#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 -0.00 -0.03 0.00 -0.00 0.72 -4.97 118.94 114.66 2vxj s TRP 2 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.12 2vxj s TRP 2 Cb 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 33.47 33.47 2vxj s TRP 2 CO 0.00 -0.09 -0.00 0.21 -0.00 0.00 0.00 176.95 177.06 2vxj s LYS 3 N -0.40 0.31 0.10 5.86 2.20 -1.26 0.30 119.74 126.85 2vxj s LYS 3 Ca -0.05 0.05 -0.25 0.00 -0.36 0.00 0.00 55.97 55.36 2vxj s LYS 3 Cb -0.03 -0.47 0.09 0.00 -1.51 0.00 0.00 37.83 35.91 2vxj s LYS 3 CO 0.00 -0.11 1.14 0.20 -0.36 0.00 0.00 175.35 176.21 2vxj s GLY 4 N 0.91 -0.04 -0.12 5.54 0.00 -0.74 -5.01 107.32 107.86 2vxj s GLY 4 Ca -0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 2vxj s GLY 4 CO -0.01 3.00 0.08 1.85 0.00 0.00 0.00 173.10 178.01 2vxj s GLU 5 N -2.23 3.36 -0.34 2.90 2.12 -1.26 -0.39 118.70 122.86 2vxj s GLU 5 Ca 0.23 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 2vxj s GLU 5 Cb -0.01 -3.05 0.08 0.00 0.26 0.00 0.00 34.13 31.41 2vxj s GLU 5 CO 0.02 0.67 0.06 0.08 -0.54 0.00 0.00 175.26 175.56 2vxj s VAL 6 N -0.76 2.81 0.12 3.70 1.01 0.83 -4.92 120.40 123.20 2vxj s VAL 6 Ca 0.13 -1.85 -0.31 0.00 0.00 0.00 0.00 61.98 59.94 2vxj s VAL 6 Cb -0.12 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 2vxj s VAL 6 CO 0.03 -0.40 1.32 -0.76 0.00 0.00 0.00 175.10 175.29 2vxj s LEU 7 N 1.12 4.38 0.48 3.92 1.02 -1.26 -1.64 118.68 126.69 2vxj s LEU 7 Ca 0.02 2.27 0.21 0.00 0.02 0.00 0.00 54.13 56.65 2vxj s LEU 7 Cb -0.21 -3.59 1.23 0.00 0.02 0.00 0.00 46.19 43.65 2vxj s LEU 7 CO -0.04 -0.57 1.95 0.00 0.02 0.00 0.00 176.35 177.71 2vxj h ALA 8 N 6.41 2.33 -0.46 4.21 0.00 -1.69 -2.54 119.26 127.52 2vxj h ALA 8 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2vxj h ALA 8 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2vxj h ALA 8 CO 0.83 -0.51 0.00 0.27 0.00 0.00 0.00 179.25 179.83 2vxj n ASN 9 N -4.42 2.69 -4.40 0.00 6.94 -1.26 -4.79 115.26 110.02 2vxj n ASN 9 Ca 0.12 -1.97 -0.45 0.00 -0.02 0.00 0.00 54.58 52.27 2vxj n ASN 9 Cb 0.59 -0.31 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.11 6.65 0.35 0.53 2.47 -0.96 -4.71 114.94 118.15 2vxj s ASN 10 Ca 0.35 -2.26 0.07 0.00 0.42 0.00 0.00 52.86 51.43 2vxj s ASN 10 Cb 0.18 -2.31 0.65 0.00 -1.45 0.00 0.00 41.25 38.31 2vxj s ASN 10 CO 0.25 -0.87 1.86 -0.08 -3.72 0.00 0.00 177.10 174.54 2vxj h GLU 11 N 8.43 0.37 0.00 0.43 4.81 -1.87 -2.21 114.58 124.53 2vxj h GLU 11 Ca 0.10 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2vxj h GLU 11 Cb 1.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2vxj h GLU 11 CO 0.96 0.50 -0.17 0.00 -0.73 0.00 0.00 179.01 179.57 2vxj h ALA 12 N 1.53 1.07 0.00 2.92 0.00 -1.97 -3.49 119.26 119.32 2vxj h ALA 12 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2vxj h ALA 12 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2vxj h ALA 12 CO 0.02 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2vxj n GLY 13 N -0.07 -0.22 3.48 0.00 0.00 -0.83 -4.92 105.19 102.63 2vxj n GLY 13 Ca -0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.48 3.15 0.28 1.61 2.00 0.13 -4.90 119.66 119.45 2vxj s GLN 14 Ca 0.00 -0.89 -0.29 0.00 -2.00 0.00 0.00 55.36 52.18 2vxj s GLN 14 Cb 0.00 -3.92 -0.10 0.00 0.80 0.00 0.00 33.01 29.80 2vxj s GLN 14 CO 0.00 -0.64 1.13 0.08 -0.50 0.00 0.00 175.29 175.35 2vxj s VAL 15 N 1.69 3.42 0.47 1.34 1.01 -1.26 -0.80 120.40 126.27 2vxj s VAL 15 Ca 0.05 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.52 2vxj s VAL 15 Cb -0.18 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2vxj s VAL 15 CO 0.10 0.33 0.44 0.42 0.00 0.00 0.00 175.10 176.39 2vxj s THR 16 N -1.07 2.29 -1.70 3.92 -4.23 0.37 -4.94 115.64 110.28 2vxj s THR 16 Ca 0.45 -1.35 0.31 0.00 -1.18 