#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5y s LYS 2 N 0.00 3.32 -0.75 0.03 1.02 -1.26 -4.90 119.74 117.19 2b5y s LYS 2 Ca 0.00 1.71 -0.06 0.00 0.02 0.00 0.00 55.97 57.65 2b5y s LYS 2 Cb 0.00 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 2b5y s LYS 2 CO 0.00 -0.90 2.32 1.28 -0.92 0.00 0.00 175.35 177.13 2b5y n LEU 3 N -1.23 4.98 0.00 3.17 4.77 -1.26 -1.59 117.00 125.84 2b5y n LEU 3 Ca 0.11 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 2b5y n LEU 3 Cb 0.50 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2b5y n LEU 3 CO 0.44 0.88 0.00 -1.14 -1.33 0.00 0.00 177.39 176.24 2b5y n ARG 4 N 3.71 0.00 -1.79 3.23 3.00 -0.98 -4.70 116.66 119.13 2b5y n ARG 4 Ca 0.44 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.92 2b5y n ARG 4 Cb 0.27 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.78 2b5y n ARG 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2b5y s GLN 5 N -0.89 2.81 1.08 -0.14 -0.21 -0.62 -4.08 119.66 117.62 2b5y s GLN 5 Ca 0.00 2.10 -0.15 0.00 0.02 0.00 0.00 55.36 57.33 2b5y s GLN 5 Cb 0.00 -2.00 0.23 0.00 1.00 0.00 0.00 33.01 32.24 2b5y s GLN 5 CO 0.00 -1.41 1.10 -1.25 -2.12 0.00 0.00 175.29 171.61 2b5y s PRO 6 N -3.20 -0.27 0.45 2.91 0.04 -1.26 -0.28 135.00 133.38 2b5y s PRO 6 Ca 0.78 0.27 -0.23 0.00 0.04 0.00 0.00 61.00 61.86 2b5y s PRO 6 Cb -0.38 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2b5y s PRO 6 CO 0.42 -3.15 0.98 -1.33 0.04 0.00 0.00 177.00 173.96 2b5y n MET 7 N -4.43 1.27 -0.65 4.56 2.81 -1.24 -4.80 117.12 114.65 2b5y n MET 7 Ca 0.08 0.46 -0.15 0.00 -1.81 0.00 0.00 57.70 56.28 2b5y n MET 7 Cb 0.58 -2.04 0.12 0.00 -0.71 0.00 0.00 33.22 31.17 2b5y n MET 7 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2b5y n PRO 8 N 0.01 -1.68 -1.96 0.03 -0.04 -1.26 -4.96 135.00 125.13 2b5y n PRO 8 Ca 0.10 -0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 62.21 2b5y n PRO 8 Cb 0.40 -0.79 -0.03 0.00 -0.04 0.00 0.00 33.50 33.05 2b5y n PRO 8 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2b5y s GLU 9 N -4.32 4.22 -1.17 0.54 -1.05 -1.26 -4.89 118.70 110.77 2b5y s GLU 9 Ca 0.37 2.31 -0.05 0.00 -0.15 0.00 0.00 54.97 57.45 2b5y s GLU 9 Cb -0.03 -3.31 0.23 0.00 -0.44 0.00 0.00 34.13 30.59 2b5y s GLU 9 CO 0.27 -0.63 1.88 1.28 0.95 0.00 0.00 175.26 179.01 2b5y n LEU 10 N 4.49 7.10 -4.72 1.83 4.77 -1.26 -4.83 117.00 124.37 2b5y n LEU 10 Ca 0.14 -5.04 -0.35 0.00 -0.03 0.00 0.00 56.01 50.73 2b5y n LEU 10 Cb 0.40 -1.32 0.09 0.00 -2.33 0.00 0.00 43.42 40.26 2b5y n LEU 10 CO 0.61 1.79 0.84 0.42 -1.33 0.00 0.00 177.39 179.72 2b5y s THR 11 N -2.00 2.13 -0.48 -5.08 -4.23 -1.26 -5.00 115.64 99.72 2b5y s THR 11 Ca 0.40 0.07 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 2b5y s THR 11 Cb 0.13 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.46 2b5y s THR 11 CO -0.02 -0.03 0.98 0.61 -0.54 0.00 0.00 174.62 175.62 2b5y n GLY 12 N 0.64 0.22 0.32 3.99 0.00 -1.26 -4.50 