#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8p s LEU 1 N 0.00 3.70 0.12 0.99 1.43 -1.26 -3.00 118.68 120.66 2b8p s LEU 1 Ca 0.00 2.21 -0.06 0.00 -1.03 0.00 0.00 54.13 55.25 2b8p s LEU 1 Cb 0.00 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 2b8p s LEU 1 CO 0.00 -1.34 0.15 -1.10 0.23 0.00 0.00 176.35 174.29 2b8p s GLN 2 N -3.36 0.92 -0.05 1.70 -0.21 -0.40 -4.87 119.66 113.39 2b8p s GLN 2 Ca 0.73 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.96 2b8p s GLN 2 Cb -0.25 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.07 2b8p s GLN 2 CO 0.29 -0.29 -0.14 1.03 -2.12 0.00 0.00 175.29 174.07 2b8p s ARG 3 N -3.95 1.62 0.17 2.91 0.52 -1.26 -2.04 118.95 116.93 2b8p s ARG 3 Ca 0.14 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2b8p s ARG 3 Cb 0.05 -1.38 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 2b8p s ARG 3 CO -0.04 0.12 -0.12 -0.08 0.02 0.00 0.00 175.30 175.20 2b8p s THR 4 N 0.35 1.41 -0.13 0.02 -1.32 -0.58 -4.80 115.64 110.59 2b8p s THR 4 Ca -0.09 -2.12 -0.06 0.00 -1.21 0.00 0.00 61.69 58.22 2b8p s THR 4 Cb -0.13 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 2b8p s THR 4 CO 0.03 -0.68 0.08 -0.22 -2.21 0.00 0.00 174.62 171.62 2b8p s LEU 5 N -3.22 4.03 -0.01 9.08 2.96 -1.26 -1.38 118.68 128.87 2b8p s LEU 5 Ca 0.19 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2b8p s LEU 5 Cb 0.01 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2b8p s LEU 5 CO 0.03 0.34 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.59 2b8p s VAL 6 N -0.65 0.99 -0.09 1.68 1.01 0.10 -1.87 120.40 121.58 2b8p s VAL 6 Ca 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2b8p s VAL 6 Cb -0.12 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 2b8p s VAL 6 CO 0.02 0.28 -0.24 -0.76 0.00 0.00 0.00 175.10 174.41 2b8p s LEU 7 N -0.23 2.09 -0.40 3.92 1.43 -0.13 -0.39 118.68 124.97 2b8p s LEU 7 Ca 0.04 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2b8p s LEU 7 Cb -0.06 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.81 2b8p s LEU 7 CO -0.00 0.18 0.26 -0.63 0.23 0.00 0.00 176.35 176.39 2b8p s ILE 8 N 0.21 4.61 0.72 -0.59 1.01 0.03 -1.41 121.20 125.78 2b8p s ILE 8 Ca -0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 2b8p s ILE 8 Cb -0.17 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.66 2b8p s ILE 8 CO 0.08 -0.38 1.09 -0.54 0.00 0.00 0.00 174.94 175.19 2b8p s LYS 9 N 1.54 2.52 0.46 2.79 1.02 -0.53 -2.30 119.74 125.24 2b8p s LYS 9 Ca 0.03 1.23 0.27 0.00 0.02 0.00 0.00 55.97 57.52 2b8p s LYS 9 Cb -0.21 -1.93 1.32 0.00 -0.52 0.00 0.00 37.83 36.49 2b8p s LYS 9 CO 0.05 -1.44 1.76 -1.35 -0.92 0.00 0.00 175.35 173.45 2b8p h PRO 10 N -0.66 0.20 -0.12 -1.68 0.11 -1.79 -0.39 132.00 127.66 2b8p h PRO 10 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2b8p h PRO 10 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2b8p h PRO 10 CO 0.53 0.13 -0.27 0.38 -0.21 0.00 0.00 178.00 178.56 2b8p h ASP 11 N 0.20 0.22 -0.83 -2.05 2.03 -1.91 -1.71 116.42 112.37 2b8p h ASP 11 Ca 0.62 -0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 56.84 2b8p h ASP 11 Cb 1.96 -0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 40.36 2b8p h ASP 11 CO -0.20 0.49 0.48 0.00 -1.03 0.00 0.00 179.24 178.98 2b8p h ALA 12 N 1.53 1.26 -0.21 4.15 0.00 -1.33 0.65 119.26 125.31 2b8p h ALA 12 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2b8p h ALA 12 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2b8p h ALA 12 CO 0.04 0.61 -0.08 0.74 0.00 0.00 0.00 179.25 180.57 2b8p h PHE 13 N 1.17 0.48 -0.78 0.00 -1.00 -1.42 0.34 116.94 115.74 2b8p h PHE 13 Ca 0.30 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.96 2b8p h PHE 13 Cb -0.00 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 2b8p h PHE 13 CO 0.01 0.69 0.47 1.49 -1.61 0.00 0.00 178.31 179.36 2b8p h GLU 14 N 0.13 1.04 -0.21 1.51 4.22 -0.97 -2.27 114.58 118.03 2b8p h GLU 14 Ca 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2b8p h GLU 14 Cb 0.55 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2b8p h GLU 14 CO 0.03 0.73 0.00 0.54 -2.18 0.00 0.00 179.01 178.12 2b8p n ARG 15 N -4.39 1.99 -3.56 1.92 1.74 0.19 -4.95 116.66 109.59 2b8p n ARG 15 Ca 0.08 -1.49 -0.24 0.00 -0.77 0.00 0.00 57.85 55.43 2b8p n ARG 15 Cb 0.06 -1.44 0.08 0.00 -1.02 0.00 0.00 32.46 30.14 2b8p n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2b8p n SER 16 N 0.72 -6.39 -0.71 0.55 7.64 -0.11 -4.91 113.62 110.40 2b8p n SER 16 Ca 0.17 -0.52 0.06 0.00 1.01 0.00 0.00 58.87 59.59 2b8p n SER 16 Cb 0.43 -5.04 