#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngj n GLY -1 N 0.00 0.54 3.82 -1.23 0.00 -1.26 -5.03 105.19 102.03 3ngj n GLY -1 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 3ngj n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ngj s SER 0 N -2.40 5.44 0.13 1.61 1.04 -1.26 -4.97 113.70 113.29 3ngj s SER 0 Ca 0.00 1.65 -0.31 0.00 0.48 0.00 0.00 55.95 57.77 3ngj s SER 0 Cb 0.00 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 3ngj s SER 0 CO 0.00 -1.40 1.45 -0.32 0.98 0.00 0.00 173.24 173.95 3ngj s MET 1 N -4.89 4.28 0.49 4.02 -2.45 -1.26 -5.04 119.30 114.46 3ngj s MET 1 Ca 0.59 2.17 0.06 0.00 -1.25 0.00 0.00 55.69 57.26 3ngj s MET 1 Cb -0.14 -3.22 0.01 0.00 1.25 0.00 0.00 34.83 32.72 3ngj s MET 1 CO 0.52 -0.50 0.33 0.16 1.05 0.00 0.00 175.02 176.59 3ngj s ASP 2 N 1.14 4.63 0.11 1.11 1.47 -1.26 -4.97 116.67 118.90 3ngj s ASP 2 Ca 0.66 -1.15 -0.13 0.00 1.18 0.00 0.00 52.55 53.11 3ngj s ASP 2 Cb -0.39 0.07 -0.09 0.00 -0.34 0.00 0.00 42.92 42.17 3ngj s ASP 2 CO 0.30 -0.90 1.40 0.07 0.68 0.00 0.00 175.17 176.72 3ngj h LYS 3 N 0.97 0.81 -0.55 2.11 5.09 -1.96 -0.80 116.57 122.23 3ngj h LYS 3 Ca -0.39 -0.49 -0.03 0.00 0.09 0.00 0.00 60.65 59.82 3ngj h LYS 3 Cb 1.29 0.05 -0.02 0.00 0.10 0.00 0.00 32.23 33.64 3ngj h LYS 3 CO 0.61 1.12 0.22 0.00 -2.09 0.00 0.00 179.45 179.32 3ngj h ALA 4 N 0.67 0.72 -0.12 0.07 0.00 -1.97 -0.13 119.26 118.50 3ngj h ALA 4 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ngj h ALA 4 Cb 1.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ngj h ALA 4 CO 0.11 0.33 0.02 1.15 0.00 0.00 0.00 179.25 180.85 3ngj h THR 5 N 0.75 1.21 -0.60 0.00 2.02 -1.97 -3.16 112.91 111.17 3ngj h THR 5 Ca 0.18 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3ngj h THR 5 Cb 0.19 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3ngj h THR 5 CO -0.02 0.20 0.17 0.25 0.37 0.00 0.00 175.52 176.49 3ngj h LEU 6 N -0.02 0.85 -1.73 2.58 5.85 -0.95 -2.44 115.31 119.46 3ngj h LEU 6 Ca 0.04 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3ngj h LEU 6 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ngj h LEU 6 CO 0.00 0.81 0.21 0.00 -0.34 0.00 0.00 178.44 179.13 3ngj h ALA 7 N 1.30 1.86 0.00 1.25 0.00 -0.99 -1.15 119.26 121.53 3ngj h ALA 7 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ngj h ALA 7 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ngj h ALA 7 CO -0.01 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.99 3ngj n LYS 8 N -4.49 0.58 0.15 0.00 4.76 -0.92 -1.67 118.16 116.57 3ngj n LYS 8 Ca 0.02 0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 3ngj n LYS 8 Cb 0.12 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 31.99 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 -3.42 2.13 0.05 -1.28 -3.39 116.97 111.06 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 0.16 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.79 3ngj h TYR 9 CO 0.00 0.00 -0.24 0.42 -1.05 0.00 0.00 178.16 177.29 3ngj s ILE 10 N -3.22 5.23 -0.46 -2.88 1.01 -0.67 0.17 121.20 120.39 3ngj s ILE 10 Ca 0.06 0.67 -0.15 0.00 0.00 0.00 0.00 60.65 61.23 3ngj s ILE 10 Cb 0.09 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.92 3ngj s ILE 10 CO 0.69 0.30 0.37 -1.81 0.00 0.00 0.00 174.94 174.49 3ngj s ASP 11 N 0.84 6.11 -0.41 3.58 1.01 0.08 -0.89 116.67 126.98 3ngj s ASP 11 Ca 0.19 -1.27 -0.29 0.00 0.71 0.00 0.00 52.55 51.89 3ngj s ASP 11 Cb -0.14 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.64 3ngj s ASP 11 CO 0.07 -0.61 1.21 -2.28 0.21 0.00 0.00 175.17 173.77 3ngj s HIS 12 N 1.63 2.77 -0.09 4.23 2.46 -0.04 -2.40 115.29 123.87 3ngj s HIS 12 Ca 0.04 0.82 0.03 0.00 0.47 0.00 0.00 55.06 56.42 3ngj s HIS 12 Cb -0.23 -4.20 -0.01 0.00 -0.13 0.00 0.00 32.58 28.01 3ngj s HIS 12 CO 0.07 -1.38 -0.19 0.99 -2.47 0.00 0.00 174.74 171.75 3ngj s THR 13 N 4.49 2.55 -0.16 0.89 2.01 -0.34 -0.95 115.64 124.13 3ngj s THR 13 Ca 0.51 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 3ngj s THR 13 Cb -0.11 -2.00 0.07 0.00 0.01 0.00 0.00 72.50 70.48 3ngj s THR 13 CO 0.28 0.56 0.16 -0.22 -0.69 0.00 0.00 174.62 174.71 3ngj s LEU 14 N -0.02 0.03 0.00 4.42 2.96 -0.49 -4.31 118.68 121.27 3ngj s LEU 14 Ca -0.06 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3ngj s LEU 14 Cb -0.15 0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.71 3ngj s LEU 14 CO 0.05 -0.31 0.42 0.18 -1.32 0.00 0.00 176.35 175.37 3ngj n LEU 15 N 5.31 0.63 -4.76 -0.68 4.77 -1.26 -4.13 117.00 116.88 3ngj n LEU 15 Ca -0.06 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 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 0.16 1.07 0.29 -1.33 0.00 0.00 177.39 177.66 3ngj n LYS 16 N -0.09 2.53 0.19 3.23 5.02 -1.26 -4.88 118.16 122.90 3ngj n LYS 16 Ca 0.00 0.89 0.09 0.00 -2.02 0.00 0.00 58.31 57.26 3ngj n LYS 16 Cb 0.24 -2.58 0.61 0.00 -0.02 0.00 0.00 35.03 33.27 3ngj n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ngj h ALA 17 N 2.83 2.00 -0.58 7.82 0.00 -2.05 -2.22 119.26 127.06 3ngj h ALA 17 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3ngj h ALA 17 Cb 1.25 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3ngj h ALA 17 CO 0.64 -0.02 0.07 -0.40 0.00 0.00 0.00 179.25 179.54 3ngj n ASP 18 N -4.51 5.28 -4.76 0.00 5.75 -1.26 -4.99 116.55 112.05 3ngj n ASP 18 Ca -0.01 -3.04 -0.39 0.00 -0.01 0.00 0.00 54.79 51.35 3ngj n ASP 18 Cb 0.14 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 39.56 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 3.06 0.18 2.12 0.00 -0.84 -5.00 121.76 118.43 3ngj s ALA 19 Ca 0.54 1.36 0.07 0.00 0.00 0.00 0.00 51.96 53.93 3ngj s ALA 19 Cb 0.42 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3ngj s ALA 19 CO 0.14 -1.20 0.04 0.95 0.00 0.00 0.00 175.76 175.69 3ngj s THR 20 N -1.27 3.90 0.28 0.00 -4.23 -1.26 -5.00 115.64 108.06 3ngj s THR 20 Ca 0.65 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3ngj s THR 20 Cb -0.41 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 70.72 3ngj s THR 20 CO 0.51 -0.15 1.67 -0.08 -0.54 0.00 0.00 174.62 176.04 3ngj h GLU 21 N 2.50 0.28 -0.79 3.99 4.81 -1.99 -0.76 114.58 122.62 3ngj h GLU 21 Ca -0.47 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3ngj h GLU 21 Cb 1.21 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3ngj h GLU 21 CO 0.59 0.19 0.37 0.93 -0.73 0.00 0.00 179.01 180.36 3ngj h GLU 22 N 0.29 1.14 -0.27 1.92 3.07 -1.99 -0.14 114.58 118.60 3ngj h GLU 22 Ca 0.52 -0.17 -0.16 0.00 -0.50 0.00 0.00 59.36 59.05 3ngj h GLU 22 Cb 1.