#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t33 n ASN 2 N 0.00 -1.08 -4.70 6.12 4.13 -1.26 -4.86 115.26 113.61 1t33 n ASN 2 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1t33 n ASN 2 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1t33 n ASN 2 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1t33 s ILE 3 N 0.00 3.21 0.35 2.41 1.01 -1.26 -4.98 121.20 121.93 1t33 s ILE 3 Ca 0.00 0.74 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 1t33 s ILE 3 Cb 0.00 -3.47 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 1t33 s ILE 3 CO 0.00 0.02 1.39 -2.65 0.00 0.00 0.00 174.94 173.70 1t33 n PRO 4 N 4.91 2.36 -2.91 2.79 -0.02 -1.26 -5.01 135.00 135.86 1t33 n PRO 4 Ca 0.14 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 62.09 1t33 n PRO 4 Cb 0.41 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1t33 n PRO 4 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t33 s THR 5 N -0.99 4.39 -0.26 3.45 2.01 -1.26 -5.00 115.64 117.99 1t33 s THR 5 Ca 0.56 1.51 0.13 0.00 0.31 0.00 0.00 61.69 64.19 1t33 s THR 5 Cb -0.53 -3.82 -0.17 0.00 0.01 0.00 0.00 72.50 67.99 1t33 s THR 5 CO 0.61 -0.00 0.38 0.35 -0.69 0.00 0.00 174.62 175.27 1t33 n THR 6 N 0.17 0.00 -4.51 -0.82 -2.24 -1.26 -4.97 114.28 100.65 1t33 n THR 6 Ca 0.03 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 1t33 n THR 6 Cb 0.52 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.19 1t33 n THR 6 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t33 s THR 7 N -2.57 1.86 0.16 4.28 -4.23 -1.26 -5.04 115.64 108.83 1t33 s THR 7 Ca -0.01 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 1t33 s THR 7 Cb 0.09 -2.68 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 1t33 s THR 7 CO 0.52 -0.16 1.42 0.74 -0.54 0.00 0.00 174.62 176.59 1t33 h THR 8 N 2.06 1.33 -0.54 3.99 2.02 -1.98 -1.85 112.91 117.94 1t33 h THR 8 Ca -0.42 -1.98 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 1t33 h THR 8 Cb 1.24 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.59 1t33 h THR 8 CO 0.72 0.61 0.17 0.11 0.37 0.00 0.00 175.52 177.49 1t33 h LYS 9 N 0.41 0.84 -0.40 6.66 1.57 -1.99 0.09 116.57 123.74 1t33 h LYS 9 Ca -0.02 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1t33 h LYS 9 Cb 1.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1t33 h LYS 9 CO 0.13 0.77 -0.08 0.78 -0.57 0.00 0.00 179.45 180.48 1t33 h GLY 10 N 0.74 0.83 1.69 3.86 0.00 -1.96 -1.65 103.07 106.57 1t33 h GLY 10 Ca 0.17 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1t33 h GLY 10 CO -0.01 0.61 -0.17 -2.09 0.00 0.00 0.00 176.54 174.89 1t33 h GLU 11 N 0.58 0.38 0.35 4.80 4.22 -1.19 -1.33 114.58 122.39 1t33 h GLU 11 Ca 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1t33 h GLU 11 Cb 0.60 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1t33 h GLU 11 CO 0.04 0.54 -0.17 0.37 -2.18 0.00 0.00 179.01 177.61 1t33 h GLN 12 N 0.35 -0.46 -0.82 1.92 5.75 -0.78 -2.43 115.11 118.64 1t33 h GLN 12 Ca 0.06 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1t33 h GLN 12 Cb 0.51 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 1t33 h GLN 12 CO 0.03 -0.14 0.52 0.00 -2.65 0.00 0.00 178.83 176.59 1t33 h ALA 13 N -0.52 1.09 -0.80 3.38 0.00 -1.28 -1.27 119.26 119.86 1t33 h ALA 13 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1t33 h ALA 13 Cb 0.53 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1t33 h ALA 13 CO 0.08 0.32 0.42 -0.22 0.00 0.00 0.00 179.25 179.85 1t33 h LYS 14 N 0.99 1.12 -0.27 0.00 3.64 -1.30 -1.24 116.57 119.51 1t33 h LYS 14 Ca 0.33 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1t33 h LYS 14 Cb 0.05 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1t33 h LYS 14 CO -0.13 0.84 -0.38 0.77 -2.27 0.00 0.00 179.45 178.28 1t33 h SER 15 N 1.12 0.66 0.58 4.20 0.02 -0.84 -2.48 113.55 116.81 1t33 h SER 15 Ca 0.28 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1t33 h SER 15 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1t33 h SER 15 CO -0.04 0.97 -0.54 1.56 -1.14 0.00 0.00 176.83 177.64 1t33 h GLN 16 N 0.52 0.00 -0.07 3.45 4.20 -0.77 -1.86 115.11 120.57 1t33 h GLN 16 Ca 0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1t33 h GLN 16 Cb 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1t33 h GLN 16 CO 0.08 0.54 -0.60 -0.07 -0.67 0.00 0.00 178.83 178.11 1t33 h LEU 17 N 0.00 0.27 -0.21 1.46 3.38 -1.04 -1.86 115.31 117.31 1t33 h LEU 17 Ca -0.01 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 1t33 h LEU 17 Cb 0.98 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1t33 h LEU 17 CO 0.07 0.81 -0.80 0.40 0.09 0.00 0.00 178.44 179.01 1t33 h ILE 18 N 0.18 1.31 -0.14 1.22 2.04 -1.23 -0.47 117.51 120.42 1t33 h ILE 18 Ca -0.01 -2.06 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 1t33 h ILE 18 Cb 1.10 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1t33 h ILE 18 CO 0.09 0.64 0.09 0.00 0.00 0.00 0.00 178.15 178.97 1t33 h ALA 19 N 0.65 0.18 -0.61 1.87 0.00 -1.25 0.20 119.26 120.30 1t33 h ALA 19 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1t33 h ALA 19 Cb 1.42 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1t33 h ALA 19 CO 0.16 -0.32 0.25 0.00 0.00 0.00 0.00 179.25 179.34 1t33 h ALA 20 N 1.02 0.79 -0.68 0.00 0.00 -1.34 -2.45 119.26 116.60 1t33 h ALA 20 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1t33 h ALA 20 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1t33 h ALA 20 CO -0.01 0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.87 1t33 h ALA 21 N 1.10 0.89 -0.99 0.00 0.00 -0.74 -0.62 119.26 118.89 1t33 h ALA 21 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1t33 h ALA 21 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1t33 h ALA 21 CO -0.02 0.55 0.66 -0.07 0.00 0.00 0.00 179.25 180.37 1t33 h LEU 22 N 0.99 1.12 0.24 0.00 3.38 -0.37 0.35 115.31 121.02 1t33 h LEU 22 Ca 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1t33 h LEU 22 Cb 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1t33 h LEU 22 CO -0.01 0.80 -0.12 0.00 0.09 0.00 0.00 178.44 179.21 1t33 h ALA 23 N 1.39 -0.32 -0.06 1.53 0.00 -0.96 0.53 119.26 121.37 1t33 h ALA 23 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1t33 h ALA 23 Cb -0.12 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1t33 h ALA 23 CO -0.09 -0.56 -0.01 1.96 0.00 0.00 0.00 179.25 180.55 1t33 h GLN 24 N -0.57 0.11 -0.62 0.00 1.08 -0.93 -2.36 115.11 111.82 1t33 h GLN 24 Ca -0.03 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1t33 h GLN 24 Cb 0.42 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1t33 h GLN 24 CO 0.05 0.44 0.05 0.74 -0.95 0.00 0.00 178.83 179.16 1t33 h PHE 25 N -0.22 1.13 -0.91 2.96 0.04 -0.41 0.29 116.94 119.81 1t33 h PHE 25 Ca 0.02 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1t33 h PHE 25 Cb 0.40 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1t33 h PHE 25 CO 0.05 0.97 0.60 0.78 -0.60 0.00 0.00 178.31 180.11 1t33 h GLY 26 N 1.02 1.31 0.83 -1.45 0.00 -0.86 0.30 103.07 104.22 1t33 h GLY 26 Ca 0.18 -0.44 -0.34 0.00 0.00 0.00 0.00 47.33 46.73 1t33 h GLY 26 CO 0.02 0.36 -1.83 -2.09 0.00 0.00 0.00 176.54 173.01 1t33 h GLU 27 N 1.11 0.22 -0.00 4.80 4.57 -1.11 -3.40 114.58 120.78 1t33 h GLU 27 Ca 0.37 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1t33 h GLU 27 Cb 0.07 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1t33 h GLU 27 CO -0.12 1.06 -0.01 0.66 -1.18 0.00 0.00 179.01 179.42 1t33 n TYR 28 N -3.40 0.00 -4.50 0.92 4.01 0.99 -5.10 117.16 110.08 1t33 n TYR 28 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1t33 n TYR 28 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1t33 n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t33 