0.18 0.00 -1.01 0.00 0.00 64.21 58.78 2b8p n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2b8p n LEU 17 N -4.96 3.22 0.28 -3.43 4.77 0.10 -4.70 117.00 112.28 2b8p n LEU 17 Ca 0.00 -2.32 -0.16 0.00 -0.03 0.00 0.00 56.01 53.50 2b8p n LEU 17 Cb 0.56 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2b8p n LEU 17 CO 0.64 0.71 0.68 0.58 -1.33 0.00 0.00 177.39 178.66 2b8p h VAL 18 N 1.93 0.41 -0.56 4.08 2.07 -1.91 -1.34 116.25 120.92 2b8p h VAL 18 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2b8p h VAL 18 Cb 0.96 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2b8p h VAL 18 CO 0.07 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.99 2b8p h ALA 19 N -0.24 0.72 -0.64 1.67 0.00 -1.94 -1.59 119.26 117.23 2b8p h ALA 19 Ca -0.06 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2b8p h ALA 19 Cb 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2b8p h ALA 19 CO 0.06 0.22 0.42 1.49 0.00 0.00 0.00 179.25 181.44 2b8p h GLU 20 N 0.76 0.66 0.05 0.00 4.57 -1.83 0.25 114.58 119.04 2b8p h GLU 20 Ca 0.20 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 2b8p h GLU 20 Cb 0.02 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2b8p h GLU 20 CO -0.03 0.43 -0.48 0.82 -1.18 0.00 0.00 179.01 178.57 2b8p h ILE 21 N 0.68 1.56 -0.27 2.32 2.04 -0.86 -3.11 117.51 119.86 2b8p h ILE 21 Ca 0.27 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 63.81 2b8p h ILE 21 Cb 0.21 3.02 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 2b8p h ILE 21 CO -0.08 0.63 -0.05 0.24 0.00 0.00 0.00 178.15 178.89 2b8p h MET 22 N -0.47 0.42 -0.66 2.37 2.86 -1.07 -2.80 114.93 115.58 2b8p h MET 22 Ca -0.07 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2b8p h MET 22 Cb 1.30 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 2b8p h MET 22 CO 0.09 0.49 0.32 0.78 1.06 0.00 0.00 176.91 179.65 2b8p h GLY 23 N 0.79 1.02 1.28 8.32 0.00 -0.55 0.85 103.07 114.77 2b8p h GLY 23 Ca 0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2b8p h GLY 23 CO 0.01 0.48 0.29 3.21 0.00 0.00 0.00 176.54 180.54 2b8p h ARG 24 N 0.91 0.94 -0.18 4.80 3.08 -1.42 0.25 114.38 122.75 2b8p h ARG 24 Ca 0.23 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2b8p h ARG 24 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2b8p h ARG 24 CO -0.03 0.74 -0.36 0.82 -1.07 0.00 0.00 179.97 180.06 2b8p h ILE 25 N 0.93 1.34 -0.26 2.04 2.04 -1.35 -2.99 117.51 119.25 2b8p h ILE 25 Ca 0.23 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.49 2b8p h ILE 25 Cb 0.13 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2b8p h ILE 25 CO -0.03 0.49 0.16 -0.08 0.00 0.00 0.00 178.15 178.70 2b8p h GLU 26 N 0.23 0.32 0.00 2.37 4.81 -0.34 -2.10 114.58 119.87 2b8p h GLU 26 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2b8p h GLU 26 Cb 0.96 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2b8p h GLU 26 CO 0.08 0.21 0.00 0.87 -0.73 0.00 0.00 179.01 179.44 2b8p h LYS 27 N 0.33 0.00 -0.01 1.92 1.57 -0.54 0.22 116.57 120.05 2b8p h LYS 27 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2b8p h LYS 27 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2b8p h LYS 27 CO -0.04 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.01 2b8p n LYS 28 N -2.62 1.41 -1.74 3.15 3.00 -0.80 -4.92 118.16 115.65 2b8p n LYS 28 Ca -0.01 -0.60 -0.02 0.00 -0.00 0.00 0.00 58.31 57.68 2b8p n LYS 28 Cb 0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 35.03 33.67 2b8p n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2b8p n ASN 29 N -0.27 -2.01 -4.86 3.14 4.05 0.77 -5.06 115.26 111.02 2b8p n ASN 29 Ca 0.21 0.01 -0.37 0.00 0.45 0.00 0.00 54.58 54.88 2b8p n ASN 29 Cb 0.26 -0.92 -0.06 0.00 1.23 0.00 0.00 39.78 40.29 2b8p n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2b8p s PHE 30 N -2.09 3.66 0.05 1.20 0.40 -1.19 -4.91 117.98 115.09 2b8p s PHE 30 Ca 0.00 0.81 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 2b8p s PHE 30 Cb 0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2b8p s PHE 30 CO 0.00 0.65 0.13 0.15 0.70 0.00 0.00 175.22 176.84 2b8p s LYS 31 N -1.25 3.12 -0.27 0.44 -0.14 -0.45 -4.49 119.74 116.71 2b8p s LYS 31 Ca 0.23 -0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 54.04 2b8p s LYS 31 Cb -0.15 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 2b8p s LYS 31 CO 0.12 0.60 0.87 0.42 -0.76 0.00 0.00 175.35 176.61 2b8p s ILE 32 N -1.38 4.77 -0.19 2.17 1.01 -1.26 0.03 121.20 126.35 2b8p s ILE 32 Ca 0.30 1.55 -0.12 0.00 0.00 0.00 0.00 60.65 62.37 2b8p s ILE 32 Cb -0.12 