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 3ngj h GLU 22 CO -0.58 0.88 -0.48 1.96 -1.40 0.00 0.00 179.01 179.39 3ngj h GLN 23 N 1.12 0.73 -0.35 2.33 4.20 -1.64 -1.66 115.11 119.85 3ngj h GLN 23 Ca 0.27 -0.43 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3ngj h GLN 23 Cb 0.13 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3ngj h GLN 23 CO -0.03 1.05 -0.10 0.82 -0.67 0.00 0.00 178.83 179.90 3ngj h ILE 24 N 0.58 1.28 -0.86 2.54 1.08 -0.87 -0.35 117.51 120.92 3ngj h ILE 24 Ca 0.03 -1.17 0.03 0.00 -0.39 0.00 0.00 64.86 63.36 3ngj h ILE 24 Cb 1.05 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 3ngj h ILE 24 CO 0.10 0.38 0.55 0.03 -0.69 0.00 0.00 178.15 178.53 3ngj h ARG 25 N 0.46 1.05 -0.60 2.37 3.08 -0.92 -1.35 114.38 118.47 3ngj h ARG 25 Ca 0.09 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3ngj h ARG 25 Cb 0.61 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3ngj h ARG 25 CO 0.04 0.69 0.18 -0.22 -1.07 0.00 0.00 179.97 179.59 3ngj h LYS 26 N 1.08 0.93 -0.40 0.04 1.63 -1.15 -1.04 116.57 117.66 3ngj h LYS 26 Ca 0.34 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3ngj h LYS 26 Cb -0.00 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3ngj h LYS 26 CO -0.11 0.83 0.18 1.25 -3.45 0.00 0.00 179.45 178.15 3ngj h LEU 27 N 0.85 0.25 -0.48 5.20 5.85 -0.56 -0.11 115.31 126.30 3ngj h LEU 27 Ca 0.19 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3ngj h LEU 27 Cb 0.29 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3ngj h LEU 27 CO -0.01 0.19 0.09 0.00 -0.34 0.00 0.00 178.44 178.37 3ngj h SER 29 N 0.67 0.57 -0.40 0.00 0.87 -0.84 -1.41 113.55 113.01 3ngj h SER 29 Ca 0.15 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3ngj h SER 29 Cb 0.38 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3ngj h SER 29 CO 0.01 0.53 0.24 -0.33 -0.53 0.00 0.00 176.83 176.75 3ngj h GLU 30 N 0.56 0.47 -0.76 2.24 5.08 -0.95 -1.68 114.58 119.54 3ngj h GLU 30 Ca 0.15 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3ngj h GLU 30 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3ngj h GLU 30 CO -0.02 0.31 0.26 0.00 -1.00 0.00 0.00 179.01 178.56 3ngj h ALA 31 N 1.18 0.99 -0.41 3.43 0.00 -1.01 -0.42 119.26 123.02 3ngj h ALA 31 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ngj h ALA 31 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ngj h ALA 31 CO -0.07 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.07 3ngj h ALA 32 N 1.14 0.52 -0.28 0.00 0.00 -1.12 0.83 119.26 120.35 3ngj h ALA 32 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ngj h ALA 32 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ngj h ALA 32 CO -0.01 0.03 -0.00 1.49 0.00 0.00 0.00 179.25 180.75 3ngj h GLU 33 N 0.54 0.50 -0.01 0.00 4.81 -0.92 -3.21 114.58 116.28 3ngj h GLU 33 Ca 0.15 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3ngj h GLU 33 Cb 0.02 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3ngj h GLU 33 CO -0.03 0.66 -0.19 0.66 -0.73 0.00 0.00 179.01 179.39 3ngj n TYR 34 N -4.58 0.00 -3.56 0.92 4.02 -0.20 -4.96 117.16 108.80 3ngj n TYR 34 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.66 3ngj n TYR 34 Cb 0.26 -0.08 0.07 0.00 -0.02 0.00 0.00 39.34 39.56 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 -0.38 -6.24 -1.02 -0.72 4.76 0.24 -4.85 118.16 109.95 3ngj n LYS 35 Ca 0.14 0.76 -0.31 0.00 -2.87 0.00 0.00 58.31 56.03 3ngj n LYS 35 Cb 0.36 -5.65 0.13 0.00 -1.84 0.00 0.00 35.03 28.03 3ngj n LYS 35 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ngj s PHE 36 N -3.44 2.17 0.16 2.13 0.08 -0.94 -4.15 117.98 113.99 3ngj s PHE 36 Ca 0.12 1.63 -0.15 0.00 0.12 0.00 0.00 56.93 58.66 3ngj s PHE 36 Cb -0.06 -3.17 0.04 0.00 -0.57 0.00 0.00 43.02 39.27 3ngj s PHE 36 CO 0.76 -2.26 1.82 0.00 -0.10 0.00 0.00 175.22 175.45 3ngj h ALA 37 N -1.47 0.58 -2.85 5.36 0.00 -0.83 -3.42 119.26 116.64 3ngj h ALA 37 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3ngj h ALA 37 Cb 1.25 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 3ngj h ALA 37 CO 0.47 0.01 -0.01 -1.12 0.00 0.00 0.00 179.25 178.61 3ngj s SER 38 N -5.59 -0.22 0.04 0.00 0.01 -1.12 -1.59 113.70 105.23 3ngj s SER 38 Ca -0.13 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 3ngj s SER 38 Cb 0.12 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 3ngj s SER 38 CO 0.73 -1.06 0.24 0.68 0.41 0.00 0.00 173.24 174.24 3ngj s VAL 39 N -3.89 5.35 -0.20 3.43 -7.23 -0.63 -0.86 120.40 116.38 3ngj s VAL 39 Ca 0.11 -0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 3ngj s VAL 39 Cb -0.01 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.39 3ngj s VAL 39 CO -0.01 0.24 -0.11 0.00 -0.31 0.00 0.00 175.10 174.91 3ngj s VAL 41 N 1.39 0.63 0.65 0.00 -7.23 -0.82 -1.40 120.40 113.62 3ngj s VAL 41 Ca -0.01 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 3ngj s VAL 41 Cb -0.16 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 3ngj s VAL 41 CO -0.08 -0.65 1.10 0.20 -0.31 0.00 0.00 175.10 175.36 3ngj s ASN 42 N -3.11 5.20 0.54 4.85 0.01 -1.26 -3.45 114.94 117.72 3ngj s ASN 42 Ca 0.19 1.97 0.25 0.00 -0.71 0.00 0.00 52.86 54.56 3ngj s ASN 42 Cb 0.06 -2.55 1.43 0.00 0.41 0.00 0.00 41.25 40.60 3ngj s ASN 42 CO -0.00 -1.57 2.02 -0.65 -1.51 0.00 0.00 177.10 175.39 3ngj h PRO 43 N 0.07 0.00 -0.15 -0.60 0.11 -1.96 -1.25 132.00 128.22 3ngj h PRO 43 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3ngj h PRO 43 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ngj h PRO 43 CO 0.55 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.44 3ngj h THR 44 N 0.00 0.90 -0.04 -1.15 1.03 -1.97 -2.49 112.91 109.18 3ngj h THR 44 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.59 3ngj h THR 44 Cb 0.83 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 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 -4.46 0.03 -0.03 0.00 7.02 -0.47 -4.47 117.44 115.07 3ngj n TRP 45 Ca 0.01 -0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 3ngj n TRP 45 Cb 0.24 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 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 2.96 0.85 -0.71 -0.99 2.07 -1.56 -1.79 116.25 117.07 3ngj h VAL 46 Ca 0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3ngj h VAL 46 Cb 0.63 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3ngj h VAL 46 CO 0.00 0.00 0.29 -0.65 0.02 0.00 0.00 177.57 177.24 3ngj h PRO 47 N 0.02 1.05 -0.10 1.57 0.11 -1.78 0.17 132.00 133.04 3ngj h PRO 47 Ca 0.08 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3ngj h PRO 47 Cb 0.11 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ngj h PRO 47 CO -0.16 0.84 0.04 1.25 -0.21 0.00 0.00 178.00 179.76 3ngj h LEU 48 N 1.03 0.14 -0.82 2.35 5.85 -1.81 -1.77 115.31 120.28 3ngj h LEU 48 Ca 0.24 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3ngj h LEU 48 Cb 0.18 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ngj h LEU 48 CO -0.02 0.28 0.27 0.00 -0.34 0.00 0.00 178.44 178.63 3ngj h ALA 50 N 1.18 1.27 -0.20 0.00 0.00 -0.45 -0.64 119.26 120.42 3ngj h ALA 50 Ca 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ngj h ALA 50 Cb 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ngj h ALA 50 CO -0.02 0.66 -0.17 1.49 0.00 0.00 0.00 179.25 181.21 3ngj h GLU 51 N 1.33 0.47 -0.09 0.00 4.81 -0.92 -2.89 114.58 117.29 3ngj h GLU 51 Ca 0.35 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3ngj h GLU 51 Cb -0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3ngj h GLU 51 CO -0.07 0.81 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.66 3ngj h LEU 52 N 0.15 0.17 -2.42 1.64 3.38 -0.89 -3.05 115.31 114.29 3ngj h LEU 52 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ngj h LEU 52 Cb 0.71 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ngj h LEU 52 CO 0.04 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.21 3ngj n LEU 53 N -4.15 3.59 -4.70 1.67 4.77 -0.27 -4.93 117.00 112.97 3ngj n LEU 53 Ca -0.01 -1.61 -0.43 0.00 -0.03 0.00 0.00 56.01 53.92 3ngj n LEU 53 Cb 0.37 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3ngj n LEU 53 CO 0.39 0.81 1.07 0.29 -1.33 0.00 0.00 177.39 178.61 3ngj n LYS 54 N 1.54 2.27 -1.49 3.23 4.76 -1.09 -1.95 118.16 125.43 3ngj n LYS 54 Ca 0.21 0.81 -0.12 0.00 -2.87 0.00 0.00 58.31 56.34 3ngj n LYS 54 Cb 0.61 -2.