#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngj s ASP 2 N 0.00 4.30 0.09 6.12 1.47 -1.26 -5.01 116.67 122.38 3ngj s ASP 2 Ca 0.00 -1.60 -0.18 0.00 1.18 0.00 0.00 52.55 51.95 3ngj s ASP 2 Cb 0.00 0.67 -0.07 0.00 -0.34 0.00 0.00 42.92 43.17 3ngj s ASP 2 CO 0.00 -1.00 1.56 0.50 0.68 0.00 0.00 175.17 176.91 3ngj h LYS 3 N 1.10 0.43 -0.71 2.11 3.64 -1.99 -1.23 116.57 119.93 3ngj h LYS 3 Ca -0.42 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 3ngj h LYS 3 Cb 1.32 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 3ngj h LYS 3 CO 0.68 0.55 0.20 0.00 -2.27 0.00 0.00 179.45 178.62 3ngj h ALA 4 N 0.86 1.02 -0.29 5.00 0.00 -1.97 -0.33 119.26 123.55 3ngj h ALA 4 Ca 0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ngj h ALA 4 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ngj h ALA 4 CO 0.01 0.65 -0.23 1.15 0.00 0.00 0.00 179.25 180.82 3ngj h THR 5 N 1.06 1.30 -0.49 0.00 2.02 -1.95 -2.93 112.91 111.92 3ngj h THR 5 Ca 0.23 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 3ngj h THR 5 Cb 0.32 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3ngj h THR 5 CO -0.00 0.44 -0.09 0.25 0.37 0.00 0.00 175.52 176.49 3ngj h LEU 6 N 0.41 0.86 -1.54 2.58 5.85 -1.05 -2.65 115.31 119.78 3ngj h LEU 6 Ca 0.05 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3ngj h LEU 6 Cb 0.79 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3ngj h LEU 6 CO 0.06 0.97 0.40 0.00 -0.34 0.00 0.00 178.44 179.54 3ngj h ALA 7 N 1.11 1.85 -0.00 1.25 0.00 -0.97 -0.41 119.26 122.08 3ngj h ALA 7 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ngj h ALA 7 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ngj h ALA 7 CO 0.04 0.05 -0.00 1.63 0.00 0.00 0.00 179.25 180.97 3ngj n LYS 8 N -4.48 0.99 0.16 0.00 4.76 -1.00 -1.72 118.16 116.87 3ngj n LYS 8 Ca 0.09 -0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.62 3ngj n LYS 8 Cb 0.26 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.20 3ngj n LYS 8 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3ngj h TYR 9 N 0.08 0.00 -3.52 2.13 -1.99 -1.11 -3.39 116.97 109.18 3ngj h TYR 9 Ca 0.00 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.11 3ngj h TYR 9 Cb 0.04 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.62 3ngj h TYR 9 CO 0.00 0.00 -0.50 0.42 -0.00 0.00 0.00 178.16 178.08 3ngj s ILE 10 N -3.18 5.36 -0.44 -2.88 1.01 -0.70 -0.13 121.20 120.24 3ngj s ILE 10 Ca 0.08 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.72 3ngj s ILE 10 Cb 0.08 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.09 3ngj s ILE 10 CO 0.65 0.36 0.54 -1.81 0.00 0.00 0.00 174.94 174.68 3ngj s ASP 11 N 0.92 6.25 -0.47 3.58 1.01 0.34 -1.16 116.67 127.14 3ngj s ASP 11 Ca 0.08 -0.58 -0.28 0.00 0.71 0.00 0.00 52.55 52.48 3ngj s ASP 11 Cb -0.13 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3ngj s ASP 11 CO 0.03 -0.69 1.05 -2.28 0.21 0.00 0.00 175.17 173.49 3ngj s HIS 12 N 2.44 2.87 -0.08 4.23 2.46 -0.31 -2.64 115.29 124.26 3ngj s HIS 12 Ca 0.16 0.60 0.03 0.00 0.47 0.00 0.00 55.06 56.32 3ngj s HIS 12 Cb -0.16 -4.23 -0.02 0.00 -0.13 0.00 0.00 32.58 28.03 3ngj s HIS 12 CO 0.15 -1.19 -0.15 0.99 -2.47 0.00 0.00 174.74 172.07 3ngj s THR 13 N 4.16 2.96 -0.15 0.89 2.01 -0.50 -1.28 115.64 123.73 3ngj s THR 13 Ca 0.44 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3ngj s THR 13 Cb -0.08 -2.18 0.06 0.00 0.01 0.00 0.00 72.50 70.31 3ngj s THR 13 CO 0.29 0.57 0.13 -0.22 -0.69 0.00 0.00 174.62 174.69 3ngj s LEU 14 N -0.29 0.16 0.00 4.42 2.96 -0.62 -4.38 118.68 120.92 3ngj s LEU 14 Ca 0.02 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3ngj s LEU 14 Cb -0.13 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.54 3ngj s LEU 14 CO 0.03 -0.32 0.84 0.18 -1.32 0.00 0.00 176.35 175.76 3ngj n LEU 15 N 5.30 1.37 -4.77 -0.68 4.77 -1.26 -4.22 117.00 117.50 3ngj n LEU 15 Ca -0.06 -1.37 -0.40 0.00 -0.03 0.00 0.00 56.01 54.15 3ngj n LEU 15 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ngj n LEU 15 CO 0.08 0.34 1.04 -0.54 -1.33 0.00 0.00 177.39 176.98 3ngj s LYS 16 N -0.68 4.07 0.55 3.23 -0.14 -1.26 -4.87 119.74 120.64 3ngj s LYS 16 Ca 0.00 2.35 0.24 0.00 -1.36 0.00 0.00 55.97 57.19 3ngj s LYS 16 Cb 0.00 -2.89 1.47 0.00 -1.68 0.00 0.00 37.83 34.72 3ngj s LYS 16 CO 0.00 -0.47 2.10 0.00 -0.76 0.00 0.00 175.35 176.22 3ngj h ALA 17 N 2.92 2.05 -0.43 5.17 0.00 -2.05 -2.00 119.26 124.92 3ngj h ALA 17 Ca -0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ngj h ALA 17 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3ngj h ALA 17 CO 0.64 -0.28 0.03 -0.40 0.00 0.00 0.00 179.25 179.23 3ngj n ASP 18 N -4.22 4.63 -4.77 0.00 5.75 -1.26 -4.99 116.55 111.68 3ngj n ASP 18 Ca 0.02 -3.04 -0.41 0.00 -0.01 0.00 0.00 54.79 51.35 3ngj n ASP 18 Cb 0.31 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 3ngj n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ngj s ALA 19 N -2.85 3.45 0.26 2.12 0.00 -0.75 -5.00 121.76 118.99 3ngj s ALA 19 Ca 0.48 1.54 0.07 0.00 0.00 0.00 0.00 51.96 54.06 3ngj s ALA 19 Cb 0.38 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3ngj s ALA 19 CO 0.12 -1.13 0.20 0.95 0.00 0.00 0.00 175.76 175.90 3ngj s THR 20 N -1.15 4.28 0.25 0.00 -4.23 -1.26 -5.00 115.64 108.53 3ngj s THR 20 Ca 0.56 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 3ngj s THR 20 Cb -0.46 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 70.25 3ngj s THR 20 CO 0.61 -0.33 1.76 -0.08 -0.54 0.00 0.00 174.62 176.04 3ngj h GLU 21 N 1.47 0.56 -0.59 3.99 4.81 -1.99 -0.67 114.58 122.17 3ngj h GLU 21 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3ngj h GLU 21 Cb 1.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3ngj h GLU 21 CO 0.60 0.37 0.38 0.93 -0.73 0.00 0.00 179.01 180.57 3ngj h GLU 22 N 0.58 0.79 -0.60 1.92 3.07 -1.99 -0.44 114.58 117.91 3ngj h GLU 22 Ca 0.42 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.13 3ngj h GLU 22 Cb 0.56 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3ngj h GLU 22 CO -0.34 0.53 0.03 1.96 -1.40 0.00 0.00 179.01 179.79 3ngj h GLN 23 N 0.80 1.03 -0.48 2.33 4.20 -1.75 -1.75 115.11 119.49 3ngj h GLN 23 Ca 0.22 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 3ngj h GLN 23 Cb -0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3ngj h GLN 23 CO -0.04 0.99 -0.19 0.82 -0.67 0.00 0.00 178.83 179.73 3ngj h ILE 24 N 0.95 1.27 -0.81 2.54 1.08 -0.84 -0.22 117.51 121.48 3ngj h ILE 24 Ca 0.18 -1.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.27 3ngj h ILE 24 Cb 0.51 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 3ngj h ILE 24 CO 0.02 0.47 0.40 0.03 -0.69 0.00 0.00 178.15 178.38 3ngj h ARG 25 N 0.84 1.15 -0.46 2.37 3.08 -0.94 -1.62 114.38 118.80 3ngj h ARG 25 Ca 0.12 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3ngj h ARG 25 Cb 0.76 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3ngj h ARG 25 CO 0.06 0.88 -0.09 0.87 -1.07 0.00 0.00 179.97 180.62 3ngj h LYS 26 N 1.15 0.88 -0.33 0.04 1.57 -1.04 -0.46 116.57 118.38 3ngj h LYS 26 Ca 0.28 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3ngj h LYS 26 Cb 0.