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 37.95 2b8p s ILE 32 CO 0.22 -0.18 0.14 0.52 0.00 0.00 0.00 174.94 175.64 2b8p n VAL 33 N 5.41 1.63 -3.98 2.92 0.31 0.51 -4.95 118.33 120.18 2b8p n VAL 33 Ca 0.07 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2b8p n VAL 33 Cb 0.47 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 31.47 2b8p n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2b8p s SER 34 N -6.98 0.23 -0.19 4.52 0.01 -1.17 -4.98 113.70 105.15 2b8p s SER 34 Ca -0.28 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 2b8p s SER 34 Cb 0.08 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.46 2b8p s SER 34 CO 0.65 -0.30 0.49 -0.32 0.41 0.00 0.00 173.24 174.17 2b8p s MET 35 N -1.44 0.53 -0.02 12.44 0.00 -1.26 -0.93 119.30 128.62 2b8p s MET 35 Ca -0.16 0.77 0.01 0.00 0.00 0.00 0.00 55.69 56.31 2b8p s MET 35 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 34.83 34.92 2b8p s MET 35 CO -0.01 -0.10 -0.01 0.21 0.00 0.00 0.00 175.02 175.11 2b8p s LYS 36 N 0.75 0.24 -0.20 4.11 2.36 -0.45 -5.01 119.74 121.54 2b8p s LYS 36 Ca -0.04 0.03 -0.07 0.00 -2.55 0.00 0.00 55.97 53.33 2b8p s LYS 36 Cb -0.05 -0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 36.33 2b8p s LYS 36 CO -0.06 -0.07 0.07 0.12 1.55 0.00 0.00 175.35 176.96 2b8p s PHE 37 N 0.66 3.20 -0.30 4.03 5.36 -1.26 -1.41 117.98 128.25 2b8p s PHE 37 Ca -0.06 -0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 2b8p s PHE 37 Cb -0.09 -2.13 0.06 0.00 -0.34 0.00 0.00 43.02 40.52 2b8p s PHE 37 CO -0.01 0.01 -0.00 -1.58 -1.46 0.00 0.00 175.22 172.18 2b8p s TRP 38 N 0.74 3.33 0.28 10.12 0.51 0.14 -4.95 118.94 129.11 2b8p s TRP 38 Ca 0.04 -2.11 -0.01 0.00 -2.12 0.00 0.00 56.10 51.90 2b8p s TRP 38 Cb -0.13 -2.23 0.47 0.00 -0.81 0.00 0.00 33.47 30.77 2b8p s TRP 38 CO 0.02 -0.85 1.90 0.66 -0.51 0.00 0.00 176.95 178.17 2b8p h SER 39 N 7.92 0.97 -1.42 2.95 4.64 -1.91 0.66 113.55 127.36 2b8p h SER 39 Ca -0.19 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 2b8p h SER 39 Cb 1.05 -0.20 -0.25 0.00 -0.31 0.00 0.00 62.40 62.69 2b8p h SER 39 CO 0.53 0.62 -0.50 -0.75 -0.87 0.00 0.00 176.83 175.86 2b8p s LYS 40 N -5.97 0.56 0.40 4.77 2.20 -1.26 -2.35 119.74 118.09 2b8p s LYS 40 Ca -0.12 0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.26 2b8p s LYS 40 Cb 0.20 -0.14 -0.11 0.00 -1.51 0.00 0.00 37.83 36.27 2b8p s LYS 40 CO 0.81 -1.09 1.07 0.00 -0.36 0.00 0.00 175.35 175.77 2b8p n ALA 41 N 5.04 0.37 -2.10 3.13 0.00 -1.26 -4.88 120.51 120.82 2b8p n ALA 41 Ca 0.05 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2b8p n ALA 41 Cb 0.51 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 2b8p n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b8p s PRO 42 N -1.98 4.28 0.29 0.00 0.04 -1.26 -4.84 135.00 131.54 2b8p s PRO 42 Ca 0.62 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.85 2b8p s PRO 42 Cb -0.57 -3.29 0.73 0.00 0.04 0.00 0.00 34.50 31.42 2b8p s PRO 42 CO 0.58 -0.52 1.72 -0.09 0.04 0.00 0.00 177.00 178.73 2b8p h ARG 43 N 7.04 0.47 -0.42 4.56 2.43 -1.97 0.50 114.38 126.99 2b8p h ARG 43 Ca -0.42 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2b8p h ARG 43 Cb 1.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2b8p h ARG 43 CO 0.89 0.31 0.17 -0.91 -1.51 0.00 0.00 179.97 178.91 2b8p h ASN 44 N 0.49 0.53 -0.21 -3.80 2.35 -1.99 0.27 115.58 113.22 2b8p h ASN 44 Ca 0.56 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 56.14 2b8p h ASN 44 Cb 1.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2b8p h ASN 44 CO -0.49 0.49 -0.28 0.25 -1.65 0.00 0.00 177.43 175.75 2b8p h LEU 45 N 0.59 0.72 -0.52 1.61 5.85 -1.30 -2.44 115.31 119.82 2b8p h LEU 45 Ca 0.15 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 2b8p h LEU 45 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2b8p h LEU 45 CO -0.01 0.96 -0.14 0.40 -0.34 0.00 0.00 178.44 179.31 2b8p h ILE 46 N 0.60 1.27 0.00 4.05 1.08 -0.66 -2.97 117.51 120.88 2b8p h ILE 46 Ca 0.07 -1.30 -0.08 0.00 -0.39 0.00 0.00 64.86 63.17 2b8p h ILE 46 Cb 0.79 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2b8p h ILE 46 CO 0.06 0.45 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.28 2b8p h GLU 47 N 0.88 0.00 -0.01 2.37 5.08 -0.83 -1.64 114.58 120.43 2b8p h GLU 47 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 2b8p h GLU 47 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2b8p h GLU 47 CO 0.05 0.37 -0.83 1.96 -1.00 0.00 0.00 179.01 179.56 2b8p h GLN 48 N 0.00 0.17 -0.28 2.33 4.20 -1.38 -1.75 115.11 118.40 2b8p h GLN 