#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 5.46 0.18 6.12 -4.77 -1.26 -4.98 116.67 117.42 3ngj s ASP 2 Ca 0.00 -0.54 -0.11 0.00 -3.30 0.00 0.00 52.55 48.61 3ngj s ASP 2 Cb 0.00 -0.58 0.08 0.00 -1.09 0.00 0.00 42.92 41.33 3ngj s ASP 2 CO 0.00 -0.76 1.71 0.11 0.70 0.00 0.00 175.17 176.93 3ngj h LYS 3 N 0.73 0.97 -0.69 2.11 1.57 -1.99 -1.38 116.57 117.88 3ngj h LYS 3 Ca -0.40 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.09 3ngj h LYS 3 Cb 1.28 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 3ngj h LYS 3 CO 0.48 0.86 0.14 0.00 -0.57 0.00 0.00 179.45 180.37 3ngj h ALA 4 N 1.07 0.92 -0.10 3.86 0.00 -1.96 0.68 119.26 123.72 3ngj h ALA 4 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ngj h ALA 4 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ngj h ALA 4 CO -0.01 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 180.97 3ngj h THR 5 N 1.06 1.35 -0.95 0.00 2.02 -1.94 -2.99 112.91 111.47 3ngj h THR 5 Ca 0.21 -1.22 0.03 0.00 0.77 0.00 0.00 66.41 66.21 3ngj h THR 5 Cb 0.41 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3ngj h THR 5 CO 0.01 0.35 0.62 0.25 0.37 0.00 0.00 175.52 177.11 3ngj h LEU 6 N -0.16 1.05 -1.45 2.58 5.85 -1.11 -2.35 115.31 119.72 3ngj h LEU 6 Ca 0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3ngj h LEU 6 Cb 0.59 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3ngj h LEU 6 CO 0.02 0.73 0.39 0.00 -0.34 0.00 0.00 178.44 179.24 3ngj h ALA 7 N 1.38 1.63 0.00 1.25 0.00 -0.81 -0.67 119.26 122.04 3ngj h ALA 7 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ngj h ALA 7 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ngj h ALA 7 CO -0.11 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.10 3ngj n LYS 8 N -4.46 0.74 0.17 0.00 4.76 -0.88 -1.27 118.16 117.22 3ngj n LYS 8 Ca 0.06 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 3ngj n LYS 8 Cb 0.08 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.00 0.00 -3.47 2.13 0.05 -1.16 -3.39 116.97 111.13 3ngj h TYR 9 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 3ngj h TYR 9 Cb 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.66 3ngj h TYR 9 CO 0.00 0.00 -0.26 0.42 -1.05 0.00 0.00 178.16 177.27 3ngj s ILE 10 N -3.22 5.24 -0.48 -2.88 1.01 -0.39 -0.10 121.20 120.38 3ngj s ILE 10 Ca 0.06 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.13 3ngj s ILE 10 Cb 0.08 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.91 3ngj s ILE 10 CO 0.68 0.29 0.58 -1.81 0.00 0.00 0.00 174.94 174.68 3ngj s ASP 11 N 0.96 6.23 -0.40 3.58 1.01 0.45 -0.89 116.67 127.62 3ngj s ASP 11 Ca 0.17 -0.81 -0.29 0.00 0.71 0.00 0.00 52.55 52.33 3ngj s ASP 11 Cb -0.14 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.53 3ngj s ASP 11 CO 0.07 -0.81 1.13 -2.28 0.21 0.00 0.00 175.17 173.49 3ngj s HIS 12 N 2.51 2.93 -0.07 4.23 2.46 -0.09 -2.40 115.29 124.87 3ngj s HIS 12 Ca 0.15 0.92 0.04 0.00 0.47 0.00 0.00 55.06 56.64 3ngj s HIS 12 Cb -0.18 -4.11 -0.01 0.00 -0.13 0.00 0.00 32.58 28.15 3ngj s HIS 12 CO 0.13 -1.11 -0.20 0.99 -2.47 0.00 0.00 174.74 172.08 3ngj s THR 13 N 4.15 2.48 -0.17 0.89 2.01 -0.30 -1.11 115.64 123.60 3ngj s THR 13 Ca 0.48 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 3ngj s THR 13 Cb -0.10 -1.95 0.08 0.00 0.01 0.00 0.00 72.50 70.54 3ngj s THR 13 CO 0.25 0.57 0.19 -0.22 -0.69 0.00 0.00 174.62 174.72 3ngj s LEU 14 N -0.19 -0.06 0.00 4.42 2.96 -0.63 -4.36 118.68 120.83 3ngj s LEU 14 Ca -0.02 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3ngj s LEU 14 Cb -0.13 0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.86 3ngj s LEU 14 CO 0.03 -0.30 0.52 0.18 -1.32 0.00 0.00 176.35 175.46 3ngj n LEU 15 N 5.32 0.87 -4.72 -0.68 4.77 -1.26 -4.20 117.00 117.10 3ngj n LEU 15 Ca -0.05 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 3ngj n LEU 15 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ngj n LEU 15 CO 0.07 0.22 0.97 0.29 -1.33 0.00 0.00 177.39 177.60 3ngj n LYS 16 N -0.13 2.25 0.18 3.23 4.76 -1.26 -4.87 118.16 122.32 3ngj n LYS 16 Ca 0.00 0.79 0.09 0.00 -2.87 0.00 0.00 58.31 56.33 3ngj n LYS 16 Cb 0.20 -2.43 0.62 0.00 -1.84 0.00 0.00 35.03 31.57 3ngj n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ngj h ALA 17 N 2.59 2.04 -0.62 7.82 0.00 -2.05 -1.93 119.26 127.11 3ngj h ALA 17 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3ngj h ALA 17 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3ngj h ALA 17 CO 0.62 -0.07 0.08 -0.40 0.00 0.00 0.00 179.25 179.49 3ngj n ASP 18 N -4.51 5.46 -4.76 0.00 5.75 -1.26 -4.98 116.55 112.25 3ngj n ASP 18 Ca 0.00 -3.03 -0.41 0.00 -0.01 0.00 0.00 54.79 51.34 3ngj n ASP 18 Cb 0.17 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 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 3.66 0.28 2.12 0.00 -0.73 -5.00 121.76 119.24 3ngj s ALA 19 Ca 0.55 1.54 0.06 0.00 0.00 0.00 0.00 51.96 54.10 3ngj s ALA 19 Cb 0.42 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ngj s ALA 19 CO 0.15 -0.98 0.40 0.95 0.00 0.00 0.00 175.76 176.29 3ngj s THR 20 N -0.51 4.78 0.26 0.00 -4.23 -1.26 -5.00 115.64 109.68 3ngj s THR 20 Ca 0.58 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 3ngj s THR 20 Cb -0.46 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 69.94 3ngj s THR 20 CO 0.54 -0.26 1.85 -0.08 -0.54 0.00 0.00 174.62 176.13 3ngj h GLU 21 N 1.06 0.98 -0.50 3.99 4.81 -1.99 -0.58 114.58 122.35 3ngj h GLU 21 Ca -0.49 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3ngj h GLU 21 Cb 1.24 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3ngj h GLU 21 CO 0.58 0.65 0.30 0.93 -0.73 0.00 0.00 179.01 180.74 3ngj h GLU 22 N 1.01 0.68 -0.83 1.92 3.07 -1.99 0.25 114.58 118.68 3ngj h GLU 22 Ca 0.42 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3ngj h GLU 22 Cb 0.26 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 3ngj h GLU 22 CO -0.20 0.49 0.52 1.96 -1.40 0.00 0.00 179.01 180.38 3ngj h GLN 23 N 0.67 1.12 -0.56 2.33 4.20 -1.75 -1.82 115.11 119.30 3ngj h GLN 23 Ca 0.18 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 3ngj h GLN 23 Cb -0.01 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3ngj h GLN 23 CO -0.03 0.77 0.01 0.82 -0.67 0.00 0.00 178.83 179.73 3ngj h ILE 24 N 1.14 1.26 -0.92 2.54 1.08 -0.71 -0.33 117.51 121.57 3ngj h ILE 24 Ca 0.30 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 3ngj h ILE 24 Cb -0.07 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3ngj h ILE 24 CO -0.06 0.40 0.53 0.03 -0.69 0.00 0.00 178.15 178.35 3ngj h ARG 25 N 0.86 1.26 -0.44 2.37 3.08 -0.79 -1.41 114.38 119.32 3ngj h ARG 25 Ca 0.16 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 3ngj h ARG 25 Cb 0.53 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3ngj h ARG 25 CO 0.03 0.90 -0.27 -0.22 -1.07 0.00 0.00 179.97 179.34 3ngj h LYS 26 N 1.27 0.95 -0.55 0.04 1.63 -1.03 -1.11 116.57 117.77 3ngj h LYS 26 Ca 0.33 -0.43 0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3ngj h LYS 26 Cb -0.01 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 