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3ngj h LYS 26 CO -0.04 0.96 0.06 1.25 -0.57 0.00 0.00 179.45 181.12 3ngj h LEU 27 N 0.72 -0.00 -0.42 2.94 5.85 -0.81 0.08 115.31 123.67 3ngj h LEU 27 Ca 0.12 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ngj h LEU 27 Cb 0.63 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3ngj h LEU 27 CO 0.04 0.04 0.12 0.00 -0.34 0.00 0.00 178.44 178.30 3ngj h SER 29 N 0.55 0.08 -0.52 0.00 0.87 -0.80 -1.20 113.55 112.53 3ngj h SER 29 Ca 0.14 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3ngj h SER 29 Cb 0.28 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ngj h SER 29 CO -0.00 0.08 0.26 -0.33 -0.53 0.00 0.00 176.83 176.31 3ngj h GLU 30 N 0.25 0.74 -0.64 2.24 5.08 -0.85 -1.18 114.58 120.21 3ngj h GLU 30 Ca 0.18 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3ngj h GLU 30 Cb 0.19 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3ngj h GLU 30 CO -0.21 0.60 0.13 0.00 -1.00 0.00 0.00 179.01 178.52 3ngj h ALA 31 N 1.10 0.85 -0.61 3.43 0.00 -0.78 -0.06 119.26 123.19 3ngj h ALA 31 Ca 0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ngj h ALA 31 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ngj h ALA 31 CO -0.02 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.85 3ngj h ALA 32 N 1.04 0.92 -0.12 0.00 0.00 -1.12 0.23 119.26 120.20 3ngj h ALA 32 Ca 0.20 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ngj h ALA 32 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ngj h ALA 32 CO 0.01 0.65 -0.15 1.49 0.00 0.00 0.00 179.25 181.25 3ngj h GLU 33 N 0.95 0.32 -0.00 0.00 4.57 -0.80 -3.21 114.58 116.41 3ngj h GLU 33 Ca 0.18 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ngj h GLU 33 Cb 0.50 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3ngj h GLU 33 CO 0.02 0.74 -0.23 0.66 -1.18 0.00 0.00 179.01 179.03 3ngj n TYR 34 N -4.57 0.00 -3.45 0.92 4.02 -0.07 -4.96 117.16 109.05 3ngj n TYR 34 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.65 3ngj n TYR 34 Cb 0.37 -0.24 0.09 0.00 -0.02 0.00 0.00 39.34 39.53 3ngj n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3ngj n LYS 35 N -1.14 -6.78 -1.02 -0.72 5.02 0.74 -4.86 118.16 109.39 3ngj n LYS 35 Ca 0.10 0.85 -0.30 0.00 -2.02 0.00 0.00 58.31 56.94 3ngj n LYS 35 Cb 0.32 -5.87 0.15 0.00 -0.02 0.00 0.00 35.03 29.61 3ngj n LYS 35 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3ngj s PHE 36 N -3.35 2.10 0.18 2.13 0.08 -0.87 -4.12 117.98 114.12 3ngj s PHE 36 Ca 0.07 1.43 -0.13 0.00 0.12 0.00 0.00 56.93 58.42 3ngj s PHE 36 Cb -0.03 -3.17 0.09 0.00 -0.57 0.00 0.00 43.02 39.34 3ngj s PHE 36 CO 0.73 -2.54 1.84 0.00 -0.10 0.00 0.00 175.22 175.14 3ngj h ALA 37 N -1.66 0.74 -2.85 5.36 0.00 -0.71 -3.42 119.26 116.72 3ngj h ALA 37 Ca -0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3ngj h ALA 37 Cb 1.27 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3ngj h ALA 37 CO 0.50 0.20 -0.03 -1.12 0.00 0.00 0.00 179.25 178.80 3ngj s SER 38 N -5.77 -0.17 0.03 0.00 0.01 -1.16 -1.69 113.70 104.95 3ngj s SER 38 Ca -0.13 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.44 3ngj s SER 38 Cb 0.13 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 3ngj s SER 38 CO 0.76 -1.11 0.10 0.68 0.41 0.00 0.00 173.24 174.08 3ngj s VAL 39 N -3.94 4.78 -0.21 3.43 -7.23 -0.48 -1.16 120.40 115.59 3ngj s VAL 39 Ca 0.15 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 3ngj s VAL 39 Cb -0.01 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.72 3ngj s VAL 39 CO 0.03 0.26 -0.16 0.00 -0.31 0.00 0.00 175.10 174.92 3ngj s VAL 41 N 1.25 0.45 0.68 0.00 -7.23 -0.83 -1.59 120.40 113.12 3ngj s VAL 41 Ca 0.01 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3ngj s VAL 41 Cb -0.15 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.60 3ngj s VAL 41 CO -0.10 -0.38 1.09 0.20 -0.31 0.00 0.00 175.10 175.60 3ngj s ASN 42 N -3.16 5.13 0.54 4.85 0.01 -1.26 -3.52 114.94 117.53 3ngj s ASN 42 Ca 0.27 1.85 0.23 0.00 -0.71 0.00 0.00 52.86 54.50 3ngj s ASN 42 Cb 0.07 -2.53 1.40 0.00 0.41 0.00 0.00 41.25 40.60 3ngj s ASN 42 CO 0.05 -1.62 2.05 -0.65 -1.51 0.00 0.00 177.10 175.43 3ngj h PRO 43 N -0.32 0.00 0.00 -0.60 0.11 -1.96 -1.51 132.00 127.72 3ngj h PRO 43 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ngj h PRO 43 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ngj h PRO 43 CO 0.54 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.32 3ngj h THR 44 N 0.00 0.80 -0.15 -1.15 1.03 -1.97 -2.56 112.91 108.90 3ngj h THR 44 Ca 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.50 3ngj h THR 44 Cb 0.65 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3ngj h THR 44 CO -0.00 0.01 0.00 0.79 -0.01 0.00 0.00 175.52 176.31 3ngj n TRP 45 N -4.21 0.18 0.02 0.00 7.02 -0.57 -4.52 117.44 115.37 3ngj n TRP 45 Ca -0.03 -0.09 -0.11 0.00 -1.02 0.00 0.00 57.50 56.25 3ngj n TRP 45 Cb 0.10 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 3ngj n TRP 45 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3ngj h VAL 46 N 3.47 0.89 -0.52 -0.99 2.07 -1.56 -1.87 116.25 117.75 3ngj h VAL 46 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3ngj h VAL 46 Cb 0.75 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3ngj h VAL 46 CO 0.00 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 177.21 3ngj h PRO 47 N -0.03 0.52 -0.22 1.57 0.11 -1.79 0.93 132.00 133.07 3ngj h PRO 47 Ca 0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3ngj h PRO 47 Cb 0.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3ngj h PRO 47 CO -0.08 0.34 0.11 1.25 -0.21 0.00 0.00 178.00 179.41 3ngj h LEU 48 N 0.53 0.29 -1.00 2.35 5.85 -1.84 -1.67 115.31 119.83 3ngj h LEU 48 Ca 0.22 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ngj h LEU 48 Cb 0.11 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3ngj h LEU 48 CO -0.15 0.33 0.25 0.00 -0.34 0.00 0.00 178.44 178.54 3ngj h ALA 50 N 1.32 0.74 -0.21 0.00 0.00 -0.51 -0.35 119.26 120.25 3ngj h ALA 50 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ngj h ALA 50 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ngj h ALA 50 CO -0.02 0.25 0.04 1.49 0.00 0.00 0.00 179.25 181.01 3ngj h GLU 51 N 0.78 0.34 -0.08 0.00 4.81 -0.89 -2.91 114.58 116.64 3ngj h GLU 51 Ca 0.21 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3ngj h GLU 51 Cb 0.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3ngj h GLU 51 CO -0.03 0.48 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.24 3ngj h LEU 52 N 0.14 0.17 -1.80 1.64 3.38 -0.72 -3.15 115.31 114.98 3ngj h LEU 52 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ngj h LEU 52 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ngj h LEU 52 CO 0.00 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.29 3ngj n LEU 53 N -4.03 2.73 -4.67 1.67 4.77 -0.18 -4.94 117.00 112.36 3ngj n LEU 53 Ca -0.02 -1.07 -0.57 0.00 -0.03 0.00 0.00 56.01 54.33 3ngj n LEU 53 Cb 0.47 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3ngj n LEU 53 CO 0.41 0.53 1.16 0.29 -1.33 0.00 0.00 177.39 178.46 3ngj n LYS 54 N 1.06 1.05 -1.00 3.23 4.76 -1.10 -1.91 118.16 124.25 3ngj n LYS 54 Ca 0.17 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 3ngj n LYS 54 Cb 0.52 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3ngj n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ngj n GLY 55 N 3.59 0.40 0.06 0.72 0.00 -1.26 -4.87 105.19 103.82 3ngj n GLY 55 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3ngj n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngj n THR 56 N -2.75 0.33 -0.66 2.61 -2.24 -0.80 -4.96 114.28 105.81 3ngj n THR 56 