48 Ca -0.00 -0.18 -0.19 0.00 0.06 0.00 0.00 58.65 58.34 2b8p h GLN 48 Cb 0.84 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2b8p h GLN 48 CO 0.05 0.91 -0.55 1.25 -0.67 0.00 0.00 178.83 179.81 2b8p h HIS 49 N 0.10 1.08 -0.49 2.96 2.76 -1.33 -3.21 115.15 117.02 2b8p h HIS 49 Ca -0.03 -0.39 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 2b8p h HIS 49 Cb 1.45 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 2b8p h HIS 49 CO 0.02 1.21 0.05 0.66 -1.30 0.00 0.00 177.93 178.58 2b8p n TYR 50 N -4.00 1.74 0.28 5.26 4.01 -0.64 -4.67 117.16 119.13 2b8p n TYR 50 Ca -0.04 -0.91 0.18 0.00 -0.16 0.00 0.00 57.90 56.96 2b8p n TYR 50 Cb 0.63 -0.48 0.96 0.00 -0.31 0.00 0.00 39.34 40.13 2b8p n TYR 50 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 2b8p h LYS 51 N 2.87 0.00 0.00 -0.72 2.10 -1.32 -0.77 116.57 118.73 2b8p h LYS 51 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2b8p h LYS 51 Cb 1.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 2b8p h LYS 51 CO 0.45 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.29 2b8p n GLU 52 N -3.59 0.26 -0.11 0.07 1.02 -1.26 -2.23 120.64 114.79 2b8p n GLU 52 Ca -0.02 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2b8p n GLU 52 Cb 0.17 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.21 2b8p n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2b8p n HIS 53 N -1.34 0.30 -0.38 -0.32 8.25 -0.30 -4.69 115.22 116.74 2b8p n HIS 53 Ca 0.10 -0.31 0.38 0.00 -0.26 0.00 0.00 57.72 57.63 2b8p n HIS 53 Cb 0.21 -0.02 0.76 0.00 1.12 0.00 0.00 29.99 32.06 2b8p n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2b8p h SER 54 N 2.16 0.00 -0.73 0.41 0.87 -1.46 0.14 113.55 114.94 2b8p h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b8p h SER 54 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2b8p h SER 54 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 2b8p n GLU 55 N -4.08 2.79 -3.97 2.24 -0.58 -1.26 -4.97 120.64 110.81 2b8p n GLU 55 Ca 0.29 -2.67 -0.26 0.00 -0.42 0.00 0.00 57.16 54.09 2b8p n GLU 55 Cb 1.40 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 30.65 2b8p n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2b8p s GLN 56 N -1.04 3.36 0.15 3.49 -0.21 0.48 -5.05 119.66 120.84 2b8p s GLN 56 Ca 0.49 -0.65 -0.22 0.00 0.02 0.00 0.00 55.36 55.00 2b8p s GLN 56 Cb 0.26 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 31.39 2b8p s GLN 56 CO 0.33 0.51 1.63 0.77 -2.12 0.00 0.00 175.29 176.41 2b8p h SER 57 N 2.12 -0.78 -0.10 5.90 0.02 -1.94 -2.70 113.55 116.08 2b8p h SER 57 Ca -0.49 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2b8p h SER 57 Cb 1.20 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2b8p h SER 57 CO 0.67 -0.27 0.00 -1.22 -1.14 0.00 0.00 176.83 174.87 2b8p n TYR 58 N -5.38 0.13 -0.08 3.45 4.01 -1.26 -4.34 117.16 113.68 2b8p n TYR 58 Ca -0.00 -0.06 -0.07 0.00 -0.16 0.00 0.00 57.90 57.60 2b8p n TYR 58 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2b8p n TYR 58 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2b8p h PHE 59 N 0.80 -0.53 -0.69 -0.72 3.04 -1.73 0.13 116.94 117.24 2b8p h PHE 59 Ca 0.00 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 2b8p h PHE 59 Cb 0.18 0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 2b8p h PHE 59 CO 0.06 -0.28 0.23 -0.91 -2.02 0.00 0.00 178.31 175.39 2b8p h ASN 60 N -0.17 1.00 -0.15 0.41 2.35 -1.82 -1.35 115.58 115.85 2b8p h ASN 60 Ca 0.17 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2b8p h ASN 60 Cb 0.42 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2b8p h ASN 60 CO -0.42 0.93 0.03 0.44 -1.65 0.00 0.00 177.43 176.75 2b8p h ASP 61 N 1.01 0.23 -0.86 5.81 3.32 -1.72 0.38 116.42 124.59 2b8p h ASP 61 Ca 0.23 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2b8p h ASP 61 Cb 0.28 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2b8p h ASP 61 CO -0.01 0.42 0.57 -1.13 -1.72 0.00 0.00 179.24 177.37 2b8p h ASN 62 N 0.03 0.89 -0.31 6.45 -0.00 -0.69 0.25 115.58 122.20 2b8p h ASN 62 Ca 0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.29 2b8p h ASN 62 Cb 0.29 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 2b8p h ASN 62 CO 0.00 0.59 -0.00 0.00 -0.00 0.00 0.00 177.43 178.02 2b8p h ASP 64 N 0.34 0.59 -0.24 0.00 3.32 0.11 -2.65 116.42 117.89 2b8p h ASP 64 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2b8p h ASP 64 Cb 0.44 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2b8p h ASP 64 CO 0.02 0.42 0.14 0.15 -1.72 0.00 0.00 179.24 178.24 2b8p h PHE 65 N 0.72 0.33 0.00 4.55 -0.00 -0.40 -2.08 116.94 120.05 2b8p h PHE 65 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.20 2b8p h PHE 65 Cb 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 35.85 2b8p h PHE 65 CO -0.05 0.27 0.00 -1.33 -0.00 0.00 0.00 178.31 177.19 2b8p n MET 66 N -4.87 0.03 -0.02 1.11 2.81 -0.25 -1.60 117.12 114.32 2b8p n MET 66 Ca -0.03 0.35 0.02 0.00 -1.81 0.00 0.00 57.70 56.23 2b8p n MET 66 Cb 0.06 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.10 2b8p n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2b8p n VAL 67 N -1.43 0.26 1.20 2.03 0.31 -0.92 -4.61 118.33 115.16 2b8p n VAL 67 Ca 0.02 -0.63 0.13 0.00 -0.01 0.00 0.00 64.34 63.85 2b8p n VAL 67 Cb 0.06 0.92 0.44 0.00 -0.91 0.00 0.00 33.84 34.36 2b8p n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2b8p n SER 68 N 0.11 0.60 -3.50 4.52 3.41 -0.63 -4.84 113.62 113.28 2b8p n SER 68 Ca 0.03 -0.46 -0.09 0.00 -0.26 0.00 0.00 58.87 58.08 2b8p n SER 68 Cb 0.15 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2b8p n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2b8p s GLY 69 N -2.69 0.41 0.97 5.00 0.00 -1.26 -5.08 107.32 104.67 2b8p s GLY 69 Ca 0.21 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 2b8p s GLY 69 CO 0.56 -0.40 1.09 2.56 0.00 0.00 0.00 173.10 176.91 2b8p s PRO 70 N -3.29 0.62 0.04 2.90 0.04 -0.99 -4.53 135.00 129.79 2b8p s PRO 70 Ca 0.18 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 2b8p s PRO 70 Cb -0.04 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2b8p s PRO 70 CO 0.11 -2.75 0.07 0.42 0.04 0.00 0.00 177.00 174.88 2b8p s ILE 71 N -2.71 0.15 -0.04 0.56 1.01 0.23 -2.86 121.20 117.54 2b8p s ILE 71 Ca 0.66 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2b8p s ILE 71 Cb -0.21 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2b8p s ILE 71 CO 0.59 -0.66 -0.11 -0.63 0.00 0.00 0.00 174.94 174.13 2b8p s ILE 72 N -2.79 0.97 -0.14 2.92 1.01 -0.97 0.24 121.20 122.43 2b8p s ILE 72 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2b8p s ILE 72 Cb -0.00 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 2b8p s ILE 72 CO -0.06 0.30 -0.16 -0.94 0.00 0.00 0.00 174.94 174.09 2b8p s SER 73 N 0.31 3.67 0.05 3.58 1.04 -0.50 -0.79 113.70 121.07 2b8p s SER 73 Ca -0.06 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 55.98 2b8p s SER 73 Cb -0.11 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.43 2b8p s SER 73 CO 0.01 0.12 -0.15 -0.63 0.98 0.00 0.00 173.24 173.57 2b8p s ILE 74 N 0.63 1.21 -0.34 -1.02 1.01 0.47 -1.34 121.20 121.82 2b8p s ILE 74 Ca -0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.45 2b8p s ILE 74 Cb -0.16 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.28 2b8p s ILE 74 CO 0.03 -0.00 0.07 -0.69 0.00 0.00 0.00 174.94 174.35 2b8p s VAL 75 N -0.91 3.12 0.20 2.92 1.01 -0.11 0.02 120.40 126.65 2b8p s VAL 75 Ca 0.02 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 2b8p s VAL 75 Cb -0.08 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2b8p s VAL 75 CO 0.02 -0.31 0.48 -0.31 0.00 0.00 0.00 175.10 174.98 2b8p s TYR 76 N 1.22 3.45 -0.05 5.22 1.51 -0.48 -0.36 117.35 127.87 2b8p s TYR 76 Ca -0.00 0.69 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 2b8p s TYR 76 Cb -0.21 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 2b8p s TYR 76 CO -0.02 0.32 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.61 2b8p s GLU 77 N -2.88 1.54 0.00 -0.62 2.12 0.11 -1.52 118.70 117.44 2b8p s GLU 77 Ca 0.44 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2b8p s GLU 77 Cb -0.11 -1.33 0.00 0.00 0.26 0.00 0.00 34.13 32.94 2b8p s GLU 77 CO 0.24 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 2b8p n GLY 78 N 3.39 0.04 3.69 -1.50 0.00 -0.86 -1.34 105.19 108.61 2b8p n GLY 78 Ca -0.20 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2b8p n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b8p s THR 79 N -2.00 3.43 -1.63 2.61 2.01 -1.26 -1.27 115.64 117.54 2b8p s THR 79 Ca 0.00 0.87 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2b8p s THR 79 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2b8p s THR 79 CO 0.00 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.40 2b8p n ASP 80 N 5.31 -4.85 -0.26 3.53 10.43 -1.16 -4.86 116.55 124.68 2b8p n ASP 80 Ca 0.14 0.22 0.03 0.00 2.57 0.00 0.00 54.79 57.75 2b8p n ASP 80 Cb 0.42 -4.19 0.12 0.00 1.84 0.00 0.00 41.12 39.32 2b8p n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2b8p h ALA 81 N 0.73 0.62 0.30 2.24 0.00 -1.71 0.73 119.26 122.18 2b8p h ALA 81 Ca -0.39 