#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 0.57 -0.03 0.00 -0.00 0.99 -4.95 118.94 115.52 2vxj s TRP 2 Ca 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 56.10 56.02 2vxj s TRP 2 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 33.47 33.08 2vxj s TRP 2 CO 0.00 -0.03 -0.11 0.21 -0.00 0.00 0.00 176.95 177.02 2vxj s LYS 3 N -0.02 1.09 0.00 5.86 2.20 -1.26 -0.58 119.74 127.03 2vxj s LYS 3 Ca 0.01 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2vxj s LYS 3 Cb -0.04 -1.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.27 2vxj s LYS 3 CO -0.00 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 2vxj n GLY 4 N 3.21 -1.25 3.51 5.54 0.00 -0.94 -5.03 105.19 110.23 2vxj n GLY 4 Ca -0.18 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 2vxj n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vxj s GLU 5 N -0.69 3.29 -0.37 1.61 2.12 -1.26 -0.63 118.70 122.76 2vxj s GLU 5 Ca 0.00 -0.55 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 2vxj s GLU 5 Cb 0.00 -2.75 0.03 0.00 0.26 0.00 0.00 34.13 31.67 2vxj s GLU 5 CO 0.00 0.40 0.20 0.08 -0.54 0.00 0.00 175.26 175.40 2vxj s VAL 6 N -0.08 4.50 0.15 3.70 1.01 0.82 -4.94 120.40 125.55 2vxj s VAL 6 Ca 0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2vxj s VAL 6 Cb -0.13 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2vxj s VAL 6 CO 0.03 -0.25 1.17 -0.76 0.00 0.00 0.00 175.10 175.29 2vxj s LEU 7 N 1.54 4.44 0.59 3.92 1.02 -1.26 -1.27 118.68 127.65 2vxj s LEU 7 Ca 0.02 2.13 0.31 0.00 0.02 0.00 0.00 54.13 56.61 2vxj s LEU 7 Cb -0.19 -3.60 1.82 0.00 0.02 0.00 0.00 46.19 44.24 2vxj s LEU 7 CO 0.06 -0.35 2.23 0.00 0.02 0.00 0.00 176.35 178.32 2vxj h ALA 8 N 5.58 1.41 -0.70 4.21 0.00 -1.50 -2.61 119.26 125.65 2vxj h ALA 8 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vxj h ALA 8 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2vxj h ALA 8 CO 0.75 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.30 2vxj n ASN 9 N -3.71 3.73 -4.45 0.00 6.94 -1.26 -4.74 115.26 111.77 2vxj n ASN 9 Ca -0.03 -2.00 -0.44 0.00 -0.02 0.00 0.00 54.58 52.09 2vxj n ASN 9 Cb 0.11 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.00 6.74 0.36 0.53 3.84 -0.99 -4.70 114.94 119.73 2vxj s ASN 10 Ca 0.47 -2.30 0.03 0.00 0.21 0.00 0.00 52.86 51.26 2vxj s ASN 10 Cb 0.24 -2.39 0.66 0.00 -0.55 0.00 0.00 41.25 39.21 2vxj s ASN 10 CO 0.32 -0.96 2.01 -0.08 -2.79 0.00 0.00 177.10 175.59 2vxj h GLU 11 N 8.38 0.80 0.00 0.43 4.81 -1.88 -1.59 114.58 125.54 2vxj h GLU 11 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2vxj h GLU 11 Cb 0.99 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2vxj h GLU 11 CO 1.13 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 179.94 2vxj h ALA 12 N 1.62 1.00 0.00 2.92 0.00 -1.97 -3.49 119.26 119.34 2vxj h ALA 12 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2vxj h ALA 12 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2vxj h ALA 12 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2vxj n GLY 13 N 0.22 -0.83 3.46 0.00 0.00 -0.60 -4.90 105.19 102.54 2vxj n GLY 13 Ca 0.02 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.66 3.06 0.21 1.61 2.00 0.93 -4.91 119.66 119.90 2vxj s GLN 14 Ca 0.00 -0.91 -0.30 0.00 -2.00 0.00 0.00 55.36 52.15 2vxj s GLN 14 Cb 0.00 -4.01 -0.09 0.00 0.80 0.00 0.00 33.01 29.71 2vxj s GLN 14 CO 0.00 -0.92 1.23 0.54 -0.50 0.00 0.00 175.29 175.64 2vxj s VAL 15 N 2.06 3.39 0.48 1.34 0.11 -1.26 -0.75 120.40 125.76 2vxj s VAL 15 Ca 0.10 1.19 0.08 0.00 -2.93 0.00 0.00 61.98 60.42 2vxj s VAL 15 Cb -0.19 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 30.93 2vxj s VAL 15 CO 0.12 0.20 0.56 0.42 -3.33 0.00 0.00 175.10 173.07 2vxj s THR 16 N -0.18 2.47 -1.31 5.04 -4.23 -0.41 -4.96 115.64 112.06 2vxj s THR 16 Ca 0.53 -1.17 