#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8p h LYS -3 N 0.00 -0.05 0.00 2.98 2.10 -2.03 -3.19 116.57 116.38 2b8p h LYS -3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2b8p h LYS -3 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2b8p h LYS -3 CO 0.00 -0.03 0.00 1.63 -2.00 0.00 0.00 179.45 179.05 2b8p n LYS -2 N -5.48 0.00 0.00 0.07 4.76 -1.26 -4.69 118.16 111.56 2b8p n LYS -2 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2b8p n LYS -2 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 2b8p n LYS -2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b8p n ALA -1 N -3.40 -1.14 -3.00 7.82 0.00 -1.21 -4.61 120.51 114.97 2b8p n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b8p n ALA -1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b8p n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b8p n GLY 0 N 0.00 4.45 0.33 0.00 0.00 -1.26 -4.56 105.19 104.14 2b8p n GLY 0 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2b8p n GLY 0 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b8p n LEU 1 N 0.00 2.43 -3.78 0.99 7.94 -1.08 -4.71 117.00 118.79 2b8p n LEU 1 Ca 0.00 -1.95 -0.13 0.00 -1.11 0.00 0.00 56.01 52.82 2b8p n LEU 1 Cb 0.00 -0.12 -0.09 0.00 0.53 0.00 0.00 43.42 43.74 2b8p n LEU 1 CO 0.00 0.61 -0.02 -1.58 -1.11 0.00 0.00 177.39 175.29 2b8p s GLN 2 N -0.97 0.59 -0.11 1.96 0.74 0.01 -4.78 119.66 117.10 2b8p s GLN 2 Ca 0.12 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.44 2b8p s GLN 2 Cb 0.06 0.26 0.01 0.00 1.10 0.00 0.00 33.01 34.44 2b8p s GLN 2 CO 0.08 -0.15 -0.19 0.50 -0.55 0.00 0.00 175.29 174.98 2b8p s ARG 3 N -1.08 2.59 0.11 1.67 6.06 -1.26 -1.84 118.95 125.21 2b8p s ARG 3 Ca -0.11 -0.71 0.04 0.00 -2.50 0.00 0.00 55.73 52.45 2b8p s ARG 3 Cb -0.05 -2.07 -0.04 0.00 0.06 0.00 0.00 34.95 32.85 2b8p s ARG 3 CO 0.03 0.04 -0.11 -0.08 -2.50 0.00 0.00 175.30 172.69 2b8p s THR 4 N 0.68 1.06 -0.16 4.11 -1.32 -0.16 -4.79 115.64 115.07 2b8p s THR 4 Ca -0.12 -1.76 -0.06 0.00 -1.21 0.00 0.00 61.69 58.54 2b8p s THR 4 Cb -0.16 -1.51 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 2b8p s THR 4 CO 0.03 -0.58 0.05 -0.22 -2.21 0.00 0.00 174.62 171.69 2b8p s LEU 5 N -2.62 3.76 -0.02 9.08 2.96 -1.26 -0.93 118.68 129.65 2b8p s LEU 5 Ca 0.09 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2b8p s LEU 5 Cb -0.02 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2b8p s LEU 5 CO 0.01 0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.37 2b8p s VAL 6 N 0.01 1.66 -0.14 1.68 1.01 0.43 -1.39 120.40 123.66 2b8p s VAL 6 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2b8p s VAL 6 Cb -0.12 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2b8p s VAL 6 CO 0.01 0.47 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 2b8p s LEU 7 N -0.45 1.98 -0.43 3.92 1.43 0.91 -0.37 118.68 125.66 2b8p s LEU 7 Ca 0.07 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 2b8p s LEU 7 Cb -0.09 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.82 2b8p s LEU 7 CO -0.00 0.03 0.35 -0.63 0.23 0.00 0.00 176.35 176.33 2b8p s ILE 8 N 1.04 5.22 0.70 -0.59 1.01 0.87 -0.77 121.20 128.68 2b8p s ILE 8 Ca -0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 2b8p s ILE 8 Cb -0.14 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2b8p s ILE 8 CO -0.05 -0.41 1.09 -0.54 0.00 0.00 0.00 174.94 175.03 2b8p s LYS 9 N 1.77 2.63 0.29 2.79 1.02 -0.81 -1.78 119.74 125.65 2b8p s LYS 9 Ca 0.06 1.24 0.04 0.00 0.02 0.00 0.00 55.97 57.33 2b8p s LYS 9 Cb -0.20 -1.94 0.73 0.00 -0.52 0.00 0.00 37.83 35.91 2b8p s LYS 9 CO 0.10 -1.36 1.72 -1.35 -0.92 0.00 0.00 175.35 173.53 2b8p h PRO 10 N -0.50 0.48 -0.74 -1.68 0.11 -1.79 -0.37 132.00 127.51 2b8p h PRO 10 Ca -0.45 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2b8p h PRO 10 Cb 1.23 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2b8p h PRO 10 CO 0.53 0.32 0.49 0.38 -0.21 0.00 0.00 178.00 179.51 2b8p h ASP 11 N 0.50 0.78 -0.88 -2.05 2.03 -1.91 -0.56 116.42 114.33 2b8p h ASP 11 Ca 0.56 -0.01 0.05 0.00 -0.73 0.00 0.00 57.03 56.91 2b8p h ASP 11 Cb 1.02 -0.18 -0.06 0.00 -0.83 0.00 0.00 39.33 39.28 2b8p h ASP 11 CO -0.48 0.54 0.56 0.00 -1.03 0.00 0.00 179.24 178.83 2b8p h ALA 12 N 1.57 1.20 -0.37 4.15 0.00 -1.31 0.16 119.26 124.65 2b8p h ALA 12 Ca 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2b8p h ALA 12 