n GLY 29 N 0.31 0.73 0.00 2.72 0.00 0.10 -2.90 105.19 106.15 1t33 n GLY 29 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1t33 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t33 n LEU 30 N 0.00 0.00 0.02 0.99 4.77 -1.26 -2.59 117.00 118.93 1t33 n LEU 30 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1t33 n LEU 30 Cb 0.00 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 1t33 n LEU 30 CO 0.00 0.00 0.70 1.41 -1.33 0.00 0.00 177.39 178.17 1t33 n HIS 31 N -0.73 0.16 -2.04 -1.77 8.25 -1.14 -4.81 115.22 113.13 1t33 n HIS 31 Ca 0.10 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 1t33 n HIS 31 Cb 0.05 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.67 1t33 n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t33 s ALA 32 N -3.03 3.38 0.10 -1.41 0.00 -1.07 -5.00 121.76 114.74 1t33 s ALA 32 Ca 0.12 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 1t33 s ALA 32 Cb 0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1t33 s ALA 32 CO 0.62 -0.79 0.28 0.95 0.00 0.00 0.00 175.76 176.82 1t33 s THR 33 N -1.20 5.30 0.40 0.00 -4.23 -1.26 -4.99 115.64 109.66 1t33 s THR 33 Ca 0.54 -0.29 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1t33 s THR 33 Cb -0.40 -3.65 0.15 0.00 1.34 0.00 0.00 72.50 69.94 1t33 s THR 33 CO 0.52 0.06 1.91 0.71 -0.54 0.00 0.00 174.62 177.28 1t33 h THR 34 N 1.98 1.13 -0.34 3.99 1.35 -1.98 -1.62 112.91 117.42 1t33 h THR 34 Ca -0.46 -0.98 -0.03 0.00 -0.55 0.00 0.00 66.41 64.39 1t33 h THR 34 Cb 1.17 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1t33 h THR 34 CO 0.74 0.27 0.11 -0.09 -0.25 0.00 0.00 175.52 176.30 1t33 h ARG 35 N 0.00 0.53 -0.45 4.72 2.43 -1.96 0.82 114.38 120.47 1t33 h ARG 35 Ca -0.00 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1t33 h ARG 35 Cb 0.52 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1t33 h ARG 35 CO 0.04 0.56 0.02 -0.44 -1.51 0.00 0.00 179.97 178.63 1t33 h ASP 36 N 0.41 0.77 -0.45 -3.80 5.19 -1.88 0.69 116.42 117.34 1t33 h ASP 36 Ca 0.11 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1t33 h ASP 36 Cb 0.24 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1t33 h ASP 36 CO -0.00 0.87 0.18 0.40 -3.12 0.00 0.00 179.24 177.57 1t33 h ILE 37 N 0.64 1.21 0.13 0.35 2.04 -1.18 -0.08 117.51 120.62 1t33 h ILE 37 Ca 0.13 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1t33 h ILE 37 Cb 0.47 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1t33 h ILE 37 CO 0.02 0.24 -0.06 0.00 0.00 0.00 0.00 178.15 178.34 1t33 h ALA 38 N 1.02 -0.18 -0.52 1.87 0.00 -0.72 -1.10 119.26 119.63 1t33 h ALA 38 Ca 0.15 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1t33 h ALA 38 Cb 0.20 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1t33 h ALA 38 CO -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.74 1t33 h ALA 39 N 0.42 0.48 -0.45 0.00 0.00 -0.78 -0.27 119.26 118.66 1t33 h ALA 39 Ca -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1t33 h ALA 39 Cb 0.33 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1t33 h ALA 39 CO 0.03 -0.39 0.10 1.25 0.00 0.00 0.00 179.25 180.24 1t33 h LEU 40 N 0.10 0.63 -0.19 0.00 5.85 -0.89 -2.30 115.31 118.52 1t33 h LEU 40 Ca 0.26 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1t33 h LEU 40 Cb 0.40 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1t33 h LEU 40 CO -0.44 0.64 -0.09 0.00 -0.34 0.00 0.00 178.44 178.21 1t33 n ALA 41 N -2.47 2.71 -2.08 1.25 0.00 -0.43 -4.91 120.51 114.58 1t33 n ALA 41 Ca 0.03 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1t33 n ALA 41 Cb 0.21 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1t33 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t33 n GLY 42 N 1.27 0.11 3.66 0.00 0.00 -0.22 -4.78 105.19 105.23 1t33 n GLY 42 Ca 0.15 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1t33 n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t33 s GLN 43 N -4.34 2.04 0.48 1.61 -1.52 -0.67 -5.04 119.66 112.21 1t33 s GLN 43 Ca 0.00 -2.09 -0.06 0.00 -1.95 0.00 0.00 55.36 51.26 1t33 s GLN 43 Cb 0.00 -1.70 -0.04 0.00 -0.22 0.00 0.00 33.01 31.05 1t33 s GLN 43 CO 0.00 -0.10 0.79 1.21 -0.25 0.00 0.00 175.29 176.94 1t33 s ASN 44 N -3.77 6.29 0.54 5.90 2.47 -1.26 -4.14 114.94 120.97 1t33 s ASN 44 Ca 0.33 0.96 0.33 0.00 0.42 0.00 0.00 52.86 54.90 1t33 s ASN 44 Cb 0.08 -2.26 1.30 0.00 -1.45 0.00 0.00 41.25 38.91 1t33 s ASN 44 CO 0.17 -0.57 1.96 -0.29 -3.72 0.00 0.00 177.10 174.66 1t33 h ILE 45 N 0.30 0.01 0.00 -5.21 2.10 -1.92 -2.32 117.51 110.47 1t33 h ILE 45 Ca -0.47 -0.56 -0.01 0.00 1.08 0.00 0.00 64.86 64.91 1t33 h ILE 45 Cb 1.20 1.55 -0.00 0.00 -1.09 0.00 0.00 36.82 38.48 1t33 h ILE 45 CO 0.62 0.01 -0.03 0.00 -1.08 0.00 0.00 178.15 177.66 1t33 h ALA 46 N 1.99 0.99 -0.28 0.18 0.00 -1.98 -2.96 119.26 117.20 1t33 h ALA 46 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1t33 h ALA 46 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1t33 h ALA 46 CO 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 179.25 179.10 1t33 h ALA 47 N 1.97 1.15 -0.42 0.00 0.00 -1.80 -1.27 119.26 118.89 1t33 h ALA 47 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1t33 h ALA 47 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1t33 h ALA 47 CO 0.00 0.54 0.02 0.82 0.00 0.00 0.00 179.25 180.63 1t33 h ILE 48 N 0.45 1.26 -0.40 0.00 2.04 -1.64 -1.47 117.51 117.76 1t33 h ILE 48 Ca 0.07 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1t33 h ILE 48 Cb 0.59 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1t33 h ILE 48 CO 0.04 0.33 0.24 0.74 0.00 0.00 0.00 178.15 179.51 1t33 h THR 49 N 0.56 1.13 0.30 -0.27 2.02 -1.52 -0.42 112.91 114.70 1t33 h THR 49 Ca 0.12 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1t33 h THR 49 Cb 0.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1t33 h THR 49 CO 0.02 0.13 -0.14 0.22 0.37 0.00 0.00 175.52 176.11 1t33 h TYR 50 N 0.52 -0.37 0.01 3.16 3.20 -1.06 0.14 116.97 122.56 1t33 h TYR 50 Ca 0.14 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 1t33 h TYR 50 Cb -0.01 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1t33 h TYR 50 CO -0.04 -0.15 -0.88 1.88 -1.64 0.00 0.00 178.16 177.33 1t33 h TYR 51 N -0.53 0.07 0.00 -3.82 0.05 -1.30 -3.40 116.97 108.04 1t33 h TYR 51 Ca -0.04 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1t33 h TYR 51 Cb 0.39 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1t33 h TYR 51 CO -0.02 0.90 -0.88 1.19 -1.05 0.00 0.00 178.16 178.29 1t33 n PHE 52 N -3.54 0.00 0.00 4.88 3.72 -0.24 -4.56 117.46 117.72 1t33 n PHE 52 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1t33 n PHE 52 Cb 0.83 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1t33 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t33 n GLY 53 N 2.50 2.45 3.56 1.37 0.00 0.48 -4.64 105.19 110.90 1t33 n GLY 53 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1t33 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t33 s SER 54 N 0.00 -0.20 0.21 1.61 1.04 -1.26 -4.67 113.70 110.43 1t33 s SER 54 Ca 0.00 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 1t33 s SER 54 Cb 0.00 0.59 0.16 0.00 0.10 0.00 0.00 66.02 66.87 1t33 s SER 54 CO 0.00 -1.10 1.80 0.50 0.98 0.00 0.00 173.24 175.42 1t33 h LYS 55 N 2.21 1.15 -0.28 4.02 3.64 -1.93 -1.59 116.57 123.79 1t33 h LYS 55 Ca -0.27 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 1t33 h LYS 55 Cb 1.26 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1t33 h LYS 55 CO 0.36 0.90 -0.03 0.93 -2.27 0.00 0.00 179.45 179.34 1t33 h GLU 56 N 1.13 0.43 -0.01 1.90 3.07 -1.96 -1.17 114.58 117.96 1t33 h GLU 56 Ca 0.27 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 58.87 1t33 h GLU 56 Cb 0.14 