0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2vxj s THR 16 Cb -0.34 -2.63 0.43 0.00 1.34 0.00 0.00 72.50 71.29 2vxj s THR 16 CO 0.39 0.00 1.99 -1.54 -0.54 0.00 0.00 174.62 174.92 2vxj n SER 17 N -1.87 0.04 -4.64 3.99 3.41 -1.26 -4.67 113.62 108.62 2vxj n SER 17 Ca 0.08 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 2vxj n SER 17 Cb 0.61 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.70 4.69 -0.32 -1.33 -1.09 -1.26 -5.01 121.20 114.17 2vxj s ILE 18 Ca 0.24 1.74 -0.12 0.00 -2.23 0.00 0.00 60.65 60.28 2vxj s ILE 18 Cb 0.20 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2vxj s ILE 18 CO 0.49 -0.24 0.22 -0.63 -1.23 0.00 0.00 174.94 173.54 2vxj s ILE 19 N 3.21 5.28 -0.16 2.92 -1.09 -1.26 -0.94 121.20 129.16 2vxj s ILE 19 Ca 0.41 -0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 2vxj s ILE 19 Cb -0.14 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2vxj s ILE 19 CO 0.10 0.09 1.03 -0.47 -1.23 0.00 0.00 174.94 174.46 2vxj s TYR 20 N 1.73 3.42 0.10 3.97 6.14 0.21 -4.88 117.35 128.05 2vxj s TYR 20 Ca 0.06 1.52 0.08 0.00 0.64 0.00 0.00 57.07 59.37 2vxj s TYR 20 Cb -0.17 -3.23 -0.04 0.00 0.42 0.00 0.00 41.96 38.94 2vxj s TYR 20 CO 0.11 -0.38 -0.13 -0.80 0.64 0.00 0.00 175.55 174.99 2vxj s ASN 21 N 1.16 4.23 -0.12 4.32 0.01 -1.26 -0.46 114.94 122.83 2vxj s ASN 21 Ca 0.47 -0.43 -0.41 0.00 -0.71 0.00 0.00 52.86 51.77 2vxj s ASN 21 Cb -0.17 -0.75 -0.19 0.00 0.41 0.00 0.00 41.25 40.55 2vxj s ASN 21 CO 0.13 0.18 1.27 -2.65 -1.51 0.00 0.00 177.10 174.52 2vxj n PRO 22 N 0.78 0.21 0.00 -0.60 -0.02 -1.26 -1.43 135.00 132.68 2vxj n PRO 22 Ca -0.14 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2vxj n PRO 22 Cb 0.52 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 2.38 2.14 3.76 -1.23 0.00 -1.26 -5.03 105.19 105.95 2vxj n GLY 23 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.77 5.67 -0.09 1.61 1.01 -0.51 -4.94 116.67 116.64 2vxj s ASP 24 Ca 0.00 2.74 0.02 0.00 0.71 0.00 0.00 52.55 56.02 2vxj s ASP 24 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2vxj s ASP 24 CO 0.00 -1.30 -0.15 -0.69 0.21 0.00 0.00 175.17 173.24 2vxj s VAL 25 N -1.30 2.98 0.05 -1.27 1.01 -1.26 -4.48 120.40 116.13 2vxj s VAL 25 Ca 0.66 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2vxj s VAL 25 Cb -0.40 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2vxj s VAL 25 CO 0.49 0.56 -0.08 0.27 0.00 0.00 0.00 175.10 176.34 2vxj s ILE 26 N -0.18 0.59 -0.02 2.22 -4.36 -0.42 -0.92 121.20 118.11 2vxj s ILE 26 Ca -0.00 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 2vxj s ILE 26 Cb -0.13 -0.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.73 2vxj s ILE 26 CO 0.03 -0.47 -0.17 -0.89 0.24 0.00 0.00 174.94 173.67 2vxj s THR 27 N -1.82 1.38 -0.05 8.37 2.01 -0.67 -0.38 115.64 124.48 2vxj s THR 27 Ca -0.05 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2vxj s THR 27 Cb -0.07 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.30 2vxj s THR 27 CO -0.01 0.39 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.62 2vxj s ILE 28 N -0.36 0.67 -0.13 1.82 1.01 -0.25 -1.24 121.20 122.72 2vxj s ILE 28 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2vxj s ILE 28 Cb -0.07 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2vxj s ILE 28 CO -0.00 0.25 -0.20 -0.69 0.00 0.00 0.00 174.94 174.30 2vxj s VAL 29 N 0.81 1.86 -0.05 2.92 1.01 -0.81 -1.03 120.40 125.11 2vxj s VAL 29 Ca -0.12 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2vxj s VAL 29 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2vxj s VAL 29 CO 0.01 0.51 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 2vxj s ALA 30 N 0.89 2.41 0.08 5.51 0.00 0.96 -1.18 121.76 130.42 2vxj s ALA 30 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2vxj s ALA 30 Cb -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2vxj s ALA 30 CO -0.02 0.51 -0.06 0.00 0.00 0.00 0.00 175.76 176.19 2vxj s ALA 31 N -0.53 0.83 0.00 0.00 0.00 -0.49 -4.74 121.76 116.83 2vxj s ALA 31 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2vxj s ALA 31 Cb -0.11 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2vxj s ALA 31 CO 0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2vxj n GLY 32 N 0.21 0.46 2.91 0.00 0.00 -1.26 -0.44 105.19 107.06 2vxj n GLY 32 Ca -0.14 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.51 0.51 0.18 1.61 0.52 -1.17 -4.26 118.94 115.82 2vxj s TRP 33 Ca 0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 56.10 55.89 2vxj s TRP 33 Cb 0.00 -0.43 0.01 0.00 -1.15 0.00 0.00 33.47 31.90 2vxj s TRP 33 CO 0.00 -0.09 0.41 0.00 0.02 0.00 0.00 176.95 177.29 2vxj s ALA 34 N 0.44 -0.48 0.04 0.98 0.00 0.40 -2.88 121.76 120.26 2vxj s ALA 34 Ca -0.05 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2vxj s ALA 34 Cb -0.08 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2vxj s ALA 34 CO -0.00 -0.73 -0.11 0.45 0.00 0.00 0.00 175.76 175.37 2vxj s SER 35 N -2.92 1.23 0.00 0.00 0.15 -0.19 0.07 113.70 112.04 2vxj s SER 35 Ca 0.13 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.57 2vxj s SER 35 Cb 0.01 -0.05 0.59 0.00 -1.71 0.00 0.00 66.02 64.86 2vxj s SER 35 CO -0.01 -0.05 1.48 0.00 1.20 0.00 0.00 173.24 175.86 2vxj n TYR 36 N 1.86 0.25 0.00 3.44 4.11 -1.26 -1.62 117.16 123.95 2vxj n TYR 36 Ca -0.19 -0.13 0.00 0.00 -0.00 0.00 0.00 57.90 57.58 2vxj n TYR 36 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 2vxj n TYR 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vxj n GLY 37 N 1.30 1.62 3.40 -7.48 0.00 -1.25 -4.53 105.19 98.24 2vxj n GLY 37 Ca 0.17 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.74 -0.13 1.61 -0.02 -1.26 -4.92 135.00 127.54 2vxj n PRO 38 Ca 0.00 -0.78 -0.06 0.00 -2.02 0.00 0.00 63.50 60.64 2vxj n PRO 38 Cb 0.00 -2.05 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 2vxj n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vxj h THR 39 N -2.76 1.26 -3.77 3.45 1.03 -2.01 -3.45 112.91 106.66 2vxj h THR 39 Ca -0.60 -1.12 -0.47 0.00 -0.01 0.00 0.00 66.41 64.21 2vxj h THR 39 Cb 1.34 0.92 0.18 0.00 -1.07 0.00 0.00 68.15 69.52 2vxj h THR 39 CO 0.46 0.39 0.14 -1.10 -0.01 0.00 0.00 175.52 175.41 2vxj s GLN 40 N -4.92 0.25 0.10 0.00 -0.21 -1.26 -5.04 119.66 108.58 2vxj s GLN 40 Ca -0.10 0.93 0.05 0.00 0.02 0.00 0.00 55.36 56.26 2vxj s GLN 40 Cb 0.14 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 2vxj s GLN 40 CO 0.83 -2.96 -0.13 0.15 -2.12 0.00 0.00 175.29 171.06 2vxj s LYS 41 N -4.70 0.91 0.17 2.91 1.02 -1.26 -4.55 119.74 114.25 2vxj s LYS 41 Ca 0.66 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 55.56 2vxj s LYS 41 Cb -0.22 -0.75 -0.05 0.00 -0.52 0.00 0.00 37.83 36.30 2vxj s LYS 41 CO 0.60 0.14 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.48 2vxj s TRP 42 N -2.06 1.43 0.27 3.18 0.51 0.11 -4.86 118.94 117.52 2vxj s TRP 42 Ca 0.05 -0.70 -0.04 0.00 -2.12 0.00 0.00 56.10 53.30 2vxj s TRP 42 Cb -0.05 -0.71 0.06 0.00 -0.81 0.00 0.00 33.47 31.96 2vxj s TRP 42 CO 0.02 0.17 0.36 0.41 -0.51 0.00 0.00 176.95 177.40 2vxj n GLY 43 N -0.27 -0.77 0.04 0.98 0.00 -1.26 -0.46 105.19 103.45 2vxj n GLY 43 Ca -0.09 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.22 2vxj n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vxj n PRO 44 N -1.75 0.04 0.00 1.61 -0.02 -1.26 -0.43 135.00 133.19 2vxj n PRO 44 Ca 0.05 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 62.14 2vxj n PRO 44 Cb 0.17 -1.61 0.72 0.00 -0.02 0.00 0.00 33.50 32.75 2vxj n PRO 44 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2vxj n GLN 45 N -1.70 1.25 0.00 -0.52 6.02 -1.26 -1.34 117.38 119.83 2vxj n GLN 45 