0.00 0.00 61.69 59.93 2vxj s THR 16 Cb -0.33 -2.63 0.65 0.00 1.34 0.00 0.00 72.50 71.53 2vxj s THR 16 CO 0.42 0.00 2.08 -1.54 -0.54 0.00 0.00 174.62 175.04 2vxj n SER 17 N -1.70 0.11 -4.63 3.99 3.41 -1.26 -4.68 113.62 108.86 2vxj n SER 17 Ca 0.04 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.67 2vxj n SER 17 Cb 0.62 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.34 4.74 -0.38 -1.33 -1.09 -1.26 -5.00 121.20 114.54 2vxj s ILE 18 Ca 0.36 1.46 -0.14 0.00 -2.23 0.00 0.00 60.65 60.10 2vxj s ILE 18 Cb 0.21 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2vxj s ILE 18 CO 0.43 -0.25 0.27 -0.63 -1.23 0.00 0.00 174.94 173.53 2vxj s ILE 19 N 3.09 5.23 -0.15 2.92 -1.09 -1.26 -0.85 121.20 129.08 2vxj s ILE 19 Ca 0.37 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 2vxj s ILE 19 Cb -0.14 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 2vxj s ILE 19 CO 0.11 -0.17 1.27 -0.47 -1.23 0.00 0.00 174.94 174.45 2vxj s TYR 20 N 1.69 2.84 0.14 3.97 6.14 0.17 -4.90 117.35 127.40 2vxj s TYR 20 Ca 0.05 0.99 0.06 0.00 0.64 0.00 0.00 57.07 58.82 2vxj s TYR 20 Cb -0.18 -3.51 -0.04 0.00 0.42 0.00 0.00 41.96 38.64 2vxj s TYR 20 CO 0.10 -1.75 0.01 -0.80 0.64 0.00 0.00 175.55 173.74 2vxj s ASN 21 N 1.99 4.91 0.15 4.32 0.01 -1.26 -0.91 114.94 124.15 2vxj s ASN 21 Ca 0.55 -0.29 -0.34 0.00 -0.71 0.00 0.00 52.86 52.08 2vxj s ASN 21 Cb -0.22 -1.11 -0.16 0.00 0.41 0.00 0.00 41.25 40.17 2vxj s ASN 21 CO 0.16 0.13 1.24 -2.65 -1.51 0.00 0.00 177.10 174.46 2vxj n PRO 22 N 0.18 1.25 -0.64 -0.60 -0.02 -1.26 -1.00 135.00 132.90 2vxj n PRO 22 Ca -0.10 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2vxj n PRO 22 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.21 1.44 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.09 2vxj n GLY 23 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.16 6.03 -0.19 1.61 1.01 -0.17 -4.95 116.67 116.86 2vxj s ASP 24 Ca 0.00 2.75 -0.04 0.00 0.71 0.00 0.00 52.55 55.97 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 -1.05 -0.03 -0.69 0.21 0.00 0.00 175.17 173.61 2vxj s VAL 25 N -1.26 3.72 0.13 -1.27 1.01 -1.26 -4.52 120.40 116.95 2vxj s VAL 25 Ca 0.60 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2vxj s VAL 25 Cb -0.40 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2vxj s VAL 25 CO 0.51 0.45 -0.21 0.27 0.00 0.00 0.00 175.10 176.12 2vxj s ILE 26 N 0.91 1.85 -0.11 2.22 -4.36 -0.02 -0.11 121.20 121.58 2vxj s ILE 26 Ca -0.00 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 2vxj s ILE 26 Cb -0.14 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.86 2vxj s ILE 26 CO 0.01 -0.11 -0.19 -0.89 0.24 0.00 0.00 174.94 174.01 2vxj s THR 27 N -1.40 1.73 -0.11 8.37 2.01 -0.34 0.12 115.64 126.02 2vxj s THR 27 Ca 0.11 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2vxj s THR 27 Cb -0.09 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2vxj s THR 27 CO 0.05 0.49 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.67 2vxj s ILE 28 N 0.73 2.70 -0.16 1.82 1.01 -0.28 -1.07 121.20 125.96 2vxj s ILE 28 Ca -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2vxj s ILE 28 Cb -0.16 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.24 2vxj s ILE 28 CO 0.02 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 2vxj s VAL 29 N 0.25 1.65 -0.06 2.92 1.01 -0.78 -1.50 120.40 123.88 2vxj s VAL 29 Ca -0.12 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2vxj s VAL 29 Cb -0.16 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2vxj s VAL 29 CO 0.06 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 2vxj s ALA 30 N 1.46 2.64 0.07 5.51 0.00 0.47 -1.41 121.76 130.50 2vxj s ALA 30 Ca 0.05 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 2vxj s ALA 30 Cb -0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2vxj s ALA 30 CO -0.11 0.50 0.08 0.00 0.00 0.00 0.00 175.76 176.23 2vxj s ALA 31 N -0.55 0.14 0.00 0.00 0.00 -0.51 -4.74 121.76 116.10 2vxj s ALA 31 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2vxj s ALA 31 Cb -0.11 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2vxj s ALA 31 CO 0.01 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2vxj n GLY 32 N 0.08 0.63 3.08 0.00 0.00 -1.26 -0.54 105.19 107.18 2vxj n GLY 32 Ca -0.15 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.68 1.33 0.20 1.61 0.52 -1.15 -4.15 118.94 116.63 2vxj s TRP 33 Ca 0.00 -0.34 -0.13 0.00 0.02 0.00 0.00 56.10 55.66 2vxj s TRP 33 Cb 0.00 -0.90 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 2vxj s TRP 33 CO 0.00 -0.11 0.43 0.00 0.02 0.00 0.00 176.95 177.29 2vxj s ALA 34 N 0.01 -0.37 0.02 0.98 0.00 -0.36 -1.94 121.76 120.09 2vxj s ALA 34 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2vxj s ALA 34 Cb -0.09 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2vxj s ALA 34 CO 0.01 -0.77 -0.07 0.45 0.00 0.00 0.00 175.76 175.38 2vxj s SER 35 N -2.96 0.77 0.00 0.00 0.15 0.19 -0.46 113.70 111.40 2vxj s SER 35 Ca 0.17 -0.32 0.23 0.00 0.70 0.00 0.00 55.95 56.73 2vxj s SER 35 Cb 0.01 -0.02 0.81 0.00 -1.71 0.00 0.00 66.02 65.10 2vxj s SER 35 CO 0.02 -0.06 1.59 0.00 1.20 0.00 0.00 173.24 176.00 2vxj n TYR 36 N 2.23 0.15 0.00 3.44 0.18 -1.26 -1.59 117.16 120.31 2vxj n TYR 36 Ca -0.18 -0.08 0.00 0.00 1.88 0.00 0.00 57.90 59.53 2vxj n TYR 36 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 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 1.17 1.12 3.55 -7.48 0.00 -1.25 -4.52 105.19 97.78 2vxj n GLY 37 Ca 0.17 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.79 0.20 1.61 -0.02 -1.26 -4.91 135.00 129.83 2vxj n PRO 38 Ca 0.00 -0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.37 2vxj n PRO 38 Cb 0.00 -2.16 0.38 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.94 0.77 -4.26 3.45 1.35 -2.01 -3.44 112.91 106.83 2vxj h THR 39 Ca -0.47 -1.37 -0.52 0.00 -0.55 0.00 0.00 66.41 63.51 2vxj h THR 39 Cb 1.29 1.86 0.16 0.00 -1.73 0.00 0.00 68.15 69.73 2vxj h THR 39 CO 0.40 0.31 0.31 -1.58 -0.25 0.00 0.00 175.52 174.71 2vxj s GLN 40 N -3.64 1.88 0.08 4.72 0.74 -1.26 -5.07 119.66 117.11 2vxj s GLN 40 Ca 0.00 1.45 0.07 0.00 0.05 0.00 0.00 55.36 56.92 2vxj s GLN 40 Cb 0.11 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 32.35 2vxj s GLN 40 CO 0.67 -1.97 -0.17 0.15 -0.55 0.00 0.00 175.29 173.41 2vxj s LYS 41 N -4.52 0.97 0.11 1.67 1.02 -1.26 -4.58 119.74 113.15 2vxj s LYS 41 Ca 0.66 -1.04 0.05 0.00 0.02 0.00 0.00 55.97 55.66 2vxj s LYS 41 Cb -0.22 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 2vxj s LYS 41 CO 0.53 0.25 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.50 2vxj s TRP 42 N -1.21 1.28 0.76 3.18 0.51 0.39 -4.87 118.94 118.98 2vxj s TRP 42 Ca 0.02 -0.57 -0.13 0.00 -2.12 0.00 0.00 56.10 53.30 2vxj s TRP 42 Cb -0.10 -0.68 0.18 0.00 -0.81 0.00 0.00 33.47 32.06 2vxj s TRP 42 CO 0.03 0.09 0.98 0.41 -0.51 0.00 0.00 176.95 177.95 2vxj n GLY 43 N 0.62 -1.58 0.00 0.98 0.00 -1.26 -1.23 105.19 102.72 2vxj n GLY 43 Ca -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.23 0.07 0.00 1.61 -0.02 -1.26 -0.40 135.00 131.77 2vxj n PRO 44 Ca 0.12 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2vxj n PRO 44 Cb 0.44 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.25 0.30 0.00 -0.52 6.02 -1.26 -1.53 117.38 119.13 2vxj n GLN 45 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2vxj n GLN 45 Cb 0.03 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 1.42 -0.68 3.25 1.08 0.00 0.46 -4.37 105.19 106.34 2vxj n GLY 46 Ca 0.09 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 