#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa0 s VAL 8 N 0.00 5.34 -0.73 1.39 1.01 0.10 -4.13 120.40 123.38 1qa0 s VAL 8 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1qa0 s VAL 8 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1qa0 s VAL 8 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1qa0 n GLY 9 N 4.20 0.19 0.00 4.51 0.00 -1.25 -1.67 105.19 111.17 1qa0 n GLY 9 Ca -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1qa0 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa0 n GLY 10 N -1.17 2.42 3.25 -0.02 0.00 -1.26 -4.88 105.19 103.54 1qa0 n GLY 10 Ca -0.10 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1qa0 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qa0 s TYR 11 N 1.47 1.26 -0.05 1.61 -0.85 -0.05 -4.92 117.35 115.82 1qa0 s TYR 11 Ca 0.00 -0.98 -0.30 0.00 -0.52 0.00 0.00 57.07 55.27 1qa0 s TYR 11 Cb 0.00 -0.72 -0.05 0.00 0.38 0.00 0.00 41.96 41.57 1qa0 s TYR 11 CO 0.00 -0.16 1.53 0.99 -1.52 0.00 0.00 175.55 176.39 1qa0 s THR 12 N -3.60 3.68 0.10 -3.49 2.01 -1.26 -0.03 115.64 113.04 1qa0 s THR 12 Ca 0.24 0.91 -0.25 0.00 0.31 0.00 0.00 61.69 62.90 1qa0 s THR 12 Cb 0.06 -3.59 -0.12 0.00 0.01 0.00 0.00 72.50 68.86 1qa0 s THR 12 CO 0.04 -0.06 1.69 0.00 -0.69 0.00 0.00 174.62 175.61 1qa0 n GLY 14 N -1.25 2.92 3.62 0.00 0.00 -1.26 -4.86 105.19 104.36 1qa0 n GLY 14 Ca -0.07 -1.68 -0.53 0.00 0.00 0.00 0.00 46.02 43.74 1qa0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa0 n ALA 15 N 0.44 -0.71 -3.53 4.61 0.00 -1.26 -2.97 120.51 117.09 1qa0 n ALA 15 Ca 0.00 0.48 -0.25 0.00 0.00 0.00 0.00 53.44 53.67 1qa0 n ALA 15 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.31 1qa0 n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qa0 n ASN 16 N 3.30 -3.24 0.12 0.00 4.13 -1.26 -4.83 115.26 113.48 1qa0 n ASN 16 Ca 0.20 -0.49 0.04 0.00 1.68 0.00 0.00 54.58 56.02 1qa0 n ASN 16 Cb 0.18 -2.70 0.01 0.00 -1.54 0.00 0.00 39.78 35.73 1qa0 n ASN 16 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1qa0 h THR 17 N -0.95 0.58 -2.90 3.41 2.02 -1.86 -3.37 112.91 109.84 1qa0 h THR 17 Ca -0.43 -1.89 -0.62 0.00 0.77 0.00 0.00 66.41 64.24 1qa0 h THR 17 Cb 1.29 2.18 -0.42 0.00 -1.74 0.00 0.00 68.15 69.46 1qa0 h THR 17 CO 0.56 0.33 -0.57 0.52 0.37 0.00 0.00 175.52 176.73 1qa0 n VAL 18 N -3.07 1.81 0.47 3.16 0.31 -1.26 -4.97 118.33 114.78 1qa0 n VAL 18 Ca -0.01 -4.95 0.07 0.00 -0.01 0.00 0.00 64.34 59.43 1qa0 n VAL 18 Cb 0.72 -2.17 0.29 0.00 -0.91 0.00 0.00 33.84 31.77 1qa0 n VAL 18 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qa0 n PRO 19 N 1.71 0.00 0.02 5.55 -0.04 -1.26 -2.61 135.00 138.38 1qa0 n PRO 19 Ca 0.22 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1qa0 n PRO 19 Cb 0.36 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1qa0 n PRO 19 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1qa0 n TYR 20 N -1.50 0.18 -2.18 0.54 0.18 -1.20 -1.80 117.16 111.38 1qa0 n TYR 20 Ca 0.03 0.05 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 1qa0 n TYR 20 Cb 0.16 -0.34 -0.03 0.00 -0.38 0.00 0.00 39.34 38.75 1qa0 n TYR 20 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1qa0 s GLN 21 N -3.12 4.29 0.07 -3.48 2.00 -1.07 -1.60 119.66 116.76 1qa0 s GLN 21 Ca 0.06 2.03 0.09 0.00 -2.00 0.00 0.00 55.36 55.54 1qa0 s GLN 21 Cb 0.15 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 30.48 1qa0 s GLN 21 CO 0.78 -0.53 -0.21 0.08 -0.50 0.00 0.00 175.29 174.91 1qa0 s VAL 22 N 1.91 2.57 -0.16 1.34 1.01 -0.32 -4.44 120.40 122.32 1qa0 s VAL 22 Ca 0.65 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1qa0 s VAL 22 Cb -0.34 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1qa0 s VAL 22 CO 0.28 0.25 -0.07 -0.55 0.00 0.00 0.00 175.10 175.02 1qa0 s SER 23 N -1.65 4.46 -0.18 3.32 0.15 -0.83 -1.59 113.70 117.39 1qa0 s SER 23 Ca 0.15 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 1qa0 s SER 23 Cb -0.10 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1qa0 s SER 23 CO 0.06 0.14 0.43 -0.76 1.20 0.00 0.00 173.24 174.30 1qa0 s LEU 24 N 0.53 4.19 -0.02 3.45 1.43 0.23 -0.98 118.68 127.51 1qa0 s LEU 24 Ca -0.05 0.61 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 1qa0 s LEU 24 Cb -0.15 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 1qa0 s LEU 24 CO 0.03 -0.06 -0.25 0.21 0.23 0.00 0.00 176.35 176.50 1qa0 s ASN 25 N 0.92 3.09 -0.29 2.29 3.84 0.64 -1.57 114.94 123.86 1qa0 s ASN 25 Ca 0.21 -0.46 0.20 0.00 0.21 0.00 0.00 52.86 53.02 1qa0 s ASN 25 Cb -0.15 -0.40 0.48 0.00 -0.55 0.00 0.00 41.25 40.63 1qa0 s ASN 25 CO 0.08 0.31 1.04 -1.54 -2.79 0.00 0.00 177.10 174.21 1qa0 n SER 26 N 2.48 1.64 0.00 -4.21 3.41 -1.26 -1.09 113.62 114.59 1qa0 n SER 26 Ca -0.16 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1qa0 n SER 26 Cb 0.51 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1qa0 n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qa0 n GLY 27 N -0.36 0.60 3.54 5.00 0.00 -1.26 -5.01 105.19 107.69 1qa0 n GLY 27 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1qa0 n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qa0 s TYR 28 N -2.00 -0.33 0.01 1.61 1.13 -1.26 -5.15 117.35 111.36 1qa0 s TYR 28 Ca 0.00 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 1qa0 s TYR 28 Cb 0.00 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 1qa0 s TYR 28 CO 0.00 -0.65 1.24 -1.58 -2.51 0.00 0.00 175.55 172.05 1qa0 s HIS 29 N -3.26 3.24 0.00 -3.49 5.65 -1.26 -4.18 115.29 112.00 1qa0 s HIS 29 Ca 0.06 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.55 1qa0 s HIS 29 Cb -0.01 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 1qa0 s HIS 29 CO -0.07 -1.52 0.00 1.97 -0.65 0.00 0.00 174.74 174.47 1qa0 n PHE 30 N 4.64 0.00 -3.50 3.88 1.16 -0.61 -4.96 117.46 118.07 1qa0 n PHE 30 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 1qa0 n PHE 30 Cb 0.46 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 1qa0 n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qa0 s GLY 32 N -2.09 1.88 0.24 0.00 0.00 0.86 0.75 107.32 108.96 1qa0 s GLY 32 Ca 0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 44.72 42.97 1qa0 s GLY 32 CO -0.05 -1.29 0.85 -0.32 0.00 0.00 0.00 173.10 172.29 1qa0 s GLY 33 N -4.40 -0.07 -0.05 0.20 0.00 -0.62 -3.72 107.32 98.65 1qa0 s GLY 33 Ca 0.57 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1qa0 s GLY 33 CO 0.36 0.13 -0.14 -0.56 0.00 0.00 0.00 173.10 172.89 1qa0 s SER 34 N -2.99 1.85 -0.22 1.64 0.01 -0.40 -1.17 113.70 112.42 1qa0 s SER 34 Ca 0.13 -0.31 -0.26 0.00 1.31 0.00 0.00 55.95 56.83 1qa0 s SER 34 Cb -0.04 -0.67 -0.00 0.00 0.21 0.00 0.00 66.02 65.51 1qa0 s SER 34 CO 0.06 0.09 0.88 -0.22 0.41 0.00 0.00 173.24 174.45 1qa0 s LEU 35 N 0.35 4.11 -0.02 2.44 2.96 -0.63 -0.39 118.68 127.50 1qa0 s LEU 35 Ca -0.09 1.15 0.20 0.00 -0.22 0.00 0.00 54.13 55.17 1qa0 s LEU 35 Cb -0.13 -3.28 -0.28 0.00 0.50 0.00 0.00 46.19 43.00 1qa0 s LEU 35 CO 0.03 -0.52 0.54 2.30 -1.32 0.00 0.00 176.35 177.38 1qa0 n ILE 36 N 5.12 0.00 -3.83 6.68 -5.35 -0.30 -0.63 119.36 121.06 1qa0 n ILE 36 Ca 0.07 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.15 1qa0 n ILE 36 Cb 0.48 0.31 0.01 0.00 -1.74 0.00 0.00 39.64 38.70 1qa0 n ILE 36 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1qa0 s ASN 37 N -3.88 -0.06 0.45 7.28 2.20 -1.18 -4.57 114.94 115.18 1qa0 s ASN 37 Ca -0.03 -0.75 0.30 0.00 -0.94 0.00 0.00 52.86 51.44 1qa0 s ASN 37 Cb 0.13 0.62 1.60 0.00 -2.00 0.00 0.00 41.25 41.61 1qa0 s ASN 37 CO 0.82 -1.21 1.92 0.77 -2.94 0.00 0.00 177.10 176.46 1qa0 h SER 38 N 2.00 0.00 0.00 3.54 4.64 -1.95 -3.15 113.55 118.63 1qa0 h SER 38 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1qa0 h SER 38 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qa0 h SER 38 CO 0.34 0.00 -0.82 0.00 -0.87 0.00 0.00 176.83 175.48 1qa0 n GLN 39 N -2.57 2.40 -4.82 4.77 6.02 -1.26 -0.43 117.38 121.48 1qa0 n GLN 39 Ca -0.02 -0.03 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 1qa0 n GLN 39 Cb 0.07 -0.97 -0.15 0.00 1.02 0.00 0.00 30.24 30.21 1qa0 n GLN 39 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1qa0 s TRP 40 N -2.01 1.65 -0.04 1.08 0.52 -1.19 -0.42 118.94 118.52 1qa0 s TRP 40 Ca -0.00 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1qa0 s TRP 40 Cb 0.04 -1.05 -0.01 0.00 -1.15 0.00 0.00 33.47 31.30 1qa0 s TRP 40 CO 0.24 -0.01 -0.22 0.08 0.02 0.00 0.00 176.95 177.06 1qa0 s VAL 41 N -0.51 1.80 -0.03 4.03 1.01 0.15 -1.15 120.40 125.71 1qa0 s VAL 41 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1qa0 s VAL 41 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1qa0 s VAL 41 CO -0.00 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 1qa0 s VAL 42 N -0.18 4.55 0.00 2.92 1.01 0.48 -0.75 120.40 128.42 1qa0 s VAL 42 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1qa0 s VAL 42 Cb -0.12 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1qa0 s VAL 42 CO 0.02 0.42 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 1qa0 n SER 43 N 1.47 0.00 -4.86 3.32 2.88 -0.01 -1.27 113.62 115.15 1qa0 n SER 43 Ca -0.15 -0.70 -0.35 0.00 -1.33 0.00 0.00 58.87 56.34 1qa0 n SER 43 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1qa0 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qa0 s ALA 44 N -1.35 3.69 0.33 -1.46 0.00 -1.26 -1.42 121.76 120.29 1qa0 s ALA 44 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1qa0 s ALA 44 Cb 0.00 -2.34 0.58 0.00 0.00 0.00 0.00 23.12 21.36 1qa0 s ALA 44 CO 0.00 0.53 1.93 0.00 0.00 0.00 0.00 175.76 178.21 1qa0 h ALA 45 N 3.88 1.42 0.00 0.00 0.00 -1.70 -2.51 119.26 120.35 1qa0 h ALA 45 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1qa0 h ALA 45 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qa0 h ALA 45 CO 0.65 0.44 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 1qa0 n HIS 46 N -4.35 0.12 1.25 0.00 1.44 -1.26 -1.67 115.22 110.74 1qa0 n HIS 46 Ca 0.04 0.05 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 1qa0 n HIS 46 Cb 0.15 -0.59 0.41 0.00 0.12 0.00 0.00 29.99 30.08 1qa0 n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qa0 n TYR 48 N -0.78 2.17 -3.49 0.00 4.19 -0.67 -4.97 117.16 113.61 1qa0 n TYR 48 Ca 0.12 0.45 -0.12 0.00 3.31 0.00 0.00 57.90 61.66 1qa0 n TYR 48 Cb 0.34 -2.45 -0.03 0.00 0.49 0.00 0.00 39.34 37.68 1qa0 n TYR 48 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1qa0 s LYS 49 N -0.64 1.01 0.24 2.98 2.20 -1.26 -5.15 119.74 119.12 1qa0 s LYS 49 Ca 0.66 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 1qa0 s LYS 49 Cb -0.64 0.47 -0.08 0.00 -1.51 0.00 0.00 37.83 36.08 1qa0 s LYS 49 CO 0.52 -0.40 0.59 0.45 -0.36 0.00 0.00 175.35 176.15 1qa0 s SER 50 N -2.09 6.70 -0.84 1.43 0.15 -1.26 -4.53 113.70 113.26 1qa0 s SER 50 Ca -0.01 1.04 -0.03 0.00 0.70 0.00 0.00 55.95 57.65 1qa0 s SER 50 Cb -0.01 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1qa0 s SER 50 CO -0.05 -0.07 0.72 0.61 1.20 0.00 0.00 173.24 175.65 1qa0 n GLY 51 N -0.00 -0.45 3.81 9.45 0.00 -1.26 -5.02 105.19 111.72 1qa0 n GLY 51 Ca 0.00 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1qa0 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qa0 s ILE 52 N -3.28 4.95 -0.14 -0.61 1.01 -1.26 -4.65 121.20 117.21 1qa0 s ILE 52 Ca 0.20 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1qa0 s ILE 52 Cb -0.03 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1qa0 s ILE 52 CO 0.55 0.54 -0.16 -1.58 0.00 0.00 0.00 174.94 174.30 1qa0 s GLN 53 N -0.89 3.23 -0.20 2.79 0.74 -0.25 -2.26 119.66 122.82 1qa0 s GLN 53 Ca 0.26 -0.75 -0.15 0.00 0.05 0.00 0.00 55.36 54.77 1qa0 s GLN 53 Cb -0.17 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1qa0 s GLN 53 CO 0.15 0.07 0.34 0.08 -0.55 0.00 0.00 175.29 175.37 1qa0 s VAL 54 N 0.68 5.25 -0.27 1.34 1.01 0.65 -0.26 120.40 128.79 1qa0 s VAL 54 Ca -0.08 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1qa0 s VAL 54 Cb -0.16 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1qa0 s VAL 54 CO 0.02 0.30 -0.00 -0.13 0.00 0.00 0.00 175.10 175.28 1qa0 s ARG 55 N 1.09 2.83 0.20 2.72 0.52 -0.15 -0.31 118.95 125.85 1qa0 s ARG 55 Ca 0.17 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1qa0 s ARG 55 Cb -0.14 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1qa0 s ARG 55 CO 0.07 -0.46 0.11 -0.51 0.02 0.00 0.00 175.30 174.53 1qa0 s LEU 56 N 1.36 3.65 -1.39 2.53 1.02 0.43 -1.97 118.68 124.32 1qa0 s LEU 56 Ca -0.00 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1qa0 s LEU 56 Cb -0.17 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1qa0 s LEU 56 CO -0.02 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.00 1qa0 n GLY 57 N -0.58 0.56 3.84 -3.19 0.00 -1.26 -0.98 105.19 103.57 1qa0 n GLY 57 Ca -0.08 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1qa0 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qa0 s GLU 58 N -4.05 4.07 0.00 1.61 0.41 -1.26 -4.09 118.70 115.38 1qa0 s GLU 58 Ca 0.00 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1qa0 s GLU 58 Cb 0.00 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1qa0 s GLU 58 CO 0.00 0.24 0.00 -3.47 -0.49 0.00 0.00 175.26 171.54 1qa0 n ASP 59 N 0.01 0.00 -4.61 -0.19 2.03 -1.26 -4.65 116.55 107.88 1qa0 n ASP 59 Ca 0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 1qa0 n ASP 59 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1qa0 n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1qa0 s ASN 60 N -1.08 6.66 0.00 1.67 3.84 -1.25 -3.42 114.94 121.35 1qa0 s ASN 60 Ca 0.00 0.68 0.23 0.00 0.21 0.00 0.00 52.86 53.97 1qa0 s ASN 60 Cb 0.00 -2.40 1.19 0.00 -0.55 0.00 0.00 41.25 39.49 1qa0 s ASN 60 CO 0.00 -0.59 1.73 2.30 -2.79 0.00 0.00 177.10 177.75 1qa0 n ILE 61 N 5.50 0.23 0.59 -5.21 -5.35 -0.13 -2.98 119.36 112.00 1qa0 n ILE 61 Ca 0.03 0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.64 1qa0 n ILE 61 Cb 0.48 -0.69 0.03 0.00 -1.74 0.00 0.00 39.64 37.72 1qa0 n ILE 61 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1qa0 n ASN 62 N -1.22 1.79 -4.00 7.28 3.02 -1.26 -4.98 115.26 115.88 1qa0 n ASN 62 Ca 0.12 -1.39 -0.18 0.00 -0.03 0.00 0.00 54.58 53.10 1qa0 n ASN 62 Cb 0.15 0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 1qa0 n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qa0 s VAL 63 N -1.42 0.62 -0.42 2.41 1.01 -1.16 -5.10 120.40 116.33 1qa0 s VAL 63 Ca 0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1qa0 s VAL 63 Cb 0.11 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1qa0 s VAL 63 CO 0.26 0.16 0.97 -0.69 0.00 0.00 0.00 175.10 175.80 1qa0 s VAL 64 N -0.20 4.47 -1.05 2.92 1.01 -1.26 -4.70 120.40 121.59 1qa0 s VAL 64 Ca 0.03 