#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b82 s ALA 1 N 0.00 -0.06 -0.19 7.54 0.00 -0.17 -4.90 121.76 123.98 1b82 s ALA 1 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1b82 s ALA 1 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1b82 s ALA 1 CO 0.00 -0.29 -0.01 0.99 0.00 0.00 0.00 175.76 176.45 1b82 s THR 2 N -2.36 3.95 0.86 0.00 2.01 -1.26 -0.84 115.64 118.00 1b82 s THR 2 Ca -0.07 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1b82 s THR 2 Cb -0.03 -2.77 0.11 0.00 0.01 0.00 0.00 72.50 69.82 1b82 s THR 2 CO -0.04 0.44 1.16 0.00 -0.69 0.00 0.00 174.62 175.50 1b82 h SER 4 N -1.29 0.00 -0.05 0.00 4.64 -1.95 -0.17 113.55 114.73 1b82 h SER 4 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1b82 h SER 4 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1b82 h SER 4 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 1b82 n ASN 5 N -3.64 0.86 0.00 4.97 6.94 -1.26 -4.90 115.26 118.22 1b82 n ASN 5 Ca -0.03 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 1b82 n ASN 5 Cb 0.08 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1b82 n ASN 5 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b82 n GLY 6 N 1.04 1.16 3.84 4.83 0.00 -0.07 -5.04 105.19 110.94 1b82 n GLY 6 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1b82 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b82 s LYS 7 N -0.45 4.03 -0.02 1.61 1.02 -1.26 -4.76 119.74 119.91 1b82 s LYS 7 Ca 0.00 0.70 -0.05 0.00 0.02 0.00 0.00 55.97 56.64 1b82 s LYS 7 Cb 0.00 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1b82 s LYS 7 CO 0.00 0.18 0.21 0.95 -0.92 0.00 0.00 175.35 175.76 1b82 s THR 8 N -1.94 5.40 0.19 2.17 -4.23 -1.26 0.02 115.64 116.00 1b82 s THR 8 Ca 0.53 0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1b82 s THR 8 Cb -0.11 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1b82 s THR 8 CO 0.18 0.38 0.10 0.68 -0.54 0.00 0.00 174.62 175.42 1b82 s VAL 9 N -1.27 0.16 -0.08 2.29 -7.23 -0.02 -4.88 120.40 109.38 1b82 s VAL 9 Ca 0.25 -1.98 0.23 0.00 -1.81 0.00 0.00 61.98 58.68 1b82 s VAL 9 Cb -0.13 -2.41 0.25 0.00 0.56 0.00 0.00 36.38 34.65 1b82 s VAL 9 CO 0.16 -0.12 1.71 1.23 -0.31 0.00 0.00 175.10 177.76 1b82 h GLY 10 N 2.63 0.00 -5.17 2.32 0.00 -1.86 -0.43 103.07 100.55 1b82 h GLY 10 Ca -0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1b82 h GLY 10 CO 0.56 0.00 -0.27 -0.35 0.00 0.00 0.00 176.54 176.48 1b82 s ASP 11 N -6.17 -0.37 0.59 0.19 -1.08 -1.26 -4.17 116.67 104.40 1b82 s ASP 11 Ca 0.03 0.69 0.34 0.00 -0.52 0.00 0.00 52.55 53.09 1b82 s ASP 11 Cb 0.08 0.72 1.89 0.00 -1.46 0.00 0.00 42.92 44.15 1b82 s ASP 11 CO 0.65 -0.17 2.23 0.00 0.52 0.00 0.00 175.17 178.40 1b82 h ALA 12 N 5.35 1.25 0.00 3.66 0.00 -1.91 -0.71 119.26 126.91 1b82 h ALA 12 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1b82 h ALA 12 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b82 h ALA 12 CO 0.28 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.23 1b82 h SER 13 N 0.00 0.00 1.13 0.00 4.64 -2.00 -2.15 113.55 115.17 1b82 h SER 13 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1b82 h SER 13 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1b82 h SER 13 CO 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 175.73 1b82 h ALA 16 N 1.84 1.38 0.00 0.00 0.00 -1.78 -1.89 119.26 118.81 1b82 h ALA 16 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b82 h ALA 16 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1b82 h ALA 16 CO -0.02 0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.18 1b82 n TRP 17 N -3.68 0.62 0.07 0.00 7.02 -0.01 -2.30 117.44 119.17 1b82 n TRP 17 Ca -0.03 0.23 -0.02 0.00 -1.02 0.00 0.00 57.50 56.67 1b82 n TRP 17 Cb 0.13 -0.87 0.24 0.00 -2.42 0.00 0.00 31.31 28.38 1b82 n TRP 17 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1b82 h PHE 18 N 0.00 0.36 -0.49 -5.99 0.04 -1.48 0.20 116.94 109.58 1b82 h PHE 18 Ca 0.00 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1b82 h PHE 18 Cb 0.39 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1b82 h PHE 18 CO 0.00 0.61 0.21 -0.44 -0.60 0.00 0.00 178.31 178.09 1b82 h ASP 19 N 0.27 0.67 -0.48 2.17 3.32 -1.63 -1.96 116.42 118.78 1b82 h ASP 19 Ca 0.03 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1b82 h ASP 19 Cb 0.72 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1b82 h ASP 19 CO 0.06 0.64 0.02 0.58 -1.72 0.00 0.00 179.24 178.81 1b82 h VAL 20 N 0.65 1.26 -0.20 -1.35 2.07 -1.45 -2.40 116.25 114.84 1b82 h VAL 20 Ca 0.17 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.70 1b82 h VAL 20 Cb 0.17 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1b82 h VAL 20 CO -0.02 0.36 -0.05 0.25 0.02 0.00 0.00 177.57 178.13 1b82 h LEU 21 N 0.69 -0.20 -1.05 2.57 5.85 -0.40 -1.08 115.31 121.69 1b82 h LEU 21 Ca 0.14 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1b82 h LEU 21 Cb 0.48 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1b82 h LEU 21 CO 0.02 -0.07 0.33 -0.78 -0.34 0.00 0.00 178.44 177.60 1b82 h ASP 22 N -0.01 0.91 -0.07 1.25 3.58 -1.21 -0.61 116.42 120.26 1b82 h ASP 22 Ca 0.10 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1b82 h ASP 22 Cb 0.15 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1b82 h ASP 22 CO -0.21 0.77 -0.01 -0.78 -2.88 0.00 0.00 179.24 176.13 1b82 h ASP 23 N 0.99 0.13 0.44 2.28 3.58 -1.11 -2.79 116.42 119.94 1b82 h ASP 23 Ca 0.24 -0.35 -0.16 0.00 0.42 0.00 0.00 57.03 57.18 1b82 h ASP 23 Cb 0.11 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1b82 h ASP 23 CO -0.03 0.45 -0.67 0.16 -2.88 0.00 0.00 179.24 176.27 1b82 h ILE 24 N -0.20 1.42 -0.83 2.25 3.07 -1.07 0.88 117.51 123.04 1b82 h ILE 24 Ca 0.02 -2.15 -0.02 0.00 1.55 0.00 0.00 64.86 64.26 1b82 h ILE 24 Cb 0.39 2.12 -0.04 0.00 -0.27 0.00 0.00 36.82 39.02 1b82 h ILE 24 CO 0.01 0.63 0.45 1.56 -1.05 0.00 0.00 178.15 179.74 1b82 h GLN 25 N 0.15 1.16 0.17 0.16 1.08 -1.09 0.89 115.11 117.63 1b82 h GLN 25 Ca -0.01 -0.14 -0.25 0.00 -1.45 0.00 0.00 58.65 56.79 1b82 h GLN 25 Cb 1.20 -0.22 0.02 0.00 -0.05 0.00 0.00 27.48 28.43 1b82 h GLN 25 CO 0.10 0.86 -1.16 0.37 -0.95 0.00 0.00 178.83 178.04 1b82 h GLN 26 N 1.15 0.36 0.00 1.46 4.15 -1.35 0.41 115.11 121.29 1b82 h GLN 26 Ca 0.29 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1b82 h GLN 26 Cb 0.04 0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1b82 h GLN 26 CO -0.05 1.30 -1.39 0.09 -1.93 0.00 0.00 178.83 176.85 1b82 n ASN 27 N -3.95 0.49 -0.07 -0.69 3.02 0.29 -3.58 115.26 110.78 1b82 n ASN 27 Ca -0.17 -0.31 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 1b82 n ASN 27 Cb 0.93 1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 41.33 1b82 n ASN 27 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1b82 n LEU 28 N -1.99 2.69 -1.55 3.41 7.94 0.13 -4.69 117.00 122.93 1b82 n LEU 28 Ca 0.00 -0.03 0.08 0.00 -1.11 0.00 0.00 56.01 54.95 1b82 n LEU 28 Cb 0.46 -0.44 0.35 0.00 0.53 0.00 0.00 43.42 44.32 1b82 n LEU 28 CO 0.43 0.65 0.81 0.49 -1.11 0.00 0.00 177.39 178.67 1b82 n PHE 29 N -2.99 1.57 -3.86 1.96 3.72 -0.14 -4.79 117.46 112.92 1b82 n PHE 29 Ca -0.23 -0.69 -0.28 0.00 -0.05 0.00 0.00 57.45 56.20 1b82 n PHE 29 Cb 0.74 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1b82 n PHE 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1b82 n HIS 30 N 0.68 -1.73 -2.58 1.38 8.25 -1.16 -1.38 115.22 118.68 1b82 n HIS 30 Ca 0.25 0.64 -0.02 0.00 -0.26 0.00 0.00 57.72 58.33 1b82 n HIS 30 Cb 0.98 -3.66 0.01 0.00 1.12 0.00 0.00 29.99 28.43 1b82 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b82 n GLY 31 N -1.88 0.78 2.22 -1.41 0.00 0.14 -4.35 105.19 100.70 1b82 n GLY 31 Ca -0.24 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1b82 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b82 n GLY 32 N -0.67 0.29 3.89 -0.02 0.00 -0.88 -4.99 105.19 102.81 1b82 n GLY 32 Ca -0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1b82 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b82 s GLN 33 N -5.11 3.70 -1.03 1.61 -0.21 -0.48 -4.74 119.66 113.41 1b82 s GLN 33 Ca 0.14 0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.77 1b82 s GLN 33 Cb -0.06 -2.49 0.32 0.00 1.00 0.00 0.00 33.01 31.77 1b82 s GLN 33 CO 0.17 0.05 1.75 0.00 -2.12 0.00 0.00 175.29 175.15 1b82 n GLY 35 N 0.20 4.42 0.15 0.00 0.00 -1.26 -4.64 105.19 104.07 1b82 n GLY 35 Ca 0.43 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 1b82 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b82 h ALA 36 N 0.13 0.31 -0.81 4.61 0.00 -1.92 -0.19 119.26 121.38 1b82 h ALA 36 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1b82 h ALA 36 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1b82 h ALA 36 CO 0.00 -0.41 0.37 0.93 0.00 0.00 0.00 179.25 180.13 1b82 h GLU 37 N 0.07 1.18 -0.14 0.00 3.07 -1.93 0.98 114.58 117.81 1b82 h GLU 37 Ca 0.18 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1b82 h GLU 37 Cb 0.25 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1b82 h GLU 37 CO -0.31 0.92 0.01 0.00 -1.40 0.00 0.00 179.01 178.24 1b82 h ALA 38 N 1.23 0.19 -0.55 3.43 0.00 -1.68 -1.29 119.26 120.59 1b82 h ALA 38 Ca 0.28 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1b82 h ALA 38 Cb 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1b82 h ALA 38 CO -0.03 -0.14 0.21 0.45 0.00 0.00 0.00 179.25 179.75 1b82 h HIS 39 N 0.01 0.37 -0.41 0.00 3.86 -0.61 -1.56 115.15 116.81 1b82 h HIS 39 Ca 0.04 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1b82 h HIS 39 Cb 0.33 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1b82 h HIS 39 CO 0.02 0.12 0.10 0.93 0.86 0.00 0.00 177.93 179.96 1b82 h GLU 40 N 0.40 0.60 -0.35 2.45 5.08 -0.71 -1.47 114.58 120.59 1b82 h GLU 40 Ca 0.27 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1b82 h GLU 40 Cb 0.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1b82 h GLU 40 CO -0.26 0.55 -0.27 0.77 -1.00 0.00 0.00 179.01 178.79 1b82 h SER 41 N 0.59 0.74 -0.12 1.42 0.02 -0.57 -0.14 113.55 115.49 1b82 h SER 41 Ca 0.14 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1b82 h SER 41 Cb 0.23 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1b82 h SER 41 CO -0.00 0.97 0.02 0.40 -1.14 0.00 0.00 176.83 177.08 1b82 h ILE 42 N 0.62 1.22 -0.76 3.27 2.04 -0.93 -2.92 117.51 120.05 1b82 h ILE 42 Ca 0.08 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.33 1b82 h ILE 42 Cb 0.78 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 1b82 h ILE 42 CO 0.06 0.20 0.44 -0.09 0.00 0.00 0.00 178.15 178.76 1b82 h ARG 43 N -0.03 0.77 -0.66 2.37 2.43 -1.10 -2.59 114.38 115.56 1b82 h ARG 43 Ca 0.04 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1b82 h ARG 43 Cb 0.29 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1b82 h ARG 43 CO 0.00 0.51 0.44 1.25 -1.51 0.00 0.00 179.97 180.66 1b82 h LEU 44 N 0.79 0.59 -0.31 3.80 5.85 -0.89 -1.91 115.31 123.22 1b82 h LEU 44 Ca 0.35 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.10 1b82 h LEU 44 Cb 0.23 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1b82 h LEU 44 CO -0.20 0.38 0.11 0.58 -0.34 0.00 0.00 178.44 178.98 1b82 h VAL 45 N 0.67 0.92 -0.43 1.05 2.07 -1.27 -0.08 116.25 119.18 1b82 h VAL 45 Ca 0.29 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.63 1b82 h VAL 45 Cb 0.27 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1b82 h VAL 45 CO -0.09 0.05 -0.12 0.15 0.02 0.00 0.00 177.57 177.57 1b82 h PHE 46 N 0.25 0.85 0.00 1.57 3.57 -1.41 -0.60 116.94 121.16 1b82 h PHE 46 Ca 0.14 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1b82 h PHE 46 Cb 0.11 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1b82 h PHE 46 CO -0.13 0.85 -0.59 0.45 -2.23 0.00 0.00 178.31 176.66 1b82 h HIS 47 N 0.70 0.00 0.13 0.41 3.86 -1.01 -0.42 115.15 118.81 1b82 h HIS 47 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1b82 