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2b8p h ALA 81 Cb 1.23 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2b8p h ALA 81 CO 0.50 -0.42 -0.33 0.82 0.00 0.00 0.00 179.25 179.81 2b8p h ILE 82 N 0.03 0.31 -0.25 0.00 2.04 -1.87 0.19 117.51 117.96 2b8p h ILE 82 Ca 0.39 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.18 2b8p h ILE 82 Cb 0.64 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2b8p h ILE 82 CO -0.75 0.00 -0.11 -1.28 0.00 0.00 0.00 178.15 176.01 2b8p h SER 83 N -0.68 0.53 -0.30 1.72 0.87 -1.80 -2.40 113.55 111.49 2b8p h SER 83 Ca -0.01 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2b8p h SER 83 Cb 0.62 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2b8p h SER 83 CO -0.08 0.81 0.19 0.11 -0.53 0.00 0.00 176.83 177.33 2b8p h LYS 84 N 0.25 0.40 -0.15 2.24 1.79 -0.79 -2.19 116.57 118.11 2b8p h LYS 84 Ca 0.06 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 2b8p h LYS 84 Cb 0.60 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2b8p h LYS 84 CO 0.03 0.28 -0.53 0.82 -1.08 0.00 0.00 179.45 178.98 2b8p h ILE 85 N 0.40 1.33 -0.46 1.86 2.04 -1.02 -2.11 117.51 119.56 2b8p h ILE 85 Ca 0.11 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.22 2b8p h ILE 85 Cb -0.03 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2b8p h ILE 85 CO -0.02 0.54 0.30 -0.09 0.00 0.00 0.00 178.15 178.89 2b8p h ARG 86 N 0.34 0.50 -0.24 2.37 9.65 -1.20 -0.42 114.38 125.36 2b8p h ARG 86 Ca 0.01 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.66 2b8p h ARG 86 Cb 1.04 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2b8p h ARG 86 CO 0.09 0.33 -0.62 0.00 2.80 0.00 0.00 179.97 182.57 2b8p h ARG 87 N 0.51 0.84 -0.29 0.20 3.08 -0.94 -1.89 114.38 115.90 2b8p h ARG 87 Ca 0.18 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2b8p h ARG 87 Cb 0.10 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2b8p h ARG 87 CO -0.05 1.21 0.19 -0.07 -1.07 0.00 0.00 179.97 180.18 2b8p h LEU 88 N 0.63 0.32 -0.42 3.04 3.38 -0.60 -1.98 115.31 119.68 2b8p h LEU 88 Ca -0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2b8p h LEU 88 Cb 1.24 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2b8p h LEU 88 CO 0.13 0.24 -0.00 -0.61 0.09 0.00 0.00 178.44 178.29 2b8p h GLN 89 N 0.39 0.10 0.00 1.13 4.15 -1.06 0.45 115.11 120.27 2b8p h GLN 89 Ca 0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2b8p h GLN 89 Cb -0.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2b8p h GLN 89 CO -0.03 0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.35 2b8p n GLY 90 N -1.28 1.06 3.15 2.39 0.00 -0.72 -1.32 105.19 108.47 2b8p n GLY 90 Ca 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2b8p n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b8p s ASN 91 N -4.00 0.53 0.00 1.61 2.20 -1.26 -4.75 114.94 109.28 2b8p s ASN 91 Ca 0.00 -1.14 0.08 0.00 -0.94 0.00 0.00 52.86 50.85 2b8p s ASN 91 Cb 0.00 0.24 0.36 0.00 -2.00 0.00 0.00 41.25 39.85 2b8p s ASN 91 CO 0.00 -0.66 1.16 2.30 -2.94 0.00 0.00 177.10 176.96 2b8p n ILE 92 N -0.07 1.09 0.13 0.54 -5.35 -1.26 -1.82 119.36 112.63 2b8p n ILE 92 Ca -0.08 0.27 0.11 0.00 -0.27 0.00 0.00 62.75 62.79 2b8p n ILE 92 Cb 0.63 -1.14 0.23 0.00 -1.74 0.00 0.00 39.64 37.61 2b8p n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2b8p n LEU 93 N -1.37 3.48 -3.79 7.28 4.77 -1.26 -4.61 117.00 121.50 2b8p n LEU 93 Ca 0.03 -1.62 -0.30 0.00 -0.03 0.00 0.00 56.01 54.09 2b8p n LEU 93 Cb 0.07 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 2b8p n LEU 93 CO 0.06 0.78 -0.25 -0.89 -1.33 0.00 0.00 177.39 175.77 2b8p s THR 94 N -1.33 1.66 0.60 -5.08 2.01 -0.76 -5.06 115.64 107.69 2b8p s THR 94 Ca 0.39 -2.56 -0.20 0.00 0.31 0.00 0.00 61.69 59.63 2b8p s THR 94 Cb 0.22 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2b8p s THR 94 CO 0.30 -0.82 1.30 -0.81 -0.69 0.00 0.00 174.62 173.89 2b8p n PRO 95 N 3.67 1.35 0.00 4.92 -0.04 -1.26 -2.60 135.00 141.04 2b8p n PRO 95 Ca 0.06 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2b8p n PRO 95 Cb 0.35 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 2b8p n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b8p n GLY 96 N 0.88 2.21 3.99 0.55 0.00 -1.26 -4.92 105.19 106.64 2b8p n GLY 96 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2b8p n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b8p s THR 97 N -2.29 2.62 0.06 2.61 -4.23 -1.07 -4.91 115.64 108.42 2b8p s THR 97 Ca 0.00 -0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 59.43 2b8p s THR 97 Cb 0.00 