.19 110.99 2a7h n GLY 134 Ca -0.04 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 2a7h n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a7h s THR 135 N -1.26 0.34 -0.09 2.61 2.01 -1.26 -4.64 115.64 113.35 2a7h s THR 135 Ca 0.00 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2a7h s THR 135 Cb 0.00 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.08 2a7h s THR 135 CO 0.00 0.23 0.19 -0.55 -0.69 0.00 0.00 174.62 173.81 2a7h s SER 136 N 1.70 0.32 -0.12 3.53 0.15 -1.26 -4.98 113.70 113.03 2a7h s SER 136 Ca 0.01 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 2a7h s SER 136 Cb -0.13 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 2a7h s SER 136 CO -0.04 -0.21 -0.02 -0.31 1.20 0.00 0.00 173.24 173.86 2a7h s TYR 137 N 1.93 3.06 0.54 3.44 2.02 -1.26 -0.96 117.35 126.12 2a7h s TYR 137 Ca -0.02 -0.09 -0.09 0.00 -0.37 0.00 0.00 57.07 56.51 2a7h s TYR 137 Cb -0.12 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 2a7h s TYR 137 CO -0.07 0.17 0.90 -1.25 -1.57 0.00 0.00 175.55 173.74 2a7h s PRO 138 N -0.16 3.61 0.06 -1.71 0.04 -1.26 -4.99 135.00 130.59 2a7h s PRO 138 Ca 0.04 0.50 0.20 0.00 0.04 0.00 0.00 61.00 61.78 2a7h s PRO 138 Cb -0.13 -2.23 -0.16 0.00 0.04 0.00 0.00 34.50 32.02 2a7h s PRO 138 CO 0.02 -0.35 0.73 -0.25 0.04 0.00 0.00 177.00 177.19 2a7h n ASP 139 N -2.36 0.55 -4.95 6.66 8.00 -1.26 -4.90 116.55 118.29 2a7h n ASP 139 Ca 0.03 0.23 -0.25 0.00 0.71 0.00 0.00 54.79 55.51 2a7h n ASP 139 Cb 0.54 0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 42.44 2a7h n ASP 139 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2a7h s VAL 140 N -3.18 5.25 0.22 2.53 -7.23 -1.26 -0.17 120.40 116.55 2a7h s VAL 140 Ca -0.04 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2a7h s VAL 140 Cb 0.10 -3.78 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 2a7h s VAL 140 CO 0.83 -0.23 1.26 -0.22 -0.31 0.00 0.00 175.10 176.43 2a7h s LEU 141 N -3.56 4.44 0.16 1.32 2.96 -1.22 -4.78 118.68 117.99 2a7h s LEU 141 Ca 0.36 2.37 0.05 0.00 -0.22 0.00 0.00 54.13 56.70 2a7h s LEU 141 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2a7h s LEU 141 CO 0.30 -0.44 0.12 -0.54 -1.32 0.00 0.00 176.35 174.46 2a7h s LYS 142 N -0.48 2.84 0.06 1.98 -0.14 -0.16 -1.96 119.74 121.88 2a7h s LYS 142 Ca 0.53 -0.90 0.03 0.00 -1.36 0.00 0.00 55.97 54.28 2a7h s LYS 142 Cb -0.35 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.16 2a7h s LYS 142 CO 0.40 0.48 -0.09 0.00 -0.76 0.00 0.00 175.35 175.38 2a7h s LEU 144 N -1.97 0.33 -0.12 0.00 2.96 0.29 -0.23 118.68 119.94 2a7h s LEU 144 Ca -0.03 0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.90 2a7h s LEU 144 Cb -0.07 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.82 2a7h s LEU 144 CO -0.00 -0.20 0.74 -0.54 -1.32 0.00 0.00 176.35 175.03 2a7h s LYS 145 N 1.79 4.35 -0.08 1.98 1.02 -1.26 -0.08 119.74 127.46 2a7h s LYS 145 Ca -0.02 0.90 -0.12 0.00 0.02 0.00 0.00 55.97 56.75 2a7h s LYS 145 Cb -0.12 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 2a7h s LYS 145 CO -0.05 -0.13 0.31 0.00 -0.92 0.00 0.00 175.35 174.56 2a7h s ALA 146 N 1.47 -0.78 0.51 5.17 0.00 0.21 -4.92 121.76 123.41 2a7h s ALA 146 Ca 0.37 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 2a7h s ALA 146 Cb -0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 2a7h s ALA 146 CO 0.15 -0.19 0.95 -1.25 0.00 0.00 0.00 175.76 175.42 2a7h s PRO 147 N -0.38 3.85 0.12 0.00 0.04 -1.26 -0.82 135.00 136.55 2a7h s PRO 147 Ca -0.05 0.81 -0.31 0.00 0.04 0.00 0.00 