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1t33 h GLU 56 CO -0.03 0.49 -0.78 -0.44 -1.40 0.00 0.00 179.01 176.84 1t33 h ASP 57 N 0.41 0.15 -0.17 1.42 3.32 -1.71 -2.66 116.42 117.18 1t33 h ASP 57 Ca 0.09 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1t33 h ASP 57 Cb 0.33 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1t33 h ASP 57 CO 0.01 0.87 -0.22 0.25 -1.72 0.00 0.00 179.24 178.44 1t33 h LEU 58 N 0.07 0.61 -0.17 1.55 5.85 -0.74 -0.33 115.31 122.16 1t33 h LEU 58 Ca -0.02 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1t33 h LEU 58 Cb 1.37 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1t33 h LEU 58 CO 0.11 0.83 0.10 0.22 -0.34 0.00 0.00 178.44 179.36 1t33 h TYR 59 N 0.54 0.22 -0.40 1.25 3.20 -1.07 -1.46 116.97 119.25 1t33 h TYR 59 Ca 0.08 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1t33 h TYR 59 Cb 0.67 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1t33 h TYR 59 CO 0.03 0.17 -0.06 1.25 -1.64 0.00 0.00 178.16 177.91 1t33 h LEU 60 N 0.20 0.64 -1.16 2.82 5.85 -1.23 -2.24 115.31 120.19 1t33 h LEU 60 Ca 0.06 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1t33 h LEU 60 Cb 0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1t33 h LEU 60 CO -0.01 0.75 0.42 0.00 -0.34 0.00 0.00 178.44 179.26 1t33 h ALA 61 N 1.32 1.37 -0.70 1.25 0.00 -0.55 0.39 119.26 122.34 1t33 h ALA 61 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1t33 h ALA 61 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1t33 h ALA 61 CO 0.02 0.53 0.19 0.00 0.00 0.00 0.00 179.25 180.00 1t33 h ALA 63 N 1.09 1.03 -0.36 0.00 0.00 -0.89 -0.13 119.26 120.00 1t33 h ALA 63 Ca 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1t33 h ALA 63 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t33 h ALA 63 CO -0.00 0.58 0.01 0.37 0.00 0.00 0.00 179.25 180.20 1t33 h GLN 64 N 1.13 0.64 -0.74 0.00 5.75 -0.24 -1.07 115.11 120.58 1t33 h GLN 64 Ca 0.28 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1t33 h GLN 64 Cb 0.09 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1t33 h GLN 64 CO -0.04 0.74 0.39 2.35 -2.65 0.00 0.00 178.83 179.62 1t33 h TRP 65 N 0.46 1.03 -0.62 3.99 7.01 -0.17 -0.88 115.95 126.77 1t33 h TRP 65 Ca 0.10 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 1t33 h TRP 65 Cb 0.45 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1t33 h TRP 65 CO 0.04 0.74 0.20 0.82 -2.79 0.00 0.00 178.44 177.44 1t33 h ILE 66 N 1.03 1.24 -0.11 2.65 2.04 -0.84 -0.33 117.51 123.19 1t33 h ILE 66 Ca 0.26 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1t33 h ILE 66 Cb 0.06 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1t33 h ILE 66 CO -0.04 0.32 0.07 0.00 0.00 0.00 0.00 178.15 178.50 1t33 h ALA 67 N 1.07 0.14 -0.33 1.87 0.00 -0.71 -0.98 119.26 120.32 1t33 h ALA 67 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1t33 h ALA 67 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1t33 h ALA 67 CO -0.01 -0.37 0.16 -0.44 0.00 0.00 0.00 179.25 178.59 1t33 h ASP 68 N 0.14 0.43 0.08 0.00 3.32 -1.02 0.11 116.42 119.48 1t33 h ASP 68 Ca 0.04 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1t33 h ASP 68 Cb -0.00 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1t33 h ASP 68 CO -0.01 0.43 -0.27 0.15 -1.72 0.00 0.00 179.24 177.82 1t33 h PHE 69 N 0.40 -0.74 -0.49 4.55 3.57 -0.81 -1.35 116.94 122.07 1t33 h PHE 69 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1t33 h PHE 69 Cb 0.12 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1t33 h PHE 69 CO -0.02 -0.37 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.47 1t33 h LEU 70 N -0.46 0.93 -1.16 0.59 4.07 -1.13 -2.17 115.31 115.98 1t33 h LEU 70 Ca 0.04 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1t33 h LEU 70 Cb 0.51 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 1t33 h LEU 70 CO -0.18 1.07 0.45 1.23 -1.08 0.00 0.00 178.44 179.93 1t33 h GLY 71 N 0.94 1.10 0.61 0.83 0.00 -0.57 -2.15 103.07 103.83 1t33 h GLY 71 Ca 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1t33 h GLY 71 CO 0.05 0.44 -0.04 -2.09 0.00 0.00 0.00 176.54 174.90 1t33 h GLU 72 N 1.04 0.13 -0.57 4.80 4.22 -1.11 -0.79 114.58 122.30 1t33 h GLU 72 Ca 0.27 -0.06 0.13 0.00 0.08 0.00 0.00 59.36 59.78 1t33 h GLU 72 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1t33 h GLU 72 CO -0.05 0.55 0.40 0.87 -2.18 0.00 0.00 179.01 178.60 1t33 h LYS 73 N -0.30 0.17 -0.28 1.92 1.79 -1.11 -2.25 116.57 116.51 1t33 h LYS 73 Ca 0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1t33 h LYS 73 Cb 0.52 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1t33 h LYS 73 CO 0.01 0.11 0.00 1.19 -1.08 0.00 0.00 179.45 179.68 1t33 n PHE 74 N -4.43 0.53 -0.11 -1.35 3.72 -0.84 -4.62 117.46 110.37 1t33 n PHE 74 Ca 0.10 -0.62 -0.10 0.00 -0.05 0.00 0.00 57.45 56.79 1t33 n PHE 74 Cb 0.52 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1t33 n PHE 74 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1t33 h ARG 75 N 1.70 0.50 -0.90 -1.08 2.43 -0.50 -1.76 114.38 114.77 1t33 h ARG 75 Ca 0.00 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1t33 h ARG 75 Cb 0.91 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1t33 h ARG 75 CO 0.06 0.51 0.59 -1.35 -1.51 0.00 0.00 179.97 178.27 1t33 h PRO 76 N 0.39 1.16 -0.62 0.20 0.11 -1.82 -0.57 132.00 130.84 1t33 h PRO 76 Ca 0.11 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1t33 h PRO 76 Cb 0.20 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1t33 h PRO 76 CO -0.01 0.77 0.11 1.25 -0.21 0.00 0.00 178.00 179.91 1t33 h HIS 77 N 1.19 1.05 -0.45 0.65 -0.00 -1.82 -0.61 115.15 115.16 1t33 h HIS 77 Ca 0.34 -0.13 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1t33 h HIS 77 Cb -0.09 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.01 1t33 h HIS 77 CO -0.01 0.89 0.04 0.00 -0.00 0.00 0.00 177.93 178.84 1t33 h ALA 78 N 1.17 0.61 -0.55 5.26 0.00 -0.72 0.02 119.26 125.05 1t33 h ALA 78 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1t33 h ALA 78 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1t33 h ALA 78 CO 0.01 0.37 0.25 0.93 0.00 0.00 0.00 179.25 180.81 1t33 h GLU 79 N 0.63 0.81 -0.42 0.00 5.08 -0.85 -1.54 114.58 118.28 1t33 h GLU 79 Ca 0.13 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1t33 h GLU 79 Cb 0.45 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1t33 h GLU 79 CO 0.02 0.68 0.09 0.87 -1.00 0.00 0.00 179.01 179.66 1t33 h LYS 80 N 0.75 0.68 -0.88 2.33 1.57 -0.94 -0.93 116.57 119.14 1t33 h LYS 80 Ca 0.19 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1t33 h LYS 80 Cb 0.15 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1t33 h LYS 80 CO -0.02 0.71 0.58 0.00 -0.57 0.00 0.00 179.45 180.14 1t33 h ALA 81 N 0.95 1.12 0.13 3.86 0.00 -0.79 0.13 119.26 124.65 1t33 h ALA 81 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1t33 h ALA 81 Cb 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1t33 h ALA 81 CO 0.00 0.54 -0.06 1.49 0.00 0.00 0.00 179.25 181.22 1t33 h GLU 82 N 1.20 -0.16 -0.38 0.00 4.57 -1.17 -1.27 114.58 117.37 1t33 h GLU 82 Ca 0.32 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.62 1t33 h GLU 82 Cb -0.