h HIS 47 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1b82 h HIS 47 CO 0.03 0.59 -0.06 0.22 0.86 0.00 0.00 177.93 179.57 1b82 h ASP 48 N 0.00 -0.14 -0.11 2.45 3.58 -0.89 -3.40 116.42 117.91 1b82 h ASP 48 Ca -0.01 -0.41 -0.23 0.00 0.42 0.00 0.00 57.03 56.80 1b82 h ASP 48 Cb 1.16 0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.26 1b82 h ASP 48 CO 0.08 0.42 -0.82 0.28 -2.88 0.00 0.00 179.24 176.32 1b82 h SER 49 N -0.81 0.92 0.58 2.28 0.02 -0.81 -3.31 113.55 112.44 1b82 h SER 49 Ca -0.02 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1b82 h SER 49 Cb 0.55 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1b82 h SER 49 CO 0.03 1.43 0.00 0.00 -1.14 0.00 0.00 176.83 177.15 1b82 n ILE 50 N -3.92 0.86 -2.49 3.27 0.13 -0.19 -3.91 119.36 113.11 1b82 n ILE 50 Ca -0.08 0.21 -0.43 0.00 -1.10 0.00 0.00 62.75 61.35 1b82 n ILE 50 Cb 0.77 -0.94 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 1b82 n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1b82 n ALA 51 N -1.52 4.22 -3.54 1.51 0.00 -1.24 -4.79 120.51 115.15 1b82 n ALA 51 Ca 0.04 -4.02 -0.12 0.00 0.00 0.00 0.00 53.44 49.35 1b82 n ALA 51 Cb 0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 19.45 16.18 1b82 n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1b82 s ILE 52 N 2.88 -0.01 -0.32 0.00 2.07 -1.23 -2.35 121.20 122.25 1b82 s ILE 52 Ca 0.48 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.76 1b82 s ILE 52 Cb 0.05 -0.76 0.15 0.00 0.13 0.00 0.00 42.46 42.03 1b82 s ILE 52 CO 0.02 0.01 0.36 -0.55 -1.91 0.00 0.00 174.94 172.87 1b82 s SER 53 N 0.79 1.06 0.44 4.50 0.15 -0.60 -4.24 113.70 115.79 1b82 s SER 53 Ca -0.04 -0.88 0.14 0.00 0.70 0.00 0.00 55.95 55.87 1b82 s SER 53 Cb -0.05 0.74 1.04 0.00 -1.71 0.00 0.00 66.02 66.04 1b82 s SER 53 CO -0.06 -0.34 1.98 -0.65 1.20 0.00 0.00 173.24 175.37 1b82 h PRO 54 N 7.86 0.39 -0.65 5.44 0.11 -1.89 -1.90 132.00 141.36 1b82 h PRO 54 Ca -0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1b82 h PRO 54 Cb 1.09 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1b82 h PRO 54 CO 0.27 0.26 0.35 0.00 -0.21 0.00 0.00 178.00 178.67 1b82 h ALA 55 N 1.70 0.83 -0.42 -0.75 0.00 -1.93 -1.68 119.26 117.00 1b82 h ALA 55 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1b82 h ALA 55 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1b82 h ALA 55 CO -0.07 0.35 0.09 0.52 0.00 0.00 0.00 179.25 180.14 1b82 h MET 56 N 0.88 0.68 -0.69 0.00 2.86 -1.69 -3.11 114.93 113.86 1b82 h MET 56 Ca 0.23 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1b82 h MET 56 Cb 0.05 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1b82 h MET 56 CO -0.04 0.70 0.46 0.93 1.06 0.00 0.00 176.91 180.02 1b82 h GLU 57 N 0.55 0.79 0.00 1.72 4.39 -0.90 -1.42 114.58 119.71 1b82 h GLU 57 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1b82 h GLU 57 Cb 0.33 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1b82 h GLU 57 CO 0.00 0.53 -0.07 0.00 -1.16 0.00 0.00 179.01 178.31 1b82 h ALA 58 N 1.60 1.17 -0.18 3.43 0.00 -1.26 -0.39 119.26 123.64 1b82 h ALA 58 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1b82 h ALA 58 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b82 h ALA 58 CO -0.08 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1b82 n GLN 59 N -3.42 1.94 -1.37 0.00 6.02 -0.61 -4.93 117.38 115.02 1b82 n GLN 59 Ca -0.02 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 1b82 n GLN 59 Cb 0.21 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1b82 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b82 n GLY 60 N 1.24 0.41 3.54 1.08 0.00 -0.15 -5.05 105.19 106.25 1b82 n GLY 60 Ca 0.17 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1b82 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b82 s LYS 61 N -2.76 2.07 0.05 1.61 1.02 -0.78 -5.01 119.74 115.94 1b82 s LYS 61 Ca 0.00 -1.03 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1b82 s LYS 61 Cb 0.00 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1b82 s LYS 61 CO 0.00 0.51 1.41 0.12 -0.92 0.00 0.00 175.35 176.48 1b82 s PHE 62 N -1.13 2.97 -1.62 3.18 5.36 -1.26 -3.17 117.98 122.31 1b82 s PHE 62 Ca 0.19 0.83 0.18 0.00 -0.96 0.00 0.00 56.93 57.17 1b82 s PHE 62 Cb -0.11 -3.69 0.48 0.00 -0.34 0.00 0.00 43.02 39.36 1b82 s PHE 62 CO 0.11 -2.52 1.39 0.41 -1.46 0.00 0.00 175.22 173.15 1b82 n GLY 63 N 3.61 2.41 0.00 13.12 0.00 -1.26 -4.72 105.19 118.35 1b82 n GLY 63 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1b82 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b82 n GLY 64 N 1.18 2.20 1.43 -0.02 0.00 -1.26 -1.56 105.19 107.15 1b82 n GLY 64 Ca 0.19 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.61 1b82 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b82 n GLY 65 N 1.95 2.53 7.00 -0.02 0.00 -1.23 -4.38 105.19 111.04 1b82 n GLY 65 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1b82 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b82 n GLY 66 N 1.58 2.07 3.56 -0.02 0.00 -0.99 -4.29 105.19 107.10 1b82 n GLY 66 Ca 0.25 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1b82 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b82 s ALA 67 N -2.00 3.16 0.00 4.61 0.00 0.44 -4.19 121.76 123.78 1b82 s ALA 67 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1b82 s ALA 67 Cb 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1b82 s ALA 67 CO 0.00 -3.36 0.49 -0.40 0.00 0.00 0.00 175.76 172.49 1b82 n ASP 68 N 8.26 0.75 -0.02 0.00 5.68 -1.26 -4.86 116.55 125.10 1b82 n ASP 68 Ca 0.41 -1.24 -0.00 0.00 -0.50 0.00 0.00 54.79 53.46 1b82 n ASP 68 Cb 0.48 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1b82 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b82 n GLY 69 N -0.12 0.42 0.29 6.12 0.00 -1.26 -1.77 105.19 108.87 1b82 n GLY 69 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1b82 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b82 h SER 70 N 0.00 0.49 0.64 1.61 4.64 -1.90 -0.08 113.55 118.94 1b82 h SER 70 Ca -0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1b82 h SER 70 Cb 0.20 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1b82 h SER 70 CO 0.01 0.44 -0.07 -0.29 -0.87 0.00 0.00 176.83 176.05 1b82 h ILE 71 N 0.55 0.24 0.01 0.95 2.10 -1.90 0.15 117.51 119.61 1b82 h ILE 71 Ca 0.14 -0.52 -0.21 0.00 1.08 0.00 0.00 64.86 65.35 1b82 h ILE 71 Cb 0.10 1.41 -0.03 0.00 -1.09 0.00 0.00 36.82 37.21 1b82 h ILE 71 CO -0.02 0.07 -1.15 -0.03 -1.08 0.00 0.00 178.15 175.94 1b82 h MET 72 N 0.00 0.02 -0.22 2.19 4.05 -1.45 -3.15 114.93 116.36 1b82 h MET 72 Ca -0.00 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1b82 h MET 72 Cb 0.40 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1b82 h MET 72 CO 0.01 1.02 0.08 0.82 0.23 0.00 0.00 176.91 179.06 1b82 h ILE 73 N -0.93 0.95 -1.47 1.77 2.04 -1.08 -2.98 117.51 115.81 1b82 h ILE 73 Ca -0.31 -0.06 -0.68 0.00 1.00 0.00 0.00 64.86 64.81 1b82 h ILE 73 Cb 1.32 0.75 -0.33 0.00 -0.74 0.00 0.00 36.82 37.82 1b82 h ILE 73 CO -0.16 0.03 0.42 0.49 0.00 0.00 0.00 178.15 178.92 1b82 n PHE 74 N -5.04 3.11 0.06 1.37 3.72 0.52 -4.81 117.46 116.39 1b82 n PHE 74 Ca -0.02 -2.66 0.03 0.00 -0.05 0.00 0.00 57.45 54.75 1b82 n PHE 74 Cb 0.08 -0.93 0.40 0.00 -0.94 0.00 0.00 39.48 38.09 1b82 n PHE 74 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1b82 h ASP 75 N 2.54 0.35 0.18 4.37 2.03 -1.48 -1.12 116.42 123.29 1b82 h ASP 75 Ca 0.50 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 56.74 1b82 h ASP 75 Cb 0.61 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1b82 h ASP 75 CO 1.28 0.38 -0.10 -2.24 -1.03 0.00 0.00 179.24 177.53 1b82 h ASP 76 N 0.38 0.00 0.00 4.15 2.03 -1.87 -1.15 116.42 119.96 1b82 h ASP 76 Ca 0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.39 1b82 h ASP 76 Cb 0.19 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1b82 h ASP 76 CO -0.00 0.10 -0.38 0.40 -1.03 0.00 0.00 179.24 178.33 1b82 h ILE 77 N 0.00 0.03 -0.39 4.15 1.08 -1.67 -3.39 117.51 117.32 1b82 h ILE 77 Ca -0.00 -1.04 -0.08 0.00 -0.39 0.00 0.00 64.86 63.35 1b82 h ILE 77 Cb 0.22 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 1b82 h ILE 77 CO 0.01 0.01 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.06 1b82 h GLU 78 N -1.00 0.68 0.00 2.37 5.08 -1.25 -2.61 114.58 117.85 1b82 h GLU 78 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1b82 h GLU 78 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1b82 h GLU 78 CO -0.00 0.76 0.00 0.25 -1.00 0.00 0.00 179.01 179.01 1b82 n THR 79 N -4.19 0.20 0.72 1.13 -2.24 -0.44 -1.85 114.28 107.61 1b82 n THR 79 Ca 0.01 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1b82 n THR 79 Cb 0.33 -0.64 0.35 0.00 -2.10 0.00 0.00 70.33 68.28 1b82 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b82 n ALA 80 N -1.28 2.64 -1.77 6.98 0.00 -0.98 -4.36 120.51 121.75 1b82 n ALA 80 Ca 0.12 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1b82 n ALA 80 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1b82 n ALA 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b82 s PHE 81 N -3.09 2.76 0.19 0.00 0.08 -0.77 -4.94 117.98 112.21 1b82 s PHE 81 Ca 0.10 1.51 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1b82 s PHE 81 Cb 0.14 -3.44 0.16 0.00 -0.57 0.00 0.00 43.02 39.31 1b82 s PHE 81 CO 0.64 -1.74 1.82 1.25 -0.10 0.00 0.00 175.22 177.08 1b82 h HIS 82 N 1.88 0.65 0.00 0.36 2.76 -1.89 -0.34 115.15 118.58 1b82 h HIS 82 Ca -0.50 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.69 1b82 h HIS 82 Cb 1.26 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 30.01 1b82 h HIS 82 CO 0.52 0.35 -0.03 -1.35 -1.30 0.00 0.00 177.93 176.13 1b82 h PRO 83 N 0.68 0.00 -0.64 5.26 0.11 -1.91 -2.52 132.00 132.99 1b82 h PRO 83 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1b82 h PRO 83 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1b82 h PRO 83 CO -0.12 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 177.78 1b82 n ASN 84 N -3.29 4.19 -4.61 -2.05 3.02 -0.14 -5.01 115.26 107.38 1b82 n ASN 84 Ca -0.02 -2.36 -0.49 0.00 -0.03 0.00 0.00 54.58 51.68 1b82 n ASN 84 Cb 0.15 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 1b82 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b82 n ILE 85 N 1.01 0.56 -0.52 2.41 0.13 -0.95 -1.75 119.36 120.25 1b82 n ILE 85 Ca 0.23 -0.14 0.00 0.00 -1.10 0.00 0.00 62.75 61.74 1b82 n ILE 85 Cb 0.78 -1.03 0.00 0.00 -0.84 0.00 0.00 39.64 38.55 1b82 n ILE 85 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1b82 n GLY 86 N 2.34 1.82 0.08 4.50 0.00 -1.26 -4.89 105.19 107.78 1b82 n GLY 86 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1b82 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b82 n LEU 87 N 0.00 0.71 0.24 0.99 4.77 -0.72 -3.44 117.00 119.55 1b82 n LEU 87 Ca 0.00 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 1b82 n LEU 87 Cb 0.00 -0.31 0.59 0.00 -2.33 0.00 0.00 43.42 41.38 1b82 n LEU 87 CO 0.00 -0.13 0.89 -0.78 -1.33 0.00 0.00 177.39 176.04 1b82 h ASP 88 N 0.00 0.00 0.00 -1.43 3.58 -1.86 -1.74 116.42 114.97 1b82 h ASP 88 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1b82 h ASP 88 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1b82 h ASP 88 CO 0.00 0.19 -0.00 -0.08 -2.88 0.00 0.00 179.24 176.47 1b82 h GLU 89 N 0.00 -0.01 -0.13 0.28 4.22 -1.77 -0.92 114.58 116.25 1b82 h GLU 89 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 1b82 h GLU 89 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1b82 h GLU 89 CO 0.02 0.06 -0.46 0.97 -2.18 0.00 0.00 179.01 177.42 1b82 h ILE 90 N -0.07 1.33 -0.45 2.32 6.09 -1.66 -2.54 117.51 122.53 1b82 h ILE 90 Ca -0.00 -1.66 0.02 0.00 -1.37 0.00 0.00 64.86 61.85 1b82 h ILE 90 Cb 0.07 1.73 -0.03 0.00 0.47 0.00 0.00 36.82 39.06 1b82 h ILE 90 CO 0.00 0.50 0.28 0.58 -3.07 0.00 0.00 178.15 176.44 1b82 h VAL 91 N 0.27 