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.85 2b8p s THR 97 CO 0.00 0.00 1.55 0.40 -0.54 0.00 0.00 174.62 176.03 2b8p h ILE 98 N 0.16 0.61 -0.08 2.99 2.04 -0.11 -0.92 117.51 122.20 2b8p h ILE 98 Ca -0.39 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 2b8p h ILE 98 Cb 1.29 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2b8p h ILE 98 CO 0.47 0.03 -0.35 0.03 0.00 0.00 0.00 178.15 178.33 2b8p h ARG 99 N -0.63 0.16 -0.50 2.37 3.08 -1.42 -1.66 114.38 115.80 2b8p h ARG 99 Ca -0.05 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 2b8p h ARG 99 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2b8p h ARG 99 CO 0.09 0.50 -0.05 0.78 -1.07 0.00 0.00 179.97 180.22 2b8p h GLY 100 N 1.12 0.94 0.62 0.04 0.00 -1.20 -1.19 103.07 103.40 2b8p h GLY 100 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 2b8p h GLY 100 CO 0.05 0.63 -1.45 1.22 0.00 0.00 0.00 176.54 176.99 2b8p n ASP 101 N -4.18 0.54 0.00 0.19 8.00 -0.37 -4.34 116.55 116.39 2b8p n ASP 101 Ca 0.02 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2b8p n ASP 101 Cb 0.35 0.94 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 2b8p n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2b8p n LEU 102 N -2.58 0.00 -4.61 0.64 4.77 -0.63 -5.07 117.00 109.52 2b8p n LEU 102 Ca -0.04 -0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 2b8p n LEU 102 Cb 0.63 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 2b8p n LEU 102 CO 0.43 0.00 -0.36 0.00 -1.33 0.00 0.00 177.39 176.13 2b8p s ALA 103 N -0.99 3.08 0.00 -1.18 0.00 -0.45 -5.02 121.76 117.19 2b8p s ALA 103 Ca 0.00 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.45 2b8p s ALA 103 Cb 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 23.12 22.51 2b8p s ALA 103 CO 0.00 0.34 0.96 -1.71 0.00 0.00 0.00 175.76 175.35 2b8p n ASN 104 N -0.55 0.10 -3.77 0.00 5.15 -1.26 -4.77 115.26 110.15 2b8p n ASN 104 Ca -0.08 -1.81 -0.13 0.00 -0.60 0.00 0.00 54.58 51.96 2b8p n ASN 104 Cb 0.58 -0.08 -0.11 0.00 -0.53 0.00 0.00 39.78 39.64 2b8p n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b8p s ASP 105 N -1.14 -0.30 0.00 1.20 2.15 -1.26 -5.03 116.67 112.29 2b8p s ASP 105 Ca 0.11 0.54 0.28 0.00 0.43 0.00 0.00 52.55 53.91 2b8p s ASP 105 Cb 0.13 0.58 1.35 0.00 -0.30 0.00 0.00 42.92 44.68 2b8p s ASP 105 CO -0.06 -0.15 1.95 2.30 -0.17 0.00 0.00 175.17 179.05 2b8p n ILE 106 N 2.72 0.09 -0.10 4.11 -0.00 -1.26 -3.78 119.36 121.13 2b8p n ILE 106 Ca -0.14 0.02 -0.18 0.00 -0.00 0.00 0.00 62.75 62.45 2b8p n ILE 106 Cb 0.58 -0.55 -0.06 0.00 -0.00 0.00 0.00 39.64 39.60 2b8p n ILE 106 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2b8p n ARG 107 N -1.35 0.48 -2.91 6.28 1.74 -1.26 -4.65 116.66 114.99 2b8p n ARG 107 Ca 0.11 0.20 -0.44 0.00 -0.77 0.00 0.00 57.85 56.96 2b8p n ARG 107 Cb 0.25 -1.32 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2b8p n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2b8p s GLU 108 N -2.58 4.05 -0.27 5.56 2.02 -1.25 -4.73 118.70 121.50 2b8p s GLU 108 Ca -0.29 -2.46 0.12 0.00 0.02 0.00 0.00 54.97 52.35 2b8p s GLU 108 Cb 0.09 -5.10 0.59 0.00 0.10 0.00 0.00 34.13 29.80 2b8p s GLU 108 CO 0.39 -1.82 1.57 0.27 0.02 0.00 0.00 175.26 175.69 2b8p n ASN 109 N 6.01 3.66 0.00 -0.19 0.23 -1.25 -4.13 115.26 119.59 2b8p n ASN 109 Ca 0.37 -3.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.06 2b8p n ASN 109 Cb 0.44 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 2b8p n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2b8p n LEU 110 N -0.67 0.00 -3.77 -4.53 4.77 -1.26 -4.78 117.00 106.76 2b8p n LEU 110 Ca 0.33 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 2b8p n LEU 110 Cb 1.12 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.12 2b8p n LEU 110 CO 0.27 0.00 -0.00 -0.51 -1.33 0.00 0.00 177.39 175.82 2b8p s ILE 111 N 0.00 0.06 -0.02 -0.08 2.07 -1.26 -1.45 121.20 120.52 2b8p s ILE 111 Ca 0.00 -0.51 0.06 0.00 -1.41 0.00 0.00 60.65 58.79 2b8p s ILE 111 Cb 0.00 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 2b8p s ILE 111 CO 0.00 -0.28 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.28 2b8p s HIS 112 N -1.37 1.78 0.00 3.50 5.65 -0.50 -4.98 115.29 119.36 2b8p s HIS 112 Ca -0.14 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 54.82 2b8p s HIS 112 Cb -0.05 -1.16 -0.01 0.00 -1.18 0.00 0.00 32.58 30.18 2b8p s HIS 112 CO 0.04 -0.06 -0.06 0.00 -0.65 0.00 0.00 174.74 174.01 2b8p s ALA 113 N -0.37 0.47 0.36 1.58 0.00 -1.26 -0.95 121.76 121.58 2b8p s ALA 113 Ca 0.05 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 