#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0j s HIS 2 N 0.00 3.25 0.06 2.13 3.76 -1.26 -5.11 115.29 118.12 1n0j s HIS 2 Ca 0.00 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1n0j s HIS 2 Cb 0.00 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 1n0j s HIS 2 CO 0.00 0.53 -0.08 -1.54 -0.85 0.00 0.00 174.74 172.80 1n0j s SER 3 N -2.62 1.03 -0.08 1.40 1.04 -1.26 -4.94 113.70 108.27 1n0j s SER 3 Ca 0.31 -0.71 -0.30 0.00 0.48 0.00 0.00 55.95 55.73 1n0j s SER 3 Cb -0.12 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1n0j s SER 3 CO 0.24 -0.28 1.52 -0.22 0.98 0.00 0.00 173.24 175.47 1n0j s LEU 4 N -2.09 4.28 0.56 2.42 2.96 -1.26 -5.00 118.68 120.54 1n0j s LEU 4 Ca -0.02 2.07 -0.21 0.00 -0.22 0.00 0.00 54.13 55.75 1n0j s LEU 4 Cb -0.05 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1n0j s LEU 4 CO -0.01 -0.86 1.27 -2.16 -1.32 0.00 0.00 176.35 173.27 1n0j s PRO 5 N 3.74 3.13 0.34 0.98 0.04 -1.26 -5.00 135.00 136.97 1n0j s PRO 5 Ca 0.67 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 1n0j s PRO 5 Cb -0.30 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1n0j s PRO 5 CO 0.25 -1.13 1.27 -0.51 0.04 0.00 0.00 177.00 176.91 1n0j s ASP 6 N -1.27 6.73 0.34 6.66 -0.00 -1.26 -5.00 116.67 122.87 1n0j s ASP 6 Ca 0.73 2.60 -0.28 0.00 -0.00 0.00 0.00 52.55 55.61 1n0j s ASP 6 Cb -0.35 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 39.84 1n0j s ASP 6 CO 0.40 -0.55 1.20 -0.22 -0.00 0.00 0.00 175.17 176.00 1n0j s LEU 7 N -1.93 4.37 -0.01 1.23 2.96 -1.26 -4.95 118.68 119.10 1n0j s LEU 7 Ca 0.50 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 1n0j s LEU 7 Cb -0.38 -3.78 0.13 0.00 0.50 0.00 0.00 46.19 42.66 1n0j s LEU 7 CO 0.49 -0.49 1.01 -0.81 -1.32 0.00 0.00 176.35 175.24 1n0j n PRO 8 N 0.63 1.40 -3.59 0.98 -0.04 -1.26 -4.90 135.00 128.22 1n0j n PRO 8 Ca 0.01 -0.50 -0.10 0.00 -0.04 0.00 0.00 63.50 62.87 1n0j n PRO 8 Cb 0.44 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1n0j n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1n0j s TYR 9 N -1.71 -0.37 0.75 0.54 1.13 -1.26 -5.05 117.35 111.39 1n0j s TYR 9 Ca 0.09 0.07 -0.12 0.00 -1.41 0.00 0.00 57.07 55.71 1n0j s TYR 9 Cb 0.05 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.50 1n0j s TYR 9 CO 0.05 -0.94 1.11 0.16 -2.51 0.00 0.00 175.55 173.42 1n0j s ASP 10 N -2.81 4.99 0.30 -0.18 1.47 -1.26 -4.94 116.67 114.24 1n0j s ASP 10 Ca 0.05 1.11 0.01 0.00 1.18 0.00 0.00 52.55 54.90 1n0j s ASP 10 Cb -0.02 -1.84 0.56 0.00 -0.34 0.00 0.00 42.92 41.28 1n0j s ASP 10 CO -0.07 -1.63 1.90 1.88 0.68 0.00 0.00 175.17 177.93 1n0j h TYR 11 N -0.86 1.04 -0.39 2.11 0.05 -1.95 -2.48 116.97 114.50 1n0j h TYR 11 Ca -0.46 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1n0j h TYR 11 Cb 1.27 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1n0j h TYR 11 CO 0.45 0.51 0.00 0.41 -1.05 0.00 0.00 178.16 178.49 1n0j n GLY 12 N -1.39 0.85 0.02 3.88 0.00 -1.26 -3.94 105.19 103.35 1n0j n GLY 12 Ca 0.15 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1n0j n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0j n ALA 13 N 0.65 1.35 -0.53 4.61 0.00 -0.93 -1.94 120.51 123.71 1n0j n ALA 13 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1n0j n ALA 13 Cb 0.34 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.77 1n0j n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n0j n LEU 14 N -1.62 2.89 -4.79 0.00 4.77 -1.26 -4.53 117.00 112.47 1n0j n LEU 14 Ca 0.02 -2.48 -0.34 0.00 -0.03 0.00 0.00 56.01 53.18 1n0j n LEU 14 Cb 0.10 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1n0j n LEU 14 CO 0.08 0.66 0.74 -1.61 -1.33 0.00 0.00 177.39 175.93 1n0j s GLU 15 N -1.85 3.47 0.00 3.23 2.02 -0.82 -0.70 118.70 124.06 1n0j s GLU 15 Ca 0.25 1.42 0.29 0.00 0.02 0.00 0.00 54.97 56.95 1n0j s GLU 15 Cb 0.18 -2.04 1.30 0.00 0.10 0.00 0.00 34.13 33.68 1n0j s GLU 15 CO 0.08 -0.71 1.92 -0.35 0.02 0.00 0.00 175.26 176.22 1n0j n PRO 16 N -1.40 0.43 -0.06 0.39 -0.04 -1.26 -4.89 135.00 128.17 1n0j n PRO 16 Ca 0.10 -0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1n0j n PRO 16 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1n0j n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n0j h HIS 17 N 0.21 0.48 -3.37 0.54 3.86 -1.26 -3.40 115.15 112.22 1n0j h HIS 17 Ca 0.00 -0.13 -0.49 0.00 -1.16 0.00 0.00 60.37 58.59 1n0j h HIS 17 Cb 0.36 -0.11 -0.34 0.00 1.06 0.00 0.00 27.41 28.38 1n0j h HIS 17 CO 0.00 0.75 -0.80 0.42 0.86 0.00 0.00 177.93 179.16 1n0j s ILE 18 N -4.43 0.94 0.27 2.45 1.01 -0.71 -4.80 121.20 115.92 1n0j s ILE 18 Ca -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1n0j s ILE 18 Cb 0.06 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1n0j s ILE 18 CO 0.76 0.32 0.43 0.54 0.00 0.00 0.00 174.94 177.00 1n0j s ASN 19 N 1.00 6.33 0.39 3.58 2.20 -1.26 -3.24 114.94 123.93 1n0j s ASN 19 Ca -0.09 0.29 0.22 0.00 -0.94 0.00 0.00 52.86 52.34 1n0j s ASN 19 Cb -0.15 -1.96 1.29 0.00 -2.00 0.00 0.00 41.25 38.44 1n0j s ASN 19 CO -0.00 -0.14 1.62 0.00 -2.94 0.00 0.00 177.10 175.64 1n0j h ALA 20 N 1.24 2.32 -0.43 3.54 0.00 -1.86 0.13 119.26 124.19 1n0j h ALA 20 Ca -0.50 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1n0j h ALA 20 Cb 1.22 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1n0j h ALA 20 CO 0.63 -0.99 -0.23 0.37 0.00 0.00 0.00 179.25 179.03 1n0j h GLN 21 N 0.14 0.88 -0.08 0.00 4.15 -1.93 0.14 115.11 118.40 1n0j h GLN 21 Ca 0.80 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.82 1n0j h GLN 21 Cb 2.18 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.84 1n0j h GLN 21 CO -0.58 1.02 -0.07 0.82 -1.93 0.00 0.00 178.83 178.08 1n0j h ILE 22 N 0.76 1.36 -0.31 2.39 2.04 -1.15 -2.68 117.51 119.92 1n0j h ILE 22 Ca 0.10 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1n0j h ILE 22 Cb 0.78 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1n0j h ILE 22 CO 0.06 0.34 0.21 0.24 0.00 0.00 0.00 178.15 179.00 1n0j h MET 23 N -0.22 0.27 -0.02 2.37 2.86 -0.91 -0.05 114.93 119.23 1n0j h MET 23 Ca 0.01 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1n0j h MET 23 Cb 0.57 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1n0j h MET 23 CO 0.02 0.18 -0.56 0.37 1.06 0.00 0.00 176.91 177.98 1n0j h GLN 24 N 0.28 0.41 -0.15 1.72 4.15 -0.70 -2.75 115.11 118.07 1n0j h GLN 24 Ca 0.13 -0.42 -0.13 0.00 0.77 0.00 0.00 58.65 59.00 1n0j h GLN 24 Cb 0.16 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1n0j h GLN 24 CO -0.03 1.08 -0.46 -0.07 -1.93 0.00 0.00 178.83 177.42 1n0j h LEU 25 N -0.09 0.41 -0.28 -2.39 3.38 -1.12 -0.76 115.31 114.46 1n0j h LEU 25 Ca -0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1n0j h LEU 25 Cb 1.