#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxj s TRP 2 N 0.00 0.34 -0.06 0.00 -0.00 0.18 -4.97 118.94 114.43 2vxj s TRP 2 Ca 0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 56.10 56.05 2vxj s TRP 2 Cb 0.00 -0.23 0.02 0.00 -0.00 0.00 0.00 33.47 33.25 2vxj s TRP 2 CO 0.00 -0.01 -0.08 0.21 -0.00 0.00 0.00 176.95 177.06 2vxj s LYS 3 N -0.02 1.33 0.19 5.86 2.20 -1.26 0.16 119.74 128.20 2vxj s LYS 3 Ca 0.01 -0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 2vxj s LYS 3 Cb -0.02 -1.21 0.05 0.00 -1.51 0.00 0.00 37.83 35.13 2vxj s LYS 3 CO -0.00 -0.06 0.65 0.41 -0.36 0.00 0.00 175.35 175.99 2vxj n GLY 4 N 4.08 1.00 3.65 5.54 0.00 -0.29 -5.01 105.19 114.16 2vxj n GLY 4 Ca -0.22 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 2vxj n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vxj s GLU 5 N -2.05 3.65 -0.37 1.61 0.41 -1.26 -0.57 118.70 120.11 2vxj s GLU 5 Ca 0.14 -0.37 -0.08 0.00 -0.41 0.00 0.00 54.97 54.25 2vxj s GLU 5 Cb -0.03 -3.06 0.05 0.00 -1.78 0.00 0.00 34.13 29.31 2vxj s GLU 5 CO 0.06 0.42 0.18 0.08 -0.49 0.00 0.00 175.26 175.50 2vxj s VAL 6 N -0.07 4.06 0.17 2.63 1.01 0.05 -4.94 120.40 123.31 2vxj s VAL 6 Ca 0.05 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 2vxj s VAL 6 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 2vxj s VAL 6 CO 0.01 -0.32 1.34 -0.76 0.00 0.00 0.00 175.10 175.38 2vxj s LEU 7 N 1.43 4.40 0.43 3.92 2.01 -1.26 -1.45 118.68 128.15 2vxj s LEU 7 Ca 0.01 2.38 0.14 0.00 0.01 0.00 0.00 54.13 56.67 2vxj s LEU 7 Cb -0.21 -3.60 0.94 0.00 0.01 0.00 0.00 46.19 43.33 2vxj s LEU 7 CO 0.03 -0.58 1.95 0.00 1.01 0.00 0.00 176.35 178.77 2vxj h ALA 8 N 5.88 1.62 -0.50 4.21 0.00 -1.59 -2.04 119.26 126.84 2vxj h ALA 8 Ca -0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2vxj h ALA 8 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vxj h ALA 8 CO 0.80 0.28 0.00 0.27 0.00 0.00 0.00 179.25 180.61 2vxj n ASN 9 N -4.26 3.38 -4.40 0.00 6.94 -1.26 -4.74 115.26 110.92 2vxj n ASN 9 Ca -0.02 -2.22 -0.45 0.00 -0.02 0.00 0.00 54.58 51.87 2vxj n ASN 9 Cb 0.28 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.24 2vxj n ASN 9 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2vxj s ASN 10 N -0.86 6.81 0.35 0.53 3.84 -0.77 -4.79 114.94 120.06 2vxj s ASN 10 Ca 0.37 -2.57 0.04 0.00 0.21 0.00 0.00 52.86 50.91 2vxj s ASN 10 Cb 0.22 -2.31 0.64 0.00 -0.55 0.00 0.00 41.25 39.25 2vxj s ASN 10 CO 0.20 -0.76 1.94 -0.08 -2.79 0.00 0.00 177.10 175.61 2vxj h GLU 11 N 8.00 0.63 0.00 0.43 4.81 -1.86 -2.20 114.58 124.39 2vxj h GLU 11 Ca 0.16 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2vxj h GLU 11 Cb 0.99 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2vxj h GLU 11 CO 0.99 0.53 -0.43 0.00 -0.73 0.00 0.00 179.01 179.37 2vxj h ALA 12 N 1.56 1.16 0.00 2.92 0.00 -1.97 -3.48 119.26 119.45 2vxj h ALA 12 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2vxj h ALA 12 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2vxj h ALA 12 CO -0.01 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2vxj n GLY 13 N -0.10 1.86 3.58 0.00 0.00 -0.83 -4.95 105.19 104.75 2vxj n GLY 13 Ca -0.01 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2vxj n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vxj s GLN 14 N -2.74 3.84 0.20 1.61 2.00 0.19 -4.92 119.66 119.85 2vxj s GLN 14 Ca 0.00 -0.30 -0.28 0.00 -2.00 0.00 0.00 55.36 52.78 2vxj s GLN 14 Cb 0.00 -3.70 -0.08 0.00 0.80 0.00 0.00 33.01 30.02 2vxj s GLN 14 CO 0.00 -0.29 0.88 0.54 -0.50 0.00 0.00 175.29 175.92 2vxj s VAL 15 N 1.87 4.21 0.40 1.34 0.11 -1.26 -0.25 120.40 126.81 2vxj s VAL 15 Ca 0.09 1.95 0.08 0.00 -2.93 0.00 0.00 61.98 61.17 2vxj s VAL 15 Cb -0.16 -4.26 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 2vxj s VAL 15 CO 0.11 0.49 0.34 0.42 -3.33 0.00 0.00 175.10 173.14 2vxj s THR 16 N -1.07 2.76 -1.62 5.04 -4.23 -0.05 -4.96 115.64 111.52 2vxj s THR 16 Ca 0.40 -1.38 0.26 0.00 -1.18 0.00 