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1t33 h GLU 82 CO -0.07 0.19 0.31 -0.09 -1.18 0.00 0.00 179.01 178.18 1t33 h ARG 83 N -0.55 0.00 0.22 1.92 2.43 -0.93 -1.16 114.38 116.31 1t33 h ARG 83 Ca -0.02 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.83 1t33 h ARG 83 Cb 0.43 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1t33 h ARG 83 CO 0.03 0.00 -1.46 1.25 -1.51 0.00 0.00 179.97 178.28 1t33 h LEU 84 N 0.00 0.73 0.00 3.80 7.12 -0.47 -3.27 115.31 123.22 1t33 h LEU 84 Ca 0.18 -0.81 0.00 0.00 0.13 0.00 0.00 57.88 57.38 1t33 h LEU 84 Cb 0.80 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1t33 h LEU 84 CO -0.00 1.64 0.00 0.49 -0.13 0.00 0.00 178.44 180.43 1t33 n PHE 85 N -3.66 0.00 -1.21 1.25 3.72 -0.48 -3.54 117.46 113.54 1t33 n PHE 85 Ca -0.16 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 1t33 n PHE 85 Cb 1.09 -0.13 0.07 0.00 -0.94 0.00 0.00 39.48 39.56 1t33 n PHE 85 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1t33 n SER 86 N -1.13 7.34 -3.97 4.37 3.41 -0.97 -4.86 113.62 117.81 1t33 n SER 86 Ca 0.15 -3.57 -0.16 0.00 -0.26 0.00 0.00 58.87 55.03 1t33 n SER 86 Cb 0.13 -1.01 -0.14 0.00 -0.26 0.00 0.00 64.21 62.93 1t33 n SER 86 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1t33 s GLN 87 N -3.22 0.47 0.17 4.33 -0.21 -1.23 -5.05 119.66 114.91 1t33 s GLN 87 Ca 0.55 -0.22 -0.24 0.00 0.02 0.00 0.00 55.36 55.46 1t33 s GLN 87 Cb 0.43 -0.45 0.05 0.00 1.00 0.00 0.00 33.01 34.04 1t33 s GLN 87 CO -0.02 0.12 1.58 -1.35 -2.12 0.00 0.00 175.29 173.51 1t33 h PRO 88 N 5.97 -0.24 -3.03 2.91 0.11 -1.92 -3.31 132.00 132.49 1t33 h PRO 88 Ca -0.28 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.24 1t33 h PRO 88 Cb 1.19 0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.95 1t33 h PRO 88 CO 0.50 -0.16 -0.75 0.00 -0.21 0.00 0.00 178.00 177.38 1t33 s ALA 89 N -5.91 2.03 0.91 -0.75 0.00 -1.26 -5.13 121.76 111.65 1t33 s ALA 89 Ca -0.14 -2.46 -0.14 0.00 0.00 0.00 0.00 51.96 49.21 1t33 s ALA 89 Cb 0.13 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 1t33 s ALA 89 CO 0.67 -2.03 0.28 -2.30 0.00 0.00 0.00 175.76 172.38 1t33 n PRO 90 N 3.70 -0.14 -2.53 0.00 -0.02 -1.25 -4.88 135.00 129.88 1t33 n PRO 90 Ca 0.08 -0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 1t33 n PRO 90 Cb 0.35 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1t33 n PRO 90 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1t33 s ASP 91 N -1.78 6.76 0.46 2.55 3.68 -1.26 -4.91 116.67 122.16 1t33 s ASP 91 Ca 0.56 1.04 0.20 0.00 2.13 0.00 0.00 52.55 56.48 1t33 s ASP 91 Cb -0.24 -2.54 1.20 0.00 -1.45 0.00 0.00 42.92 39.89 1t33 s ASP 91 CO 0.68 -1.04 1.92 -0.09 0.13 0.00 0.00 175.17 176.77 1t33 h ARG 92 N 8.86 0.25 0.09 4.34 2.43 -1.96 -0.38 114.38 128.02 1t33 h ARG 92 Ca -0.24 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 58.66 1t33 h ARG 92 Cb 1.08 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1t33 h ARG 92 CO 1.05 0.17 -1.16 -0.44 -1.51 0.00 0.00 179.97 178.07 1t33 h ASP 93 N 0.26 0.37 0.64 -3.80 3.32 -1.99 -2.77 116.42 112.44 1t33 h ASP 93 Ca 0.37 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1t33 h ASP 93 Cb 1.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1t33 h ASP 93 CO -0.09 1.28 -0.66 0.00 -1.72 0.00 0.00 179.24 178.04 1t33 h ALA 94 N 0.67 0.89 0.23 3.45 0.00 -1.69 -1.49 119.26 121.33 1t33 h ALA 94 Ca -0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1t33 h ALA 94 Cb 1.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1t33 h ALA 94 CO 0.19 0.82 -0.11 0.82 0.00 0.00 0.00 179.25 180.97 1t33 h ILE 95 N 0.02 0.83 -0.89 0.00 2.04 -1.11 -1.32 117.51 117.07 1t33 h ILE 95 Ca -0.01 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1t33 h ILE 95 Cb 1.18 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1t33 h ILE 95 CO 0.09 0.09 0.56 -0.09 0.00 0.00 0.00 178.15 178.80 1t33 h ARG 96 N -0.53 0.99 -0.48 2.37 2.43 -1.42 -1.60 114.38 116.13 1t33 h ARG 96 Ca -0.03 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1t33 h ARG 96 Cb 0.39 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1t33 h ARG 96 CO 0.05 0.65 0.23 1.49 -1.51 0.00 0.00 179.97 180.89 1t33 h GLU 97 N 1.02 0.45 -0.71 0.20 4.57 -1.06 -1.38 114.58 117.66 1t33 h GLU 97 Ca 0.39 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1t33 h GLU 97 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1t33 h GLU 97 CO -0.17 0.30 0.21 1.25 -1.18 0.00 0.00 179.01 179.42 1t33 h LEU 98 N 0.46 1.04 -0.34 1.64 5.85 -0.45 0.83 115.31 124.34 1t33 h LEU 98 Ca 0.22 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1t33 h LEU 98 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1t33 h LEU 98 CO -0.16 0.97 0.14 0.40 -0.34 0.00 0.00 178.44 179.45 1t33 h ILE 99 N 1.06 1.18 -0.21 4.05 2.04 -0.89 -1.75 117.51 122.99 1t33 h ILE 99 Ca 0.23 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1t33 h ILE 99 Cb 0.31 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1t33 h ILE 99 CO -0.01 0.19 -0.09 -0.07 0.00 0.00 0.00 178.15 178.17 1t33 h LEU 100 N 0.40 0.31 -0.68 1.44 3.38 -0.88 -2.20 115.31 117.08 1t33 h LEU 100 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1t33 h LEU 100 Cb 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1t33 h LEU 100 CO -0.01 0.44 -0.02 0.25 0.09 0.00 0.00 178.44 179.19 1t33 h LEU 101 N 0.32 0.99 -0.09 1.67 5.85 -0.35 0.54 115.31 124.23 1t33 h LEU 101 Ca 0.07 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1t33 h LEU 101 Cb 0.36 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1t33 h LEU 101 CO 0.02 1.05 0.02 0.00 -0.34 0.00 0.00 178.44 179.19 1t33 h ALA 102 N 1.05 0.12 -0.43 1.25 0.00 -0.96 -1.83 119.26 118.45 1t33 h ALA 102 Ca 0.16 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1t33 h ALA 102 Cb 0.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1t33 h ALA 102 CO 0.03 -0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.23 1t33 h LYS 104 N 0.38 0.87 -0.22 0.00 3.64 -0.78 0.46 116.57 120.92 1t33 h LYS 104 Ca 0.19 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1t33 h LYS 104 Cb 0.14 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1t33 h LYS 104 CO -0.17 0.57 -0.37 -0.91 -2.27 0.00 0.00 179.45 176.30 1t33 h ASN 105 N 0.89 0.50 -0.19 4.20 4.21 -0.84 -0.64 115.58 123.72 1t33 h ASN 105 Ca 0.28 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 1t33 h ASN 105 Cb -0.02 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 1t33 h ASN 105 CO -0.09 0.83 0.03 0.24 -1.29 0.00 0.00 177.43 177.15 1t33 h MET 106 N 0.41 0.31 -0.25 0.81 2.86 -0.38 -2.39 114.93 116.29 1t33 h MET 106 Ca 0.04 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1t33 h MET 106 Cb 0.84 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1t33 h MET 106 CO 0.07 0.46 0.14 0.82 1.06 0.00 0.00 176.91 179.47 1t33 h ILE 107 N 0.11 1.10 0.00 -1.22 2.04 -0.76 0.34 117.51 119.12 1t33 h ILE 107 Ca 0.06 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1t33 h ILE 107 Cb 0.30 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1t33 h ILE 107 CO 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 178.15 178.15 1t33 h MET 108 N 0.30 0.00 0.18 2.37 -0.00 -1.12 -2.05 114.93 114.62 1t33 h MET 108 Ca 0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.52 1t33 h MET 108 Cb 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.67 1t33 h MET 108 CO -0.02 0.10 -1.16 1.25 -0.00 0.00 0.00 176.91 177.09 1t33 h LEU 109 N 0.00 0.70 0.00 -0.10 5.85 -0.91 -3.27 115.31 117.58 1t33 h LEU 109 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1t33 h LEU 109 Cb 0.46 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1t33 h LEU 109 CO 0.01 1.56 0.00 0.18 -0.34 0.00 0.00 178.44 179.85 1t33 n LEU 110 N -3.91 0.00 -0.07 2.25 7.99 0.11 -3.07 117.00 120.30 1t33 n LEU 110 Ca -0.15 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 55.91 1t33 n LEU 110 Cb 0.96 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 44.37 1t33 n LEU 110 CO 0.55 0.00 0.55 0.35 -1.51 0.00 0.00 177.39 177.33 1t33 n THR 111 N -0.69 1.55 -5.25 -5.08 -2.24 -0.82 -4.55 114.28 97.22 1t33 n THR 111 Ca 0.08 -1.77 -0.32 0.00 -2.27 0.00 0.00 64.05 59.78 1t33 n THR 111 Cb 0.04 