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1n0j h LEU 25 CO 0.11 0.82 -0.04 -0.74 0.09 0.00 0.00 178.44 178.68 1n0j h HIS 26 N 0.31 0.58 0.22 1.13 2.76 -1.06 -2.18 115.15 116.91 1n0j h HIS 26 Ca 0.02 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1n0j h HIS 26 Cb 0.94 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1n0j h HIS 26 CO 0.03 0.70 -0.10 1.25 -1.30 0.00 0.00 177.93 178.51 1n0j h HIS 27 N 0.29 -0.27 -0.10 5.26 -0.00 -1.50 -1.12 115.15 117.71 1n0j h HIS 27 Ca 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1n0j h HIS 27 Cb 0.50 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1n0j h HIS 27 CO 0.05 -0.17 0.00 -1.13 -0.00 0.00 0.00 177.93 176.68 1n0j n SER 28 N -4.96 2.04 -0.01 3.26 3.41 -0.29 -2.74 113.62 114.34 1n0j n SER 28 Ca -0.04 -1.71 -0.05 0.00 -0.26 0.00 0.00 58.87 56.82 1n0j n SER 28 Cb 0.12 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1n0j n SER 28 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n0j n LYS 29 N 0.58 0.18 0.13 4.33 4.01 -0.86 -4.55 118.16 121.97 1n0j n LYS 29 Ca 0.17 0.07 -0.09 0.00 -0.51 0.00 0.00 58.31 57.95 1n0j n LYS 29 Cb 0.42 -0.81 -0.05 0.00 -0.51 0.00 0.00 35.03 34.08 1n0j n LYS 29 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1n0j h HIS 30 N -0.32 -0.37 -0.71 2.13 3.86 -1.37 -2.34 115.15 116.02 1n0j h HIS 30 Ca -0.06 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1n0j h HIS 30 Cb 0.56 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1n0j h HIS 30 CO -0.11 -0.08 0.43 1.25 0.86 0.00 0.00 177.93 180.28 1n0j h HIS 31 N -1.02 0.93 -0.85 2.45 -0.00 -1.14 -1.22 115.15 114.30 1n0j h HIS 31 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1n0j h HIS 31 Cb 0.45 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 1n0j h HIS 31 CO 0.03 0.62 0.56 0.00 -0.00 0.00 0.00 177.93 179.15 1n0j h ALA 32 N 1.49 1.41 -0.20 5.26 0.00 -1.57 -2.51 119.26 123.15 1n0j h ALA 32 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1n0j h ALA 32 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1n0j h ALA 32 CO -0.05 0.53 0.08 0.00 0.00 0.00 0.00 179.25 179.81 1n0j h ALA 33 N 1.48 0.26 -0.34 0.00 0.00 -0.65 -2.54 119.26 117.46 1n0j h ALA 33 Ca 0.32 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1n0j h ALA 33 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1n0j h ALA 33 CO -0.08 -0.15 0.11 1.88 0.00 0.00 0.00 179.25 181.02 1n0j h TYR 34 N 0.17 0.20 -0.14 0.00 0.05 -1.27 -0.85 116.97 115.13 1n0j h TYR 34 Ca 0.07 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.72 1n0j h TYR 34 Cb 0.18 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1n0j h TYR 34 CO -0.01 0.08 -0.51 -0.39 -1.05 0.00 0.00 178.16 176.28 1n0j h VAL 35 N 0.26 1.33 -0.43 -2.88 -1.51 -1.45 0.17 116.25 111.73 1n0j h VAL 35 Ca 0.15 -1.75 -0.04 0.00 -1.23 0.00 0.00 66.70 63.84 1n0j h VAL 35 Cb 0.13 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1n0j h VAL 35 CO -0.16 0.53 0.13 -1.13 -1.23 0.00 0.00 177.57 175.71 1n0j h ASN 36 N 0.31 0.63 0.45 4.19 -0.00 -1.07 -1.57 115.58 118.52 1n0j h ASN 36 Ca 0.01 -0.21 -0.15 0.00 -0.00 0.00 0.00 56.30 55.96 1n0j h ASN 36 Cb 1.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.14 1n0j h ASN 36 CO 0.09 0.67 -0.63 0.78 -0.00 0.00 0.00 177.43 178.34 1n0j h ASN 37 N 0.56 0.20 -0.85 1.15 -0.26 -1.09 -1.75 115.58 113.55 1n0j h ASN 37 Ca 0.14 -0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 1n0j h ASN 37 Cb 0.27 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.41 1n0j h ASN 37 CO -0.00 0.78 0.52 0.25 -1.06 0.00 0.00 177.43 177.91 1n0j h LEU 38 N 0.13 0.79 -0.48 1.61 5.85 -0.53 -0.91 115.31 121.76 1n0j h LEU 38 Ca -0.01 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1n0j h LEU 38 Cb 1.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1n0j h LEU 38 CO 0.09 0.50 -0.40 0.78 -0.34 0.00 0.00 178.44 179.07 1n0j h ASN 39 N 0.92 0.86 -0.30 1.25 2.35 -0.72 -0.66 115.58 119.29 1n0j h ASN 39 Ca 0.38 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1n0j h ASN 39 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1n0j h ASN 39 CO -0.19 1.15 0.12 0.58 -1.65 0.00 0.00 177.43 177.44 1n0j h VAL 40 N 0.66 1.18 -0.09 2.81 2.07 -1.08 -2.93 116.25 118.87 1n0j h VAL 40 Ca 0.05 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1n0j h VAL 40 Cb 0.97 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1n0j h VAL 40 CO 0.09 0.19 -0.03 0.74 0.02 0.00 0.00 177.57 178.59 1n0j h THR 41 N 0.33 1.30 -0.37 2.57 2.02 -1.02 -1.29 112.91 116.45 1n0j h THR 41 Ca 0.10 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.39 1n0j h THR 41 Cb 0.19 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1n0j h THR 41 CO -0.01 0.27 0.26 -0.33 0.37 0.00 0.00 175.52 176.08 1n0j h GLU 42 N -0.15 0.15 -0.04 6.66 5.08 -1.17 -1.13 114.58 123.99 1n0j h GLU 42 Ca 0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1n0j h GLU 42 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1n0j h GLU 42 CO 0.01 0.10 -0.18 1.49 -1.00 0.00 0.00 179.01 179.43 1n0j h GLU 43 N 0.16 0.20 -0.82 2.33 4.81 -1.27 -2.00 114.58 117.99 1n0j h GLU 43 Ca 0.17 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1n0j h GLU 43 Cb 0.47 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1n0j h GLU 43 CO -0.02 0.80 0.54 0.87 -0.73 0.00 0.00 179.01 180.46 1n0j h LYS 44 N -0.36 0.80 -0.04 1.92 1.57 -0.77 -2.65 116.57 117.04 1n0j h LYS 44 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1n0j h LYS 44 Cb 0.83 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1n0j h LYS 44 CO 0.04 0.53 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.53 1n0j h TYR 45 N 0.83 0.08 -0.41 -1.35 5.03 -1.12 -0.52 116.97 119.50 1n0j h TYR 45 Ca 0.37 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.73 1n0j h TYR 45 Cb 0.36 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.56 1n0j h TYR 45 CO -0.00 0.37 0.07 0.37 -1.32 0.00 0.00 178.16 177.65 1n0j h GLN 46 N -0.24 0.19 -0.85 1.82 4.15 -1.12 0.47 115.11 119.52 1n0j h GLN 46 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1n0j h GLN 46 Cb 0.34 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1n0j h GLN 46 CO 0.00 0.12 0.52 1.49 -1.93 0.00 0.00 178.83 179.04 1n0j h GLU 47 N 0.19 1.15 -0.64 1.69 4.81 -1.29 -0.57 114.58 119.91 1n0j h GLU 47 Ca 0.20 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1n0j h GLU 47 Cb 0.25 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1n0j h GLU 47 CO -0.28 0.79 0.14 0.00 -0.73 0.00 0.00 179.01 178.94 1n0j h ALA 48 N 1.41 1.04 -0.70 2.92 0.00 0.76 -2.50 119.26 122.18 1n0j h ALA 48 Ca 0.31 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1n0j h ALA 48 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1n0j h ALA 48 CO -0.06 0.63 0.16 1.25 0.00 0.00 0.00 179.25 181.23 1n0j h LEU 49 N 0.97 1.08 -0.31 0.00 5.85 0.72 -1.93 115.31 121.69 1n0j h LEU 49 Ca 0.20 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1n0j h LEU 49 Cb 0.