3ngj h LYS 26 CO -0.06 1.09 0.27 1.25 -3.45 0.00 0.00 179.45 178.55 3ngj h LEU 27 N 0.80 0.37 -0.35 5.20 5.85 -0.66 0.84 115.31 127.37 3ngj h LEU 27 Ca 0.09 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3ngj h LEU 27 Cb 0.84 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3ngj h LEU 27 CO 0.07 0.25 -0.07 0.00 -0.34 0.00 0.00 178.44 178.35 3ngj h SER 29 N 0.45 -0.02 -0.30 0.00 0.87 -0.91 -1.46 113.55 112.19 3ngj h SER 29 Ca 0.09 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3ngj h SER 29 Cb 0.57 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3ngj h SER 29 CO 0.03 0.03 0.18 -0.33 -0.53 0.00 0.00 176.83 176.21 3ngj h GLU 30 N 0.15 0.40 -0.87 2.24 5.08 -0.70 -1.74 114.58 119.13 3ngj h GLU 30 Ca 0.14 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ngj h GLU 30 Cb 0.16 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3ngj h GLU 30 CO -0.19 0.31 0.57 0.00 -1.00 0.00 0.00 179.01 178.69 3ngj h ALA 31 N 1.07 1.15 -0.43 3.43 0.00 -0.85 0.22 119.26 123.86 3ngj h ALA 31 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3ngj h ALA 31 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ngj h ALA 31 CO -0.02 0.42 -0.28 0.00 0.00 0.00 0.00 179.25 179.37 3ngj h ALA 32 N 1.36 0.70 -0.26 0.00 0.00 -1.17 0.87 119.26 120.76 3ngj h ALA 32 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3ngj h ALA 32 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ngj h ALA 32 CO -0.11 0.67 -0.09 1.49 0.00 0.00 0.00 179.25 181.20 3ngj h GLU 33 N 0.78 0.52 -0.01 0.00 4.81 -0.80 -3.21 114.58 116.67 3ngj h GLU 33 Ca 0.09 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3ngj h GLU 33 Cb 0.84 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3ngj h GLU 33 CO 0.07 0.75 -0.25 0.66 -0.73 0.00 0.00 179.01 179.52 3ngj n TYR 34 N -4.51 0.00 -3.56 0.92 4.01 0.02 -4.97 117.16 109.08 3ngj n TYR 34 Ca -0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.51 3ngj n TYR 34 Cb 0.33 -0.12 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 3ngj n TYR 34 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3ngj n LYS 35 N -0.64 -5.91 -1.27 -0.72 5.02 0.22 -4.87 118.16 109.99 3ngj n LYS 35 Ca 0.12 0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 56.86 3ngj n LYS 35 Cb 0.35 -5.57 0.12 0.00 -0.02 0.00 0.00 35.03 29.90 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 -3.49 2.46 0.15 2.13 0.08 -0.73 -4.15 117.98 114.44 3ngj s PHE 36 Ca 0.02 1.32 -0.16 0.00 0.12 0.00 0.00 56.93 58.24 3ngj s PHE 36 Cb -0.01 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.34 3ngj s PHE 36 CO 0.77 -2.14 1.79 0.00 -0.10 0.00 0.00 175.22 175.54 3ngj h ALA 37 N -1.37 0.54 -2.89 5.36 0.00 -0.87 -3.42 119.26 116.62 3ngj h ALA 37 Ca -0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3ngj h ALA 37 Cb 1.27 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3ngj h ALA 37 CO 0.54 0.03 0.01 -1.12 0.00 0.00 0.00 179.25 178.72 3ngj s SER 38 N -5.64 -0.18 0.06 0.00 0.01 -1.16 -1.49 113.70 105.30 3ngj s SER 38 Ca -0.13 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.43 3ngj s SER 38 Cb 0.11 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 3ngj s SER 38 CO 0.73 -1.18 0.05 0.68 0.41 0.00 0.00 173.24 173.94 3ngj s VAL 39 N -3.95 4.38 -0.18 3.43 -7.23 -0.50 -0.91 120.40 115.44 3ngj s VAL 39 Ca 0.16 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 3ngj s VAL 39 Cb -0.02 -3.07 0.03 0.00 0.56 0.00 0.00 36.38 33.87 3ngj s VAL 39 CO 0.05 0.18 -0.14 0.00 -0.31 0.00 0.00 175.10 174.88 3ngj s VAL 41 N 1.36 0.23 0.74 0.00 -7.23 -0.64 -1.60 120.40 113.27 3ngj s VAL 41 Ca 0.02 -1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 58.22 3ngj s VAL 41 Cb -0.15 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.24 3ngj s VAL 41 CO -0.10 -0.92 1.15 0.20 -0.31 0.00 0.00 175.10 175.12 3ngj s ASN 42 N -2.94 4.34 0.55 4.85 0.01 -1.26 -3.52 114.94 116.97 3ngj s ASN 42 Ca 0.10 2.13 0.23 0.00 -0.71 0.00 0.00 52.86 54.61 3ngj s ASN 42 Cb 0.08 -2.56 1.51 0.00 0.41 0.00 0.00 41.25 40.69 3ngj s ASN 42 CO -0.08 -2.15 2.14 -0.65 -1.51 0.00 0.00 177.10 174.85 3ngj h PRO 43 N -0.56 0.00 -0.08 -0.60 0.11 -1.96 -1.08 132.00 127.83 3ngj h PRO 43 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3ngj h PRO 43 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ngj h PRO 43 CO 0.50 0.00 0.08 0.00 -0.21 0.00 0.00 178.00 178.37 3ngj h THR 44 N 0.00 0.58 -0.36 -1.15 1.03 -1.97 -2.17 112.91 108.87 3ngj h THR 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 3ngj h THR 44 Cb 0.25 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 3ngj h THR 44 CO -0.00 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 176.30 3ngj n TRP 45 N -3.94 0.47 0.00 0.00 7.02 -0.41 -4.48 117.44 116.10 3ngj n TRP 45 Ca -0.01 -0.23 -0.11 0.00 -1.02 0.00 0.00 57.50 56.12 3ngj n TRP 45 Cb 0.18 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 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 3.88 1.04 -0.83 -0.99 2.07 -1.49 -2.06 116.25 117.86 3ngj h VAL 46 Ca 0.00 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3ngj h VAL 46 Cb 0.86 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 3ngj h VAL 46 CO 0.00 0.03 0.53 -0.65 0.02 0.00 0.00 177.57 177.50 3ngj h PRO 47 N 0.10 0.98 -0.35 1.57 0.11 -1.79 -0.12 132.00 132.50 3ngj h PRO 47 Ca 0.03 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3ngj h PRO 47 Cb 0.01 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3ngj h PRO 47 CO -0.01 0.65 0.08 1.25 -0.21 0.00 0.00 178.00 179.76 3ngj h LEU 48 N 1.01 0.54 -0.63 2.35 5.85 -1.84 -2.23 115.31 120.35 3ngj h LEU 48 Ca 0.34 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3ngj h LEU 48 Cb 0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3ngj h LEU 48 CO -0.13 0.64 -0.37 0.00 -0.34 0.00 0.00 178.44 178.24 3ngj h ALA 50 N 1.04 1.03 -0.14 0.00 0.00 -0.96 -0.14 119.26 120.08 3ngj h ALA 50 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ngj h ALA 50 Cb 0.88 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ngj h ALA 50 CO 0.08 0.47 -0.07 1.49 0.00 0.00 0.00 179.25 181.22 3ngj h GLU 51 N 1.10 0.29 -0.31 0.00 4.81 -1.15 -2.77 114.58 116.55 3ngj h GLU 51 Ca 0.29 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3ngj h GLU 51 Cb -0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ngj h GLU 51 CO -0.06 0.62 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.72 3ngj h LEU 52 N -0.05 0.48 -1.94 1.64 3.38 -1.03 -3.19 115.31 114.59 3ngj h LEU 52 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ngj h LEU 52 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ngj h LEU 52 CO 0.02 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.32 3ngj n LEU 53 N -4.25 2.98 -4.67 1.67 4.77 -0.08 -4.94 117.00 112.49 3ngj n LEU 53 Ca 0.01 -1.09 -0.46 0.00 -0.03 0.00 0.00 56.01 54.43 3ngj n LEU 53 Cb 0.28 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3ngj n LEU 53 CO 0.39 0.55 1.25 0.29 -1.33 0.00 0.00 177.39 178.54 3ngj n LYS 54 N 1.27 2.16 -0.89 3.23 4.76 -1.05 -1.75 118.16 125.90 3ngj n LYS 54 Ca 0.16 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 3ngj n LYS 54 Cb 0.58 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 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 3.61 0.96 0.02 0.72 0.00 -1.26 -4.90 105.19 104.35 3ngj n GLY 55 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.00 0.12 -0.68 2.61 -2.24 -0.71 -4.95 114.28 106.42 3ngj n THR 56 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3ngj n THR 56 Cb 0.00 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.43 1.58 3.67 3.38 0.00 -1.26 -4.99 105.19 109.00 3ngj n GLY 57 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.66 5.19 0.44 1.61 1.01 -1.26 -4.91 120.40 118.82 3ngj s VAL 58 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 3ngj s VAL 58 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3ngj s VAL 58 CO 0.00 0.25 0.85 -0.54 0.00 0.00 0.00 175.10 175.66 3ngj s LYS 59 N 1.28 3.86 -0.32 2.72 1.02 -0.56 -4.87 119.74 122.88 3ngj s LYS 59 Ca 0.20 0.67 -0.16 0.00 0.02 0.00 0.00 55.97 56.70 3ngj s LYS 59 Cb -0.15 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3ngj s LYS 59 CO 0.08 -0.11 0.42 0.08 -0.92 0.00 0.00 175.35 174.90 3ngj s VAL 60 N -2.44 5.12 -0.06 3.17 1.01 -1.26 -1.40 120.40 124.53 3ngj s VAL 60 Ca 0.54 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.90 3ngj s VAL 60 Cb -0.10 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3ngj s VAL 60 CO 0.30 -0.04 -0.13 0.00 0.00 0.00 0.00 175.10 175.23 3ngj s THR 62 N -0.60 0.54 0.04 0.00 -1.32 -0.74 -1.62 115.64 111.94 3ngj s THR 62 Ca 0.09 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.65 3ngj s THR 62 Cb -0.11 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 3ngj s THR 62 CO 0.01 0.00 -0.25 0.68 -2.21 0.00 0.00 174.62 172.86 3ngj s VAL 63 N -3.40 2.27 -0.05 5.08 -7.23 -1.23 -0.26 120.40 115.59 3ngj s VAL 63 Ca 0.31 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.21 3ngj s VAL 63 Cb 0.04 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 3ngj s VAL 63 CO 0.16 0.39 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.55 3ngj s ILE 64 N -0.81 1.39 -1.45 -0.62 -1.09 0.13 -4.45 121.20 114.31 3ngj s ILE 64 Ca 0.12 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 3ngj s ILE 64 Cb -0.10 -1.21 0.05 0.00 -1.58 0.00 0.00 42.46 39.62 3ngj s ILE 64 CO 0.02 0.40 1.06 0.61 -1.23 0.00 0.00 174.94 175.81 3ngj n GLY 65 N 3.23 -0.53 3.44 6.18 0.00 -1.26 -1.61 105.19 114.64 3ngj n GLY 65 Ca -0.19 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.30 2.60 -2.68 1.61 5.36 -1.26 -0.24 117.98 120.07 3ngj s PHE 66 Ca 0.61 -0.24 0.24 0.00 -0.96 0.00 0.00 56.93 56.59 3ngj s PHE 66 Cb -0.29 -1.58 0.52 0.00 -0.34 0.00 0.00 43.02 41.34 3ngj s PHE 66 CO 0.75 0.14 1.45 -0.35 -1.46 0.00 0.00 175.22 175.75 3ngj n PRO 67 N 2.24 2.12 0.01 10.12 -0.04 -1.26 -4.91 135.00 143.28 3ngj n PRO 67 Ca -0.17 -1.65 -0.01 0.00 -0.04 0.00 0.00 63.50 61.63 3ngj n PRO 67 Cb 0.52 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.95 0.67 0.00 1.53 4.77 -1.23 -4.97 117.00 118.72 3ngj n LEU 68 Ca 0.17 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3ngj n LEU 68 Cb 0.51 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3ngj n LEU 68 CO 0.15 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3ngj n GLY 69 N 1.44 0.45 2.81 -0.72 0.00 0.67 -4.71 105.19 105.13 3ngj n GLY 69 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 1.00 6.18 -2.65 4.61 0.00 -1.26 -3.65 120.51 124.73 3ngj n ALA 70 Ca 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 49.18 3ngj n ALA 70 Cb 0.11 -1.65 -0.11 0.00 0.00 0.00 0.00 19.45 17.80 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 -5.19 0.30 0.60 0.00 -1.32 -1.26 -5.13 115.64 103.63 3ngj s THR 71 Ca 0.51 -1.27 -0.19 0.00 -1.21 0.00 0.00 61.69 59.53 3ngj s THR 71 Cb 0.43 -0.79 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 3ngj s THR 71 CO -0.36 -0.63 1.02 -2.65 -2.21 0.00 0.00 174.62 169.79 3ngj n PRO 72 N 1.04 0.98 -0.34 7.08 -0.02 -1.26 -4.77 135.00 137.71 3ngj n PRO 72 Ca -0.20 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3ngj n PRO 72 Cb 0.57 -2.23 0.30 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.57 0.71 0.30 2.55 0.02 -1.97 -0.17 113.55 115.57 3ngj h SER 73 Ca -0.49 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 3ngj h SER 73 Cb 1.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 3ngj h SER 73 CO 0.52 0.25 -0.35 1.05 -1.14 0.00 0.00 176.83 177.15 3ngj h GLU 74 N 0.72 0.08 -0.16 3.45 4.11 -1.96 -0.13 114.58 120.69 3ngj h GLU 74 Ca 0.55 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.86 3ngj h GLU 74 Cb 0.85 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ngj h GLU 74 CO -0.39 0.43 -0.27 0.28 0.07 0.00 0.00 179.01 179.14 3ngj h VAL 75 N 0.07 1.35 -0.69 -1.06 2.07 -1.39 -0.81 116.25 115.79 3ngj h VAL 75 Ca 0.01 -1.50 0.08 0.00 0.82 0.00 0.00 66.70 66.10 3ngj h VAL 75 Cb 0.66 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3ngj h VAL 75 CO 0.05 0.45 0.37 0.11 0.02 0.00 0.00 177.57 178.57 3ngj h LYS 76 N 0.10 0.63 -0.40 1.57 1.57 -1.10 -0.86 116.57 118.09 3ngj h LYS 76 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3ngj h LYS 76 Cb 0.85 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3ngj h LYS 76 CO 0.06 0.42 0.20 0.00 -0.57 0.00 0.00 179.45 179.56 3ngj h ALA 77 N 1.39 0.52 -0.41 3.86 0.00 -0.96 -1.28 119.26 122.38 3ngj h ALA 77 Ca 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ngj h ALA 77 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ngj h ALA 77 CO -0.22 0.07 0.17 -0.92 0.00 0.00 0.00 179.25 178.35 3ngj h TYR 78 N 0.51 0.63 -0.96 0.00 3.20 -0.69 -0.11 116.97 119.55 3ngj h TYR 78 Ca 0.14 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3ngj h TYR 78 Cb 0.11 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3ngj h TYR 78 CO -0.01 0.55 0.63 1.49 -1.64 0.00 0.00 178.16 179.17 3ngj h GLU 79 N 0.52 1.15 -0.10 1.82 4.81 -1.04 -0.91 114.58 120.84 3ngj h GLU 79 Ca 0.14 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3ngj h GLU 79 Cb 0.19 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ngj h GLU 79 CO -0.01 0.76 -0.01 1.15 -0.73 0.00 0.00 179.01 180.17 3ngj h THR 80 N 1.19 1.27 -0.44 0.32 2.02 -0.80 -1.41 112.91 115.06 3ngj h THR 80 Ca 0.39 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.75 3ngj h THR 80 Cb 0.05 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 3ngj h THR 80 CO -0.13 0.25 0.12 0.11 0.37 0.00 0.00 175.52 176.25 3ngj h LYS 81 N -0.12 0.27 -0.46 6.66 6.56 -0.52 -0.09 116.57 128.87 3ngj h LYS 81 Ca 0.03 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3ngj h LYS 81 Cb 0.40 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 3ngj h LYS 81 CO 0.01 0.18 0.25 0.28 -2.06 0.00 0.00 179.45 178.10 3ngj h VAL 82 N 0.27 1.16 -0.36 0.50 2.07 -1.09 -1.17 116.25 117.63 3ngj h VAL 82 Ca 0.21 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3ngj h VAL 82 Cb 0.24 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3ngj