61.00 61.49 2a7h s PRO 147 Cb -0.03 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2a7h s PRO 147 CO 0.02 -0.28 1.49 0.42 0.04 0.00 0.00 177.00 178.69 2a7h s ILE 148 N -2.68 3.03 0.36 0.56 1.01 0.42 -1.73 121.20 122.17 2a7h s ILE 148 Ca 0.56 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.82 2a7h s ILE 148 Cb -0.10 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 2a7h s ILE 148 CO 0.36 0.05 0.72 -0.76 0.00 0.00 0.00 174.94 175.30 2a7h s LEU 149 N 1.33 3.93 0.59 2.97 1.43 0.66 0.15 118.68 129.73 2a7h s LEU 149 Ca 0.68 1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 54.67 2a7h s LEU 149 Cb -0.40 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 41.83 2a7h s LEU 149 CO 0.31 -0.31 0.79 -1.54 0.23 0.00 0.00 176.35 175.82 2a7h n SER 150 N -1.01 0.05 -0.08 2.29 3.41 -1.26 -4.59 113.62 112.43 2a7h n SER 150 Ca 0.02 0.78 -0.10 0.00 -0.26 0.00 0.00 58.87 59.31 2a7h n SER 150 Cb 0.54 -1.30 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 2a7h n SER 150 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2a7h h ASP 151 N 0.39 0.35 -0.93 4.04 3.32 -1.97 -0.06 116.42 121.57 2a7h h ASP 151 Ca -0.47 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.53 2a7h h ASP 151 Cb 1.38 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2a7h h ASP 151 CO 0.49 0.33 0.61 0.77 -1.72 0.00 0.00 179.24 179.72 2a7h h SER 152 N 0.35 1.02 0.69 6.45 4.64 -1.98 0.14 113.55 124.86 2a7h h SER 152 Ca 0.10 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 2a7h h SER 152 Cb 0.05 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2a7h h SER 152 CO -0.02 0.71 -0.71 0.77 -0.87 0.00 0.00 176.83 176.71 2a7h h SER 153 N 1.19 0.02 -0.07 4.97 4.64 -1.84 -1.26 113.55 121.21 2a7h h SER 153 Ca 0.36 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2a7h h SER 153 Cb -0.03 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2a7h h SER 153 CO -0.11 0.73 0.04 0.00 -0.87 0.00 0.00 176.83 176.62 2a7h h LYS 155 N 0.02 0.00 -0.18 0.00 1.57 -0.94 -2.56 116.57 114.48 2a7h h LYS 155 Ca 0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 2a7h h LYS 155 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2a7h h LYS 155 CO -0.00 0.52 -0.58 0.77 -0.57 0.00 0.00 179.45 179.59 2a7h h SER 156 N 0.00 0.62 -0.40 0.86 0.02 -1.21 -2.20 113.55 111.24 2a7h h SER 156 Ca -0.01 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.49 2a7h h SER 156 Cb 1.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2a7h h SER 156 CO 0.07 1.06 -0.18 0.00 -1.14 0.00 0.00 176.83 176.64 2a7h h ALA 157 N 0.95 0.56 -2.19 3.77 0.00 -1.28 -3.36 119.26 117.72 2a7h h ALA 157 Ca 0.00 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 53.97 2a7h h ALA 157 Cb 1.13 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.36 2a7h h ALA 157 CO 0.11 0.51 -0.72 0.66 0.00 0.00 0.00 179.25 179.81 2a7h n TYR 158 N -4.25 3.05 -1.65 0.00 4.02 -0.98 -4.94 117.16 112.41 2a7h n TYR 158 Ca -0.01 -4.01 -0.45 0.00 -0.01 0.00 0.00 57.90 53.42 2a7h n TYR 158 Cb 0.42 -0.50 -0.02 0.00 -0.02 0.00 0.00 39.34 39.21 2a7h n TYR 158 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2a7h n PRO 159 N 0.49 1.79 -0.92 -0.72 -0.04 -0.83 -1.66 135.00 133.11 2a7h n PRO 159 Ca 0.29 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2a7h n PRO 159 Cb 0.44 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2a7h n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a7h n GLY 160 N 1.73 0.71 0.00 0.55 0.00 -1.26 -4.82 105.19 102.10 2a7h n GLY 160 