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 2vxj n GLN 45 Cb 0.06 -1.49 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 1.11 0.60 3.27 1.08 0.00 0.43 -4.40 105.19 107.28 2vxj n GLY 46 Ca 0.21 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 5.62 0.02 1.61 -1.08 0.19 -4.60 116.67 114.44 2vxj s ASP 47 Ca 0.00 -1.49 0.14 0.00 -0.52 0.00 0.00 52.55 50.68 2vxj s ASP 47 Cb 0.00 -1.98 0.58 0.00 -1.46 0.00 0.00 42.92 40.06 2vxj s ASP 47 CO 0.00 -0.53 1.43 -2.11 0.52 0.00 0.00 175.17 174.49 2vxj n ARG 48 N 4.91 0.02 0.00 4.34 1.85 -1.26 -2.67 116.66 123.84 2vxj n ARG 48 Ca -0.10 0.29 0.12 0.00 -1.00 0.00 0.00 57.85 57.17 2vxj n ARG 48 Cb 0.43 -1.53 0.18 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.56 1.33 -3.56 2.89 1.02 -1.26 -4.95 120.64 114.55 2vxj n GLU 49 Ca 0.03 -1.00 -0.36 0.00 -0.02 0.00 0.00 57.16 55.81 2vxj n GLU 49 Cb 0.15 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.36 3.42 0.43 -0.32 2.46 -1.09 -5.06 115.29 112.77 2vxj s HIS 50 Ca 0.24 0.50 -0.25 0.00 0.47 0.00 0.00 55.06 56.02 2vxj s HIS 50 Cb 0.19 -2.33 -0.08 0.00 -0.13 0.00 0.00 32.58 30.23 2vxj s HIS 50 CO 0.49 0.18 1.28 -1.25 -2.47 0.00 0.00 174.74 172.96 2vxj s PRO 51 N 0.68 3.85 -0.42 2.88 0.04 -1.26 -4.70 135.00 136.07 2vxj s PRO 51 Ca 0.14 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 2vxj s PRO 51 Cb -0.13 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2vxj s PRO 51 CO 0.04 -0.57 1.50 0.34 0.04 0.00 0.00 177.00 178.35 2vxj s ASP 52 N -0.89 6.20 -0.35 6.66 -1.08 -1.26 -4.88 116.67 121.07 2vxj s ASP 52 Ca 0.59 0.84 0.06 0.00 -0.52 0.00 0.00 52.55 53.53 2vxj s ASP 52 Cb -0.36 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.05 2vxj s ASP 52 CO 0.46 -1.54 1.49 0.00 0.52 0.00 0.00 175.17 176.09 2vxj n GLN 53 N 8.24 2.45 0.00 4.34 6.02 -1.26 -4.87 117.38 132.29 2vxj n GLN 53 Ca 0.17 -3.47 0.00 0.00 -0.01 0.00 0.00 57.00 53.69 2vxj n GLN 53 Cb 0.48 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.72 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 -0.98 0.77 3.78 1.08 0.00 -1.26 -4.98 105.19 103.60 2vxj n GLY 54 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 3.27 0.50 0.99 1.43 -1.26 -4.27 118.68 119.34 2vxj s LEU 55 Ca 0.00 1.86 0.17 0.00 -1.03 0.00 0.00 54.13 55.13 2vxj s LEU 55 Cb 0.00 -4.53 1.21 0.00 0.03 0.00 0.00 46.19 42.89 2vxj s LEU 55 CO 0.00 -1.63 2.09 0.16 0.23 0.00 0.00 176.35 177.20 2vxj h ILE 56 N -0.33 1.01 -3.68 -0.59 3.07 -1.69 -3.38 117.51 111.92 2vxj h ILE 56 Ca -0.45 -0.27 -0.63 0.00 1.55 0.00 0.00 64.86 65.05 2vxj h ILE 56 Cb 1.23 1.15 -0.38 0.00 -0.27 0.00 0.00 36.82 38.55 2vxj h ILE 56 CO 0.54 0.08 -0.78 0.00 -1.05 0.00 0.00 178.15 176.94 2vxj n HIS 58 N 4.57 0.14 -0.05 0.00 8.25 -1.26 -3.29 115.22 123.58 2vxj n HIS 58 Ca -0.10 0.05 0.10 0.00 -0.26 0.00 0.00 57.72 57.51 2vxj n HIS 58 Cb 0.43 -0.58 0.28 0.00 1.12 0.00 0.00 29.99 31.24 2vxj n HIS 58 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2vxj n ASP 59 N -1.62 3.47 -4.03 0.41 8.00 -1.26 -4.89 116.55 116.63 2vxj n ASP 59 Ca 0.05 -2.04 -0.08 0.00 0.71 0.00 0.00 54.79 53.43 2vxj n ASP 59 Cb 0.26 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.23 0.30 0.68 2.24 0.00 -1.21 -4.85 121.76 117.70 2vxj s ALA 60 Ca 0.43 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2vxj s ALA 60 Cb 0.23 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2vxj s ALA 60 CO 0.28 -0.36 1.09 -0.06 0.00 0.00 0.00 175.76 176.71 2vxj s PHE 61 N -3.47 2.73 0.19 0.00 0.08 -1.26 -4.89 117.98 111.36 2vxj s PHE 61 Ca 0.03 1.53 -0.33 0.00 0.12 0.00 0.00 56.93 58.28 2vxj s PHE 61 Cb 0.04 -3.08 -0.13 0.00 -0.57 0.00 0.00 43.02 39.28 2vxj s PHE 61 CO -0.08 -1.57 1.59 0.00 -0.10 0.00 0.00 175.22 175.06 2vxj n GLY 63 N 3.29 0.87 3.82 0.00 0.00 0.53 -0.63 105.19 113.06 2vxj