1.07 -0.57 2.19 2.07 -1.15 -1.00 116.25 119.13 1b82 h VAL 91 Ca 0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1b82 h VAL 91 Cb 0.92 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1b82 h VAL 91 CO 0.08 0.10 0.23 0.11 0.02 0.00 0.00 177.57 178.11 1b82 h LYS 92 N 0.56 0.82 -0.09 1.57 1.57 -1.00 -0.71 116.57 119.29 1b82 h LYS 92 Ca 0.18 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1b82 h LYS 92 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1b82 h LYS 92 CO -0.07 0.67 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.89 1b82 h LEU 93 N 0.81 0.28 0.11 2.94 3.38 -1.01 -3.26 115.31 118.56 1b82 h LEU 93 Ca 0.19 -0.14 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1b82 h LEU 93 Cb 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1b82 h LEU 93 CO -0.02 0.75 -1.27 1.56 0.09 0.00 0.00 178.44 179.56 1b82 h GLN 94 N 0.20 0.24 -0.71 1.13 4.20 -0.81 -3.39 115.11 115.97 1b82 h GLN 94 Ca 0.00 -0.41 0.16 0.00 0.06 0.00 0.00 58.65 58.46 1b82 h GLN 94 Cb 0.99 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.80 1b82 h GLN 94 CO 0.08 1.18 0.01 0.87 -0.67 0.00 0.00 178.83 180.29 1b82 h LYS 95 N 0.07 0.11 -0.43 1.46 1.57 -1.18 -1.84 116.57 116.33 1b82 h LYS 95 Ca -0.14 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1b82 h LYS 95 Cb 1.96 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.22 1b82 h LYS 95 CO 0.19 0.07 0.29 -1.35 -0.57 0.00 0.00 179.45 178.08 1b82 h PRO 96 N 0.11 0.30 -0.15 3.15 0.11 -1.76 -1.73 132.00 132.04 1b82 h PRO 96 Ca 0.38 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 1b82 h PRO 96 Cb 0.65 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1b82 h PRO 96 CO -0.62 0.20 -0.47 0.74 -0.21 0.00 0.00 178.00 177.64 1b82 h PHE 97 N 0.31 0.45 -0.08 0.65 0.04 -1.59 -1.39 116.94 115.32 1b82 h PHE 97 Ca 0.19 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1b82 h PHE 97 Cb 0.36 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1b82 h PHE 97 CO -0.00 0.77 0.01 0.28 -0.60 0.00 0.00 178.31 178.77 1b82 h VAL 98 N 0.30 1.23 -0.35 -0.55 2.07 -1.24 -2.19 116.25 115.52 1b82 h VAL 98 Ca 0.02 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1b82 h VAL 98 Cb 0.94 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1b82 h VAL 98 CO 0.08 0.20 0.15 -0.61 0.02 0.00 0.00 177.57 177.40 1b82 h GLN 99 N -0.11 0.51 -0.69 1.57 4.15 -1.42 -1.67 115.11 117.46 1b82 h GLN 99 Ca 0.03 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1b82 h GLN 99 Cb 0.30 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1b82 h GLN 99 CO 0.00 0.50 0.39 -0.22 -1.93 0.00 0.00 178.83 177.57 1b82 h LYS 100 N 0.42 0.95 -0.02 1.69 3.64 -1.23 -3.04 116.57 118.98 1b82 h LYS 100 Ca 0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1b82 h LYS 100 Cb 0.17 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1b82 h LYS 100 CO -0.01 0.69 -0.25 0.72 -2.27 0.00 0.00 179.45 178.33 1b82 n HIS 101 N -4.37 0.00 -2.54 1.91 8.25 -0.83 -4.99 115.22 112.65 1b82 n HIS 101 Ca 0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 1b82 n HIS 101 Cb 0.09 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.21 1b82 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b82 n GLY 102 N 1.28 -0.22 3.90 -1.41 0.00 -0.64 -5.02 105.19 103.08 1b82 n GLY 102 Ca 0.10 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1b82 n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b82 s VAL 103 N -2.87 3.82 0.41 1.61 -7.23 -1.22 -5.09 120.40 109.83 1b82 s VAL 103 Ca 0.11 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 1b82 s VAL 103 Cb -0.05 -3.30 -0.09 0.00 0.56 0.00 0.00 36.38 33.51 1b82 s VAL 103 CO 0.13 -0.18 1.05 0.42 -0.31 0.00 0.00 175.10 176.21 1b82 s THR 104 N -2.24 3.74 0.26 5.32 -4.23 -1.26 -4.83 115.64 112.39 1b82 s THR 104 Ca 0.42 1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 62.17 1b82 s THR 104 Cb -0.07 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.39 1b82 s THR 104 CO 0.28 -0.04 1.89 -0.65 -0.54 0.00 0.00 174.62 175.56 1b82 h PRO 105 N 2.32 1.15 -0.28 3.99 0.11 -1.88 -0.64 132.00 136.78 1b82 h PRO 105 Ca -0.48 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 1b82 h PRO 105 Cb 1.22 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1b82 h PRO 105 CO 0.62 0.76 -0.27 0.78 -0.21 0.00 0.00 178.00 179.68 1b82 h GLY 106 N 1.19 0.59 1.23 -0.55 0.00 -1.82 -1.19 103.07 102.52 1b82 h GLY 106 Ca 0.41 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1b82 h GLY 106 CO -0.15 0.46 -0.55 -0.55 0.00 0.00 0.00 176.54 175.76 1b82 h ASP 107 N 0.48 0.90 -0.51 0.19 3.32 -1.66 -2.49 116.42 116.64 1b82 h ASP 107 Ca 0.07 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1b82 h ASP 107 Cb 0.72 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1b82 h ASP 107 CO 0.06 1.26 0.25 0.15 -1.72 0.00 0.00 179.24 179.24 1b82 h PHE 108 N 0.62 0.73 -0.48 4.55 3.57 -0.95 0.12 116.94 125.10 1b82 h PHE 108 Ca 0.01 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1b82 h PHE 108 Cb 1.14 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1b82 h PHE 108 CO 0.07 0.57 0.25 0.82 -2.23 0.00 0.00 178.31 177.79 1b82 h ILE 109 N 0.68 0.99 -0.53 1.41 2.04 -1.11 0.18 117.51 121.16 1b82 h ILE 109 Ca 0.18 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1b82 h ILE 109 Cb 0.11 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1b82 h ILE 109 CO -0.02 0.09 0.02 0.00 0.00 0.00 0.00 178.15 178.24 1b82 h ALA 110 N 1.24 1.03 0.24 1.87 0.00 -1.25 -1.83 119.26 120.57 1b82 h ALA 110 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1b82 h ALA 110 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1b82 h ALA 110 CO -0.13 0.60 -0.12 0.35 0.00 0.00 0.00 179.25 179.96 1b82 h PHE 111 N 0.82 -0.30 -0.35 0.00 3.57 -0.52 -2.10 116.94 118.06 1b82 h PHE 111 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1b82 h PHE 111 Cb 0.47 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1b82 h PHE 111 CO 0.03 -0.10 0.15 0.00 -2.23 0.00 0.00 178.31 176.15 1b82 h ALA 112 N 0.28 1.61 -0.34 2.41 0.00 -0.59 0.27 119.26 122.90 1b82 h ALA 112 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1b82 h ALA 112 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1b82 h ALA 112 CO 0.05 0.31 -0.10 0.78 0.00 0.00 0.00 179.25 180.30 1b82 h GLY 113 N 0.63 0.73 0.89 0.00 0.00 -1.26 0.75 103.07 104.81 1b82 h GLY 113 Ca 0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1b82 h GLY 113 CO -0.01 0.56 0.01 0.00 0.00 0.00 0.00 176.54 177.10 1b82 h ALA 114 N 0.81 0.41 -0.67 3.60 0.00 -0.73 -2.01 119.26 120.67 1b82 h ALA 114 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1b82 h ALA 114 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1b82 h ALA 114 CO 0.04 0.15 0.32 0.28 0.00 0.00 0.00 179.25 180.03 1b82 h VAL 115 N 0.34 1.23 -0.37 0.00 2.07 -0.91 -1.64 116.25 116.97 1b82 h VAL 115 Ca 0.09 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1b82 h VAL 115 Cb 0.41 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1b82 h VAL 115 CO 0.01 0.27 0.10 0.00 0.02 0.00 0.00 177.57 177.97 1b82 h ALA 116 N 1.15 0.41 -0.27 1.67 0.00 -0.78 -1.91 119.26 119.52 1b82 h ALA 116 Ca 0.23 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1b82 h ALA 116 Cb 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1b82 h ALA 116 CO -0.03 -0.30 -0.11 -0.07 0.00 0.00 0.00 179.25 178.74 1b82 h LEU 117 N 0.23 0.43 -2.39 0.00 3.38 -1.16 -2.14 115.31 113.67 1b82 h LEU 117 Ca 0.17 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1b82 h LEU 117 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1b82 h LEU 117 CO -0.21 0.58 0.05 0.77 0.09 0.00 0.00 178.44 179.72 1b82 h SER 118 N 0.42 0.00 1.11 -0.43 4.64 -0.51 0.16 113.55 118.95 1b82 h SER 118 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1b82 h SER 118 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1b82 h SER 118 CO 0.03 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 1b82 n ASN 119 N -3.88 0.76 -4.59 4.97 5.03 -0.80 -4.26 115.26 112.49 1b82 n ASN 119 Ca -0.02 0.62 -0.39 0.00 0.87 0.00 0.00 54.58 55.66 1b82 n ASN 119 Cb 0.14 -0.81 -0.09 0.00 -1.02 0.00 0.00 39.78 37.99 1b82 n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b82 n PRO 121 N 5.30 1.77 0.00 0.00 -0.02 -1.25 -1.66 135.00 139.13 1b82 n PRO 121 Ca -0.10 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1b82 n PRO 121 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1b82 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b82 n GLY 122 N 1.66 2.26 3.73 -1.23 0.00 0.75 -0.83 105.19 111.53 1b82 n GLY 122 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1b82 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b82 s ALA 123 N -2.58 2.07 1.01 4.61 0.00 -0.67 -4.80 121.76 121.40 1b82 s ALA 123 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1b82 s ALA 123 Cb 0.00 -3.40 0.20 0.00 0.00 0.00 0.00 23.12 19.92 1b82 s ALA 123 CO 0.00 -1.93 1.08 -2.14 0.00 0.00 0.00 175.76 172.77 1b82 s PRO 124 N -4.28 0.30 -0.48 0.00 0.02 -1.26 -4.75 135.00 124.54 1b82 s PRO 124 Ca 0.69 0.86 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 1b82 s PRO 124 Cb -0.24 -1.69 0.03 0.00 0.02 0.00 0.00 34.50 32.62 1b82 s PRO 124 CO 0.49 -2.91 1.16 -1.14 -0.33 0.00 0.00 177.00 174.27 1b82 s GLN 125 N -4.74 3.70 0.26 5.54 2.00 -1.26 -4.72 119.66 120.44 1b82 s GLN 125 Ca 0.66 0.56 -0.20 0.00 -2.00 0.00 0.00 55.36 54.38 1b82 s GLN 125 Cb -0.21 -3.92 -0.09 0.00 0.80 0.00 0.00 33.01 29.59 1b82 s GLN 125 CO 0.60 -1.42 0.77 -1.64 -0.50 0.00 0.00 175.29 173.10 1b82 s MET 126 N 4.52 4.25 0.49 1.67 -1.94 -1.26 -4.99 119.30 122.04 1b82 s MET 126 Ca 0.48 0.91 0.01 0.00 -1.71 0.00 0.00 55.69 55.38 1b82 s MET 126 Cb -0.07 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 34.02 1b82 s MET 126 CO 0.32 0.32 0.71 -0.80 -0.01 0.00 0.00 175.02 175.55 1b82 s ASN 127 N -1.78 5.59 -0.24 3.03 0.01 -1.26 -4.80 114.94 115.48 1b82 s ASN 127 Ca 0.47 0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 52.68 1b82 s ASN 127 Cb -0.15 -1.23 0.11 0.00 0.41 0.00 0.00 41.25 40.39 1b82 s ASN 127 CO 0.20 -0.89 0.51 0.12 -1.51 0.00 0.00 177.10 175.53 1b82 s PHE 128 N -2.64 -1.03 0.04 2.20 5.36 -1.26 -4.86 117.98 115.79 1b82 s PHE 128 Ca 0.52 1.79 0.09 0.00 -0.96 0.00 0.00 56.93 58.37 1b82 s PHE 128 Cb -0.10 0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1b82 s PHE 128 CO 0.38 -0.58 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.24 1b82 s PHE 129 N 2.72 2.31 0.36 10.12 0.40 -1.26 -0.16 117.98 132.47 1b82 s PHE 129 Ca -0.02 -0.42 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1b82 s PHE 129 Cb -0.12 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1b82 s PHE 129 CO -0.15 0.11 0.23 0.95 0.70 0.00 0.00 175.22 177.06 1b82 s THR 130 N -0.79 3.06 0.00 0.64 -4.23 -0.21 -4.90 115.64 109.22 1b82 s THR 130 Ca 0.11 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1b82 s THR 130 Cb -0.10 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1b82 s THR 130 CO 0.02 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1b82 n GLY 131 N -1.30 0.69 3.57 3.99 0.00 -1.26 -1.65 105.19 109.24 1b82 n GLY 131 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1b82 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b82 s ARG 132 N 0.00 3.62 0.73 1.61 0.52 -1.26 -4.97 118.95 119.20 1b82 s ARG 132 Ca 0.00 0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 55.33 1b82 s ARG 132 Cb 0.00 -3.88 0.04 0.00 0.52 0.00 0.00 34.95 31.63 1b82 s ARG 132 CO 0.00 -1.10 1.15 0.00 0.02 0.00 0.00 175.30 175.37 1b82 s ALA 133 N 3.57 2.18 0.35 2.13 0.00 -1.26 -4.52 121.76 124.20 1b82 s ALA 133 Ca 0.36 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 1b82 s ALA 133 Cb -0.11 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1b82 s ALA 133 CO 0.23 -1.76 1.51 -2.14 0.00 