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2a7h n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a7h n GLN 161 N -2.03 3.66 -4.07 1.61 6.02 -0.67 -5.02 117.38 116.88 2a7h n GLN 161 Ca 0.00 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.63 2a7h n GLN 161 Cb 0.02 -0.94 -0.09 0.00 1.02 0.00 0.00 30.24 30.25 2a7h n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2a7h s ILE 162 N -1.91 4.77 0.37 5.09 -1.09 -1.25 -5.01 121.20 122.17 2a7h s ILE 162 Ca 0.02 -0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.47 2a7h s ILE 162 Cb 0.06 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 2a7h s ILE 162 CO 0.34 0.51 0.16 0.42 -1.23 0.00 0.00 174.94 175.14 2a7h s THR 163 N -0.08 2.69 -1.09 2.92 -4.23 -1.26 -4.99 115.64 109.59 2a7h s THR 163 Ca 0.06 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2a7h s THR 163 Cb -0.12 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.79 2a7h s THR 163 CO 0.01 -0.11 1.08 -1.54 -0.54 0.00 0.00 174.62 173.52 2a7h n SER 164 N -1.19 0.00 -1.18 3.99 3.41 -1.26 -1.93 113.62 115.46 2a7h n SER 164 Ca -0.02 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.09 2a7h n SER 164 Cb 0.63 -0.45 0.24 0.00 -0.26 0.00 0.00 64.21 64.37 2a7h n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2a7h n ASN 165 N -1.45 3.43 -4.02 4.04 3.02 -1.26 -4.88 115.26 114.14 2a7h n ASN 165 Ca 0.01 -2.34 -0.11 0.00 -0.03 0.00 0.00 54.58 52.12 2a7h n ASN 165 Cb 0.04 -0.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 2a7h n ASN 165 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2a7h s MET 166 N -1.79 0.42 0.06 3.52 -1.94 -0.81 -0.60 119.30 118.15 2a7h s MET 166 Ca 0.34 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.60 2a7h s MET 166 Cb 0.23 -0.08 -0.03 0.00 2.01 0.00 0.00 34.83 36.96 2a7h s MET 166 CO 0.16 -0.00 0.01 -0.59 -0.01 0.00 0.00 175.02 174.59 2a7h s PHE 167 N -1.48 0.44 -0.06 -0.03 -0.12 0.14 -4.69 117.98 112.17 2a7h s PHE 167 Ca -0.13 -0.96 -0.09 0.00 -0.05 0.00 0.00 56.93 55.71 2a7h s PHE 167 Cb -0.10 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 2a7h s PHE 167 CO -0.01 -0.41 0.24 0.00 -0.05 0.00 0.00 175.22 175.00 2a7h s ALA 169 N -1.09 0.89 0.00 0.00 0.00 -1.03 -0.25 121.76 120.28 2a7h s ALA 169 Ca 0.20 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2a7h s ALA 169 Cb -0.14 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2a7h s ALA 169 CO 0.09 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2a7h n GLY 170 N 1.10 0.42 2.66 0.00 0.00 -0.70 -3.13 105.19 105.54 2a7h n GLY 170 Ca -0.20 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 2a7h n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a7h s TYR 171 N -3.12 0.16 0.60 1.61 1.51 -1.26 -4.16 117.35 112.69 2a7h s TYR 171 Ca 0.00 0.06 0.30 0.00 -1.01 0.00 0.00 57.07 56.41 2a7h s TYR 171 Cb 0.00 -0.57 1.69 0.00 -0.11 0.00 0.00 41.96 42.97 2a7h s TYR 171 CO 0.00 -0.29 2.09 -0.07 -1.11 0.00 0.00 175.55 176.17 2a7h h LEU 172 N 8.42 0.00 0.00 -1.29 3.38 -1.95 -1.34 115.31 122.53 2a7h h LEU 172 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2a7h h LEU 172 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2a7h h LEU 172 CO 0.20 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.89 2a7h n GLU 173 N -3.69 0.07 0.00 1.13 0.00 -1.26 -0.33 120.64 116.56 2a7h n GLU 173 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2a7h n GLU 173 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.28 2a7h n GLU 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2a7h n