105.19 104.60 2b5y n GLY 12 Ca 0.14 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.45 2b5y n GLY 12 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b5y h GLU 13 N 3.62 0.00 0.12 1.61 4.57 -1.86 -2.66 114.58 119.98 2b5y h GLU 13 Ca -0.13 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2b5y h GLU 13 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2b5y h GLU 13 CO 0.25 0.00 -0.06 -0.22 -1.18 0.00 0.00 179.01 177.80 2b5y h LYS 14 N 0.00 -0.16 -1.61 1.92 3.11 -1.47 -3.43 116.57 114.92 2b5y h LYS 14 Ca 0.03 0.01 0.39 0.00 -2.81 0.00 0.00 60.65 58.28 2b5y h LYS 14 Cb 0.23 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.39 2b5y h LYS 14 CO -0.00 -0.11 0.98 0.00 -2.81 0.00 0.00 179.45 177.51 2b5y s ALA 15 N -3.23 -2.62 0.48 5.00 0.00 -1.00 -5.01 121.76 115.38 2b5y s ALA 15 Ca -0.02 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2b5y s ALA 15 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2b5y s ALA 15 CO 0.07 -1.12 0.84 1.67 0.00 0.00 0.00 175.76 177.22 2b5y s TRP 16 N -2.04 3.53 -0.04 0.00 1.48 -1.26 -1.10 118.94 119.50 2b5y s TRP 16 Ca 0.24 1.04 -0.14 0.00 -1.06 0.00 0.00 56.10 56.18 2b5y s TRP 16 Cb 0.03 -2.47 0.03 0.00 -1.16 0.00 0.00 33.47 29.90 2b5y s TRP 16 CO -0.04 -0.29 0.31 -1.17 -4.06 0.00 0.00 176.95 171.70 2b5y s LEU 17 N -4.43 0.84 0.00 -4.66 2.96 0.12 -4.89 118.68 108.62 2b5y s LEU 17 Ca 0.51 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2b5y s LEU 17 Cb -0.10 1.22 0.00 0.00 0.50 0.00 0.00 46.19 47.80 2b5y s LEU 17 CO 0.40 -0.35 0.00 0.59 -1.32 0.00 0.00 176.35 175.67 2b5y n ASN 18 N 1.73 0.00 0.00 3.68 3.02 -1.26 -0.41 115.26 122.02 2b5y n ASN 18 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2b5y n ASN 18 Cb 0.56 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2b5y n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b5y n GLY 19 N -1.85 2.42 3.05 7.41 0.00 -1.26 -4.50 105.19 110.46 2b5y n GLY 19 Ca 0.00 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 2b5y n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5y s GLU 20 N -2.01 1.09 0.21 1.61 2.12 -1.26 -4.16 118.70 116.31 2b5y s GLU 20 Ca 0.00 -0.40 -0.15 0.00 0.36 0.00 0.00 54.97 54.78 2b5y s GLU 20 Cb 0.00 -1.02 0.01 0.00 0.26 0.00 0.00 34.13 33.39 2b5y s GLU 20 CO 0.00 0.19 0.49 0.14 -0.54 0.00 0.00 175.26 175.54 2b5y s VAL 21 N -0.01 0.03 0.24 3.70 -7.23 -1.26 -5.11 120.40 110.75 2b5y s VAL 21 Ca -0.00 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2b5y s VAL 21 Cb -0.07 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2b5y s VAL 21 CO 0.00 -0.11 0.16 0.42 -0.31 0.00 0.00 175.10 175.25 2b5y s THR 22 N -3.93 0.10 0.14 5.32 -4.23 -1.26 -5.04 115.64 106.74 2b5y s THR 22 Ca 0.14 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 2b5y s THR 22 Cb -0.01 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2b5y s THR 22 CO 0.01 0.00 1.64 -0.09 -0.54 0.00 0.00 174.62 175.65 2b5y h ARG 23 N 2.46 -0.24 0.00 3.99 2.43 -1.98 -3.19 114.38 117.86 2b5y h ARG 23 Ca -0.34 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 2b5y h ARG 23 Cb 1.