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.27 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 1.83 1.05 0.00 0.72 0.00 -1.26 -4.93 105.19 102.59 3ngj n GLY 55 Ca 0.09 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.89 0.00 0.00 2.61 -2.24 -0.82 -5.02 114.28 105.91 3ngj n THR 56 Ca -0.12 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3ngj n THR 56 Cb 0.42 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.96 2.73 3.70 3.38 0.00 -1.26 -4.98 105.19 110.71 3ngj n GLY 57 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.11 4.90 0.39 1.61 1.01 -1.26 -4.92 120.40 120.02 3ngj s VAL 58 Ca 0.00 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 3ngj s VAL 58 Cb 0.00 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3ngj s VAL 58 CO 0.00 0.13 0.81 -0.54 0.00 0.00 0.00 175.10 175.50 3ngj s LYS 59 N 1.32 3.96 -0.36 2.72 -0.14 -0.62 -4.91 119.74 121.72 3ngj s LYS 59 Ca 0.45 0.71 -0.16 0.00 -1.36 0.00 0.00 55.97 55.61 3ngj s LYS 59 Cb -0.19 -2.35 -0.00 0.00 -1.68 0.00 0.00 37.83 33.61 3ngj s LYS 59 CO 0.21 0.02 0.42 0.08 -0.76 0.00 0.00 175.35 175.32 3ngj s VAL 60 N -2.20 5.11 -0.04 3.17 1.01 -1.26 -1.60 120.40 124.59 3ngj s VAL 60 Ca 0.55 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3ngj s VAL 60 Cb -0.10 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3ngj s VAL 60 CO 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 175.10 175.06 3ngj s THR 62 N -0.90 0.25 0.08 0.00 -1.32 -0.68 -1.95 115.64 111.12 3ngj s THR 62 Ca 0.15 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.72 3ngj s THR 62 Cb -0.11 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 3ngj s THR 62 CO 0.04 0.00 -0.26 0.68 -2.21 0.00 0.00 174.62 172.87 3ngj s VAL 63 N -3.47 2.24 -0.07 5.08 -7.23 -1.22 -0.65 120.40 115.08 3ngj s VAL 63 Ca 0.35 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 3ngj s VAL 63 Cb 0.03 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 35.06 3ngj s VAL 63 CO 0.21 0.26 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.50 3ngj s ILE 64 N -0.92 1.14 -1.40 -0.62 -1.09 -0.28 -4.47 121.20 113.56 3ngj s ILE 64 Ca 0.13 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 3ngj s ILE 64 Cb -0.10 -1.05 0.02 0.00 -1.58 0.00 0.00 42.46 39.75 3ngj s ILE 64 CO 0.04 0.36 1.12 0.61 -1.23 0.00 0.00 174.94 175.84 3ngj n GLY 65 N 3.94 -0.54 3.54 6.18 0.00 -1.26 -1.69 105.19 115.37 3ngj n GLY 65 Ca -0.22 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.31 2.82 -2.68 1.61 5.36 -1.26 -0.20 117.98 120.32 3ngj s PHE 66 Ca 0.59 -0.07 0.26 0.00 -0.96 0.00 0.00 56.93 56.75 3ngj s PHE 66 Cb -0.27 -1.63 0.69 0.00 -0.34 0.00 0.00 43.02 41.47 3ngj s PHE 66 CO 0.73 0.30 1.54 -0.35 -1.46 0.00 0.00 175.22 175.98 3ngj n PRO 67 N 1.97 1.95 0.02 10.12 -0.04 -1.26 -4.89 135.00 142.86 3ngj n PRO 67 Ca -0.17 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 3ngj n PRO 67 Cb 0.52 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.67 0.72 0.00 1.53 4.77 -1.23 -4.96 117.00 118.49 3ngj n LEU 68 Ca 0.17 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3ngj n LEU 68 Cb 0.45 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3ngj n LEU 68 CO 0.16 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3ngj n GLY 69 N 1.41 0.37 2.77 -0.72 0.00 0.72 -4.72 105.19 105.02 3ngj n GLY 69 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 6.02 -2.52 4.61 0.00 -1.26 -3.62 120.51 124.73 3ngj n ALA 70 Ca 0.00 -4.21 -0.11 0.00 0.00 0.00 0.00 53.44 49.12 3ngj n ALA 70 Cb 0.15 -1.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 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 -5.20 0.53 0.73 0.00 -1.32 -1.26 -5.13 115.64 104.00 3ngj s THR 71 Ca 0.50 -1.47 -0.15 0.00 -1.21 0.00 0.00 61.69 59.36 3ngj s THR 71 Cb 0.42 -1.09 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 3ngj s THR 71 CO -0.33 -0.65 1.23 -2.84 -2.21 0.00 0.00 174.62 169.82 3ngj s PRO 72 N -2.69 2.09 0.28 7.08 0.02 -1.26 -4.75 135.00 135.77 3ngj s PRO 72 Ca -0.00 1.84 0.02 0.00 0.02 0.00 0.00 61.00 62.88 3ngj s PRO 72 Cb -0.02 -1.82 0.63 0.00 0.02 0.00 0.00 34.50 33.30 3ngj s PRO 72 CO -0.03 -1.89 1.78 0.77 -0.33 0.00 0.00 177.00 177.30 3ngj h SER 73 N -0.27 0.68 -0.09 2.53 0.02 -1.97 -1.23 113.55 113.23 3ngj h SER 73 Ca -0.48 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 3ngj h SER 73 Cb 1.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3ngj h SER 73 CO 0.49 0.27 -0.07 1.05 -1.14 0.00 0.00 176.83 177.44 3ngj h GLU 74 N 0.72 0.35 -0.20 3.45 9.09 -1.96 0.65 114.58 126.68 3ngj h GLU 74 Ca 0.52 -0.07 -0.08 0.00 0.05 0.00 0.00 59.36 59.77 3ngj h GLU 74 Cb 0.74 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.79 3ngj h GLU 74 CO -0.36 0.44 -0.19 0.28 0.05 0.00 0.00 179.01 179.22 3ngj h VAL 75 N 0.34 1.33 -0.78 -1.06 2.07 -1.59 -0.94 116.25 115.61 3ngj h VAL 75 Ca 0.07 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.30 3ngj h VAL 75 Cb 0.34 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3ngj h VAL 75 CO 0.02 0.41 0.47 0.11 0.02 0.00 0.00 177.57 178.59 3ngj h LYS 76 N 0.17 0.82 -0.53 1.57 1.57 -0.97 -0.98 116.57 118.21 3ngj h LYS 76 Ca 0.03 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3ngj h LYS 76 Cb 0.74 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3ngj h LYS 76 CO 0.05 0.54 0.08 0.00 -0.57 0.00 0.00 179.45 179.55 3ngj h ALA 77 N 1.38 0.71 -0.35 3.86 0.00 -0.80 -1.66 119.26 122.40 3ngj h ALA 77 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ngj h ALA 77 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ngj h ALA 77 CO -0.18 0.46 0.03 -0.92 0.00 0.00 0.00 179.25 178.64 3ngj h TYR 78 N 0.77 0.65 -0.94 0.00 3.20 -0.84 -0.78 116.97 119.03 3ngj h TYR 78 Ca 0.16 -0.10 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3ngj h TYR 78 Cb 0.41 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 3ngj h TYR 78 CO 0.03 0.68 0.60 1.49 -1.64 0.00 0.00 178.16 179.32 3ngj h GLU 79 N 0.43 1.05 -0.12 1.82 4.81 -1.10 -1.13 114.58 120.33 3ngj h GLU 79 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ngj h GLU 79 Cb 0.40 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3ngj h GLU 79 CO 0.01 0.70 0.06 1.15 -0.73 0.00 0.00 179.01 180.20 3ngj h THR 80 N 1.08 1.11 -0.39 0.32 2.02 -1.07 -1.12 112.91 114.87 3ngj h THR 80 Ca 0.41 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.33 3ngj h THR 80 Cb 0.18 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3ngj h THR 80 CO -0.18 0.10 0.15 0.11 0.37 0.00 0.00 175.52 176.07 3ngj h LYS 81 N 0.09 0.32 -0.36 6.66 6.56 -0.63 0.50 116.57 129.71 3ngj h LYS 81 Ca 0.04 