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1n0j h LEU 49 CO 0.00 1.04 0.06 0.00 -0.34 0.00 0.00 178.44 179.20 1n0j h ALA 50 N 1.08 0.41 0.00 1.25 0.00 -1.01 -1.48 119.26 119.51 1n0j h ALA 50 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n0j h ALA 50 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n0j h ALA 50 CO 0.00 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.98 1n0j n LYS 51 N -4.63 0.17 -1.09 0.00 5.02 -0.95 -4.84 118.16 111.85 1n0j n LYS 51 Ca -0.02 0.17 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 1n0j n LYS 51 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1n0j n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n0j n GLY 52 N -0.20 0.55 3.57 0.72 0.00 -0.56 -4.95 105.19 104.33 1n0j n GLY 52 Ca 0.06 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1n0j n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n0j s ASP 53 N -2.31 6.47 0.01 1.61 3.68 -0.77 -4.89 116.67 120.47 1n0j s ASP 53 Ca 0.00 0.10 -0.11 0.00 2.13 0.00 0.00 52.55 54.67 1n0j s ASP 53 Cb 0.00 -2.53 -0.32 0.00 -1.45 0.00 0.00 42.92 38.62 1n0j s ASP 53 CO 0.00 -1.37 0.92 0.58 0.13 0.00 0.00 175.17 175.42 1n0j h VAL 54 N 6.15 1.21 -0.57 1.11 2.07 -1.92 -2.70 116.25 121.59 1n0j h VAL 54 Ca -0.25 -2.72 0.05 0.00 0.82 0.00 0.00 66.70 64.61 1n0j h VAL 54 Cb 1.06 2.92 -0.05 0.00 -1.52 0.00 0.00 31.29 33.70 1n0j h VAL 54 CO 1.15 0.84 0.29 0.74 0.02 0.00 0.00 177.57 180.61 1n0j h THR 55 N 0.12 0.94 -0.31 2.57 2.02 -1.99 -1.78 112.91 114.48 1n0j h THR 55 Ca -0.26 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1n0j h THR 55 Cb 2.11 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1n0j h THR 55 CO 0.23 0.10 0.10 0.00 0.37 0.00 0.00 175.52 176.32 1n0j h ALA 56 N 1.31 0.40 -0.73 6.16 0.00 -1.97 -1.24 119.26 123.20 1n0j h ALA 56 Ca 0.26 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1n0j h ALA 56 Cb 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1n0j h ALA 56 CO -0.18 0.03 0.48 1.96 0.00 0.00 0.00 179.25 181.54 1n0j h GLN 57 N 0.34 0.58 0.08 0.00 4.20 -1.16 -1.61 115.11 117.55 1n0j h GLN 57 Ca 0.10 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.52 1n0j h GLN 57 Cb 0.23 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1n0j h GLN 57 CO -0.00 0.38 -1.18 0.82 -0.67 0.00 0.00 178.83 178.18 1n0j h ILE 58 N 0.60 1.55 -0.21 2.54 2.04 -1.14 -2.96 117.51 119.94 1n0j h ILE 58 Ca 0.34 -3.17 -0.04 0.00 1.00 0.00 0.00 64.86 62.99 1n0j h ILE 58 Cb 0.53 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1n0j h ILE 58 CO -0.12 0.92 -0.04 0.00 0.00 0.00 0.00 178.15 178.91 1n0j h ALA 59 N 0.72 1.55 0.00 1.87 0.00 -0.40 -2.56 119.26 120.44 1n0j h ALA 59 Ca -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1n0j h ALA 59 Cb 1.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1n0j h ALA 59 CO 0.18 0.32 -0.36 -0.07 0.00 0.00 0.00 179.25 179.32 1n0j h LEU 60 N 0.31 0.00 -0.72 0.00 4.07 -1.33 -3.40 115.31 114.24 1n0j h LEU 60 Ca 0.07 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.15 1n0j h LEU 60 Cb 0.27 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.92 1n0j h LEU 60 CO 0.01 0.11 0.31 1.56 -1.08 0.00 0.00 178.44 179.35 1n0j h GLN 61 N 0.00 0.48 -0.31 1.13 4.20 -1.28 -1.90 115.11 117.43 1n0j h GLN 61 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1n0j h GLN 61 Cb 1.09 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1n0j h GLN 61 CO 0.01 0.32 0.20 -1.00 -0.67 0.00 0.00 178.83 177.69 1n0j h PRO 62 N 0.50 0.42 -0.72 1.46 0.13 -1.79 0.16 132.00 132.16 1n0j h PRO 62 Ca 0.38 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.52 1n0j h PRO 62 Cb 0.50 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 1n0j h PRO 62 CO -0.34 0.30 0.47 0.00 -0.23 0.00 0.00 178.00 178.20 1n0j h ALA 63 N 1.09 1.62 -0.08 -0.56 0.00 -1.80 -0.38 119.26 119.14 1n0j h ALA 63 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1n0j h ALA 63 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1n0j h ALA 63 CO -0.02 0.30 -0.83 1.25 0.00 0.00 0.00 179.25 179.95 1n0j h LEU 64 N 0.84 0.69 -0.62 0.00 5.85 -0.94 -2.01 115.31 119.12 1n0j h LEU 64 Ca 0.29 -0.49 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 1n0j h LEU 64 Cb 0.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1n0j h LEU 64 CO -0.09 1.27 -0.40 0.50 -0.34 0.00 0.00 178.44 179.38 1n0j h LYS 65 N 0.37 0.63 0.06 1.25 3.64 -0.67 -1.47 116.57 120.38 1n0j h LYS 65 Ca -0.06 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1n0j h LYS 65 Cb 1.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1n0j h LYS 65 CO 0.15 0.92 -0.03 0.35 -2.27 0.00 0.00 179.45 178.57 1n0j h PHE 66 N 0.52 -0.08 0.04 1.91 3.04 -1.11 -1.55 116.94 119.70 1n0j h PHE 66 Ca 0.04 -0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.76 1n0j h PHE 66 Cb 0.92 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 1n0j h PHE 66 CO 0.04 0.28 -1.11 -0.91 -2.02 0.00 0.00 178.31 174.60 1n0j h ASN 67 N -0.45 0.13 -0.08 0.41 4.21 -1.47 -0.97 115.58 117.35 1n0j h ASN 67 Ca -0.01 -0.14 -0.07 0.00 1.21 0.00 0.00 56.30 57.29 1n0j h ASN 67 Cb 0.40 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1n0j h ASN 67 CO 0.01 1.11 -0.21 1.23 -1.29 0.00 0.00 177.43 178.28 1n0j h GLY 68 N 2.60 0.32 0.88 2.83 0.00 -1.39 -2.64 103.07 105.67 1n0j h GLY 68 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1n0j h GLY 68 CO 0.15 0.35 0.17 -1.33 0.00 0.00 0.00 176.54 175.89 1n0j h GLY 69 N -0.19 0.44 0.35 4.60 0.00 -1.36 -1.62 103.07 105.29 1n0j h GLY 69 Ca -0.00 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.29 1n0j h GLY 69 CO 0.05 0.10 0.09 -1.33 0.00 0.00 0.00 176.54 175.45 1n0j h GLY 70 N 0.36 0.60 1.00 4.60 0.00 -1.19 -0.04 103.07 108.39 1n0j h GLY 70 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1n0j h GLY 70 CO -0.08 -0.07 0.20 0.84 0.00 0.00 0.00 176.54 177.43 1n0j h HIS 71 N 0.23 0.38 0.18 5.60 6.17 -1.34 -0.89 115.15 125.47 1n0j h HIS 71 Ca 0.25 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.33 1n0j h HIS 71 Cb 0.34 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1n0j h HIS 71 CO -0.23 0.24 -0.09 0.82 0.71 0.00 0.00 177.93 179.38 1n0j h ILE 72 N 0.41 0.89 -0.26 6.26 2.04 -0.60 -2.38 117.51 123.87 1n0j h ILE 72 Ca 0.11 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1n0j h ILE 72 Cb -0.05 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1n0j h ILE 72 CO -0.03 0.09 0.08 0.78 0.00 0.00 0.00 178.15 179.08 1n0j h ASN 73 N -0.44 0.38 0.55 1.72 2.35 -1.02 -1.42 115.58 117.69 1n0j h ASN 73 Ca -0.03 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1n0j h ASN 73 Cb 0.34 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1n0j h ASN 73 CO 0.04 0.48 -0.33 0.45 -1.65 0.00 0.00 177.43 176.42 1n0j h HIS 74 N 0.26 0.00 -0.18 1.19 3.86 -1.16 -0.49 115.15 118.63 1n0j h HIS 74 Ca 0.08 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.12 1n0j h HIS 74 Cb 0.