0.00 0.00 175.76 173.60 1b82 s PRO 134 N -4.16 4.12 0.53 0.00 0.02 -1.26 -4.78 135.00 129.47 1b82 s PRO 134 Ca 0.69 2.56 -0.22 0.00 0.02 0.00 0.00 61.00 64.05 1b82 s PRO 134 Cb -0.24 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1b82 s PRO 134 CO 0.47 -0.55 1.32 0.00 -0.33 0.00 0.00 177.00 177.91 1b82 s ALA 135 N -0.76 2.84 -0.07 -1.55 0.00 -0.73 -4.95 121.76 116.55 1b82 s ALA 135 Ca 0.56 1.26 0.21 0.00 0.00 0.00 0.00 51.96 54.00 1b82 s ALA 135 Cb -0.47 -3.54 -0.31 0.00 0.00 0.00 0.00 23.12 18.81 1b82 s ALA 135 CO 0.58 -1.25 0.43 0.25 0.00 0.00 0.00 175.76 175.77 1b82 n THR 136 N -0.95 0.27 -3.94 0.00 -2.24 -1.26 -4.95 114.28 101.21 1b82 n THR 136 Ca 0.10 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 1b82 n THR 136 Cb 0.46 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1b82 n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b82 s GLN 137 N -3.33 0.44 0.77 -0.78 -0.21 -1.26 -5.15 119.66 110.13 1b82 s GLN 137 Ca -0.08 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1b82 s GLN 137 Cb 0.12 0.17 0.06 0.00 1.00 0.00 0.00 33.01 34.36 1b82 s GLN 137 CO 0.89 -0.09 1.15 -1.25 -2.12 0.00 0.00 175.29 173.87 1b82 s PRO 138 N -1.79 2.04 0.50 2.91 0.04 -1.26 -4.79 135.00 132.65 1b82 s PRO 138 Ca -0.12 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1b82 s PRO 138 Cb -0.07 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1b82 s PRO 138 CO -0.01 -1.86 1.05 0.00 0.04 0.00 0.00 177.00 176.21 1b82 s ALA 139 N -2.41 2.85 0.81 8.56 0.00 -1.26 -4.79 121.76 125.51 1b82 s ALA 139 Ca 0.68 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1b82 s ALA 139 Cb -0.23 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.71 1b82 s ALA 139 CO 0.50 -0.39 1.12 -2.14 0.00 0.00 0.00 175.76 174.84 1b82 s PRO 140 N -3.33 1.91 0.74 0.00 0.02 -1.26 -4.90 135.00 128.17 1b82 s PRO 140 Ca 0.67 1.33 -0.10 0.00 0.02 0.00 0.00 61.00 62.93 1b82 s PRO 140 Cb -0.17 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.56 1b82 s PRO 140 CO 0.22 -1.93 1.09 0.34 -0.33 0.00 0.00 177.00 176.39 1b82 s ASP 141 N -3.05 4.89 0.00 2.53 -1.08 -1.26 -4.31 116.67 114.39 1b82 s ASP 141 Ca 0.64 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 1b82 s ASP 141 Cb -0.20 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.87 1b82 s ASP 141 CO 0.55 -1.62 0.00 0.61 0.52 0.00 0.00 175.17 175.23 1b82 n GLY 142 N -3.06 0.68 0.00 2.66 0.00 -1.26 -4.94 105.19 99.27 1b82 n GLY 142 Ca 0.07 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1b82 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b82 n LEU 143 N 0.00 0.27 -4.62 0.99 4.77 -1.26 -4.92 117.00 112.24 1b82 n LEU 143 Ca 0.00 -0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.39 1b82 n LEU 143 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1b82 n LEU 143 CO 0.00 0.07 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.19 1b82 s VAL 144 N -2.51 4.81 0.65 4.08 1.01 -1.26 -4.61 120.40 122.57 1b82 s VAL 144 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1b82 s VAL 144 Cb 0.08 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1b82 s VAL 144 CO 0.51 0.44 1.25 -2.84 0.00 0.00 0.00 175.10 174.45 1b82 s PRO 145 N 0.56 2.56 0.22 2.72 0.02 -1.26 -4.80 135.00 135.02 1b82 s PRO 145 Ca 0.04 1.92 0.10 0.00 0.02 0.00 0.00 61.00 63.07 1b82 s PRO 145 Cb -0.13 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1b82 s PRO 145 CO 0.01 -1.55 -0.08 -1.21 -0.33 0.00 0.00 177.00 173.84 1b82 s GLU 146 N -3.50 2.07 0.45 5.54 0.41 -1.26 -4.91 118.70 117.50 1b82 s GLU 146 Ca 0.79 -1.39 0.30 0.00 -0.41 0.00 0.00 54.97 54.27 1b82 s GLU 146 Cb -0.33 -2.10 1.24 0.00 -1.78 0.00 0.00 34.13 31.15 1b82 s GLU 146 CO 0.39 0.40 1.89 -1.00 -0.49 0.00 0.00 175.26 176.45 1b82 h PRO 147 N 2.51 0.00 -0.40 0.39 0.13 -1.95 -2.01 132.00 130.66 1b82 h PRO 147 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1b82 h PRO 147 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1b82 h PRO 147 CO 0.57 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.31 1b82 n PHE 148 N -2.80 0.51 -2.09 1.56 1.16 -1.26 -1.58 117.46 112.96 1b82 n PHE 148 Ca 0.01 -0.25 -0.34 0.00 -1.87 0.00 0.00 57.45 55.00 1b82 n PHE 148 Cb 0.28 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.16 1b82 n PHE 148 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1b82 s HIS 149 N -1.49 2.73 0.79 2.97 3.76 -0.76 -5.02 115.29 118.27 1b82 s HIS 149 Ca 0.39 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.74 1b82 s HIS 149 Cb 0.23 -3.19 0.07 0.00 1.11 0.00 0.00 32.58 30.80 1b82 s HIS 149 CO 0.32 -1.48 1.09 0.95 -0.85 0.00 0.00 174.74 174.77 1b82 s THR 150 N -2.07 3.24 0.21 1.30 -4.23 -1.26 -4.74 115.64 108.08 1b82 s THR 150 Ca 0.69 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1b82 s THR 150 Cb -0.21 -2.93 0.13 0.00 1.34 0.00 0.00 72.50 70.83 1b82 s THR 150 CO 0.32 -0.52 1.73 0.58 -0.54 0.00 0.00 174.62 176.19 1b82 h VAL 151 N -1.18 1.26 -0.74 2.29 2.07 -1.95 -1.83 116.25 116.18 1b82 h VAL 151 Ca -0.45 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1b82 h VAL 151 Cb 1.24 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1b82 h VAL 151 CO 0.53 0.37 0.41 0.44 0.02 0.00 0.00 177.57 179.34 1b82 h ASP 152 N 1.09 0.91 -0.17 0.57 3.32 -2.00 -0.12 116.42 120.03 1b82 h ASP 152 Ca 0.23 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 1b82 h ASP 152 Cb 0.34 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1b82 h ASP 152 CO -0.00 0.73 -0.54 -0.61 -1.72 0.00 0.00 179.24 177.10 1b82 h GLN 153 N 1.03 0.75 -0.24 3.56 4.15 -1.80 -1.72 115.11 120.84 1b82 h GLN 153 Ca 0.26 -0.47 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1b82 h GLN 153 Cb 0.02 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1b82 h GLN 153 CO -0.04 1.10 0.08 0.82 -1.93 0.00 0.00 178.83 178.85 1b82 h ILE 154 N 0.58 1.19 -0.47 2.39 2.04 -0.93 0.00 117.51 122.31 1b82 h ILE 154 Ca 0.02 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.37 1b82 h ILE 154 Cb 1.12 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1b82 h ILE 154 CO 0.11 0.19 0.12 0.40 0.00 0.00 0.00 178.15 178.97 1b82 h ILE 155 N 0.22 0.77 -0.66 -0.67 2.04 -0.96 -1.84 117.51 116.41 1b82 h ILE 155 Ca 0.08 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1b82 h ILE 155 Cb 0.22 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1b82 h ILE 155 CO -0.00 0.05 0.10 0.78 0.00 0.00 0.00 178.15 179.08 1b82 h ASN 156 N 0.26 1.06 -0.12 1.72 -0.26 -1.09 -1.38 115.58 115.77 1b82 h ASN 156 Ca 0.23 -0.26 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1b82 h ASN 156 Cb 0.28 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1b82 h ASN 156 CO -0.28 1.05 0.05 -0.09 -1.06 0.00 0.00 177.43 177.10 1b82 h ARG 157 N 1.02 0.12 0.00 0.81 9.65 -0.60 -0.49 114.38 124.88 1b82 h ARG 157 Ca 0.20 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.99 1b82 h ARG 157 Cb 0.45 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1b82 h ARG 157 CO 0.01 0.08 -0.42 -0.39 2.80 0.00 0.00 179.97 182.05 1b82 h VAL 158 N 0.12 0.93 -0.37 0.20 -1.51 -1.25 -1.10 116.25 113.28 1b82 h VAL 158 Ca 0.05 -1.67 -0.09 0.00 -1.23 0.00 0.00 66.70 63.76 1b82 h VAL 158 Cb 0.02 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1b82 h VAL 158 CO -0.04 0.41 -0.13 -1.13 -1.23 0.00 0.00 177.57 175.44 1b82 h ASN 159 N 0.00 0.75 -0.16 4.19 -1.24 -1.00 -2.11 115.58 116.01 1b82 h ASN 159 Ca -0.00 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1b82 h ASN 159 Cb 0.98 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 1b82 h ASN 159 CO 0.05 0.97 0.10 -0.78 -1.29 0.00 0.00 177.43 176.48 1b82 h ASP 160 N 0.53 0.18 -0.49 1.15 3.58 -0.91 0.35 116.42 120.82 1b82 h ASP 160 Ca 0.09 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1b82 h ASP 160 Cb 0.66 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1b82 h ASP 160 CO 0.04 0.15 0.18 0.00 -2.88 0.00 0.00 179.24 176.73 1b82 h ALA 161 N 1.05 0.63 0.00 -0.78 0.00 -1.13 -3.39 119.26 115.64 1b82 h ALA 161 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1b82 h ALA 161 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1b82 h ALA 161 CO -0.01 0.25 -0.37 0.41 0.00 0.00 0.00 179.25 179.53 1b82 n GLY 162 N -0.76 0.52 2.43 0.00 0.00 -0.81 -4.82 105.19 101.75 1b82 n GLY 162 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1b82 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b82 n GLU 163 N 0.00 -1.48 -2.61 1.61 1.02 0.11 -4.97 120.64 114.33 1b82 n GLU 163 Ca 0.00 1.01 -0.39 0.00 -0.02 0.00 0.00 57.16 57.76 1b82 n GLU 163 Cb 0.65 -5.51 -0.05 0.00 -0.02 0.00 0.00 31.44 26.51 1b82 n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1b82 s PHE 164 N -2.89 3.68 0.42 -0.32 0.08 -1.12 -4.92 117.98 112.91 1b82 s PHE 164 Ca 0.00 1.77 0.04 0.00 0.12 0.00 0.00 56.93 58.86 1b82 s PHE 164 Cb 0.00 -3.12 0.08 0.00 -0.57 0.00 0.00 43.02 39.40 1b82 s PHE 164 CO 0.00 -0.15 0.58 -0.40 -0.10 0.00 0.00 175.22 175.14 1b82 n ASP 165 N 1.03 1.20 0.23 1.36 5.68 -1.26 -3.32 116.55 121.46 1b82 n ASP 165 Ca -0.00 -1.91 0.08 0.00 -0.50 0.00 0.00 54.79 52.45 1b82 n ASP 165 Cb 0.47 -0.33 0.54 0.00 -1.14 0.00 0.00 41.12 40.65 1b82 n ASP 165 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1b82 h GLU 166 N 0.00 0.00 -0.27 0.11 4.11 -1.96 -2.01 114.58 114.56 1b82 h GLU 166 Ca -0.19 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.11 1b82 h GLU 166 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1b82 h GLU 166 CO 0.25 0.22 -0.31 -0.07 0.07 0.00 0.00 179.01 179.17 1b82 h LEU 167 N 0.00 0.74 -1.38 3.06 3.38 -1.94 -3.05 115.31 116.12 1b82 h LEU 167 Ca -0.00 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1b82 h LEU 167 Cb 0.48 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1b82 h LEU 167 CO 0.03 1.08 -0.10 -0.33 0.09 0.00 0.00 178.44 179.21 1b82 h GLU 168 N 0.41 0.29 -0.57 1.13 5.08 -1.80 -2.02 114.58 117.09 1b82 h GLU 168 Ca 0.04 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1b82 h GLU 168 Cb 0.89 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1b82 h GLU 168 CO 0.08 0.40 0.32 1.25 -1.00 0.00 0.00 179.01 180.06 1b82 h LEU 169 N 0.28 0.50 -0.68 1.33 5.85 -1.28 -0.73 115.31 120.57 1b82 h LEU 169 Ca 0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1b82 h LEU 169 Cb 0.36 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1b82 h LEU 169 CO 0.02 0.34 0.30 0.58 -0.34 0.00 0.00 178.44 179.34 1b82 h VAL 170 N 0.63 1.24 -0.62 1.05 2.07 -1.30 -2.68 116.25 116.64 1b82 h VAL 170 Ca 0.24 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1b82 h VAL 170 Cb 0.09 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1b82 h VAL 170 CO -0.13 0.29 0.36 -0.50 0.02 0.00 0.00 177.57 177.60 1b82 h TRP 171 N 0.96 0.83 0.00 1.57 6.55 -0.94 -2.23 115.95 122.69 1b82 h TRP 171 Ca 0.23 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 60.03 1b82 h TRP 171 Cb 0.16 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1b82 h TRP 171 CO 0.01 0.58 -0.16 0.00 -1.05 0.00 0.00 178.44 177.82 1b82 h MET 172 N 0.84 0.00 0.00 0.49 -0.00 -0.97 -2.42 114.93 112.87 1b82 h MET 172 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.92 1b82 h MET 172 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1b82 h MET 172 CO -0.04 0.16 0.00 1.28 -0.00 0.00 0.00 176.91 178.31 1b82 n LEU 173 N -3.31 0.00 -0.06 -0.10 4.77 -0.84 -2.66 117.00 114.79 1b82 n LEU 173 Ca 0.00 0.31 0.23 0.00 -0.03 0.00 0.00 56.01 56.52 1b82 n LEU 173 Cb 0.40 -0.31 0.69 0.00 -2.33 0.00 0.00 43.42 41.87 1b82 n LEU 173 CO 0.32 -0.12 1.21 0.28 -1.33 0.00 0.00 177.39 177.74 1b82 h SER 174 N 0.00 0.01 -0.05 -1.43 0.02 -1.44 -1.27 113.55 109.39 1b82 h SER 174 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1b82 h SER 174 Cb 0.19 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1b82 h SER 174 CO 0.00 0.01 0.13 0.00 -1.14 0.00 0.00 176.83 175.83 1b82 h ALA 175 N 1.68 1.36 0.00 3.77 0.00 -1.75 -0.23 119.26 124.09 1b82 h ALA 175 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1b82 h ALA 175 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b82 h ALA 175 CO -0.01 -0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.80 1b82 n HIS 176 N -3.32 0.00 0.24 0.00 -0.00 -0.48 -1.97 115.22 109.69 1b82 n HIS 176 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.83 1b82 n HIS 176 Cb 0.21 0.00 0.26 0.00 -0.00 0.00 0.00 29.99 30.46 1b82 n HIS 176 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1b82 h SER 177 N 0.00 0.00 -2.15 0.41 0.87 -1.24 -3.33 113.55 108.11 1b82 h SER 177 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1b82 h SER 177 Cb 0.00 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.55 1b82 h SER 177 CO 0.00 0.00 -0.79 1.33 -0.53 0.00 0.00 176.83 176.84 1b82 n VAL 178 N -3.07 1.57 -3.50 2.23 0.24 -0.83 -4.23 118.33 110.74 1b82 n VAL 178 Ca 0.04 -4.98 -0.15 0.00 -2.04 0.00 0.00 64.34 57.20 1b82 n VAL 178 Cb 0.49 -1.65 -0.05 0.00 -1.47 0.00 0.00 33.84 31.17 1b82 n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b82 s ALA 179 N -2.46 -1.62 0.11 2.33 0.00 -1.25 -4.69 121.76 114.18 1b82 s ALA 179 Ca 0.41 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1b82 s ALA 179 Cb 0.21 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1b82 s ALA 179 CO -0.07 -0.52 0.07 0.00 0.00 0.00 0.00 175.76 175.24 1b82 s ALA 180 N -2.23 0.63 -0.19 0.00 0.00 -1.26 -1.76 121.76 116.94 1b82 s ALA 180 Ca -0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1b82 s ALA 180 Cb -0.00 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1b82 s ALA 180 CO 0.01 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 175.25 1b82 s VAL 181 N -4.00 2.90 -0.09 0.00 1.01 0.11 -4.88 120.40 115.45 1b82 s VAL 181 Ca 0.19 -0.67 0.16 0.00 0.00 0.00 0.00 61.98 61.66 1b82 s VAL 181 Cb 0.07 -2.27 -0.24 0.00 0.00 0.00 0.00 36.38 33.94 1b82 s VAL 181 CO -0.02 0.48 0.22 0.59 0.00 0.00 0.00 175.10 176.37 1b82 n ASN 182 N 4.47 0.99 0.00 3.32 3.02 -1.26 -1.01 115.26 124.80 1b82 n ASN 182 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1b82 n ASN 182 Cb 0.51 1.35 0.00 0.00 -0.61 0.00 0.00 39.78 41.03 1b82 n ASN 182 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b82 n ASP 183 N -2.36 0.97 0.04 6.41 8.00 -1.26 -4.45 116.55 123.90 1b82 n ASP 183 Ca -0.15 -1.07 -0.21 0.00 0.71 0.00 0.00 54.79 54.06 1b82 n ASP 183 Cb 0.75 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.70 1b82 n ASP 183 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b82 h VAL 184 N 0.12 1.23 -3.55 2.53 2.07 -1.90 -3.41 116.25 113.34 1b82 h VAL 184 Ca 0.00 -2.48 -0.69 0.00 0.82 0.00 0.00 66.70 64.35 1b82 h VAL 184 Cb 0.10 2.93 -0.19 0.00 -1.52 0.00 0.00 31.29 32.61 1b82 h VAL 184 CO 0.00 0.72 -0.21 -0.62 0.02 0.00 0.00 177.57 177.48 1b82 s ASP 185 N -7.07 6.20 0.61 0.57 -1.08 -1.26 -4.76 116.67 109.88 1b82 s ASP 185 Ca -0.16 -0.63 0.40 0.00 -0.52 0.00 0.00 52.55 51.64 1b82 s ASP 185 Cb 0.03 -2.22 2.09 0.00 -1.46 0.00 0.00 42.92 41.36 1b82 s ASP 185 CO 0.81 -0.56 2.23 1.55 0.52 0.00 0.00 175.17 179.72 1b82 h PRO 186 N 8.71 0.00 0.00 4.34 0.13 -1.90 -3.01 132.00 140.26 1b82 h PRO 186 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b82 h PRO 186 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b82 h PRO 186 CO 0.79 0.00 -0.59 1.79 -0.23 0.00 0.00 178.00 179.76 1b82 h THR 187 N 0.00 0.00 -2.61 1.56 1.35 -1.95 -3.47 112.91 107.79 1b82 h THR 187 Ca 0.00 -0.94 -0.11 0.00 -0.55 0.00 0.00 66.41 64.81 1b82 h THR 187 Cb 0.13 1.64 -0.24 0.00 -1.73 0.00 0.00 68.15 67.95 1b82 h THR 187 CO 0.00 0.00 -0.18 0.54 -0.25 0.00 0.00 175.52 175.63 1b82 s VAL 188 N -3.29 -0.00 0.04 6.82 0.11 -1.14 -5.07 120.40 117.87 1b82 s VAL 188 Ca 0.03 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1b82 s VAL 188 Cb 0.08 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1b82 s VAL 188 CO 0.74 0.00 0.01 -1.10 -3.33 0.00 0.00 175.10 171.42 1b82 s GLN 189 N 0.34 2.72 0.00 1.54 -0.21 -1.26 -4.58 119.66 118.20 1b82 s GLN 189 Ca -0.01 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1b82 s GLN 189 Cb -0.04 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.34 1b82 s GLN 189 CO -0.01 0.59 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 1b82 n GLY 190 N 1.00 1.34 3.66 3.09 0.00 -0.18 -4.63 105.19 109.47 1b82 n GLY 190 Ca -0.13 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1b82 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b82 s LEU 191 N 0.00 4.13 0.61 0.99 1.43 -0.82 -0.73 118.68 124.27 1b82 s LEU 191 Ca 0.00 1.14 -0.16 0.00 -1.03 0.00 0.00 54.13 54.09 1b82 s LEU 191 Cb 0.00 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1b82 s LEU 191 CO 0.00 -0.48 1.07 -2.84 0.23 0.00 0.00 176.35 174.33 1b82 s PRO 192 N 2.58 3.19 0.25 1.29 0.02 -1.25 0.09 135.00 141.16 1b82 s PRO 192 Ca 0.38 1.28 0.17 0.00 0.02 0.00 0.00 61.00 62.84 1b82 s PRO 192 Cb -0.16 -2.01 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1b82 s PRO 192 CO 0.09 -0.92 1.33 0.74 -0.33 0.00 0.00 177.00 177.91 1b82 h PHE 193 N 0.39 0.00 -4.16 6.54 0.04 -1.57 -1.58 116.94 116.60 1b82 h PHE 193 Ca -0.47 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 59.89 1b82 h PHE 193 Cb 1.23 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.24 1b82 h PHE 193 CO 0.57 0.43 -0.55 0.16 -0.60 0.00 0.00 178.31 178.32 1b82 s ASP 194 N -6.25 1.45 0.00 2.17 1.47 -1.26 -4.79 116.67 109.46 1b82 s ASP 194 Ca 0.03 -1.58 0.32 0.00 1.18 0.00 0.00 52.55 52.49 1b82 s ASP 194 Cb 0.08 0.42 1.82 0.00 -0.34 0.00 0.00 42.92 44.90 1b82 s ASP 194 CO 0.75 -0.92 2.19 -1.54 0.68 0.00 0.00 175.17 176.33 1b82 n SER 195 N -0.99 0.02 -3.19 2.11 3.41 -1.26 -3.91 113.62 109.81 1b82 n SER 195 Ca 0.02 -0.84 -0.24 0.00 -0.26 0.00 0.00 58.87 57.55 1b82 n SER 195 Cb 0.64 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1b82 n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b82 n THR 196 N -1.04 1.17 0.84 6.66 -2.24 -1.26 -4.95 114.28 113.47 1b82 n THR 196 Ca 0.22 -4.85 0.08 0.00 -2.27 0.00 0.00 64.05 57.23 1b82 n THR 196 Cb 0.14 -1.48 0.44 0.00 -2.10 0.00 0.00 70.33 67.33 1b82 n THR 196 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1b82 n PRO 197 N 0.60 0.28 -0.21 -0.78 -0.04 -1.25 -1.65 135.00 131.95 1b82 n PRO 197 Ca 0.27 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 1b82 n PRO 197 Cb 0.49 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 1b82 n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b82 n GLY 198 N 0.17 1.97 2.98 0.55 0.00 -1.26 -3.97 105.19 105.62 1b82 n GLY 198 Ca 0.09 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1b82 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b82 s ILE 199 N -1.17 1.08 -0.73 -0.61 1.01 -0.66 -3.94 121.20 116.19 1b82 s ILE 199 Ca 0.34 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 1b82 s ILE 199 Cb 0.19 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.70 1b82 s ILE 199 CO 0.26 0.35 1.11 0.12 0.00 0.00 0.00 174.94 176.79 1b82 s PHE 200 N 0.99 2.56 0.06 3.97 5.36 -0.01 -4.61 117.98 126.30 1b82 s PHE 200 Ca -0.08 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1b82 s PHE 200 Cb -0.15 -4.43 -0.00 0.00 -0.34 0.00 0.00 43.02 38.10 1b82 s PHE 200 CO -0.00 -1.81 0.08 -0.40 -1.46 0.00 0.00 175.22 171.63 1b82 n ASP 201 N 8.28 -0.21 -1.55 6.13 5.68 -1.26 -4.38 116.55 129.24 1b82 n ASP 201 Ca 0.03 -1.36 0.08 0.00 -0.50 0.00 0.00 54.79 53.03 1b82 n ASP 201 Cb 0.47 0.41 0.34 0.00 -1.14 0.00 0.00 41.12 41.20 1b82 n ASP 201 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1b82 n SER 202 N -2.29 4.62 0.25 -1.12 7.64 -1.26 -4.45 113.62 117.01 1b82 n SER 202 Ca 0.01 -2.54 0.09 0.00 1.01 0.00 0.00 58.87 57.44 1b82 n SER 202 Cb 0.11 -0.59 0.64 0.00 -1.01 0.00 0.00 64.21 63.36 1b82 n SER 202 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1b82 h GLN 203 N 3.65 0.00 -0.81 1.43 1.08 -1.93 -0.62 115.11 117.91 1b82 h GLN 203 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1b82 h GLN 203 Cb 1.49 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.88 1b82 h GLN 203 CO 0.29 0.10 0.45 0.35 -0.95 0.00 0.00 178.83 179.06 1b82 h PHE 204 N 0.00 1.10 -0.02 2.96 3.57 -1.88 0.25 116.94 122.92 1b82 h PHE 204 Ca -0.00 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1b82 h PHE 204 Cb 0.19 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1b82 h PHE 204 CO 0.00 0.76 -0.71 0.74 -2.23 0.00 0.00 178.31 176.87 1b82 h PHE 205 N 1.12 0.19 0.13 0.41 0.04 -1.46 -2.20 116.94 115.17 1b82 h PHE 205 Ca 0.29 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1b82 h PHE 205 Cb 0.02 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1b82 h PHE 205 CO 0.00 0.80 -0.06 0.28 -0.60 0.00 0.00 178.31 178.73 1b82 h VAL 206 N 0.09 1.04 0.00 -0.55 2.07 -0.63 -3.27 116.25 115.00 1b82 h VAL 206 Ca -0.02 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1b82 h VAL 206 Cb 1.26 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1b82 h VAL 206 CO 0.10 0.21 -0.50 -0.33 0.02 0.00 0.00 177.57 177.07 1b82 h GLU 207 N -0.63 0.00 0.00 1.57 5.08 -0.57 -2.26 114.58 117.77 1b82 h GLU 207 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b82 h GLU 207 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1b82 h GLU 207 CO 0.03 0.50 0.00 1.79 -1.00 0.00 0.00 179.01 180.33 1b82 h THR 208 N 0.00 0.00 0.00 1.13 1.35 -1.53 -2.87 112.91 110.99 1b82 h THR 208 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1b82 h THR 208 Cb 1.12 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1b82 h THR 208 CO 0.06 0.00 -0.19 1.67 -0.25 0.00 0.00 175.52 176.81 1b82 n GLN 209 N -2.54 0.08 -1.94 4.72 -0.06 -0.85 -4.88 117.38 111.91 1b82 n GLN 209 Ca 0.03 0.05 -0.32 0.00 -2.00 0.00 0.00 57.00 54.77 1b82 n GLN 209 Cb 0.36 -1.58 0.01 0.00 -4.06 0.00 0.00 30.24 24.97 1b82 n GLN 209 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1b82 s LEU 210 N -3.44 3.35 0.26 1.69 1.43 -1.08 -0.86 118.68 120.04 1b82 s LEU 210 Ca 0.12 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 1b82 s LEU 210 Cb 0.17 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 1b82 s LEU 210 CO 0.60 -1.06 1.50 -0.13 0.23 0.00 0.00 176.35 177.50 1b82 s ARG 211 N -4.62 4.21 0.04 1.70 0.52 0.40 -4.78 118.95 116.43 1b82 s ARG 211 Ca 0.59 2.40 -0.30 0.00 -0.52 0.00 0.00 55.73 57.90 1b82 s ARG 211 Cb -0.13 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1b82 s ARG 211 CO 0.45 -0.50 1.07 0.20 0.02 0.00 0.00 175.30 176.54 1b82 s GLY 212 N 0.44 2.72 -0.01 -3.53 0.00 -1.26 -4.21 107.32 101.48 1b82 s GLY 212 Ca 0.61 0.68 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1b82 s GLY 212 CO 0.44 1.81 0.08 -1.30 0.00 0.00 0.00 173.10 174.13 1b82 n THR 213 N 3.77 0.02 -3.55 0.90 -2.24 0.80 -4.82 114.28 109.16 1b82 n THR 213 Ca 0.07 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1b82 n THR 213 Cb 0.49 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1b82 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b82 s ALA 214 N -2.25 -1.74 0.16 6.98 0.00 -0.88 -4.95 121.76 119.07 1b82 s ALA 214 Ca -0.01 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 1b82 s ALA 214 Cb 0.02 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.61 1b82 s ALA 214 CO 0.16 -0.78 0.72 -0.06 0.00 0.00 0.00 175.76 175.79 1b82 s PHE 215 N -3.27 3.82 -0.02 0.00 0.08 -1.26 -0.36 117.98 116.98 1b82 s PHE 215 Ca 0.06 1.49 0.22 0.00 0.12 0.00 0.00 56.93 58.82 1b82 s PHE 215 Cb -0.01 -2.67 0.63 0.00 -0.57 0.00 0.00 43.02 40.40 1b82 s PHE 215 CO -0.07 0.49 1.70 -1.00 -0.10 0.00 0.00 175.22 176.24 1b82 h PRO 216 N 4.15 0.00 0.00 0.24 0.13 -1.88 -3.46 132.00 131.18 1b82 h PRO 216 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1b82 h PRO 216 