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 3ngj h LYS 81 Cb 0.10 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3ngj h LYS 81 CO -0.01 0.21 0.09 0.28 -2.06 0.00 0.00 179.45 177.97 3ngj h VAL 82 N 0.33 1.22 -0.49 0.50 2.07 -1.18 -0.85 116.25 117.85 3ngj h VAL 82 Ca 0.17 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3ngj h VAL 82 Cb 0.13 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ngj h VAL 82 CO -0.16 0.25 0.24 0.00 0.02 0.00 0.00 177.57 177.92 3ngj h ALA 83 N 0.94 0.62 -0.48 1.67 0.00 -0.80 -0.68 119.26 120.52 3ngj h ALA 83 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3ngj h ALA 83 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ngj h ALA 83 CO 0.00 -0.12 -0.15 0.28 0.00 0.00 0.00 179.25 179.27 3ngj h VAL 84 N 0.47 1.27 -0.87 0.00 2.07 -0.73 -1.13 116.25 117.34 3ngj h VAL 84 Ca 0.22 -1.29 0.08 0.00 0.82 0.00 0.00 66.70 66.52 3ngj h VAL 84 Cb 0.13 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3ngj h VAL 84 CO -0.16 0.45 0.56 -0.33 0.02 0.00 0.00 177.57 178.11 3ngj h GLU 85 N 0.81 0.89 -0.00 1.57 5.08 -0.77 -2.33 114.58 119.82 3ngj h GLU 85 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ngj h GLU 85 Cb 0.71 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ngj h GLU 85 CO 0.05 0.59 -0.06 1.04 -1.00 0.00 0.00 179.01 179.63 3ngj n GLN 86 N -4.51 0.69 0.00 2.33 6.02 -0.30 -4.91 117.38 116.72 3ngj n GLN 86 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3ngj n GLN 86 Cb 0.26 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.23 0.98 3.74 1.08 0.00 -0.88 -3.96 105.19 107.39 3ngj n GLY 87 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.85 3.61 -0.49 4.61 0.00 -0.47 -4.72 121.76 122.45 3ngj s ALA 88 Ca 0.00 1.27 0.15 0.00 0.00 0.00 0.00 51.96 53.38 3ngj s ALA 88 Cb 0.00 -3.54 -0.18 0.00 0.00 0.00 0.00 23.12 19.40 3ngj s ALA 88 CO 0.00 -0.69 0.54 0.39 0.00 0.00 0.00 175.76 176.00 3ngj n GLU 89 N 2.49 1.61 -3.82 0.00 1.02 0.93 -4.54 120.64 118.32 3ngj n GLU 89 Ca 0.07 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3ngj n GLU 89 Cb 0.41 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.60 0.39 -0.02 3.49 2.02 -0.83 -1.58 118.70 119.57 3ngj s GLU 90 Ca 0.02 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.01 3ngj s GLU 90 Cb 0.11 0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.51 3ngj s GLU 90 CO 0.62 -0.08 -0.13 0.14 0.02 0.00 0.00 175.26 175.83 3ngj s VAL 91 N -0.65 1.08 -0.41 2.63 -7.23 0.14 -1.68 120.40 114.28 3ngj s VAL 91 Ca -0.07 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 3ngj s VAL 91 Cb -0.04 -0.92 0.11 0.00 0.56 0.00 0.00 36.38 36.08 3ngj s VAL 91 CO 0.01 0.32 0.13 -1.81 -0.31 0.00 0.00 175.10 173.44 3ngj s ASP 92 N -0.04 4.64 0.39 4.85 1.11 0.17 -0.44 116.67 127.37 3ngj s ASP 92 Ca -0.00 -2.45 -0.13 0.00 0.18 0.00 0.00 52.55 50.15 3ngj s ASP 92 Cb -0.08 -1.64 -0.08 0.00 1.07 0.00 0.00 42.92 42.19 3ngj s ASP 92 CO 0.01 -0.34 0.79 0.00 1.18 0.00 0.00 175.17 176.81 3ngj s MET 93 N 0.50 3.89 -0.15 8.23 0.23 -0.43 -1.12 119.30 130.44 3ngj s MET 93 Ca 0.13 0.62 -0.08 0.00 -1.03 0.00 0.00 55.69 55.32 3ngj s MET 93 Cb -0.21 -2.36 -0.04 0.00 -1.53 0.00 0.00 34.83 30.68 3ngj s MET 93 CO -0.05 -0.00 0.14 0.08 -2.03 0.00 0.00 175.02 173.16 3ngj s VAL 94 N -2.27 5.46 0.84 5.16 1.01 -0.68 0.14 120.40 130.06 3ngj s VAL 94 Ca 0.53 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 3ngj s VAL 94 Cb -0.10 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.95 3ngj s VAL 94 CO 0.26 0.55 1.12 0.27 0.00 0.00 0.00 175.10 177.30 3ngj s ILE 95 N -0.52 2.71 -0.78 2.22 -4.36 -0.88 -4.53 121.20 115.06 3ngj s ILE 95 Ca 0.13 0.23 -0.23 0.00 -0.26 0.00 0.00 60.65 60.52 3ngj s ILE 95 Cb -0.12 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.17 3ngj s ILE 95 CO 0.02 -0.30 1.15 0.21 0.24 0.00 0.00 174.94 176.26 3ngj s ASN 96 N -3.04 6.29 0.28 4.36 3.84 -1.24 -4.31 114.94 121.12 3ngj s ASN 96 Ca 0.64 -1.08 -0.00 0.00 0.21 0.00 0.00 52.86 52.62 3ngj s ASN 96 Cb -0.20 -2.48 0.40 0.00 -0.55 0.00 0.00 41.25 38.43 3ngj s ASN 96 CO 0.57 -1.50 1.79 0.40 -2.79 0.00 0.00 177.10 175.57 3ngj h ILE 97 N 6.09 1.23 -1.00 -5.21 2.04 -1.85 -1.63 117.51 117.19 3ngj h ILE 97 Ca -0.14 -0.95 0.22 0.00 1.00 0.00 0.00 64.86 64.99 3ngj h ILE 97 Cb 1.05 0.90 -0.11 0.00 -0.74 0.00 0.00 36.82 37.92 3ngj h ILE 97 CO 1.24 0.33 0.61 1.23 0.00 0.00 0.00 178.15 181.56 3ngj h GLY 98 N 0.95 1.70 1.04 5.37 0.00 -1.95 -0.13 103.07 110.06 3ngj h GLY 98 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3ngj h GLY 98 CO 0.02 -0.12 0.18 -0.33 0.00 0.00 0.00 176.54 176.28 3ngj h MET 99 N 0.64 1.07 -0.30 4.80 2.86 -1.65 -2.08 114.93 120.28 3ngj h MET 99 Ca 0.60 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 3ngj h MET 99 Cb 1.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3ngj h MET 99 CO -0.39 0.95 0.07 0.28 1.06 0.00 0.00 176.91 178.88 3ngj h VAL 100 N 1.00 1.22 0.00 -2.22 2.07 -1.06 -1.01 116.25 116.26 3ngj h VAL 100 Ca 0.21 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3ngj h VAL 100 Cb 0.35 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3ngj h VAL 100 CO 0.00 0.24 -0.25 0.11 0.02 0.00 0.00 177.57 177.69 3ngj h LYS 101 N 0.33 0.00 -0.01 1.57 1.79 -1.00 -0.58 116.57 118.67 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 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3ngj h LYS 101 CO 0.00 0.25 0.00 0.00 -1.08 0.00 0.00 179.45 178.62 3ngj n ALA 102 N -2.38 2.64 -3.20 3.86 0.00 -0.79 -4.92 120.51 115.73 3ngj n ALA 102 Ca -0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3ngj n ALA 102 Cb 0.34 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.55 -4.76 -2.80 0.00 5.02 -0.23 -4.92 118.16 109.92 3ngj n LYS 103 Ca 0.22 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 3ngj n LYS 103 Cb 0.20 -5.61 0.01 0.00 -0.02 0.00 0.00 35.03 29.61 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 -4.06 4.58 0.18 1.97 5.02 -0.42 -4.82 118.16 120.61 3ngj n LYS 104 Ca -0.07 -4.40 0.04 0.00 -2.02 0.00 0.00 58.31 51.86 3ngj n LYS 104 Cb 0.59 -2.56 0.30 0.00 -0.02 0.00 0.00 35.03 33.34 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 5.19 0.00 -0.50 2.13 0.05 -1.91 -1.94 116.97 119.99 3ngj h TYR 105 Ca 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 3ngj h TYR 105 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 3ngj h TYR 105 CO 1.14 0.42 0.19 -0.44 -1.05 0.00 0.00 178.16 178.42 3ngj h ASP 106 N 0.00 0.65 -0.46 3.88 3.32 -1.97 -1.51 116.42 120.33 3ngj h ASP 106 Ca -0.00 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3ngj h ASP 106 Cb 0.95 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3ngj h ASP 106 CO 0.05 0.60 -0.25 0.44 -1.72 0.00 0.00 179.24 178.37 3ngj h ASP 107 N 0.71 1.01 -0.49 6.45 3.32 -1.83 -1.11 116.42 124.48 3ngj h ASP 107 Ca 0.17 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3ngj h ASP 107 Cb 0.16 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3ngj h ASP 107 CO -0.02 1.20 0.21 0.58 -1.72 0.00 0.00 179.24 179.49 3ngj h VAL 108 N 0.82 0.90 -0.46 -1.35 2.07 -1.09 -0.97 116.25 116.18 3ngj h VAL 108 Ca 0.10 