1.04 0.21 0.00 0.00 0.00 0.00 61.98 63.26 1qa0 s VAL 64 Cb -0.03 -4.42 -0.20 0.00 0.00 0.00 0.00 36.38 31.72 1qa0 s VAL 64 CO -0.00 -0.73 0.94 -0.62 0.00 0.00 0.00 175.10 174.69 1qa0 n GLU 65 N 7.11 0.06 0.00 2.72 1.02 -1.26 -5.01 120.64 125.28 1qa0 n GLU 65 Ca 0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1qa0 n GLU 65 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1qa0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qa0 n GLY 66 N 1.50 1.74 1.45 0.62 0.00 -1.26 -4.96 105.19 104.28 1qa0 n GLY 66 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1qa0 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qa0 n ASN 67 N 0.00 4.25 -4.84 1.61 3.02 -1.26 -5.00 115.26 113.04 1qa0 n ASN 67 Ca 0.00 -2.15 -0.33 0.00 -0.03 0.00 0.00 54.58 52.08 1qa0 n ASN 67 Cb 0.00 -0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 1qa0 n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qa0 s GLU 68 N -1.28 4.08 -0.16 3.52 8.01 -1.26 -4.44 118.70 127.17 1qa0 s GLU 68 Ca 0.50 0.81 0.00 0.00 0.01 0.00 0.00 54.97 56.30 1qa0 s GLU 68 Cb 0.28 -2.36 0.02 0.00 -4.31 0.00 0.00 34.13 27.76 1qa0 s GLU 68 CO 0.31 0.10 -0.15 -0.65 0.01 0.00 0.00 175.26 174.89 1qa0 s GLN 69 N -3.02 2.37 -0.28 1.61 -0.21 -0.15 -4.99 119.66 114.99 1qa0 s GLN 69 Ca 0.56 -0.61 -0.08 0.00 0.02 0.00 0.00 55.36 55.25 1qa0 s GLN 69 Cb -0.10 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.71 1qa0 s GLN 69 CO 0.16 -0.25 0.10 -0.06 -2.12 0.00 0.00 175.29 173.12 1qa0 s PHE 70 N 1.46 3.13 -0.07 0.91 2.99 -1.26 -0.43 117.98 124.71 1qa0 s PHE 70 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 56.93 56.36 1qa0 s PHE 70 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 43.02 40.63 1qa0 s PHE 70 CO -0.11 -0.45 -0.12 0.42 -0.00 0.00 0.00 175.22 174.96 1qa0 s ILE 71 N 1.58 1.12 0.53 0.64 1.01 0.58 -4.97 121.20 121.69 1qa0 s ILE 71 Ca 0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 1qa0 s ILE 71 Cb -0.16 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.21 1qa0 s ILE 71 CO 0.04 0.35 1.16 -0.44 0.00 0.00 0.00 174.94 176.06 1qa0 s SER 72 N 0.75 5.75 0.11 3.58 0.01 -1.26 -0.26 113.70 122.38 1qa0 s SER 72 Ca -0.13 2.27 -0.25 0.00 1.31 0.00 0.00 55.95 59.15 1qa0 s SER 72 Cb -0.16 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 1qa0 s SER 72 CO 0.03 -1.20 0.77 0.00 0.41 0.00 0.00 173.24 173.24 1qa0 s ALA 73 N -1.66 3.42 -0.17 1.44 0.00 -0.96 -0.35 121.76 123.48 1qa0 s ALA 73 Ca 0.71 0.32 0.06 0.00 0.00 0.00 0.00 51.96 53.05 1qa0 s ALA 73 Cb -0.27 -2.97 -0.22 0.00 0.00 0.00 0.00 23.12 19.66 1qa0 s ALA 73 CO 0.31 0.19 0.16 -1.13 0.00 0.00 0.00 175.76 175.29 1qa0 n SER 74 N 2.14 1.32 -3.76 0.00 3.41 0.81 -4.73 113.62 112.81 1qa0 n SER 74 Ca -0.04 0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1qa0 n SER 74 Cb 0.49 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1qa0 n SER 74 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qa0 s LYS 75 N -2.54 0.45 -0.05 4.33 2.20 -1.23 -5.03 119.74 117.88 1qa0 s LYS 75 Ca -0.20 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1qa0 s LYS 75 Cb 0.07 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1qa0 s LYS 75 CO 0.74 -0.08 -0.12 -1.12 -0.36 0.00 0.00 175.35 174.41 1qa0 s SER 76 N -0.14 1.71 -0.29 1.43 0.01 -1.26 -0.98 113.70 114.18 1qa0 s SER 76 Ca -0.03 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1qa0 s SER 76 Cb -0.03 -0.64 0.09 0.00 0.21 0.00 0.00 66.02 65.65 1qa0 s SER 76 CO 0.01 0.07 0.03 -0.63 0.41 0.00 0.00 173.24 173.13 1qa0 s ILE 77 N 0.40 1.55 0.34 1.44 1.01 0.07 -5.01 121.20 121.00 1qa0 s ILE 77 Ca -0.09 -1.65 -0.22 0.00 0.00 0.00 0.00 60.65 58.69 1qa0 s ILE 77 Cb -0.13 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.20 1qa0 s ILE 77 CO 0.02 -0.46 0.88 -0.69 0.00 0.00 0.00 174.94 174.70 1qa0 s VAL 78 N 1.31 4.39 0.24 2.92 1.01 -1.26 -1.69 120.40 127.32 1qa0 s VAL 78 Ca 0.05 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 1qa0 s VAL 78 Cb -0.18 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 1qa0 s VAL 78 CO -0.13 -0.04 1.51 1.57 0.00 0.00 0.00 175.10 178.01 1qa0 n HIS 79 N 0.07 2.43 0.02 5.22 -0.00 -0.96 -4.85 115.22 117.16 1qa0 n HIS 79 Ca 0.03 0.33 0.22 0.00 0.46 0.00 0.00 57.72 58.76 1qa0 n HIS 79 Cb 0.52 -2.53 0.72 0.00 -0.12 0.00 0.00 29.99 28.58 1qa0 n HIS 79 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1qa0 h PRO 80 N 4.79 0.00 -0.28 1.57 0.13 -1.93 -2.10 132.00 134.17 1qa0 h PRO 80 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qa0 h PRO 80 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qa0 h PRO 80 CO 0.80 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.00 1qa0 n SER 81 N -3.81 3.96 -4.72 1.44 7.64 -1.26 -5.02 113.62 111.85 1qa0 n SER 81 Ca 0.10 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.59 1qa0 n SER 81 Cb 0.74 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1qa0 n SER 81 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qa0 s TYR 82 N -2.76 2.89 -0.31 1.43 6.14 -0.79 -4.70 117.35 119.25 1qa0 s TYR 82 Ca 0.42 0.37 0.03 0.00 0.64 0.00 0.00 57.07 58.54 1qa0 s TYR 82 Cb 0.34 -4.14 0.08 0.00 0.42 0.00 0.00 41.96 38.66 1qa0 s TYR 82 CO 0.10 -4.29 -0.01 1.21 0.64 0.00 0.00 175.55 173.19 1qa0 s ASN 83 N 1.12 4.61 0.65 4.32 3.84 -0.59 -4.98 114.94 123.90 1qa0 s ASN 83 Ca 0.74 -1.83 0.42 0.00 0.21 0.00 0.00 52.86 52.39 1qa0 s ASN 83 Cb -0.50 -1.57 2.25 0.00 -0.55 0.00 0.00 41.25 40.88 1qa0 s ASN 83 CO 0.33 -0.30 2.32 0.77 -2.79 0.00 0.00 177.10 177.43 1qa0 h SER 84 N 7.69 0.00 0.55 -4.21 4.64 -1.93 0.23 113.55 120.52 1qa0 h SER 84 Ca -0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.93 1qa0 h SER 84 Cb 1.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1qa0 h SER 84 CO 0.49 0.00 -1.31 0.78 -0.87 0.00 0.00 176.83 175.92 1qa0 h ASN 85 N 0.00 0.50 0.00 4.97 -0.26 -1.96 -3.36 115.58 115.47 1qa0 h ASN 85 Ca -0.00 -0.54 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1qa0 h ASN 85 Cb 0.05 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1qa0 h ASN 85 CO 0.00 1.43 -1.31 0.35 -1.06 0.00 0.00 177.43 176.84 1qa0 n THR 86 N -3.56 0.00 -1.08 2.81 -2.24 -1.02 -4.98 114.28 104.21 1qa0 n THR 86 Ca -0.11 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1qa0 n THR 86 Cb 1.04 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1qa0 n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qa0 n LEU 87 N -1.77 -0.01 -4.73 3.22 4.77 0.79 -4.99 117.00 114.28 1qa0 n LEU 87 Ca -0.01 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1qa0 n LEU 87 Cb 0.33 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1qa0 n LEU 87 CO 0.31 -0.34 1.08 0.21 -1.33 0.00 0.00 177.39 177.32 1qa0 s ASN 88 N -2.38 6.75 -0.85 -1.43 2.47 -1.21 -2.88 114.94 115.41 1qa0 s ASN 88 Ca 0.00 2.51 -0.01 0.00 0.42 0.00 0.00 52.86 55.78 1qa0 s ASN 88 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1qa0 s ASN 88 CO 0.00 -0.66 0.71 0.59 -3.72 0.00 0.00 177.10 174.02 1qa0 n ASN 89 N 3.02 -2.60 -4.51 -4.21 4.13 -1.26 -1.54 115.26 108.28 1qa0 n ASN 89 Ca 0.09 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.50 1qa0 n ASN 89 Cb 0.41 -3.68 0.00 0.00 -1.54 0.00 0.00 39.78 34.97 1qa0 n ASN 89 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qa0 n ASP 90 N -2.31 5.03 -3.75 6.41 2.03 -1.14 -4.29 