2b8p s ALA 113 Cb -0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.82 2b8p s ALA 113 CO -0.00 0.10 1.15 0.43 0.00 0.00 0.00 175.76 177.44 2b8p n SER 114 N 2.79 2.02 -0.76 0.00 7.64 -0.78 -4.91 113.62 119.62 2b8p n SER 114 Ca -0.14 1.14 0.10 0.00 1.01 0.00 0.00 58.87 60.99 2b8p n SER 114 Cb 0.58 -1.41 0.07 0.00 -1.01 0.00 0.00 64.21 62.44 2b8p n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2b8p n ASP 115 N 0.71 2.57 -3.72 6.43 5.68 -1.26 -4.62 116.55 122.33 2b8p n ASP 115 Ca 0.07 -1.78 -0.04 0.00 -0.50 0.00 0.00 54.79 52.53 2b8p n ASP 115 Cb 0.36 0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.42 2b8p n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2b8p s SER 116 N -1.82 -0.21 0.09 -1.12 1.04 -1.26 -4.99 113.70 105.43 2b8p s SER 116 Ca 0.23 -0.36 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 2b8p s SER 116 Cb 0.17 0.49 -0.14 0.00 0.10 0.00 0.00 66.02 66.65 2b8p s SER 116 CO 0.30 -0.90 1.72 -0.33 0.98 0.00 0.00 173.24 175.02 2b8p h GLU 117 N 2.00 0.06 -0.40 4.02 5.08 -1.97 0.21 114.58 123.58 2b8p h GLU 117 Ca -0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2b8p h GLU 117 Cb 1.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2b8p h GLU 117 CO 0.26 0.07 0.25 -0.44 -1.00 0.00 0.00 179.01 178.15 2b8p h ASP 118 N 0.03 0.46 -0.56 1.42 3.32 -1.99 0.21 116.42 119.31 2b8p h ASP 118 Ca 0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2b8p h ASP 118 Cb 0.02 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2b8p h ASP 118 CO -0.00 0.36 0.33 -1.28 -1.72 0.00 0.00 179.24 176.93 2b8p h SER 119 N 0.53 0.70 -0.13 6.45 0.87 -1.90 -0.59 113.55 119.47 2b8p h SER 119 Ca 0.14 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2b8p h SER 119 Cb -0.03 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2b8p h SER 119 CO -0.03 0.55 -0.18 0.00 -0.53 0.00 0.00 176.83 176.64 2b8p h ALA 120 N 1.57 0.20 -0.60 6.23 0.00 0.22 0.15 119.26 127.02 2b8p h ALA 120 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2b8p h ALA 120 Cb -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2b8p h ALA 120 CO -0.04 0.12 0.18 -0.39 0.00 0.00 0.00 179.25 179.13 2b8p h VAL 121 N -0.04 1.24 -0.04 0.00 -1.51 -0.70 0.22 116.25 115.43 2b8p h VAL 121 Ca 0.02 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2b8p h VAL 121 Cb 0.73 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2b8p h VAL 121 CO 0.04 0.32 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.91 2b8p h ASP 122 N 0.86 0.08 -0.94 4.19 1.82 -1.12 -2.00 116.42 119.31 2b8p h ASP 122 Ca 0.19 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2b8p h ASP 122 Cb 0.29 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.24 2b8p h ASP 122 CO -0.01 0.43 0.59 -0.33 -1.61 0.00 0.00 179.24 178.32 2b8p h GLU 123 N -0.27 1.26 -0.19 0.28 5.08 -0.54 -1.90 114.58 118.31 2b8p h GLU 123 Ca 0.01 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2b8p h GLU 123 Cb 0.39 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2b8p h GLU 123 CO 0.00 0.86 -0.32 0.82 -1.00 0.00 0.00 179.01 179.37 2b8p h ILE 124 N 1.29 1.28 0.00 3.13 2.04 -0.53 -2.58 117.51 122.15 2b8p h ILE 124 Ca 0.34 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 2b8p h ILE 124 Cb -0.09 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2b8p h ILE 124 CO -0.07 0.42 -0.33 0.77 0.00 0.00 0.00 178.15 178.95 2b8p h SER 125 N 0.33 0.00 0.40 1.72 4.64 -0.78 0.10 113.55 119.97 2b8p h SER 125 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2b8p h SER 125 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2b8p h SER 125 CO 0.06 0.33 -0.19 0.40 -0.87 0.00 0.00 176.83 176.55 2b8p h ILE 126 N 0.00 0.24 0.00 0.95 2.04 -0.98 -2.94 117.51 116.82 2b8p h ILE 126 Ca -0.00 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2b8p h ILE 126 Cb 0.92 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2b8p h ILE 126 CO 0.04 0.05 -0.43 -0.50 0.00 0.00 0.00 178.15 177.31 2b8p h TRP 127 N -1.07 0.00 -2.11 1.37 4.06 -1.56 -3.37 115.95 113.27 2b8p h TRP 127 Ca -0.05 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.34 2b8p h TRP 127 Cb 0.50 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.25 2b8p h TRP 127 CO 0.02 0.21 -0.91 1.19 -3.56 0.00 0.00 178.44 175.38 2b8p n PHE 128 N -3.06 1.66 0.49 0.49 3.72 0.02 -5.03 117.46 115.76 2b8p n PHE 128 Ca 0.02 -3.86 0.04 0.00 -0.05 0.00 0.00 57.45 53.59 2b8p n PHE 128 Cb 0.62 -0.45 0.23 0.00 -0.94 0.00 0.00 39.48 38.95 2b8p n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36