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3ngj h VAL 108 Cb 0.83 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3ngj h VAL 108 CO 0.07 0.08 0.29 -0.08 0.02 0.00 0.00 177.57 177.95 3ngj h GLU 109 N 0.42 0.62 -0.80 1.57 4.81 -1.06 -1.11 114.58 119.02 3ngj h GLU 109 Ca 0.22 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3ngj h GLU 109 Cb 0.19 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3ngj h GLU 109 CO -0.19 0.44 0.52 0.87 -0.73 0.00 0.00 179.01 179.91 3ngj h LYS 110 N 0.61 0.99 -0.17 1.92 1.57 -0.92 0.11 116.57 120.68 3ngj h LYS 110 Ca 0.17 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ngj h LYS 110 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3ngj h LYS 110 CO -0.03 0.66 0.10 0.22 -0.57 0.00 0.00 179.45 179.83 3ngj h ASP 111 N 1.02 0.20 -0.55 0.86 3.58 -0.82 -0.63 116.42 120.08 3ngj h ASP 111 Ca 0.31 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 3ngj h ASP 111 Cb -0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3ngj h ASP 111 CO -0.10 0.18 0.18 0.58 -2.88 0.00 0.00 179.24 177.20 3ngj h VAL 112 N 0.20 1.24 -0.33 2.25 2.07 -0.80 -2.98 116.25 117.90 3ngj h VAL 112 Ca 0.06 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3ngj h VAL 112 Cb 0.02 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3ngj h VAL 112 CO -0.01 0.30 0.12 0.50 0.02 0.00 0.00 177.57 178.49 3ngj h LYS 113 N 0.77 0.47 -0.67 1.57 1.63 -0.53 0.20 116.57 120.01 3ngj h LYS 113 Ca 0.18 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3ngj h LYS 113 Cb 0.27 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3ngj h LYS 113 CO -0.01 0.40 0.44 0.00 -3.45 0.00 0.00 179.45 176.84 3ngj h ALA 114 N 1.67 0.86 -0.15 5.00 0.00 -0.96 0.36 119.26 126.04 3ngj h ALA 114 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ngj h ALA 114 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ngj h ALA 114 CO -0.01 0.26 -0.31 0.28 0.00 0.00 0.00 179.25 179.47 3ngj h VAL 115 N 0.89 1.36 -0.71 0.00 2.07 -1.25 -2.48 116.25 116.12 3ngj h VAL 115 Ca 0.25 -1.57 0.09 0.00 0.82 0.00 0.00 66.70 66.29 3ngj h VAL 115 Cb -0.08 1.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3ngj h VAL 115 CO -0.06 0.47 0.36 0.58 0.02 0.00 0.00 177.57 178.94 3ngj h VAL 116 N 0.10 0.87 -0.67 2.57 2.07 -0.78 0.01 116.25 120.41 3ngj h VAL 116 Ca 0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ngj h VAL 116 Cb 0.90 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3ngj h VAL 116 CO 0.07 0.11 0.26 0.44 0.02 0.00 0.00 177.57 178.47 3ngj h ASP 117 N 0.62 0.94 0.73 0.57 3.32 -0.93 -2.89 116.42 118.79 3ngj h ASP 117 Ca 0.34 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3ngj h ASP 117 Cb 0.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ngj h ASP 117 CO -0.25 0.86 -0.35 0.00 -1.72 0.00 0.00 179.24 177.78 3ngj h ALA 118 N 1.11 1.07 0.00 3.45 0.00 -0.93 -3.30 119.26 120.66 3ngj h ALA 118 Ca 0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ngj h ALA 118 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ngj h ALA 118 CO -0.02 0.44 -0.18 0.66 0.00 0.00 0.00 179.25 180.16 3ngj h SER 119 N 0.00 0.00 0.00 0.00 4.64 -0.78 -3.38 113.55 114.02 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 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3ngj h SER 119 CO 0.05 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3ngj n GLY 120 N -0.53 3.35 0.29 -0.77 0.00 -1.24 -1.17 105.19 105.12 3ngj n GLY 120 Ca -0.02 0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3ngj n GLY 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ngj h LYS 121 N 0.00 0.00 -6.94 1.61 -0.00 -1.96 -3.43 116.57 105.85 3ngj h LYS 121 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.65 60.16 3ngj h LYS 121 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.26 3ngj h LYS 121 CO 0.00 0.05 0.44 0.00 -0.00 0.00 0.00 179.45 179.94 3ngj s ALA 122 N -4.09 3.14 0.41 0.07 0.00 -0.32 -4.99 121.76 115.98 3ngj s ALA 122 Ca -0.03 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 3ngj s ALA 122 Cb 0.12 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 3ngj s ALA 122 CO 0.52 -0.28 1.03 -1.17 0.00 0.00 0.00 175.76 175.86 3ngj s LEU 123 N -2.44 4.09 -0.16 0.00 0.20 -0.61 -4.82 118.68 114.94 3ngj s LEU 123 Ca 0.56 1.97 -0.03 0.00 0.69 0.00 0.00 54.13 57.33 3ngj s LEU 123 Cb -0.25 -4.27 -0.02 0.00 -0.43 0.00 0.00 46.19 41.22 3ngj s LEU 123 CO 0.32 -0.50 -0.07 -0.89 -0.29 0.00 0.00 176.35 174.92 3ngj s THR 124 N -1.76 3.57 -0.02 3.68 2.01 -1.26 -0.68 115.64 121.18 3ngj s THR 124 Ca 0.59 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.17 3ngj s THR 124 Cb -0.20 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3ngj s THR 124 CO 0.25 0.49 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.97 3ngj s LYS 125 N 0.50 2.37 -0.25 4.92 1.02 0.42 -1.76 119.74 126.97 3ngj s LYS 125 Ca -0.05 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 3ngj s LYS 125 Cb -0.15 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3ngj s LYS 125 CO 0.03 0.60 -0.07 0.08 -0.92 0.00 0.00 175.35 175.07 3ngj s VAL 126 N -0.79 2.81 -0.30 3.17 1.01 -0.15 -1.31 120.40 124.84 3ngj s VAL 126 Ca 0.13 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3ngj s VAL 126 Cb -0.11 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3ngj s VAL 126 CO 0.02 0.20 1.05 -0.63 0.00 0.00 0.00 175.10 175.74 3ngj s ILE 127 N 1.31 4.57 -1.02 2.22 1.01 0.12 -0.29 121.20 129.12 3ngj s ILE 127 Ca -0.00 1.78 0.22 0.00 0.00 0.00 0.00 60.65 62.65 3ngj s ILE 127 Cb -0.17 -4.37 -0.15 0.00 0.01 0.00 0.00 42.46 37.78 3ngj s ILE 127 CO -0.05 -0.39 1.06 2.30 0.00 0.00 0.00 174.94 177.86 3ngj n ILE 128 N 5.71 0.00 -3.35 2.92 -5.35 -0.36 -2.08 119.36 116.85 3ngj n ILE 128 Ca 0.11 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.44 3ngj n ILE 128 Cb 0.47 0.78 0.03 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.47 -1.57 -0.31 6.28 4.07 -0.98 -4.84 120.64 121.82 3ngj n GLU 129 Ca 0.05 0.98 0.18 0.00 -0.06 0.00 0.00 57.16 58.31 3ngj n GLU 129 Cb 0.33 -4.98 0.44 0.00 -0.06 0.00 0.00 31.44 27.17 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 -3.60 0.21 -4.29 0.00 4.01 -0.66 -4.96 117.16 107.88 3ngj n TYR 132 Ca 0.05 -0.15 -0.29 0.00 -0.16 0.00 0.00 57.90 57.34 3ngj n TYR 132 Cb 0.53 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.30 2.77 0.75 7.72 1.43 -0.36 -5.10 118.68 124.59 3ngj s LEU 133 Ca 0.25 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3ngj s LEU 133 Cb 0.16 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.82 3ngj s LEU 133 CO 0.22 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.49 3ngj s THR 134 N -1.16 3.41 0.22 5.49 -4.23 -1.26 -4.88 115.64 113.23 3ngj s THR 134 Ca 0.19 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3ngj s THR 134 Cb -0.11 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.65 3ngj s THR 134 CO 0.11 -0.60 1.85 0.78 -0.54 0.00 0.00 174.62 176.22 3ngj h ASN 135 N -0.92 0.75 -0.81 3.99 2.35 -1.99 -0.18 115.58 118.77 3ngj h ASN 135 Ca -0.46 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.33 3ngj h ASN 135 Cb 1.25 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.41 3ngj