116.55 118.53 1qa0 n ASP 90 Ca -0.16 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 1qa0 n ASP 90 Cb 0.60 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 1qa0 n ASP 90 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qa0 s ILE 91 N 3.18 0.01 0.04 5.18 2.07 -1.26 -3.87 121.20 126.55 1qa0 s ILE 91 Ca 0.50 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.55 1qa0 s ILE 91 Cb 0.02 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1qa0 s ILE 91 CO 0.05 -0.04 0.23 -0.32 -1.91 0.00 0.00 174.94 172.94 1qa0 s MET 92 N -0.07 0.72 -0.08 3.50 -2.45 -0.51 -2.25 119.30 118.16 1qa0 s MET 92 Ca -0.02 -0.58 0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1qa0 s MET 92 Cb -0.03 0.30 -0.01 0.00 1.25 0.00 0.00 34.83 36.34 1qa0 s MET 92 CO 0.01 -0.21 -0.19 -0.51 1.05 0.00 0.00 175.02 175.17 1qa0 s LEU 93 N -2.04 2.43 -0.16 4.11 1.43 -0.68 -0.83 118.68 122.93 1qa0 s LEU 93 Ca -0.05 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1qa0 s LEU 93 Cb -0.01 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.74 1qa0 s LEU 93 CO -0.03 0.24 -0.17 -0.63 0.23 0.00 0.00 176.35 175.99 1qa0 s ILE 94 N -0.12 1.76 -0.12 -0.59 1.01 0.07 -0.75 121.20 122.46 1qa0 s ILE 94 Ca -0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1qa0 s ILE 94 Cb -0.14 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1qa0 s ILE 94 CO 0.04 0.49 0.26 -0.75 0.00 0.00 0.00 174.94 174.98 1qa0 s LYS 95 N 1.36 3.98 0.24 2.79 2.20 -0.15 -0.67 119.74 129.48 1qa0 s LYS 95 Ca 0.04 0.07 -0.25 0.00 -0.36 0.00 0.00 55.97 55.47 1qa0 s LYS 95 Cb -0.13 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1qa0 s LYS 95 CO -0.11 0.47 0.83 -0.51 -0.36 0.00 0.00 175.35 175.68 1qa0 s LEU 96 N -0.23 4.46 0.32 5.43 1.43 0.44 -0.13 118.68 130.39 1qa0 s LEU 96 Ca 0.17 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 1qa0 s LEU 96 Cb -0.13 -3.63 0.65 0.00 0.03 0.00 0.00 46.19 43.11 1qa0 s LEU 96 CO 0.05 0.07 1.89 0.11 0.23 0.00 0.00 176.35 178.71 1qa0 h LYS 97 N 3.71 0.86 -3.79 1.70 6.56 -0.98 -3.43 116.57 121.19 1qa0 h LYS 97 Ca -0.47 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 58.94 1qa0 h LYS 97 Cb 1.20 -0.19 -0.18 0.00 -0.57 0.00 0.00 32.23 32.48 1qa0 h LYS 97 CO 0.66 0.57 -0.53 -1.54 -2.06 0.00 0.00 179.45 176.54 1qa0 s SER 98 N -5.92 0.17 0.39 0.86 1.04 -1.26 -5.00 113.70 103.99 1qa0 s SER 98 Ca -0.11 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 55.54 1qa0 s SER 98 Cb 0.21 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1qa0 s SER 98 CO 0.79 -0.49 1.36 0.00 0.98 0.00 0.00 173.24 175.89 1qa0 s ALA 99 N -2.48 3.36 0.50 5.32 0.00 -1.26 -4.91 121.76 122.29 1qa0 s ALA 99 Ca -0.06 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 1qa0 s ALA 99 Cb -0.02 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1qa0 s ALA 99 CO -0.04 -0.91 1.00 0.00 0.00 0.00 0.00 175.76 175.81 1qa0 s ALA 100 N -1.20 2.97 -0.31 0.00 0.00 0.42 -5.02 121.76 118.62 1qa0 s ALA 100 Ca 0.55 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 1qa0 s ALA 100 Cb -0.41 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1qa0 s ALA 100 CO 0.54 -0.23 0.59 -1.12 0.00 0.00 0.00 175.76 175.54 1qa0 s SER 101 N -2.53 6.45 0.22 0.00 0.01 -1.26 -4.86 113.70 111.73 1qa0 s SER 101 Ca 0.62 0.35 -0.28 0.00 1.31 0.00 0.00 55.95 57.95 1qa0 s SER 101 Cb -0.12 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1qa0 s SER 101 CO 0.24 -0.45 0.89 -0.76 0.41 0.00 0.00 173.24 173.57 1qa0 s LEU 102 N 2.53 4.61 0.00 2.44 1.43 -1.26 -4.82 118.68 123.61 1qa0 s LEU 102 Ca 0.23 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1qa0 s LEU 102 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1qa0 s LEU 102 CO 0.12 0.16 0.00 -0.46 0.23 0.00 0.00 176.35 176.40 1qa0 n ASN 103 N 1.46 0.00 0.19 2.29 0.23 0.30 -5.00 115.26 114.74 1qa0 n ASN 103 Ca -0.03 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.07 1qa0 n ASN 103 Cb 0.48 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.57 1qa0 n ASN 103 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1qa0 h SER 104 N 0.00 0.00 0.00 0.53 4.64 -2.00 -3.31 113.55 113.41 1qa0 h SER 104 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1qa0 h SER 104 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qa0 h SER 104 CO 0.00 0.36 -2.00 0.54 -0.87 0.00 0.00 176.83 174.86 1qa0 n ARG 105 N -3.75 0.65 -4.01 4.77 1.74 -1.26 -4.85 116.66 109.95 1qa0 n ARG 105 Ca -0.01 -0.19 -0.31 0.00 -0.77 0.00 0.00 57.85 56.57 1qa0 n ARG 105 Cb 0.44 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1qa0 n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qa0 s VAL 106 N -3.46 1.92 0.07 1.55 1.01 -1.25 -4.37 120.40 115.87 1qa0 s VAL 106 Ca -0.08 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.28 1qa0 s VAL 106 Cb 0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1qa0 s VAL 106 CO 0.89 -0.14 0.10 0.00 0.00 0.00 0.00 175.10 175.94 1qa0 s ALA 107 N 1.20 0.09 0.31 5.51 0.00 -0.74 -0.54 121.76 127.58 1qa0 s ALA 107 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1qa0 s ALA 107 Cb -0.19 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1qa0 s ALA 107 CO -0.06 -0.45 0.47 -1.54 0.00 0.00 0.00 175.76 174.17 1qa0 s SER 108 N -2.89 6.24 -0.05 0.00 1.04 -1.26 -3.20 113.70 113.57 1qa0 s SER 108 Ca 0.06 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1qa0 s SER 108 Cb 0.06 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 1qa0 s SER 108 CO -0.11 -0.24 -0.08 -0.51 0.98 0.00 0.00 173.24 173.28 1qa0 s ILE 109 N -2.17 3.61 0.47 -1.02 1.10 0.20 -4.89 121.20 118.50 1qa0 s ILE 109 Ca 0.38 -0.57 -0.07 0.00 -0.51 0.00 0.00 60.65 59.89 1qa0 s ILE 109 Cb -0.09 -2.48 -0.05 0.00 0.15 0.00 0.00 42.46 39.99 1qa0 s ILE 109 CO 0.33 0.56 0.80 -0.94 -2.11 0.00 0.00 174.94 173.58 1qa0 s SER 110 N -0.91 6.34 0.36 4.50 1.04 -1.26 -4.53 113.70 119.24 1qa0 s SER 110 Ca 0.13 1.04 -0.19 0.00 0.48 0.00 0.00 55.95 57.41 1qa0 s SER 110 Cb -0.11 -2.29 -0.10 0.00 0.10 0.00 0.00 66.02 63.62 1qa0 s SER 110 CO 0.02 -0.55 0.85 -0.76 0.98 0.00 0.00 173.24 173.78 1qa0 s LEU 111 N -4.51 4.05 0.51 2.42 1.43 -1.26 -1.31 118.68 120.01 1qa0 s LEU 111 Ca 0.49 1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1qa0 s LEU 111 Cb -0.10 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 1qa0 s LEU 111 CO 0.42 -0.24 1.12 -2.16 0.23 0.00 0.00 176.35 175.71 1qa0 s PRO 112 N -2.91 3.57 0.00 1.29 0.04 -1.26 -4.81 135.00 130.92 1qa0 s PRO 112 Ca 0.56 1.60 0.22 0.00 0.04 0.00 0.00 61.00 63.42 1qa0 s PRO 112 Cb -0.11 -2.14 -0.19 0.00 0.04 0.00 0.00 34.50 32.09 1qa0 s PRO 112 CO 0.16 -0.67 0.78 0.25 0.04 0.00 0.00 177.00 177.57 1qa0 n THR 113 N -0.98 0.05 -3.67 1.26 -2.24 -1.26 -4.98 114.28 102.46 1qa0 n THR 113 Ca 0.10 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1qa0 n THR 113 Cb 0.50 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1qa0 n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qa0 s SER 114 N -3.82 -0.34 0.30 3.42 1.04 -1.26 -5.17 113.70 107.87 1qa0 s SER 114 Ca 0.01 -0.37 -0.28 0.00 0.48 0.00 0.00 55.95 55.79 1qa0 s SER 114 Cb 0.15 0.61 -0.09 0.00 0.10 0.00 0.00 66.02 66.78 1qa0 s SER 114 CO 0.87 -1.08 1.01 0.00 0.98 0.00 0.00 173.24 175.01 1qa0 s ALA 116 N -1.37 3.28 0.33 0.00 0.00 -1.26 -5.07 121.76 117.66 1qa0 s ALA 116 