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1n0j h HIS 74 CO 0.00 0.33 -0.60 0.77 0.86 0.00 0.00 177.93 179.29 1n0j h SER 75 N 0.00 0.66 0.01 2.45 0.02 -1.21 -1.63 113.55 113.86 1n0j h SER 75 Ca -0.00 -0.37 -0.20 0.00 -0.84 0.00 0.00 61.79 60.37 1n0j h SER 75 Cb 0.69 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1n0j h SER 75 CO 0.04 1.11 -0.74 0.40 -1.14 0.00 0.00 176.83 176.50 1n0j h ILE 76 N 0.44 1.32 -0.12 3.27 2.04 -0.44 -3.27 117.51 120.74 1n0j h ILE 76 Ca -0.00 -2.02 0.04 0.00 1.00 0.00 0.00 64.86 63.87 1n0j h ILE 76 Cb 1.16 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 1n0j h ILE 76 CO 0.11 0.63 -0.12 0.15 0.00 0.00 0.00 178.15 178.92 1n0j h PHE 77 N 0.44 -0.31 -0.71 1.37 3.57 -0.57 -1.85 116.94 118.88 1n0j h PHE 77 Ca -0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1n0j h PHE 77 Cb 1.35 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.20 1n0j h PHE 77 CO 0.07 -0.18 0.47 -1.49 -2.23 0.00 0.00 178.31 174.94 1n0j h TRP 78 N -0.15 0.87 0.00 0.41 -0.00 -1.37 -0.16 115.95 115.55 1n0j h TRP 78 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1n0j h TRP 78 Cb 0.27 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1n0j h TRP 78 CO -0.24 0.54 0.00 1.79 -0.00 0.00 0.00 178.44 180.53 1n0j h THR 79 N 0.93 0.00 0.00 1.49 1.35 -1.45 -3.18 112.91 112.05 1n0j h THR 79 Ca 0.27 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1n0j h THR 79 Cb -0.06 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1n0j h THR 79 CO -0.06 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 175.99 1n0j h ASN 80 N 0.00 0.00 -3.34 5.36 -0.26 -0.44 -3.45 115.58 113.46 1n0j h ASN 80 Ca 0.00 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.09 1n0j h ASN 80 Cb 0.81 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.91 1n0j h ASN 80 CO 0.00 0.00 -0.76 -0.76 -1.06 0.00 0.00 177.43 174.85 1n0j s LEU 81 N -4.82 2.87 -0.11 1.61 1.43 -1.20 0.61 118.68 119.06 1n0j s LEU 81 Ca 0.07 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 1n0j s LEU 81 Cb 0.10 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.74 1n0j s LEU 81 CO 0.51 0.14 0.50 -0.55 0.23 0.00 0.00 176.35 177.18 1n0j s SER 82 N -2.49 -0.47 0.50 2.29 0.15 0.20 -4.65 113.70 109.24 1n0j s SER 82 Ca 0.22 0.70 0.25 0.00 0.70 0.00 0.00 55.95 57.82 1n0j s SER 82 Cb -0.10 0.73 1.34 0.00 -1.71 0.00 0.00 66.02 66.28 1n0j s SER 82 CO 0.13 -0.36 1.93 1.55 1.20 0.00 0.00 173.24 177.70 1n0j h PRO 83 N 4.37 0.11 -0.74 5.44 0.13 -1.85 -2.80 132.00 136.65 1n0j h PRO 83 Ca -0.28 -0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.33 1n0j h PRO 83 Cb 1.17 -0.02 -0.32 0.00 0.13 0.00 0.00 31.00 31.95 1n0j h PRO 83 CO 0.29 0.07 -0.13 0.09 -0.23 0.00 0.00 178.00 178.09 1n0j n ASN 84 N -4.37 5.23 -0.03 1.44 3.02 -1.26 -4.99 115.26 114.30 1n0j n ASN 84 Ca 0.15 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 1n0j n ASN 84 Cb 0.73 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1n0j n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0j n GLY 85 N -0.87 6.42 0.00 7.41 0.00 -1.06 -5.01 105.19 112.09 1n0j n GLY 85 Ca 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1n0j n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n0j n GLY 86 N 5.00 -2.84 6.16 -0.02 0.00 0.83 -4.63 105.19 109.69 1n0j n GLY 86 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1n0j n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n0j n GLY 87 N -0.01 0.42 3.00 -0.02 0.00 -1.26 -4.74 105.19 102.58 1n0j n GLY 87 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1n0j n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n0j s GLU 88 N 0.00 0.49 1.02 1.61 2.02 -1.26 -5.06 118.70 117.52 1n0j s GLU 88 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 1n0j s GLU 88 Cb 0.00 -0.39 0.19 0.00 0.10 0.00 0.00 34.13 34.03 1n0j s GLU 88 CO 0.00 0.10 1.01 -0.35 0.02 0.00 0.00 175.26 176.04 1n0j n PRO 89 N 2.38 -1.23 -4.22 0.39 -0.04 -1.26 -5.02 135.00 126.00 1n0j n PRO 89 Ca -0.17 -0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 62.86 1n0j n PRO 89 Cb 0.57 -2.25 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 1n0j n PRO 89 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n0j s LYS 90 N -4.45 1.00 4.35 0.54 1.02 -1.26 -4.55 119.74 116.40 1n0j s LYS 90 Ca 0.67 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1n0j s LYS 90 Cb -0.23 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 1n0j s LYS 90 CO 0.62 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 1n0j n GLY 91 N -0.16 0.72 0.22 -3.33 0.00 -1.26 -3.57 105.19 97.81 1n0j n GLY 91 Ca -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 1n0j n GLY 91 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1n0j h GLU 92 N 0.00 0.39 -0.41 1.61 4.11 -1.99 -2.02 114.58 116.27 1n0j h GLU 92 Ca 0.00 -0.17 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 1n0j h GLU 92 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1n0j h GLU 92 CO 0.00 0.68 0.09 1.25 0.07 0.00 0.00 179.01 181.10 1n0j h LEU 93 N 0.33 0.64 -0.66 3.06 6.46 -1.96 0.76 115.31 123.94 1n0j h LEU 93 Ca 0.04 -0.24 -0.12 0.00 -0.12 0.00 0.00 57.88 57.44 1n0j h LEU 93 Cb 0.75 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1n0j h LEU 93 CO 0.06 0.71 -0.22 0.25 -0.62 0.00 0.00 178.44 178.62 1n0j h LEU 94 N 0.53 0.82 -1.23 2.25 5.85 -1.53 -1.75 115.31 120.25 1n0j h LEU 94 Ca 0.13 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1n0j h LEU 94 Cb 0.33 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1n0j h LEU 94 CO 0.00 1.01 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.41 1n0j h GLU 95 N 0.70 0.00 -0.48 1.25 4.39 -0.69 0.40 114.58 120.15 1n0j h GLU 95 Ca 0.10 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1n0j h GLU 95 Cb 0.74 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1n0j h GLU 95 CO 0.06 0.38 -0.12 0.00 -1.16 0.00 0.00 179.01 178.17 1n0j h ALA 96 N 1.62 0.88 -0.42 3.43 0.00 -0.07 0.70 119.26 125.41 1n0j h ALA 96 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1n0j h ALA 96 Cb 0.70 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1n0j h ALA 96 CO 0.05 0.64 0.02 0.82 0.00 0.00 0.00 179.25 180.78 1n0j h ILE 97 N 0.80 1.26 -0.06 0.00 2.04 -0.77 -0.39 117.51 120.38 1n0j h ILE 97 Ca 0.13 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1n0j h ILE 97 Cb 0.64 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1n0j h ILE 97 CO 0.04 0.34 0.04 0.11 0.00 0.00 0.00 178.15 178.68 1n0j h LYS 98 N 0.57 0.09 -0.91 2.37 1.57 -0.65 -0.14 116.57 119.47 1n0j h LYS 98 Ca 0.12 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.03 1n0j h LYS 98 Cb 0.45 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1n0j h LYS 98 CO 0.02 0.11 0.52 -0.09 -0.57 0.00 0.00 179.45 179.44 1n0j h ARG 99 N 0.04 0.75 