n GLY 63 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.07 2.83 -0.00 4.61 0.00 -0.87 -3.43 121.76 121.83 2vxj s ALA 64 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 2vxj s ALA 64 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2vxj s ALA 64 CO 0.00 -0.68 0.86 -1.17 0.00 0.00 0.00 175.76 174.77 2vxj s LEU 65 N -4.47 4.38 0.32 0.00 2.96 -0.45 -0.40 118.68 121.03 2vxj s LEU 65 Ca 0.62 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 56.06 2vxj s LEU 65 Cb -0.14 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2vxj s LEU 65 CO 0.37 -0.16 0.10 0.68 -1.32 0.00 0.00 176.35 176.02 2vxj s VAL 66 N 0.68 0.74 0.16 1.68 -7.23 0.59 -0.56 120.40 116.46 2vxj s VAL 66 Ca 0.45 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2vxj s VAL 66 Cb -0.20 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2vxj s VAL 66 CO 0.25 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.18 2vxj s MET 67 N -3.88 1.08 0.11 4.82 0.23 0.65 -0.92 119.30 121.39 2vxj s MET 67 Ca 0.34 -1.42 0.08 0.00 -1.03 0.00 0.00 55.69 53.66 2vxj s MET 67 Cb 0.07 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2vxj s MET 67 CO 0.15 -0.35 -0.21 0.15 -2.03 0.00 0.00 175.02 172.73 2vxj s LYS 68 N -4.06 1.15 -0.23 3.16 1.02 0.07 -0.13 119.74 120.72 2vxj s LYS 68 Ca 0.26 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2vxj s LYS 68 Cb 0.06 -1.41 0.05 0.00 -0.52 0.00 0.00 37.83 36.01 2vxj s LYS 68 CO 0.04 0.33 -0.10 0.42 -0.92 0.00 0.00 175.35 175.12 2vxj s ILE 69 N -1.23 1.89 0.00 2.17 1.01 -1.26 -1.11 121.20 122.67 2vxj s ILE 69 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2vxj s ILE 69 Cb -0.10 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2vxj s ILE 69 CO 0.05 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2vxj n GLY 70 N 4.56 3.84 2.15 6.18 0.00 -0.48 -1.90 105.19 119.53 2vxj n GLY 70 Ca -0.14 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2vxj n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vxj n ASN 71 N 6.80 3.78 -4.91 1.61 3.02 -1.26 -4.92 115.26 119.38 2vxj n ASN 71 Ca 0.00 -3.50 -0.28 0.00 -0.03 0.00 0.00 54.58 50.77 2vxj n ASN 71 Cb 0.00 -0.82 0.04 0.00 -0.61 0.00 0.00 39.78 38.39 2vxj n ASN 71 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vxj s SER 72 N -1.15 5.49 1.08 6.41 1.04 -0.80 -5.08 113.70 120.69 2vxj s SER 72 Ca 0.53 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.71 2vxj s SER 72 Cb 0.45 -1.75 0.14 0.00 0.10 0.00 0.00 66.02 64.96 2vxj s SER 72 CO 0.10 -1.20 0.63 0.61 0.98 0.00 0.00 173.24 174.36 2vxj n GLY 73 N -2.76 -2.10 3.77 7.32 0.00 -1.26 -4.66 105.19 105.50 2vxj n GLY 73 Ca 0.06 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 2vxj n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vxj s THR 74 N -2.24 3.43 -0.11 2.61 -4.23 -1.26 -4.55 115.64 109.29 2vxj s THR 74 Ca 0.38 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 62.14 2vxj s THR 74 Cb -0.03 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.12 2vxj s THR 74 CO 0.28 0.14 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.74 2vxj s ILE 75 N -1.41 1.37 0.25 2.99 1.01 0.82 -4.95 121.20 121.28 2vxj s ILE 75 Ca 0.53 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 2vxj s ILE 75 Cb -0.28 -1.28 -0.12 0.00 0.01 0.00 0.00 42.46 40.78 2vxj s ILE 75 CO 0.36 0.42 1.59 -2.65 0.00 0.00 0.00 174.94 174.66 2vxj n PRO 76 N 4.36 2.54 -0.06 2.79 -0.02 -1.26 -0.25 135.00 143.09 2vxj n PRO 76 Ca -0.18 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 2vxj n PRO 76 Cb 0.51 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 2vxj n PRO 76 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2vxj n VAL 77 N 2.66 0.69 -0.41 -1.45 0.31 -0.53 -4.82 118.33 114.78 2vxj n VAL 77 Ca 0.12 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2vxj