0.00 61.69 59.78 2vxj s THR 16 Cb -0.25 -3.02 0.56 0.00 1.34 0.00 0.00 72.50 71.12 2vxj s THR 16 CO 0.30 -0.03 1.90 -1.54 -0.54 0.00 0.00 174.62 174.71 2vxj n SER 17 N -1.49 0.00 -4.64 3.99 3.41 -1.26 -4.64 113.62 108.99 2vxj n SER 17 Ca 0.02 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 2vxj n SER 17 Cb 0.62 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 2vxj n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vxj s ILE 18 N -2.38 4.77 -0.37 -1.33 -1.09 -1.26 -5.00 121.20 114.53 2vxj s ILE 18 Ca 0.30 1.56 -0.14 0.00 -2.23 0.00 0.00 60.65 60.14 2vxj s ILE 18 Cb 0.18 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 2vxj s ILE 18 CO 0.37 -0.18 0.27 -0.63 -1.23 0.00 0.00 174.94 173.54 2vxj s ILE 19 N 3.01 5.27 -0.22 2.92 -1.09 -1.26 -0.77 121.20 129.06 2vxj s ILE 19 Ca 0.37 -0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 2vxj s ILE 19 Cb -0.15 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2vxj s ILE 19 CO 0.09 -0.14 1.30 -0.47 -1.23 0.00 0.00 174.94 174.50 2vxj s TYR 20 N 1.72 2.73 0.15 3.97 5.04 0.18 -4.89 117.35 126.25 2vxj s TYR 20 Ca 0.06 0.91 0.07 0.00 -2.44 0.00 0.00 57.07 55.67 2vxj s TYR 20 Cb -0.18 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.38 2vxj s TYR 20 CO 0.10 -1.80 -0.00 -0.80 -1.34 0.00 0.00 175.55 171.71 2vxj s ASN 21 N 2.46 4.85 0.17 4.32 0.01 -1.26 -1.23 114.94 124.26 2vxj s ASN 21 Ca 0.56 -0.32 -0.33 0.00 -0.71 0.00 0.00 52.86 52.06 2vxj s ASN 21 Cb -0.20 -1.07 -0.15 0.00 0.41 0.00 0.00 41.25 40.24 2vxj s ASN 21 CO 0.19 0.12 1.34 -2.65 -1.51 0.00 0.00 177.10 174.59 2vxj n PRO 22 N 0.11 1.57 0.00 -0.60 -0.02 -1.26 -1.51 135.00 133.29 2vxj n PRO 22 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2vxj n PRO 22 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2vxj n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vxj n GLY 23 N 2.39 3.38 3.77 -1.23 0.00 -1.26 -5.03 105.19 107.21 2vxj n GLY 23 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2vxj n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vxj s ASP 24 N -0.92 6.51 -0.16 1.61 1.01 -0.57 -4.98 116.67 119.18 2vxj s ASP 24 Ca 0.00 2.88 -0.05 0.00 0.71 0.00 0.00 52.55 56.09 2vxj s ASP 24 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2vxj s ASP 24 CO 0.00 -0.76 0.00 -0.69 0.21 0.00 0.00 175.17 173.93 2vxj s VAL 25 N -0.80 4.28 0.13 -1.27 1.01 -1.26 -4.47 120.40 118.01 2vxj s VAL 25 Ca 0.54 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.35 2vxj s VAL 25 Cb -0.44 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2vxj s VAL 25 CO 0.55 0.49 -0.11 0.27 0.00 0.00 0.00 175.10 176.31 2vxj s ILE 26 N 0.23 1.17 -0.03 2.22 -4.36 -0.37 -0.48 121.20 119.59 2vxj s ILE 26 Ca 0.00 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.54 2vxj s ILE 26 Cb -0.13 -1.67 -0.00 0.00 1.25 0.00 0.00 42.46 41.91 2vxj s ILE 26 CO 0.02 -0.62 -0.13 -0.89 0.24 0.00 0.00 174.94 173.56 2vxj s THR 27 N -2.83 1.07 -0.06 8.37 2.01 -0.26 0.19 115.64 124.13 2vxj s THR 27 Ca 0.12 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2vxj s THR 27 Cb -0.01 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.60 2vxj s THR 27 CO 0.01 0.32 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.52 2vxj s ILE 28 N 0.04 0.97 -0.09 1.82 1.01 -0.33 -0.90 121.20 123.71 2vxj s ILE 28 Ca -0.02 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2vxj s ILE 28 Cb -0.09 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2vxj s ILE 28 CO 0.01 0.32 -0.16 -0.69 0.00 0.00 0.00 174.94 174.41 2vxj s VAL 29 N 0.65 1.52 -0.05 2.92 1.01 -0.76 -1.01 120.40 124.67 2vxj s VAL 29 Ca -0.13 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2vxj s VAL 29 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2vxj s VAL 29 CO 0.03 0.44 -0.21 0.00 0.00 0.00 0.00 175.10 175.36 2vxj s ALA 30 N 0.75 1.85 0.05 5.51 0.00 -0.53 -1.21 121.76 128.18 2vxj s ALA 30 Ca -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2vxj