0.00 3.15 2.43 -0.68 -0.28 114.38 119.78 1n0j h ARG 99 Ca 0.02 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1n0j h ARG 99 Cb 0.05 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1n0j h ARG 99 CO -0.00 0.50 -2.04 -0.25 -1.51 0.00 0.00 179.97 176.66 1n0j n ASP 100 N -4.77 0.21 0.00 -3.80 8.00 -0.17 -4.49 116.55 111.53 1n0j n ASP 100 Ca 0.18 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1n0j n ASP 100 Cb 0.40 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 1n0j n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1n0j n PHE 101 N -2.64 0.00 0.00 1.24 3.01 -0.08 -5.02 117.46 113.98 1n0j n PHE 101 Ca -0.19 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.18 1n0j n PHE 101 Cb 0.91 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 1n0j n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n0j n GLY 102 N -0.09 2.23 3.73 1.37 0.00 -0.12 -4.41 105.19 107.90 1n0j n GLY 102 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 1n0j n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n0j s SER 103 N 0.00 -0.12 0.30 1.61 1.04 -1.26 -4.68 113.70 110.60 1n0j s SER 103 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1n0j s SER 103 Cb 0.00 0.39 0.48 0.00 0.10 0.00 0.00 66.02 66.98 1n0j s SER 103 CO 0.00 -0.72 1.85 0.15 0.98 0.00 0.00 173.24 175.50 1n0j h PHE 104 N 2.00 0.75 -0.11 5.02 3.57 -1.91 0.10 116.94 126.35 1n0j h PHE 104 Ca -0.26 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.01 1n0j h PHE 104 Cb 1.22 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.75 1n0j h PHE 104 CO 0.45 0.65 -0.58 -0.44 -2.23 0.00 0.00 178.31 176.16 1n0j h ASP 105 N 0.70 0.69 0.27 0.41 5.19 -1.95 0.68 116.42 122.42 1n0j h ASP 105 Ca 0.16 -0.65 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1n0j h ASP 105 Cb 0.29 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1n0j h ASP 105 CO 0.00 1.23 -0.13 0.11 -3.12 0.00 0.00 179.24 177.33 1n0j h LYS 106 N 0.21 0.00 -0.23 3.56 1.57 -1.80 -1.56 116.57 118.32 1n0j h LYS 106 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1n0j h LYS 106 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1n0j h LYS 106 CO 0.12 0.13 0.03 0.35 -0.57 0.00 0.00 179.45 179.51 1n0j h PHE 107 N 0.00 0.41 -0.59 -1.35 3.57 0.82 -2.98 116.94 116.82 1n0j h PHE 107 Ca -0.00 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1n0j h PHE 107 Cb 0.30 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1n0j h PHE 107 CO 0.00 0.52 0.39 0.87 -2.23 0.00 0.00 178.31 177.87 1n0j h LYS 108 N 0.18 0.77 -0.30 1.11 1.57 -0.38 -1.53 116.57 118.00 1n0j h LYS 108 Ca 0.07 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1n0j h LYS 108 Cb 0.34 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1n0j h LYS 108 CO 0.01 0.51 0.14 1.49 -0.57 0.00 0.00 179.45 181.03 1n0j h GLU 109 N 0.80 0.29 -0.18 3.15 4.81 -1.35 0.10 114.58 122.19 1n0j h GLU 109 Ca 0.22 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1n0j h GLU 109 Cb -0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1n0j h GLU 109 CO -0.05 0.19 0.01 0.87 -0.73 0.00 0.00 179.01 179.30 1n0j h LYS 110 N 0.30 0.31 0.00 1.92 1.57 -1.35 0.75 116.57 120.07 1n0j h LYS 110 Ca 0.13 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1n0j h LYS 110 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1n0j h LYS 110 CO -0.10 0.51 -0.44 1.25 -0.57 0.00 0.00 179.45 180.10 1n0j h LEU 111 N 0.08 0.00 -0.60 2.94 5.85 -1.26 -2.32 115.31 120.00 1n0j h LEU 111 Ca 0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1n0j h LEU 111 Cb 0.36 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1n0j h LEU 111 CO 0.01 0.44 -0.40 0.74 -0.34 0.00 0.00 178.44 178.89 1n0j h THR 112 N 0.00 1.29 -0.27 1.05 2.02 -0.30 -2.58 112.91 114.13 1n0j h THR 112 Ca -0.00 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.54 1n0j h THR 112 Cb 0.84 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1n0j h THR 112 CO 0.06 0.50 -0.10 0.00 0.37 0.00 0.00 175.52 176.35 1n0j h ALA 113 N 1.01 0.37 -0.64 6.16 0.00 -0.71 -1.59 119.26 123.86 1n0j h ALA 113 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1n0j h ALA 113 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1n0j h ALA 113 CO 0.08 0.21 0.42 0.00 0.00 0.00 0.00 179.25 179.97 1n0j h ALA 114 N 0.75 0.81 -0.04 0.00 0.00 -1.46 0.55 119.26 119.87 1n0j h ALA 114 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1n0j h ALA 114 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n0j h ALA 114 CO 0.03 0.25 -0.03 0.77 0.00 0.00 0.00 179.25 180.27 1n0j h SER 115 N 0.87 0.10 -1.00 0.00 0.02 -1.43 -3.05 113.55 109.06 1n0j h SER 115 Ca 0.24 -0.45 0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1n0j h SER 115 Cb -0.10 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.34 1n0j h SER 115 CO -0.05 0.53 0.64 0.58 -1.14 0.00 0.00 176.83 177.39 1n0j h VAL 116 N -0.33 1.05 0.00 2.27 2.07 -1.25 -2.26 116.25 117.80 1n0j h VAL 116 Ca 0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1n0j h VAL 116 Cb 0.50 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1n0j h VAL 116 CO 0.01 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1n0j n GLY 117 N -1.36 -0.95 3.73 2.17 0.00 0.18 -4.79 105.19 104.17 1n0j n GLY 117 Ca 0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1n0j n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n0j s VAL 118 N -3.07 3.96 -0.62 1.61 -7.23 -0.85 -4.93 120.40 109.26 1n0j s VAL 118 Ca 0.05 1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 61.52 1n0j s VAL 118 Cb 0.08 -3.99 0.04 0.00 0.56 0.00 0.00 36.38 33.07 1n0j s VAL 118 CO 0.23 0.20 1.06 -1.10 -0.31 0.00 0.00 175.10 175.19 1n0j s GLN 119 N 0.24 3.28 0.94 4.82 -0.21 -1.26 -4.83 119.66 122.64 1n0j s GLN 119 Ca 0.53 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.62 1n0j s GLN 119 Cb -0.29 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 29.61 1n0j s GLN 119 CO 0.33 -1.73 0.00 0.41 -2.12 0.00 0.00 175.29 172.17 1n0j n GLY 120 N 5.21 -0.15 3.81 3.09 0.00 -1.26 -4.94 105.19 110.95 1n0j n GLY 120 Ca 0.02 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1n0j n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n0j s SER 121 N -4.00 7.06 0.00 1.61 0.01 -1.26 -4.82 113.70 112.30 1n0j s SER 121 Ca 0.00 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1n0j s SER 121 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1n0j s SER 121 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1n0j n GLY 122 N 0.58 -1.45 3.06 3.44 0.00 -1.26 -0.95 105.19 108.61 1n0j n GLY 122 Ca -0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1n0j n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n0j s TRP 123 N -2.70 0.03 -0.01 1.61 0.52 -0.49 -1.10 118.94 116.79 1n0j s TRP 123 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.07 1n0j s TRP 123 Cb 0.00 -0.04 -0.04 0.00 -1.15 0.00 0.00 33.47 32.24 1n0j s TRP 123 CO 0.00 -0.22 -0.00 0.20 0.02 0.00 0.00 176.95 176.95 1n0j s GLY 124 N -1.03 1.87 0.02 0.98 0.00 -0.94 -0.79 107.32 107.43 1n0j s GLY 124 Ca -0.11 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1n0j s GLY 124 CO 0.01 -0.79 -0.11 -0.98 0.00 0.00 0.00 173.10 171.23 1n0j s TRP 125 N -1.05 0.92 -0.23 1.90 0.52 0.47 -1.05 118.94 120.41 1n0j s TRP 125 Ca 0.19 -0.31 -0.12 0.00 0.02 0.00 0.00 56.10 55.88 1n0j s TRP 125 Cb -0.11 -0.56 -0.05 0.00 -1.15 0.00 0.00 33.47 31.60 1n0j s TRP 125 CO 0.09 -0.01 0.21 -1.17 0.02 0.00 0.00 176.95 176.10 1n0j s LEU 126 N -0.89 4.12 0.24 2.99 2.96 0.44 -2.03 118.68 126.51 1n0j s LEU 126 Ca -0.00 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1n0j s LEU 126 Cb -0.07 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1n0j s LEU 126 CO 0.01 0.03 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.22 1n0j s GLY 127 N 1.07 1.63 -0.20 7.98 0.00 0.08 -1.70 107.32 116.18 1n0j s GLY 127 Ca 0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.97 1n0j s GLY 127 CO 0.05 -1.71 -0.02 -0.12 0.00 0.00 0.00 173.10 171.30 1n0j s PHE 128 N -3.31 2.99 -0.55 1.90 5.36 0.19 -0.88 117.98 123.68 1n0j s PHE 128 Ca 0.29 -0.62 -0.17 0.00 -0.96 0.00 0.00 56.93 55.46 1n0j s PHE 128 Cb 0.05 -2.07 0.11 0.00 -0.34 0.00 0.00 43.02 40.77 1n0j s PHE 128 CO 0.09 -0.34 0.58 1.21 -1.46 0.00 0.00 175.22 175.30 1n0j s ASN 129 N 1.11 6.19 0.45 6.13 3.84 0.64 -1.85 114.94 131.44 1n0j s ASN 129 Ca 0.02 -1.54 0.28 0.00 0.21 0.00 0.00 52.86 51.83 1n0j s ASN 129 Cb -0.15 -2.25 0.92 0.00 -0.55 0.00 0.00 41.25 39.23 1n0j s ASN 129 CO 0.01 -0.94 1.81 0.50 -2.79 0.00 0.00 177.10 175.69 1n0j h LYS 130 N 9.00 0.00 0.00 0.43 3.64 -1.88 0.57 116.57 128.33 1n0j h LYS 130 Ca -0.29 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1n0j h LYS 130 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1n0j h LYS 130 CO 1.04 0.00 -0.80 1.49 -2.27 0.00 0.00 179.45 178.91 1n0j h GLU 131 N 0.00 0.00 -0.00 1.90 4.81 -1.95 -3.33 114.58 116.01 1n0j h GLU 131 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n0j h GLU 131 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1n0j h GLU 131 CO 0.00 0.80 -0.34 0.54 -0.73 0.00 0.00 179.01 179.28 1n0j n ARG 132 N -3.49 3.04 -1.99 1.92 1.74 -0.93 -5.02 116.66 111.92 1n0j n ARG 132 Ca -0.00 -0.28 -0.04 0.00 -0.77 0.00 0.00 57.85 56.76 1n0j n ARG 132 Cb 0.79 -1.01 -0.00 0.00 -1.02 0.00 0.00 32.46 31.22 1n0j n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n0j n GLY 133 N 1.07 0.25 3.27 -0.13 0.00 0.20 -5.03 105.19 104.82 1n0j n GLY 133 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1n0j n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n0j s HIS 134 N -2.19 0.15 0.38 1.61 -3.43 -0.98 -4.99 115.29 105.84 1n0j s HIS 134 Ca 0.00 -0.54 -0.17 0.00 -0.80 0.00 0.00 55.06 53.55 1n0j s HIS 134 Cb 0.00 0.01 -0.09 0.00 -1.43 0.00 0.00 32.58 31.07 1n0j s HIS 134 CO 0.00 -0.63 0.83 -0.51 -2.00 0.00 0.00 174.74 172.43 1n0j s LEU 135 N -2.88 3.98 -0.20 5.38 1.43 -1.26 -0.26 118.68 124.87 1n0j s LEU 135 Ca 0.08 1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 54.44 1n0j s LEU 135 Cb 0.04 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 42.05 1n0j s LEU 135 CO -0.08 -0.30 0.52 -1.58 0.23 0.00 0.00 176.35 175.14 1n0j s GLN 136 N -3.17 0.59 0.08 1.70 0.74 -0.06 -4.89 119.66 114.64 1n0j s GLN 136 Ca 0.57 0.77 -0.19 0.00 0.05 0.00 0.00 55.36 56.57 1n0j s GLN 136 Cb -0.10 0.24 -0.07 0.00 1.10 0.00 0.00 33.01 34.19 1n0j s GLN 136 CO 0.17 -0.09 0.56 0.42 -0.55 0.00 0.00 175.29 175.80 1n0j s ILE 137 N 0.53 4.76 0.06 -2.34 1.01 -1.26 -0.74 121.20 123.22 1n0j s ILE 137 Ca -0.02 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1n0j s ILE 137 Cb -0.04 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1n0j s ILE 137 CO -0.03 0.53 -0.04 0.00 0.00 0.00 0.00 174.94 175.40 1n0j s ALA 138 N -1.14 0.56 0.04 9.38 0.00 -0.86 -4.97 121.76 124.76 1n0j s ALA 138 Ca 0.29 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1n0j s ALA 138 Cb -0.19 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1n0j s ALA 138 CO 0.19 -0.26 -0.26 0.00 0.00 0.00 0.00 175.76 175.43 1n0j s ALA 139 N -3.10 2.25 0.06 0.00 0.00 -1.26 -0.39 121.76 119.32 1n0j s ALA 139 Ca 0.02 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1n0j s ALA 139 Cb 0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1n0j s ALA 139 CO -0.06 0.53 -0.19 0.00 0.00 0.00 0.00 175.76 176.05 1n0j s PRO 141 N -1.43 3.99 3.43 0.00 0.04 -1.26 -1.40 135.00 138.37 1n0j s PRO 141 Ca 0.05 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1n0j s PRO 141 Cb -0.09 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1n0j s PRO 141 CO 0.02 -0.01 0.00 0.09 0.04 0.00 0.00 177.00 177.14 1n0j n ASN 142 N -0.88 0.00 -1.55 6.66 3.02 -0.13 -1.35 115.26 121.04 1n0j n ASN 142 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1n0j n ASN 142 Cb 0.54 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.91 1n0j n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0j n GLN 143 N 14.00 2.14 -2.21 3.52 1.13 -1.26 -4.16 117.38 130.54 1n0j n GLN 143 Ca 0.00 -3.11 -0.42 0.00 -1.94 0.00 0.00 57.00 51.53 1n0j n GLN 143 Cb 0.00 -1.96 -0.03 0.00 0.11 0.00 0.00 30.24 28.36 1n0j n GLN 143 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1n0j s ASP 144 N -2.02 6.84 0.54 1.08 -0.00 -0.46 -3.74 116.67 118.90 1n0j s ASP 144 Ca 0.49 2.13 -0.19 0.00 -0.00 0.00 0.00 52.55 54.97 1n0j s ASP 144 Cb 0.43 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.73 1n0j s ASP 144 CO 0.05 -0.73 1.10 -2.84 -0.00 0.00 0.00 175.17 172.75 1n0j s PRO 145 N 2.45 3.45 -0.03 8.23 0.02 -1.26 -4.72 135.00 143.14 1n0j s PRO 145 Ca 0.64 1.52 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 1n0j s PRO 145 Cb -0.32 -2.03 -0.19 0.00 0.02 0.00 0.00 34.50 31.99 1n0j s PRO 145 CO 0.27 -0.75 1.15 1.25 -0.33 0.00 0.00 177.00 178.58 1n0j h LEU 146 N 1.21 -0.09 -0.63 -5.54 5.85 -1.93 -2.69 115.31 111.49 1n0j h LEU 146 Ca -0.50 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 57.72 1n0j h LEU 146 Cb 1.25 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1n0j h LEU 146 CO 0.57 0.42 0.12 -0.61 -0.34 0.00 0.00 178.44 178.60 1n0j h GLN 147 N -0.63 1.04 -0.02 1.25 4.15 -1.85 -1.30 115.11 117.74 1n0j h GLN 147 Ca -0.01 -0.27 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 1n0j h GLN 147 Cb 0.52 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1n0j h GLN 147 CO 0.02 0.95 -0.62 0.78 -1.93 0.00 0.00 178.83 178.04 1n0j h GLY 148 N 0.95 0.10 0.55 2.39 0.00 -1.87 0.53 103.07 105.71 1n0j h GLY 148 Ca 0.20 -0.12 -0.30 0.00 0.00 0.00 0.00 47.33 47.11 1n0j h GLY 148 CO 0.01 0.11 -1.96 -1.30 0.00 0.00 0.00 176.54 173.40 1n0j n THR 149 N -3.83 1.40 -0.01 4.70 -2.24 -1.01 -4.66 