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2b8p h ALA 12 CO -0.08 0.34 -0.06 0.74 0.00 0.00 0.00 179.25 180.19 2b8p h PHE 13 N 1.04 0.78 -0.30 0.00 -1.00 -1.19 0.18 116.94 116.45 2b8p h PHE 13 Ca 0.37 -0.16 -0.07 0.00 2.81 0.00 0.00 57.97 60.92 2b8p h PHE 13 Cb 0.12 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2b8p h PHE 13 CO -0.02 0.83 -0.13 1.49 -1.61 0.00 0.00 178.31 178.87 2b8p h GLU 14 N 0.51 0.51 -0.38 1.51 4.81 -0.36 -2.56 114.58 118.61 2b8p h GLU 14 Ca 0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2b8p h GLU 14 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2b8p h GLU 14 CO 0.03 0.63 0.00 0.54 -0.73 0.00 0.00 179.01 179.48 2b8p n ARG 15 N -4.20 2.15 -3.73 1.92 1.74 0.48 -4.95 116.66 110.06 2b8p n ARG 15 Ca 0.01 -1.75 -0.25 0.00 -0.77 0.00 0.00 57.85 55.09 2b8p n ARG 15 Cb 0.33 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.94 -3.78 -0.52 0.55 7.64 -0.28 -4.90 113.62 113.27 2b8p n SER 16 Ca 0.18 -0.72 0.05 0.00 1.01 0.00 0.00 58.87 59.38 2b8p n SER 16 Cb 0.45 -4.33 0.12 0.00 -1.01 0.00 0.00 64.21 59.44 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 -4.58 2.68 0.03 -3.43 4.77 0.48 -4.71 117.00 112.24 2b8p n LEU 17 Ca -0.10 -1.90 -0.10 0.00 -0.03 0.00 0.00 56.01 53.87 2b8p n LEU 17 Cb 0.59 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2b8p n LEU 17 CO 0.70 0.66 0.70 0.58 -1.33 0.00 0.00 177.39 178.70 2b8p h VAL 18 N 1.71 0.44 -0.15 4.08 2.07 -1.90 -0.27 116.25 122.23 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 0.67 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2b8p h VAL 18 CO 0.00 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.66 2b8p h ALA 19 N 0.58 0.20 -0.59 1.67 0.00 -1.94 -0.61 119.26 118.56 2b8p h ALA 19 Ca 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2b8p h ALA 19 Cb 0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2b8p h ALA 19 CO -0.26 -0.24 -0.14 1.49 0.00 0.00 0.00 179.25 180.10 2b8p h GLU 20 N 0.12 0.00 0.25 0.00 4.57 -1.80 0.89 114.58 118.61 2b8p h GLU 20 Ca 0.05 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2b8p h GLU 20 Cb 0.13 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2b8p h GLU 20 CO -0.01 0.00 -0.12 0.82 -1.18 0.00 0.00 179.01 178.53 2b8p h ILE 21 N 0.00 0.80 -0.04 2.32 2.04 -0.80 -2.86 117.51 118.97 2b8p h ILE 21 Ca 0.28 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2b8p h ILE 21 Cb 0.43 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2b8p h ILE 21 CO -0.60 0.07 -0.08 0.24 0.00 0.00 0.00 178.15 177.77 2b8p h MET 22 N -0.50 0.06 -0.60 2.37 2.86 -0.36 -2.78 114.93 115.98 2b8p h MET 22 Ca -0.03 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2b8p h MET 22 Cb 0.37 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2b8p h MET 22 CO 0.06 0.15 0.30 0.78 1.06 0.00 0.00 176.91 179.26 2b8p h GLY 23 N 0.37 0.92 1.18 8.32 0.00 0.99 -1.02 103.07 113.82 2b8p h GLY 23 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2b8p h GLY 23 CO 0.01 0.42 0.51 3.21 0.00 0.00 0.00 176.54 180.69 2b8p h ARG 24 N 0.82 1.09 -0.14 4.80 3.08 -1.28 0.18 114.38 122.94 2b8p h ARG 24 Ca 0.21 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2b8p h ARG 24 Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2b8p h ARG 24 CO -0.03 0.75 -0.44 0.82 -1.07 0.00 0.00 179.97 180.01 2b8p h ILE 25 N 1.12 1.36 -0.83 2.04 2.04 -1.53 -2.88 117.51 118.81 2b8p h ILE 25 Ca 0.29 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2b8p h ILE 25 Cb -0.07 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2b8p h ILE 25 CO -0.06 0.52 0.44 -0.08 0.00 0.00 0.00 178.15 178.97 2b8p h GLU 26 N 0.16 1.17 0.00 2.37 4.81 -0.65 -1.80 114.58 120.64 2b8p h GLU 26 Ca -0.02 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2b8p h GLU 26 Cb 1.06 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2b8p h GLU 26 CO 0.09 0.87 -0.12 0.87 -0.73 0.00 0.00 179.01 179.99 2b8p h LYS 27 N 1.17 0.00 -0.00 1.92 1.57 -0.65 -0.07 116.57 120.52 2b8p h LYS 27 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2b8p h LYS 27 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2b8p h LYS 27 CO -0.04 0.12 0.00 1.17 -0.57 0.00 0.00 179.45 180.13 2b8p n LYS 28 N -3.34 1.01 -2.35 3.15 3.00 -0.69 -4.90 118.16 114.05 2b8p n LYS 28 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.20 2b8p n LYS 28 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 -0.95 -3.23 -4.83 3.14 4.05 -0.04 -5.05 115.26 108.35 2b8p n ASN 29 Ca 0.22 -0.06 -0.37 0.00 0.45 0.00 0.00 54.58 54.83 2b8p n ASN 29 Cb 0.11 -2.36 -0.06 0.00 1.23 0.00 0.00 39.78 38.70 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 -2.59 3.69 0.15 1.20 0.40 -1.18 -4.29 117.98 115.37 2b8p s PHE 30 Ca 0.06 1.09 0.03 0.00 -0.60 0.00 0.00 56.93 57.51 2b8p s PHE 30 Cb -0.02 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 2b8p s PHE 30 CO 0.07 0.53 0.27 -1.59 0.70 0.00 0.00 175.22 175.21 2b8p s LYS 31 N -1.50 3.40 -0.11 0.44 -2.85 -1.05 -4.60 119.74 113.47 2b8p s LYS 31 Ca 0.32 -0.62 -0.21 0.00 -1.00 0.00 0.00 55.97 54.46 2b8p s LYS 31 Cb -0.17 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.62 2b8p s LYS 31 CO 0.18 0.52 0.59 0.42 0.10 0.00 0.00 175.35 177.15 2b8p s ILE 32 N -1.74 5.11 -0.22 3.79 1.01 -1.26 -1.50 121.20 126.39 2b8p s ILE 32 Ca 0.34 1.18 -0.14 0.00 0.00 0.00 0.00 60.65 62.03 2b8p s ILE 32 Cb -0.11 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 2b8p s ILE 32 CO 0.28 0.27 -0.32 0.52 0.00 0.00 0.00 174.94 175.69 2b8p n VAL 33 N 3.84 1.41 -4.17 2.92 0.31 -0.21 -4.96 118.33 117.47 2b8p n VAL 33 Ca -0.04 -0.17 -0.17 0.00 -0.01 0.00 0.00 64.34 63.95 2b8p n VAL 33 Cb 0.51 -1.99 -0.12 0.00 -0.91 0.00 0.00 33.84 31.34 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 -6.79 1.58 -0.15 4.52 0.01 -1.23 -4.99 113.70 106.65 2b8p s SER 34 Ca -0.32 -0.66 -0.17 0.00 1.31 0.00 0.00 55.95 56.11 2b8p s SER 34 Cb 0.10 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.34 2b8p s SER 34 CO 0.42 -0.13 0.46 -0.32 0.41 0.00 0.00 173.24 174.08 2b8p s MET 35 N -1.99 0.59 -0.13 12.44 0.00 -1.26 -0.74 119.30 128.20 2b8p s MET 35 Ca -0.01 0.54 -0.07 0.00 0.00 0.00 0.00 55.69 56.15 2b8p s MET 35 Cb -0.08 0.28 0.05 0.00 0.00 0.00 0.00 34.83 35.08 2b8p s MET 35 CO 0.02 -0.09 0.31 0.21 0.00 0.00 0.00 175.02 175.47 2b8p s LYS 36 N -0.01 0.28 -0.13 4.11 2.20 -0.26 -5.01 119.74 120.93 2b8p s LYS 36 Ca -0.02 0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 56.17 2b8p s LYS 36 Cb -0.03 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 2b8p s LYS 36 CO 0.02 -0.16 0.07 0.12 -0.36 0.00 0.00 175.35 175.03 2b8p s PHE 37 N 1.34 3.33 -0.12 4.03 5.36 -1.26 -1.07 117.98 129.60 2b8p s PHE 37 Ca -0.09 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2b8p s PHE 37 Cb -0.10 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 2b8p s PHE 37 CO -0.10 0.44 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.42 2b8p s TRP 38 N -0.49 1.72 0.57 10.12 0.52 -0.07 -4.97 118.94 126.34 2b8p s TRP 38 Ca 0.10 -0.88 0.34 0.00 0.02 0.00 0.00 56.10 55.69 2b8p s TRP 38 Cb -0.12 -1.34 1.95 0.00 -1.15 0.00 0.00 33.47 32.81 2b8p s TRP 38 CO 0.02 -0.54 2.26 0.66 0.02 0.00 0.00 176.95 179.37 2b8p h SER 39 N 7.97 0.00 -0.36 2.95 4.64 -1.94 -1.11 113.55 125.71 2b8p h SER 39 Ca -0.33 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 2b8p h SER 39 Cb 1.14 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 2b8p h SER 39 CO 0.46 0.02 -0.18 -0.54 -0.87 0.00 0.00 176.83 175.72 2b8p s LYS 40 N -4.36 0.31 0.39 4.77 1.02 -1.26 -3.21 119.74 117.40 2b8p s LYS 40 Ca -0.04 -0.15 -0.22 0.00 0.02 0.00 0.00 55.97 55.58 2b8p s LYS 40 Cb 0.14 0.03 -0.15 0.00 -0.52 0.00 0.00 37.83 37.32 2b8p s LYS 40 CO 0.51 -0.44 0.21 0.00 -0.92 0.00 0.00 175.35 174.71 2b8p n ALA 41 N 3.61 -2.71 -1.77 5.17 0.00 -1.26 -4.82 120.51 118.73 2b8p n ALA 41 Ca 0.08 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2b8p n ALA 41 Cb 0.62 -1.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2b8p n ALA 41 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2b8p s PRO 42 N -1.11 4.12 0.28 0.00 0.02 -1.26 -4.84 135.00 132.21 2b8p s PRO 42 Ca 0.60 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.21 2b8p s PRO 42 Cb -0.66 -2.99 0.62 0.00 0.02 0.00 0.00 34.50 31.50 2b8p s PRO 42 CO 0.61 -0.56 1.77 -0.09 -0.33 0.00 0.00 177.00 178.40 2b8p h ARG 43 N 3.58 0.67 -0.04 5.54 9.65 -1.98 -2.64 114.38 129.16 2b8p h ARG 43 Ca -0.50 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2b8p h ARG 43 Cb 1.23 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2b8p h ARG 43 CO 0.69 0.44 -0.05 -0.97 2.80 0.00 0.00 179.97 182.88 2b8p h ASN 44 N 0.69 -0.18 -0.98 -3.80 -0.00 -2.00 -2.28 115.58 107.02 2b8p h ASN 44 Ca 0.52 0.02 0.19 