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b82 h PRO 216 CO 0.65 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1b82 n GLY 217 N 0.56 2.77 3.91 1.56 0.00 -1.26 -4.66 105.19 108.07 1b82 n GLY 217 Ca 0.01 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1b82 n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b82 s SER 218 N 1.00 5.87 0.45 1.61 1.04 -1.26 -5.10 113.70 117.31 1b82 s SER 218 Ca 0.00 0.84 0.07 0.00 0.48 0.00 0.00 55.95 57.34 1b82 s SER 218 Cb 0.00 -1.95 -0.01 0.00 0.10 0.00 0.00 66.02 64.16 1b82 s SER 218 CO 0.00 -0.88 0.34 -0.83 0.98 0.00 0.00 173.24 172.85 1b82 s GLY 219 N -4.23 2.24 -1.24 7.32 0.00 -1.26 -4.73 107.32 105.43 1b82 s GLY 219 Ca 0.52 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 1b82 s GLY 219 CO 0.46 -1.82 0.52 0.61 0.00 0.00 0.00 173.10 172.87 1b82 n GLY 220 N -1.54 -0.28 3.81 0.20 0.00 -1.26 -5.01 105.19 101.11 1b82 n GLY 220 Ca 0.01 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1b82 n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b82 s ASN 221 N -2.80 6.71 0.26 1.61 0.01 -1.26 -5.02 114.94 114.45 1b82 s ASN 221 Ca 0.26 0.85 -0.31 0.00 -0.71 0.00 0.00 52.86 52.95 1b82 s ASN 221 Cb -0.11 -2.23 -0.12 0.00 0.41 0.00 0.00 41.25 39.19 1b82 s ASN 221 CO 0.32 0.26 1.63 1.67 -1.51 0.00 0.00 177.10 179.47 1b82 n GLN 222 N 2.29 2.67 -0.95 -0.60 7.27 -1.26 -2.08 117.38 124.71 1b82 n GLN 222 Ca -0.13 0.95 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1b82 n GLN 222 Cb 0.52 -2.75 0.00 0.00 2.41 0.00 0.00 30.24 30.42 1b82 n GLN 222 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b82 n GLY 223 N 2.83 0.85 3.67 1.69 0.00 -1.26 -4.90 105.19 108.07 1b82 n GLY 223 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1b82 n GLY 223 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b82 s GLU 224 N -0.05 2.82 0.34 1.61 2.12 -0.88 -0.77 118.70 123.88 1b82 s GLU 224 Ca 0.00 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.81 1b82 s GLU 224 Cb 0.00 -2.68 -0.06 0.00 0.26 0.00 0.00 34.13 31.65 1b82 s GLU 224 CO 0.00 0.65 0.07 0.14 -0.54 0.00 0.00 175.26 175.58 1b82 s VAL 225 N -1.00 1.07 0.55 3.70 -7.23 -0.62 -4.73 120.40 112.14 1b82 s VAL 225 Ca 0.17 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 1b82 s VAL 225 Cb -0.11 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 1b82 s VAL 225 CO 0.07 0.00 1.23 -1.61 -0.31 0.00 0.00 175.10 174.48 1b82 s GLU 226 N -3.87 3.18 0.42 4.82 2.02 -1.26 -4.25 118.70 119.77 1b82 s GLU 226 Ca 0.34 1.90 0.07 0.00 0.02 0.00 0.00 54.97 57.30 1b82 s GLU 226 Cb 0.08 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1b82 s GLU 226 CO 0.15 -1.06 0.27 -1.54 0.02 0.00 0.00 175.26 173.11 1b82 s SER 227 N -1.41 4.69 0.01 -0.19 1.04 0.52 -4.47 113.70 113.90 1b82 s SER 227 Ca 0.73 -0.95 0.24 0.00 0.48 0.00 0.00 55.95 56.45 1b82 s SER 227 Cb -0.32 -0.47 0.39 0.00 0.10 0.00 0.00 66.02 65.72 1b82 s SER 227 CO 0.36 -0.62 1.33 -0.81 0.98 0.00 0.00 173.24 174.49 1b82 n PRO 228 N -1.39 0.03 -4.12 4.02 -0.04 -1.26 -0.14 135.00 132.10 1b82 n PRO 228 Ca 0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1b82 n PRO 228 Cb 0.63 -1.52 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1b82 n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b82 s LEU 229 N -3.13 2.15 0.32 1.53 1.43 -1.26 -4.78 118.68 114.94 1b82 s LEU 229 Ca 0.10 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 1b82 s LEU 229 Cb 0.17 -0.23 -0.11 0.00 0.03 0.00 0.00 46.19 46.05 1b82 s LEU 229 CO 0.73 -0.08 1.46 -2.16 0.23 0.00 0.00 176.35 176.53 1b82 s PRO 230 N -0.93 4.21 0.00 1.29 0.04 -1.26 -1.99 135.00 136.35 1b82 s PRO 230 Ca -0.04 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1b82 s PRO 230 Cb -0.06 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1b82 s PRO 230 CO 0.00 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1b82 n GLY 231 N 1.33 2.77 3.87 0.56 0.00 -1.26 -1.16 105.19 111.29 1b82 n GLY 231 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1b82 n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b82 s GLU 232 N -0.35 3.66 0.12 1.61 2.12 -0.84 -3.88 118.70 121.14 1b82 s GLU 232 Ca 0.00 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1b82 s GLU 232 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1b82 s GLU 232 CO 0.00 0.67 0.02 -1.50 -0.54 0.00 0.00 175.26 173.91 1b82 s ILE 233 N -1.21 3.99 -0.03 -3.70 2.07 -0.60 -4.44 121.20 117.28 1b82 s ILE 233 Ca 0.25 -1.13 0.03 0.00 -1.41 0.00 0.00 60.65 58.39 1b82 s ILE 233 Cb -0.14 -2.95 0.00 0.00 0.13 0.00 0.00 42.46 39.51 1b82 s ILE 233 CO 0.13 0.02 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.49 1b82 s ARG 234 N -2.59 1.13 0.19 3.50 3.52 -1.26 -4.48 118.95 118.96 1b82 s ARG 234 Ca 0.27 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 1b82 s ARG 234 Cb -0.11 -1.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.22 1b82 s ARG 234 CO 0.19 0.11 0.18 0.96 -0.81 0.00 0.00 175.30 175.94 1b82 s ILE 235 N 0.25 4.60 0.24 4.11 -4.36 -1.26 -1.59 121.20 123.19 1b82 s ILE 235 Ca -0.05 -1.13 -0.05 0.00 -0.26 0.00 0.00 60.65 59.16 1b82 s ILE 235 Cb -0.10 -3.40 0.19 0.00 1.25 0.00 0.00 42.46 40.40 1b82 s ILE 235 CO 0.01 -0.19 1.84 -0.61 0.24 0.00 0.00 174.94 176.23 1b82 h GLN 236 N 2.04 1.15 -0.34 0.37 4.15 -1.04 -1.67 115.11 119.76 1b82 h GLN 236 Ca -0.48 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 58.74 1b82 h GLN 236 Cb 1.21 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1b82 h GLN 236 CO 0.63 0.88 0.09 0.66 -1.93 0.00 0.00 178.83 179.17 1b82 h SER 237 N 1.14 0.50 -0.59 -0.69 4.64 -1.56 -0.10 113.55 116.90 1b82 h SER 237 Ca 0.28 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1b82 h SER 237 Cb 0.11 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1b82 h SER 237 CO -0.04 0.59 0.19 0.44 -0.87 0.00 0.00 176.83 177.15 1b82 h ASP 238 N 0.39 0.86 -0.51 4.97 3.32 -1.83 -0.36 116.42 123.25 1b82 h ASP 238 Ca 0.11 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1b82 h ASP 238 Cb 0.27 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1b82 h ASP 238 CO -0.00 0.83 0.24 -0.74 -1.72 0.00 0.00 179.24 177.85 1b82 h HIS 239 N 0.84 0.43 0.01 4.55 2.76 -0.98 -1.93 115.15 120.83 1b82 h HIS 239 Ca 0.19 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.16 1b82 h HIS 239 Cb 0.28 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1b82 h HIS 239 CO 0.02 0.19 -0.95 1.79 -1.30 0.00 0.00 177.93 177.67 1b82 h THR 240 N 0.46 1.42 -0.18 6.26 1.35 -0.68 -3.04 112.91 118.50 1b82 h THR 240 Ca 0.23 -2.52 -0.09 0.00 -0.55 0.00 0.00 66.41 63.49 1b82 h THR 240 Cb 0.18 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1b82 h THR 240 CO -0.19 0.75 -0.27 0.40 -0.25 0.00 0.00 175.52 175.96 1b82 h ILE 241 N 0.20 1.26 0.00 6.82 2.04 -0.93 -0.23 117.51 126.66 1b82 h ILE 241 Ca -0.08 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1b82 h ILE 241 Cb 1.60 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1b82 h ILE 241 CO 0.16 0.37 -0.03 0.00 0.00 0.00 0.00 178.15 178.65 1b82 h ALA 242 N 1.43 1.03 0.00 1.87 0.00 -1.24 -3.18 119.26 119.17 1b82 h ALA 242 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b82 h ALA 242 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b82 h ALA 242 CO 0.05 0.04 -0.67 0.54 0.00 0.00 0.00 179.25 179.21 1b82 n ARG 243 N -3.17 3.03 -2.03 0.00 1.74 -0.72 -4.45 116.66 111.06 1b82 n ARG 243 Ca -0.00 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1b82 n ARG 243 Cb 0.27 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1b82 n ARG 243 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1b82 s ASP 244 N -2.19 6.10 0.58 0.55 -1.08 -0.18 -4.80 116.67 115.65 1b82 s ASP 244 Ca 0.02 2.63 0.35 0.00 -0.52 0.00 0.00 52.55 55.03 1b82 s ASP 244 Cb 0.07 -2.63 1.75 0.00 -1.46 0.00 0.00 42.92 40.65 1b82 s ASP 244 CO 0.41 -0.99 2.15 0.77 0.52 0.00 0.00 175.17 178.03 1b82 h SER 245 N 2.37 0.00 0.57 -0.34 4.64 -1.91 0.10 113.55 118.98 1b82 h SER 245 Ca -0.50 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.61 1b82 h SER 245 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1b82 h SER 245 CO 0.61 0.05 -0.95 0.03 -0.87 0.00 0.00 176.83 175.70 1b82 h ARG 246 N 0.00 0.24 -0.00 4.77 3.08 -1.93 -3.39 114.38 117.15 1b82 h ARG 246 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1b82 h ARG 246 Cb 0.27 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1b82 h ARG 246 CO 0.01 1.03 -0.02 0.25 -1.07 0.00 0.00 179.97 180.16 1b82 n THR 247 N -3.64 0.00 -0.25 2.04 -2.24 -0.89 -4.79 114.28 104.51 1b82 n THR 247 Ca -0.05 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.20 1b82 n THR 247 Cb 0.85 1.01 0.07 0.00 -2.10 0.00 0.00 70.33 70.16 1b82 n THR 247 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b82 h ALA 248 N 0.11 0.92 -0.20 6.98 0.00 -1.10 0.04 119.26 126.00 1b82 h ALA 248 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1b82 h ALA 248 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1b82 h ALA 248 CO 0.00 0.27 -0.42 0.00 0.00 0.00 0.00 179.25 179.09 1b82 h GLU 250 N 0.38 0.68 -0.42 0.00 4.57 -1.69 -1.58 114.58 116.52 1b82 h GLU 250 Ca 0.03 -0.34 0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1b82 h GLU 250 Cb 0.90 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1b82 h GLU 250 CO 0.08 0.95 0.22 2.35 -1.18 0.00 0.00 179.01 181.43 1b82 h TRP 251 N 0.56 0.42 0.00 0.92 2.91 -0.82 -2.44 115.95 117.50 1b82 h TRP 251 Ca 0.05 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.04 1b82 h TRP 251 Cb 0.90 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.42 1b82 h TRP 251 CO 0.04 0.22 -0.24 0.37 -1.03 0.00 0.00 178.44 177.81 1b82 h GLN 252 N 0.45 0.00 -0.03 2.65 4.15 -1.29 -3.12 115.11 117.92 1b82 h GLN 252 Ca 0.18 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1b82 h GLN 252 Cb 0.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1b82 h GLN 252 CO -0.11 0.24 0.04 0.66 -1.93 0.00 0.00 178.83 177.73 1b82 h SER 253 N 0.00 0.00 1.20 -0.69 4.64 -0.77 -1.82 113.55 116.11 1b82 h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b82 h SER 253 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1b82 h SER 253 CO 0.03 0.00 -0.10 0.49 -0.87 0.00 0.00 176.83 176.38 1b82 n PHE 254 N -3.68 0.53 -2.06 4.77 3.72 -1.18 -4.57 117.46 114.99 1b82 n PHE 254 Ca -0.02 0.15 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1b82 n PHE 254 Cb 0.12 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 37.91 1b82 n PHE 254 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1b82 s VAL 255 N -3.07 3.32 -1.52 -4.37 1.01 -0.69 -1.91 120.40 113.18 1b82 s VAL 255 Ca 0.11 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1b82 s VAL 255 Cb 0.15 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1b82 s VAL 255 CO 0.59 0.00 0.38 -3.20 0.00 0.00 0.00 175.10 172.87 1b82 n ASN 256 N 5.39 -5.49 -3.31 3.32 4.05 -1.26 -4.92 115.26 113.05 1b82 n ASN 256 Ca 0.14 -0.18 -0.25 0.00 0.45 0.00 0.00 54.58 54.74 1b82 n ASN 256 Cb 0.42 -4.50 -0.09 0.00 1.23 0.00 0.00 39.78 36.84 1b82 n ASN 256 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1b82 n ASN 257 N -2.29 -0.43 -0.24 1.20 2.85 -0.80 -4.97 115.26 110.58 1b82 n ASN 257 Ca -0.14 -2.49 -0.06 0.00 -0.11 0.00 0.00 54.58 51.78 1b82 n ASN 257 Cb 0.63 -0.47 0.08 0.00 1.24 0.00 0.00 39.78 41.25 1b82 n ASN 257 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1b82 h GLN 258 N 5.13 1.10 -0.69 1.20 4.15 -1.91 -2.37 115.11 121.73 1b82 h GLN 258 Ca 0.20 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1b82 h GLN 258 Cb 0.91 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1b82 h GLN 258 CO 0.38 0.96 0.20 0.66 -1.93 0.00 0.00 178.83 179.10 1b82 h SER 259 N 1.05 0.99 -0.28 -0.69 4.64 -1.96 -0.13 113.55 117.18 1b82 h SER 259 Ca 0.22 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1b82 