Ca 0.47 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1qa0 s ALA 116 Cb -0.25 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1qa0 s ALA 116 CO 0.32 0.27 0.55 -1.54 0.00 0.00 0.00 175.76 175.35 1qa0 s SER 117 N -1.96 6.33 0.53 0.00 1.04 -1.26 -5.03 113.70 113.35 1qa0 s SER 117 Ca 0.52 0.52 -0.20 0.00 0.48 0.00 0.00 55.95 57.26 1qa0 s SER 117 Cb -0.13 -2.06 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 1qa0 s SER 117 CO 0.19 -0.27 0.89 0.00 0.98 0.00 0.00 173.24 175.03 1qa0 n ALA 118 N -1.58 -0.07 0.00 5.32 0.00 -1.26 -2.04 120.51 120.88 1qa0 n ALA 118 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1qa0 n ALA 118 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1qa0 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qa0 n GLY 119 N 1.35 2.48 3.73 0.00 0.00 0.18 -4.95 105.19 107.98 1qa0 n GLY 119 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qa0 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa0 s THR 120 N -2.26 3.10 0.14 2.61 2.01 -0.87 -4.66 115.64 115.72 1qa0 s THR 120 Ca 0.00 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1qa0 s THR 120 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1qa0 s THR 120 CO 0.00 0.10 0.98 -1.58 -0.69 0.00 0.00 174.62 173.43 1qa0 s GLN 121 N 0.35 4.71 0.20 4.92 2.00 -1.26 -1.05 119.66 129.52 1qa0 s GLN 121 Ca 0.61 1.50 0.05 0.00 -2.00 0.00 0.00 55.36 55.51 1qa0 s GLN 121 Cb -0.38 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 30.03 1qa0 s GLN 121 CO 0.36 0.24 -0.06 0.00 -0.50 0.00 0.00 175.29 175.32 1qa0 s LEU 123 N -3.27 2.83 -0.11 0.00 2.96 -0.01 -0.37 118.68 120.72 1qa0 s LEU 123 Ca 0.23 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1qa0 s LEU 123 Cb 0.03 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1qa0 s LEU 123 CO 0.06 0.03 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.35 1qa0 s ILE 124 N 1.16 3.01 0.06 6.68 1.01 0.13 -1.12 121.20 132.13 1qa0 s ILE 124 Ca 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1qa0 s ILE 124 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1qa0 s ILE 124 CO -0.02 0.54 -0.06 -0.94 0.00 0.00 0.00 174.94 174.46 1qa0 s SER 125 N 0.05 0.87 0.00 3.58 1.04 -1.21 -0.69 113.70 117.35 1qa0 s SER 125 Ca -0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1qa0 s SER 125 Cb -0.15 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1qa0 s SER 125 CO 0.04 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1qa0 n GLY 126 N 0.70 0.20 1.31 7.32 0.00 -0.83 -4.40 105.19 109.49 1qa0 n GLY 126 Ca -0.18 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1qa0 n GLY 126 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qa0 n TRP 127 N -0.55 1.46 -2.15 1.61 8.01 -1.26 -1.50 117.44 123.07 1qa0 n TRP 127 Ca 0.00 -1.15 -0.28 0.00 -1.31 0.00 0.00 57.50 54.76 1qa0 n TRP 127 Cb 0.00 -0.48 0.18 0.00 -2.01 0.00 0.00 31.31 29.01 1qa0 n TRP 127 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qa0 s GLY 128 N -1.79 1.80 0.26 6.99 0.00 -1.24 -4.36 107.32 108.98 1qa0 s GLY 128 Ca 0.47 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1qa0 s GLY 128 CO 0.08 -0.73 1.14 -2.01 0.00 0.00 0.00 173.10 171.58 1qa0 n ASN 129 N -3.59 1.68 -0.75 1.64 5.15 0.83 -2.97 115.26 117.25 1qa0 n ASN 129 Ca 0.17 1.17 0.10 0.00 -0.60 0.00 0.00 54.58 55.42 1qa0 n ASN 129 Cb 0.60 -1.31 0.07 0.00 -0.53 0.00 0.00 39.78 38.60 1qa0 n ASN 129 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1qa0 n THR 130 N 0.81 0.00 -3.97 -0.44 -2.24 -0.15 -0.65 114.28 107.64 1qa0 n THR 130 Ca 0.11 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 1qa0 n THR 130 Cb 0.30 1.39 -0.08 0.00 -2.10 0.00 0.00 70.33 69.85 1qa0 n THR 130 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qa0 s LYS 131 N -1.81 3.60 0.01 -0.78 -0.14 -1.26 -4.44 119.74 114.92 1qa0 s LYS 131 Ca 0.22 -0.24 -0.05 0.00 -1.36 0.00 0.00 55.97 54.54 1qa0 s LYS 131 Cb 0.17 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 1qa0 s LYS 131 CO 0.30 0.58 1.05 1.03 -0.76 0.00 0.00 175.35 177.55 1qa0 h SER 132 N 5.67 -0.15 -3.34 2.83 0.87 -1.93 -3.39 113.55 114.10 1qa0 h SER 132 Ca -0.48 0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 59.48 1qa0 h SER 132 Cb 1.20 0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 62.79 1qa0 h SER 132 CO 0.63 -0.11 -0.74 -0.55 -0.53 0.00 0.00 176.83 175.53 1qa0 s SER 133 N -2.30 4.12 0.00 6.23 0.15 -1.26 -4.49 113.70 116.15 1qa0 s SER 133 Ca -0.03 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.69 1qa0 s SER 133 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 1qa0 s SER 133 CO 0.08 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1qa0 n GLY 134 N 4.47 -1.99 2.71 9.45 0.00 -1.26 -5.14 105.19 113.44 1qa0 n GLY 134 Ca 0.01 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1qa0 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa0 s THR 135 N -2.48 0.15 -0.23 2.61 2.01 -1.26 -4.62 115.64 111.82 1qa0 s THR 135 Ca 0.00 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1qa0 s THR 135 Cb 0.00 -0.42 0.11 0.00 0.01 0.00 0.00 72.50 72.20 1qa0 s THR 135 CO 0.00 0.14 0.29 -0.55 -0.69 0.00 0.00 174.62 173.81 1qa0 s SER 136 N 2.06 0.99 -0.19 3.53 0.15 -1.26 -5.00 113.70 113.98 1qa0 s SER 136 Ca 0.04 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 1qa0 s SER 136 Cb -0.13 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1qa0 s SER 136 CO -0.05 -0.32 0.22 -0.31 1.20 0.00 0.00 173.24 173.98 1qa0 s TYR 137 N 2.41 3.41 0.64 3.44 2.02 -1.26 -0.98 117.35 127.04 1qa0 s TYR 137 Ca 0.09 0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.14 1qa0 s TYR 137 Cb -0.15 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1qa0 s TYR 137 CO -0.16 0.21 1.02 -1.25 -1.57 0.00 0.00 175.55 173.81 1qa0 s PRO 138 N 0.59 3.18 -0.04 -1.71 0.04 -1.26 -4.98 135.00 130.81 1qa0 s PRO 138 Ca 0.12 0.48 0.16 0.00 0.04 0.00 0.00 61.00 61.81 1qa0 s PRO 138 Cb -0.12 -2.10 -0.25 0.00 0.04 0.00 0.00 34.50 32.07 1qa0 s PRO 138 CO 0.02 -0.76 0.32 -0.25 0.04 0.00 0.00 177.00 176.36 1qa0 n ASP 139 N -2.80 1.20 -4.86 6.66 8.00 -1.26 -4.90 116.55 118.58 1qa0 n ASP 139 Ca 0.06 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 1qa0 n ASP 139 Cb 0.56 1.63 -0.05 0.00 -0.02 0.00 0.00 41.12 43.24 1qa0 n ASP 139 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qa0 s VAL 140 N -3.04 4.95 0.13 2.53 -7.23 -1.26 -0.96 120.40 115.53 1qa0 s VAL 140 Ca -0.06 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 1qa0 s VAL 140 Cb 0.10 -3.48 -0.09 0.00 0.56 0.00 0.00 36.38 33.47 1qa0 s VAL 140 CO 0.68 0.01 1.48 -0.22 -0.31 0.00 0.00 175.10 176.74 1qa0 s LEU 141 N -2.84 4.37 0.05 1.32 0.20 -1.22 -4.79 118.68 115.78 1qa0 s LEU 141 Ca 0.33 2.46 0.03 0.00 0.69 0.00 0.00 54.13 57.64 1qa0 s LEU 141 Cb -0.12 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 1qa0 s LEU 141 CO 0.26 -0.74 0.02 -0.54 -0.29 0.00 0.00 176.35 175.06 1qa0 s LYS 142 N 1.19 2.73 0.17 1.98 -0.14 -0.56 -2.10 119.74 123.00 1qa0 s LYS 142 Ca 0.67 -0.72 0.08 0.00 -1.36 0.00 0.00 55.97 54.65 1qa0 s LYS 142 Cb -0.40 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.07 1qa0 s LYS 142 CO 0.31 0.58 -0.17 0.00 -0.76 0.00 0.00 175.35 175.30 1qa0 s LEU 144 N -2.74 -0.68 -0.16 0.00 2.96 0.14 -0.87 118.68 117.32 1qa0 s LEU 144 Ca 0.16 1.13 -0.20 0.00 -0.22 0.00 0.00 54.13 55.00 1qa0 s LEU 144 Cb -0.05 1.62 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 1qa0 s LEU 144 CO 0.06 -0.22 0.56 -0.54 -1.32 0.00 0.00 176.35 174.89 1qa0 s LYS 145 N 2.40 4.27 -0.04 1.98 1.02 -1.26 -0.69 119.74 127.42 1qa0 s LYS 145 Ca -0.04 0.54 -0.11 0.00 0.02 0.00 0.00 55.97 56.38 1qa0 s LYS 145 Cb -0.11 -3.52 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1qa0 s LYS 145 CO -0.15 -0.06 0.26 0.00 -0.92 0.00 0.00 175.35 174.48 1qa0 s ALA 146 N 1.33 -0.64 0.30 5.17 0.00 0.51 -4.95 121.76 123.47 1qa0 s ALA 146 Ca 0.28 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1qa0 s ALA 146 Cb -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1qa0 s ALA 146 CO 0.11 -0.21 0.61 -1.25 0.00 0.00 0.00 175.76 175.03 1qa0 s PRO 147 N -0.86 3.76 0.17 0.00 0.04 -1.26 0.51 135.00 137.37 1qa0 s PRO 147 Ca -0.09 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 1qa0 s PRO 147 Cb -0.05 -2.57 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1qa0 s PRO 147 CO 0.02 0.19 1.17 0.42 0.04 0.00 0.00 177.00 178.85 1qa0 s ILE 148 N -2.04 3.67 0.49 0.56 1.01 -0.21 -1.98 121.20 122.70 1qa0 s ILE 148 Ca 0.48 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1qa0 s ILE 148 Cb -0.11 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1qa0 s ILE 148 CO 0.26 0.22 0.71 -0.76 0.00 0.00 0.00 174.94 175.37 1qa0 s LEU 149 N -0.17 3.51 0.52 2.97 1.43 0.16 -0.65 118.68 126.45 1qa0 s LEU 149 Ca 0.52 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 1qa0 s LEU 149 Cb -0.32 -3.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1qa0 s LEU 149 CO 0.36 -0.85 1.12 -0.94 0.23 0.00 0.00 176.35 176.26 1qa0 s SER 150 N -4.28 5.92 0.20 2.29 1.04 -1.26 -4.68 113.70 112.92 1qa0 s SER 150 Ca 0.51 2.15 -0.11 0.00 0.48 0.00 0.00 55.95 58.98 1qa0 s SER 150 Cb -0.10 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.68 1qa0 s SER 150 CO 0.38 -1.08 1.72 0.44 0.98 0.00 0.00 173.24 175.68 1qa0 h ASP 151 N 1.41 0.06 -0.79 7.02 3.32 -1.97 -1.90 116.42 123.58 1qa0 h ASP 151 Ca -0.50 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1qa0 h ASP 151 Cb 1.25 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 1qa0 h ASP 151 CO 0.58 0.05 0.38 0.77 -1.72 0.00 0.00 179.24 179.30 1qa0 h SER 152 N 0.29 1.03 0.75 6.45 4.64 -1.99 -1.68 113.55 123.04 1qa0 h SER 152 Ca 0.28 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1qa0 h SER 152 Cb 0.38 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1qa0 h SER 152 CO -0.34 0.88 -0.46 0.77 -0.87 0.00 0.00 176.83 176.81 1qa0 h SER 153 N 1.12 0.00 -0.10 4.97 4.64 -1.76 -1.61 113.55 120.80 1qa0 h SER 153 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1qa0 h SER 153 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1qa0 h SER 153 CO -0.03 0.46 -0.01 0.00 -0.87 0.00 0.00 176.83 176.38 1qa0 h LYS 155 N -0.10 0.00 -0.20 0.00 1.57 -1.36 -2.32 116.57 114.16 1qa0 h LYS 155 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1qa0 h LYS 155 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1qa0 h LYS 155 CO 0.01 0.37 -0.55 0.77 -0.57 0.00 0.00 179.45 179.48 1qa0 h SER 156 N 0.00 0.67 0.33 0.86 0.02 -1.25 -2.76 113.55 111.43 1qa0 h SER 156 Ca -0.00 -0.36 -0.17 0.00 -0.84 0.00 0.00 61.79 60.42 1qa0 h SER 156 Cb 0.79 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1qa0 h SER 156 CO 0.05 1.08 -0.69 0.00 -1.14 0.00 0.00 176.83 176.13 1qa0 h ALA 157 N 0.93 0.70 -2.25 3.77 0.00 -1.18 -3.37 119.26 117.85 1qa0 h ALA 157 Ca 0.01 -0.59 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 1qa0 h ALA 157 Cb 1.10 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1qa0 h ALA 157 CO 0.11 0.77 -0.87 0.66 0.00 0.00 0.00 179.25 179.91 1qa0 n TYR 158 N -3.83 1.16 -1.70 0.00 4.02 -0.90 -4.98 117.16 110.93 1qa0 n TYR 158 Ca -0.03 -3.78 -0.43 0.00 -0.01 0.00 0.00 57.90 53.64 1qa0 n TYR 158 Cb 0.68 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 1qa0 n TYR 158 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1qa0 n PRO 159 N 1.56 2.64 -0.95 -0.72 -0.02 -1.05 -1.85 135.00 134.61 1qa0 n PRO 159 Ca 0.25 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1qa0 n PRO 159 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1qa0 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qa0 n GLY 160 N 3.93 0.26 0.01 -1.23 0.00 -1.26 -4.86 105.19 102.03 1qa0 n GLY 160 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1qa0 n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qa0 n GLN 161 N -0.96 0.48 -3.06 1.61 6.02 -0.77 -4.98 117.38 115.72 1qa0 n GLN 161 Ca 0.00 -0.13 -0.40 0.00 -0.01 0.00 0.00 57.00 56.46 1qa0 n GLN 161 Cb 0.23 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 1qa0 n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qa0 s ILE 162 N -3.01 4.99 0.51 5.09 -1.09 -1.24 -5.02 121.20 121.44 1qa0 s ILE 162 Ca -0.05 1.32 0.08 0.00 -2.23 0.00 0.00 60.65 59.77 1qa0 s ILE 162 Cb 0.09 -4.00 0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1qa0 s ILE 162 CO 0.61 0.11 0.61 0.42 -1.23 0.00 0.00 174.94 175.46 1qa0 s THR 163 N 1.82 2.30 -1.39 2.92 -4.23 -1.26 -5.00 115.64 110.80 1qa0 s THR 163 Ca 0.32 -1.15 0.19 0.00 -1.18 0.00 0.00 61.69 59.87 1qa0 s THR 163 Cb -0.16 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.55 1qa0 s THR 163 CO 0.12 0.00 1.59 -1.54 -0.54 0.00 0.00 174.62 174.24 1qa0 n SER 164 N -1.97 0.00 -1.40 3.99 3.41 -1.26 -2.37 113.62 114.02 1qa0 n SER 164 Ca 0.09 0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.87 1qa0 n SER 164 Cb 0.62 -0.31 0.33 0.00 -0.26 0.00 0.00 64.21 64.59 1qa0 n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qa0 n ASN 165 N -1.31 4.18 -4.15 4.04 3.02 -1.26 -4.92 115.26 114.86 1qa0 n ASN 165 Ca 0.09 -2.15 -0.15 0.00 -0.03 0.00 0.00 54.58 52.34 1qa0 n ASN 165 Cb 0.16 -0.51 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 1qa0 n ASN 165 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qa0 s MET 166 N -1.28 0.78 0.03 3.52 -1.94 -1.00 -1.29 119.30 118.13 1qa0 s MET 166 Ca 0.49 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.40 1qa0 s MET 166 Cb 0.27 -0.58 -0.02 0.00 2.01 0.00 0.00 34.83 36.52 1qa0 s MET 166 CO 0.30 0.11 0.06 -0.59 -0.01 0.00 0.00 175.02 174.89 1qa0 s PHE 167 N -1.92 0.24 0.08 -0.03 -0.12 -0.61 -4.80 117.98 110.82 1qa0 s PHE 167 Ca 0.01 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1qa0 s PHE 167 Cb -0.06 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1qa0 s PHE 167 CO 0.01 -0.34 0.13 0.00 -0.05 0.00 0.00 175.22 174.98 1qa0 s ALA 169 N -1.47 -0.75 0.00 0.00 0.00 -1.11 -0.67 121.76 117.76 1qa0 s ALA 169 Ca 0.31 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1qa0 s ALA 169 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1qa0 s ALA 169 CO 0.24 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1qa0 n GLY 170 N 2.24 0.55 3.03 0.00 0.00 -0.84 -3.19 105.19 106.98 1qa0 n GLY 170 Ca -0.17 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1qa0 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qa0 s TYR 171 N -2.91 1.69 0.15 1.61 1.51 -1.26 -4.33 117.35 113.81 1qa0 s TYR 171 Ca 0.00 -0.71 0.34 0.00 -1.01 0.00 0.00 57.07 55.69 1qa0 s TYR 171 Cb 0.00 -1.24 1.42 0.00 -0.11 0.00 0.00 41.96 42.04 1qa0 s TYR 171 CO 0.00 -0.37 2.01 -0.07 -1.11 0.00 