0.00 -0.00 0.00 0.00 56.30 57.03 2b8p h ASN 44 Cb 0.76 0.07 -0.11 0.00 -0.00 0.00 0.00 38.32 39.04 2b8p h ASN 44 CO -0.37 -0.04 0.58 -0.07 -0.00 0.00 0.00 177.43 177.53 2b8p h LEU 45 N -0.04 0.73 -1.06 0.34 4.07 -1.86 -0.43 115.31 117.06 2b8p h LEU 45 Ca 0.01 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.07 2b8p h LEU 45 Cb 0.06 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 2b8p h LEU 45 CO -0.06 0.25 0.61 0.40 -1.08 0.00 0.00 178.44 178.56 2b8p h ILE 46 N 0.73 1.24 -0.15 1.22 1.08 -1.27 -0.55 117.51 119.81 2b8p h ILE 46 Ca 0.57 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2b8p h ILE 46 Cb 0.88 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2b8p h ILE 46 CO -0.39 0.24 -0.01 -0.33 -0.69 0.00 0.00 178.15 176.97 2b8p h GLU 47 N 1.27 0.27 -0.58 2.37 5.08 -0.53 -2.57 114.58 119.89 2b8p h GLU 47 Ca 0.34 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2b8p h GLU 47 Cb -0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2b8p h GLU 47 CO -0.07 0.52 0.24 1.96 -1.00 0.00 0.00 179.01 180.66 2b8p h GLN 48 N -0.00 0.86 0.32 2.33 4.20 -1.11 0.31 115.11 122.02 2b8p h GLN 48 Ca 0.04 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2b8p h GLN 48 Cb 0.41 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2b8p h GLN 48 CO 0.01 0.73 -0.33 1.25 -0.67 0.00 0.00 178.83 179.82 2b8p h HIS 49 N 0.79 -0.90 -0.44 2.96 2.76 -1.09 -2.62 115.15 116.62 2b8p h HIS 49 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2b8p h HIS 49 Cb 0.19 0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2b8p h HIS 49 CO 0.01 -0.47 0.00 0.66 -1.30 0.00 0.00 177.93 176.83 2b8p n TYR 50 N -5.44 0.76 -1.45 5.26 4.02 -0.97 -4.89 117.16 114.45 2b8p n TYR 50 Ca -0.09 -0.34 -0.13 0.00 -0.01 0.00 0.00 57.90 57.33 2b8p n TYR 50 Cb 0.35 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.48 2b8p n TYR 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2b8p n LYS 51 N 0.74 0.21 0.00 -0.72 4.81 0.11 -5.03 118.16 118.27 2b8p n LYS 51 Ca 0.16 -0.68 0.00 0.00 -0.87 0.00 0.00 58.31 56.92 2b8p n LYS 51 Cb 0.48 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.96 2b8p n LYS 51 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2b8p n GLU 52 N 7.02 0.00 0.00 1.64 1.02 -1.26 -5.04 120.64 124.02 2b8p n GLU 52 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2b8p n GLU 52 Cb 0.38 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2b8p n GLU 52 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2b8p n TYR 58 N -2.48 0.00 0.08 -0.32 0.18 -1.26 -5.25 117.16 108.10 2b8p n TYR 58 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 2b8p n TYR 58 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 2b8p n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 2b8p h PHE 59 N 0.00 -0.38 -0.09 -3.48 3.04 -2.00 -2.03 116.94 111.99 2b8p h PHE 59 Ca 0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2b8p h PHE 59 Cb 0.00 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 2b8p h PHE 59 CO 0.00 -0.22 0.08 -2.95 -2.02 0.00 0.00 178.31 173.20 2b8p h ASN 60 N -0.27 0.00 -0.07 0.41 7.08 -2.02 -1.59 115.58 119.12 2b8p h ASN 60 Ca 0.03 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.23 2b8p h ASN 60 Cb 0.31 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.54 2b8p h ASN 60 CO -0.11 0.00 -0.04 -0.78 -2.08 0.00 0.00 177.43 174.42 2b8p h ASP 61 N 0.00 0.17 -0.55 6.14 3.58 -1.83 -2.37 116.42 121.56 2b8p h ASP 61 Ca 0.04 -0.43 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 2b8p h ASP 61 Cb 0.21 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2b8p h ASP 61 CO -0.00 0.56 -0.02 -1.13 -2.88 0.00 0.00 179.24 175.77 2b8p h ASN 62 N -0.22 0.97 -0.91 2.28 -0.00 -1.15 -2.48 115.58 114.06 2b8p h ASN 62 Ca 0.02 -0.31 0.15 0.00 -0.00 0.00 0.00 56.30 56.15 2b8p h ASN 62 Cb 0.50 -0.26 -0.07 0.00 -0.00 0.00 0.00 38.32 38.48 2b8p h ASN 62 CO 0.01 1.05 0.58 0.00 -0.00 0.00 0.00 177.43 179.08 2b8p h ASP 64 N 0.72 0.93 -0.35 0.00 3.32 -0.96 -2.46 116.42 117.62 2b8p h ASP 64 Ca 0.46 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2b8p h ASP 64 Cb 0.72 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2b8p h ASP 64 CO -0.22 0.85 0.08 0.15 -1.72 0.00 0.00 179.24 178.38 2b8p h PHE 65 N 0.95 0.59 0.00 4.55 3.04 -0.86 -0.48 116.94 124.74 2b8p h PHE 65 Ca 0.22 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2b8p