114.28 108.63 1n0j n THR 149 Ca -0.02 -0.80 -0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1n0j n THR 149 Cb 0.62 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1n0j n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n0j n THR 150 N -2.88 0.10 0.00 4.28 -1.04 -0.50 -5.03 114.28 109.22 1n0j n THR 150 Ca -0.22 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1n0j n THR 150 Cb 1.05 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1n0j n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n0j n GLY 151 N 2.63 2.41 3.80 3.41 0.00 0.17 -4.99 105.19 112.62 1n0j n GLY 151 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1n0j n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n0j s LEU 152 N 0.00 4.12 -0.16 0.99 1.43 -1.26 -4.84 118.68 118.96 1n0j s LEU 152 Ca 0.00 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 1n0j s LEU 152 Cb 0.00 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 1n0j s LEU 152 CO 0.00 -0.31 0.69 -0.63 0.23 0.00 0.00 176.35 176.33 1n0j s ILE 153 N -1.86 4.99 0.07 -0.59 1.09 -0.77 -2.68 121.20 121.45 1n0j s ILE 153 Ca 0.57 1.35 -0.31 0.00 -1.10 0.00 0.00 60.65 61.16 1n0j s ILE 153 Cb -0.16 -4.01 -0.06 0.00 -1.06 0.00 0.00 42.46 37.17 1n0j s ILE 153 CO 0.20 0.12 1.30 -2.16 -0.10 0.00 0.00 174.94 174.30 1n0j s PRO 154 N 1.71 4.37 -0.07 2.79 0.04 -1.26 -0.64 135.00 141.93 1n0j s PRO 154 Ca 0.33 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1n0j s PRO 154 Cb -0.16 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1n0j s PRO 154 CO 0.12 -0.38 -0.09 1.28 0.04 0.00 0.00 177.00 177.98 1n0j n LEU 155 N 4.22 1.02 -3.81 -3.56 4.77 -0.69 -4.94 117.00 114.00 1n0j n LEU 155 Ca 0.11 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 1n0j n LEU 155 Cb 0.44 -0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 41.15 1n0j n LEU 155 CO 0.57 0.25 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.29 1n0j s LEU 156 N -6.21 1.15 0.11 2.23 2.96 -1.12 -4.58 118.68 113.22 1n0j s LEU 156 Ca -0.10 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1n0j s LEU 156 Cb 0.04 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 1n0j s LEU 156 CO 0.14 -0.10 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.14 1n0j s GLY 157 N 1.04 0.87 -0.15 7.98 0.00 -1.26 -0.42 107.32 115.38 1n0j s GLY 157 Ca -0.09 -1.26 -0.00 0.00 0.00 0.00 0.00 44.72 43.36 1n0j s GLY 157 CO -0.02 -1.34 -0.07 -0.42 0.00 0.00 0.00 173.10 171.25 1n0j s ILE 158 N -2.74 1.18 -0.10 0.90 1.01 -0.22 -4.87 121.20 116.36 1n0j s ILE 158 Ca 0.08 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1n0j s ILE 158 Cb -0.01 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1n0j s ILE 158 CO -0.01 0.25 1.13 -0.62 0.00 0.00 0.00 174.94 175.70 1n0j s ASP 159 N 1.62 7.11 -0.14 3.58 3.68 -1.26 -2.21 116.67 129.04 1n0j s ASP 159 Ca 0.02 1.68 0.18 0.00 2.13 0.00 0.00 52.55 56.56 1n0j s ASP 159 Cb -0.14 -2.55 0.35 0.00 -1.45 0.00 0.00 42.92 39.13 1n0j s ASP 159 CO -0.08 -0.57 1.23 1.33 0.13 0.00 0.00 175.17 177.21 1n0j n VAL 160 N 4.72 1.98 -1.60 1.11 0.24 -0.26 -4.85 118.33 119.67 1n0j n VAL 160 Ca 0.11 -2.12 -0.37 0.00 -2.04 0.00 0.00 64.34 59.93 1n0j n VAL 160 Cb 0.47 -0.22 0.08 0.00 -1.47 0.00 0.00 33.84 32.69 1n0j n VAL 160 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1n0j n TRP 161 N -1.13 1.57 0.17 6.34 7.02 -1.19 -4.51 117.44 125.71 1n0j n TRP 161 Ca 0.17 0.42 0.03 0.00 -1.02 0.00 0.00 57.50 57.10 1n0j n TRP 161 Cb 0.70 -2.21 0.31 0.00 -2.42 0.00 0.00 31.31 27.69 1n0j n TRP 161 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1n0j h GLU 162 N 0.27 0.00 0.00 -0.99 5.08 -1.93 -1.04 114.58 115.96 1n0j h GLU 162 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1n0j h GLU 162 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1n0j h GLU 162 CO 0.51 0.44 0.00 1.12 -1.00 0.00 0.00 179.01 180.08 1n0j h HIS 163 N 0.00 0.00 0.00 4.33 2.07 -1.99 -0.31 115.15 119.25 1n0j h HIS 163 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1n0j h HIS 163 Cb 0.88 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1n0j h HIS 163 CO 0.00 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 174.56 1n0j h ALA 164 N 2.03 0.81 0.00 6.11 0.00 -1.51 -3.41 119.26 123.29 1n0j h ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n0j h ALA 164 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n0j h ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 1n0j n TYR 165 N -2.32 0.00 -0.31 0.00 4.11 -1.04 -5.00 117.16 112.60 1n0j n TYR 165 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.90 1n0j n TYR 165 Cb 0.45 0.00 0.10 0.00 -0.00 0.00 0.00 39.34 39.89 1n0j n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1n0j h TYR 166 N 0.00 1.20 0.00 -3.48 3.20 -1.26 0.19 116.97 116.82 1n0j h TYR 166 Ca 0.00 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1n0j h TYR 166 Cb 0.00 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 1n0j h TYR 166 CO 0.00 0.85 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.08 1n0j h LEU 167 N 1.20 0.00 0.00 2.82 3.38 -1.90 -1.01 115.31 119.80 1n0j h LEU 167 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1n0j h LEU 167 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1n0j h LEU 167 CO -0.04 0.22 -0.64 1.67 0.09 0.00 0.00 178.44 179.74 1n0j n GLN 168 N -4.07 0.43 -0.21 1.13 7.27 -0.95 -4.63 117.38 116.36 1n0j n GLN 168 Ca -0.02 0.36 0.11 0.00 0.07 0.00 0.00 57.00 57.53 1n0j n GLN 168 Cb 0.29 -1.48 0.26 0.00 2.41 0.00 0.00 30.24 31.72 1n0j n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1n0j n TYR 169 N -4.31 0.54 -0.85 3.69 4.02 0.61 -5.04 117.16 115.83 1n0j n TYR 169 Ca -0.09 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1n0j n TYR 169 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 1n0j n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1n0j n LYS 170 N 1.29 0.00 0.00 -0.72 4.01 -0.38 -1.30 118.16 121.06 1n0j n LYS 170 Ca 0.19 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.10 1n0j n LYS 170 Cb 0.55 0.00 0.65 0.00 -0.51 0.00 0.00 35.03 35.72 1n0j n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1n0j n ASN 171 N 0.47 0.00 -4.36 4.39 6.94 -1.26 -4.37 115.26 117.07 1n0j n ASN 171 Ca 0.00 -0.75 -0.45 0.00 -0.02 0.00 0.00 54.58 53.36 1n0j n ASN 171 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1n0j n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1n0j s VAL 172 N -2.00 5.74 0.29 3.53 1.01 -0.42 -4.78 120.40 123.77 1n0j s VAL 172 Ca 0.33 -3.01 -0.02 0.00 0.00 0.00 0.00 61.98 59.28 1n0j s VAL 172 Cb 0.15 -4.62 0.24 0.00 0.00 0.00 0.00 36.38 32.15 1n0j s VAL 172 CO 0.25 -1.22 1.94 -0.09 0.00 0.00 0.00 175.10 175.99 1n0j h ARG 173 N 7.10 1.06 -0.33 2.72 2.43 -1.83 0.15 114.38 125.67 1n0j h ARG 173 Ca 0.18 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1n0j h ARG 