s ALA 30 Cb -0.16 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2vxj s ALA 30 CO 0.02 0.34 -0.04 0.00 0.00 0.00 0.00 175.76 176.08 2vxj s ALA 31 N -0.02 0.53 0.00 0.00 0.00 0.33 -4.77 121.76 117.83 2vxj s ALA 31 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2vxj s ALA 31 Cb -0.13 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2vxj s ALA 31 CO 0.03 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2vxj n GLY 32 N 0.49 0.78 2.86 0.00 0.00 -1.26 -0.14 105.19 107.93 2vxj n GLY 32 Ca -0.16 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 2vxj n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vxj s TRP 33 N -1.63 0.60 0.04 1.61 0.52 -1.22 -4.00 118.94 114.85 2vxj s TRP 33 Ca 0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 56.10 55.92 2vxj s TRP 33 Cb 0.00 -0.59 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 2vxj s TRP 33 CO 0.00 -0.18 0.12 0.00 0.02 0.00 0.00 176.95 176.91 2vxj s ALA 34 N 1.04 -0.13 0.01 0.98 0.00 0.22 -3.12 121.76 120.77 2vxj s ALA 34 Ca -0.09 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2vxj s ALA 34 Cb -0.14 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2vxj s ALA 34 CO -0.01 -0.35 -0.14 0.45 0.00 0.00 0.00 175.76 175.71 2vxj s SER 35 N -2.23 1.69 0.00 0.00 0.15 0.52 -0.10 113.70 113.73 2vxj s SER 35 Ca -0.03 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.49 2vxj s SER 35 Cb -0.00 -0.15 0.55 0.00 -1.71 0.00 0.00 66.02 64.70 2vxj s SER 35 CO -0.05 0.11 1.46 0.00 1.20 0.00 0.00 173.24 175.95 2vxj n TYR 36 N 2.33 0.30 0.00 3.44 0.18 -1.26 -0.89 117.16 121.27 2vxj n TYR 36 Ca -0.16 -0.15 0.00 0.00 1.88 0.00 0.00 57.90 59.47 2vxj n TYR 36 Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 2vxj n TYR 36 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2vxj n GLY 37 N 1.33 0.10 3.38 -7.48 0.00 -1.25 -4.60 105.19 96.67 2vxj n GLY 37 Ca 0.17 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 2vxj n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vxj n PRO 38 N 0.00 -0.40 0.03 1.61 -0.02 -1.26 -4.90 135.00 130.06 2vxj n PRO 38 Ca 0.00 -0.08 -0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2vxj n PRO 38 Cb 0.00 -1.80 0.30 0.00 -0.02 0.00 0.00 33.50 31.98 2vxj n PRO 38 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2vxj h THR 39 N -1.58 1.21 -3.65 3.45 1.35 -2.01 -3.44 112.91 108.23 2vxj h THR 39 Ca -0.44 -0.88 -0.56 0.00 -0.55 0.00 0.00 66.41 63.97 2vxj h THR 39 Cb 1.29 1.08 0.17 0.00 -1.73 0.00 0.00 68.15 68.97 2vxj h THR 39 CO 0.34 0.29 0.06 1.67 -0.25 0.00 0.00 175.52 177.63 2vxj n GLN 40 N -4.25 0.60 -4.34 4.72 7.27 -1.26 -5.04 117.38 115.09 2vxj n GLN 40 Ca 0.01 0.26 -0.23 0.00 0.07 0.00 0.00 57.00 57.11 2vxj n GLN 40 Cb 0.28 -2.16 -0.11 0.00 2.41 0.00 0.00 30.24 30.66 2vxj n GLN 40 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2vxj s LYS 41 N -3.09 1.30 0.11 3.69 1.02 -1.26 -4.55 119.74 116.96 2vxj s LYS 41 Ca 0.74 -1.42 0.05 0.00 0.02 0.00 0.00 55.97 55.36 2vxj s LYS 41 Cb -0.37 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 2vxj s LYS 41 CO 0.50 0.29 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.51 2vxj s TRP 42 N -1.96 1.28 0.45 3.18 0.51 0.86 -4.86 118.94 118.39 2vxj s TRP 42 Ca 0.16 -0.57 -0.08 0.00 -2.12 0.00 0.00 56.10 53.50 2vxj s TRP 42 Cb -0.06 -0.68 0.10 0.00 -0.81 0.00 0.00 33.47 32.02 2vxj s TRP 42 CO 0.07 0.09 0.61 0.41 -0.51 0.00 0.00 176.95 177.62 2vxj n GLY 43 N 0.65 -1.32 0.00 0.98 0.00 -1.26 -0.61 105.19 103.63 2vxj n GLY 43 Ca -0.16 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.21 2vxj n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vxj n PRO 44 N -2.30 0.11 0.00 1.61 -0.04 -1.26 -0.94 135.00 132.18 2vxj n PRO 44 Ca 0.08 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2vxj n PRO 44 Cb 0.26 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.70 2vxj n PRO 44 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2vxj n GLN 45 N -1.31 0.09 0.00 0.54 6.02 -1.26 -1.68 117.38 119.78 2vxj n GLN 45 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2vxj n GLN 45 Cb 0.07 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2vxj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vxj n GLY 46 N 1.47 -0.02 3.09 1.08 0.00 -0.11 -4.32 105.19 106.38 2vxj n GLY 46 Ca 0.07 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2vxj n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vxj s ASP 47 N -4.00 4.93 0.00 1.61 2.15 -0.23 -4.62 116.67 116.50 2vxj s ASP 47 Ca 0.00 -1.84 0.10 0.00 0.43 0.00 0.00 52.55 51.24 2vxj s ASP 47 Cb 0.00 -1.71 0.45 0.00 -0.30 0.00 0.00 42.92 41.37 2vxj s ASP 47 CO 0.00 -0.39 1.30 -2.11 -0.17 0.00 0.00 175.17 173.80 2vxj n ARG 48 N 4.47 0.03 0.04 4.34 1.85 -1.26 -2.71 116.66 123.42 2vxj n ARG 48 Ca -0.04 0.29 0.11 0.00 -1.00 0.00 0.00 57.85 57.22 2vxj n ARG 48 Cb 0.42 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.26 2vxj n ARG 48 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2vxj n GLU 49 N -1.45 0.54 -2.83 2.89 1.02 -1.26 -4.97 120.64 114.58 2vxj n GLU 49 Ca 0.03 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 2vxj n GLU 49 Cb 0.11 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 2vxj n GLU 49 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2vxj s HIS 50 N -3.38 3.71 0.61 -0.32 2.46 -1.10 -5.04 115.29 112.24 2vxj s HIS 50 Ca -0.03 1.61 -0.14 0.00 0.47 0.00 0.00 55.06 56.97 2vxj s HIS 50 Cb 0.13 -2.98 -0.03 0.00 -0.13 0.00 0.00 32.58 29.57 2vxj s HIS 50 CO 0.85 0.14 1.05 -1.25 -2.47 0.00 0.00 174.74 173.06 2vxj s PRO 51 N 0.39 3.31 -0.64 2.88 0.04 -1.26 -4.74 135.00 134.99 2vxj s PRO 51 Ca 0.45 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 2vxj s PRO 51 Cb -0.21 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.33 2vxj s PRO 51 CO 0.26 -0.80 1.17 0.34 0.04 0.00 0.00 177.00 178.00 2vxj s ASP 52 N -3.19 6.30 0.00 6.66 -1.08 -1.26 -4.90 116.67 119.20 2vxj s ASP 52 Ca 0.61 -0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.46 2vxj s ASP 52 Cb -0.14 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 39.09 2vxj s ASP 52 CO 0.42 -1.57 1.24 0.00 0.52 0.00 0.00 175.17 175.78 2vxj n GLN 53 N 8.57 1.60 0.00 4.34 6.02 -1.26 -4.77 117.38 131.88 2vxj n GLN 53 Ca 0.04 -0.93 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 2vxj n GLN 53 Cb 0.48 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2vxj n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vxj n GLY 54 N 0.93 0.92 3.75 1.08 0.00 -1.26 -5.02 105.19 105.59 2vxj n GLY 54 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2vxj n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vxj s LEU 55 N 0.00 3.56 0.47 0.99 1.43 -1.26 -4.36 118.68 119.51 2vxj s LEU 55 Ca 0.00 2.37 0.32 0.00 -1.03 0.00 0.00 54.13 55.79 2vxj s LEU 55 Cb 0.00 -4.59 1.60 0.00 0.03 0.00 0.00 46.19 43.23 2vxj s LEU 55 CO 0.00 -1.77 1.97 0.16 0.23 0.00 0.00 176.35 176.94 2vxj h ILE 56 N 0.53 0.00 -3.09 -0.59 3.07 -1.79 -3.37 117.51 112.27 2vxj h ILE 56 Ca -0.50 -0.14 -0.49 0.00 1.55 0.00 0.00 64.86 65.29 2vxj h ILE 56 Cb 1.30 0.94 -0.41 0.00 -0.27 0.00 0.00 36.82 38.38 2vxj h ILE 56 CO 0.54 0.00 -0.76 0.00 -1.05 0.00 0.00 178.15 176.88 2vxj n HIS 58 N 5.20 0.42 -0.36 0.00 1.44 -1.26 -3.14 115.22 117.52 2vxj n HIS 58 Ca -0.07 0.15 0.09 0.00 -2.01 0.00 0.00 57.72 55.87 2vxj n HIS 58 Cb 0.47 -0.74 0.32 0.00 0.12 0.00 0.00 29.99 30.17 2vxj n HIS 58 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2vxj n ASP 59 N -1.87 4.28 -3.91 4.39 8.00 -1.26 -4.89 116.55 121.30 2vxj n ASP 59 Ca 0.04 -2.38 -0.09 0.00 0.71 0.00 0.00 54.79 53.08 2vxj n ASP 59 Cb 0.27 -0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 2vxj n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vxj s ALA 60 N -1.78 -0.10 0.67 2.24 0.00 -1.19 -4.87 121.76 116.74 2vxj s ALA 60 Ca 0.46 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2vxj s ALA 60 Cb 0.29 