h PHE 65 Cb 0.22 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.56 2b8p h PHE 65 CO 0.01 0.60 0.00 -1.33 -2.02 0.00 0.00 178.31 175.57 2b8p n MET 66 N -4.61 0.05 -0.00 1.11 2.81 -0.56 -2.30 117.12 113.62 2b8p n MET 66 Ca -0.01 0.39 0.06 0.00 -1.81 0.00 0.00 57.70 56.32 2b8p n MET 66 Cb 0.20 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.01 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 -1.72 0.00 0.00 2.03 0.31 -0.94 -4.66 118.33 113.35 2b8p n VAL 67 Ca 0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2b8p n VAL 67 Cb 0.12 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -1.67 0.00 -3.05 4.52 3.41 -0.23 -4.75 113.62 111.85 2b8p n SER 68 Ca -0.01 0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 58.84 2b8p n SER 68 Cb 0.26 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 2b8p n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b8p n GLY 69 N -0.42 -0.50 3.82 5.00 0.00 -1.26 -4.89 105.19 106.95 2b8p n GLY 69 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2b8p n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b8p s PRO 70 N -4.13 2.73 0.07 1.61 0.04 -1.20 -4.57 135.00 129.56 2b8p s PRO 70 Ca 0.35 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 2b8p s PRO 70 Cb -0.01 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2b8p s PRO 70 CO 0.24 -1.22 0.06 0.96 0.04 0.00 0.00 177.00 177.08 2b8p s ILE 71 N -3.09 0.18 -0.08 0.56 -5.25 -0.42 -2.66 121.20 110.44 2b8p s ILE 71 Ca 0.59 -1.61 0.00 0.00 -0.99 0.00 0.00 60.65 58.64 2b8p s ILE 71 Cb -0.14 -1.53 0.02 0.00 2.95 0.00 0.00 42.46 43.76 2b8p s ILE 71 CO 0.55 -0.81 -0.07 -0.63 -1.79 0.00 0.00 174.94 172.18 2b8p s ILE 72 N -3.92 0.89 -0.13 8.37 1.01 -0.73 -0.90 121.20 125.80 2b8p s ILE 72 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2b8p s ILE 72 Cb 0.07 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2b8p s ILE 72 CO -0.09 0.33 0.08 -0.94 0.00 0.00 0.00 174.94 174.32 2b8p s SER 73 N 1.36 5.82 0.01 3.58 1.04 -0.23 -0.09 113.70 125.19 2b8p s SER 73 Ca -0.02 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.68 2b8p s SER 73 Cb -0.14 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.11 2b8p s SER 73 CO -0.04 0.33 -0.06 -0.63 0.98 0.00 0.00 173.24 173.82 2b8p s ILE 74 N -0.54 0.44 -0.33 -1.02 1.01 0.50 -1.10 121.20 120.16 2b8p s ILE 74 Ca 0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2b8p s ILE 74 Cb -0.12 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 41.97 2b8p s ILE 74 CO 0.02 -0.03 0.09 -0.69 0.00 0.00 0.00 174.94 174.33 2b8p s VAL 75 N -0.49 3.67 0.05 2.92 1.01 0.08 -0.43 120.40 127.21 2b8p s VAL 75 Ca -0.02 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 2b8p s VAL 75 Cb -0.04 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2b8p s VAL 75 CO -0.00 -0.16 0.35 -0.31 0.00 0.00 0.00 175.10 174.98 2b8p s TYR 76 N 1.38 3.58 -0.05 5.22 1.51 -0.11 -1.04 117.35 127.84 2b8p s TYR 76 Ca -0.02 0.70 0.03 0.00 -1.01 0.00 0.00 57.07 56.77 2b8p s TYR 76 Cb -0.19 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2b8p s TYR 76 CO 0.02 0.55 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.86 2b8p s GLU 77 N -1.87 1.81 0.00 -0.62 2.12 -0.56 -0.99 118.70 118.60 2b8p s GLU 77 Ca 0.31 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.09 2b8p s GLU 77 Cb -0.14 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.73 2b8p s GLU 77 CO 0.18 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 2b8p n GLY 78 N 3.40 -0.12 3.68 -1.50 0.00 -0.77 -2.54 105.19 107.34 2b8p n GLY 78 Ca -0.20 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 4.03 -1.81 2.61 2.01 -1.26 -0.81 115.64 118.41 2b8p s THR 79 Ca 0.00 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.35 2b8p s THR 79 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2b8p s THR 79 CO 0.00 -0.04 0.00 -0.67 -0.69 0.00 0.00 174.62 173.22 2b8p n ASP 80 N 5.73 -5.92 -0.23 3.53 4.64 -1.26 -4.87 116.55 118.16 2b8p n ASP 80 Ca 0.13 0.01 0.04 0.00 -1.38 0.00 0.00 54.79 53.58 2b8p n ASP 80 Cb 0.45 -4.94 0.15 0.00 -1.04 0.00 0.00 41.12 35.74 2b8p n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2b8p h ALA 81 N 0.96 0.85 0.16 -1.67 0.00 -1.76 -1.38 119.26 116.42 2b8p h ALA 81 Ca -0.50 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2b8p h ALA 81 Cb 1.37 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2b8p