h ASN 135 CO 0.59 0.51 0.52 -0.33 -1.65 0.00 0.00 177.43 177.07 3ngj h GLU 136 N 0.89 0.98 -0.54 0.81 5.08 -2.00 -1.83 114.58 117.97 3ngj h GLU 136 Ca 0.31 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3ngj h GLU 136 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3ngj h GLU 136 CO -0.13 0.65 0.05 0.93 -1.00 0.00 0.00 179.01 179.51 3ngj h GLU 137 N 1.00 0.92 -0.57 2.33 5.08 -1.77 -2.04 114.58 119.54 3ngj h GLU 137 Ca 0.33 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3ngj h GLU 137 Cb 0.02 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 3ngj h GLU 137 CO -0.12 0.91 0.26 0.87 -1.00 0.00 0.00 179.01 179.94 3ngj h LYS 138 N 0.81 0.47 0.08 2.33 1.57 -0.70 -0.71 116.57 120.42 3ngj h LYS 138 Ca 0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3ngj h LYS 138 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3ngj h LYS 138 CO 0.02 0.31 -0.04 0.28 -0.57 0.00 0.00 179.45 179.45 3ngj h VAL 139 N 0.48 1.06 -0.61 0.50 2.07 -1.13 -1.86 116.25 116.76 3ngj h VAL 139 Ca 0.27 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3ngj h VAL 139 Cb 0.24 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3ngj h VAL 139 CO -0.22 0.12 0.13 -0.08 0.02 0.00 0.00 177.57 177.54 3ngj h GLU 140 N -0.32 0.97 -0.34 1.57 4.57 -1.25 -1.78 114.58 117.99 3ngj h GLU 140 Ca -0.01 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 3ngj h GLU 140 Cb 0.28 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3ngj h GLU 140 CO 0.02 0.88 0.18 0.28 -1.18 0.00 0.00 179.01 179.18 3ngj h VAL 141 N 0.93 1.15 -0.79 0.32 2.07 -1.06 -1.66 116.25 117.22 3ngj h VAL 141 Ca 0.19 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3ngj h VAL 141 Cb 0.36 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3ngj h VAL 141 CO 0.00 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.23 3ngj h LYS 143 N 0.92 0.85 -0.07 0.00 1.57 -0.94 -1.85 116.57 117.05 3ngj h LYS 143 Ca 0.33 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3ngj h LYS 143 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ngj h LYS 143 CO -0.14 0.56 -0.57 0.00 -0.57 0.00 0.00 179.45 178.73 3ngj h ARG 144 N 0.88 0.21 -0.58 3.15 2.47 -0.36 -1.46 114.38 118.69 3ngj h ARG 144 Ca 0.34 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3ngj h ARG 144 Cb 0.15 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 3ngj h ARG 144 CO -0.16 0.72 0.31 0.00 0.56 0.00 0.00 179.97 181.40 3ngj h VAL 146 N 0.78 1.25 -0.53 0.00 2.07 -1.08 -2.21 116.25 116.52 3ngj h VAL 146 Ca 0.20 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3ngj h VAL 146 Cb 0.06 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3ngj h VAL 146 CO -0.03 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.20 3ngj h ALA 147 N 1.03 1.53 0.00 1.67 0.00 -1.00 -1.95 119.26 120.54 3ngj h ALA 147 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ngj h ALA 147 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ngj h ALA 147 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3ngj h ALA 148 N 1.60 1.00 0.00 0.00 0.00 -0.98 -3.48 119.26 117.40 3ngj h ALA 148 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ngj h ALA 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ngj h ALA 148 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3ngj n GLY 149 N 1.06 0.90 3.76 0.00 0.00 -0.73 -4.68 105.19 105.50 3ngj n GLY 149 Ca 0.04 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 3.38 0.20 4.61 0.00 -0.87 -4.94 121.76 122.13 3ngj s ALA 150 Ca 0.00 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3ngj s ALA 150 Cb 0.00 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.83 3ngj s ALA 150 CO 0.00 -0.34 1.45 0.93 0.00 0.00 0.00 175.76 177.80 3ngj h GLU 151 N 3.48 0.02 -5.01 0.00 3.07 -1.71 -3.43 114.58 110.99 3ngj h GLU 151 Ca -0.48 -0.02 -0.36 0.00 -0.50 0.00 0.00 59.36 58.00 3ngj h GLU 151 Cb 1.22 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.91 3ngj h GLU 151 CO 0.66 0.81 -0.76 0.71 -1.40 0.00 0.00 179.01 179.02 3ngj s TYR 152 N -3.19 0.98 0.09 4.33 1.51 -0.72 -1.41 117.35 118.94 3ngj s TYR 152 Ca -0.00 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.69 3ngj s TYR 152 Cb 0.11 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 3ngj s TYR 152 CO 0.79 -0.00 -0.10 0.14 -1.11 0.00 0.00 175.55 175.27 3ngj s VAL 153 N -1.18 3.38 -0.01 0.71 -7.23 -0.17 -0.98 120.40 114.91 3ngj s VAL 153 Ca -0.04 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 3ngj s VAL 153 Cb -0.09 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.29 3ngj s VAL 153 CO 0.01 0.14 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.18 3ngj s LYS 154 N -2.11 0.30 0.20 4.82 2.20 0.61 -0.76 119.74 124.99 3ngj s LYS 154 Ca 0.21 -0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.68 3ngj s LYS 154 Cb -0.11 -0.36 0.13 0.00 -1.51 0.00 0.00 37.83 35.98 3ngj s LYS 154 CO 0.13 -0.02 1.79 1.79 -0.36 0.00 0.00 175.35 178.69 3ngj h THR 155 N 5.58 1.23 -2.55 3.43 1.35 -1.48 -0.95 112.91 119.52 3ngj h THR 155 Ca -0.34 -0.63 0.03 0.00 -0.55 0.00 0.00 66.41 64.92 3ngj h THR 155 Cb 1.17 0.33 -0.15 0.00 -1.73 0.00 0.00 68.15 67.77 3ngj h THR 155 CO 0.49 0.27 0.33 -0.44 -0.25 0.00 0.00 175.52 175.92 3ngj s SER 156 N -6.11 -0.50 0.11 5.36 0.01 -1.26 -1.03 113.70 110.28 3ngj s SER 156 Ca -0.13 0.10 0.14 0.00 1.31 0.00 0.00 55.95 57.38 3ngj s SER 156 Cb 0.14 0.50 -0.12 0.00 0.21 0.00 0.00 66.02 66.76 3ngj s SER 156 CO 0.80 -0.77 1.02 0.71 0.41 0.00 0.00 173.24 175.42 3ngj h THR 157 N 2.14 0.85 0.00 1.44 1.35 -1.90 -3.44 112.91 113.36 3ngj h THR 157 Ca -0.28 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 3ngj h THR 157 Cb 1.26 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 3ngj h THR 157 CO 0.35 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3ngj n GLY 158 N 1.37 0.84 0.03 5.82 0.00 -1.26 -4.88 105.19 107.12 3ngj n GLY 158 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.13 0.00 -1.24 1.61 3.01 -1.26 -4.95 117.46 112.49 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 1.19 -0.31 0.28 1.37 0.00 -1.26 -4.96 105.19 101.49 3ngj n GLY 160 Ca 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.57 1.19 -3.37 2.61 1.35 -1.95 -3.45 112.91 108.72 3ngj h THR 161 Ca 0.00 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 3ngj h THR 161 Cb 0.00 0.88 -0.08 0.00 -1.73 0.00 0.00 68.15 67.21 3ngj h THR 161 CO 0.00 0.25 0.02 -1.38 -0.25 0.00 0.00 175.52 174.16 3ngj s HIS 162 N -5.05 0.07 0.00 4.73 0.00 -1.26 -5.15 115.29 108.63 3ngj s HIS 162 Ca -0.08 -0.45 0.00 0.00 -3.00 0.00 0.00 55.06 51.53 3ngj s HIS 162 Cb 0.16 0.39 0.00 0.00 -4.00 0.00 0.00 32.58 29.13 3ngj s HIS 162 CO 0.76 -1.04 0.00 0.41 -1.00 0.00 0.00 174.74 173.87 3ngj n GLY 163 N -0.39 1.58 3.74 -1.38 0.00 -1.26 -4.51 105.19 102.97 3ngj n GLY 163 Ca -0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.80 3.56 0.08 4.61 0.00 -0.69 -4.80 121.76 121.73 3ngj s ALA 164 Ca 0.00 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.22 3ngj s ALA 164 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3ngj s ALA 164 CO 0.00 -0.60 -0.20 0.95 0.00 0.00 0.00 175.76 175.91 3ngj s THR 