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 2vxj s ALA 60 CO 0.23 -0.40 1.05 -0.06 0.00 0.00 0.00 175.76 176.58 2vxj s PHE 61 N -3.24 3.18 0.27 0.00 0.08 -1.26 -4.90 117.98 112.10 2vxj s PHE 61 Ca 0.00 1.41 -0.31 0.00 0.12 0.00 0.00 56.93 58.16 2vxj s PHE 61 Cb 0.02 -2.87 -0.12 0.00 -0.57 0.00 0.00 43.02 39.49 2vxj s PHE 61 CO -0.08 -1.12 1.58 0.00 -0.10 0.00 0.00 175.22 175.50 2vxj n GLY 63 N 2.46 0.68 3.85 0.00 0.00 0.17 -1.07 105.19 111.28 2vxj n GLY 63 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2vxj n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxj s ALA 64 N -2.73 3.15 0.13 4.61 0.00 -0.51 -3.75 121.76 122.66 2vxj s ALA 64 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2vxj s ALA 64 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 2vxj s ALA 64 CO 0.00 -0.10 1.01 -1.17 0.00 0.00 0.00 175.76 175.50 2vxj s LEU 65 N -3.84 4.49 0.29 0.00 2.96 -0.68 -0.36 118.68 121.54 2vxj s LEU 65 Ca 0.57 1.89 0.03 0.00 -0.22 0.00 0.00 54.13 56.40 2vxj s LEU 65 Cb -0.10 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2vxj s LEU 65 CO 0.28 -0.13 0.18 0.68 -1.32 0.00 0.00 176.35 176.05 2vxj s VAL 66 N -0.04 0.18 0.19 1.68 -7.23 -0.47 -1.05 120.40 113.66 2vxj s VAL 66 Ca 0.48 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2vxj s VAL 66 Cb -0.25 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 2vxj s VAL 66 CO 0.31 0.00 0.36 0.00 -0.31 0.00 0.00 175.10 175.46 2vxj s MET 67 N -3.81 1.29 0.04 4.82 0.23 -0.06 -1.42 119.30 120.39 2vxj s MET 67 Ca 0.38 -1.17 0.08 0.00 -1.03 0.00 0.00 55.69 53.94 2vxj s MET 67 Cb 0.05 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2vxj s MET 67 CO 0.18 -0.50 -0.22 0.15 -2.03 0.00 0.00 175.02 172.61 2vxj s LYS 68 N -3.98 1.49 -0.29 3.16 1.02 -0.31 -0.46 119.74 120.38 2vxj s LYS 68 Ca 0.18 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 2vxj s LYS 68 Cb 0.02 -1.62 0.05 0.00 -0.52 0.00 0.00 37.83 35.76 2vxj s LYS 68 CO 0.02 0.42 -0.03 0.42 -0.92 0.00 0.00 175.35 175.26 2vxj s ILE 69 N -0.80 2.79 0.00 2.17 1.01 -1.26 -1.83 121.20 123.28 2vxj s ILE 69 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.34 2vxj s ILE 69 Cb -0.09 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2vxj s ILE 69 CO 0.02 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2vxj n GLY 70 N 4.59 3.23 1.96 6.18 0.00 -0.54 -1.80 105.19 118.80 2vxj n GLY 70 Ca -0.14 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2vxj n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2vxj n ASN 71 N 4.55 4.22 -4.72 1.61 5.15 -1.26 -4.91 115.26 119.89 2vxj n ASN 71 Ca 0.00 -3.25 -0.29 0.00 -0.60 0.00 0.00 54.58 50.44 2vxj n ASN 71 Cb 0.00 -0.80 0.15 0.00 -0.53 0.00 0.00 39.78 38.60 2vxj n ASN 71 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2vxj s SER 72 N -0.74 3.22 1.16 1.20 1.04 -0.75 -5.06 113.70 113.76 2vxj s SER 72 Ca 0.44 1.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.90 2vxj s SER 72 Cb 0.36 -1.88 0.28 0.00 0.10 0.00 0.00 66.02 64.88 2vxj s SER 72 CO 0.07 -2.76 1.21 -0.83 0.98 0.00 0.00 173.24 171.90 2vxj s GLY 73 N -3.62 1.68 0.40 7.32 0.00 -1.26 -4.68 107.32 107.16 2vxj s GLY 73 Ca 0.64 -1.19 -0.24 0.00 0.00 0.00 0.00 44.72 43.93 2vxj s GLY 73 CO 0.56 -0.28 1.01 -0.51 0.00 0.00 0.00 173.10 173.88 2vxj s THR 74 N -3.39 3.91 -0.07 0.90 -4.23 -1.26 -4.56 115.64 106.95 2vxj s THR 74 Ca 0.74 1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 62.67 2vxj s THR 74 Cb -0.05 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.10 2vxj s THR 74 CO 0.55 -0.03 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.95 2vxj s ILE 75 N -1.75 0.52 0.22 2.99 1.01 0.39 -4.95 121.20 119.63 2vxj s ILE 75 Ca 0.58 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.92 2vxj s ILE 75 Cb -0.19 -0.63 -0.11 0.00 0.01 0.00 0.00 42.46 41.54 2vxj s ILE 75 CO 0.24 0.27 1.64 -2.84 0.00 0.00 0.00 174.94 174.25 2vxj s PRO 76 N 1.73 4.15 -0.15 2.79 0.02 -1.26 -0.88 