h ALA 81 CO 0.59 -0.33 -0.45 0.82 0.00 0.00 0.00 179.25 179.88 2b8p h ILE 82 N 0.26 0.11 0.49 0.00 2.04 -1.87 -0.27 117.51 118.27 2b8p h ILE 82 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 2b8p h ILE 82 Cb 0.61 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2b8p h ILE 82 CO -0.48 0.00 -0.23 -1.28 0.00 0.00 0.00 178.15 176.16 2b8p h SER 83 N -0.71 -0.56 -0.57 1.72 0.87 -1.80 -2.31 113.55 110.20 2b8p h SER 83 Ca 0.01 -0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.64 2b8p h SER 83 Cb 0.72 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.73 2b8p h SER 83 CO -0.23 -0.29 0.03 0.11 -0.53 0.00 0.00 176.83 175.91 2b8p h LYS 84 N -0.80 0.14 -0.21 2.24 1.79 -1.22 -0.70 116.57 117.81 2b8p h LYS 84 Ca -0.07 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 2b8p h LYS 84 Cb 0.57 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2b8p h LYS 84 CO 0.11 0.09 -0.41 0.82 -1.08 0.00 0.00 179.45 178.98 2b8p h ILE 85 N 0.14 1.30 -0.74 1.86 2.04 -1.08 -1.99 117.51 119.05 2b8p h ILE 85 Ca 0.29 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.63 2b8p h ILE 85 Cb 0.46 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2b8p h ILE 85 CO -0.46 0.49 0.44 0.03 0.00 0.00 0.00 178.15 178.65 2b8p h ARG 86 N 0.40 0.80 -0.10 2.37 2.47 -0.66 0.12 114.38 119.78 2b8p h ARG 86 Ca 0.03 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2b8p h ARG 86 Cb 0.89 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2b8p h ARG 86 CO 0.08 0.53 -0.29 0.00 0.56 0.00 0.00 179.97 180.84 2b8p h ARG 87 N 0.82 0.18 -0.35 0.04 3.08 -0.81 -0.92 114.38 116.42 2b8p h ARG 87 Ca 0.32 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2b8p h ARG 87 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2b8p h ARG 87 CO -0.16 0.46 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.81 2b8p h LEU 88 N 0.16 0.81 -0.24 3.04 4.07 -0.37 -2.89 115.31 119.88 2b8p h LEU 88 Ca 0.02 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 2b8p h LEU 88 Cb 0.60 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2b8p h LEU 88 CO 0.04 1.07 0.07 -0.61 -1.08 0.00 0.00 178.44 177.93 2b8p h GLN 89 N 0.65 0.39 0.00 1.13 4.15 -0.31 0.32 115.11 121.45 2b8p h GLN 89 Ca 0.07 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2b8p h GLN 89 Cb 0.86 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2b8p h GLN 89 CO 0.08 0.48 0.00 0.41 -1.93 0.00 0.00 178.83 177.87 2b8p n GLY 90 N -0.57 1.43 3.38 2.39 0.00 -0.40 -1.77 105.19 109.67 2b8p n GLY 90 Ca -0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.64 0.61 1.61 2.20 -1.26 -4.75 114.94 109.98 2b8p s ASN 91 Ca 0.00 -1.40 0.30 0.00 -0.94 0.00 0.00 52.86 50.82 2b8p s ASN 91 Cb 0.00 0.54 1.72 0.00 -2.00 0.00 0.00 41.25 41.51 2b8p s ASN 91 CO 0.00 -1.09 2.08 0.40 -2.94 0.00 0.00 177.10 175.56 2b8p h ILE 92 N 2.29 0.35 0.00 0.54 1.08 -1.88 -0.38 117.51 119.52 2b8p h ILE 92 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2b8p h ILE 92 Cb 1.24 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2b8p h ILE 92 CO 0.42 0.00 -1.17 0.18 -0.69 0.00 0.00 178.15 176.88 2b8p n LEU 93 N -3.60 0.61 -4.34 1.44 4.77 -1.26 -4.61 117.00 110.01 2b8p n LEU 93 Ca 0.01 -0.15 -0.46 0.00 -0.03 0.00 0.00 56.01 55.39 2b8p n LEU 93 Cb 0.34 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2b8p n LEU 93 CO 0.25 0.10 0.28 -0.89 -1.33 0.00 0.00 177.39 175.79 2b8p s THR 94 N -3.19 5.10 0.84 -5.08 2.01 -0.88 -5.03 115.64 109.41 2b8p s THR 94 Ca 0.03 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 2b8p s THR 94 Cb 0.15 -4.41 0.10 0.00 0.01 0.00 0.00 72.50 68.35 2b8p s THR 94 CO 0.84 -0.99 1.17 -2.84 -0.69 0.00 0.00 174.62 172.11 2b8p s PRO 95 N 1.88 1.48 0.00 4.92 0.02 -1.26 -2.70 135.00 139.33 2b8p s PRO 95 Ca 0.08 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2b8p s PRO 95 Cb -0.26 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2b8p s PRO 95 CO 0.03 -2.31 0.00 0.41 -0.33 0.00 0.00 177.00 174.80 2b8p n GLY 96 N 0.23 2.55 3.88 0.52 0.00 -1.26 -4.92 105.19 106.19 2b8p n GLY 96 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 3.31 0.09 2.61 -4.23 -1.10 -4.94 115.64 109.10 2b8p s THR 97 Ca 0.00 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 58.97 2b8p s THR 97 Cb 0.00 -3.14 -0.14 0.00 1.34 0.00 0.00 72.50 70.56 2b8p s THR 97 CO 0.00 -0.12 1.74 0.40 -0.54 