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2b5y h ARG 23 CO 0.51 -0.16 -0.33 0.93 -1.51 0.00 0.00 179.97 179.41 2b5y h GLU 24 N -0.25 0.00 0.00 0.20 5.08 -1.96 -0.41 114.58 117.24 2b5y h GLU 24 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2b5y h GLU 24 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2b5y h GLU 24 CO -0.31 0.33 -0.44 1.96 -1.00 0.00 0.00 179.01 179.55 2b5y h GLN 25 N 0.00 0.00 0.00 2.33 4.20 -1.96 -3.34 115.11 116.35 2b5y h GLN 25 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2b5y h GLN 25 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2b5y h GLN 25 CO 0.04 0.44 0.00 1.47 -0.67 0.00 0.00 178.83 180.11 2b5y n LEU 26 N -3.91 0.15 -4.74 1.46 -0.00 -1.11 -5.02 117.00 103.83 2b5y n LEU 26 Ca -0.01 -0.52 -0.33 0.00 -0.00 0.00 0.00 56.01 55.15 2b5y n LEU 26 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.99 2b5y n LEU 26 CO 0.39 0.04 0.74 -0.63 -0.00 0.00 0.00 177.39 177.93 2b5y s ILE 27 N -0.73 2.78 0.00 1.47 -1.09 -0.18 -4.64 121.20 118.81 2b5y s ILE 27 Ca 0.00 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2b5y s ILE 27 Cb 0.00 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2b5y s ILE 27 CO 0.00 -0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.07 2b5y n GLY 28 N -0.24 3.60 0.00 6.18 0.00 -0.83 -4.93 105.19 108.97 2b5y n GLY 28 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2b5y n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5y n GLU 29 N 0.00 1.07 -3.76 1.61 2.13 -1.22 -4.79 120.64 115.68 2b5y n GLU 29 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2b5y n GLU 29 Cb 0.00 -0.27 -0.07 0.00 0.27 0.00 0.00 31.44 31.38 2b5y n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b5y s LYS 30 N -0.66 3.80 1.07 5.31 -0.14 -1.26 -4.76 119.74 123.09 2b5y s LYS 30 Ca 0.00 -0.09 -0.12 0.00 -1.36 0.00 0.00 55.97 54.40 2b5y s LYS 30 Cb 0.00 -3.29 0.23 0.00 -1.68 0.00 0.00 37.83 33.09 2b5y s LYS 30 CO 0.00 0.57 1.06 -1.25 -0.76 0.00 0.00 175.35 174.97 2b5y s PRO 31 N -0.45 -0.15 0.01 -1.68 0.04 -1.26 -4.27 135.00 127.24 2b5y s PRO 31 Ca 0.14 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.92 2b5y s PRO 31 Cb -0.12 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2b5y s PRO 31 CO 0.03 -3.17 -0.15 0.99 0.04 0.00 0.00 177.00 174.74 2b5y s THR 32 N -2.73 1.16 -0.14 1.26 2.01 -0.33 -0.64 115.64 116.24 2b5y s THR 32 Ca 0.67 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 2b5y s THR 32 Cb -0.21 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.32 2b5y s THR 32 CO 0.61 0.21 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.43 2b5y s LEU 33 N -0.66 1.45 -0.16 4.42 1.98 -0.50 -0.66 118.68 124.55 2b5y s LEU 33 Ca 0.04 -0.43 -0.06 0.00 -2.89 0.00 0.00 54.13 50.79 2b5y s LEU 33 