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.15 1t33 n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t33 s GLN 112 N -2.15 2.59 0.32 -0.78 -2.07 -1.17 -4.58 119.66 111.82 1t33 s GLN 112 Ca 0.20 -0.90 0.05 0.00 -1.82 0.00 0.00 55.36 52.90 1t33 s GLN 112 Cb 0.17 -2.18 0.69 0.00 -1.09 0.00 0.00 33.01 30.60 1t33 s GLN 112 CO 0.02 0.38 1.86 0.93 -1.32 0.00 0.00 175.29 177.16 1t33 h GLU 113 N 6.09 0.81 0.00 9.60 4.39 -1.94 -2.70 114.58 130.82 1t33 h GLU 113 Ca -0.31 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1t33 h GLU 113 Cb 1.18 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1t33 h GLU 113 CO 0.47 0.54 0.00 -0.40 -1.16 0.00 0.00 179.01 178.46 1t33 n ASP 114 N -4.57 0.00 -0.33 1.42 5.75 -1.26 -1.64 116.55 115.92 1t33 n ASP 114 Ca 0.17 0.38 0.04 0.00 -0.01 0.00 0.00 54.79 55.38 1t33 n ASP 114 Cb 0.39 -0.40 0.04 0.00 -1.03 0.00 0.00 41.12 40.12 1t33 n ASP 114 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1t33 n THR 115 N -1.40 0.07 -0.17 2.12 -2.24 -1.02 -4.69 114.28 106.96 1t33 n THR 115 Ca 0.01 -0.54 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 1t33 n THR 115 Cb 0.03 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.43 1t33 n THR 115 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t33 h VAL 116 N 1.55 0.94 -0.27 2.28 2.07 -1.42 -1.86 116.25 119.53 1t33 h VAL 116 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1t33 h VAL 116 Cb 0.35 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1t33 h VAL 116 CO 0.00 0.09 0.11 0.78 0.02 0.00 0.00 177.57 178.57 1t33 h ASN 117 N 0.48 0.33 -0.58 0.57 2.35 -1.84 0.51 115.58 117.40 1t33 h ASN 117 Ca 0.23 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1t33 h ASN 117 Cb 0.15 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1t33 h ASN 117 CO -0.17 0.30 0.13 0.25 -1.65 0.00 0.00 177.43 176.30 1t33 h LEU 118 N 0.38 0.89 -0.60 1.61 6.46 -1.68 -1.03 115.31 121.34 1t33 h LEU 118 Ca 0.10 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.54 1t33 h LEU 118 Cb 0.07 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 1t33 h LEU 118 CO -0.01 0.89 0.06 0.28 -0.62 0.00 0.00 178.44 179.05 1t33 h SER 119 N 0.84 0.99 -0.30 1.25 0.02 -0.36 -1.66 113.55 114.33 1t33 h SER 119 Ca 0.18 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1t33 h SER 119 Cb 0.36 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1t33 h SER 119 CO 0.00 1.02 0.12 0.11 -1.14 0.00 0.00 176.83 176.95 1t33 h LYS 120 N 0.92 0.26 -0.13 3.45 1.57 -0.66 0.29 116.57 122.28 1t33 h LYS 120 Ca 0.18 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1t33 h LYS 120 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1t33 h LYS 120 CO 0.02 0.17 0.07 0.35 -0.57 0.00 0.00 179.45 179.49 1t33 h PHE 121 N 0.27 0.13 -0.57 -1.35 3.04 -1.01 -2.37 116.94 115.07 1t33 h PHE 121 Ca 0.13 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 1t33 h PHE 121 Cb 0.07 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1t33 h PHE 121 CO -0.11 0.08 0.01 0.82 -2.02 0.00 0.00 178.31 177.08 1t33 h ILE 122 N 0.15 1.26 -0.64 1.41 1.08 -1.14 -2.79 117.51 116.85 1t33 h ILE 122 Ca 0.05 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.41 1t33 h ILE 122 Cb 0.00 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1t33 h ILE 122 CO -0.03 0.40 0.42 0.28 -0.69 0.00 0.00 178.15 178.53 1t33 h SER 123 N 0.90 0.73 -0.04 1.72 0.02 -0.82 0.19 113.55 116.25 1t33 h SER 123 Ca 0.16 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1t33 h SER 123 Cb 0.54 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1t33 h SER 123 CO 0.03 0.53 0.02 0.03 -1.14 0.00 0.00 176.83 176.30 1t33 h ARG 124 N 0.87 0.06 -0.30 3.45 3.08 -1.39 -2.93 114.38 117.21 1t33 h ARG 124 Ca 0.23 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1t33 h ARG 124 Cb -0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1t33 h ARG 124 CO -0.05 0.11 0.14 0.93 -1.07 0.00 0.00 179.97 180.03 1t33 h GLU 125 N -0.01 0.41 -0.19 0.04 4.39 -1.17 -0.03 114.58 118.01 1t33 h GLU 125 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1t33 h GLU 125 Cb 0.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1t33 h GLU 125 CO -0.00 0.33 0.02 0.37 -1.16 0.00 0.00 179.01 178.57 1t33 h GLN 126 N 0.42 0.27 0.00 2.33 5.75 -0.44 0.86 115.11 124.29 1t33 h GLN 126 Ca 0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1t33 h GLN 126 Cb 0.06 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1t33 h GLN 126 CO -0.01 0.28 -1.23 1.28 -2.65 0.00 0.00 178.83 176.50 1t33 n LEU 127 N -4.40 0.47 -3.05 -2.39 4.77 -0.92 -4.65 117.00 106.83 1t33 n LEU 127 Ca -0.00 -0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 55.51 1t33 n LEU 127 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1t33 n LEU 127 CO 0.36 0.12 -0.11 -0.24 -1.33 0.00 0.00 177.39 176.18 1t33 n SER 128 N -1.70 -0.65 -4.68 -1.43 2.88 -0.07 -5.12 113.62 102.84 1t33 n SER 128 Ca 0.01 -2.98 -0.41 0.00 -1.33 0.00 0.00 58.87 54.15 1t33 n SER 128 Cb 0.35 0.17 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 1t33 n SER 128 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1t33 n PRO 129 N 1.17 1.77 -1.83 -1.46 -0.02 0.28 -4.43 135.00 130.47 1t33 n PRO 129 Ca 0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1t33 n PRO 129 Cb 0.59 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1t33 n PRO 129 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1t33 n THR 130 N -0.36 0.00 0.22 3.45 -2.24 -1.26 -4.99 114.28 109.10 1t33 n THR 130 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1t33 n THR 130 Cb 0.40 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.24 1t33 n THR 130 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1t33 h SER 131 N 0.00 0.06 -0.40 3.42 4.64 -2.00 -2.53 113.55 116.74 1t33 h SER 131 Ca 0.00 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1t33 h SER 131 Cb 0.00 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1t33 h SER 131 CO 0.00 0.05 0.08 0.00 -0.87 0.00 0.00 176.83 176.10 1t33 h ALA 132 N 1.96 0.43 -0.31 5.18 0.00 -1.95 -1.49 119.26 123.09 1t33 h ALA 132 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1t33 h ALA 132 Cb 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t33 h ALA 132 CO -0.00 -0.32 0.10 -0.92 0.00 0.00 0.00 179.25 178.11 1t33 h TYR 133 N 0.21 0.48 -0.88 0.00 5.03 -1.81 -2.78 116.97 117.24 1t33 h TYR 133 Ca 0.19 -0.05 0.15 0.00 2.58 0.00 0.00 58.73 61.61 1t33 h TYR 133 Cb 0.23 -0.14 -0.10 0.00 1.55 0.00 0.00 36.73 38.27 1t33 h TYR 133 CO -0.20 0.49 0.47 0.37 -1.32 0.00 0.00 178.16 177.97 1t33 h GLN 134 N 0.34 0.64 -0.08 1.82 4.15 -1.40 0.36 115.11 120.93 1t33 h GLN 134 Ca 0.10 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1t33 h GLN 134 Cb 0.23 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1t33 h GLN 134 CO -0.00 0.42 0.05 1.25 -1.93 0.00 0.00 178.83 178.61 1t33 h LEU 135 N 0.66 0.09 -0.71 -2.39 6.46 -1.05 -0.22 115.31 118.14 1t33 h LEU 135 Ca 0.48 -0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 58.07 1t33 h LEU 135 Cb 0.68 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1t33 h LEU 135 CO -0.36 0.10 -0.47 0.58 -0.62 0.00 0.00 178.44 177.67 1t33 h VAL 136 N 0.07 1.32 -0.27 1.05 2.07 -1.08 -2.31 116.25 117.11 1t33 h VAL 136 Ca 0.03 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1t33 h VAL 136 Cb 0.02 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1t33 h VAL 136 CO -0.01 0.51 0.06 -0.74 0.02 0.00 0.00 177.57 177.42 1t33 h HIS 137 N 0.34 0.46 -0.22 1.57 -0.00 -0.07 -0.98 115.15 116.25 1t33 h HIS 137 Ca 0.02 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.29 1t33 h HIS 137 Cb 0.95 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 