GLY 174 N 0.24 -1.35 3.69 -1.84 0.00 -0.51 -4.38 105.19 101.04 2a7h n GLY 174 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2a7h n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a7h n GLY 175 N 0.00 2.99 2.77 -0.02 0.00 0.18 -4.86 105.19 106.26 2a7h n GLY 175 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2a7h n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a7h s LYS 176 N -0.07 -0.02 0.13 1.61 1.02 -1.26 -3.71 119.74 117.44 2a7h s LYS 176 Ca 0.00 0.37 -0.25 0.00 0.02 0.00 0.00 55.97 56.11 2a7h s LYS 176 Cb 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 37.83 37.04 2a7h s LYS 176 CO 0.00 -0.26 0.88 0.34 -0.92 0.00 0.00 175.35 175.39 2a7h s ASP 177 N 1.76 -0.27 0.69 2.83 3.68 -0.29 -4.28 116.67 120.79 2a7h s ASP 177 Ca -0.01 -0.29 -0.10 0.00 2.13 0.00 0.00 52.55 54.27 2a7h s ASP 177 Cb -0.12 0.50 0.02 0.00 -1.45 0.00 0.00 42.92 41.87 2a7h s ASP 177 CO -0.04 -0.89 1.07 -0.94 0.13 0.00 0.00 175.17 174.49 2a7h s SER 178 N -2.80 5.39 0.37 -0.34 1.04 -1.26 -0.82 113.70 115.28 2a7h s SER 178 Ca 0.09 1.02 -0.10 0.00 0.48 0.00 0.00 55.95 57.44 2a7h s SER 178 Cb -0.02 -1.83 0.03 0.00 0.10 0.00 0.00 66.02 64.31 2a7h s SER 178 CO -0.01 -1.34 0.66 0.00 0.98 0.00 0.00 173.24 173.53 2a7h n GLN 180 N -0.54 1.49 0.00 0.00 1.13 -1.26 -0.75 117.38 117.44 2a7h n GLN 180 Ca -0.04 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2a7h n GLN 180 Cb 0.61 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2a7h n GLN 180 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a7h n GLY 181 N 2.31 3.20 0.10 1.08 0.00 -1.26 -0.12 105.19 110.50 2a7h n GLY 181 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2a7h n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2a7h h ASP 182 N 0.00 0.00 -2.36 1.61 3.32 -1.26 -3.30 116.42 114.42 2a7h h ASP 182 Ca 0.00 -0.10 -0.61 0.00 0.02 0.00 0.00 57.03 56.34 2a7h h ASP 182 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 2a7h h ASP 182 CO 0.00 0.05 0.05 -1.20 -1.72 0.00 0.00 179.24 176.42 2a7h n SER 183 N -2.43 0.98 0.00 6.45 7.64 -1.26 -1.27 113.62 123.73 2a7h n SER 183 Ca 0.02 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2a7h n SER 183 Cb 0.49 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2a7h n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a7h n GLY 184 N 1.31 3.26 3.72 0.23 0.00 -0.11 -0.29 105.19 113.31 2a7h n GLY 184 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2a7h n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a7h s GLY 185 N -2.20 1.59 0.36 -0.02 0.00 -0.40 -3.09 107.32 103.57 2a7h s GLY 185 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.20 2a7h s GLY 185 CO 0.00 0.27 0.99 2.56 0.00 0.00 0.00 173.10 176.93 2a7h s PRO 186 N -5.02 4.39 -0.30 2.90 0.04 -1.26 -1.07 135.00 134.68 2a7h s PRO 186 Ca 0.64 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2a7h s PRO 186 Cb -0.17 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.78 2a7h s PRO 186 CO 0.56 0.09 -0.02 0.08 0.04 0.00 0.00 177.00 177.75 2a7h s VAL 187 N -1.66 2.46 -0.22 -0.36 1.01 0.03 -3.21 120.40 118.45 2a7h s VAL 187 Ca 0.54 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 2a7h s VAL 187 Cb -0.20 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2a7h s VAL 187 CO 0.25 -0.23 0.06 -0.69 0.00 0.00 0.00 175.10 174.48 2a7h s VAL 188 N 1.09 4.37 -0.08 2.92 1.01 -0.26 -1.33 120.40 128.11 2a7h s VAL 188 Ca -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2a7h s VAL 188 Cb -0.20 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2a7h s VAL 188 CO -0.05 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.29 2a7h n SER 190 N 3.84 -0.51 0.00 0.00 7.64 -1.26 -1.20 113.62 122.13 2a7h n SER 190 Ca -0.21 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2a7h n SER 190 Cb 0.52 -3.