Cb -0.06 -0.98 -0.04 0.00 0.66 0.00 0.00 46.19 45.77 2b5y s LEU 33 CO 0.00 -0.11 0.02 -0.63 -1.89 0.00 0.00 176.35 173.75 2b5y s ILE 34 N 1.61 4.44 0.10 6.68 1.01 -0.38 -0.65 121.20 134.02 2b5y s ILE 34 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.61 2b5y s ILE 34 Cb -0.13 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2b5y s ILE 34 CO -0.09 0.49 -0.21 -1.38 0.00 0.00 0.00 174.94 173.76 2b5y s HIS 35 N 0.20 1.76 -0.04 3.97 -3.43 -0.98 -1.00 115.29 115.77 2b5y s HIS 35 Ca 0.02 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 2b5y s HIS 35 Cb -0.13 -0.97 -0.03 0.00 -1.43 0.00 0.00 32.58 30.02 2b5y s HIS 35 CO 0.01 0.19 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.86 2b5y s PHE 36 N -1.15 3.05 0.35 0.38 0.40 0.42 -0.22 117.98 121.22 2b5y s PHE 36 Ca 0.06 0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.33 2b5y s PHE 36 Cb -0.10 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.76 2b5y s PHE 36 CO 0.04 0.42 0.72 1.67 0.70 0.00 0.00 175.22 178.78 2b5y s TRP 37 N -0.95 0.17 0.07 0.36 1.48 -0.82 -2.71 118.94 116.54 2b5y s TRP 37 Ca 0.16 -0.73 -0.09 0.00 -1.06 0.00 0.00 56.10 54.37 2b5y s TRP 37 Cb -0.11 0.68 0.00 0.00 -1.16 0.00 0.00 33.47 32.88 2b5y s TRP 37 CO 0.06 -1.42 0.19 -1.12 -4.06 0.00 0.00 176.95 170.60 2b5y s SER 38 N -3.05 0.09 0.56 -2.66 0.01 -1.26 -2.11 113.70 105.27 2b5y s SER 38 Ca 0.16 -0.57 0.25 0.00 1.31 0.00 0.00 55.95 57.10 2b5y s SER 38 Cb -0.05 0.33 1.52 0.00 0.21 0.00 0.00 66.02 68.03 2b5y s SER 38 CO 0.11 -0.68 2.12 0.16 0.41 0.00 0.00 173.24 175.36 2b5y h ILE 39 N 2.94 0.68 -2.04 1.44 3.07 -1.90 -3.32 117.51 118.38 2b5y h ILE 39 Ca -0.33 0.00 -0.51 0.00 1.55 0.00 0.00 64.86 65.57 2b5y h ILE 39 Cb 1.20 0.89 -0.40 0.00 -0.27 0.00 0.00 36.82 38.23 2b5y h ILE 39 CO 0.54 0.00 -1.11 -1.20 -1.05 0.00 0.00 178.15 175.33 2b5y n SER 40 N -4.13 1.30 -4.17 2.16 7.64 -1.26 -4.98 113.62 110.17 2b5y n SER 40 Ca 0.01 -3.07 -0.19 0.00 1.01 0.00 0.00 58.87 56.62 2b5y n SER 40 Cb 0.28 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5y s HIS 42 N -1.14 2.10 0.00 0.00 3.76 -1.26 -2.86 115.29 115.89 2b5y s HIS 42 Ca -0.00 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 2b5y s HIS 42 Cb -0.09 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 29.95 2b5y s HIS 42 CO 0.02 -2.82 0.00 -0.11 -0.85 0.00 0.00 174.74 170.98 2b5y n LEU 43 N -2.00 0.00 -0.14 0.89 -0.00 -1.26 -4.58 117.00 109.91 2b5y n LEU 43 Ca 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.23 2b5y n LEU 43 Cb 0.49 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 44.28 2b5y n LEU 43 CO 0.47 0.00 1.21 0.00 -0.00 0.00 0.00 177.39 179.06 2b5y h LYS 45 N 0.69 0.00 0.00 0.00 5.09 -1.78 0.86 116.57 121.43 2b5y h LYS 45 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.92 2b5y h LYS 45 Cb 0.24 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.55 2b5y h LYS 45 CO -0.09 0.00 -1.56 0.39 -2.09 0.00 0.00 