h VAL 82 CO -0.24 0.17 0.20 0.00 0.02 0.00 0.00 177.57 177.71 3ngj h ALA 83 N 1.10 0.46 -0.57 1.67 0.00 -0.81 0.39 119.26 121.51 3ngj h ALA 83 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3ngj h ALA 83 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ngj h ALA 83 CO -0.03 -0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.44 3ngj h VAL 84 N 0.46 1.27 -0.59 0.00 2.07 -0.93 0.19 116.25 118.71 3ngj h VAL 84 Ca 0.13 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3ngj h VAL 84 Cb 0.06 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ngj h VAL 84 CO -0.02 0.43 0.39 -0.33 0.02 0.00 0.00 177.57 178.06 3ngj h GLU 85 N 0.94 0.72 -0.01 1.57 5.08 -0.88 -2.27 114.58 119.74 3ngj h GLU 85 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ngj h GLU 85 Cb 0.61 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3ngj h GLU 85 CO 0.04 0.47 -0.01 1.04 -1.00 0.00 0.00 179.01 179.55 3ngj n GLN 86 N -4.46 1.28 0.00 2.33 6.02 0.10 -4.91 117.38 117.74 3ngj n GLN 86 Ca 0.07 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 3ngj n GLN 86 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 1.11 1.14 3.74 1.08 0.00 -0.85 -4.03 105.19 107.38 3ngj n GLY 87 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.59 -0.19 4.61 0.00 0.01 -4.74 121.76 123.04 3ngj s ALA 88 Ca 0.00 1.22 0.20 0.00 0.00 0.00 0.00 51.96 53.37 3ngj s ALA 88 Cb 0.00 -3.53 -0.29 0.00 0.00 0.00 0.00 23.12 19.31 3ngj s ALA 88 CO 0.00 -0.64 0.50 0.39 0.00 0.00 0.00 175.76 176.01 3ngj n GLU 89 N 2.66 0.62 -3.91 0.00 1.02 0.31 -4.51 120.64 116.83 3ngj n GLU 89 Ca 0.07 -0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 3ngj n GLU 89 Cb 0.41 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.26 0.18 -0.05 3.49 2.02 -0.95 -1.95 118.70 118.19 3ngj s GLU 90 Ca -0.05 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.71 3ngj s GLU 90 Cb 0.13 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.44 3ngj s GLU 90 CO 0.81 -0.03 -0.12 0.14 0.02 0.00 0.00 175.26 176.08 3ngj s VAL 91 N -0.70 1.05 -0.35 2.63 -7.23 -0.17 -1.79 120.40 113.85 3ngj s VAL 91 Ca -0.08 -0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3ngj s VAL 91 Cb -0.05 -0.95 0.08 0.00 0.56 0.00 0.00 36.38 36.03 3ngj s VAL 91 CO -0.00 0.33 0.10 -1.81 -0.31 0.00 0.00 175.10 173.40 3ngj s ASP 92 N 0.40 5.07 0.21 4.85 1.11 0.65 -0.57 116.67 128.39 3ngj s ASP 92 Ca -0.09 -1.66 -0.03 0.00 0.18 0.00 0.00 52.55 50.95 3ngj s ASP 92 Cb -0.13 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.05 3ngj s ASP 92 CO 0.02 -0.40 0.43 0.00 1.18 0.00 0.00 175.17 176.40 3ngj s MET 93 N 1.19 3.59 -0.16 8.23 0.23 -0.33 -0.69 119.30 131.35 3ngj s MET 93 Ca 0.02 -0.16 -0.08 0.00 -1.03 0.00 0.00 55.69 54.44 3ngj s MET 93 Cb -0.21 -2.79 -0.04 0.00 -1.53 0.00 0.00 34.83 30.26 3ngj s MET 93 CO -0.03 0.37 0.12 0.08 -2.03 0.00 0.00 175.02 173.53 3ngj s VAL 94 N -1.86 5.33 0.87 5.16 1.01 -0.63 -0.02 120.40 130.26 3ngj s VAL 94 Ca 0.41 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 3ngj s VAL 94 Cb -0.11 -3.38 0.12 0.00 0.00 0.00 0.00 36.38 33.01 3ngj s VAL 94 CO 0.28 0.52 1.13 0.27 0.00 0.00 0.00 175.10 177.30 3ngj s ILE 95 N -0.23 2.39 -0.71 2.22 -4.36 -1.00 -4.53 121.20 114.99 3ngj s ILE 95 Ca 0.10 0.13 -0.23 0.00 -0.26 0.00 0.00 60.65 60.39 3ngj s ILE 95 Cb -0.12 -2.29 0.06 0.00 1.25 0.00 0.00 42.46 41.37 3ngj s ILE 95 CO 0.01 -0.17 1.06 0.21 0.24 0.00 0.00 174.94 176.30 3ngj s ASN 96 N -2.84 6.21 0.34 4.36 3.84 -1.24 -4.32 114.94 121.29 3ngj s ASN 96 Ca 0.66 -0.94 0.09 0.00 0.21 0.00 0.00 52.86 52.87 3ngj s ASN 96 Cb -0.21 -2.46 0.61 0.00 -0.55 0.00 0.00 41.25 38.64 3ngj s ASN 96 CO 0.57 -1.52 1.80 0.40 -2.79 0.00 0.00 177.10 175.56 3ngj h ILE 97 N 6.01 1.26 -0.96 -5.21 2.04 -1.84 -2.35 117.51 116.45 3ngj h ILE 97 Ca -0.24 -1.23 0.14 0.00 1.00 0.00 0.00 64.86 64.53 3ngj h ILE 97 Cb 1.06 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 38.57 3ngj h ILE 97 CO 1.21 0.37 0.58 1.23 0.00 0.00 0.00 178.15 181.54 3ngj h GLY 98 N 1.04 1.62 1.01 5.37 0.00 -1.94 -0.77 103.07 109.39 3ngj h GLY 98 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3ngj h GLY 98 CO 0.05 0.06 0.29 -0.33 0.00 0.00 0.00 176.54 176.60 3ngj h MET 99 N 0.85 0.97 -0.25 4.80 2.86 -1.78 -1.57 114.93 120.81 3ngj h MET 99 Ca 0.51 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3ngj h MET 99 Cb 0.62 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3ngj h MET 99 CO -0.31 0.79 0.16 0.28 1.06 0.00 0.00 176.91 178.89 3ngj h VAL 100 N 0.92 1.05 0.00 -2.22 2.07 -1.18 -0.43 116.25 116.46 3ngj h VAL 100 Ca 0.22 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3ngj h VAL 100 Cb 0.17 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ngj h VAL 100 CO -0.02 0.06 -0.21 0.11 0.02 0.00 0.00 177.57 177.52 3ngj h LYS 101 N 0.33 0.00 -0.00 1.57 1.79 -1.01 0.95 116.57 120.20 3ngj h LYS 101 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 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 -0.03 0.21 -0.01 0.00 -1.08 0.00 0.00 179.45 178.55 3ngj n ALA 102 N -2.39 2.64 -2.29 3.86 0.00 -0.61 -4.93 120.51 116.80 3ngj n ALA 102 Ca -0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 3ngj n ALA 102 Cb 0.30 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.96 -1.76 -2.53 0.00 5.02 0.33 -4.90 118.16 113.35 3ngj n LYS 103 Ca 0.21 0.95 -0.43 0.00 -2.02 0.00 0.00 58.31 57.02 3ngj n LYS 103 Cb 0.17 -5.56 0.01 0.00 -0.02 0.00 0.00 35.03 29.63 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 -2.87 3.87 0.14 1.97 5.02 -0.22 -4.77 118.16 121.30 3ngj n LYS 104 Ca -0.22 -3.83 0.01 0.00 -2.02 0.00 0.00 58.31 52.25 3ngj n LYS 104 Cb 0.66 -2.80 0.11 0.00 -0.02 0.00 0.00 35.03 32.98 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 5.66 0.00 -0.99 2.13 0.05 -1.91 -1.28 116.97 120.63 3ngj h TYR 105 Ca 0.34 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.12 3ngj h TYR 105 Cb 0.63 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.32 3ngj h TYR 105 CO 1.18 0.58 0.64 -0.44 -1.05 0.00 0.00 178.16 179.08 3ngj h ASP 106 N 0.00 1.15 -0.55 3.88 3.32 -1.97 -1.02 116.42 121.22 3ngj h ASP 106 Ca -0.01 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3ngj h ASP 106 Cb 1.27 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3ngj h ASP 106 CO 0.08 0.84 -0.09 0.44 -1.72 0.00 0.00 179.24 178.79 3ngj h ASP 107 N 1.35 1.04 -0.34 6.45 3.32 -1.75 -1.65 116.42 124.84 3ngj h ASP 107 Ca 0.36 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3ngj h ASP 107 Cb -0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.10 3ngj h ASP 107 CO -0.08 1.14 0.14 0.58 -1.72 0.00 0.00 179.24 179.30 3ngj h VAL 108 N 0.93 0.94 -0.87 -1.35 2.07 -0.94 -1.33 116.25 115.70 3ngj h VAL 108 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3ngj h VAL 108 Cb 0.66 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3ngj h VAL 108 CO 0.05 0.05 0.54 -0.08 0.02 0.00 0.00 177.57 178.15 3ngj h GLU 109 N 0.30 1.16 -0.38 1.57 4.81 -1.01 -1.71 114.58 119.32 