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 2a7h n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a7h n GLY 191 N -1.94 0.53 3.36 0.23 0.00 -1.26 -5.00 105.19 101.11 2a7h n GLY 191 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2a7h n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a7h s LYS 192 N -0.46 1.32 -0.87 1.61 -0.14 -0.34 -4.10 119.74 116.76 2a7h s LYS 192 Ca 0.00 -1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 53.05 2a7h s LYS 192 Cb 0.00 -1.73 0.03 0.00 -1.68 0.00 0.00 37.83 34.45 2a7h s LYS 192 CO 0.00 0.40 1.48 -1.17 -0.76 0.00 0.00 175.35 175.30 2a7h s LEU 193 N -2.07 3.32 0.11 3.17 2.96 0.46 -0.69 118.68 125.93 2a7h s LEU 193 Ca 0.12 -0.83 0.16 0.00 -0.22 0.00 0.00 54.13 53.36 2a7h s LEU 193 Cb -0.10 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 2a7h s LEU 193 CO 0.06 -1.85 0.96 1.56 -1.32 0.00 0.00 176.35 175.76 2a7h h GLN 194 N 10.53 0.00 -4.33 1.98 1.08 -1.53 -3.36 115.11 119.48 2a7h h GLN 194 Ca -0.03 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.99 2a7h h GLN 194 Cb 1.04 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.29 2a7h h GLN 194 CO 1.33 0.33 -0.70 0.20 -0.95 0.00 0.00 178.83 179.05 2a7h s GLY 195 N -4.71 0.49 -0.04 3.46 0.00 -0.44 -1.38 107.32 104.70 2a7h s GLY 195 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2a7h s GLY 195 CO 0.80 -1.11 -0.14 -0.42 0.00 0.00 0.00 173.10 172.23 2a7h s ILE 196 N -2.82 1.22 -0.31 0.90 1.01 -1.02 -0.79 121.20 119.39 2a7h s ILE 196 Ca -0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 2a7h s ILE 196 Cb -0.00 -1.07 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 2a7h s ILE 196 CO -0.05 0.36 2.25 0.52 0.00 0.00 0.00 174.94 178.02 2a7h n VAL 197 N 3.32 0.23 0.00 2.92 0.31 -0.23 -0.63 118.33 124.25 2a7h n VAL 197 Ca -0.19 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2a7h n VAL 197 Cb 0.53 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 2a7h n VAL 197 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2a7h n SER 198 N 11.54 0.00 -2.01 4.52 2.88 -0.55 -0.93 113.62 129.07 2a7h n SER 198 Ca 0.35 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.83 2a7h n SER 198 Cb 0.37 -0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2a7h n SER 198 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2a7h n TRP 199 N -2.11 -1.31 0.00 0.66 4.27 -0.67 -4.91 117.44 113.38 2a7h n TRP 199 Ca 0.00 -1.14 0.00 0.00 -3.89 0.00 0.00 57.50 52.47 2a7h n TRP 199 Cb 0.00 0.38 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 2a7h n TRP 199 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2a7h n GLY 200 N -0.30 -0.81 3.25 -1.67 0.00 -1.26 -0.67 105.19 103.74 2a7h n GLY 200 Ca -0.02 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 2a7h n GLY 200 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7h s SER 201 N 0.00 5.59 0.86 1.61 0.15 -1.26 -4.98 113.70 115.66 2a7h s SER 201 Ca 0.00 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2a7h s SER 201 Cb 0.00 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2a7h s SER 201 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2a7h n GLY 202 N 4.88 0.71 2.95 9.45 0.00 -1.26 -4.68 105.19 117.24 2a7h n GLY 202 Ca -0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2a7h n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7h n ALA 204 N 3.62 -0.40 -1.81 0.00 0.00 -1.26 -4.69 120.51 115.97 2a7h n ALA 204 Ca -0.20 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 2a7h n ALA 204 Cb 0.55 -1.