h SER 259 Cb 0.33 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1b82 h SER 259 CO -0.00 0.93 -0.53 0.50 -0.87 0.00 0.00 176.83 176.86 1b82 h LYS 260 N 1.02 0.87 -0.04 4.77 3.64 -1.90 -1.09 116.57 123.84 1b82 h LYS 260 Ca 0.22 -0.54 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1b82 h LYS 260 Cb 0.30 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1b82 h LYS 260 CO -0.01 1.18 -0.10 1.25 -2.27 0.00 0.00 179.45 179.50 1b82 h LEU 261 N 0.67 -0.30 -0.37 5.20 5.85 -1.10 -0.59 115.31 124.68 1b82 h LEU 261 Ca 0.02 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1b82 h LEU 261 Cb 1.13 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1b82 h LEU 261 CO 0.12 -0.14 -0.20 -0.37 -0.34 0.00 0.00 178.44 177.51 1b82 h VAL 262 N -0.15 1.28 -0.41 1.05 -1.51 -1.00 -1.43 116.25 114.09 1b82 h VAL 262 Ca 0.05 -1.33 -0.04 0.00 -1.23 0.00 0.00 66.70 64.15 1b82 h VAL 262 Cb 0.22 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 1b82 h VAL 262 CO -0.13 0.44 0.09 0.44 -1.23 0.00 0.00 177.57 177.18 1b82 h ASP 263 N 0.58 0.63 -0.48 4.19 3.32 -1.10 -0.83 116.42 122.73 1b82 h ASP 263 Ca 0.08 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1b82 h ASP 263 Cb 0.75 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1b82 h ASP 263 CO 0.06 0.71 -0.17 0.44 -1.72 0.00 0.00 179.24 178.56 1b82 h ASP 264 N 0.52 0.97 -0.04 6.45 3.32 -1.12 -2.46 116.42 124.07 1b82 h ASP 264 Ca 0.13 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.64 1b82 h ASP 264 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1b82 h ASP 264 CO 0.00 1.13 -0.52 0.15 -1.72 0.00 0.00 179.24 178.29 1b82 h PHE 265 N 0.80 0.75 -0.43 4.55 3.57 -1.17 -1.18 116.94 123.83 1b82 h PHE 265 Ca 0.11 -0.26 0.05 0.00 3.53 0.00 0.00 57.97 61.41 1b82 h PHE 265 Cb 0.73 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1b82 h PHE 265 CO 0.05 1.00 0.16 0.37 -2.23 0.00 0.00 178.31 177.65 1b82 h GLN 266 N 0.47 0.32 -0.13 1.11 4.15 -1.08 -0.48 115.11 119.48 1b82 h GLN 266 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1b82 h GLN 266 Cb 1.06 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1b82 h GLN 266 CO 0.10 0.21 0.04 0.35 -1.93 0.00 0.00 178.83 177.60 1b82 h PHE 267 N 0.32 0.21 -0.10 3.99 3.57 -1.20 -2.81 116.94 120.92 1b82 h PHE 267 Ca 0.20 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 1b82 h PHE 267 Cb 0.19 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1b82 h PHE 267 CO -0.15 0.32 -0.59 0.97 -2.23 0.00 0.00 178.31 176.63 1b82 h ILE 268 N 0.04 1.37 -0.35 1.41 6.09 -1.00 -2.19 117.51 122.87 1b82 h ILE 268 Ca 0.04 -1.93 -0.02 0.00 -1.37 0.00 0.00 64.86 61.58 1b82 h ILE 268 Cb 0.21 1.95 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 1b82 h ILE 268 CO -0.00 0.58 0.15 0.15 -3.07 0.00 0.00 178.15 175.96 1b82 h PHE 269 N 0.24 0.53 -0.59 2.19 3.04 -1.13 -0.96 116.94 120.26 1b82 h PHE 269 Ca -0.00 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1b82 h PHE 269 Cb 1.11 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 1b82 h PHE 269 CO 0.03 0.48 0.35 1.25 -2.02 0.00 0.00 178.31 178.39 1b82 h LEU 270 N 0.42 0.71 -0.68 0.59 5.85 -1.38 -2.08 115.31 118.75 1b82 h LEU 270 Ca 0.12 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1b82 h LEU 270 Cb 0.16 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1b82 h LEU 270 CO -0.01 0.57 0.40 0.00 -0.34 0.00 0.00 178.44 179.06 1b82 h ALA 271 N 1.17 0.90 -0.91 1.25 0.00 -1.11 -2.27 119.26 118.29 1b82 h ALA 271 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1b82 h ALA 271 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1b82 h ALA 271 CO -0.04 0.13 0.59 -0.07 0.00 0.00 0.00 179.25 179.86 1b82 h LEU 272 N 0.77 1.06 -0.53 0.00 3.38 -0.70 -2.30 115.31 116.98 1b82 h LEU 272 Ca 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1b82 h LEU 272 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1b82 h LEU 272 CO -0.14 0.78 0.00 0.35 0.09 0.00 0.00 178.44 179.52 1b82 n THR 273 N -4.43 0.94 0.31 0.22 -2.24 -0.83 -2.04 114.28 106.21 1b82 n THR 273 Ca 0.10 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 1b82 n THR 273 Cb 0.03 -1.17 0.15 0.00 -2.10 0.00 0.00 70.33 67.23 1b82 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b82 n GLN 274 N -2.00 2.06 -1.92 -0.78 6.02 -0.88 -4.77 117.38 115.10 1b82 n GLN 274 Ca 0.02 -1.93 -0.41 0.00 -0.01 0.00 0.00 57.00 54.67 1b82 n GLN 274 Cb 0.19 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1b82 n GLN 274 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1b82 s LEU 275 N -1.29 4.37 0.00 1.08 1.43 -0.86 -1.56 118.68 121.84 1b82 s LEU 275 Ca 0.28 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1b82 s LEU 275 Cb 0.17 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1b82 s LEU 275 CO 0.24 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1b82 n GLY 276 N 1.92 0.88 3.48 -3.19 0.00 -1.26 -0.42 105.19 106.60 1b82 n GLY 276 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1b82 n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b82 s GLN 277 N -0.26 1.67 -0.36 1.61 -1.52 -0.60 -4.92 119.66 115.27 1b82 s GLN 277 Ca 0.00 -1.83 -0.12 0.00 -1.95 0.00 0.00 55.36 51.46 1b82 s GLN 277 Cb 0.00 -1.51 0.01 0.00 -0.22 0.00 0.00 33.01 31.29 1b82 s GLN 277 CO 0.00 0.16 0.23 0.34 -0.25 0.00 0.00 175.29 175.76 1b82 s ASP 278 N -3.51 5.85 0.45 5.90 2.15 -1.26 -4.97 116.67 121.28 1b82 s ASP 278 Ca 0.30 -0.77 0.16 0.00 0.43 0.00 0.00 52.55 52.67 1b82 s ASP 278 Cb 0.01 -2.08 1.09 0.00 -0.30 0.00 0.00 42.92 41.64 1b82 s ASP 278 CO 0.14 -0.34 1.98 -0.65 -0.17 0.00 0.00 175.17 176.14 1b82 h PRO 279 N 8.48 0.33 0.00 4.34 0.11 -1.97 0.22 132.00 143.51 1b82 h PRO 279 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1b82 h PRO 279 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1b82 h PRO 279 CO 0.67 0.22 0.00 -0.91 -0.21 0.00 0.00 178.00 177.76 1b82 h ASN 280 N 0.34 0.00 -0.01 -2.05 2.35 -2.02 -2.46 115.58 111.72 1b82 h ASN 280 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1b82 h ASN 280 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1b82 h ASN 280 CO -0.07 0.00 -0.04 0.00 -1.65 0.00 0.00 177.43 175.67 1b82 n ALA 281 N -2.05 2.59 -2.61 -0.83 0.00 0.06 -4.97 120.51 112.71 1b82 n ALA 281 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 1b82 n ALA 281 Cb 0.26 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1b82 n ALA 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1b82 s MET 282 N -2.05 3.30 -0.12 0.00 -1.94 -0.93 -4.91 119.30 112.64 1b82 s MET 282 Ca 0.31 -0.61 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 1b82 s MET 282 Cb 0.20 -2.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1b82 s MET 282 CO 0.34 0.10 0.02 0.99 -0.01 0.00 0.00 175.02 176.46 1b82 s THR 283 N -2.27 4.49 -0.40 2.05 2.01 -0.66 -4.90 115.64 115.96 1b82 s THR 283 Ca 0.42 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 1b82 s THR 283 Cb -0.10 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1b82 s THR 283 CO 0.34 0.55 0.77 -0.62 -0.69 0.00 0.00 174.62 174.97 1b82 s ASP 284 N -0.38 6.49 -0.28 3.53 -1.08 -1.26 -1.04 116.67 122.64 1b82 s ASP 284 Ca 0.08 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.36 1b82 s ASP 284 Cb -0.12 -2.39 0.48 0.00 -1.46 0.00 0.00 42.92 39.43 1b82 s ASP 284 CO 0.02 -0.79 1.39 0.00 0.52 0.00 0.00 175.17 176.31 1b82 h SER 286 N 1.11 0.00 0.36 0.00 0.02 -1.73 -2.19 113.55 111.12 1b82 h SER 286 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1b82 h SER 286 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1b82 h SER 286 CO 0.34 0.03 0.00 0.47 -1.14 0.00 0.00 176.83 176.53 1b82 n ASP 287 N -3.88 0.05 0.14 3.07 8.00 -1.26 -2.00 116.55 120.67 1b82 n ASP 287 Ca -0.03 0.52 0.04 0.00 0.71 0.00 0.00 54.79 56.03 1b82 n ASP 287 Cb 0.11 -0.53 0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1b82 n ASP 287 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b82 h VAL 288 N 0.00 0.65 -3.34 2.53 2.07 -1.73 -3.46 116.25 112.97 1b82 h VAL 288 Ca 0.00 -1.94 -0.53 0.00 0.82 0.00 0.00 66.70 65.05 1b82 h VAL 288 Cb 0.18 2.27 0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1b82 h VAL 288 CO 0.00 0.37 0.59 -0.63 0.02 0.00 0.00 177.57 177.91 1b82 s ILE 289 N -3.01 3.63 0.74 4.57 -1.09 -0.85 -4.96 121.20 120.22 1b82 s ILE 289 Ca 0.04 1.29 -0.15 0.00 -2.23 0.00 0.00 60.65 59.59 1b82 s ILE 289 Cb 0.07 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1b82 s ILE 289 CO 0.74 0.17 1.25 -2.84 -1.23 0.00 0.00 174.94 173.02 1b82 s PRO 290 N 0.26 2.01 0.18 2.79 0.02 -1.26 -4.92 135.00 134.10 1b82 s PRO 290 Ca 0.56 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 1b82 s PRO 290 Cb -0.33 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1b82 s PRO 290 CO 0.34 -1.96 1.44 -1.14 -0.33 0.00 0.00 177.00 175.34 1b82 s GLN 291 N -3.81 4.29 0.54 5.54 0.74 -1.26 -4.79 119.66 120.91 1b82 s GLN 291 Ca 0.77 2.21 -0.19 0.00 0.05 0.00 0.00 55.36 58.21 1b82 s GLN 291 Cb -0.33 -3.17 -0.06 0.00 1.10 0.00 0.00 33.01 30.55 1b82 s GLN 291 CO 0.46 -0.44 1.09 -1.12 -0.55 0.00 0.00 175.29 174.73 1b82 s SER 292 N 0.74 5.85 0.17 6.67 0.01 -1.26 -4.98 113.70 120.90 1b82 s SER 292 Ca 0.63 2.05 -0.08 0.00 1.31 0.00 0.00 55.95 59.86 1b82 s SER 292 Cb -0.40 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.20 1b82 s SER 292 CO 0.36 -1.13 0.45 -0.54 0.41 0.00 0.00 173.24 172.80 1b82 s LYS 293 N -3.43 3.72 0.75 12.44 1.02 -1.26 -4.98 119.74 128.00 1b82 s LYS 293 Ca 0.70 0.10 -0.11 0.00 0.02 0.00 0.00 55.97 56.68 1b82 s LYS 293 Cb -0.21 -2.78 0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1b82 s LYS 293 CO 0.27 0.41 1.09 -1.25 -0.92 0.00 0.00 175.35 174.96 1b82 s PRO 294 N -2.63 2.52 0.02 -1.68 0.04 -1.26 -0.18 135.00 131.84 1b82 s PRO 294 Ca 0.43 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1b82 s PRO 294 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1b82 s PRO 294 CO 0.22 -1.30 1.09 0.42 0.04 0.00 0.00 177.00 177.47 1b82 s ILE 295 N -3.23 4.47 0.69 0.56 1.01 -1.26 -4.36 121.20 119.08 1b82 s ILE 295 Ca 0.59 1.77 -0.09 0.00 0.00 0.00 0.00 60.65 62.93 1b82 s ILE 295 Cb -0.13 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1b82 s ILE 295 CO 0.53 0.12 1.03 -2.16 0.00 0.00 0.00 174.94 174.47 1b82 s PRO 296 N 1.14 2.57 0.24 2.79 0.04 -1.26 -4.96 135.00 135.57 1b82 s PRO 296 Ca 0.55 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1b82 s PRO 296 Cb -0.25 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1b82 s PRO 296 CO 0.28 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1b82 n GLY 297 N -2.91 -2.46 1.39 0.56 0.00 -1.26 -4.75 105.19 95.76 1b82 n GLY 297 Ca 0.07 -1.86 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1b82 n GLY 297 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b82 n ASN 298 N 0.11 1.28 -4.85 1.61 6.94 -1.26 -5.06 115.26 114.03 1b82 n ASN 298 Ca 0.00 -2.48 -0.32 0.00 -0.02 0.00 0.00 54.58 51.77 1b82 n ASN 298 Cb 0.00 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.02 1b82 n ASN 298 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b82 s LEU 299 N -1.06 3.74 0.76 -4.53 1.43 -1.26 -5.04 118.68 112.72 1b82 s LEU 299 Ca 0.35 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 1b82 s LEU 299 Cb 0.38 -4.31 0.05 0.00 0.03 0.00 0.00 46.19 42.35 1b82 s LEU 299 CO -0.13 -0.48 1.16 -2.16 0.23 0.00 0.00 176.35 174.97 1b82 s PRO 300 N -3.87 2.06 0.17 1.29 0.04 -1.26 -4.92 135.00 128.52 1b82 s PRO 300 Ca 0.56 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 1b82 s PRO 300 Cb -0.10 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1b82 s PRO 300 CO 0.29 -1.86 1.83 0.35 0.04 0.00 0.00 177.00 177.66 1b82 h PHE 301 N -0.62 0.68 -4.21 0.56 3.57 -1.98 -3.42 116.94 111.52 1b82 h PHE 301 Ca -0.46 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.43 1b82 