5.61 0.44 1.61 2.15 0.88 -4.64 116.67 118.72 2vxj s ASP 47 Ca 0.00 -1.61 0.30 0.00 0.43 0.00 0.00 52.55 51.68 2vxj s ASP 47 Cb 0.00 -1.98 1.55 0.00 -0.30 0.00 0.00 42.92 42.19 2vxj s ASP 47 CO 0.00 -0.56 1.92 0.08 -0.17 0.00 0.00 175.17 176.44 2vxj h ARG 48 N 8.38 0.00 -0.00 4.34 0.11 -1.86 -2.96 114.38 122.39 2vxj h ARG 48 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2vxj h ARG 48 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2vxj h ARG 48 CO 0.77 0.00 -0.52 0.39 0.10 0.00 0.00 179.97 180.71 2vxj n GLU 49 N -2.60 0.36 -3.54 0.08 -0.58 -1.26 -4.94 120.64 108.16 2vxj n GLU 49 Ca -0.01 -0.24 -0.37 0.00 -0.42 0.00 0.00 57.16 56.12 2vxj n GLU 49 Cb 0.11 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.42 2vxj n GLU 49 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2vxj s HIS 50 N -2.80 3.52 0.61 -0.32 2.46 -1.12 -5.07 115.29 112.57 2vxj s HIS 50 Ca 0.15 0.68 -0.16 0.00 0.47 0.00 0.00 55.06 56.20 2vxj s HIS 50 Cb 0.18 -2.32 -0.03 0.00 -0.13 0.00 0.00 32.58 30.28 2vxj s HIS 50 CO 0.67 0.34 1.09 -1.25 -2.47 0.00 0.00 174.74 173.12 2vxj s PRO 51 N 0.09 3.13 -0.52 2.88 0.04 -1.26 -4.70 135.00 134.65 2vxj s PRO 51 Ca 0.18 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 2vxj s PRO 51 Cb -0.14 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2vxj s PRO 51 CO 0.06 -0.99 1.00 0.34 0.04 0.00 0.00 177.00 177.46 2vxj s ASP 52 N -2.48 6.43 -0.45 6.66 -1.08 -1.26 -4.91 116.67 119.58 2vxj s ASP 52 Ca 0.67 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.68 2vxj s ASP 52 Cb -0.19 -2.47 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 2vxj s ASP 52 CO 0.36 -1.23 1.80 0.00 0.52 0.00 0.00 175.17 176.63 2vxj n GLN 53 N 7.61 2.30 0.00 4.34 6.02 -1.26 -4.79 117.38 131.59 2vxj n GLN 53 Ca 0.05 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 2vxj n GLN 53 Cb 0.48 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.62 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 -1.08 0.94 3.72 1.08 0.00 -1.26 -4.97 105.19 103.61 2vxj n GLY 54 Ca 0.54 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 2vxj n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vxj n LEU 55 N 0.00 5.65 0.31 0.99 4.77 -1.26 -4.20 117.00 123.26 2vxj n LEU 55 Ca 0.00 0.85 0.19 0.00 -0.03 0.00 0.00 56.01 57.02 2vxj n LEU 55 Cb 0.00 -1.54 0.98 0.00 -2.33 0.00 0.00 43.42 40.54 2vxj n LEU 55 CO 0.00 -1.05 1.10 0.16 -1.33 0.00 0.00 177.39 176.28 2vxj h ILE 56 N 0.67 0.21 -3.43 -0.08 3.07 -1.83 -3.37 117.51 112.75 2vxj h ILE 56 Ca -0.51 -0.19 -0.58 0.00 1.55 0.00 0.00 64.86 65.13 2vxj h ILE 56 Cb 1.34 1.15 -0.39 0.00 -0.27 0.00 0.00 36.82 38.65 2vxj h ILE 56 CO 0.53 0.03 -0.77 0.00 -1.05 0.00 0.00 178.15 176.89 2vxj n HIS 58 N 4.79 0.09 -0.42 0.00 8.25 -1.26 -2.97 115.22 123.70 2vxj n HIS 58 Ca -0.08 0.03 0.08 0.00 -0.26 0.00 0.00 57.72 57.49 2vxj n HIS 58 Cb 0.44 -0.56 0.33 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.58 4.49 -3.92 0.41 8.00 -1.26 -4.89 116.55 117.80 2vxj n ASP 59 Ca 0.04 -2.51 -0.08 0.00 0.71 0.00 0.00 54.79 52.95 2vxj n ASP 59 Cb 0.22 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.01 -0.04 0.70 2.24 0.00 -1.16 -4.81 121.76 116.68 2vxj s ALA 60 Ca 0.46 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 2vxj s ALA 60 Cb 0.31 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.87 2vxj s ALA 60 CO 0.20 -0.47 1.10 -0.06 0.00 0.00 0.00 175.76 176.53 2vxj s PHE 61 N -3.83 2.63 0.11 0.00 0.08 -1.26 -4.92 117.98 110.79 2vxj s PHE 61 Ca 0.05 1.55 -0.34 0.00 0.12 0.00 0.00 56.93 58.31 2vxj s PHE 61 Cb 0.05 -3.11 -0.14 0.00 -0.57 0.00 0.00 43.02 39.25 2vxj s PHE 61 CO -0.11 -1.70 1.62 0.00 -0.10 0.00 0.00 175.22 174.93 2vxj n GLY 63 N 3.53 0.68 3.83 0.00 0.00 0.29 -0.08 