179.45 176.10 2b5y n GLU 46 N -2.55 1.64 0.08 0.07 1.02 0.20 -4.50 120.64 116.59 2b5y n GLU 46 Ca -0.02 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2b5y n GLU 46 Cb 0.25 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 2b5y n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b5y h ALA 47 N 0.63 -0.12 -0.24 0.62 0.00 -0.26 -2.80 119.26 117.08 2b5y h ALA 47 Ca -0.15 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2b5y h ALA 47 Cb 1.13 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2b5y h ALA 47 CO 0.01 -0.53 -0.14 0.52 0.00 0.00 0.00 179.25 179.10 2b5y h MET 48 N -0.20 -0.12 -0.46 0.00 2.86 -1.11 0.23 114.93 116.13 2b5y h MET 48 Ca -0.01 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2b5y h MET 48 Cb 0.16 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2b5y h MET 48 CO 0.02 -0.08 -0.04 -1.00 1.06 0.00 0.00 176.91 176.87 2b5y h PRO 49 N -0.12 0.79 0.03 -0.22 0.13 -1.79 -2.23 132.00 128.59 2b5y h PRO 49 Ca 0.13 -0.23 -0.22 0.00 -0.87 0.00 0.00 66.00 64.81 2b5y h PRO 49 Cb 0.32 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 2b5y h PRO 49 CO -0.32 0.82 -1.04 0.37 -0.23 0.00 0.00 178.00 177.61 2b5y h GLN 50 N 0.73 0.07 -0.19 0.86 4.15 -1.07 -2.46 115.11 117.19 2b5y h GLN 50 Ca 0.14 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2b5y h GLN 50 Cb 0.50 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2b5y h GLN 50 CO 0.03 1.04 -0.01 0.28 -1.93 0.00 0.00 178.83 178.23 2b5y h VAL 51 N 0.02 0.85 -0.68 2.39 2.07 -0.56 -0.31 116.25 120.03 2b5y h VAL 51 Ca -0.04 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2b5y h VAL 51 Cb 1.78 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.26 2b5y h VAL 51 CO 0.15 0.01 0.24 -1.13 0.02 0.00 0.00 177.57 176.86 2b5y h ASN 52 N 0.05 0.21 0.64 0.57 -1.24 -1.12 0.12 115.58 114.82 2b5y h ASN 52 Ca 0.09 0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 2b5y h ASN 52 Cb 0.12 0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.27 2b5y h ASN 52 CO -0.16 0.10 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.43 2b5y h GLU 53 N 0.40 -0.83 0.00 6.67 4.39 -0.97 -2.59 114.58 121.65 2b5y h GLU 53 Ca 0.36 0.06 -0.05 0.00 0.34 0.00 0.00 59.36 60.07 2b5y h GLU 53 Cb 0.51 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2b5y h GLU 53 CO -0.37 -0.53 -0.22 0.27 -1.16 0.00 0.00 179.01 177.00 2b5y h PHE 54 N -1.17 0.00 -0.12 4.33 -5.15 -0.88 -0.23 116.94 113.73 2b5y h PHE 54 Ca -0.09 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.72 2b5y h PHE 54 Cb 0.69 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.82 2b5y h PHE 54 CO 0.00 0.22 -0.11 -0.09 -2.00 0.00 0.00 178.31 176.34 2b5y h ARG 55 N 0.00 -0.13 -0.32 6.09 1.12 -0.78 -0.80 114.38 119.56 2b5y h ARG 55 Ca -0.00 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.74 2b5y h ARG 55 Cb 0.48 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2b5y h ARG 55 CO 0.03 -0.08 -0.34 