3ngj h GLU 109 Ca 0.15 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3ngj h GLU 109 Cb 0.09 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3ngj h GLU 109 CO -0.13 0.80 -0.11 0.87 -0.73 0.00 0.00 179.01 179.70 3ngj h LYS 110 N 1.18 0.66 -0.35 1.92 1.57 -0.97 0.85 116.57 121.43 3ngj h LYS 110 Ca 0.31 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3ngj h LYS 110 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3ngj h LYS 110 CO -0.06 0.76 0.07 0.22 -0.57 0.00 0.00 179.45 179.86 3ngj h ASP 111 N 0.60 0.55 -0.23 0.86 3.58 -0.87 -0.46 116.42 120.45 3ngj h ASP 111 Ca 0.11 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 3ngj h ASP 111 Cb 0.55 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3ngj h ASP 111 CO 0.03 0.66 0.14 0.58 -2.88 0.00 0.00 179.24 177.77 3ngj h VAL 112 N 0.42 1.10 -0.46 2.25 2.07 -1.02 -2.84 116.25 117.77 3ngj h VAL 112 Ca 0.11 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3ngj h VAL 112 Cb 0.34 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ngj h VAL 112 CO 0.00 0.10 0.31 0.50 0.02 0.00 0.00 177.57 178.50 3ngj h LYS 113 N 0.28 0.40 -0.76 1.57 1.63 -0.59 0.00 116.57 119.10 3ngj h LYS 113 Ca 0.08 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3ngj h LYS 113 Cb 0.04 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 3ngj h LYS 113 CO -0.01 0.26 0.39 0.00 -3.45 0.00 0.00 179.45 176.64 3ngj h ALA 114 N 1.75 0.98 -0.11 5.00 0.00 -0.83 0.58 119.26 126.62 3ngj h ALA 114 Ca 0.20 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3ngj h ALA 114 Cb 0.27 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ngj h ALA 114 CO -0.05 0.52 -0.70 0.28 0.00 0.00 0.00 179.25 179.30 3ngj h VAL 115 N 1.06 1.31 -0.39 0.00 2.07 -1.23 -2.63 116.25 116.45 3ngj h VAL 115 Ca 0.27 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.88 3ngj h VAL 115 Cb 0.08 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3ngj h VAL 115 CO -0.04 0.61 0.14 0.58 0.02 0.00 0.00 177.57 178.87 3ngj h VAL 116 N 0.35 0.88 -0.34 2.57 2.07 -0.87 0.94 116.25 121.84 3ngj h VAL 116 Ca -0.06 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3ngj h VAL 116 Cb 1.35 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3ngj h VAL 116 CO 0.14 0.05 0.10 0.44 0.02 0.00 0.00 177.57 178.32 3ngj h ASP 117 N 0.30 0.08 0.69 0.57 3.32 -0.92 -2.68 116.42 117.77 3ngj h ASP 117 Ca 0.18 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3ngj h ASP 117 Cb 0.16 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ngj h ASP 117 CO -0.18 0.08 -0.23 0.00 -1.72 0.00 0.00 179.24 177.19 3ngj h ALA 118 N 1.24 1.12 0.00 3.45 0.00 -1.03 -3.19 119.26 120.84 3ngj h ALA 118 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ngj h ALA 118 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ngj h ALA 118 CO -0.18 0.28 -0.25 0.66 0.00 0.00 0.00 179.25 179.76 3ngj h SER 119 N 0.00 0.00 0.00 0.00 4.64 -0.47 -3.38 113.55 114.35 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 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ngj h SER 119 CO 0.03 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3ngj n GLY 120 N -0.41 3.87 0.17 -0.77 0.00 -1.21 -1.45 105.19 105.39 3ngj n GLY 120 Ca -0.01 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -6.96 1.61 1.57 -1.94 -3.45 116.57 107.40 3ngj h LYS 121 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3ngj h LYS 121 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 3ngj h LYS 121 CO 0.00 0.00 0.44 0.00 -0.57 0.00 0.00 179.45 179.32 3ngj s ALA 122 N -3.36 3.10 0.45 3.86 0.00 -0.53 -5.02 121.76 120.26 3ngj s ALA 122 Ca 0.05 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 3ngj s ALA 122 Cb 0.09 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3ngj s ALA 122 CO 0.49 -0.33 1.08 -1.17 0.00 0.00 0.00 175.76 175.83 3ngj s LEU 123 N -2.61 4.00 -0.12 0.00 0.20 -0.82 -4.84 118.68 114.49 3ngj s LEU 123 Ca 0.58 2.09 0.01 0.00 0.69 0.00 0.00 54.13 57.50 3ngj s LEU 123 Cb -0.25 -4.32 -0.01 0.00 -0.43 0.00 0.00 46.19 41.18 3ngj s LEU 123 CO 0.31 -0.73 -0.17 -0.89 -0.29 0.00 0.00 176.35 174.58 3ngj s THR 124 N -1.71 2.74 -0.01 3.68 2.01 -1.26 -1.00 115.64 120.09 3ngj s THR 124 Ca 0.63 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.90 3ngj s THR 124 Cb -0.23 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3ngj s THR 124 CO 0.27 0.54 -0.13 -0.54 -0.69 0.00 0.00 174.62 174.07 3ngj s LYS 125 N 0.31 2.41 -0.22 4.92 1.02 0.26 -2.01 119.74 126.44 3ngj s LYS 125 Ca -0.13 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 3ngj s LYS 125 Cb -0.16 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3ngj s LYS 125 CO 0.07 0.60 -0.11 0.08 -0.92 0.00 0.00 175.35 175.06 3ngj s VAL 126 N -0.85 2.66 -0.28 3.17 1.01 -0.09 -1.19 120.40 124.82 3ngj s VAL 126 Ca 0.14 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3ngj s VAL 126 Cb -0.11 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3ngj s VAL 126 CO 0.04 0.38 1.09 -0.63 0.00 0.00 0.00 175.10 175.97 3ngj s ILE 127 N 1.34 4.53 -0.78 2.22 1.01 0.97 -0.21 121.20 130.28 3ngj s ILE 127 Ca 0.03 1.80 0.23 0.00 0.00 0.00 0.00 60.65 62.70 3ngj s ILE 127 Cb -0.15 -4.35 -0.13 0.00 0.01 0.00 0.00 42.46 37.84 3ngj s ILE 127 CO -0.07 -0.37 1.05 2.30 0.00 0.00 0.00 174.94 177.84 3ngj n ILE 128 N 5.69 0.08 -3.33 2.92 -5.35 -0.59 -2.37 119.36 116.41 3ngj n ILE 128 Ca 0.12 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 3ngj n ILE 128 Cb 0.47 0.44 0.02 0.00 -1.74 0.00 0.00 39.64 38.83 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 -1.74 -1.52 -0.29 6.28 4.07 -0.90 -4.83 120.64 121.70 3ngj n GLU 129 Ca 0.03 1.06 0.21 0.00 -0.06 0.00 0.00 57.16 58.40 3ngj n GLU 129 Cb 0.39 -4.94 0.51 0.00 -0.06 0.00 0.00 31.44 27.34 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 -3.84 0.44 -4.25 0.00 4.01 -0.66 -4.96 117.16 107.90 3ngj n TYR 132 Ca -0.01 -0.24 -0.30 0.00 -0.16 0.00 0.00 57.90 57.19 3ngj n TYR 132 Cb 0.18 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.43 3.03 0.76 7.72 1.43 -0.52 -5.11 118.68 124.58 3ngj s LEU 133 Ca 0.35 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3ngj s LEU 133 Cb 0.21 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3ngj s LEU 133 CO 0.29 0.18 1.10 0.42 0.23 0.00 0.00 176.35 178.58 3ngj s THR 134 N -1.20 3.18 0.25 5.49 -4.23 -1.26 -4.88 115.64 112.99 3ngj s THR 134 Ca 0.21 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 3ngj s THR 134 Cb -0.11 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.73 3ngj s THR 134 CO 0.13 -0.50 1.89 0.78 -0.54 0.00 0.00 174.62 176.38 3ngj h ASN 135 N -0.91 1.01 -0.75 3.99 2.35 -2.00 -0.55 115.58 118.72 3ngj h ASN 135 Ca -0.46 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3ngj h ASN 135 Cb 1.27 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 3ngj h ASN 135 CO 0.62 0.68 0.47 -0.33 -1.65 0.00 0.00 177.43 177.21 3ngj h GLU 136 N 1.17 1.01 -0.47 0.81 5.08 -2.00 -1.87 114.58 118.31 3ngj h GLU 136 Ca 0.38 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3ngj