105.19 113.44 2vxj n GLY 63 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.41 2.99 0.01 4.61 0.00 -0.84 -3.34 121.76 122.78 2vxj s ALA 64 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2vxj s ALA 64 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2vxj s ALA 64 CO 0.00 -0.36 0.97 -1.17 0.00 0.00 0.00 175.76 175.20 2vxj s LEU 65 N -4.14 4.39 0.35 0.00 2.96 -0.58 -0.58 118.68 121.08 2vxj s LEU 65 Ca 0.60 1.67 0.04 0.00 -0.22 0.00 0.00 54.13 56.22 2vxj s LEU 65 Cb -0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2vxj s LEU 65 CO 0.32 -0.23 0.13 0.68 -1.32 0.00 0.00 176.35 175.93 2vxj s VAL 66 N 0.87 0.60 0.13 1.68 -7.23 -0.33 -0.80 120.40 115.32 2vxj s VAL 66 Ca 0.51 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 2vxj s VAL 66 Cb -0.21 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 2vxj s VAL 66 CO 0.28 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.23 2vxj s MET 67 N -3.78 0.99 0.01 4.82 0.23 0.64 -0.89 119.30 121.31 2vxj s MET 67 Ca 0.31 -1.26 0.08 0.00 -1.03 0.00 0.00 55.69 53.79 2vxj s MET 67 Cb 0.05 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 2vxj s MET 67 CO 0.16 -0.32 -0.24 0.15 -2.03 0.00 0.00 175.02 172.74 2vxj s LYS 68 N -3.98 1.80 -0.30 3.16 1.02 -0.19 -0.98 119.74 120.27 2vxj s LYS 68 Ca 0.18 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2vxj s LYS 68 Cb 0.06 -1.85 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 2vxj s LYS 68 CO -0.01 0.49 0.01 0.42 -0.92 0.00 0.00 175.35 175.34 2vxj s ILE 69 N -0.69 3.08 0.00 2.17 1.01 -1.26 -1.37 121.20 124.14 2vxj s ILE 69 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2vxj s ILE 69 Cb -0.09 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2vxj s ILE 69 CO 0.01 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2vxj n GLY 70 N 4.65 2.94 1.57 6.18 0.00 -0.56 -1.77 105.19 118.19 2vxj n GLY 70 Ca -0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 2.63 3.61 -4.70 1.61 3.02 -1.26 -4.93 115.26 115.25 2vxj n ASN 71 Ca 0.00 -2.79 -0.30 0.00 -0.03 0.00 0.00 54.58 51.46 2vxj n ASN 71 Cb 0.00 -0.66 0.14 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.41 3.37 1.12 6.41 1.04 -0.73 -5.06 113.70 119.45 2vxj s SER 72 Ca 0.33 1.74 -0.19 0.00 0.48 0.00 0.00 55.95 58.31 2vxj s SER 72 Cb 0.27 -2.37 0.26 0.00 0.10 0.00 0.00 66.02 64.29 2vxj s SER 72 CO 0.08 -2.74 1.21 -0.83 0.98 0.00 0.00 173.24 171.94 2vxj s GLY 73 N -3.16 1.68 0.55 7.32 0.00 -1.26 -4.68 107.32 107.78 2vxj s GLY 73 Ca 0.64 -1.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.03 2vxj s GLY 73 CO 0.58 -0.27 1.15 -0.51 0.00 0.00 0.00 173.10 174.05 2vxj s THR 74 N -3.41 3.04 -0.05 0.90 -4.23 -1.26 -4.57 115.64 106.06 2vxj s THR 74 Ca 0.73 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.89 2vxj s THR 74 Cb -0.06 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.54 2vxj s THR 74 CO 0.55 -0.13 0.01 -0.63 -0.54 0.00 0.00 174.62 173.88 2vxj s ILE 75 N -1.72 0.21 0.26 2.99 1.01 -0.15 -4.96 121.20 118.84 2vxj s ILE 75 Ca 0.73 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 61.24 2vxj s ILE 75 Cb -0.26 -0.36 -0.13 0.00 0.01 0.00 0.00 42.46 41.73 2vxj s ILE 75 CO 0.29 0.20 1.48 -2.65 0.00 0.00 0.00 174.94 174.26 2vxj n PRO 76 N 4.76 2.30 -0.06 2.79 -0.02 -1.26 -0.26 135.00 143.24 2vxj n PRO 76 Ca -0.14 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 2vxj n PRO 76 Cb 0.50 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 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 1.98 0.66 0.00 -1.45 0.31 -0.36 -4.84 118.33 114.63 2vxj n VAL 77 Ca 0.10 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2vxj n VAL 77 Cb 0.34 -1.46 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 -3.36 0.00 0.15 4.52 3.02 0.02 -1.69 