0.22 -3.11 0.00 0.00 179.97 176.69 2b5y h ASP 56 N -0.13 0.86 0.10 -3.80 3.58 -0.69 0.17 116.42 116.51 2b5y h ASP 56 Ca 0.08 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 57.02 2b5y h ASP 56 Cb 0.25 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2b5y h ASP 56 CO -0.20 1.16 -0.15 0.11 -2.88 0.00 0.00 179.24 177.29 2b5y h LYS 57 N 0.58 0.11 0.00 0.28 1.57 -1.02 -3.31 116.57 114.78 2b5y h LYS 57 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2b5y h LYS 57 Cb 0.92 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2b5y h LYS 57 CO 0.08 0.26 0.00 0.66 -0.57 0.00 0.00 179.45 179.88 2b5y n TYR 58 N -4.31 0.00 -0.01 -1.35 4.01 -0.32 -4.87 117.16 110.30 2b5y n TYR 58 Ca -0.02 -0.25 0.23 0.00 -0.16 0.00 0.00 57.90 57.70 2b5y n TYR 58 Cb 0.25 -0.03 0.72 0.00 -0.31 0.00 0.00 39.34 39.97 2b5y n TYR 58 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 2b5y h GLN 59 N 0.00 0.00 -0.20 -0.72 -0.00 -0.76 0.13 115.11 113.57 2b5y h GLN 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2b5y h GLN 59 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 2b5y h GLN 59 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 2b5y n ASP 60 N -3.97 2.89 0.00 0.06 2.03 -1.26 -4.39 116.55 111.92 2b5y n ASP 60 Ca 0.11 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.51 2b5y n ASP 60 Cb 0.75 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2b5y n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n GLN 61 N 1.18 2.45 -4.11 -0.67 6.02 0.22 -5.05 117.38 117.42 2b5y n GLN 61 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.98 2b5y n GLN 61 Cb 0.55 -0.79 -0.16 0.00 1.02 0.00 0.00 30.24 30.85 2b5y n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5y s LEU 62 N -1.90 1.44 -1.41 1.08 2.96 0.20 -4.31 118.68 116.74 2b5y s LEU 62 Ca 0.00 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 2b5y s LEU 62 Cb 0.00 -0.35 0.08 0.00 0.50 0.00 0.00 46.19 46.42 2b5y s LEU 62 CO 0.00 -0.04 2.16 0.59 -1.32 0.00 0.00 176.35 177.74 2b5y n ASN 63 N 3.82 4.70 -4.73 3.68 3.02 0.19 -4.60 115.26 121.33 2b5y n ASN 63 Ca -0.23 -2.93 -0.41 0.00 -0.03 0.00 0.00 54.58 50.98 2b5y n ASN 63 Cb 0.52 -1.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.08 2b5y n ASN 63 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2b5y s VAL 64 N 2.05 3.60 0.06 2.41 0.11 -1.26 -1.40 120.40 125.97 2b5y s VAL 64 Ca 0.46 1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 60.80 2b5y s VAL 64 Cb 0.13 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2b5y s VAL 64 CO -0.06 0.19 0.01 0.68 -3.33 0.00 0.00 175.10 172.59 2b5y s VAL 65 N 0.16 0.20 0.28 2.04 -7.23 0.18 -4.46 120.40 111.56 2b5y s VAL 65 Ca 0.54 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 2b5y s VAL 65 Cb -0.33 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 2b5y s VAL 65 CO 0.35 -0.89 -0.07 0.00 -0.31 0.00 0.00 175.10 174.18 2b5y s ALA 66 N -3.93 2.34 -0.07 1.32 0.00 -0.26 -2.32 121.76 118.84 2b5y s ALA 66 Ca 0.09 -1.