n VAL 77 Cb 0.34 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -3.08 0.00 0.25 4.52 3.02 0.27 -1.84 115.26 118.40 2vxj n ASN 78 Ca -0.22 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 2vxj n ASN 78 Cb 0.71 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.29 0.00 3.41 1.35 -1.85 -3.42 112.91 112.69 2vxj h THR 79 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2vxj h THR 79 Cb 0.00 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2vxj h THR 79 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2vxj n GLY 80 N 0.15 -1.55 3.13 5.82 0.00 -0.77 -0.03 105.19 111.95 2vxj n GLY 80 Ca 0.01 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 2.14 -0.23 0.99 1.43 -0.20 -4.92 118.68 117.88 2vxj s LEU 81 Ca 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2vxj s LEU 81 Cb 0.00 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.65 2vxj s LEU 81 CO 0.00 0.06 -0.10 0.12 0.23 0.00 0.00 176.35 176.66 2vxj s PHE 82 N -0.72 2.82 -1.27 0.29 5.36 -1.26 -1.10 117.98 122.10 2vxj s PHE 82 Ca 0.02 -1.97 -0.10 0.00 -0.96 0.00 0.00 56.93 53.92 2vxj s PHE 82 Cb -0.07 -1.77 -0.00 0.00 -0.34 0.00 0.00 43.02 40.83 2vxj s PHE 82 CO 0.01 -0.82 0.63 0.54 -1.46 0.00 0.00 175.22 174.12 2vxj n ARG 83 N 4.56 -2.49 -3.61 10.12 1.74 -1.06 -4.93 116.66 120.99 2vxj n ARG 83 Ca -0.14 0.45 -0.35 0.00 -0.77 0.00 0.00 57.85 57.03 2vxj n ARG 83 Cb 0.44 -4.38 -0.06 0.00 -1.02 0.00 0.00 32.46 27.44 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 -3.70 3.61 -0.04 -1.55 -0.00 0.48 -4.78 118.94 112.96 2vxj s TRP 84 Ca 0.22 0.77 0.05 0.00 -0.00 0.00 0.00 56.10 57.14 2vxj s TRP 84 Cb -0.08 -2.14 -0.01 0.00 -0.00 0.00 0.00 33.47 31.24 2vxj s TRP 84 CO 0.87 0.57 -0.19 0.08 -0.00 0.00 0.00 176.95 178.28 2vxj s VAL 85 N -1.30 1.54 0.58 5.86 1.01 -1.26 -1.30 120.40 125.52 2vxj s VAL 85 Ca 0.29 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2vxj s VAL 85 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2vxj s VAL 85 CO 0.16 0.44 1.04 0.00 0.00 0.00 0.00 175.10 176.74 2vxj s ALA 86 N -0.09 2.81 0.93 5.51 0.00 -1.26 -5.02 121.76 124.63 2vxj s ALA 86 Ca -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 2vxj s ALA 86 Cb -0.11 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2vxj s ALA 86 CO 0.02 -0.69 0.39 -2.30 0.00 0.00 0.00 175.76 173.19 2vxj n PRO 87 N -1.91 -0.23 -1.80 0.00 -0.02 -1.26 -4.90 135.00 124.88 2vxj n PRO 87 Ca 0.08 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2vxj n PRO 87 Cb 0.53 -1.84 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2vxj n PRO 87 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2vxj s ASN 88 N -1.95 6.34 -0.50 2.55 3.84 -1.26 -2.40 114.94 121.55 2vxj s ASN 88 Ca 0.57 3.05 0.00 0.00 0.21 0.00 0.00 52.86 56.69 2vxj s ASN 88 Cb -0.22 -2.67 0.00 0.00 -0.55 0.00 0.00 41.25 37.81 2vxj s ASN 88 CO 0.67 -0.88 0.00 0.59 -2.79 0.00 0.00 177.10 174.69 2vxj n ASN 89 N 0.51 -4.96 -4.57 -4.21 3.02 -1.26 -4.99 115.26 98.80 2vxj n ASN 89 Ca 0.01 0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 2vxj n ASN 89 Cb 0.39 -2.88 -0.10 0.00 -0.61 0.00 0.00 39.78 36.58 2vxj n ASN 89 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vxj s VAL 90 N -1.71 5.22 0.17 2.41 1.01 -1.01 -5.05 120.40 121.43 2vxj s VAL 90 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2vxj s VAL 90 Cb 0.00 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.72 2vxj s VAL 90 CO 0.00 0.06 0.54 0.00 0.00 0.00 0.00 175.10 175.71 2vxj s GLN 91 N 1.94 1.30 0.00 2.72 -2.07 -1.26 -4.73 119.66 117.55 2vxj s GLN 91 Ca 0.11 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 2vxj s GLN 91 Cb -0.16 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2vxj s GLN 91 CO 0.11 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 2vxj n GLY 92 N -0.34 