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 2a7h n ALA 204 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2a7h s GLN 205 N -3.99 4.29 0.21 0.00 -1.52 -1.26 0.50 119.66 117.89 2a7h s GLN 205 Ca 0.00 1.17 -0.32 0.00 -1.95 0.00 0.00 55.36 54.25 2a7h s GLN 205 Cb 0.00 -2.30 -0.13 0.00 -0.22 0.00 0.00 33.01 30.36 2a7h s GLN 205 CO 0.00 0.02 1.52 1.17 -0.25 0.00 0.00 175.29 177.75 2a7h n LYS 206 N -0.42 2.21 -1.39 2.91 4.81 -1.26 -2.41 118.16 122.60 2a7h n LYS 206 Ca 0.06 0.79 -0.12 0.00 -0.87 0.00 0.00 58.31 58.17 2a7h n LYS 206 Cb 0.53 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.01 2a7h n LYS 206 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2a7h n ASN 207 N 2.79 -4.39 -3.17 3.14 3.02 0.55 -4.90 115.26 112.31 2a7h n ASN 207 Ca 0.14 0.28 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 2a7h n ASN 207 Cb 0.31 -2.96 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 2a7h n ASN 207 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2a7h n LYS 208 N -2.63 1.17 -1.14 3.52 4.76 -1.01 -4.64 118.16 118.19 2a7h n LYS 208 Ca -0.12 -3.51 -0.31 0.00 -2.87 0.00 0.00 58.31 51.50 2a7h n LYS 208 Cb 0.40 -1.74 0.12 0.00 -1.84 0.00 0.00 35.03 31.97 2a7h n LYS 208 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2a7h s PRO 209 N -2.47 1.79 0.48 1.97 0.04 -1.26 -4.37 135.00 131.18 2a7h s PRO 209 Ca 0.41 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2a7h s PRO 209 Cb 0.34 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.96 2a7h s PRO 209 CO -0.09 -1.97 1.35 0.20 0.04 0.00 0.00 177.00 176.53 2a7h s GLY 210 N -3.26 2.89 -0.13 0.56 0.00 -1.18 -4.60 107.32 101.60 2a7h s GLY 210 Ca 0.63 1.31 -0.05 0.00 0.00 0.00 0.00 44.72 46.60 2a7h s GLY 210 CO 0.57 1.86 0.07 0.14 0.00 0.00 0.00 173.10 175.73 2a7h s VAL 211 N -1.29 4.86 0.01 1.40 1.01 0.15 -2.46 120.40 124.08 2a7h s VAL 211 Ca 0.64 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2a7h s VAL 211 Cb -0.40 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2a7h s VAL 211 CO 0.49 0.57 -0.11 -0.31 0.00 0.00 0.00 175.10 175.74 2a7h s TYR 212 N -0.55 0.93 0.14 5.22 2.02 0.92 -1.49 117.35 124.54 2a7h s TYR 212 Ca 0.11 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.26 2a7h s TYR 212 Cb -0.12 -0.58 -0.08 0.00 -0.40 0.00 0.00 41.96 40.78 2a7h s TYR 212 CO 0.02 -0.01 1.30 0.99 -1.57 0.00 0.00 175.55 176.28 2a7h s THR 213 N -0.49 3.47 -0.98 -0.71 2.01 0.19 -0.68 115.64 118.45 2a7h s THR 213 Ca 0.02 1.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.94 2a7h s THR 213 Cb -0.05 -3.72 0.10 0.00 0.01 0.00 0.00 72.50 68.84 2a7h s THR 213 CO 0.00 0.12 1.27 -0.75 -0.69 0.00 0.00 174.62 174.58 2a7h s LYS 214 N 0.55 3.63 0.40 4.92 2.20 0.23 -2.44 119.74 129.24 2a7h s LYS 214 Ca 0.59 -1.58 0.18 0.00 -0.36 0.00 0.00 55.97 54.80 2a7h s LYS 214 Cb -0.35 -5.10 1.08 0.00 -1.51 0.00 0.00 37.83 31.96 2a7h s LYS 214 CO 0.33 -1.94 1.80 0.28 -0.36 0.00 0.00 175.35 175.46 2a7h h VAL 215 N 6.12 0.58 0.00 4.02 2.07 -1.52 -1.98 116.25 125.54 2a7h h VAL 215 Ca 0.19 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2a7h h VAL 215 Cb 1.01 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2a7h h VAL 215 CO 1.24 0.08 -0.06 0.00 0.02 0.00 0.00 177.57 178.84 2a7h