165 N 0.17 2.67 0.42 0.00 -4.23 -1.26 -4.96 115.64 108.45 3ngj s THR 165 Ca 0.58 -1.42 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 3ngj s THR 165 Cb -0.38 -2.17 0.23 0.00 1.34 0.00 0.00 72.50 71.52 3ngj s THR 165 CO 0.39 0.21 2.03 -0.65 -0.54 0.00 0.00 174.62 176.05 3ngj h PRO 166 N 4.14 0.40 -0.54 3.99 0.11 -1.96 -1.48 132.00 136.64 3ngj h PRO 166 Ca -0.49 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3ngj h PRO 166 Cb 1.16 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3ngj h PRO 166 CO 0.45 0.33 -0.11 0.93 -0.21 0.00 0.00 178.00 179.39 3ngj h GLU 167 N 0.40 1.03 -0.59 1.05 3.07 -1.96 -1.68 114.58 115.90 3ngj h GLU 167 Ca 0.10 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.49 3ngj h GLU 167 Cb 0.07 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3ngj h GLU 167 CO -0.01 1.07 0.03 -0.44 -1.40 0.00 0.00 179.01 178.26 3ngj h ASP 168 N 0.92 1.00 -0.35 1.42 3.32 -1.84 -1.37 116.42 119.52 3ngj h ASP 168 Ca 0.14 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3ngj h ASP 168 Cb 0.68 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3ngj h ASP 168 CO 0.05 1.05 0.22 0.58 -1.72 0.00 0.00 179.24 179.42 3ngj h VAL 169 N 0.92 1.10 -0.41 -1.35 2.07 -1.10 -0.90 116.25 116.59 3ngj h VAL 169 Ca 0.17 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ngj h VAL 169 Cb 0.52 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3ngj h VAL 169 CO 0.02 0.09 0.18 0.50 0.02 0.00 0.00 177.57 178.39 3ngj h LYS 170 N 0.46 0.60 -0.58 1.57 3.64 -1.24 -0.72 116.57 120.30 3ngj h LYS 170 Ca 0.13 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3ngj h LYS 170 Cb -0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3ngj h LYS 170 CO -0.03 0.54 0.36 1.25 -2.27 0.00 0.00 179.45 179.31 3ngj h LEU 171 N 0.52 0.61 -0.32 5.20 5.85 -1.03 0.50 115.31 126.64 3ngj h LEU 171 Ca 0.14 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3ngj h LEU 171 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3ngj h LEU 171 CO -0.01 0.43 0.08 0.24 -0.34 0.00 0.00 178.44 178.83 3ngj h MET 172 N 0.73 0.51 -0.51 1.25 2.86 -0.92 -2.03 114.93 116.81 3ngj h MET 172 Ca 0.23 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3ngj h MET 172 Cb -0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3ngj h MET 172 CO -0.08 0.57 -0.08 -0.22 1.06 0.00 0.00 176.91 178.16 3ngj h LYS 173 N 0.35 0.93 -0.41 1.72 1.63 -0.98 -0.77 116.57 119.04 3ngj h LYS 173 Ca 0.10 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3ngj h LYS 173 Cb 0.29 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 3ngj h LYS 173 CO 0.00 0.97 0.26 -0.44 -3.45 0.00 0.00 179.45 176.79 3ngj h ASP 174 N 0.84 0.47 0.01 4.20 3.32 -0.80 0.20 116.42 124.66 3ngj h ASP 174 Ca 0.14 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ngj h ASP 174 Cb 0.61 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ngj h ASP 174 CO 0.04 0.35 -0.01 0.74 -1.72 0.00 0.00 179.24 178.64 3ngj h THR 175 N 0.55 1.51 0.00 0.35 2.02 -0.82 -3.35 112.91 113.17 3ngj h THR 175 Ca 0.15 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3ngj h THR 175 Cb -0.05 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3ngj h THR 175 CO -0.03 0.43 -0.51 -0.37 0.37 0.00 0.00 175.52 175.41 3ngj h VAL 176 N -0.75 0.00 0.00 3.16 -1.51 -1.10 -3.47 116.25 112.58 3ngj h VAL 176 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 3ngj h VAL 176 Cb 0.71 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3ngj h VAL 176 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3ngj n GLY 177 N 1.17 3.18 0.90 5.19 0.00 0.70 -1.01 105.19 115.32 3ngj n GLY 177 Ca 0.02 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3ngj n GLY 177 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ngj n ASP 178 N 2.90 2.65 0.22 1.61 8.00 -1.26 -4.16 116.55 126.52 3ngj n ASP 178 Ca 0.00 -1.94 0.11 0.00 0.71 0.00 0.00 54.79 53.67 3ngj n ASP 178 Cb 0.00 -0.28 0.38 0.00 -0.02 0.00 0.00 41.12 41.20 3ngj n ASP 178 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ngj h LYS 179 N 3.09 0.00 -3.69 -1.24 6.56 -1.48 -3.45 116.57 116.35 3ngj h LYS 179 Ca 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 3ngj h LYS 179 Cb 0.70 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.23 3ngj h LYS 179 CO 0.00 0.17 -0.23 0.00 -2.06 0.00 0.00 179.45 177.33 3ngj s ALA 180 N -3.45 -0.34 0.23 3.86 0.00 -1.24 -4.93 121.76 115.89 3ngj s ALA 180 Ca 0.03 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.44 3ngj s ALA 180 Cb 0.08 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3ngj s ALA 180 CO 0.64 -0.65 0.30 -0.51 0.00 0.00 0.00 175.76 175.54 3ngj s LEU 181 N -2.91 4.18 -0.14 0.00 1.43 -0.50 -4.67 118.68 116.07 3ngj s LEU 181 Ca 0.11 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3ngj s LEU 181 Cb 0.03 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3ngj s LEU 181 CO -0.04 -0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.67 3ngj s VAL 182 N -1.98 2.95 -0.17 -1.59 1.01 -1.26 -1.00 120.40 118.36 3ngj s VAL 182 Ca 0.34 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3ngj s VAL 182 Cb -0.09 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3ngj s VAL 182 CO 0.28 0.52 0.01 -0.75 0.00 0.00 0.00 175.10 175.16 3ngj s LYS 183 N 0.50 3.82 -0.16 2.72 2.20 0.06 -0.24 119.74 128.64 3ngj s LYS 183 Ca -0.09 -0.43 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 3ngj s LYS 183 Cb -0.16 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3ngj s LYS 183 CO 0.04 0.25 0.12 0.00 -0.36 0.00 0.00 175.35 175.40 3ngj s ALA 184 N 0.38 3.69 -0.03 3.13 0.00 -0.67 -1.28 121.76 126.98 3ngj s ALA 184 Ca -0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 3ngj s ALA 184 Cb -0.13 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.00 3ngj s ALA 184 CO 0.02 0.36 0.33 0.00 0.00 0.00 0.00 175.76 176.47 3ngj s ALA 185 N -0.25 -0.84 0.00 0.00 0.00 -1.26 -0.57 121.76 118.85 3ngj s ALA 185 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3ngj s ALA 185 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3ngj s ALA 185 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3ngj n GLY 186 N 1.43 -0.52 2.15 0.00 0.00 -1.24 -1.70 105.19 105.31 3ngj n GLY 186 Ca -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 1.89 0.45 3.45 -0.02 0.00 -1.26 -2.12 105.19 107.58 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 -1.93 4.50 -0.04 -0.61 1.01 -1.26 -4.85 121.20 118.01 3ngj s ILE 188 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 60.65 60.42 3ngj s ILE 188 Cb 0.00 -4.57 -0.18 0.00 0.01 0.00 0.00 42.46 37.73 3ngj s ILE 188 CO 0.00 -1.24 0.21 0.54 0.00 0.00 0.00 174.94 174.46 3ngj n ARG 189 N 7.21 0.79 -4.33 2.79 1.74 -1.26 -4.59 116.66 119.00 3ngj n ARG 189 Ca -0.04 -0.09 -0.17 0.00 -0.77 0.00 0.00 57.85 56.78 3ngj n ARG 189 Cb 0.45 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.71 1.30 0.20 0.55 -4.23 -1.26 -4.59 115.64 104.89 3ngj s THR 190 Ca -0.05 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 3ngj s THR 190 Cb 0.07 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.86 3ngj s THR 190 CO 0.50 -0.46 1.69 0.15 -0.54 0.00 0.00 174.62 