0.00 175.55 176.01 1qa0 h LEU 172 N 7.21 0.00 -0.01 -1.29 3.38 -1.95 -1.68 115.31 120.97 1qa0 h LEU 172 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1qa0 h LEU 172 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1qa0 h LEU 172 CO 0.47 0.02 0.00 -1.84 0.09 0.00 0.00 178.44 177.18 1qa0 n GLU 173 N -3.12 0.02 0.00 1.13 0.00 -1.26 0.45 120.64 117.86 1qa0 n GLU 173 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1qa0 n GLU 173 Cb 0.29 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1qa0 n GLU 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qa0 n GLY 174 N 1.03 -1.89 3.67 -1.84 0.00 -0.63 -4.51 105.19 101.01 1qa0 n GLY 174 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1qa0 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa0 n GLY 175 N 0.00 2.73 2.92 -0.02 0.00 0.35 -4.84 105.19 106.33 1qa0 n GLY 175 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1qa0 n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa0 s LYS 176 N 0.00 0.09 0.16 1.61 -2.85 -1.26 -3.90 119.74 113.59 1qa0 s LYS 176 Ca 0.00 0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 55.32 1qa0 s LYS 176 Cb 0.00 -0.18 0.08 0.00 -2.06 0.00 0.00 37.83 35.67 1qa0 s LYS 176 CO 0.00 -0.27 1.06 0.34 0.10 0.00 0.00 175.35 176.58 1qa0 s ASP 177 N 2.07 -0.02 0.66 0.03 3.68 -0.67 -4.19 116.67 118.22 1qa0 s ASP 177 Ca -0.00 -0.59 -0.01 0.00 2.13 0.00 0.00 52.55 54.08 1qa0 s ASP 177 Cb -0.12 0.46 0.08 0.00 -1.45 0.00 0.00 42.92 41.89 1qa0 s ASP 177 CO -0.07 -0.90 0.92 -0.94 0.13 0.00 0.00 175.17 174.31 1qa0 s SER 178 N -3.37 4.75 0.33 -0.34 1.04 -1.26 -0.73 113.70 114.12 1qa0 s SER 178 Ca 0.21 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 1qa0 s SER 178 Cb -0.02 -0.50 0.05 0.00 0.10 0.00 0.00 66.02 65.66 1qa0 s SER 178 CO 0.04 -1.56 0.69 0.00 0.98 0.00 0.00 173.24 173.39 1qa0 n GLN 180 N -0.47 1.31 0.00 0.00 1.13 -1.26 -1.54 117.38 116.55 1qa0 n GLN 180 Ca -0.07 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 1qa0 n GLN 180 Cb 0.51 -2.12 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1qa0 n GLN 180 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qa0 n GLY 181 N 2.62 3.21 0.07 1.08 0.00 -1.26 -0.12 105.19 110.79 1qa0 n GLY 181 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1qa0 n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qa0 n ASP 182 N 0.00 0.83 -4.62 1.61 8.00 -0.59 -3.69 116.55 118.09 1qa0 n ASP 182 Ca 0.00 -0.64 -0.45 0.00 0.71 0.00 0.00 54.79 54.41 1qa0 n ASP 182 Cb 0.00 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1qa0 n ASP 182 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qa0 n SER 183 N -1.26 1.75 0.00 -2.24 7.64 -1.26 -2.10 113.62 116.16 1qa0 n SER 183 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1qa0 n SER 183 Cb 0.35 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1qa0 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qa0 n GLY 184 N 1.45 1.07 3.78 0.23 0.00 -0.47 -0.10 105.19 111.16 1qa0 n GLY 184 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1qa0 n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qa0 s GLY 185 N -1.76 1.65 0.28 -0.02 0.00 -0.89 -3.17 107.32 103.40 1qa0 s GLY 185 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1qa0 s GLY 185 CO 0.00 0.43 0.68 2.56 0.00 0.00 0.00 173.10 176.78 1qa0 s PRO 186 N -5.00 4.00 -0.29 2.90 0.04 -1.26 -0.91 135.00 134.48 1qa0 s PRO 186 Ca 0.61 0.61 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1qa0 s PRO 186 Cb -0.16 -2.58 0.08 0.00 0.04 0.00 0.00 34.50 31.89 1qa0 s PRO 186 CO 0.56 0.25 0.02 0.08 0.04 0.00 0.00 177.00 177.94 1qa0 s VAL 187 N -1.84 1.61 -0.19 -0.36 1.01 -0.74 -3.32 120.40 116.57 1qa0 s VAL 187 Ca 0.50 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 1qa0 s VAL 187 Cb -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1qa0 s VAL 187 CO 0.19 -0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.16 1qa0 s VAL 188 N 1.29 3.77 -0.11 2.92 1.01 -0.27 -0.71 120.40 128.29 1qa0 s VAL 188 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1qa0 s VAL 188 Cb -0.18 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1qa0 s VAL 188 CO -0.12 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.34 1qa0 n SER 190 N 4.78 -1.49 -0.45 0.00 7.64 -1.26 -1.83 113.62 121.01 1qa0 n SER 190 Ca -0.14 -1.01 -0.06 0.00 1.01 0.00 0.00 58.87 58.66 1qa0 n SER 190 Cb 0.50 -2.90 -0.03 0.00 -1.01 0.00 0.00 64.21 60.77 1qa0 n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qa0 n GLY 191 N -1.80 0.83 3.18 0.23 0.00 -1.26 -5.04 105.19 101.33 1qa0 n GLY 191 Ca -0.16 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1qa0 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qa0 s LYS 192 N -2.41 0.89 -0.52 1.61 -0.14 -0.76 -4.26 119.74 114.15 1qa0 s LYS 192 Ca 0.00 -0.94 -0.28 0.00 -1.36 0.00 0.00 55.97 53.39 1qa0 s LYS 192 Cb 0.00 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 35.22 1qa0 s LYS 192 CO 0.00 0.21 1.53 -1.17 -0.76 0.00 0.00 175.35 175.16 1qa0 s LEU 193 N -1.63 3.42 -0.07 3.17 2.96 -0.43 -2.11 118.68 123.99 1qa0 s LEU 193 Ca -0.00 0.50 0.19 0.00 -0.22 0.00 0.00 54.13 54.60 1qa0 s LEU 193 Cb -0.10 -3.10 -0.25 0.00 0.50 0.00 0.00 46.19 43.24 1qa0 s LEU 193 CO 0.02 -1.77 0.40 0.00 -1.32 0.00 0.00 176.35 173.68 1qa0 n GLN 194 N 8.63 0.66 -4.05 1.98 1.13 0.11 -4.17 117.38 121.66 1qa0 n GLN 194 Ca 0.15 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 1qa0 n GLN 194 Cb 0.49 -1.59 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 1qa0 n GLN 194 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1qa0 s GLY 195 N -4.96 0.80 -0.05 1.08 0.00 -0.71 -2.08 107.32 101.40 1qa0 s GLY 195 Ca -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1qa0 s GLY 195 CO 0.85 -0.83 -0.12 -0.42 0.00 0.00 0.00 173.10 172.59 1qa0 s ILE 196 N -4.00 1.07 -0.04 0.90 1.01 -1.07 -1.80 121.20 117.27 1qa0 s ILE 196 Ca 0.27 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1qa0 s ILE 196 Cb 0.01 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 1qa0 s ILE 196 CO 0.10 0.33 1.96 -0.69 0.00 0.00 0.00 174.94 176.65 1qa0 s VAL 197 N 0.45 3.12 0.02 2.92 1.01 -0.09 -1.67 120.40 126.16 1qa0 s VAL 197 Ca -0.10 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1qa0 s VAL 197 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1qa0 s VAL 197 CO 0.02 -0.03 -0.05 -0.24 0.00 0.00 0.00 175.10 174.81 1qa0 n SER 198 N 8.43 0.78 -1.98 3.32 2.88 -0.94 -1.36 113.62 124.75 1qa0 n SER 198 Ca 0.22 0.11 -0.06 0.00 -1.33 0.00 0.00 58.87 57.81 1qa0 n SER 198 Cb 0.42 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1qa0 n SER 198 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1qa0 n TRP 199 N -3.23 -1.50 -2.75 0.66 4.27 -0.83 -4.96 117.44 109.11 1qa0 n TRP 199 Ca -0.02 -1.06 0.00 0.00 -3.89 0.00 0.00 57.50 52.53 1qa0 n TRP 199 Cb 0.07 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 1qa0 n TRP 199 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1qa0 n GLY 200 N -0.29 -1.39 3.05 -1.67 0.00 -1.26 -0.54 105.19 103.09 1qa0 n GLY 200 Ca -0.03 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1qa0 n GLY 200 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qa0 s SER 201 N -3.26 4.93 0.41 1.61 0.15 -1.26 -5.00 113.70 111.27 1qa0 s SER 201 Ca 0.00 -2.47 0.00 