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3ngj n THR 56 Cb 0.11 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3ngj n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ngj n GLY 57 N 1.24 1.09 3.72 3.38 0.00 -1.26 -4.98 105.19 108.38 3ngj n GLY 57 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3ngj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ngj s VAL 58 N -3.43 5.24 0.42 1.61 1.01 -1.26 -4.91 120.40 119.08 3ngj s VAL 58 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 3ngj s VAL 58 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3ngj s VAL 58 CO 0.00 0.35 0.86 -0.54 0.00 0.00 0.00 175.10 175.78 3ngj s LYS 59 N 0.57 3.99 -0.30 2.72 -0.14 -0.68 -4.87 119.74 121.03 3ngj s LYS 59 Ca 0.21 0.81 -0.16 0.00 -1.36 0.00 0.00 55.97 55.47 3ngj s LYS 59 Cb -0.14 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 3ngj s LYS 59 CO 0.07 -0.05 0.44 0.08 -0.76 0.00 0.00 175.35 175.13 3ngj s VAL 60 N -2.30 5.11 -0.01 3.17 1.01 -1.26 -1.38 120.40 124.74 3ngj s VAL 60 Ca 0.57 0.49 0.03 0.00 0.00 0.00 0.00 61.98 63.07 3ngj s VAL 60 Cb -0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ngj s VAL 60 CO 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 175.10 175.27 3ngj s THR 62 N -0.97 0.21 0.07 0.00 -1.32 -0.63 -1.97 115.64 111.03 3ngj s THR 62 Ca 0.16 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.72 3ngj s THR 62 Cb -0.11 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 3ngj s THR 62 CO 0.07 0.00 -0.16 0.68 -2.21 0.00 0.00 174.62 172.99 3ngj s VAL 63 N -3.89 2.93 -0.06 5.08 -7.23 -1.23 -0.28 120.40 115.71 3ngj s VAL 63 Ca 0.38 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3ngj s VAL 63 Cb 0.07 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3ngj s VAL 63 CO 0.15 0.24 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.42 3ngj s ILE 64 N -1.03 1.08 -1.45 -0.62 -1.09 -0.00 -4.44 121.20 113.64 3ngj s ILE 64 Ca 0.17 -0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 3ngj s ILE 64 Cb -0.11 -0.98 0.03 0.00 -1.58 0.00 0.00 42.46 39.83 3ngj s ILE 64 CO 0.08 0.34 0.94 0.61 -1.23 0.00 0.00 174.94 175.68 3ngj n GLY 65 N 3.71 -0.53 3.50 6.18 0.00 -1.26 -1.78 105.19 115.01 3ngj n GLY 65 Ca -0.22 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3ngj n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ngj s PHE 66 N -3.25 2.76 -2.78 1.61 5.36 -1.26 0.02 117.98 120.44 3ngj s PHE 66 Ca 0.53 -0.14 0.25 0.00 -0.96 0.00 0.00 56.93 56.60 3ngj s PHE 66 Cb -0.25 -1.66 0.45 0.00 -0.34 0.00 0.00 43.02 41.22 3ngj s PHE 66 CO 0.65 0.20 1.41 -0.35 -1.46 0.00 0.00 175.22 175.67 3ngj n PRO 67 N 2.35 2.17 0.05 10.12 -0.04 -1.26 -4.90 135.00 143.49 3ngj n PRO 67 Ca -0.17 -1.71 0.04 0.00 -0.04 0.00 0.00 63.50 61.62 3ngj n PRO 67 Cb 0.52 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 3ngj n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ngj n LEU 68 N 1.04 0.82 -0.52 1.53 4.77 -1.23 -4.96 117.00 118.45 3ngj n LEU 68 Ca 0.16 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 3ngj n LEU 68 Cb 0.53 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3ngj n LEU 68 CO 0.15 0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.79 3ngj n GLY 69 N 1.32 0.77 2.60 -0.72 0.00 0.10 -4.72 105.19 104.55 3ngj n GLY 69 Ca -0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3ngj n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngj n ALA 70 N 1.13 5.73 -2.70 4.61 0.00 -1.26 -3.58 120.51 124.42 3ngj n ALA 70 Ca -0.07 -4.14 -0.13 0.00 0.00 0.00 0.00 53.44 49.10 3ngj n ALA 70 Cb 0.42 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 3ngj n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ngj s THR 71 N -5.23 0.63 0.74 0.00 -1.32 -1.26 -5.14 115.64 104.06 3ngj s THR 71 Ca 0.51 -1.28 -0.15 0.00 -1.21 0.00 0.00 61.69 59.55 3ngj s THR 71 Cb 0.42 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 3ngj s THR 71 CO -0.25 -0.47 1.17 -2.65 -2.21 0.00 0.00 174.62 170.21 3ngj n PRO 72 N 1.12 0.56 -0.28 7.08 -0.02 -1.26 -4.75 135.00 137.45 3ngj n PRO 72 Ca -0.20 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 3ngj n PRO 72 Cb 0.56 -2.41 0.29 0.00 -0.02 0.00 0.00 33.50 31.92 3ngj n PRO 72 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ngj h SER 73 N -0.29 0.81 0.11 2.55 0.02 -1.97 -1.03 113.55 113.74 3ngj h SER 73 Ca -0.48 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3ngj h SER 73 Cb 1.32 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3ngj h SER 73 CO 0.48 0.49 -0.14 1.05 -1.14 0.00 0.00 176.83 177.57 3ngj h GLU 74 N 0.90 0.08 -0.10 3.45 9.09 -1.96 -0.30 114.58 125.73 3ngj h GLU 74 Ca 0.40 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.71 3ngj h GLU 74 Cb 0.36 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3ngj h GLU 74 CO -0.17 0.22 -0.29 0.28 0.05 0.00 0.00 179.01 179.10 3ngj h VAL 75 N 0.07 1.40 -0.83 -1.06 2.07 -1.55 -1.44 116.25 114.91 3ngj h VAL 75 Ca 0.01 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 65.95 3ngj h VAL 75 Cb 0.30 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 3ngj h VAL 75 CO 0.02 0.47 0.53 0.11 0.02 0.00 0.00 177.57 178.72 3ngj h LYS 76 N -0.07 0.98 -0.57 1.57 1.57 -1.14 -0.64 116.57 118.27 3ngj h LYS 76 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3ngj h LYS 76 Cb 0.91 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 3ngj h LYS 76 CO 0.06 0.65 0.23 0.00 -0.57 0.00 0.00 179.45 179.82 3ngj h ALA 77 N 1.36 0.75 -0.34 3.86 0.00 -1.04 -1.23 119.26 122.61 3ngj h ALA 77 Ca 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ngj h ALA 77 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ngj h ALA 77 CO -0.13 0.36 -0.04 -0.92 0.00 0.00 0.00 179.25 178.52 3ngj h TYR 78 N 0.79 0.70 -0.99 0.00 3.20 -0.72 -0.18 116.97 119.77 3ngj h TYR 78 Ca 0.19 -0.14 0.07 0.00 3.14 0.00 0.00 58.73 61.99 3ngj h TYR 78 Cb 0.21 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 3ngj h TYR 78 CO 0.01 0.77 0.64 1.49 -1.64 0.00 0.00 178.16 179.43 3ngj h GLU 79 N 0.42 1.12 -0.11 1.82 4.81 -1.03 -1.17 114.58 120.44 3ngj h GLU 79 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3ngj h GLU 79 Cb 0.52 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ngj h GLU 79 CO 0.03 0.74 0.03 1.15 -0.73 0.00 0.00 179.01 180.23 3ngj h THR 80 N 1.15 1.18 -0.53 0.32 2.02 -0.93 -1.10 112.91 115.03 3ngj h THR 80 Ca 0.43 -0.57 0.05 0.00 0.77 0.00 0.00 66.41 67.10 3ngj h THR 80 Cb 0.19 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3ngj h THR 80 CO -0.18 0.16 0.26 0.11 0.37 0.00 0.00 175.52 176.25 3ngj h LYS 81 N -0.02 0.50 -0.26 6.66 6.56 -0.57 -1.29 116.57 128.14 3ngj h LYS 81 Ca 0.03 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 3ngj h LYS 81 Cb 0.23 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 3ngj h LYS 81 CO -0.00 0.33 0.10 0.28 -2.06 0.00 0.00 179.45 178.09 3ngj h VAL 82 N 0.51 1.18 -0.39 0.50 2.07 -1.16 -1.64 116.25 117.32 3ngj h VAL 82 Ca 0.24 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3ngj h VAL 82 Cb 0.16 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3ngj h VAL 82 CO -0.17 0.19 0.15 0.00 0.02 0.00 0.00 177.57 177.76 3ngj h ALA 83 N 0.93 0.47 -0.48 1.67 0.00 -0.89 0.51 119.26 121.48 3ngj h ALA 83 Ca 0.09 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3ngj h ALA 83 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ngj h ALA 83 CO -0.01 -0.23 -0.10 0.28 0.00 0.00 0.00 179.25 179.19 3ngj h VAL 84 N 0.32 1.27 -0.47 0.00 2.07 -1.16 -0.31 116.25 117.97 3ngj h VAL 84 Ca 0.18 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.50 3ngj h VAL 84 Cb 0.14 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ngj h VAL 84 CO -0.17 0.42 0.31 -0.33 0.02 0.00 0.00 177.57 177.83 3ngj h GLU 85 N 0.76 0.52 -0.00 1.57 5.08 -0.99 -2.03 114.58 119.50 3ngj h GLU 85 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ngj h GLU 85 Cb 0.65 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ngj h GLU 85 CO 0.04 0.35 -0.13 1.04 -1.00 0.00 0.00 179.01 179.31 3ngj n GLN 86 N -4.47 0.34 0.00 2.33 6.02 0.14 -4.91 117.38 116.82 3ngj n GLN 86 Ca 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3ngj n GLN 86 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3ngj n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ngj n GLY 87 N 1.38 1.38 3.74 1.08 0.00 -0.64 -3.95 105.19 108.19 3ngj n GLY 87 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ngj n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngj s ALA 88 N -2.00 3.70 -0.51 4.61 0.00 -0.22 -4.70 121.76 122.64 3ngj s ALA 88 Ca 0.00 1.44 0.16 0.00 0.00 0.00 0.00 51.96 53.56 3ngj s ALA 88 Cb 0.00 -3.61 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 3ngj s ALA 88 CO 0.00 -0.85 0.57 0.39 0.00 0.00 0.00 175.76 175.87 3ngj n GLU 89 N 2.48 1.38 -3.82 0.00 1.02 0.10 -4.52 120.64 117.29 3ngj n GLU 89 Ca 0.08 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3ngj n GLU 89 Cb 0.39 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.41 3ngj n GLU 89 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3ngj s GLU 90 N -2.69 0.32 -0.04 3.49 2.02 -0.99 -1.84 118.70 118.97 3ngj s GLU 90 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.10 3ngj s GLU 90 Cb 0.11 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3ngj s GLU 90 CO 0.66 -0.06 -0.13 0.14 0.02 0.00 0.00 175.26 175.88 3ngj s VAL 91 N -0.39 1.14 -0.35 2.63 -7.23 -0.16 -1.61 120.40 114.42 3ngj s VAL 91 Ca -0.05 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 3ngj s VAL 91 Cb -0.03 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.99 3ngj s VAL 91 CO 0.01 0.34 0.09 -1.81 -0.31 0.00 0.00 175.10 173.42 3ngj s ASP 92 N 0.20 5.00 0.32 4.85 1.11 0.61 -0.26 116.67 128.50 3ngj s ASP 92 Ca -0.05 -1.78 -0.02 0.00 0.18 0.00 0.00 52.55 50.88 3ngj s ASP 92 Cb -0.11 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.10 3ngj s ASP 92 CO 0.02 -0.40 0.54 0.00 1.18 0.00 0.00 175.17 176.51 3ngj s MET 93 N 1.13 3.54 -0.14 8.23 0.23 0.07 -0.82 119.30 131.53 3ngj s MET 93 Ca 0.04 -0.20 -0.06 0.00 -1.03 0.00 0.00 55.69 54.44 3ngj s MET 93 Cb -0.21 -2.67 -0.04 0.00 -1.53 0.00 0.00 34.83 30.39 3ngj s MET 93 CO -0.04 0.19 0.05 0.08 -2.03 0.00 0.00 175.02 173.27 3ngj s VAL 94 N -2.20 4.75 0.85 5.16 1.01 -0.73 0.00 120.40 129.24 3ngj s VAL 94 Ca 0.41 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 3ngj s VAL 94 Cb -0.10 -3.09 0.11 0.00 0.00 0.00 0.00 36.38 33.30 3ngj s VAL 94 CO 0.34 0.53 1.14 0.27 0.00 0.00 0.00 175.10 177.37 3ngj s ILE 95 N -0.23 2.44 -0.81 2.22 -4.36 -0.87 -4.50 121.20 115.09 3ngj s ILE 95 Ca 0.08 0.15 -0.23 0.00 -0.26 0.00 0.00 60.65 60.39 3ngj s ILE 95 Cb -0.12 -2.36 0.07 0.00 1.25 0.00 0.00 42.46 41.31 3ngj s ILE 95 CO 0.01 -0.18 1.16 0.21 0.24 0.00 0.00 174.94 176.39 3ngj s ASN 96 N -2.80 6.35 0.35 4.36 3.84 -1.24 -4.28 114.94 121.52 3ngj s ASN 96 Ca 0.66 -1.23 0.06 0.00 0.21 0.00 0.00 52.86 52.56 3ngj s ASN 96 Cb -0.22 -2.47 0.65 0.00 -0.55 0.00 0.00 41.25 38.66 3ngj s ASN 96 CO 0.56 -1.44 1.86 0.40 -2.79 0.00 0.00 177.10 175.69 3ngj h ILE 97 N 6.11 1.20 -0.74 -5.21 2.04 -1.84 -2.32 117.51 116.75 3ngj h ILE 97 Ca -0.08 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 64.97 3ngj h ILE 97 Cb 1.04 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3ngj h ILE 97 CO 1.23 0.28 0.49 1.23 0.00 0.00 0.00 178.15 181.38 3ngj h GLY 98 N 0.84 0.97 0.96 5.37 0.00 -1.94 -0.77 103.07 108.51 3ngj h GLY 98 Ca 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3ngj h GLY 98 CO 0.02 0.21 0.15 -0.33 0.00 0.00 0.00 176.54 176.59 3ngj h MET 99 N 0.74 0.74 -0.31 4.80 2.86 -1.77 -2.19 114.93 119.79 3ngj h MET 99 Ca 0.33 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3ngj h MET 99 Cb 0.32 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3ngj h MET 99 CO -0.11 0.70 0.20 0.28 1.06 0.00 0.00 176.91 179.04 3ngj h VAL 100 N 0.64 1.06 0.00 -2.22 2.07 -1.17 -0.30 116.25 116.33 3ngj h VAL 100 Ca 0.15 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3ngj h VAL 100 Cb 0.27 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ngj h VAL 100 CO -0.01 0.07 -0.19 0.11 0.02 0.00 0.00 177.57 177.58 3ngj h LYS 101 N 0.41 0.00 -0.08 1.57 1.79 -1.05 -0.85 116.57 118.35 3ngj h LYS 101 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3ngj h LYS 101 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3ngj h LYS 101 CO -0.04 0.19 0.00 0.00 -1.08 0.00 0.00 179.45 178.52 3ngj n ALA 102 N -2.36 2.57 -2.93 3.86 0.00 -0.84 -4.93 120.51 115.89 3ngj n ALA 102 Ca -0.02 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 3ngj n ALA 102 Cb 0.28 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.54 3ngj n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ngj n LYS 103 N -0.20 -3.39 -2.41 0.00 5.02 -0.33 -4.90 118.16 111.96 3ngj n LYS 103 Ca 0.16 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 3ngj n LYS 103 Cb 0.21 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 3ngj n LYS 103 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ngj n LYS 104 N -3.52 4.12 0.17 1.97 5.02 -0.17 -4.78 118.16 120.98 3ngj n LYS 104 Ca -0.10 -3.79 0.05 0.00 -2.02 0.00 0.00 58.31 52.45 3ngj n LYS 104 Cb 0.60 -2.75 0.21 0.00 -0.02 0.00 0.00 35.03 33.07 3ngj n LYS 104 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3ngj h TYR 105 N 5.34 0.00 -0.27 2.13 0.05 -1.91 -0.77 116.97 121.54 3ngj h TYR 105 Ca 0.43 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.12 3ngj h TYR 105 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3ngj h TYR 105 CO 1.28 0.40 -0.22 -0.44 -1.05 0.00 0.00 178.16 178.13 3ngj h ASP 106 N 0.00 0.50 -0.29 3.88 3.32 -1.98 -0.25 116.42 121.61 3ngj h ASP 106 Ca -0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 3ngj h ASP 106 Cb 1.11 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 3ngj h ASP 106 CO 0.05 0.73 -0.43 0.44 -1.72 0.00 0.00 179.24 178.31 3ngj h ASP 107 N 0.45 0.87 -0.47 6.45 3.32 -1.82 0.05 116.42 125.28 3ngj h ASP 107 Ca 0.07 -0.51 0.07 0.00 0.02 0.00 0.00 57.03 56.68 3ngj h ASP 107 Cb 0.63 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3ngj h ASP 107 CO 0.04 1.21 0.10 0.58 -1.72 0.00 0.00 179.24 179.46 3ngj h VAL 108 N 0.56 0.76 -0.56 -1.35 2.07 -0.99 -0.42 116.25 116.31 3ngj h VAL 108 Ca 0.03 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ngj h VAL 108 Cb 1.02 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3ngj h VAL 108 CO 0.10 0.04 0.23 -0.08 0.02 0.00 0.00 177.57 177.88 3ngj h GLU 109 N 0.24 0.84 -0.70 1.57 4.81 -0.89 -1.85 114.58 118.60 3ngj h GLU 109 Ca 0.23 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3ngj h GLU 109 Cb 0.