115.26 117.92 2vxj n ASN 78 Ca -0.23 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.45 2vxj n ASN 78 Cb 0.68 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.33 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 -1.85 -3.42 112.91 112.40 2vxj h THR 79 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2vxj h THR 79 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 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 0.43 0.10 2.84 5.82 0.00 -0.68 -0.39 105.19 113.31 2vxj n GLY 80 Ca 0.03 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 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 1.46 -0.28 0.99 1.43 -0.56 -4.93 118.68 116.79 2vxj s LEU 81 Ca 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2vxj s LEU 81 Cb 0.00 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2vxj s LEU 81 CO 0.00 -0.06 0.05 0.12 0.23 0.00 0.00 176.35 176.69 2vxj s PHE 82 N 0.63 3.13 -1.30 0.29 5.36 -1.26 -1.12 117.98 123.71 2vxj s PHE 82 Ca -0.06 -1.07 -0.19 0.00 -0.96 0.00 0.00 56.93 54.65 2vxj s PHE 82 Cb -0.09 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2vxj s PHE 82 CO -0.01 -0.60 0.53 0.54 -1.46 0.00 0.00 175.22 174.22 2vxj n ARG 83 N 4.83 -1.15 -3.58 10.12 1.74 -1.03 -4.89 116.66 122.70 2vxj n ARG 83 Ca -0.15 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 2vxj n ARG 83 Cb 0.48 -3.45 -0.06 0.00 -1.02 0.00 0.00 32.46 28.41 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 -3.76 3.70 -0.15 -1.55 -0.00 0.12 -4.74 118.94 112.56 2vxj s TRP 84 Ca 0.31 0.90 0.02 0.00 -0.00 0.00 0.00 56.10 57.32 2vxj s TRP 84 Cb -0.15 -2.22 0.01 0.00 -0.00 0.00 0.00 33.47 31.12 2vxj s TRP 84 CO 0.94 0.66 -0.20 0.08 -0.00 0.00 0.00 176.95 178.43 2vxj s VAL 85 N -1.08 1.98 0.72 5.86 1.01 -1.26 -0.84 120.40 126.80 2vxj s VAL 85 Ca 0.22 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 2vxj s VAL 85 Cb -0.16 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.48 2vxj s VAL 85 CO 0.12 0.53 1.16 0.00 0.00 0.00 0.00 175.10 176.90 2vxj s ALA 86 N 1.00 2.21 0.73 5.51 0.00 -1.26 -5.00 121.76 124.95 2vxj s ALA 86 Ca -0.03 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 2vxj s ALA 86 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2vxj s ALA 86 CO -0.06 -1.71 0.52 -0.35 0.00 0.00 0.00 175.76 174.17 2vxj n PRO 87 N -2.78 0.28 -1.62 0.00 -0.04 -1.26 -4.89 135.00 124.69 2vxj n PRO 87 Ca 0.12 0.13 -0.48 0.00 -0.04 0.00 0.00 63.50 63.24 2vxj n PRO 87 Cb 0.51 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 2vxj n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vxj n ASN 88 N -0.32 2.04 -0.98 3.54 3.02 -1.26 -2.56 115.26 118.74 2vxj n ASN 88 Ca 0.10 1.13 -0.11 0.00 -0.03 0.00 0.00 54.58 55.67 2vxj n ASN 88 Cb 0.50 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 2vxj n ASN 88 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2vxj n ASN 89 N 2.31 -3.96 -4.62 6.41 4.13 -1.26 -5.01 115.26 113.25 2vxj n ASN 89 Ca 0.15 0.15 -0.36 0.00 1.68 0.00 0.00 54.58 56.20 2vxj n ASN 89 Cb 0.26 -2.73 -0.10 0.00 -1.54 0.00 0.00 39.78 35.67 2vxj n ASN 89 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2vxj s VAL 90 N -2.45 5.01 0.15 2.41 1.01 -1.06 -5.04 120.40 120.44 2vxj s VAL 90 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 2vxj s VAL 90 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.13 2vxj s VAL 90 CO 0.00 0.38 0.73 0.00 0.00 0.00 0.00 175.10 176.21 2vxj s GLN 91 N 0.89 1.29 0.00 2.72 -2.07 -1.26 -4.68 119.66 116.56 2vxj s GLN 91 Ca 0.06 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 2vxj s GLN 91 Cb -0.13 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 2vxj s GLN 91 CO 0.03 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 2vxj n GLY 92 N -0.38 0.51 3.77 2.60 