1t33 h HIS 137 CO 0.03 0.52 -0.03 0.93 -0.00 0.00 0.00 177.93 179.38 1t33 h GLU 138 N 0.27 0.41 -0.02 5.26 5.08 -1.00 0.33 114.58 124.91 1t33 h GLU 138 Ca 0.08 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1t33 h GLU 138 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1t33 h GLU 138 CO 0.00 0.63 -0.75 1.96 -1.00 0.00 0.00 179.01 179.85 1t33 h GLN 139 N 0.15 0.18 0.00 2.33 4.20 -1.43 -3.42 115.11 117.12 1t33 h GLN 139 Ca 0.06 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1t33 h GLN 139 Cb 0.46 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1t33 h GLN 139 CO 0.02 0.84 -0.07 0.28 -0.67 0.00 0.00 178.83 179.23 1t33 n VAL 140 N -3.74 0.29 -0.35 -0.54 0.31 -0.41 -4.78 118.33 109.09 1t33 n VAL 140 Ca -0.03 0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1t33 n VAL 140 Cb 0.72 -0.82 0.12 0.00 -0.91 0.00 0.00 33.84 32.94 1t33 n VAL 140 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1t33 h ILE 141 N 0.00 1.20 -0.12 2.52 6.09 -1.43 -0.44 117.51 125.33 1t33 h ILE 141 Ca 0.00 -0.43 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 1t33 h ILE 141 Cb 0.07 -0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.21 1t33 h ILE 141 CO 0.00 0.23 0.03 -0.78 -3.07 0.00 0.00 178.15 174.55 1t33 h ASP 142 N 1.24 0.19 0.10 2.19 3.58 -0.57 -0.46 116.42 122.68 1t33 h ASP 142 Ca 0.37 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1t33 h ASP 142 Cb -0.06 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1t33 h ASP 142 CO -0.10 0.38 -0.10 -0.65 -2.88 0.00 0.00 179.24 175.89 1t33 h PRO 143 N -0.02 -0.22 -0.70 0.28 0.11 -1.65 -1.21 132.00 128.60 1t33 h PRO 143 Ca 0.04 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 1t33 h PRO 143 Cb 0.27 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1t33 h PRO 143 CO 0.00 -0.14 0.17 1.25 -0.21 0.00 0.00 178.00 179.06 1t33 h LEU 144 N -0.22 1.05 -0.64 2.35 5.85 -1.09 -1.07 115.31 121.53 1t33 h LEU 144 Ca 0.01 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1t33 h LEU 144 Cb 0.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1t33 h LEU 144 CO -0.03 1.01 0.11 -0.74 -0.34 0.00 0.00 178.44 178.44 1t33 h HIS 145 N 1.05 1.12 -0.61 1.25 2.76 -0.98 -1.45 115.15 118.30 1t33 h HIS 145 Ca 0.22 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 1t33 h HIS 145 Cb 0.37 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1t33 h HIS 145 CO 0.03 0.95 -0.00 1.15 -1.30 0.00 0.00 177.93 178.75 1t33 h THR 146 N 0.97 1.27 -0.04 6.26 2.02 -1.02 -1.22 112.91 121.15 1t33 h THR 146 Ca 0.20 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1t33 h THR 146 Cb 0.43 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1t33 h THR 146 CO 0.01 0.42 0.02 0.45 0.37 0.00 0.00 175.52 176.80 1t33 h HIS 147 N 0.98 0.05 -0.69 3.16 -0.00 -0.88 0.54 115.15 118.31 1t33 h HIS 147 Ca 0.17 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1t33 h HIS 147 Cb 0.57 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 1t33 h HIS 147 CO 0.04 0.08 0.45 -0.07 -0.00 0.00 0.00 177.93 178.43 1t33 h LEU 148 N 0.01 0.77 -0.81 2.43 3.38 -1.15 0.35 115.31 120.30 1t33 h LEU 148 Ca 0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1t33 h LEU 148 Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1t33 h LEU 148 CO -0.00 0.55 0.53 0.74 0.09 0.00 0.00 178.44 180.35 1t33 h THR 149 N 0.92 1.18 -0.15 0.22 2.02 -1.00 0.25 112.91 116.36 1t33 h THR 149 Ca 0.26 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1t33 h THR 149 Cb -0.08 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1t33 h THR 149 CO -0.07 0.20 0.08 0.03 0.37 0.00 0.00 175.52 176.12 1t33 h ARG 150 N 1.07 0.21 -0.25 6.66 -0.00 0.40 -0.06 114.38 122.40 1t33 h ARG 150 Ca 0.30 -0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.76 1t33 h ARG 150 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.83 1t33 h ARG 150 CO -0.08 0.24 0.16 -0.07 0.00 0.00 0.00 179.97 180.22 1t33 h LEU 151 N 0.12 0.27 -1.01 3.04 3.38 0.26 0.13 115.31 121.49 1t33 h LEU 151 Ca 0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1t33 h LEU 151 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1t33 h LEU 151 CO -0.01 0.19 0.23 0.58 0.09 0.00 0.00 178.44 179.53 1t33 h VAL 152 N 0.32 1.23 -0.31 1.22 2.07 -0.41 -1.21 116.25 119.17 1t33 h VAL 152 Ca 0.09 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1t33 h VAL 152 Cb -0.03 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1t33 h VAL 152 CO -0.03 0.29 0.02 0.00 0.02 0.00 0.00 177.57 177.87 1t33 h ALA 153 N 1.33 0.41 -0.67 1.67 0.00 -0.52 -2.11 119.26 119.38 1t33 h ALA 153 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t33 h ALA 153 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1t33 h ALA 153 CO -0.02 0.14 0.43 0.00 0.00 0.00 0.00 179.25 179.81 1t33 h ALA 154 N 0.85 0.85 -0.07 0.00 0.00 -0.39 0.18 119.26 120.68 1t33 h ALA 154 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1t33 h ALA 154 Cb 0.41 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1t33 h ALA 154 CO 0.01 0.29 0.01 -0.92 0.00 0.00 0.00 179.25 178.65 1t33 h TYR 155 N 0.91 0.13 0.00 0.00 3.20 -1.11 -3.10 116.97 116.99 1t33 h TYR 155 Ca 0.24 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1t33 h TYR 155 Cb -0.08 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1t33 h TYR 155 CO -0.02 0.34 0.00 0.25 -1.64 0.00 0.00 178.16 177.08 1t33 n THR 156 N -4.89 0.61 -2.39 1.81 -2.24 -0.80 -4.91 114.28 101.46 1t33 n THR 156 Ca -0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1t33 n THR 156 Cb 0.16 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1t33 n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t33 n GLY 157 N 1.25 0.91 3.77 3.38 0.00 0.27 -4.40 105.19 110.37 1t33 n GLY 157 Ca 0.05 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1t33 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t33 s ASP 159 N -3.96 6.70 0.58 0.00 -1.08 -1.26 -4.46 116.67 113.19 1t33 s ASP 159 Ca 0.26 0.74 0.32 0.00 -0.52 0.00 0.00 52.55 53.35 1t33 s ASP 159 Cb 0.02 -2.41 1.80 0.00 -1.46 0.00 0.00 42.92 40.87 1t33 s ASP 159 CO 0.14 -0.59 2.21 0.00 0.52 0.00 0.00 175.17 177.45 1t33 h ALA 160 N 8.03 1.33 -0.00 3.66 0.00 -1.90 -2.12 119.26 128.25 1t33 h ALA 160 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1t33 h ALA 160 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1t33 h ALA 160 CO 0.88 0.05 -0.35 0.09 0.00 0.00 0.00 179.25 179.92 1t33 n ASN 161 N -3.61 0.73 -4.72 0.00 5.03 -1.26 -4.64 115.26 106.79 1t33 n ASN 161 Ca -0.02 -0.55 -0.42 0.00 0.87 0.00 0.00 54.58 54.46 1t33 n ASN 161 Cb 0.14 0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 39.02 1t33 n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1t33 s ASP 162 N -2.73 6.99 0.27 6.41 -1.08 -0.80 -4.92 116.67 120.82 1t33 s ASP 162 Ca 0.18 2.20 0.00 0.00 -0.52 0.00 0.00 52.55 54.42 1t33 s ASP 162 Cb 0.18 -2.59 0.60 0.00 -1.46 0.00 0.00 42.92 39.65 1t33 s ASP 162 CO 0.60 -0.50 1.73 0.74 0.52 0.00 0.00 175.17 178.25 1t33 h THR 163 N 4.16 0.60 0.00 1.71 2.02 -1.89 -0.09 112.91 119.41 1t33 h THR 163 Ca -0.43 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1t33 h THR 163 Cb 1.21 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1t33 h THR 163 CO 0.80 0.09 -0.02 0.03 0.37 0.00 0.00 175.52 176.79 1t33 h ARG 164 N 0.48 0.00 0.01 6.66 3.08 -1.93 -0.93 114.38 121.75 1t33 h ARG 164 Ca 0.49 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.35 1t33 h ARG 164 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1t33 h ARG 164 CO -0.45 0.02 -0.90 1.98 -1.07 0.00 0.00 179.97 179.56 1t33 h MET 165 N 0.00 0.06 -0.22 0.04 4.05 -1.28 -1.42 114.93 116.16 1t33 h MET 165 Ca -0.00 -0.08 -0.18 0.00 -0.28 0.00 0.00 59.70 59.17 1t33 h MET 165 Cb 0.04 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1t33 h MET 165 CO 0.00 0.91 -0.57 0.82 0.23 0.00 0.00 176.91 178.31 1t33 h ILE 166 N 0.03 1.30 -0.41 1.77 2.04 -1.02 -2.44 117.51 118.77 1t33 h ILE 166 Ca -0.02 -1.79 -0.13 0.00 1.00 0.00 0.00 64.86 63.92 1t33 h ILE 166 Cb 1.56 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1t33 h ILE 166 CO 0.12 0.57 -0.23 -0.07 0.00 0.00 0.00 178.15 178.54 1t33 h LEU 167 N 0.53 0.92 -0.09 1.44 3.38 -1.13 -1.75 115.31 118.61 1t33 h LEU 167 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1t33 h LEU 167 Cb 1.15 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1t33 h LEU 167 CO 0.12 1.13 0.06 0.45 0.09 0.00 0.00 178.44 180.29 1t33 h HIS 168 N 0.71 0.12 -0.53 1.13 3.86 -1.23 -1.35 115.15 117.86 1t33 h HIS 168 Ca 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1t33 h HIS 168 Cb 0.80 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1t33 h HIS 168 CO 0.06 0.09 0.27 1.15 0.86 0.00 0.00 177.93 180.36 1t33 h THR 169 N 0.12 1.19 -0.76 2.45 2.02 -1.40 -1.73 112.91 114.79 1t33 h THR 169 Ca 0.03 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1t33 h THR 169 Cb -0.00 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1t33 h THR 169 CO -0.01 0.21 0.28 -0.74 0.37 0.00 0.00 175.52 175.63 1t33 h HIS 170 N 0.71 1.19 -0.51 3.16 6.17 -1.21 -1.57 115.15 123.10 1t33 h HIS 170 Ca 0.19 -0.10 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 1t33 h HIS 170 Cb 0.08 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 29.64 1t33 h HIS 170 CO -0.01 0.92 0.24 0.00 0.71 0.00 0.00 177.93 179.79 1t33 h ALA 171 N 1.14 0.65 0.00 5.26 0.00 -0.94 -2.23 119.26 123.15 1t33 h ALA 171 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t33 h ALA 171 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t33 h ALA 171 CO -0.02 0.21 0.00 1.37 0.00 0.00 0.00 179.25 180.82 1t33 h LEU 172 N 0.67 0.00 -0.58 0.00 8.10 -1.06 -2.46 115.31 119.99 1t33 h LEU 172 Ca 0.17 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.09 1t33 h LEU 172 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.33 1t33 h LEU 172 CO -0.02 0.00 -0.34 -0.07 -4.11 0.00 0.00 178.44 173.90 1t33 h LEU 173 N 0.00 0.00 -1.61 0.17 3.38 -0.72 -2.86 115.31 113.68 1t33 h LEU 173 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1t33 h LEU 173 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1t33 h LEU 173 CO 0.00 0.34 -0.22 1.23 0.09 0.00 0.00 178.44 179.89 1t33 h GLY 174 N 2.76 0.00 0.83 0.83 0.00 -0.93 -2.25 103.07 104.30 1t33 h GLY 174 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1t33 h GLY 174 CO 0.04 0.00 0.55 0.83 0.00 0.00 0.00 176.54 177.97 1t33 h GLU 175 N 0.00 1.02 0.16 4.80 4.39 -1.57 0.46 114.58 123.84 1t33 h GLU 175 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1t33 h GLU 175 Cb 0.43 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1t33 h GLU 175 CO 0.03 0.67 -0.07 0.28 -1.16 0.00 0.00 179.01 178.76 1t33 h VAL 176 N 1.05 0.87 0.00 3.13 2.07 -1.57 -3.30 116.25 118.51 1t33 h VAL 176 Ca 0.36 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1t33 h VAL 176 Cb 0.06 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1t33 h VAL 176 CO -0.13 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 1t33 h LEU 177 N -0.85 0.00 -1.20 2.57 4.07 -1.26 -2.86 115.31 115.79 1t33 h LEU 177 Ca -0.02 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.05 1t33 h LEU 177 Cb 0.53 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.20 1t33 h LEU 177 CO 0.04 0.00 0.58 0.00 -1.08 0.00 0.00 178.44 177.98 1t33 h ALA 178 N 2.00 1.67 0.00 1.53 0.00 -0.98 0.10 119.26 123.58 1t33 h ALA 178 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1t33 h ALA 178 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1t33 h ALA 178 CO 0.00 0.13 -0.09 0.74 0.00 0.00 0.00 179.25 180.03 1t33 h PHE 179 N 0.85 0.00 0.00 0.00 0.04 -1.71 0.31 116.94 116.43 1t33 h PHE 179 Ca 0.43 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.80 1t33 h PHE 179 Cb 0.48 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 1t33 h PHE 179 CO -0.00 0.09 -2.42 -2.13 -0.60 0.00 0.00 178.31 173.25 1t33 n ARG 180 N -3.29 0.59 0.20 1.51 3.00 -0.86 -3.45 116.66 114.36 1t33 n ARG 180 Ca -0.00 0.18 0.07 0.00 -0.00 0.00 0.00 57.85 58.09 1t33 n ARG 180 Cb 0.30 -1.47 0.40 0.00 0.00 0.00 0.00 32.46 31.70 1t33 n ARG 180 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1t33 h LEU 181 N -0.34 0.00 -3.55 6.15 3.38 -1.02 -2.77 115.31 117.15 1t33 h LEU 181 Ca -0.59 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 56.99 1t33 h LEU 181 Cb 1.75 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.23 1t33 h LEU 181 CO -0.20 0.33 -0.45 0.61 0.09 0.00 0.00 178.44 178.81 1t33 n GLY 182 N 0.01 5.84 0.46 0.83 0.00 0.11 -4.88 105.19 107.56 1t33 n GLY 182 Ca -0.01 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 1t33 n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1t33 h LYS 183 N 1.72 -0.56 -0.71 1.61 3.64 -1.52 -1.81 116.57 118.94 1t33 h LYS 183 Ca 0.29 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1t33 h LYS 183 Cb 1.38 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1t33 h LYS 183 CO 0.63 -0.37 0.47 1.49 -2.27 0.00 0.00 179.45 179.39 1t33 h GLU 184 N -0.58 0.94 -0.35 1.90 4.57 -1.89 -0.79 114.58 118.38 1t33 h GLU 184 Ca 0.04 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1t33 h GLU 184 Cb 0.68 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1t33 h GLU 184 CO -0.42 0.63 -0.17 0.00 -1.18 0.00 0.00 179.01 177.86 1t33 h THR 185 N 0.96 1.26 -0.03 0.32 1.03 -1.91 -1.44 112.91 113.10 1t33 h THR 185 Ca 0.26 -1.20 -0.21 0.00 -0.01 0.00 0.00 66.41 65.25 1t33 h THR 185 Cb -0.10 1.17 -0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1t33 h THR 185 CO -0.06 0.40 -0.86 -0.29 -0.01 0.00 0.00 175.52 174.70 1t33 h ILE 186 N 0.58 1.40 -0.27 0.00 6.09 -1.03 -0.83 117.51 123.44 1t33 h ILE 186 Ca 0.09 -2.34 -0.02 0.00 -1.37 0.00 0.00 64.86 61.22 1t33 h ILE 186 Cb 0.62 2.31 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 1t33 h ILE 186 CO 0.04 0.70 0.08 -0.07 -3.07 0.00 0.00 178.15 175.84 1t33 h LEU 187 N 0.25 0.39 -0.42 2.19 3.38 -1.05 -0.91 115.31 119.15 1t33 h LEU 187 Ca -0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1t33 h LEU 187 Cb 1.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1t33 h LEU 187 CO 0.15 0.49 0.16 -0.07 0.09 0.00 0.00 178.44 179.26 1t33 h LEU 188 N 0.27 0.58 -0.92 1.67 3.38 -1.26 0.12 115.31 119.15 1t33 h LEU 188 Ca 0.09 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1t33 h LEU 188 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1t33 h LEU 188 CO -0.00 0.60 0.15 0.03 0.09 0.00 0.00 178.44 179.31 1t33 h ARG 189 N 0.53 0.95 0.00 1.13 2.47 -1.03 -3.02 114.38 115.41 1t33 h ARG 189 Ca 0.14 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1t33 h ARG 189 Cb 0.20 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1t33 h ARG 189 CO -0.01 0.84 -0.73 1.79 0.56 0.00 0.00 179.97 182.42 1t33 h THR 190 N 0.91 0.43 0.00 2.04 1.35 -1.07 -3.48 112.91 113.09 1t33 h THR 190 Ca 0.20 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1t33 h THR 190 Cb 0.32 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1t33 h THR 190 CO -0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1t33 n GLY 191 N 1.23 0.75 3.72 5.82 0.00 0.36 -5.03 105.19 112.04 1t33 n GLY 191 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1t33 n GLY 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t33 s TRP 192 N -2.90 3.38 0.30 1.61 0.51 -0.94 -4.93 118.94 115.97 1t33 s TRP 192 Ca 0.00 1.25 0.08 0.00 -2.12 0.00 0.00 