h GLU 136 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3ngj h GLU 136 CO -0.13 0.70 0.17 0.93 -1.00 0.00 0.00 179.01 179.68 3ngj h GLU 137 N 1.02 0.71 -0.43 2.33 5.08 -1.82 -1.91 114.58 119.57 3ngj h GLU 137 Ca 0.27 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3ngj h GLU 137 Cb -0.06 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3ngj h GLU 137 CO -0.05 0.66 0.18 0.87 -1.00 0.00 0.00 179.01 179.66 3ngj h LYS 138 N 0.62 0.36 0.11 2.33 1.57 -0.69 -0.56 116.57 120.30 3ngj h LYS 138 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3ngj h LYS 138 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ngj h LYS 138 CO -0.01 0.24 -0.05 0.28 -0.57 0.00 0.00 179.45 179.33 3ngj h VAL 139 N 0.37 0.96 -0.54 0.50 2.07 -1.25 -1.48 116.25 116.87 3ngj h VAL 139 Ca 0.19 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 3ngj h VAL 139 Cb 0.15 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3ngj h VAL 139 CO -0.17 0.06 0.04 -0.08 0.02 0.00 0.00 177.57 177.44 3ngj h GLU 140 N -0.25 0.92 -0.53 1.57 4.57 -1.18 -1.96 114.58 117.73 3ngj h GLU 140 Ca -0.01 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3ngj h GLU 140 Cb 0.20 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 3ngj h GLU 140 CO 0.02 0.92 0.25 0.28 -1.18 0.00 0.00 179.01 179.30 3ngj h VAL 141 N 0.81 0.91 -0.77 0.32 2.07 -1.06 -1.38 116.25 117.15 3ngj h VAL 141 Ca 0.16 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ngj h VAL 141 Cb 0.47 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3ngj h VAL 141 CO 0.02 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.19 3ngj h LYS 143 N 0.99 1.01 -0.10 0.00 1.57 -0.90 -2.32 116.57 116.82 3ngj h LYS 143 Ca 0.30 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3ngj h LYS 143 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3ngj h LYS 143 CO -0.09 0.70 -0.28 0.00 -0.57 0.00 0.00 179.45 179.21 3ngj h ARG 144 N 1.03 0.18 -0.44 3.15 2.47 -0.49 -1.79 114.38 118.49 3ngj h ARG 144 Ca 0.27 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.87 3ngj h ARG 144 Cb -0.07 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 3ngj h ARG 144 CO -0.05 0.45 0.03 0.00 0.56 0.00 0.00 179.97 180.96 3ngj h VAL 146 N 0.60 1.17 -0.50 0.00 2.07 -1.30 -1.55 116.25 116.74 3ngj h VAL 146 Ca 0.13 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3ngj h VAL 146 Cb 0.44 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3ngj h VAL 146 CO 0.02 0.18 0.34 0.00 0.02 0.00 0.00 177.57 178.13 3ngj h ALA 147 N 1.01 1.72 0.00 1.67 0.00 -1.12 -1.87 119.26 120.67 3ngj h ALA 147 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ngj h ALA 147 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ngj h ALA 147 CO -0.01 0.24 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 3ngj n ALA 148 N -2.47 2.44 -0.33 0.00 0.00 -0.36 -4.93 120.51 114.86 3ngj n ALA 148 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ngj n ALA 148 Cb 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.41 1.01 3.74 0.00 0.00 -0.70 -4.65 105.19 106.01 3ngj n GLY 149 Ca 0.06 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 3.31 0.26 4.61 0.00 -0.62 -4.93 121.76 122.38 3ngj s ALA 150 Ca 0.00 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.63 3ngj s ALA 150 Cb 0.00 -3.21 0.30 0.00 0.00 0.00 0.00 23.12 20.21 3ngj s ALA 150 CO 0.00 0.11 1.58 0.93 0.00 0.00 0.00 175.76 178.38 3ngj h GLU 151 N 4.81 0.00 -4.82 0.00 3.07 -1.73 -3.42 114.58 112.48 3ngj h GLU 151 Ca -0.44 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.06 3ngj h GLU 151 Cb 1.21 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.87 3ngj h GLU 151 CO 0.70 0.65 -0.76 0.71 -1.40 0.00 0.00 179.01 178.90 3ngj s TYR 152 N -3.52 0.86 0.05 4.33 1.51 -0.90 -1.32 117.35 118.36 3ngj s TYR 152 Ca -0.01 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3ngj s TYR 152 Cb 0.12 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 3ngj s TYR 152 CO 0.77 -0.02 -0.07 0.14 -1.11 0.00 0.00 175.55 175.26 3ngj s VAL 153 N -0.87 3.57 -0.02 0.71 -7.23 -0.26 -0.92 120.40 115.38 3ngj s VAL 153 Ca -0.02 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3ngj s VAL 153 Cb -0.07 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3ngj s VAL 153 CO 0.01 0.27 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.22 3ngj s LYS 154 N -1.78 0.91 0.20 4.82 2.20 0.70 -0.72 119.74 126.07 3ngj s LYS 154 Ca 0.19 -0.31 -0.09 0.00 -0.36 0.00 0.00 55.97 55.41 3ngj s LYS 154 Cb -0.11 -0.85 0.13 0.00 -1.51 0.00 0.00 37.83 35.49 3ngj s LYS 154 CO 0.11 0.13 1.76 1.79 -0.36 0.00 0.00 175.35 178.78 3ngj h THR 155 N 5.28 1.25 -2.80 3.43 1.35 -1.50 -1.56 112.91 118.36 3ngj h THR 155 Ca -0.33 -0.81 0.01 0.00 -0.55 0.00 0.00 66.41 64.73 3ngj h THR 155 Cb 1.17 0.40 -0.13 0.00 -1.73 0.00 0.00 68.15 67.86 3ngj h THR 155 CO 0.49 0.33 0.27 -0.44 -0.25 0.00 0.00 175.52 175.92 3ngj s SER 156 N -6.30 -0.53 0.14 5.36 0.01 -1.26 -1.02 113.70 110.11 3ngj s SER 156 Ca -0.12 0.02 0.20 0.00 1.31 0.00 0.00 55.95 57.35 3ngj s SER 156 Cb 0.15 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.87 3ngj s SER 156 CO 0.83 -0.88 0.95 0.71 0.41 0.00 0.00 173.24 175.26 3ngj h THR 157 N 2.03 0.25 0.00 1.44 1.35 -1.89 -3.45 112.91 112.64 3ngj h THR 157 Ca -0.31 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3ngj h THR 157 Cb 1.29 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3ngj h THR 157 CO 0.36 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3ngj n GLY 158 N 1.28 1.36 0.13 5.82 0.00 -1.26 -4.87 105.19 107.66 3ngj n GLY 158 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.99 1.61 3.01 -1.26 -4.96 117.46 112.88 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 1.22 -0.53 0.22 1.37 0.00 -1.26 -4.96 105.19 101.25 3ngj n GLY 160 Ca 0.04 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.55 0.95 -2.89 2.61 1.35 -1.95 -3.45 112.91 108.97 3ngj h THR 161 Ca 0.00 -0.86 0.08 0.00 -0.55 0.00 0.00 66.41 65.08 3ngj h THR 161 Cb 0.00 1.49 -0.06 0.00 -1.73 0.00 0.00 68.15 67.85 3ngj h THR 161 CO 0.00 0.23 0.27 -1.38 -0.25 0.00 0.00 175.52 174.39 3ngj s HIS 162 N -4.26 -0.22 0.00 4.73 0.00 -1.26 -5.14 115.29 109.13 3ngj s HIS 162 Ca -0.03 -0.18 0.00 0.00 -3.00 0.00 0.00 55.06 51.85 3ngj s HIS 162 Cb 0.14 0.68 0.00 0.00 -4.00 0.00 0.00 32.58 29.40 3ngj s HIS 162 CO 0.66 -1.12 0.00 0.41 -1.00 0.00 0.00 174.74 173.69 3ngj n GLY 163 N -0.45 2.57 3.73 -1.38 0.00 -1.26 -4.51 105.19 103.90 3ngj n GLY 163 Ca -0.06 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.65 3.60 0.07 4.61 0.00 -0.68 -4.81 121.76 121.89 3ngj s ALA 164 Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.25 3ngj s ALA 164 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3ngj s ALA 164 CO 0.00 -0.64 -0.18 0.95 0.00 0.00 0.00 175.76 175.88 3ngj s THR 165 N 0.33 2.79 0.38 0.00 -4.23 -1.26 -4.96 115.64 108.69 3ngj s THR 165 Ca 0.60 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 3ngj s THR 165 Cb -0.39 -2.21 0.27 0.00 1.34 0.00 0.00 