0.00 -0.09 -3.37 105.19 108.23 2vxj n GLY 92 Ca -0.11 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.58 3.33 -0.19 4.61 0.00 -1.26 -0.66 121.76 126.00 2vxj s ALA 93 Ca 0.00 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 2vxj s ALA 93 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2vxj s ALA 93 CO 0.00 -0.78 0.61 0.42 0.00 0.00 0.00 175.76 176.01 2vxj s ILE 94 N -1.23 5.04 -0.15 0.00 1.01 -0.03 -1.49 121.20 124.35 2vxj s ILE 94 Ca 0.55 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 62.33 2vxj s ILE 94 Cb -0.39 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2vxj s ILE 94 CO 0.50 0.13 -0.07 -0.89 0.00 0.00 0.00 174.94 174.61 2vxj s THR 95 N 1.81 3.55 -0.11 2.92 2.01 -0.47 -0.48 115.64 124.87 2vxj s THR 95 Ca 0.28 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 2vxj s THR 95 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2vxj s THR 95 CO 0.10 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 173.92 2vxj s LEU 96 N 0.42 4.39 -0.04 4.42 1.43 0.02 -1.02 118.68 128.29 2vxj s LEU 96 Ca -0.06 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 2vxj s LEU 96 Cb -0.15 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2vxj s LEU 96 CO 0.04 0.40 0.11 -0.63 0.23 0.00 0.00 176.35 176.49 2vxj s ILE 97 N -1.05 -0.02 0.17 -0.59 1.01 -0.07 0.19 121.20 120.84 2vxj s ILE 97 Ca 0.16 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2vxj s ILE 97 Cb -0.12 -0.17 -0.08 0.00 0.01 0.00 0.00 42.46 42.10 2vxj s ILE 97 CO 0.05 0.03 1.24 -0.47 0.00 0.00 0.00 174.94 175.79 2vxj s TYR 98 N 0.48 3.37 -0.41 3.97 5.04 -1.26 -1.18 117.35 127.35 2vxj s TYR 98 Ca -0.04 1.32 -0.28 0.00 -2.44 0.00 0.00 57.07 55.64 2vxj s TYR 98 Cb -0.05 -3.49 0.02 0.00 0.35 0.00 0.00 41.96 38.79 2vxj s TYR 98 CO -0.02 -1.47 1.07 1.21 -1.34 0.00 0.00 175.55 175.00 2vxj s ASN 99 N 0.35 6.72 0.37 4.32 2.47 0.26 -4.91 114.94 124.50 2vxj s ASN 99 Ca 0.55 0.63 -0.06 0.00 0.42 0.00 0.00 52.86 54.40 2vxj s ASN 99 Cb -0.34 -2.53 0.03 0.00 -1.45 0.00 0.00 41.25 36.96 2vxj s ASN 99 CO 0.36 -1.07 0.59 -0.67 -3.72 0.00 0.00 177.10 172.58 2vxj n ASP 100 N 7.36 -1.67 -4.74 -4.21 -0.08 -1.26 -0.55 116.55 111.39 2vxj n ASP 100 Ca 0.11 -2.79 -0.39 0.00 -1.51 0.00 0.00 54.79 50.20 2vxj n ASP 100 Cb 0.48 2.97 -0.05 0.00 2.34 0.00 0.00 41.12 46.86 2vxj n ASP 100 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2vxj s VAL 101 N -2.58 4.95 0.32 5.18 1.01 -1.26 -2.27 120.40 125.75 2vxj s VAL 101 Ca 0.25 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.28 2vxj s VAL 101 Cb -0.02 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 2vxj s VAL 101 CO 0.18 0.36 1.09 -2.65 0.00 0.00 0.00 175.10 174.07 2vxj n PRO 102 N 3.12 1.57 -0.94 2.72 -0.02 -1.26 -1.19 135.00 139.00 2vxj n PRO 102 Ca -0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2vxj n PRO 102 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.09 1.08 0.07 -1.23 0.00 -1.26 -4.88 105.19 100.05 2vxj n GLY 103 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 1.73 0.43 2.61 -2.24 -0.34 -4.70 114.28 109.77 2vxj n THR 104 Ca 0.00 -2.05 0.13 0.00 -2.27 0.00 0.00 64.05 59.86 2vxj n THR 104 Cb 0.00 -0.12 0.36 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.00 0.00 0.00 4.78 -1.99 -1.90 -3.36 116.97 114.50 2vxj h TYR 105 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2vxj h TYR 105 Cb 0.93 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.66 2vxj h TYR 105 CO 0.00 0.00 -0.06 0.78 -0.00 0.00 0.00 178.16 178.88 2vxj h GLY 106 N 3.83 0.00 -3.01 3.88 0.00 -1.84 -1.61 103.07 104.33 2vxj h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vxj h GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2vxj n ASN 107 N -3.27 4.91 -4.89 0.19 6.94 -1.26 -4.99 115.26 