0.51 3.75 2.60 0.00 0.40 -3.64 105.19 108.47 2vxj n GLY 92 Ca -0.14 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.59 3.53 -0.20 4.61 0.00 -1.26 0.67 121.76 127.52 2vxj s ALA 93 Ca 0.00 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 2vxj s ALA 93 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2vxj s ALA 93 CO 0.00 -0.59 0.73 0.42 0.00 0.00 0.00 175.76 176.32 2vxj s ILE 94 N -0.44 4.94 -0.16 0.00 1.01 -0.11 -1.39 121.20 125.06 2vxj s ILE 94 Ca 0.54 1.40 -0.02 0.00 0.00 0.00 0.00 60.65 62.56 2vxj s ILE 94 Cb -0.39 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 2vxj s ILE 94 CO 0.45 0.05 -0.07 -0.89 0.00 0.00 0.00 174.94 174.48 2vxj s THR 95 N 2.15 3.46 -0.03 2.92 2.01 -0.27 -1.29 115.64 124.59 2vxj s THR 95 Ca 0.33 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 2vxj s THR 95 Cb -0.16 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2vxj s THR 95 CO 0.11 0.49 0.42 -0.76 -0.69 0.00 0.00 174.62 174.18 2vxj s LEU 96 N 0.62 4.43 -0.03 4.42 1.43 0.07 -0.76 118.68 128.86 2vxj s LEU 96 Ca -0.04 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2vxj s LEU 96 Cb -0.15 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2vxj s LEU 96 CO 0.03 0.25 0.06 -0.63 0.23 0.00 0.00 176.35 176.29 2vxj s ILE 97 N -0.66 -0.03 0.13 -0.59 1.01 -0.09 -0.05 121.20 120.92 2vxj s ILE 97 Ca 0.24 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.68 2vxj s ILE 97 Cb -0.16 -0.11 -0.08 0.00 0.01 0.00 0.00 42.46 42.11 2vxj s ILE 97 CO 0.12 0.04 1.40 -0.47 0.00 0.00 0.00 174.94 176.03 2vxj s TYR 98 N 0.55 3.22 -0.58 3.97 5.04 -1.26 -0.30 117.35 127.99 2vxj s TYR 98 Ca -0.04 0.95 -0.27 0.00 -2.44 0.00 0.00 57.07 55.27 2vxj s TYR 98 Cb -0.06 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.58 2vxj s TYR 98 CO -0.02 -2.44 1.12 1.21 -1.34 0.00 0.00 175.55 174.09 2vxj s ASN 99 N 0.99 6.41 0.28 4.32 2.47 0.46 -4.92 114.94 124.96 2vxj s ASN 99 Ca 0.64 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.90 2vxj s ASN 99 Cb -0.38 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 36.87 2vxj s ASN 99 CO 0.32 -1.42 0.26 -0.62 -3.72 0.00 0.00 177.10 171.91 2vxj s ASP 100 N 2.94 0.92 0.10 -4.21 -1.08 -1.26 -0.35 116.67 113.73 2vxj s ASP 100 Ca 0.39 -1.54 -0.30 0.00 -0.52 0.00 0.00 52.55 50.58 2vxj s ASP 100 Cb -0.09 0.50 -0.06 0.00 -1.46 0.00 0.00 42.92 41.82 2vxj s ASP 100 CO 0.23 -1.01 1.03 -0.69 0.52 0.00 0.00 175.17 175.25 2vxj s VAL 101 N -3.70 4.37 0.51 1.11 1.01 -1.26 -1.67 120.40 120.78 2vxj s VAL 101 Ca 0.38 1.89 -0.22 0.00 0.00 0.00 0.00 61.98 64.03 2vxj s VAL 101 Cb 0.04 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 2vxj s VAL 101 CO 0.20 0.25 1.19 -2.65 0.00 0.00 0.00 175.10 174.09 2vxj n PRO 102 N 3.07 1.49 -0.08 2.72 -0.02 -1.26 -1.76 135.00 139.17 2vxj n PRO 102 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2vxj n PRO 102 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.97 2.28 0.35 -1.23 0.00 -1.26 -4.88 105.19 101.42 2vxj n GLY 103 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 1.92 0.25 2.61 -2.24 -0.72 -4.68 114.28 109.42 2vxj n THR 104 Ca 0.00 -2.01 0.12 0.00 -2.27 0.00 0.00 64.05 59.89 2vxj n THR 104 Cb 0.00 -0.17 0.16 0.00 -2.10 0.00 0.00 70.33 68.23 2vxj n THR 104 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2vxj h TYR 105 N 0.65 0.00 -0.34 4.78 -1.99 -1.90 -3.37 116.97 114.80 2vxj h TYR 105 Ca 0.00 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 2vxj h TYR 105 Cb 1.10 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.81 2vxj h TYR 105 CO 0.17 0.00 0.23 0.78 -0.00 0.00 0.00 178.16 179.34 2vxj h GLY 106 N 4.06 0.25 -2.24 3.88 0.00 -1.84 -1.90 103.07 105.28 2vxj h GLY 106 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2vxj h GLY 106 CO 0.00 0.06 0.00 1.16 0.00 0.00 0.00 176.54 