72.50 71.51 3ngj s THR 165 CO 0.38 0.25 2.02 -0.65 -0.54 0.00 0.00 174.62 176.08 3ngj h PRO 166 N 4.24 0.66 -0.66 3.99 0.11 -1.96 -1.39 132.00 136.98 3ngj h PRO 166 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3ngj h PRO 166 Cb 1.16 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3ngj h PRO 166 CO 0.47 0.44 0.12 0.93 -0.21 0.00 0.00 178.00 179.74 3ngj h GLU 167 N 0.68 1.09 -0.43 1.05 3.07 -1.96 -0.87 114.58 117.21 3ngj h GLU 167 Ca 0.22 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3ngj h GLU 167 Cb 0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 3ngj h GLU 167 CO -0.05 0.99 0.07 -0.44 -1.40 0.00 0.00 179.01 178.18 3ngj h ASP 168 N 1.01 0.68 -0.22 1.42 3.32 -1.82 -1.35 116.42 119.46 3ngj h ASP 168 Ca 0.20 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3ngj h ASP 168 Cb 0.42 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3ngj h ASP 168 CO 0.01 0.77 0.05 0.58 -1.72 0.00 0.00 179.24 178.94 3ngj h VAL 169 N 0.57 0.91 -0.67 -1.35 2.07 -0.98 -0.36 116.25 116.44 3ngj h VAL 169 Ca 0.13 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ngj h VAL 169 Cb 0.38 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3ngj h VAL 169 CO 0.01 0.03 0.41 0.50 0.02 0.00 0.00 177.57 178.54 3ngj h LYS 170 N 0.15 0.91 -0.49 1.57 3.64 -1.08 0.16 116.57 121.43 3ngj h LYS 170 Ca 0.10 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ngj h LYS 170 Cb 0.09 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3ngj h LYS 170 CO -0.12 0.65 0.27 1.25 -2.27 0.00 0.00 179.45 179.22 3ngj h LEU 171 N 0.92 0.61 -0.38 5.20 5.85 -0.98 0.16 115.31 126.69 3ngj h LEU 171 Ca 0.24 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3ngj h LEU 171 Cb -0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ngj h LEU 171 CO -0.05 0.52 0.14 0.24 -0.34 0.00 0.00 178.44 178.96 3ngj h MET 172 N 0.65 0.58 -0.34 1.25 2.86 -0.76 -1.92 114.93 117.25 3ngj h MET 172 Ca 0.17 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3ngj h MET 172 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3ngj h MET 172 CO -0.03 0.57 -0.31 -0.22 1.06 0.00 0.00 176.91 177.97 3ngj h LYS 173 N 0.47 0.73 -0.60 1.72 1.63 -0.50 -1.81 116.57 118.22 3ngj h LYS 173 Ca 0.13 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 3ngj h LYS 173 Cb 0.21 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 3ngj h LYS 173 CO -0.01 0.94 0.34 -0.44 -3.45 0.00 0.00 179.45 176.83 3ngj h ASP 174 N 0.62 0.73 -0.05 4.20 3.32 -0.56 0.82 116.42 125.49 3ngj h ASP 174 Ca 0.07 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3ngj h ASP 174 Cb 0.84 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3ngj h ASP 174 CO 0.07 0.58 -0.07 0.74 -1.72 0.00 0.00 179.24 178.84 3ngj h THR 175 N 0.83 1.41 0.00 0.35 2.02 -0.94 -3.32 112.91 113.25 3ngj h THR 175 Ca 0.21 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 3ngj h THR 175 Cb 0.01 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3ngj h THR 175 CO -0.04 0.36 -0.68 -0.37 0.37 0.00 0.00 175.52 175.16 3ngj h VAL 176 N -0.36 0.27 0.00 3.16 -1.51 -1.25 -3.48 116.25 113.09 3ngj h VAL 176 Ca 0.00 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 3ngj h VAL 176 Cb 0.62 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3ngj h VAL 176 CO 0.02 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.12 3ngj n GLY 177 N 1.21 3.21 0.58 5.19 0.00 0.27 -1.29 105.19 114.37 3ngj n GLY 177 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 3.18 1.76 0.24 1.61 5.75 -1.26 -4.12 116.55 123.71 3ngj n ASP 178 Ca 0.00 -1.70 0.13 0.00 -0.01 0.00 0.00 54.79 53.22 3ngj n ASP 178 Cb 0.00 -0.10 0.36 0.00 -1.03 0.00 0.00 41.12 40.36 3ngj n ASP 178 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3ngj h LYS 179 N 2.40 0.00 -3.57 0.11 1.57 -1.59 -3.46 116.57 112.03 3ngj h LYS 179 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3ngj h LYS 179 Cb 0.52 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.76 3ngj h LYS 179 CO 0.00 0.03 -0.05 0.00 -0.57 0.00 0.00 179.45 178.86 3ngj s ALA 180 N -3.39 -0.30 0.23 3.86 0.00 -1.25 -4.95 121.76 115.97 3ngj s ALA 180 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.22 3ngj s ALA 180 Cb 0.07 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 3ngj s ALA 180 CO 0.63 -0.88 0.04 -0.51 0.00 0.00 0.00 175.76 175.03 3ngj s LEU 181 N -3.03 3.36 -0.13 0.00 1.43 -0.43 -4.68 118.68 115.20 3ngj s LEU 181 Ca 0.21 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3ngj s LEU 181 Cb -0.02 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3ngj s LEU 181 CO 0.10 0.03 -0.13 -0.69 0.23 0.00 0.00 176.35 175.89 3ngj s VAL 182 N -2.07 3.07 -0.20 -1.59 1.01 -1.26 -1.10 120.40 118.26 3ngj s VAL 182 Ca 0.30 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3ngj s VAL 182 Cb -0.08 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3ngj s VAL 182 CO 0.20 0.53 -0.01 -0.75 0.00 0.00 0.00 175.10 175.07 3ngj s LYS 183 N 0.30 3.60 -0.13 2.72 2.20 0.10 -0.38 119.74 128.15 3ngj s LYS 183 Ca -0.10 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 54.86 3ngj s LYS 183 Cb -0.16 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 3ngj s LYS 183 CO 0.05 0.02 0.27 0.00 -0.36 0.00 0.00 175.35 175.33 3ngj s ALA 184 N 0.96 3.67 0.02 3.13 0.00 -0.47 -1.32 121.76 127.76 3ngj s ALA 184 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 3ngj s ALA 184 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.70 3ngj s ALA 184 CO 0.02 0.25 0.27 0.00 0.00 0.00 0.00 175.76 176.30 3ngj s ALA 185 N -0.04 -0.64 0.00 0.00 0.00 -1.26 -0.12 121.76 119.70 3ngj s ALA 185 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3ngj s ALA 185 Cb -0.13 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3ngj s ALA 185 CO 0.05 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3ngj n GLY 186 N 0.93 -1.01 2.28 0.00 0.00 -1.23 -1.69 105.19 104.47 3ngj n GLY 186 Ca -0.20 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.59 0.47 3.47 -0.02 0.00 -1.26 -2.07 105.19 107.37 3ngj n GLY 187 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.06 4.38 -0.02 -0.61 1.01 -1.26 -4.85 121.20 117.79 3ngj s ILE 188 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.55 3ngj s ILE 188 Cb 0.00 -4.62 -0.13 0.00 0.01 0.00 0.00 42.46 37.73 3ngj s ILE 188 CO 0.00 -1.31 0.16 0.54 0.00 0.00 0.00 174.94 174.33 3ngj n ARG 189 N 7.54 0.65 -4.37 2.79 1.74 -1.26 -4.58 116.66 119.17 3ngj n ARG 189 Ca -0.02 -0.07 -0.19 0.00 -0.77 0.00 0.00 57.85 56.80 3ngj n ARG 189 Cb 0.46 -1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.53 1.19 0.19 0.55 -4.23 -1.26 -4.55 115.64 105.00 3ngj s THR 190 Ca -0.03 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 3ngj s THR 190 Cb 0.05 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.53 3ngj s THR 190 CO 0.35 -0.26 1.79 0.15 -0.54 0.00 0.00 174.62 176.11 3ngj h PHE 191 N 2.36 0.50 -0.78 3.99 3.57 -1.83 -1.19 116.94 123.55 3ngj h PHE 191 Ca -0.39 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 3ngj h PHE 191 Cb 1.23 