h PHE 301 Cb 1.27 -0.23 -0.26 0.00 2.79 0.00 0.00 35.95 39.53 1b82 h PHE 301 CO 0.50 0.44 -0.86 -1.12 -2.23 0.00 0.00 178.31 175.05 1b82 s SER 302 N -5.71 2.73 0.19 0.41 0.01 -1.26 -4.67 113.70 105.40 1b82 s SER 302 Ca -0.13 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 1b82 s SER 302 Cb 0.12 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.16 1b82 s SER 302 CO 0.75 0.19 0.54 0.72 0.41 0.00 0.00 173.24 175.85 1b82 s PHE 303 N -0.81 -0.21 0.03 2.43 -0.12 -1.26 -4.65 117.98 113.39 1b82 s PHE 303 Ca 0.09 -0.11 -0.21 0.00 -0.05 0.00 0.00 56.93 56.65 1b82 s PHE 303 Cb -0.09 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.67 1b82 s PHE 303 CO 0.02 -0.90 0.60 -0.06 -0.05 0.00 0.00 175.22 174.83 1b82 s PHE 304 N -3.85 3.74 0.88 3.49 0.08 0.14 -4.97 117.98 117.50 1b82 s PHE 304 Ca 0.07 1.26 -0.12 0.00 0.12 0.00 0.00 56.93 58.26 1b82 s PHE 304 Cb -0.01 -2.59 0.09 0.00 -0.57 0.00 0.00 43.02 39.95 1b82 s PHE 304 CO -0.05 0.44 0.96 -2.30 -0.10 0.00 0.00 175.22 174.17 1b82 n PRO 305 N 2.30 -0.20 -1.69 0.24 -0.02 -1.26 -1.89 135.00 132.48 1b82 n PRO 305 Ca -0.08 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 1b82 n PRO 305 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1b82 n PRO 305 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b82 n ALA 306 N -3.72 1.22 -0.24 3.55 0.00 -1.26 -1.88 120.51 118.16 1b82 n ALA 306 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1b82 n ALA 306 Cb 0.52 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1b82 n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b82 n GLY 307 N 0.82 1.03 3.34 0.00 0.00 -1.26 -4.19 105.19 104.93 1b82 n GLY 307 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1b82 n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b82 s LYS 308 N -0.54 1.85 0.20 1.61 -0.14 -0.79 -5.01 119.74 116.91 1b82 s LYS 308 Ca 0.00 -1.09 0.03 0.00 -1.36 0.00 0.00 55.97 53.55 1b82 s LYS 308 Cb 0.00 -1.99 -0.01 0.00 -1.68 0.00 0.00 37.83 34.15 1b82 s LYS 308 CO 0.00 0.52 0.10 0.25 -0.76 0.00 0.00 175.35 175.46 1b82 n THR 309 N 1.85 0.00 0.30 2.17 -2.24 -1.26 -4.73 114.28 110.37 1b82 n THR 309 Ca -0.17 -1.26 0.16 0.00 -2.27 0.00 0.00 64.05 60.51 1b82 n THR 309 Cb 0.52 0.52 0.95 0.00 -2.10 0.00 0.00 70.33 70.22 1b82 n THR 309 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1b82 h ILE 310 N 1.43 0.47 0.00 2.28 6.09 -1.96 -0.88 117.51 124.94 1b82 h ILE 310 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1b82 h ILE 310 Cb 0.63 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.92 1b82 h ILE 310 CO 0.23 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.42 1b82 h LYS 311 N 0.00 0.00 -0.00 2.19 1.57 -2.02 -2.22 116.57 116.08 1b82 h LYS 311 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b82 h LYS 311 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1b82 h LYS 311 CO -0.00 0.00 -0.40 -0.25 -0.57 0.00 0.00 179.45 178.23 1b82 n ASP 312 N -2.79 0.89 -4.71 0.86 8.00 -0.34 -4.89 116.55 113.57 1b82 n ASP 312 Ca 0.00 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 1b82 n ASP 312 Cb 0.22 0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1b82 n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b82 s VAL 313 N -2.71 4.93 -0.84 2.53 1.01 -0.84 -0.45 120.40 124.03 1b82 s VAL 313 Ca 0.18 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.80 1b82 s VAL 313 Cb 0.18 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.48 1b82 s VAL 313 CO 0.61 0.20 1.01 -1.61 0.00 0.00 0.00 175.10 175.31 1b82 s GLU 314 N 0.91 3.47 0.13 2.72 2.02 -0.04 -4.90 118.70 123.02 1b82 s GLU 314 Ca 0.46 -1.68 -0.31 0.00 0.02 0.00 0.00 54.97 53.47 1b82 s GLU 314 Cb -0.20 -4.70 -0.10 0.00 0.10 0.00 0.00 34.13 29.23 1b82 s GLU 314 CO 0.24 -1.69 1.77 -1.14 0.02 0.00 0.00 175.26 174.45 1b82 s GLN 315 N 2.56 4.15 0.00 1.61 2.00 -1.26 -4.86 119.66 123.85 1b82 s GLN 315 Ca 0.27 2.54 0.00 0.00 -2.00 0.00 0.00 55.36 56.17 1b82 s GLN 315 Cb -0.09 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.24 1b82 s GLN 315 CO -0.05 -0.79 0.04 0.00 -0.50 0.00 0.00 175.29 173.99 1b82 n ALA 316 N 5.27 1.68 -2.54 1.58 0.00 -1.26 -5.00 120.51 120.24 1b82 n ALA 316 Ca 0.17 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1b82 n ALA 316 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 1b82 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b82 n ALA 318 N 5.43 1.94 0.48 0.00 0.00 -1.26 -3.61 120.51 123.48 1b82 n ALA 318 Ca -0.09 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1b82 n ALA 318 Cb 0.49 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1b82 n ALA 318 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b82 n GLU 319 N -2.09 2.08 -3.72 0.00 0.28 -1.26 -4.94 120.64 111.00 1b82 n GLU 319 Ca 0.04 -0.03 -0.17 0.00 -0.16 0.00 0.00 57.16 56.84 1b82 n GLU 319 Cb 0.30 -1.18 -0.17 0.00 1.43 0.00 0.00 31.44 31.83 1b82 n GLU 319 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1b82 s THR 320 N -2.42 -0.10 0.52 3.84 2.01 -1.24 -5.14 115.64 113.10 1b82 s THR 320 Ca 0.03 0.32 -0.19 0.00 0.31 0.00 0.00 61.69 62.15 1b82 s THR 320 Cb 0.10 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 72.39 1b82 s THR 320 CO 0.55 0.13 1.06 -2.16 -0.69 0.00 0.00 174.62 173.52 1b82 s PRO 321 N 1.67 3.62 0.17 4.92 0.04 -1.26 -4.65 135.00 139.49 1b82 s PRO 321 Ca -0.02 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.09 1b82 s PRO 321 Cb -0.12 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1b82 s PRO 321 CO -0.03 -0.59 1.71 0.34 0.04 0.00 0.00 177.00 178.47 1b82 n PHE 322 N -1.22 2.58 -1.59 0.56 -0.00 -1.26 -4.89 117.46 111.63 1b82 n PHE 322 Ca 0.10 0.06 -0.39 0.00 -0.00 0.00 0.00 57.45 57.22 1b82 n PHE 322 Cb 0.52 -2.65 0.04 0.00 -0.00 0.00 0.00 39.48 37.39 1b82 n PHE 322 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1b82 n PRO 323 N 4.27 0.93 -2.07 -7.13 -0.02 -1.26 -4.90 135.00 124.82 1b82 n PRO 323 Ca 0.17 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1b82 n PRO 323 Cb 0.33 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1b82 n PRO 323 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1b82 s THR 324 N -1.50 3.47 0.25 3.45 2.01 -1.26 -5.00 115.64 117.06 1b82 s THR 324 Ca 0.72 0.40 0.09 0.00 0.31 0.00 0.00 61.69 63.20 1b82 s THR 324 Cb -0.45 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1b82 s THR 324 CO 0.51 -0.70 0.05 -0.76 -0.69 0.00 0.00 174.62 173.03 1b82 s LEU 325 N 7.76 3.38 0.46 4.42 1.43 -1.26 -5.11 118.68 129.77 1b82 s LEU 325 Ca 0.71 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1b82 s LEU 325 Cb -0.16 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1b82 s LEU 325 CO 0.27 0.00 0.83 0.42 0.23 0.00 0.00 176.35 178.10 1b82 s THR 326 N -2.21 4.77 -0.17 5.49 -4.23 -1.26 -4.79 115.64 113.25 1b82 s THR 326 Ca 0.31 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.40 1b82 s THR 326 Cb -0.07 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1b82 s THR 326 CO 0.21 -0.69 0.00 -0.89 -0.54 0.00 0.00 174.62 172.71 1b82 s THR 327 N -2.58 4.21 0.58 3.99 2.01 -1.26 -0.69 115.64 121.90 1b82 s THR 327 Ca 0.52 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1b82 s THR 327 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1b82 s THR 327 CO 0.37 0.47 1.28 -0.76 -0.69 0.00 0.00 174.62 175.29 1b82 s LEU 328 N 0.44 3.75 0.83 4.42 1.43 -0.79 -4.94 118.68 123.81 1b82 s LEU 328 Ca -0.01 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1b82 s LEU 328 Cb -0.14 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 41.73 1b82 s LEU 328 CO 0.02 -1.62 1.09 -2.16 0.23 0.00 0.00 176.35 173.91 1b82 s PRO 329 N -3.12 1.78 0.92 1.29 0.04 -1.26 -4.13 135.00 130.52 1b82 s PRO 329 Ca 0.75 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1b82 s PRO 329 Cb -0.36 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1b82 s PRO 329 CO 0.40 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1b82 n GLY 330 N -1.21 -1.95 3.78 0.56 0.00 -1.26 -4.77 105.19 100.34 1b82 n GLY 330 Ca 0.08 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1b82 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b82 s PRO 331 N 0.00 3.00 0.31 1.61 0.04 -1.26 -4.19 135.00 134.51 1b82 s PRO 331 Ca 0.00 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 1b82 s PRO 331 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1b82 s PRO 331 CO 0.00 -1.08 1.47 -2.00 0.04 0.00 0.00 177.00 175.43 1b82 s GLU 332 N -4.12 4.20 0.14 4.56 2.12 -1.26 -4.75 118.70 119.58 1b82 s GLU 332 Ca 0.65 2.43 0.06 0.00 0.36 0.00 0.00 54.97 58.48 1b82 s GLU 332 Cb -0.19 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1b82 s GLU 332 CO 0.40 -0.46 -0.14 -0.08 -0.54 0.00 0.00 175.26 174.44 1b82 s THR 333 N -0.54 1.41 0.47 -1.70 -1.32 -1.26 -5.06 115.64 107.64 1b82 s THR 333 Ca 0.56 -1.82 -0.19 0.00 -1.21 0.00 0.00 61.69 59.03 1b82 s THR 333 Cb -0.44 -1.65 -0.10 0.00 -1.51 0.00 0.00 72.50 68.80 1b82 s THR 333 CO 0.52 -0.46 0.97 -0.44 -2.21 0.00 0.00 174.62 173.00 1b82 s SER 334 N -2.64 6.76 -0.06 8.08 0.01 -1.26 -4.66 113.70 119.93 1b82 s SER 334 Ca 0.12 1.67 -0.26 0.00 1.31 0.00 0.00 55.95 58.79 1b82 s SER 334 Cb -0.04 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1b82 s SER 334 CO 0.04 -0.49 0.81 -0.69 0.41 0.00 0.00 173.24 173.32 1b82 s VAL 335 N -2.31 4.97 0.34 3.43 1.01 -0.31 -4.98 120.40 122.55 1b82 s VAL 335 Ca 0.61 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 63.99 1b82 s VAL 335 Cb -0.10 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1b82 s VAL 335 CO 0.20 0.19 1.11 -1.10 0.00 0.00 0.00 175.10 175.49 1b82 s GLN 336 N 1.07 4.37 0.59 2.72 -1.52 -1.26 -4.49 119.66 121.14 1b82 s GLN 336 Ca 0.42 1.74 -0.14 0.00 -1.95 0.00 0.00 55.36 55.43 1b82 s GLN 336 Cb -0.19 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.66 1b82 s GLN 336 CO 0.20 -0.01 1.02 -0.98 -0.25 0.00 0.00 175.29 175.27 1b82 s ARG 337 N -1.94 3.61 -0.49 2.91 1.70 -1.26 -4.72 118.95 118.77 1b82 s ARG 337 Ca 0.51 0.92 -0.02 0.00 -0.47 0.00 0.00 55.73 56.66 1b82 s ARG 337 Cb -0.29 -2.08 0.13 0.00 -0.57 0.00 0.00 34.95 32.13 1b82 s ARG 337 CO 0.37 -0.55 0.28 0.42 -1.08 0.00 0.00 175.30 174.74 1b82 s ILE 338 N -2.85 3.35 0.17 4.99 1.01 0.09 -5.03 121.20 122.92 1b82 s ILE 338 Ca 0.58 -2.46 -0.32 0.00 0.00 0.00 0.00 60.65 58.46 1b82 s ILE 338 Cb -0.12 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 1b82 s ILE 338 CO 0.43 -0.76 1.68 -2.84 0.00 0.00 0.00 174.94 173.45 1b82 s PRO 339 N 0.63 4.16 0.61 2.79 0.02 -1.26 -4.09 135.00 137.85 1b82 s PRO 339 Ca 0.12 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1b82 s PRO 339 Cb -0.22 -3.23 0.04 0.00 0.02 0.00 0.00 34.50 31.11 1b82 s PRO 339 CO -0.04 -0.71 0.87 -1.25 -0.33 0.00 0.00 177.00 175.53 1b82 s PRO 340 N 1.54 2.43 0.80 5.54 0.04 -1.26 -4.82 135.00 139.28 1b82 s PRO 340 Ca 0.74 -0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 1b82 s PRO 340 Cb -0.46 -2.36 0.07 0.00 0.04 0.00 0.00 34.50 31.79 1b82 s PRO 340 CO 0.32 -0.90 1.10 -2.14 0.04 0.00 0.00 177.00 175.42 1b82 s PRO 341 N -4.95 2.03 0.30 0.56 0.02 -1.26 -4.95 135.00 126.76 1b82 s PRO 341 Ca 0.58 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.53 1b82 s PRO 341 Cb -0.10 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 1b82 s PRO 341 CO 0.41 -1.82 1.28 -2.30 -0.33 0.00 0.00 177.00 174.24 1b82 n PRO 342 N -3.65 1.97 -0.25 5.54 -0.02 -1.26 -2.81 135.00 134.52 1b82 n PRO 342 Ca 0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1b82 n PRO 342 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1b82 n PRO 342 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b82 n GLY 343 N 1.27 0.75 0.00 -1.23 0.00 -1.26 -4.92 105.19 99.80 1b82 n GLY 343 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1b82 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32