56.10 55.30 1t33 s TRP 192 Cb 0.00 -3.50 0.49 0.00 -0.81 0.00 0.00 33.47 29.65 1t33 s TRP 192 CO 0.00 -1.57 1.71 -1.00 -0.51 0.00 0.00 176.95 175.58 1t33 h PRO 193 N 6.26 0.19 -2.09 4.98 0.13 -1.96 -3.42 132.00 136.08 1t33 h PRO 193 Ca -0.43 -0.09 0.23 0.00 -0.87 0.00 0.00 66.00 64.85 1t33 h PRO 193 Cb 1.21 -0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1t33 h PRO 193 CO 0.80 0.58 0.64 1.14 -0.23 0.00 0.00 178.00 180.94 1t33 s GLN 194 N -4.11 0.92 0.47 0.86 -2.07 -1.26 -5.08 119.66 109.38 1t33 s GLN 194 Ca -0.04 -0.54 -0.10 0.00 -1.82 0.00 0.00 55.36 52.86 1t33 s GLN 194 Cb 0.13 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.29 1t33 s GLN 194 CO 0.76 -0.42 0.84 -0.06 -1.32 0.00 0.00 175.29 175.09 1t33 s PHE 195 N -2.69 3.51 0.35 9.60 0.08 -1.26 -5.03 117.98 122.54 1t33 s PHE 195 Ca 0.16 1.09 -0.11 0.00 0.12 0.00 0.00 56.93 58.19 1t33 s PHE 195 Cb 0.00 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1t33 s PHE 195 CO 0.01 -0.26 0.65 0.16 -0.10 0.00 0.00 175.22 175.67 1t33 s ASP 196 N -3.49 0.28 0.22 1.36 1.47 -1.26 -4.99 116.67 110.26 1t33 s ASP 196 Ca 0.52 -1.19 -0.07 0.00 1.18 0.00 0.00 52.55 52.99 1t33 s ASP 196 Cb -0.10 0.75 0.34 0.00 -0.34 0.00 0.00 42.92 43.57 1t33 s ASP 196 CO 0.37 -1.48 1.75 -0.08 0.68 0.00 0.00 175.17 176.42 1t33 h GLU 197 N 2.06 0.48 -0.70 2.11 4.57 -1.98 -0.80 114.58 120.32 1t33 h GLU 197 Ca -0.29 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 1t33 h GLU 197 Cb 1.25 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 1t33 h GLU 197 CO 0.38 0.32 0.29 0.93 -1.18 0.00 0.00 179.01 179.74 1t33 h GLU 198 N 0.49 1.02 -0.05 1.92 5.08 -2.00 -1.51 114.58 119.54 1t33 h GLU 198 Ca 0.35 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 1t33 h GLU 198 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1t33 h GLU 198 CO -0.31 0.83 -0.62 0.87 -1.00 0.00 0.00 179.01 178.78 1t33 h LYS 199 N 1.00 0.17 -0.27 2.33 1.57 -1.80 -2.71 116.57 116.86 1t33 h LYS 199 Ca 0.24 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1t33 h LYS 199 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1t33 h LYS 199 CO -0.02 0.74 -0.09 0.00 -0.57 0.00 0.00 179.45 179.50 1t33 h ALA 200 N 1.23 1.33 -0.61 3.86 0.00 -0.55 -0.86 119.26 123.67 1t33 h ALA 200 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1t33 h ALA 200 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1t33 h ALA 200 CO 0.09 0.45 0.27 0.93 0.00 0.00 0.00 179.25 180.99 1t33 h GLU 201 N 0.42 0.89 -0.41 0.00 5.08 -0.98 -1.01 114.58 118.56 1t33 h GLU 201 Ca 0.08 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1t33 h GLU 201 Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1t33 h GLU 201 CO 0.02 0.74 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.52 1t33 h LEU 202 N 0.84 0.87 -0.68 1.33 3.38 -1.24 -1.19 115.31 118.62 1t33 h LEU 202 Ca 0.21 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1t33 h LEU 202 Cb 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1t33 h LEU 202 CO -0.02 1.07 0.33 0.40 0.09 0.00 0.00 178.44 180.31 1t33 h ILE 203 N 0.66 1.23 -0.58 1.22 2.04 -0.99 -1.13 117.51 119.96 1t33 h ILE 203 Ca 0.09 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1t33 h ILE 203 Cb 0.74 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1t33 h ILE 203 CO 0.06 0.26 0.09 0.22 0.00 0.00 0.00 178.15 178.78 1t33 h TYR 204 N 0.94 1.02 -0.74 1.37 3.20 -1.05 -0.79 116.97 120.91 1t33 h TYR 204 Ca 0.23 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1t33 h TYR 204 Cb 0.11 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1t33 h TYR 204 CO 0.00 0.89 0.49 0.37 -1.64 0.00 0.00 178.16 178.27 1t33 h GLN 205 N 0.85 0.98 0.17 1.82 4.15 -0.91 0.41 115.11 122.57 1t33 h GLN 205 Ca 0.17 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1t33 h GLN 205 Cb 0.42 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1t33 h GLN 205 CO 0.01 0.65 -0.08 1.15 -1.93 0.00 0.00 178.83 178.63 1t33 h THR 206 N 1.00 0.91 -0.57 2.39 2.02 -0.82 -1.77 112.91 116.07 1t33 h THR 206 Ca 0.27 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1t33 h THR 206 Cb -0.11 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1t33 h THR 206 CO -0.06 0.07 0.18 0.58 0.37 0.00 0.00 175.52 176.66 1t33 h VAL 207 N -0.37 1.24 -0.98 3.16 2.07 -0.94 -2.09 116.25 118.34 1t33 h VAL 207 Ca -0.02 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1t33 h VAL 207 Cb 0.29 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1t33 h VAL 207 CO 0.04 0.30 0.64 0.74 0.02 0.00 0.00 177.57 179.31 1t33 h THR 208 N 0.79 1.18 0.07 2.57 2.02 -0.15 0.12 112.91 119.51 1t33 h THR 208 Ca 0.18 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1t33 h THR 208 Cb 0.28 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1t33 h THR 208 CO -0.01 0.23 -0.03 0.00 0.37 0.00 0.00 175.52 176.08 1t33 h HIS 210 N -0.22 0.91 -0.72 0.00 3.86 -1.03 -2.32 115.15 115.63 1t33 h HIS 210 Ca -0.01 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1t33 h HIS 210 Cb 0.19 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1t33 h HIS 210 CO -0.03 0.79 0.41 0.82 0.86 0.00 0.00 177.93 180.77 1t33 h ILE 211 N 0.77 1.22 -0.19 2.45 2.04 -0.95 -1.04 117.51 121.81 1t33 h ILE 211 Ca 0.17 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1t33 h ILE 211 Cb 0.33 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1t33 h ILE 211 CO 0.00 0.24 0.09 0.44 0.00 0.00 0.00 178.15 178.92 1t33 h ASP 212 N 0.99 0.25 -0.73 1.72 3.45 -1.27 0.18 116.42 121.00 1t33 h ASP 212 Ca 0.26 -0.13 0.07 0.00 0.43 0.00 0.00 57.03 57.66 1t33 h ASP 212 Cb 0.02 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 38.67 1t33 h ASP 212 CO -0.04 0.30 0.41 -0.07 -1.57 0.00 0.00 179.24 178.27 1t33 h LEU 213 N 0.17 0.61 -0.16 1.55 3.38 -1.15 -1.28 115.31 118.43 1t33 h LEU 213 Ca 0.06 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1t33 h LEU 213 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1t33 h LEU 213 CO -0.01 0.38 -0.16 0.40 0.09 0.00 0.00 178.44 179.14 1t33 h ILE 214 N 0.74 1.34 -0.90 1.22 2.04 -0.86 -1.80 117.51 119.30 1t33 h ILE 214 Ca 0.34 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1t33 h ILE 214 Cb 0.24 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1t33 h ILE 214 CO -0.21 0.39 0.59 -0.07 0.00 0.00 0.00 178.15 178.86 1t33 h LEU 215 N 0.03 1.01 -0.61 1.44 3.38 -0.41 0.04 115.31 120.19 1t33 h LEU 215 Ca 0.02 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1t33 h LEU 215 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1t33 h LEU 215 CO 0.04 0.71 -0.54 0.45 0.09 0.00 0.00 178.44 179.20 1t33 h HIS 216 N 1.18 0.55 -0.00 1.13 3.86 -1.25 -2.49 115.15 118.14 1t33 h HIS 216 Ca 0.34 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.23 1t33 h HIS 216 Cb -0.08 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1t33 h HIS 216 CO -0.01 0.88 -0.64 0.78 0.86 0.00 0.00 177.93 179.80 1t33 h GLY 217 N 1.18 0.02 1.77 2.45 0.00 -0.75 -3.14 103.07 104.60 1t33 h GLY 217 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1t33 h GLY 217 CO 0.09 0.02 -0.23 1.41 0.00 0.00 0.00 176.54 177.84 1t33 h LEU 218 N 0.01 0.00 -0.95 3.11 3.38 -0.93 -3.24 115.31 116.69 1t33 h LEU 218 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1t33 h LEU 218 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1t33 h LEU 218 CO 0.08 0.00 -0.52 0.74 0.09 0.00 0.00 178.44 178.83 1t33 h THR 219 N 0.00 1.37 -0.00 0.22 2.02 -1.39 -3.47 112.91 111.66 1t33 h THR 219 Ca 0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1t33 h THR 219 Cb 1.00 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1t33 h THR 219 CO 0.00 0.51 0.00 1.67 0.37 0.00 0.00 175.52 178.07