177.76 2vxj n ASN 107 N -4.48 3.32 -4.82 0.19 6.94 -1.26 -4.95 115.26 110.20 2vxj n ASN 107 Ca 0.04 -2.14 -0.33 0.00 -0.02 0.00 0.00 54.58 52.13 2vxj n ASN 107 Cb 0.27 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.92 6.81 0.20 0.53 0.01 -0.71 -3.90 114.94 116.96 2vxj s ASN 108 Ca 0.38 1.70 -0.04 0.00 -0.71 0.00 0.00 52.86 54.20 2vxj s ASN 108 Cb 0.22 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 2vxj s ASN 108 CO 0.23 -0.45 0.20 -0.94 -1.51 0.00 0.00 177.10 174.63 2vxj s SER 109 N -2.31 0.11 0.13 -1.22 1.04 -0.64 -4.50 113.70 106.31 2vxj s SER 109 Ca 0.62 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2vxj s SER 109 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2vxj s SER 109 CO 0.17 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2vxj n GLY 110 N -0.28 -2.01 3.67 7.32 0.00 -1.26 -1.02 105.19 111.61 2vxj n GLY 110 Ca 0.01 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.63 -0.38 -0.03 1.61 1.04 -1.14 -1.45 113.70 109.71 2vxj s SER 111 Ca 0.00 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.12 2vxj s SER 111 Cb 0.00 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2vxj s SER 111 CO 0.00 -1.15 -0.07 -0.36 0.98 0.00 0.00 173.24 172.64 2vxj s PHE 112 N -3.79 2.90 -0.26 5.02 0.08 -0.40 -3.02 117.98 118.51 2vxj s PHE 112 Ca 0.07 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 2vxj s PHE 112 Cb -0.04 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2vxj s PHE 112 CO -0.02 0.34 0.52 0.45 -0.10 0.00 0.00 175.22 176.41 2vxj s SER 113 N -1.08 6.44 -0.07 1.36 0.15 0.41 -0.13 113.70 120.79 2vxj s SER 113 Ca 0.14 0.53 0.03 0.00 0.70 0.00 0.00 55.95 57.36 2vxj s SER 113 Cb -0.11 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2vxj s SER 113 CO 0.04 -0.28 -0.16 -0.69 1.20 0.00 0.00 173.24 173.35 2vxj s VAL 114 N 2.27 1.40 -0.11 4.45 1.01 0.19 -1.39 120.40 128.22 2vxj s VAL 114 Ca 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2vxj s VAL 114 Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2vxj s VAL 114 CO 0.09 0.41 0.01 0.20 0.00 0.00 0.00 175.10 175.81 2vxj s ASN 115 N 0.43 5.26 -0.06 3.32 0.01 -0.33 -2.22 114.94 121.35 2vxj s ASN 115 Ca -0.13 0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.15 2vxj s ASN 115 Cb -0.15 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.92 2vxj s ASN 115 CO 0.04 0.32 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.21 2vxj s ILE 116 N -0.54 1.06 0.15 0.60 1.01 0.25 -1.92 121.20 121.81 2vxj s ILE 116 Ca 0.09 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.38 2vxj s ILE 116 Cb -0.12 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2vxj s ILE 116 CO 0.02 0.34 -0.15 -0.83 0.00 0.00 0.00 174.94 174.32 2vxj s GLY 117 N 0.72 1.22 -0.08 6.18 0.00 -0.37 -0.01 107.32 114.98 2vxj s GLY 117 Ca -0.14 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.01 2vxj s GLY 117 CO 0.03 -1.47 0.43 0.54 0.00 0.00 0.00 173.10 172.63 2vxj s LYS 118 N -2.88 4.18 0.69 2.90 1.02 -1.26 -1.67 119.74 122.72 2vxj s LYS 118 Ca 0.13 0.39 -0.04 0.00 0.02 0.00 0.00 55.97 56.47 2vxj s LYS 118 Cb -0.04 -3.35 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2vxj s LYS 118 CO 0.04 0.37 0.98 -0.51 -0.92 0.00 0.00 175.35 175.31 2vxj s ASP 119 N -0.04 4.70 0.44 2.83 1.01 -0.10 -4.96 116.67 120.56 2vxj s ASP 119 Ca 0.24 0.18 -0.26 0.00 0.71 0.00 0.00 52.55 53.42 2vxj s ASP 119 Cb -0.15 -0.79 -0.09 0.00 1.01 0.00 0.00 42.92 42.90 2vxj s ASP 119 CO 0.11 -1.63 1.43 0.00 0.21 0.00 0.00 175.17 175.29 2vxj n GLN 120 N -2.83 2.30 0.00 8.23 6.02 -1.26 -4.61 117.38 125.22 2vxj n GLN 120 Ca 0.10 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2vxj n GLN 120 Cb 0.60 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.24 2vxj n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92