h ASN 217 N 0.00 0.00 -0.08 0.00 4.21 -1.74 -3.34 115.58 114.62 2a7h h ASN 217 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2a7h h ASN 217 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2a7h h ASN 217 CO 0.01 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.93 2a7h n TYR 218 N -2.44 0.10 -0.15 1.19 4.01 0.73 -4.71 117.16 115.89 2a7h n TYR 218 Ca 0.01 -0.14 -0.09 0.00 -0.16 0.00 0.00 57.90 57.52 2a7h n TYR 218 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2a7h n TYR 218 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2a7h h VAL 219 N 1.59 1.19 -0.66 -0.72 2.07 -1.67 0.33 116.25 118.38 2a7h h VAL 219 Ca 0.00 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2a7h h VAL 219 Cb 0.44 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2a7h h VAL 219 CO 0.00 0.21 0.09 0.28 0.02 0.00 0.00 177.57 178.17 2a7h h SER 220 N 0.56 1.07 -0.44 0.57 0.02 -1.89 -1.02 113.55 112.42 2a7h h SER 220 Ca 0.15 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2a7h h SER 220 Cb 0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2a7h h SER 220 CO -0.02 1.07 0.27 -0.25 -1.14 0.00 0.00 176.83 176.76 2a7h h TRP 221 N 1.03 0.51 -0.04 3.45 7.01 -1.69 0.11 115.95 126.34 2a7h h TRP 221 Ca 0.20 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2a7h h TRP 221 Cb 0.47 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2a7h h TRP 221 CO 0.03 0.31 0.02 0.82 -2.79 0.00 0.00 178.44 176.83 2a7h h ILE 222 N 0.55 1.13 -0.42 2.65 2.04 -0.07 -0.84 117.51 122.56 2a7h h ILE 222 Ca 0.17 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2a7h h ILE 222 Cb -0.02 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2a7h h ILE 222 CO -0.06 0.11 0.10 0.11 0.00 0.00 0.00 178.15 178.41 2a7h h LYS 223 N -0.09 0.67 -0.75 2.37 1.57 -1.09 0.36 116.57 119.61 2a7h h LYS 223 Ca 0.01 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2a7h h LYS 223 Cb 0.16 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2a7h h LYS 223 CO -0.00 0.69 0.40 1.96 -0.57 0.00 0.00 179.45 181.93 2a7h h GLN 224 N 0.54 1.05 -0.09 3.15 4.20 -0.70 -1.93 115.11 121.32 2a7h h GLN 224 Ca 0.13 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2a7h h GLN 224 Cb 0.32 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2a7h h GLN 224 CO 0.00 0.78 -0.04 1.15 -0.67 0.00 0.00 178.83 180.05 2a7h h THR 225 N 1.04 1.32 -0.70 -0.54 2.02 -0.84 -1.86 112.91 113.34 2a7h h THR 225 Ca 0.26 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.42 2a7h h THR 225 Cb 0.05 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 2a7h h THR 225 CO -0.04 0.30 0.43 0.40 0.37 0.00 0.00 175.52 176.98 2a7h h ILE 226 N -0.17 1.06 0.00 3.11 5.03 -0.95 -2.17 117.51 123.42 2a7h h ILE 226 Ca 0.02 -0.28 -0.05 0.00 -0.12 0.00 0.00 64.86 64.42 2a7h h ILE 226 Cb 0.49 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2a7h h ILE 226 CO 0.01 0.15 -0.25 0.00 -0.68 0.00 0.00 178.15 177.38 2a7h h ALA 227 N 1.32 1.30 -0.13 1.87 0.00 -1.09 -2.79 119.26 119.74 2a7h h ALA 227 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2a7h h ALA 227 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2a7h h ALA 227 CO -0.13 0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.86 2a7h n SER 228 N -3.83 2.95 0.00 0.00 7.64 -0.72 -5.10 113.62 114.57 2a7h n SER 228 Ca -0.02 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2a7h n SER 228 Cb 0.35 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2a7h n SER 228 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62