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 3ngj h PHE 191 CO 0.60 0.24 0.39 -0.44 -2.23 0.00 0.00 178.31 176.87 3ngj h ASP 192 N 0.52 1.00 -0.07 0.41 3.32 -1.93 -0.54 116.42 119.13 3ngj h ASP 192 Ca 0.24 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3ngj h ASP 192 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3ngj h ASP 192 CO -0.17 0.83 0.01 0.44 -1.72 0.00 0.00 179.24 178.64 3ngj h ASP 193 N 1.11 0.01 -0.35 6.45 3.32 -1.84 -1.72 116.42 123.39 3ngj h ASP 193 Ca 0.27 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3ngj h ASP 193 Cb 0.08 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3ngj h ASP 193 CO -0.04 0.02 0.13 0.00 -1.72 0.00 0.00 179.24 177.63 3ngj h ALA 194 N 1.05 0.41 -0.39 3.45 0.00 -0.79 -2.70 119.26 120.29 3ngj h ALA 194 Ca 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ngj h ALA 194 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ngj h ALA 194 CO -0.04 -0.25 -0.05 0.52 0.00 0.00 0.00 179.25 179.42 3ngj h MET 195 N 0.29 0.64 -0.89 0.00 2.86 -1.01 0.74 114.93 117.57 3ngj h MET 195 Ca 0.16 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3ngj h MET 195 Cb 0.12 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 3ngj h MET 195 CO -0.15 0.70 0.58 0.87 1.06 0.00 0.00 176.91 179.97 3ngj h LYS 196 N 0.60 1.03 -0.05 1.72 1.57 -1.08 0.69 116.57 121.04 3ngj h LYS 196 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3ngj h LYS 196 Cb 0.46 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ngj h LYS 196 CO 0.02 0.68 -0.18 0.52 -0.57 0.00 0.00 179.45 179.93 3ngj h MET 197 N 1.06 0.21 -0.46 3.15 2.86 -0.97 -2.94 114.93 117.84 3ngj h MET 197 Ca 0.37 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3ngj h MET 197 Cb 0.10 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3ngj h MET 197 CO -0.12 0.79 0.26 0.82 1.06 0.00 0.00 176.91 179.72 3ngj h ILE 198 N -0.33 1.15 0.00 -1.22 2.04 -0.64 -1.83 117.51 116.69 3ngj h ILE 198 Ca -0.01 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3ngj h ILE 198 Cb 0.81 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3ngj h ILE 198 CO 0.04 0.16 -0.02 0.78 0.00 0.00 0.00 178.15 179.11 3ngj h ASN 199 N 0.61 0.00 -0.18 1.72 2.35 -0.94 -1.56 115.58 117.58 3ngj h ASN 199 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3ngj h ASN 199 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3ngj h ASN 199 CO -0.03 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.36 3ngj n ASN 200 N -3.15 2.45 0.00 5.81 3.02 -0.82 -4.94 115.26 117.63 3ngj n ASN 200 Ca -0.01 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 3ngj n ASN 200 Cb 0.22 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.30 0.77 3.72 7.41 0.00 -0.59 -3.39 105.19 114.41 3ngj n GLY 201 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.71 3.45 -1.07 4.61 0.00 -0.75 -4.37 121.76 121.92 3ngj s ALA 202 Ca 0.00 0.94 0.23 0.00 0.00 0.00 0.00 51.96 53.12 3ngj s ALA 202 Cb 0.00 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3ngj s ALA 202 CO 0.00 -0.46 1.10 0.43 0.00 0.00 0.00 175.76 176.83 3ngj n SER 203 N 3.54 0.88 -3.74 0.00 7.64 0.49 -4.46 113.62 117.97 3ngj n SER 203 Ca 0.08 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 59.05 3ngj n SER 203 Cb 0.45 0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.96 0.65 -0.13 1.43 6.06 -1.17 -4.73 118.95 118.10 3ngj s ARG 204 Ca 0.10 0.00 0.02 0.00 -2.50 0.00 0.00 55.73 53.35 3ngj s ARG 204 Cb 0.17 0.29 0.02 0.00 0.06 0.00 0.00 34.95 35.49 3ngj s ARG 204 CO 0.79 -0.17 -0.17 0.42 -2.50 0.00 0.00 175.30 173.68 3ngj s ILE 205 N -0.98 1.65 -0.20 4.11 -1.09 0.86 -1.36 121.20 124.20 3ngj s ILE 205 Ca -0.10 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.44 3ngj s ILE 205 Cb -0.04 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 3ngj s ILE 205 CO 0.04 0.47 0.38 -0.83 -1.23 0.00 0.00 174.94 173.77 3ngj s GLY 206 N 1.08 2.10 0.18 6.18 0.00 0.83 -0.41 107.32 117.28 3ngj s GLY 206 Ca -0.04 -0.53 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 3ngj s GLY 206 CO -0.04 0.76 0.57 0.00 0.00 0.00 0.00 173.10 174.39 3ngj s ALA 207 N 1.19 -1.33 -0.07 3.20 0.00 -1.01 -3.52 121.76 120.23 3ngj s ALA 207 Ca 0.18 0.17 0.21 0.00 0.00 0.00 0.00 51.96 52.52 3ngj s ALA 207 Cb -0.14 0.85 -0.31 0.00 0.00 0.00 0.00 23.12 23.51 3ngj s ALA 207 CO 0.07 -0.79 0.38 -1.13 0.00 0.00 0.00 175.76 174.29 3ngj n SER 208 N -0.36 0.13 -1.54 0.00 3.41 -1.26 -1.15 113.62 112.84 3ngj n SER 208 Ca -0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.39 3ngj n SER 208 Cb 0.64 1.76 0.13 0.00 -0.26 0.00 0.00 64.21 66.48 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 -2.35 3.89 -0.29 7.33 0.00 -1.26 -4.65 120.51 123.19 3ngj n ALA 209 Ca -0.10 -1.40 0.09 0.00 0.00 0.00 0.00 53.44 52.03 3ngj n ALA 209 Cb 0.68 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 19.19 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 3.02 1.34 0.87 0.00 0.00 -1.91 0.46 103.07 106.85 3ngj h GLY 210 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3ngj h GLY 210 CO 0.50 -0.16 0.06 -2.22 0.00 0.00 0.00 176.54 174.72 3ngj h ILE 211 N 0.46 1.18 -0.78 2.60 2.04 -1.99 -0.71 117.51 120.30 3ngj h ILE 211 Ca 0.48 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3ngj h ILE 211 Cb 0.81 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3ngj h ILE 211 CO -0.45 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.30 3ngj h ALA 212 N 0.89 1.28 -0.08 1.87 0.00 -1.75 -1.90 119.26 119.56 3ngj h ALA 212 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ngj h ALA 212 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ngj h ALA 212 CO -0.00 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.68 3ngj h ILE 213 N 1.09 0.98 -0.86 0.00 2.04 -0.65 -1.23 117.51 118.88 3ngj h ILE 213 Ca 0.28 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3ngj h ILE 213 Cb 0.03 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3ngj h ILE 213 CO -0.04 0.01 0.57 -0.07 0.00 0.00 0.00 178.15 178.62 3ngj h LEU 214 N 0.07 0.99 -0.09 1.44 3.38 -0.79 -2.57 115.31 117.74 3ngj h LEU 214 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ngj h LEU 214 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3ngj h LEU 214 CO -0.03 0.71 -0.08 0.59 0.09 0.00 0.00 178.44 179.72 3ngj n ASN 215 N -4.41 0.22 -1.21 -0.43 3.02 -0.75 -3.58 115.26 108.12 3ngj n ASN 215 Ca 0.10 -0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.56 3ngj n ASN 215 Cb 0.03 -0.20 0.28 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.34 1.99 3.71 7.41 0.00 -0.48 -4.99 105.19 114.16 3ngj n GLY 216 Ca 0.12 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3ngj n GLY 216 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ngj n ILE 217 N 1.48 0.52 -1.78 -0.61 5.41 -1.23 -4.74 119.36 118.40 3ngj n ILE 217 Ca 0.22 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3ngj n ILE 217 Cb 0.58 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 3ngj n ILE 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55