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3ngj h GLU 109 CO -0.29 0.72 0.34 0.87 -0.73 0.00 0.00 179.01 179.92 3ngj h LYS 110 N 0.77 1.00 -0.20 1.92 1.57 -0.69 0.44 116.57 121.37 3ngj h LYS 110 Ca 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3ngj h LYS 110 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ngj h LYS 110 CO -0.02 0.76 0.09 0.22 -0.57 0.00 0.00 179.45 179.94 3ngj h ASP 111 N 0.99 0.28 -0.33 0.86 3.58 -0.61 -0.70 116.42 120.49 3ngj h ASP 111 Ca 0.24 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3ngj h ASP 111 Cb 0.09 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3ngj h ASP 111 CO -0.03 0.35 0.17 0.58 -2.88 0.00 0.00 179.24 177.42 3ngj h VAL 112 N 0.19 1.15 -0.49 2.25 2.07 -1.06 -2.81 116.25 117.55 3ngj h VAL 112 Ca 0.07 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3ngj h VAL 112 Cb 0.15 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3ngj h VAL 112 CO -0.01 0.15 0.32 0.50 0.02 0.00 0.00 177.57 178.56 3ngj h LYS 113 N 0.40 0.52 -0.79 1.57 1.63 -0.69 -0.28 116.57 118.94 3ngj h LYS 113 Ca 0.11 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3ngj h LYS 113 Cb 0.09 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3ngj h LYS 113 CO -0.02 0.35 0.49 0.00 -3.45 0.00 0.00 179.45 176.82 3ngj h ALA 114 N 1.72 1.00 -0.15 5.00 0.00 -0.86 0.18 119.26 126.15 3ngj h ALA 114 Ca 0.20 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3ngj h ALA 114 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ngj h ALA 114 CO -0.05 0.45 -0.46 0.28 0.00 0.00 0.00 179.25 179.46 3ngj h VAL 115 N 1.07 1.34 -0.31 0.00 2.07 -1.29 -2.18 116.25 116.95 3ngj h VAL 115 Ca 0.28 -1.73 0.06 0.00 0.82 0.00 0.00 66.70 66.13 3ngj h VAL 115 Cb -0.07 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3ngj h VAL 115 CO -0.06 0.53 -0.07 0.58 0.02 0.00 0.00 177.57 178.58 3ngj h VAL 116 N 0.23 0.70 -0.80 2.57 2.07 -0.86 0.23 116.25 120.39 3ngj h VAL 116 Ca -0.01 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ngj h VAL 116 Cb 1.09 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3ngj h VAL 116 CO 0.10 0.00 0.42 0.44 0.02 0.00 0.00 177.57 178.55 3ngj h ASP 117 N 0.01 1.01 0.83 0.57 3.32 -0.99 -2.50 116.42 118.67 3ngj h ASP 117 Ca 0.15 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3ngj h ASP 117 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ngj h ASP 117 CO -0.31 0.83 -0.23 0.00 -1.72 0.00 0.00 179.24 177.81 3ngj h ALA 118 N 1.22 1.06 0.00 3.45 0.00 -0.76 -3.24 119.26 120.99 3ngj h ALA 118 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ngj h ALA 118 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ngj h ALA 118 CO -0.04 0.29 -0.19 0.66 0.00 0.00 0.00 179.25 179.97 3ngj h SER 119 N 0.00 0.00 0.00 0.00 4.64 -0.09 -3.38 113.55 114.72 3ngj h SER 119 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ngj h SER 119 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ngj h SER 119 CO 0.03 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3ngj n GLY 120 N -0.28 3.51 0.20 -0.77 0.00 -1.23 -1.25 105.19 105.37 3ngj n GLY 120 Ca -0.01 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3ngj n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ngj h LYS 121 N 0.00 0.00 -6.95 1.61 1.57 -1.95 -3.44 116.57 107.41 3ngj h LYS 121 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3ngj h LYS 121 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 3ngj h LYS 121 CO 0.00 0.00 0.42 0.00 -0.57 0.00 0.00 179.45 179.30 3ngj s ALA 122 N -3.44 3.10 0.40 3.86 0.00 -0.38 -5.02 121.76 120.28 3ngj s ALA 122 Ca 0.04 0.71 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 3ngj s ALA 122 Cb 0.09 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 3ngj s ALA 122 CO 0.51 -0.22 1.03 -1.17 0.00 0.00 0.00 175.76 175.91 3ngj s LEU 123 N -2.59 4.12 -0.16 0.00 0.20 -0.77 -4.81 118.68 114.68 3ngj s LEU 123 Ca 0.57 1.99 -0.03 0.00 0.69 0.00 0.00 54.13 57.36 3ngj s LEU 123 Cb -0.23 -4.23 -0.02 0.00 -0.43 0.00 0.00 46.19 41.29 3ngj s LEU 123 CO 0.28 -0.48 -0.07 -0.89 -0.29 0.00 0.00 176.35 174.91 3ngj s THR 124 N -1.71 3.57 0.02 3.68 2.01 -1.26 -0.99 115.64 120.95 3ngj s THR 124 Ca 0.58 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3ngj s THR 124 Cb -0.20 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3ngj s THR 124 CO 0.26 0.49 -0.09 -0.54 -0.69 0.00 0.00 174.62 174.05 3ngj s LYS 125 N 0.50 2.45 -0.25 4.92 1.02 0.64 -1.86 119.74 127.15 3ngj s LYS 125 Ca -0.05 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.18 3ngj s LYS 125 Cb -0.15 -2.44 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 3ngj s LYS 125 CO 0.03 0.58 -0.12 0.08 -0.92 0.00 0.00 175.35 175.01 3ngj s VAL 126 N -1.01 2.12 -0.30 3.17 1.01 -0.27 -0.75 120.40 124.36 3ngj s VAL 126 Ca 0.17 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 3ngj s VAL 126 Cb -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ngj s VAL 126 CO 0.08 0.04 1.26 -0.63 0.00 0.00 0.00 175.10 175.84 3ngj s ILE 127 N 1.14 4.21 -0.93 2.22 1.01 0.10 -0.03 121.20 128.93 3ngj s ILE 127 Ca -0.07 1.38 0.24 0.00 0.00 0.00 0.00 60.65 62.20 3ngj s ILE 127 Cb -0.19 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 3ngj s ILE 127 CO -0.06 -0.46 1.31 2.30 0.00 0.00 0.00 174.94 178.03 3ngj n ILE 128 N 6.11 0.05 -3.45 2.92 -5.35 -0.36 -2.04 119.36 117.23 3ngj n ILE 128 Ca 0.14 -0.05 -0.17 0.00 -0.27 0.00 0.00 62.75 62.40 3ngj n ILE 128 Cb 0.47 0.30 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 3ngj n ILE 128 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3ngj n GLU 129 N -1.60 -1.41 -0.20 6.28 4.07 -0.90 -4.84 120.64 122.04 3ngj n GLU 129 Ca 0.05 0.94 0.21 0.00 -0.06 0.00 0.00 57.16 58.30 3ngj n GLU 129 Cb 0.35 -4.37 0.57 0.00 -0.06 0.00 0.00 31.44 27.94 3ngj n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ngj n TYR 132 N -3.64 0.18 -4.20 0.00 4.01 -0.74 -4.95 117.16 107.82 3ngj n TYR 132 Ca -0.02 -0.09 -0.30 0.00 -0.16 0.00 0.00 57.90 57.33 3ngj n TYR 132 Cb 0.14 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.08 3ngj n TYR 132 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ngj s LEU 133 N -1.76 3.22 0.78 7.72 1.43 -0.58 -5.10 118.68 124.38 3ngj s LEU 133 Ca 0.31 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3ngj s LEU 133 Cb 0.20 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3ngj s LEU 133 CO 0.30 0.18 1.12 0.42 0.23 0.00 0.00 176.35 178.60 3ngj s THR 134 N -1.24 2.91 0.25 5.49 -4.23 -1.26 -4.88 115.64 112.67 3ngj s THR 134 Ca 0.23 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3ngj s THR 134 Cb -0.11 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.74 3ngj s THR 134 CO 0.15 -0.39 1.84 0.78 -0.54 0.00 0.00 174.62 176.47 3ngj h ASN 135 N -0.98 1.02 -0.89 3.99 2.35 -2.00 -0.96 115.58 118.11 3ngj h ASN 135 Ca -0.47 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.16 3ngj h ASN 135 Cb 1.28 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 3ngj h ASN 135 CO 0.62 0.87 0.54 -0.33 -1.65 0.00 0.00 177.43 177.48 3ngj h GLU 136 N 1.11 1.22 -0.38 0.81 5.08 -2.00 -2.01 114.58 118.41 3ngj h GLU 136 Ca 0.27 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3ngj h GLU 136 Cb 0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ngj h GLU 136 CO -0.03 0.85 -0.03 0.93 -1.00 0.00 0.00 179.01 179.73 3ngj h GLU 137 N 1.24 0.69 -0.52 2.33 5.08 -1.80 -1.62 114.58 119.99 3ngj h GLU 137 Ca 0.32 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3ngj