173 Cb 0.92 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1n0j h ARG 173 CO 0.98 0.74 0.27 -1.35 -1.51 0.00 0.00 179.97 179.10 1n0j h PRO 174 N 1.08 0.00 0.05 0.20 0.11 -1.98 -2.15 132.00 129.31 1n0j h PRO 174 Ca 0.28 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.13 1n0j h PRO 174 Cb -0.05 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.07 1n0j h PRO 174 CO -0.05 0.00 -1.09 -0.44 -0.21 0.00 0.00 178.00 176.21 1n0j h ASP 175 N 0.00 0.70 -0.39 -2.05 3.32 -1.34 -0.92 116.42 115.74 1n0j h ASP 175 Ca 0.16 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.62 1n0j h ASP 175 Cb 0.70 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1n0j h ASP 175 CO -0.00 1.41 0.22 0.22 -1.72 0.00 0.00 179.24 179.38 1n0j h TYR 176 N 0.26 0.42 -0.64 4.55 -0.00 -1.25 -1.70 116.97 118.62 1n0j h TYR 176 Ca -0.13 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.56 1n0j h TYR 176 Cb 1.75 -0.13 -0.03 0.00 -0.00 0.00 0.00 36.73 38.32 1n0j h TYR 176 CO 0.08 0.24 0.18 -0.07 -0.00 0.00 0.00 178.16 178.60 1n0j h LEU 177 N 0.45 0.94 -0.97 2.82 3.38 -1.25 0.50 115.31 121.19 1n0j h LEU 177 Ca 0.16 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1n0j h LEU 177 Cb 0.02 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1n0j h LEU 177 CO -0.08 0.91 0.63 0.11 0.09 0.00 0.00 178.44 180.10 1n0j h LYS 178 N 0.92 1.18 -0.60 1.13 1.57 -0.97 -2.84 116.57 116.96 1n0j h LYS 178 Ca 0.20 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1n0j h LYS 178 Cb 0.32 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1n0j h LYS 178 CO -0.00 0.78 0.15 0.00 -0.57 0.00 0.00 179.45 179.80 1n0j h ALA 179 N 1.40 0.79 -0.34 3.86 0.00 -0.60 -3.16 119.26 121.22 1n0j h ALA 179 Ca 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1n0j h ALA 179 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1n0j h ALA 179 CO -0.13 0.50 0.11 0.97 0.00 0.00 0.00 179.25 180.70 1n0j h ILE 180 N 0.87 1.15 0.00 0.00 2.10 -0.67 -2.56 117.51 118.39 1n0j h ILE 180 Ca 0.19 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1n0j h ILE 180 Cb 0.35 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1n0j h ILE 180 CO 0.00 0.18 0.00 -0.50 -1.08 0.00 0.00 178.15 176.75 1n0j h TRP 181 N 0.48 0.00 0.00 2.19 4.06 -1.54 -1.78 115.95 119.35 1n0j h TRP 181 Ca 0.12 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1n0j h TRP 181 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1n0j h TRP 181 CO 0.01 0.00 -0.09 -0.91 -3.56 0.00 0.00 178.44 173.89 1n0j h ASN 182 N 0.00 0.00 -0.20 -3.49 2.35 -1.64 -3.31 115.58 109.29 1n0j h ASN 182 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n0j h ASN 182 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1n0j h ASN 182 CO 0.00 0.09 0.00 1.33 -1.65 0.00 0.00 177.43 177.20 1n0j n VAL 183 N -3.13 1.63 -2.48 2.81 0.24 -0.67 -3.51 118.33 113.22 1n0j n VAL 183 Ca 0.03 -1.55 -0.43 0.00 -2.04 0.00 0.00 64.34 60.36 1n0j n VAL 183 Cb 0.54 0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1n0j n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1n0j s ILE 184 N -2.00 4.34 -1.19 1.34 1.01 -1.22 -0.63 121.20 122.85 1n0j s ILE 184 Ca 0.28 1.64 -0.20 0.00 0.00 0.00 0.00 60.65 62.37 1n0j s ILE 184 Cb 0.21 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1n0j s ILE 184 CO 0.08 -0.06 1.67 0.21 0.00 0.00 0.00 174.94 176.84 1n0j s ASN 185 N 1.60 6.57 0.57 3.58 3.84 0.20 -0.12 114.94 131.18 1n0j s ASN 185 Ca 0.54 -2.03 0.25 0.00 0.21 0.00 0.00 52.86 51.83 1n0j s ASN 185 Cb -0.22 -2.58 1.62 0.00 -0.55 0.00 0.00 41.25 39.52 1n0j s ASN 185 CO 0.18 -1.44 2.20 -0.50 -2.79 0.00 0.00 177.10 174.75 1n0j h TRP 186 N 8.53 0.00 -0.17 0.43 4.06 -1.85 -1.74 115.95 125.21 1n0j h TRP 186 Ca 0.35 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.25 1n0j h TRP 186 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1n0j h TRP 186 CO 1.36 0.00 -0.10 1.49 -3.56 0.00 0.00 178.44 177.63 1n0j h GLU 187 N 0.00 0.26 0.17 0.49 4.22 -1.96 -0.98 114.58 116.77 1n0j h GLU 187 Ca 0.01 -0.06 -0.30 0.00 0.08 0.00 0.00 59.36 59.10 1n0j h GLU 187 Cb 0.07 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1n0j h GLU 187 CO -0.00 0.38 -1.37 -0.97 -2.18 0.00 0.00 179.01 174.87 1n0j h ASN 188 N 0.25 0.55 0.13 1.04 -0.73 -1.63 -2.74 115.58 112.45 1n0j h ASN 188 Ca 0.05 -0.61 -0.19 0.00 1.87 0.00 0.00 56.30 57.43 1n0j h ASN 188 Cb 0.35 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1n0j h ASN 188 CO 0.02 1.48 -0.69 -0.37 -0.37 0.00 0.00 177.43 177.50 1n0j h VAL 189 N 0.10 1.35 -0.61 2.57 -1.51 -1.23 -1.03 116.25 115.88 1n0j h VAL 189 Ca -0.19 -2.03 0.12 0.00 -1.23 0.00 0.00 66.70 63.38 1n0j h VAL 189 Cb 2.04 2.00 -0.09 0.00 -2.13 0.00 0.00 31.29 33.11 1n0j h VAL 189 CO 0.22 0.62 0.09 0.74 -1.23 0.00 0.00 177.57 178.01 1n0j h THR 190 N 0.36 0.58 -0.50 7.19 2.02 -1.26 0.16 112.91 121.46 1n0j h THR 190 Ca -0.03 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1n0j h THR 190 Cb 1.27 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1n0j h THR 190 CO 0.13 0.04 0.05 -0.33 0.37 0.00 0.00 175.52 175.77 1n0j h GLU 191 N 0.21 0.86 -0.84 6.66 5.08 -1.06 0.49 114.58 125.97 1n0j h GLU 191 Ca 0.32 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1n0j h GLU 191 Cb 0.51 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1n0j h GLU 191 CO -0.45 0.87 0.49 0.00 -1.00 0.00 0.00 179.01 178.92 1n0j h ARG 192 N 0.73 0.80 -0.29 2.33 3.08 -0.81 -1.72 114.38 118.51 1n0j h ARG 192 Ca 0.15 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1n0j h ARG 192 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1n0j h ARG 192 CO 0.02 0.53 0.16 -0.92 -1.07 0.00 0.00 179.97 178.68 1n0j h TYR 193 N 0.82 0.39 -0.41 3.04 5.03 -0.54 -3.01 116.97 122.28 1n0j h TYR 193 Ca 0.41 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.71 1n0j h TYR 193 Cb 0.36 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 1n0j h TYR 193 CO -0.05 0.32 0.27 0.52 -1.32 0.00 0.00 178.16 177.90 1n0j h MET 194 N 0.35 0.53 0.00 1.82 2.86 -0.06 -2.90 114.93 117.52 1n0j h MET 194 Ca 0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1n0j h MET 194 Cb 0.06 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1n0j h MET 194 CO -0.02 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.30 1n0j n ALA 195 N -2.48 2.07 0.12 6.32 0.00 -0.79 -2.59 120.51 123.17 1n0j n ALA 195 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1n0j n ALA 195 Cb 0.07 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.22 1n0j n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n0j h LYS 197 N 0.00 0.00 0.00 0.00 1.57 -1.44 -3.52 116.57 113.18 1n0j h LYS 197 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n0j h LYS 197 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1n0j h LYS 197 CO 0.09 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.14