135.00 141.40 2vxj s PRO 76 Ca 0.02 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 2vxj s PRO 76 Cb -0.13 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 2vxj s PRO 76 CO -0.05 -0.67 -0.18 0.28 -0.33 0.00 0.00 177.00 176.06 2vxj n VAL 77 N 3.44 0.83 -1.67 3.83 0.31 -0.79 -4.87 118.33 119.40 2vxj n VAL 77 Ca 0.13 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2vxj n VAL 77 Cb 0.37 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2vxj n VAL 77 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2vxj n ASN 78 N -3.45 0.00 0.28 4.52 3.02 -0.22 -2.35 115.26 117.07 2vxj n ASN 78 Ca -0.28 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.44 2vxj n ASN 78 Cb 0.73 0.00 0.76 0.00 -0.61 0.00 0.00 39.78 40.66 2vxj n ASN 78 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2vxj h THR 79 N 0.00 0.00 0.00 3.41 1.35 -1.86 -3.42 112.91 112.39 2vxj h THR 79 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2vxj h THR 79 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2vxj h THR 79 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2vxj n GLY 80 N -0.14 -0.93 3.05 5.82 0.00 -0.99 -1.46 105.19 110.55 2vxj n GLY 80 Ca 0.00 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 2vxj n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vxj s LEU 81 N 0.00 1.69 -0.36 0.99 1.43 -0.18 -4.94 118.68 117.31 2vxj s LEU 81 Ca 0.00 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2vxj s LEU 81 Cb 0.00 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.36 2vxj s LEU 81 CO 0.00 0.05 0.15 0.12 0.23 0.00 0.00 176.35 176.89 2vxj s PHE 82 N 0.65 3.26 -1.18 0.29 5.36 -1.26 -1.19 117.98 123.91 2vxj s PHE 82 Ca -0.15 -1.31 -0.20 0.00 -0.96 0.00 0.00 56.93 54.31 2vxj s PHE 82 Cb -0.16 -2.38 -0.00 0.00 -0.34 0.00 0.00 43.02 40.13 2vxj s PHE 82 CO 0.04 -0.72 0.74 0.54 -1.46 0.00 0.00 175.22 174.36 2vxj n ARG 83 N 4.87 -1.41 -3.66 10.12 1.74 -1.05 -4.95 116.66 122.32 2vxj n ARG 83 Ca -0.12 0.42 -0.37 0.00 -0.77 0.00 0.00 57.85 57.01 2vxj n ARG 83 Cb 0.45 -4.03 -0.07 0.00 -1.02 0.00 0.00 32.46 27.79 2vxj n ARG 83 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2vxj s TRP 84 N -3.53 3.54 -0.08 -1.55 -0.00 0.13 -4.76 118.94 112.68 2vxj s TRP 84 Ca 0.42 0.60 0.02 0.00 -0.00 0.00 0.00 56.10 57.14 2vxj s TRP 84 Cb -0.16 -2.19 -0.02 0.00 -0.00 0.00 0.00 33.47 31.10 2vxj s TRP 84 CO 0.87 0.46 -0.14 0.08 -0.00 0.00 0.00 176.95 178.22 2vxj s VAL 85 N -0.23 3.04 0.00 5.86 1.01 -1.26 -1.23 120.40 127.58 2vxj s VAL 85 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2vxj s VAL 85 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2vxj s VAL 85 CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.71 2vxj n ALA 86 N 2.84 0.00 0.00 5.51 0.00 -1.26 -5.09 120.51 122.51 2vxj n ALA 86 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2vxj n ALA 86 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2vxj n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vxj n ASN 89 N 0.00 0.00 -4.75 0.00 4.13 -1.26 -5.02 115.26 108.36 2vxj n ASN 89 Ca 0.00 -0.78 -0.32 0.00 1.68 0.00 0.00 54.58 55.16 2vxj n ASN 89 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 2vxj n ASN 89 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2vxj s VAL 90 N 1.55 4.48 0.04 2.41 -7.23 -1.26 -5.09 120.40 115.29 2vxj s VAL 90 Ca 0.00 -0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 59.31 2vxj s VAL 90 Cb 0.00 -3.07 0.09 0.00 0.56 0.00 0.00 36.38 33.97 2vxj s VAL 90 CO 0.00 0.29 0.82 0.00 -0.31 0.00 0.00 175.10 175.90 2vxj s GLN 91 N -1.88 0.95 0.00 4.82 -2.07 -1.26 -4.67 119.66 115.54 2vxj s GLN 91 Ca 0.24 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 2vxj s GLN 91 Cb -0.12 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2vxj s GLN 91 CO 0.15 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.12 2vxj n GLY 92 N -0.28 0.64 3.77 2.60 0.00 -0.36 -3.56 105.19 107.99 2vxj n GLY 92 Ca -0.11 -2.