h GLU 137 Cb -0.05 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3ngj h GLU 137 CO -0.06 0.81 0.23 0.87 -1.00 0.00 0.00 179.01 179.85 3ngj h LYS 138 N 0.51 0.42 0.15 2.33 1.57 -0.83 0.36 116.57 121.08 3ngj h LYS 138 Ca 0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3ngj h LYS 138 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ngj h LYS 138 CO 0.02 0.28 -0.07 0.28 -0.57 0.00 0.00 179.45 179.39 3ngj h VAL 139 N 0.44 0.91 -0.36 0.50 2.07 -1.28 -0.91 116.25 117.62 3ngj h VAL 139 Ca 0.24 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3ngj h VAL 139 Cb 0.21 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ngj h VAL 139 CO -0.21 0.06 0.22 -0.08 0.02 0.00 0.00 177.57 177.58 3ngj h GLU 140 N -0.32 0.48 -0.53 1.57 4.57 -1.04 -1.76 114.58 117.55 3ngj h GLU 140 Ca -0.02 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3ngj h GLU 140 Cb 0.25 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3ngj h GLU 140 CO 0.03 0.36 0.34 0.28 -1.18 0.00 0.00 179.01 178.84 3ngj h VAL 141 N 0.47 1.11 -0.87 0.32 2.07 -0.86 -1.96 116.25 116.53 3ngj h VAL 141 Ca 0.13 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3ngj h VAL 141 Cb -0.00 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 3ngj h VAL 141 CO -0.02 0.13 0.55 0.00 0.02 0.00 0.00 177.57 178.24 3ngj h LYS 143 N 1.05 1.00 -0.20 0.00 1.57 -0.87 -2.25 116.57 116.87 3ngj h LYS 143 Ca 0.36 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3ngj h LYS 143 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3ngj h LYS 143 CO -0.14 0.66 -0.41 0.00 -0.57 0.00 0.00 179.45 178.99 3ngj h ARG 144 N 1.03 0.46 -0.72 3.15 2.47 -0.55 -0.56 114.38 119.66 3ngj h ARG 144 Ca 0.34 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3ngj h ARG 144 Cb 0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3ngj h ARG 144 CO -0.12 0.79 0.37 0.00 0.56 0.00 0.00 179.97 181.57 3ngj h VAL 146 N 0.99 1.24 -0.70 0.00 2.07 -1.12 -2.00 116.25 116.73 3ngj h VAL 146 Ca 0.25 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3ngj h VAL 146 Cb 0.07 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3ngj h VAL 146 CO -0.04 0.28 0.46 0.00 0.02 0.00 0.00 177.57 178.30 3ngj h ALA 147 N 0.90 1.58 0.00 1.67 0.00 -0.71 -2.11 119.26 120.59 3ngj h ALA 147 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ngj h ALA 147 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ngj h ALA 147 CO 0.01 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 3ngj n ALA 148 N -2.44 2.63 -0.22 0.00 0.00 -0.18 -4.94 120.51 115.37 3ngj n ALA 148 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ngj n ALA 148 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3ngj n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ngj n GLY 149 N 1.49 0.88 3.76 0.00 0.00 -0.79 -4.58 105.19 105.95 3ngj n GLY 149 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3ngj n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngj s ALA 150 N -2.00 3.46 0.17 4.61 0.00 -0.81 -4.95 121.76 122.24 3ngj s ALA 150 Ca 0.00 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 3ngj s ALA 150 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3ngj s ALA 150 CO 0.00 -0.41 1.40 0.93 0.00 0.00 0.00 175.76 177.67 3ngj h GLU 151 N 4.12 0.35 -5.85 0.00 3.07 -1.72 -3.43 114.58 111.10 3ngj h GLU 151 Ca -0.47 -0.32 -0.51 0.00 -0.50 0.00 0.00 59.36 57.56 3ngj h GLU 151 Cb 1.22 0.08 -0.23 0.00 -0.84 0.00 0.00 28.75 28.98 3ngj h GLU 151 CO 0.69 0.99 -0.81 0.71 -1.40 0.00 0.00 179.01 179.18 3ngj s TYR 152 N -3.45 1.59 0.05 4.33 2.02 -0.78 -0.83 117.35 120.29 3ngj s TYR 152 Ca -0.05 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 3ngj s TYR 152 Cb 0.10 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 3ngj s TYR 152 CO 0.84 0.13 -0.09 0.14 -1.57 0.00 0.00 175.55 175.00 3ngj s VAL 153 N -1.07 3.45 -0.01 0.71 -7.23 -0.12 -1.12 120.40 115.01 3ngj s VAL 153 Ca 0.04 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 3ngj s VAL 153 Cb -0.09 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 3ngj s VAL 153 CO 0.03 0.26 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.25 3ngj s LYS 154 N -1.77 0.69 0.13 4.82 2.20 0.96 -0.93 119.74 125.84 3ngj s LYS 154 Ca 0.19 -0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.35 3ngj s LYS 154 Cb -0.11 -0.67 -0.02 0.00 -1.51 0.00 0.00 37.83 35.53 3ngj s LYS 154 CO 0.10 0.17 1.63 1.79 -0.36 0.00 0.00 175.35 178.68 3ngj h THR 155 N 5.00 1.23 -2.73 3.43 1.35 -1.48 -0.94 112.91 118.77 3ngj h THR 155 Ca -0.31 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 3ngj h THR 155 Cb 1.18 0.99 -0.15 0.00 -1.73 0.00 0.00 68.15 68.44 3ngj h THR 155 CO 0.50 0.27 0.13 -0.44 -0.25 0.00 0.00 175.52 175.73 3ngj s SER 156 N -5.99 -0.53 0.13 5.36 0.01 -1.26 -0.80 113.70 110.62 3ngj s SER 156 Ca -0.13 0.19 0.12 0.00 1.31 0.00 0.00 55.95 57.45 3ngj s SER 156 Cb 0.10 0.54 -0.11 0.00 0.21 0.00 0.00 66.02 66.76 3ngj s SER 156 CO 0.77 -0.80 1.14 0.71 0.41 0.00 0.00 173.24 175.46 3ngj h THR 157 N 2.49 1.05 0.00 1.44 1.35 -1.91 -3.44 112.91 113.89 3ngj h THR 157 Ca -0.31 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 3ngj h THR 157 Cb 1.24 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3ngj h THR 157 CO 0.40 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 3ngj n GLY 158 N 1.35 1.39 0.18 5.82 0.00 -1.26 -4.87 105.19 107.80 3ngj n GLY 158 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3ngj n GLY 158 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ngj n PHE 159 N -2.00 0.00 -1.25 1.61 3.01 -1.26 -4.98 117.46 112.58 3ngj n PHE 159 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3ngj n PHE 159 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3ngj n PHE 159 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ngj n GLY 160 N 1.38 -0.39 0.21 1.37 0.00 -1.26 -4.99 105.19 101.51 3ngj n GLY 160 Ca 0.05 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 3ngj n GLY 160 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ngj h THR 161 N -0.63 1.31 -3.54 2.61 1.35 -1.95 -3.45 112.91 108.61 3ngj h THR 161 Ca 0.00 -1.62 -0.06 0.00 -0.55 0.00 0.00 66.41 64.19 3ngj h THR 161 Cb 0.00 1.64 -0.12 0.00 -1.73 0.00 0.00 68.15 67.94 3ngj h THR 161 CO 0.00 0.50 -0.13 -1.38 -0.25 0.00 0.00 175.52 174.26 3ngj s HIS 162 N -4.16 0.02 0.00 4.73 0.00 -1.26 -5.15 115.29 109.48 3ngj s HIS 162 Ca -0.06 -0.38 0.00 0.00 -3.00 0.00 0.00 55.06 51.62 3ngj s HIS 162 Cb 0.12 0.19 0.00 0.00 -4.00 0.00 0.00 32.58 28.89 3ngj s HIS 162 CO 0.81 -0.76 0.00 0.41 -1.00 0.00 0.00 174.74 174.20 3ngj n GLY 163 N -0.24 2.67 3.73 -1.38 0.00 -1.26 -4.45 105.19 104.25 3ngj n GLY 163 Ca -0.12 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3ngj n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngj s ALA 164 N -2.75 3.74 0.07 4.61 0.00 -0.73 -4.81 121.76 121.90 3ngj s ALA 164 Ca 0.00 1.43 0.09 0.00 0.00 0.00 0.00 51.96 53.48 3ngj s ALA 164 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3ngj s ALA 164 CO 0.00 -0.83 -0.23 0.95 0.00 0.00 0.00 175.76 175.65 3ngj s THR 165 N 0.53 2.45 0.41 0.00 -4.23 -1.26 -4.95 115.64 108.58 3ngj s THR 165 Ca 0.66 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 3ngj s THR 165 Cb -0.45 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 71.63 3ngj s THR 165 CO 0.39 0.26 2.06 1.55 -0.54 0.00 0.00 174.62 