0.00 0.00 174.62 176.10 2b8p h ILE 98 N 1.13 1.01 -0.07 2.99 2.04 -0.96 0.24 117.51 123.90 2b8p h ILE 98 Ca -0.44 -0.03 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 2b8p h ILE 98 Cb 1.26 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2b8p h ILE 98 CO 0.57 0.01 -0.71 0.03 0.00 0.00 0.00 178.15 178.05 2b8p h ARG 99 N 0.02 0.37 -0.73 2.37 3.08 -1.58 -0.57 114.38 117.34 2b8p h ARG 99 Ca 0.01 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 2b8p h ARG 99 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2b8p h ARG 99 CO -0.00 0.93 0.28 0.78 -1.07 0.00 0.00 179.97 180.89 2b8p h GLY 100 N 1.35 1.17 0.77 0.04 0.00 -0.78 -1.43 103.07 104.18 2b8p h GLY 100 Ca -0.03 -0.64 -0.32 0.00 0.00 0.00 0.00 47.33 46.34 2b8p h GLY 100 CO 0.12 0.60 -1.87 1.22 0.00 0.00 0.00 176.54 176.61 2b8p n ASP 101 N -4.28 1.25 -0.07 0.19 8.00 0.83 -4.49 116.55 117.99 2b8p n ASP 101 Ca 0.06 0.31 0.04 0.00 0.71 0.00 0.00 54.79 55.92 2b8p n ASP 101 Cb 0.19 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.17 0.65 -4.40 0.64 4.77 -0.22 -5.04 117.00 110.22 2b8p n LEU 102 Ca -0.24 -0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 54.94 2b8p n LEU 102 Cb 1.06 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.04 2b8p n LEU 102 CO 0.44 0.15 -0.48 0.00 -1.33 0.00 0.00 177.39 176.16 2b8p s ALA 103 N -1.69 2.35 -0.35 -1.18 0.00 -0.54 -5.01 121.76 115.35 2b8p s ALA 103 Ca 0.05 -1.68 0.15 0.00 0.00 0.00 0.00 51.96 50.48 2b8p s ALA 103 Cb 0.07 -0.22 0.43 0.00 0.00 0.00 0.00 23.12 23.41 2b8p s ALA 103 CO 0.33 0.26 1.13 -1.71 0.00 0.00 0.00 175.76 175.77 2b8p n ASN 104 N -0.13 0.11 -3.64 0.00 5.15 -1.26 -4.74 115.26 110.75 2b8p n ASN 104 Ca -0.09 -2.57 -0.10 0.00 -0.60 0.00 0.00 54.58 51.22 2b8p n ASN 104 Cb 0.58 0.09 -0.07 0.00 -0.53 0.00 0.00 39.78 39.85 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 -2.37 -0.60 0.33 1.20 -1.08 -1.26 -5.05 116.67 107.83 2b8p s ASP 105 Ca 0.25 1.13 0.26 0.00 -0.52 0.00 0.00 52.55 53.66 2b8p s ASP 105 Cb 0.43 1.16 0.84 0.00 -1.46 0.00 0.00 42.92 43.89 2b8p s ASP 105 CO -0.02 -0.19 1.76 0.16 0.52 0.00 0.00 175.17 177.40 2b8p h ILE 106 N 3.98 0.00 0.00 4.11 -2.65 -2.00 -3.30 117.51 117.65 2b8p h ILE 106 Ca -0.29 -0.54 -0.11 0.00 1.03 0.00 0.00 64.86 64.96 2b8p h ILE 106 Cb 1.18 1.48 -0.02 0.00 -2.05 0.00 0.00 36.82 37.41 2b8p h ILE 106 CO 0.10 0.00 -1.29 -1.14 0.03 0.00 0.00 178.15 175.84 2b8p n ARG 107 N -2.57 0.50 -2.41 0.16 0.63 -1.26 -4.68 116.66 107.02 2b8p n ARG 107 Ca 0.04 0.21 -0.43 0.00 -0.92 0.00 0.00 57.85 56.74 2b8p n ARG 107 Cb 0.38 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2b8p n ARG 107 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2b8p n GLU 108 N -4.33 3.20 -0.58 -0.14 1.02 -1.26 -4.70 120.64 113.85 2b8p n GLU 108 Ca -0.22 -3.26 0.04 0.00 -0.02 0.00 0.00 57.16 53.71 2b8p n GLU 108 Cb 0.57 -3.29 0.25 0.00 -0.02 0.00 0.00 31.44 28.96 2b8p n GLU 108 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2b8p n ASN 109 N 6.72 3.71 0.00 1.62 0.23 -1.24 -4.23 115.26 122.06 2b8p n ASN 109 Ca 0.46 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.32 2b8p n ASN 109 Cb 0.42 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 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 -0.60 0.00 -3.74 -4.53 4.77 -1.26 -4.78 117.00 106.85 2b8p n LEU 110 Ca 0.26 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2b8p n LEU 110 Cb 0.98 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.00 2b8p n LEU 110 CO 0.19 0.00 0.04 -0.51 -1.33 0.00 0.00 177.39 175.78 2b8p s ILE 111 N 0.00 0.08 -0.01 -0.08 2.07 -1.26 -1.93 121.20 120.07 2b8p s ILE 111 Ca 0.00 -0.65 0.03 0.00 -1.41 0.00 0.00 60.65 58.63 2b8p s ILE 111 Cb 0.00 -0.93 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 2b8p s ILE 111 CO 0.00 -0.36 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.28 2b8p s HIS 112 N -2.50 1.05 -0.01 3.50 5.65 0.05 -4.96 115.29 118.07 2b8p s HIS 112 Ca -0.05 -0.22 0.01 0.00 0.25 0.00 0.00 55.06 55.05 2b8p s HIS 112 Cb -0.01 -0.69 0.00 0.00 -1.18 0.00 0.00 32.58 30.70 2b8p s HIS 112 CO -0.03 -0.04 -0.04 0.00 -0.65 0.00 0.00 174.74 173.98 2b8p s ALA 113 N -0.16 0.40 0.25 1.58 0.00 -1.26 -0.06 121.76 122.50 2b8p s ALA 113 Ca 0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 2b8p s ALA 113 Cb -0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 23.12 