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 2vxj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxj s ALA 93 N -1.14 3.59 -0.14 4.61 0.00 -1.26 -0.64 121.76 126.77 2vxj s ALA 93 Ca 0.00 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 2vxj s ALA 93 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2vxj s ALA 93 CO 0.00 -0.92 0.73 0.42 0.00 0.00 0.00 175.76 175.99 2vxj s ILE 94 N -0.87 4.97 -0.17 0.00 1.01 0.05 -1.46 121.20 124.73 2vxj s ILE 94 Ca 0.54 1.45 -0.02 0.00 0.00 0.00 0.00 60.65 62.62 2vxj s ILE 94 Cb -0.45 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2vxj s ILE 94 CO 0.57 0.12 -0.10 -0.89 0.00 0.00 0.00 174.94 174.65 2vxj s THR 95 N 1.64 3.14 -0.05 2.92 2.01 -0.76 -0.87 115.64 123.67 2vxj s THR 95 Ca 0.35 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 2vxj s THR 95 Cb -0.17 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2vxj s THR 95 CO 0.14 0.48 0.35 -0.76 -0.69 0.00 0.00 174.62 174.14 2vxj s LEU 96 N 0.91 4.42 -0.02 4.42 1.43 0.65 -1.16 118.68 129.32 2vxj s LEU 96 Ca -0.02 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2vxj s LEU 96 Cb -0.15 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.61 2vxj s LEU 96 CO 0.00 0.29 0.07 -0.63 0.23 0.00 0.00 176.35 176.31 2vxj s ILE 97 N -0.78 0.01 0.17 -0.59 1.01 -0.51 0.54 121.20 121.06 2vxj s ILE 97 Ca 0.21 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 2vxj s ILE 97 Cb -0.15 -0.13 -0.08 0.00 0.01 0.00 0.00 42.46 42.11 2vxj s ILE 97 CO 0.10 -0.04 1.16 -0.47 0.00 0.00 0.00 174.94 175.69 2vxj s TYR 98 N -0.10 3.49 -0.53 3.97 5.04 -1.26 -1.37 117.35 126.59 2vxj s TYR 98 Ca -0.01 1.48 -0.26 0.00 -2.44 0.00 0.00 57.07 55.84 2vxj s TYR 98 Cb -0.01 -3.37 0.03 0.00 0.35 0.00 0.00 41.96 38.96 2vxj s TYR 98 CO 0.00 -0.97 1.02 1.21 -1.34 0.00 0.00 175.55 175.47 2vxj s ASN 99 N 0.13 6.43 0.34 4.32 2.47 0.52 -4.93 114.94 124.22 2vxj s ASN 99 Ca 0.52 -0.06 -0.00 0.00 0.42 0.00 0.00 52.86 53.73 2vxj s ASN 99 Cb -0.31 -2.48 -0.00 0.00 -1.45 0.00 0.00 41.25 37.01 2vxj s ASN 99 CO 0.35 -1.25 0.44 -0.62 -3.72 0.00 0.00 177.10 172.30 2vxj s ASP 100 N 2.71 1.07 -0.04 -4.21 -1.08 -1.26 0.43 116.67 114.29 2vxj s ASP 100 Ca 0.36 -1.55 -0.22 0.00 -0.52 0.00 0.00 52.55 50.63 2vxj s ASP 100 Cb -0.10 0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 2vxj s ASP 100 CO 0.23 -1.26 0.65 -0.69 0.52 0.00 0.00 175.17 174.63 2vxj s VAL 101 N -3.12 4.98 0.25 1.11 1.01 -1.26 -2.06 120.40 121.31 2vxj s VAL 101 Ca 0.33 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.38 2vxj s VAL 101 Cb 0.00 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 2vxj s VAL 101 CO 0.22 0.33 0.83 -2.65 0.00 0.00 0.00 175.10 173.82 2vxj n PRO 102 N 3.31 0.83 0.00 2.72 -0.02 -1.26 -1.90 135.00 138.69 2vxj n PRO 102 Ca -0.04 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2vxj n PRO 102 Cb 0.51 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2vxj n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vxj n GLY 103 N 1.53 2.75 0.73 -1.23 0.00 -1.26 -4.85 105.19 102.86 2vxj n GLY 103 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2vxj n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vxj n THR 104 N -2.00 1.49 1.05 2.61 -2.24 -0.80 -4.54 114.28 109.85 2vxj n THR 104 Ca 0.00 -1.33 0.14 0.00 -2.27 0.00 0.00 64.05 60.59 2vxj n THR 104 Cb 0.00 0.22 0.55 0.00 -2.10 0.00 0.00 70.33 68.99 2vxj n THR 104 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2vxj n TYR 105 N 0.12 0.00 -0.14 4.78 4.02 -1.26 -4.05 117.16 120.63 2vxj n TYR 105 Ca 0.15 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.11 2vxj n TYR 105 Cb 0.60 -0.42 0.39 0.00 -0.02 0.00 0.00 39.34 39.89 2vxj n TYR 105 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2vxj h GLY 106 N 5.00 0.84 -2.58 2.72 0.00 -1.87 -2.62 103.07 104.57 2vxj h GLY 106 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2vxj h GLY 106 CO 0.00 0.20 0.00 1.16 0.00 0.00 0.00 176.54 