175.95 3ngj h PHE 191 N 2.52 0.03 -0.88 3.99 3.57 -1.83 -0.85 116.94 123.49 3ngj h PHE 191 Ca -0.38 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 3ngj h PHE 191 Cb 1.22 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 3ngj h PHE 191 CO 0.64 -0.10 0.52 -0.44 -2.23 0.00 0.00 178.31 176.70 3ngj h ASP 192 N 0.15 1.06 -0.37 0.41 3.32 -1.93 -0.14 116.42 118.93 3ngj h ASP 192 Ca 0.28 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ngj h ASP 192 Cb 0.42 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3ngj h ASP 192 CO -0.43 0.83 0.24 0.44 -1.72 0.00 0.00 179.24 178.60 3ngj h ASP 193 N 1.22 0.42 -0.52 6.45 3.32 -1.80 -1.78 116.42 123.72 3ngj h ASP 193 Ca 0.31 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3ngj h ASP 193 Cb -0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3ngj h ASP 193 CO -0.06 0.31 0.27 0.00 -1.72 0.00 0.00 179.24 178.04 3ngj h ALA 194 N 1.14 0.67 -0.32 3.45 0.00 -0.58 -2.77 119.26 120.85 3ngj h ALA 194 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3ngj h ALA 194 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ngj h ALA 194 CO -0.03 0.21 -0.21 0.52 0.00 0.00 0.00 179.25 179.74 3ngj h MET 195 N 0.70 0.60 -0.83 0.00 2.86 -0.86 -1.27 114.93 116.13 3ngj h MET 195 Ca 0.18 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3ngj h MET 195 Cb 0.09 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 3ngj h MET 195 CO -0.03 0.77 0.51 0.87 1.06 0.00 0.00 176.91 180.09 3ngj h LYS 196 N 0.53 0.89 0.10 1.72 1.57 -1.06 0.28 116.57 120.60 3ngj h LYS 196 Ca 0.08 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ngj h LYS 196 Cb 0.66 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3ngj h LYS 196 CO 0.05 0.59 -0.05 0.52 -0.57 0.00 0.00 179.45 179.99 3ngj h MET 197 N 0.92 -0.13 -0.51 3.15 2.86 -1.20 -2.82 114.93 117.21 3ngj h MET 197 Ca 0.37 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.05 3ngj h MET 197 Cb 0.18 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3ngj h MET 197 CO -0.18 0.23 0.28 0.82 1.06 0.00 0.00 176.91 179.12 3ngj h ILE 198 N -0.50 0.99 0.00 -1.22 2.04 -0.99 -1.71 117.51 116.11 3ngj h ILE 198 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3ngj h ILE 198 Cb 0.42 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3ngj h ILE 198 CO 0.02 0.10 -0.03 0.78 0.00 0.00 0.00 178.15 179.02 3ngj h ASN 199 N 0.54 0.00 -0.34 1.72 2.35 -0.51 -1.75 115.58 117.59 3ngj h ASN 199 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3ngj h ASN 199 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ngj h ASN 199 CO -0.13 0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.27 3ngj n ASN 200 N -3.18 2.81 0.00 5.81 3.02 -0.72 -4.94 115.26 118.05 3ngj n ASN 200 Ca -0.01 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3ngj n ASN 200 Cb 0.24 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.37 0.64 3.72 7.41 0.00 -0.66 -3.30 105.19 114.37 3ngj n GLY 201 Ca 0.18 0.00 -0.41 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 -1.58 3.27 -1.20 4.61 0.00 -0.74 -4.37 121.76 121.75 3ngj s ALA 202 Ca 0.00 0.66 0.22 0.00 0.00 0.00 0.00 51.96 52.84 3ngj s ALA 202 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 3ngj s ALA 202 CO 0.00 -0.18 1.02 0.43 0.00 0.00 0.00 175.76 177.03 3ngj n SER 203 N 3.15 1.12 -3.77 0.00 7.64 0.66 -4.39 113.62 118.03 3ngj n SER 203 Ca 0.04 -0.99 -0.13 0.00 1.01 0.00 0.00 58.87 58.80 3ngj n SER 203 Cb 0.49 0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.90 0.68 -0.09 1.43 6.06 -1.17 -4.71 118.95 118.26 3ngj s ARG 204 Ca 0.11 -0.26 0.01 0.00 -2.50 0.00 0.00 55.73 53.09 3ngj s ARG 204 Cb 0.17 0.30 0.02 0.00 0.06 0.00 0.00 34.95 35.49 3ngj s ARG 204 CO 0.79 -0.19 -0.11 0.42 -2.50 0.00 0.00 175.30 173.71 3ngj s ILE 205 N -1.53 1.15 -0.20 4.11 -1.09 0.13 -1.67 121.20 122.09 3ngj s ILE 205 Ca -0.12 -0.43 -0.14 0.00 -2.23 0.00 0.00 60.65 57.73 3ngj s ILE 205 Cb -0.05 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.70 3ngj s ILE 205 CO 0.03 0.37 0.32 -0.83 -1.23 0.00 0.00 174.94 173.60 3ngj s GLY 206 N 1.11 2.09 0.14 6.18 0.00 0.26 -0.74 107.32 116.37 3ngj s GLY 206 Ca -0.06 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 3ngj s GLY 206 CO -0.02 0.62 0.64 0.00 0.00 0.00 0.00 173.10 174.35 3ngj s ALA 207 N 1.05 -1.61 -0.07 3.20 0.00 -1.01 -3.66 121.76 119.66 3ngj s ALA 207 Ca 0.16 0.52 0.21 0.00 0.00 0.00 0.00 51.96 52.85 3ngj s ALA 207 Cb -0.14 0.83 -0.29 0.00 0.00 0.00 0.00 23.12 23.52 3ngj s ALA 207 CO 0.06 -0.77 0.50 -1.13 0.00 0.00 0.00 175.76 174.42 3ngj n SER 208 N -0.37 0.11 -1.63 0.00 3.41 -1.26 -1.19 113.62 112.69 3ngj n SER 208 Ca -0.15 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.41 3ngj n SER 208 Cb 0.64 1.69 0.16 0.00 -0.26 0.00 0.00 64.21 66.44 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 -2.31 4.07 -0.20 7.33 0.00 -1.26 -4.66 120.51 123.48 3ngj n ALA 209 Ca -0.07 -1.59 0.10 0.00 0.00 0.00 0.00 53.44 51.88 3ngj n ALA 209 Cb 0.64 -1.21 0.40 0.00 0.00 0.00 0.00 19.45 19.27 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 2.89 0.96 0.89 0.00 0.00 -1.92 0.21 103.07 106.10 3ngj h GLY 210 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ngj h GLY 210 CO 0.56 0.15 0.07 -2.22 0.00 0.00 0.00 176.54 175.10 3ngj h ILE 211 N 0.66 1.15 -0.40 2.60 2.04 -1.99 -0.83 117.51 120.74 3ngj h ILE 211 Ca 0.36 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3ngj h ILE 211 Cb 0.52 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3ngj h ILE 211 CO -0.13 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.16 3ngj h ALA 212 N 0.92 1.27 -0.29 1.87 0.00 -1.75 -1.00 119.26 120.28 3ngj h ALA 212 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ngj h ALA 212 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ngj h ALA 212 CO -0.01 0.49 0.15 0.82 0.00 0.00 0.00 179.25 180.71 3ngj h ILE 213 N 0.60 1.14 -0.77 0.00 2.04 -0.78 -0.58 117.51 119.16 3ngj h ILE 213 Ca 0.12 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3ngj h ILE 213 Cb 0.37 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3ngj h ILE 213 CO 0.01 0.14 0.38 -0.07 0.00 0.00 0.00 178.15 178.62 3ngj h LEU 214 N 0.35 0.98 -0.82 1.44 3.38 -0.87 -2.52 115.31 117.24 3ngj h LEU 214 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ngj h LEU 214 Cb 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ngj h LEU 214 CO -0.01 0.82 0.00 -1.13 0.09 0.00 0.00 178.44 178.20 3ngj h ASN 215 N 1.08 0.00 -0.52 -0.43 -1.24 -0.84 -3.20 115.58 110.43 3ngj h ASN 215 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3ngj h ASN 215 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3ngj h ASN 215 CO -0.04 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.71 3ngj n GLY 216 N 0.38 1.43 3.71 1.57 0.00 -0.25 -4.97 105.19 107.05 3ngj n GLY 216 Ca 0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 1.02 0.48 -1.94 -0.61 5.41 -1.21 -4.72 119.36 117.79 3ngj n ILE 217 Ca 0.17 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3ngj n ILE 217 Cb 0.44 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 3ngj n ILE 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55