112.90 2vxj n ASN 107 Ca -0.01 -2.62 -0.29 0.00 -0.02 0.00 0.00 54.58 51.64 2vxj n ASN 107 Cb 0.26 -0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 37.07 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 -0.98 6.39 0.15 0.53 0.01 -0.60 -3.76 114.94 116.69 2vxj s ASN 108 Ca 0.50 1.04 -0.11 0.00 -0.71 0.00 0.00 52.86 53.58 2vxj s ASN 108 Cb 0.35 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.72 2vxj s ASN 108 CO 0.20 -0.49 0.32 -0.94 -1.51 0.00 0.00 177.10 174.68 2vxj s SER 109 N -3.63 -0.02 0.01 -1.22 1.04 -0.62 -4.48 113.70 104.78 2vxj s SER 109 Ca 0.49 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2vxj s SER 109 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2vxj s SER 109 CO 0.38 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2vxj n GLY 110 N -0.21 -2.15 3.66 7.32 0.00 -1.26 -0.64 105.19 111.91 2vxj n GLY 110 Ca -0.10 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.46 -0.27 -0.05 1.61 1.04 -0.82 -2.10 113.70 109.65 2vxj s SER 111 Ca 0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2vxj s SER 111 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 2vxj s SER 111 CO 0.00 -0.84 -0.12 -0.36 0.98 0.00 0.00 173.24 172.91 2vxj s PHE 112 N -3.29 2.79 -0.18 5.02 0.08 -0.65 -2.92 117.98 118.82 2vxj s PHE 112 Ca 0.09 -0.09 -0.13 0.00 0.12 0.00 0.00 56.93 56.92 2vxj s PHE 112 Cb -0.01 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2vxj s PHE 112 CO -0.02 0.24 0.24 0.45 -0.10 0.00 0.00 175.22 176.03 2vxj s SER 113 N -0.79 6.35 -0.04 1.36 0.15 0.30 -0.12 113.70 120.90 2vxj s SER 113 Ca 0.12 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.19 2vxj s SER 113 Cb -0.11 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.06 2vxj s SER 113 CO 0.01 0.12 -0.10 -0.69 1.20 0.00 0.00 173.24 173.78 2vxj s VAL 114 N 0.50 0.90 -0.15 4.45 1.01 0.47 -1.43 120.40 126.15 2vxj s VAL 114 Ca 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2vxj s VAL 114 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2vxj s VAL 114 CO 0.02 0.29 0.00 0.20 0.00 0.00 0.00 175.10 175.61 2vxj s ASN 115 N 0.48 5.13 -0.08 3.32 0.01 -0.50 -1.80 114.94 121.51 2vxj s ASN 115 Ca -0.09 -0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.09 2vxj s ASN 115 Cb -0.12 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2vxj s ASN 115 CO 0.02 0.21 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.99 2vxj s ILE 116 N 0.13 1.66 0.11 0.60 1.01 0.15 -1.86 121.20 123.00 2vxj s ILE 116 Ca 0.01 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2vxj s ILE 116 Cb -0.13 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2vxj s ILE 116 CO 0.02 0.47 -0.14 -0.83 0.00 0.00 0.00 174.94 174.46 2vxj s GLY 117 N 0.34 1.03 -0.09 6.18 0.00 -0.23 -0.20 107.32 114.35 2vxj s GLY 117 Ca -0.14 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 2vxj s GLY 117 CO 0.06 -1.29 0.57 0.54 0.00 0.00 0.00 173.10 172.97 2vxj s LYS 118 N -2.53 4.37 0.66 2.90 1.02 -1.26 -1.20 119.74 123.71 2vxj s LYS 118 Ca 0.07 0.63 -0.04 0.00 0.02 0.00 0.00 55.97 56.65 2vxj s LYS 118 Cb -0.06 -3.43 0.06 0.00 -0.52 0.00 0.00 37.83 33.88 2vxj s LYS 118 CO 0.03 0.14 0.94 -0.51 -0.92 0.00 0.00 175.35 175.03 2vxj s ASP 119 N 0.62 4.87 0.52 2.83 1.01 0.85 -4.95 116.67 122.41 2vxj s ASP 119 Ca 0.31 0.22 -0.21 0.00 0.71 0.00 0.00 52.55 53.57 2vxj s ASP 119 Cb -0.16 -0.90 -0.06 0.00 1.01 0.00 0.00 42.92 42.81 2vxj s ASP 119 CO 0.14 -1.51 1.18 -1.10 0.21 0.00 0.00 175.17 174.09 2vxj s GLN 120 N -5.09 3.43 0.00 8.23 -0.21 -1.26 -4.53 119.66 120.22 2vxj s GLN 120 Ca 0.60 1.78 0.00 0.00 0.02 0.00 0.00 55.36 57.76 2vxj s GLN 120 Cb -0.10 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2vxj s GLN 120 CO 0.43 -0.83 0.00 -1.13 -2.12 0.00 0.00 175.29 171.64