178.33 3ngj h PRO 166 N 4.36 0.56 -0.43 3.99 0.13 -1.96 -1.85 132.00 136.80 3ngj h PRO 166 Ca -0.48 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 3ngj h PRO 166 Cb 1.16 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3ngj h PRO 166 CO 0.44 0.37 -0.19 0.93 -0.23 0.00 0.00 178.00 179.32 3ngj h GLU 167 N 0.58 0.84 -0.42 0.86 3.07 -1.98 -0.94 114.58 116.60 3ngj h GLU 167 Ca 0.16 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.62 3ngj h GLU 167 Cb -0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3ngj h GLU 167 CO -0.03 0.96 -0.01 -0.44 -1.40 0.00 0.00 179.01 178.09 3ngj h ASP 168 N 0.74 0.72 -0.60 1.42 3.32 -1.84 -0.51 116.42 119.67 3ngj h ASP 168 Ca 0.11 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3ngj h ASP 168 Cb 0.71 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3ngj h ASP 168 CO 0.05 0.86 0.35 0.58 -1.72 0.00 0.00 179.24 179.36 3ngj h VAL 169 N 0.57 1.02 -0.07 -1.35 2.07 -1.13 0.15 116.25 117.50 3ngj h VAL 169 Ca 0.12 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3ngj h VAL 169 Cb 0.49 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ngj h VAL 169 CO 0.02 0.12 0.02 0.50 0.02 0.00 0.00 177.57 178.26 3ngj h LYS 170 N 0.67 0.11 -0.48 1.57 1.63 -1.04 -0.23 116.57 118.79 3ngj h LYS 170 Ca 0.26 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.09 3ngj h LYS 170 Cb 0.09 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 3ngj h LYS 170 CO -0.14 0.27 0.19 1.25 -3.45 0.00 0.00 179.45 177.58 3ngj h LEU 171 N -0.08 0.22 -0.40 5.20 5.85 -0.76 0.18 115.31 125.53 3ngj h LEU 171 Ca 0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ngj h LEU 171 Cb 0.21 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3ngj h LEU 171 CO -0.00 0.16 0.21 0.24 -0.34 0.00 0.00 178.44 178.71 3ngj h MET 172 N 0.38 0.57 -0.40 1.25 2.86 -0.50 -1.53 114.93 117.56 3ngj h MET 172 Ca 0.23 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 3ngj h MET 172 Cb 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3ngj h MET 172 CO -0.21 0.47 -0.28 -0.22 1.06 0.00 0.00 176.91 177.73 3ngj h LYS 173 N 0.51 0.85 -0.57 1.72 1.63 -0.74 -1.72 116.57 118.26 3ngj h LYS 173 Ca 0.14 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3ngj h LYS 173 Cb 0.08 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3ngj h LYS 173 CO -0.02 1.03 0.37 -0.44 -3.45 0.00 0.00 179.45 176.93 3ngj h ASP 174 N 0.73 0.65 -0.04 4.20 3.32 -0.49 0.17 116.42 124.96 3ngj h ASP 174 Ca 0.08 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3ngj h ASP 174 Cb 0.83 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3ngj h ASP 174 CO 0.07 0.48 -0.20 0.74 -1.72 0.00 0.00 179.24 178.61 3ngj h THR 175 N 0.77 1.48 0.00 0.35 2.02 -0.77 -3.33 112.91 113.43 3ngj h THR 175 Ca 0.21 -1.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.62 3ngj h THR 175 Cb -0.08 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 3ngj h THR 175 CO -0.04 0.47 -0.49 -0.37 0.37 0.00 0.00 175.52 175.46 3ngj h VAL 176 N -0.38 0.37 0.00 3.16 -1.51 -1.26 -3.47 116.25 113.16 3ngj h VAL 176 Ca -0.02 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 3ngj h VAL 176 Cb 0.87 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3ngj h VAL 176 CO 0.04 0.21 0.00 0.61 -1.23 0.00 0.00 177.57 177.21 3ngj n GLY 177 N 1.19 3.30 0.50 5.19 0.00 0.04 -1.31 105.19 114.11 3ngj n GLY 177 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.89 3ngj n GLY 177 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ngj n ASP 178 N 2.90 1.50 0.15 1.61 5.68 -1.26 -4.17 116.55 122.95 3ngj n ASP 178 Ca 0.00 -1.73 0.12 0.00 -0.50 0.00 0.00 54.79 52.68 3ngj n ASP 178 Cb 0.00 -0.11 0.17 0.00 -1.14 0.00 0.00 41.12 40.04 3ngj n ASP 178 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3ngj h LYS 179 N 1.93 0.00 -3.82 0.11 1.57 -1.60 -3.46 116.57 111.30 3ngj h LYS 179 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3ngj h LYS 179 Cb 0.42 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.61 3ngj h LYS 179 CO 0.00 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 178.59 3ngj s ALA 180 N -3.22 -0.13 0.25 3.86 0.00 -1.25 -4.93 121.76 116.35 3ngj s ALA 180 Ca 0.06 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.31 3ngj s ALA 180 Cb 0.09 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 3ngj s ALA 180 CO 0.69 -0.64 0.20 -0.51 0.00 0.00 0.00 175.76 175.50 3ngj s LEU 181 N -2.94 3.83 -0.10 0.00 1.43 -0.01 -4.71 118.68 116.17 3ngj s LEU 181 Ca 0.14 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3ngj s LEU 181 Cb 0.03 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3ngj s LEU 181 CO -0.02 -0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.69 3ngj s VAL 182 N -2.13 3.04 -0.16 -1.59 1.01 -1.26 -0.94 120.40 118.37 3ngj s VAL 182 Ca 0.33 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3ngj s VAL 182 Cb -0.08 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3ngj s VAL 182 CO 0.25 0.55 -0.09 -0.75 0.00 0.00 0.00 175.10 175.06 3ngj s LYS 183 N 0.01 3.43 -0.20 2.72 2.20 -0.11 0.08 119.74 127.87 3ngj s LYS 183 Ca -0.04 -0.64 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 3ngj s LYS 183 Cb -0.14 -2.79 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 3ngj s LYS 183 CO 0.04 0.10 0.25 0.00 -0.36 0.00 0.00 175.35 175.38 3ngj s ALA 184 N 0.67 3.61 0.00 3.13 0.00 -0.61 -1.27 121.76 127.28 3ngj s ALA 184 Ca -0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 3ngj s ALA 184 Cb -0.15 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.59 3ngj s ALA 184 CO 0.02 -0.06 0.18 0.00 0.00 0.00 0.00 175.76 175.91 3ngj s ALA 185 N 0.79 -0.44 0.00 0.00 0.00 -1.26 -0.36 121.76 120.49 3ngj s ALA 185 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3ngj s ALA 185 Cb -0.13 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3ngj s ALA 185 CO 0.04 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3ngj n GLY 186 N 1.36 -0.05 2.04 0.00 0.00 -1.25 -1.77 105.19 105.51 3ngj n GLY 186 Ca -0.22 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 3ngj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngj n GLY 187 N 2.25 0.47 3.47 -0.02 0.00 -1.26 -1.81 105.19 108.29 3ngj n GLY 187 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3ngj n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ngj s ILE 188 N -1.98 4.56 -0.06 -0.61 1.01 -1.26 -4.87 121.20 117.99 3ngj s ILE 188 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.55 3ngj s ILE 188 Cb 0.00 -4.49 -0.13 0.00 0.01 0.00 0.00 42.46 37.85 3ngj s ILE 188 CO 0.00 -1.08 0.11 0.54 0.00 0.00 0.00 174.94 174.50 3ngj n ARG 189 N 7.02 1.60 -4.31 2.79 1.74 -1.26 -4.59 116.66 119.65 3ngj n ARG 189 Ca -0.03 -0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.85 3ngj n ARG 189 Cb 0.46 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 3ngj n ARG 189 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ngj s THR 190 N -2.42 1.18 0.18 0.55 -4.23 -1.26 -4.45 115.64 105.19 3ngj s THR 190 Ca -0.04 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 3ngj s THR 190 Cb 0.04 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.86 3ngj s THR 190 CO 0.40 -0.49 1.62 0.15 -0.54 0.00 0.00 174.62 175.76 3ngj h PHE 191 N 2.57 -0.57 -0.14 3.99 3.57 -1.81 -1.52 116.94 123.03 3ngj h PHE 191 Ca -0.38 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.10 3ngj h PHE 