0.00 0.70 0.00 0.00 55.95 54.18 1qa0 s SER 201 Cb 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1qa0 s SER 201 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1qa0 n GLY 202 N 3.92 -0.71 2.87 9.45 0.00 -1.26 -4.71 105.19 114.75 1qa0 n GLY 202 Ca 0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1qa0 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa0 n ALA 204 N 4.13 -0.26 -1.81 0.00 0.00 -1.26 -4.63 120.51 116.68 1qa0 n ALA 204 Ca -0.26 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1qa0 n ALA 204 Cb 0.52 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1qa0 n ALA 204 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qa0 s GLN 205 N -3.45 4.08 0.27 0.00 -1.52 -1.26 -0.49 119.66 117.28 1qa0 s GLN 205 Ca 0.00 1.25 -0.30 0.00 -1.95 0.00 0.00 55.36 54.36 1qa0 s GLN 205 Cb 0.00 -2.20 -0.10 0.00 -0.22 0.00 0.00 33.01 30.49 1qa0 s GLN 205 CO 0.00 -0.18 1.35 0.21 -0.25 0.00 0.00 175.29 176.43 1qa0 s LYS 206 N -3.11 4.33 -1.90 2.91 2.20 -1.26 -2.58 119.74 120.34 1qa0 s LYS 206 Ca 0.63 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 1qa0 s LYS 206 Cb -0.13 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1qa0 s LYS 206 CO 0.17 -0.28 0.00 0.09 -0.36 0.00 0.00 175.35 174.97 1qa0 n ASN 207 N 1.77 -5.21 -3.39 1.43 3.02 0.17 -4.91 115.26 108.15 1qa0 n ASN 207 Ca 0.04 0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 54.77 1qa0 n ASN 207 Cb 0.41 -4.29 -0.09 0.00 -0.61 0.00 0.00 39.78 35.21 1qa0 n ASN 207 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qa0 n LYS 208 N -2.41 0.94 -1.85 3.52 4.76 -1.06 -4.71 118.16 117.34 1qa0 n LYS 208 Ca -0.18 -3.58 -0.29 0.00 -2.87 0.00 0.00 58.31 51.39 1qa0 n LYS 208 Cb 0.60 -1.66 0.09 0.00 -1.84 0.00 0.00 35.03 32.21 1qa0 n LYS 208 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qa0 s PRO 209 N -0.98 2.04 0.59 1.97 0.04 -1.26 -4.36 135.00 133.04 1qa0 s PRO 209 Ca 0.34 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 1qa0 s PRO 209 Cb 0.09 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1qa0 s PRO 209 CO -0.13 -1.56 1.19 0.20 0.04 0.00 0.00 177.00 176.73 1qa0 s GLY 210 N -4.47 2.69 -0.11 0.56 0.00 -1.19 -4.60 107.32 100.19 1qa0 s GLY 210 Ca 0.61 0.95 0.02 0.00 0.00 0.00 0.00 44.72 46.30 1qa0 s GLY 210 CO 0.50 1.34 -0.18 0.14 0.00 0.00 0.00 173.10 174.90 1qa0 s VAL 211 N -1.66 2.65 0.09 1.40 1.01 0.29 -2.74 120.40 121.44 1qa0 s VAL 211 Ca 0.76 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1qa0 s VAL 211 Cb -0.29 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1qa0 s VAL 211 CO 0.32 0.54 -0.22 -0.31 0.00 0.00 0.00 175.10 175.44 1qa0 s TYR 212 N 0.30 1.86 0.15 5.22 2.02 0.62 -1.97 117.35 125.54 1qa0 s TYR 212 Ca -0.13 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.87 1qa0 s TYR 212 Cb -0.16 -1.05 -0.07 0.00 -0.40 0.00 0.00 41.96 40.28 1qa0 s TYR 212 CO 0.07 0.18 1.12 0.99 -1.57 0.00 0.00 175.55 176.34 1qa0 s THR 213 N -1.03 3.93 -0.89 -0.71 2.01 -0.67 -1.58 115.64 116.71 1qa0 s THR 213 Ca 0.08 1.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 1qa0 s THR 213 Cb -0.10 -4.02 0.14 0.00 0.01 0.00 0.00 72.50 68.53 1qa0 s THR 213 CO 0.04 0.24 1.05 -0.75 -0.69 0.00 0.00 174.62 174.51 1qa0 s LYS 214 N -0.03 3.55 0.37 4.92 2.20 -0.41 -2.60 119.74 127.74 1qa0 s LYS 214 Ca 0.51 -1.77 0.15 0.00 -0.36 0.00 0.00 55.97 54.50 1qa0 s LYS 214 Cb -0.29 -4.79 0.99 0.00 -1.51 0.00 0.00 37.83 32.24 1qa0 s LYS 214 CO 0.34 -1.70 1.79 0.28 -0.36 0.00 0.00 175.35 175.69 1qa0 h VAL 215 N 5.72 0.61 -0.06 4.02 2.07 -1.73 -2.41 116.25 124.46 1qa0 h VAL 215 Ca 0.10 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1qa0 h VAL 215 Cb 1.03 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1qa0 h VAL 215 CO 1.07 0.09 0.10 0.00 0.02 0.00 0.00 177.57 178.85 1qa0 n ASN 217 N -3.57 0.18 -0.11 0.00 3.02 -0.91 -4.03 115.26 109.84 1qa0 n ASN 217 Ca -0.01 0.52 0.01 0.00 -0.03 0.00 0.00 54.58 55.07 1qa0 n ASN 217 Cb 0.19 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1qa0 n ASN 217 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1qa0 n TYR 218 N -1.67 0.04 -0.32 3.10 4.01 -0.22 -4.74 117.16 117.36 1qa0 n TYR 218 Ca 0.06 -0.24 0.01 0.00 -0.16 0.00 0.00 57.90 57.57 1qa0 n TYR 218 Cb 0.32 -0.02 0.15 0.00 -0.31 0.00 0.00 39.34 39.47 1qa0 n TYR 218 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1qa0 h VAL 219 N 0.42 1.05 -0.20 -0.72 2.07 -1.69 0.87 116.25 118.05 1qa0 h VAL 219 Ca 0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1qa0 h VAL 219 Cb 0.31 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1qa0 h VAL 219 CO 0.00 0.18 0.09 0.28 0.02 0.00 0.00 177.57 178.15 1qa0 h SER 220 N 1.01 0.26 -0.32 0.57 0.02 -1.89 0.32 113.55 113.51 1qa0 h SER 220 Ca 0.39 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1qa0 h SER 220 Cb 0.17 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1qa0 h SER 220 CO -0.17 0.32 0.15 -0.25 -1.14 0.00 0.00 176.83 175.74 1qa0 h TRP 221 N 0.19 0.28 -0.01 3.45 7.01 -1.80 0.10 115.95 125.17 1qa0 h TRP 221 Ca 0.07 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1qa0 h TRP 221 Cb 0.13 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1qa0 h TRP 221 CO -0.02 0.15 0.01 0.82 -2.79 0.00 0.00 178.44 176.60 1qa0 h ILE 222 N 0.32 1.08 -0.66 2.65 2.04 -0.62 -0.31 117.51 122.01 1qa0 h ILE 222 Ca 0.14 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1qa0 h ILE 222 Cb 0.06 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1qa0 h ILE 222 CO -0.10 0.06 0.23 0.11 0.00 0.00 0.00 178.15 178.46 1qa0 h LYS 223 N -0.07 1.01 -0.21 2.37 1.57 -0.85 -1.63 116.57 118.75 1qa0 h LYS 223 Ca 0.01 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 1qa0 h LYS 223 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1qa0 h LYS 223 CO -0.00 0.86 -0.44 1.96 -0.57 0.00 0.00 179.45 181.26 1qa0 h GLN 224 N 0.95 0.53 -0.15 3.15 4.20 -0.64 -2.75 115.11 120.40 1qa0 h GLN 224 Ca 0.22 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1qa0 h GLN 224 Cb 0.26 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1qa0 h GLN 224 CO -0.01 0.87 0.01 1.15 -0.67 0.00 0.00 178.83 180.19 1qa0 h THR 225 N 0.43 1.23 -0.73 -0.54 2.02 -0.76 -2.56 112.91 112.00 1qa0 h THR 225 Ca 0.03 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1qa0 h THR 225 Cb 0.95 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1qa0 h THR 225 CO 0.08 0.23 0.43 0.40 0.37 0.00 0.00 175.52 177.03 1qa0 h ILE 226 N 0.02 1.21 0.00 3.11 5.03 -1.36 -2.24 117.51 123.29 1qa0 h ILE 226 Ca 0.05 -0.49 -0.04 0.00 -0.12 0.00 0.00 64.86 64.25 1qa0 h ILE 226 Cb 0.33 0.22 -0.01 0.00 -3.03 0.00 0.00 36.82 34.33 1qa0 h ILE 226 CO 0.00 0.22 -0.21 0.00 -0.68 0.00 0.00 178.15 177.49 1qa0 h ALA 227 N 1.22 1.28 -0.55 1.87 0.00 -1.48 -3.14 119.26 118.46 1qa0 h ALA 227 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qa0 h ALA 227 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qa0 h ALA 227 CO -0.05 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.90 1qa0 n SER 228 N -3.74 3.49 0.00 0.00 7.64 -0.86 -5.11 113.62 115.03 1qa0 n SER 228 Ca -0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1qa0 n SER 228 Cb 0.32 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1qa0 n SER 228 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62