22.77 2b8p s ALA 113 CO -0.00 0.06 1.28 0.43 0.00 0.00 0.00 175.76 177.53 2b8p n SER 114 N 3.23 2.22 0.05 0.00 7.64 -0.48 -4.90 113.62 121.36 2b8p n SER 114 Ca -0.16 1.16 0.11 0.00 1.01 0.00 0.00 58.87 60.99 2b8p n SER 114 Cb 0.57 -1.37 0.06 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.79 0.64 -3.70 6.43 5.75 -1.26 -4.67 116.55 121.52 2b8p n ASP 115 Ca 0.11 -0.03 -0.10 0.00 -0.01 0.00 0.00 54.79 54.76 2b8p n ASP 115 Cb 0.31 0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 40.97 2b8p n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2b8p s SER 116 N -4.23 -0.29 0.26 -1.12 1.04 -1.26 -4.91 113.70 103.19 2b8p s SER 116 Ca 0.03 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 2b8p s SER 116 Cb 0.13 0.58 0.48 0.00 0.10 0.00 0.00 66.02 67.31 2b8p s SER 116 CO 0.78 -1.04 1.80 -0.33 0.98 0.00 0.00 173.24 175.43 2b8p h GLU 117 N 2.18 0.77 0.27 4.02 5.08 -1.96 0.42 114.58 125.36 2b8p h GLU 117 Ca -0.29 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2b8p h GLU 117 Cb 1.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2b8p h GLU 117 CO 0.37 0.51 -0.13 0.22 -1.00 0.00 0.00 179.01 178.98 2b8p h ASP 118 N 0.79 -0.31 -0.21 1.42 3.58 -2.00 -2.12 116.42 117.58 2b8p h ASP 118 Ca 0.44 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.80 2b8p h ASP 118 Cb 0.49 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2b8p h ASP 118 CO -0.29 -0.02 -0.22 0.28 -2.88 0.00 0.00 179.24 176.12 2b8p h SER 119 N -0.61 -0.69 -0.67 2.28 0.02 -1.74 -2.08 113.55 110.06 2b8p h SER 119 Ca -0.04 0.13 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2b8p h SER 119 Cb 0.44 0.33 -0.10 0.00 0.14 0.00 0.00 62.40 63.21 2b8p h SER 119 CO 0.06 -0.26 0.16 0.00 -1.14 0.00 0.00 176.83 175.65 2b8p h ALA 120 N 0.81 0.84 -0.22 3.77 0.00 -0.15 0.35 119.26 124.65 2b8p h ALA 120 Ca 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2b8p h ALA 120 Cb 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2b8p h ALA 120 CO -0.34 -0.31 0.10 0.28 0.00 0.00 0.00 179.25 178.98 2b8p h VAL 121 N 0.28 1.14 -0.35 0.00 2.07 -0.75 0.11 116.25 118.76 2b8p h VAL 121 Ca 0.36 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2b8p h VAL 121 Cb 0.58 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2b8p h VAL 121 CO -0.45 0.14 -0.07 0.44 0.02 0.00 0.00 177.57 177.65 2b8p h ASP 122 N 0.22 0.67 -0.77 0.57 3.32 -0.78 -2.04 116.42 117.61 2b8p h ASP 122 Ca 0.08 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 2b8p h ASP 122 Cb 0.13 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2b8p h ASP 122 CO -0.01 0.87 0.31 -0.33 -1.72 0.00 0.00 179.24 178.37 2b8p h GLU 123 N 0.46 1.16 -0.03 3.56 5.08 -0.23 -0.25 114.58 124.33 2b8p h GLU 123 Ca 0.09 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 2b8p h GLU 123 Cb 0.57 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2b8p h GLU 123 CO 0.03 0.93 -0.39 0.82 -1.00 0.00 0.00 179.01 179.40 2b8p h ILE 124 N 1.13 1.29 -0.37 3.13 2.04 -0.69 -2.46 117.51 121.58 2b8p h ILE 124 Ca 0.26 -1.37 -0.16 0.00 1.00 0.00 0.00 64.86 64.58 2b8p h ILE 124 Cb 0.20 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2b8p h ILE 124 CO -0.02 0.40 -0.41 0.28 0.00 0.00 0.00 178.15 178.40 2b8p h SER 125 N 0.05 1.01 -0.40 1.72 0.02 -0.56 0.72 113.55 116.11 2b8p h SER 125 Ca 0.00 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 2b8p h SER 125 Cb 0.71 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2b8p h SER 125 CO 0.05 1.28 0.02 0.40 -1.14 0.00 0.00 176.83 177.44 2b8p h ILE 126 N 0.76 1.26 0.00 3.27 2.04 -0.82 -3.08 117.51 120.93 2b8p h ILE 126 Ca 0.05 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2b8p h ILE 126 Cb 1.01 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2b8p h ILE 126 CO 0.10 0.33 -1.35 0.79 0.00 0.00 0.00 178.15 178.02 2b8p n TRP 127 N -4.47 0.35 -3.21 1.37 7.02 -0.95 -4.66 117.44 112.89 2b8p n TRP 127 Ca -0.01 0.10 -0.24 0.00 -1.02 0.00 0.00 57.50 56.33 2b8p n TRP 127 Cb 0.27 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 28.52 2b8p n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2b8p n PHE 128 N -2.23 -0.63 1.06 -5.99 3.72 0.25 -5.03 117.46 108.61 2b8p n PHE 128 Ca -0.01 -3.42 0.08 0.00 -0.05 0.00 0.00 57.45 54.06 2b8p n PHE 128 Cb 0.51 -0.14 0.50 0.00 -0.94 0.00 0.00 39.48 39.41 2b8p n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36