191 Cb 1.21 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 3ngj h PHE 191 CO 0.62 -0.31 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.72 3ngj h ASP 192 N -0.12 0.24 -0.07 0.41 3.32 -1.92 -0.85 116.42 117.43 3ngj h ASP 192 Ca 0.22 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ngj h ASP 192 Cb 0.47 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ngj h ASP 192 CO -0.55 0.48 0.04 0.44 -1.72 0.00 0.00 179.24 177.93 3ngj h ASP 193 N 0.22 0.09 -0.30 6.45 3.32 -1.83 -0.50 116.42 123.88 3ngj h ASP 193 Ca 0.04 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ngj h ASP 193 Cb 0.54 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3ngj h ASP 193 CO 0.04 0.12 0.19 0.00 -1.72 0.00 0.00 179.24 177.87 3ngj h ALA 194 N 0.97 0.38 -0.46 3.45 0.00 -0.86 -2.01 119.26 120.72 3ngj h ALA 194 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ngj h ALA 194 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ngj h ALA 194 CO -0.00 -0.15 0.10 0.52 0.00 0.00 0.00 179.25 179.72 3ngj h MET 195 N 0.39 0.71 -0.68 0.00 2.86 -1.09 -0.62 114.93 116.50 3ngj h MET 195 Ca 0.11 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ngj h MET 195 Cb -0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3ngj h MET 195 CO -0.02 0.65 0.32 -0.22 1.06 0.00 0.00 176.91 178.70 3ngj h LYS 196 N 0.68 0.98 -0.38 1.72 3.64 -0.79 0.63 116.57 123.07 3ngj h LYS 196 Ca 0.15 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3ngj h LYS 196 Cb 0.28 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3ngj h LYS 196 CO 0.00 0.78 -0.05 0.52 -2.27 0.00 0.00 179.45 178.43 3ngj h MET 197 N 0.95 0.70 -0.82 1.90 2.86 -0.92 -2.34 114.93 117.25 3ngj h MET 197 Ca 0.23 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3ngj h MET 197 Cb 0.13 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 3ngj h MET 197 CO -0.03 0.82 0.53 0.82 1.06 0.00 0.00 176.91 180.11 3ngj h ILE 198 N 0.50 1.14 -0.13 -1.22 2.04 -0.94 -1.90 117.51 117.00 3ngj h ILE 198 Ca 0.10 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3ngj h ILE 198 Cb 0.54 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3ngj h ILE 198 CO 0.03 0.19 0.02 -1.13 0.00 0.00 0.00 178.15 177.26 3ngj h ASN 199 N 1.04 0.16 0.03 1.72 -1.24 -0.59 -1.62 115.58 115.08 3ngj h ASN 199 Ca 0.33 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.32 3ngj h ASN 199 Cb -0.01 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.00 3ngj h ASN 199 CO -0.11 0.18 -0.03 0.59 -1.29 0.00 0.00 177.43 176.78 3ngj n ASN 200 N -4.45 1.11 0.00 1.15 3.02 -0.78 -4.91 115.26 110.40 3ngj n ASN 200 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3ngj n ASN 200 Cb 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3ngj n ASN 200 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ngj n GLY 201 N 1.16 0.82 3.72 7.41 0.00 -0.61 -3.46 105.19 114.23 3ngj n GLY 201 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3ngj n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngj s ALA 202 N -1.73 3.48 -0.91 4.61 0.00 -0.81 -4.27 121.76 122.13 3ngj s ALA 202 Ca 0.00 0.97 0.21 0.00 0.00 0.00 0.00 51.96 53.14 3ngj s ALA 202 Cb 0.00 -3.48 -0.19 0.00 0.00 0.00 0.00 23.12 19.45 3ngj s ALA 202 CO 0.00 -0.50 0.90 0.43 0.00 0.00 0.00 175.76 176.58 3ngj n SER 203 N 3.81 0.88 -3.88 0.00 7.64 0.11 -4.41 113.62 117.77 3ngj n SER 203 Ca 0.10 -0.85 -0.10 0.00 1.01 0.00 0.00 58.87 59.02 3ngj n SER 203 Cb 0.45 1.04 -0.09 0.00 -1.01 0.00 0.00 64.21 64.59 3ngj n SER 203 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3ngj s ARG 204 N -3.05 0.59 -0.08 1.43 6.06 -1.14 -4.78 118.95 117.98 3ngj s ARG 204 Ca 0.07 -0.58 0.01 0.00 -2.50 0.00 0.00 55.73 52.72 3ngj s ARG 204 Cb 0.16 0.24 0.02 0.00 0.06 0.00 0.00 34.95 35.43 3ngj s ARG 204 CO 0.86 -0.16 -0.08 0.42 -2.50 0.00 0.00 175.30 173.84 3ngj s ILE 205 N -2.17 0.95 -0.17 4.11 -1.09 0.81 -1.58 121.20 122.07 3ngj s ILE 205 Ca -0.08 -0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 57.89 3ngj s ILE 205 Cb -0.03 -0.94 -0.05 0.00 -1.58 0.00 0.00 42.46 39.86 3ngj s ILE 205 CO -0.02 0.34 0.30 -0.83 -1.23 0.00 0.00 174.94 173.50 3ngj s GLY 206 N 1.26 2.18 0.06 6.18 0.00 0.52 -0.51 107.32 117.01 3ngj s GLY 206 Ca -0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 44.72 43.94 3ngj s GLY 206 CO -0.03 0.49 0.73 0.00 0.00 0.00 0.00 173.10 174.29 3ngj s ALA 207 N 0.62 -1.71 -0.15 3.20 0.00 -1.08 -3.78 121.76 118.85 3ngj s ALA 207 Ca 0.16 0.84 0.22 0.00 0.00 0.00 0.00 51.96 53.18 3ngj s ALA 207 Cb -0.13 0.52 -0.32 0.00 0.00 0.00 0.00 23.12 23.19 3ngj s ALA 207 CO 0.04 -0.66 0.54 -1.13 0.00 0.00 0.00 175.76 174.56 3ngj n SER 208 N -0.09 0.13 -1.70 0.00 3.41 -1.26 -1.40 113.62 112.71 3ngj n SER 208 Ca -0.14 -0.11 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 3ngj n SER 208 Cb 0.62 1.85 0.19 0.00 -0.26 0.00 0.00 64.21 66.61 3ngj n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ngj n ALA 209 N -2.17 4.17 -0.30 7.33 0.00 -1.26 -4.68 120.51 123.60 3ngj n ALA 209 Ca -0.03 -1.73 0.11 0.00 0.00 0.00 0.00 53.44 51.79 3ngj n ALA 209 Cb 0.54 -1.22 0.27 0.00 0.00 0.00 0.00 19.45 19.04 3ngj n ALA 209 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ngj h GLY 210 N 2.91 1.44 0.90 0.00 0.00 -1.91 0.17 103.07 106.58 3ngj h GLY 210 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 3ngj h GLY 210 CO 0.59 -0.18 0.05 -2.22 0.00 0.00 0.00 176.54 174.78 3ngj h ILE 211 N 0.47 1.24 -0.68 2.60 2.04 -1.99 -0.43 117.51 120.75 3ngj h ILE 211 Ca 0.51 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3ngj h ILE 211 Cb 0.89 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3ngj h ILE 211 CO -0.47 0.27 0.28 0.00 0.00 0.00 0.00 178.15 178.23 3ngj h ALA 212 N 0.89 1.21 -0.05 1.87 0.00 -1.75 0.26 119.26 121.69 3ngj h ALA 212 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ngj h ALA 212 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ngj h ALA 212 CO 0.01 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.69 3ngj h ILE 213 N 0.98 1.03 -0.74 0.00 2.04 -0.62 -1.03 117.51 119.17 3ngj h ILE 213 Ca 0.23 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 3ngj h ILE 213 Cb 0.18 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3ngj h ILE 213 CO -0.02 0.03 0.39 -0.07 0.00 0.00 0.00 178.15 178.48 3ngj h LEU 214 N 0.04 0.94 -0.23 1.44 3.38 -0.88 -2.91 115.31 117.09 3ngj h LEU 214 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ngj h LEU 214 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ngj h LEU 214 CO -0.00 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.90 3ngj n ASN 215 N -4.44 0.48 -0.65 -0.43 3.02 0.06 -2.58 115.26 110.72 3ngj n ASN 215 Ca 0.07 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.31 3ngj n ASN 215 Cb 0.11 -0.69 0.36 0.00 -0.61 0.00 0.00 39.78 38.94 3ngj n ASN 215 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ngj n GLY 216 N 0.67 0.47 3.63 7.41 0.00 -0.41 -4.97 105.19 112.00 3ngj n GLY 216 Ca 0.04 -0.48 -0.48 0.00 0.00 0.00 0.00 46.02 45.10 3ngj n GLY 216 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ngj n ILE 217 N 0.51 0.32 -1.97 -0.61 3.06 -1.07 -4.73 119.36 114.88 3ngj n ILE 217 Ca 0.17 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 3ngj n ILE 217 Cb 0.39 -1.20 0.00 0.00 0.54 0.00 0.00 39.64 39.37 3ngj n ILE 217 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05