177.90 2vxj n ASN 107 N -4.48 3.94 -4.86 0.19 6.94 -1.26 -4.96 115.26 110.77 2vxj n ASN 107 Ca 0.09 -2.41 -0.33 0.00 -0.02 0.00 0.00 54.58 51.92 2vxj n ASN 107 Cb 0.23 -0.53 -0.06 0.00 -2.36 0.00 0.00 39.78 37.06 2vxj n ASN 107 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2vxj s ASN 108 N -0.76 6.71 0.05 0.53 -0.87 -0.99 -3.90 114.94 115.72 2vxj s ASN 108 Ca 0.40 1.06 -0.04 0.00 -1.57 0.00 0.00 52.86 52.71 2vxj s ASN 108 Cb 0.27 -2.28 -0.02 0.00 -0.02 0.00 0.00 41.25 39.19 2vxj s ASN 108 CO 0.18 -0.08 0.04 -0.94 -2.57 0.00 0.00 177.10 173.73 2vxj s SER 109 N -2.22 0.32 0.00 -1.22 1.04 -0.07 -4.42 113.70 107.14 2vxj s SER 109 Ca 0.48 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2vxj s SER 109 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2vxj s SER 109 CO 0.20 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2vxj n GLY 110 N 0.33 -2.46 3.58 7.32 0.00 -1.26 -0.35 105.19 112.35 2vxj n GLY 110 Ca -0.16 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 2vxj n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vxj s SER 111 N -2.38 -0.26 -0.09 1.61 1.04 -1.18 -1.65 113.70 110.79 2vxj s SER 111 Ca 0.00 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.94 2vxj s SER 111 Cb 0.00 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2vxj s SER 111 CO 0.00 -1.11 -0.15 -0.36 0.98 0.00 0.00 173.24 172.60 2vxj s PHE 112 N -3.89 2.72 -0.06 5.02 0.08 -0.53 -3.40 117.98 117.91 2vxj s PHE 112 Ca 0.10 -0.45 -0.29 0.00 0.12 0.00 0.00 56.93 56.41 2vxj s PHE 112 Cb -0.02 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2vxj s PHE 112 CO -0.00 -0.05 0.96 -1.12 -0.10 0.00 0.00 175.22 174.91 2vxj s SER 113 N -0.17 7.25 -0.03 1.36 0.01 0.81 -0.77 113.70 122.16 2vxj s SER 113 Ca -0.01 1.53 0.02 0.00 1.31 0.00 0.00 55.95 58.80 2vxj s SER 113 Cb -0.13 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2vxj s SER 113 CO 0.03 -0.34 -0.08 -0.69 0.41 0.00 0.00 173.24 172.57 2vxj s VAL 114 N 1.52 0.71 -0.10 3.43 1.01 0.27 -0.51 120.40 126.73 2vxj s VAL 114 Ca 0.48 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 2vxj s VAL 114 Cb -0.19 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2vxj s VAL 114 CO 0.22 0.23 -0.09 0.20 0.00 0.00 0.00 175.10 175.66 2vxj s ASN 115 N 0.33 4.44 -0.06 3.32 -0.87 -0.35 -1.14 114.94 120.62 2vxj s ASN 115 Ca -0.05 -0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.13 2vxj s ASN 115 Cb -0.10 -1.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.74 2vxj s ASN 115 CO 0.01 0.26 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.99 2vxj s ILE 116 N -0.21 1.51 0.08 0.60 1.01 0.12 -1.84 121.20 122.48 2vxj s ILE 116 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2vxj s ILE 116 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2vxj s ILE 116 CO 0.03 0.43 -0.10 -0.83 0.00 0.00 0.00 174.94 174.47 2vxj s GLY 117 N 0.21 0.76 -0.03 6.18 0.00 -0.08 0.50 107.32 114.85 2vxj s GLY 117 Ca -0.09 -1.06 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 2vxj s GLY 117 CO 0.04 -1.12 0.56 0.54 0.00 0.00 0.00 173.10 173.12 2vxj s LYS 118 N -2.38 4.30 0.53 2.90 1.02 -1.26 -1.10 119.74 123.75 2vxj s LYS 118 Ca 0.01 0.66 0.05 0.00 0.02 0.00 0.00 55.97 56.70 2vxj s LYS 118 Cb -0.05 -3.36 0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2vxj s LYS 118 CO 0.00 0.32 0.74 -0.51 -0.92 0.00 0.00 175.35 174.98 2vxj s ASP 119 N 0.00 5.25 0.45 2.83 1.01 0.37 -4.93 116.67 121.65 2vxj s ASP 119 Ca 0.30 -0.37 -0.24 0.00 0.71 0.00 0.00 52.55 52.95 2vxj s ASP 119 Cb -0.17 -0.45 -0.09 0.00 1.01 0.00 0.00 42.92 43.21 2vxj s ASP 119 CO 0.15 -1.14 1.17 0.00 0.21 0.00 0.00 175.17 175.56 2vxj n GLN 120 N -2.22 1.62 0.00 8.23 6.02 -1.26 -4.60 117.38 125.17 2vxj n GLN 120 Ca 0.10 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2vxj n GLN 120 Cb 0.60 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.59 2vxj n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92