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.14 2b5y s ALA 66 Cb 0.08 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2b5y s ALA 66 CO -0.09 -0.05 0.04 0.08 0.00 0.00 0.00 175.76 175.74 2b5y s VAL 67 N -2.99 0.11 -0.29 0.00 1.01 0.70 -0.69 120.40 118.25 2b5y s VAL 67 Ca 0.29 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2b5y s VAL 67 Cb 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2b5y s VAL 67 CO 0.12 0.17 0.21 -2.28 0.00 0.00 0.00 175.10 173.32 2b5y s HIS 68 N 2.08 3.22 -0.19 5.22 2.46 -0.07 -1.94 115.29 126.07 2b5y s HIS 68 Ca 0.05 0.12 0.01 0.00 0.47 0.00 0.00 55.06 55.70 2b5y s HIS 68 Cb -0.13 -2.41 0.04 0.00 -0.13 0.00 0.00 32.58 29.95 2b5y s HIS 68 CO -0.04 -0.19 -0.12 0.00 -2.47 0.00 0.00 174.74 171.92 2b5y s MET 69 N 1.79 2.15 0.90 2.88 0.23 -0.90 -0.85 119.30 125.50 2b5y s MET 69 Ca 0.08 -0.81 -0.11 0.00 -1.03 0.00 0.00 55.69 53.81 2b5y s MET 69 Cb -0.16 -2.39 0.11 0.00 -1.53 0.00 0.00 34.83 30.86 2b5y s MET 69 CO 0.11 -0.39 0.98 -2.30 -2.03 0.00 0.00 175.02 171.40 2b5y n PRO 70 N 4.69 -0.30 0.00 3.16 -0.02 -1.26 -4.55 135.00 136.72 2b5y n PRO 70 Ca -0.15 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2b5y n PRO 70 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2b5y n PRO 70 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2b5y n ARG 71 N -3.45 3.53 -3.80 -0.52 3.00 -1.26 -4.64 116.66 109.51 2b5y n ARG 71 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.85 2b5y n ARG 71 Cb 0.52 -0.47 -0.06 0.00 0.00 0.00 0.00 32.46 32.45 2b5y n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2b5y s SER 72 N -0.80 -0.09 0.59 0.55 0.01 -1.26 -5.03 113.70 107.67 2b5y s SER 72 Ca 0.00 -0.59 0.36 0.00 1.31 0.00 0.00 55.95 57.03 2b5y s SER 72 Cb 0.00 0.46 1.84 0.00 0.21 0.00 0.00 66.02 68.53 2b5y s SER 72 CO 0.00 -0.89 2.18 1.05 0.41 0.00 0.00 173.24 175.99 2b5y h GLU 73 N 2.45 0.00 -0.61 12.44 4.11 -2.00 -1.18 114.58 129.79 2b5y h GLU 73 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2b5y h GLU 73 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2b5y h GLU 73 CO 0.47 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.18 2b5y n ASP 74 N -3.29 4.79 -0.08 3.06 5.75 -1.26 -4.11 116.55 121.42 2b5y n ASP 74 Ca -0.02 -2.52 0.02 0.00 -0.01 0.00 0.00 54.79 52.26 2b5y n ASP 74 Cb 0.18 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.73 2b5y n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2b5y n ASP 75 N 0.96 1.41 0.00 -1.12 2.03 -0.45 -4.71 116.55 114.66 2b5y n ASP 75 Ca 0.25 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.52 2b5y n ASP 75 Cb 0.92 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2b5y n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n LEU 76 N -0.55 0.61 -4.59 -2.67 -0.00 -1.19 -4.11 117.00 104.49 2b5y n LEU 76 Ca 0.04 -0.61 -0.45 0.00 -0.00 0.00 0.00 56.01 54.98 2b5y n LEU 76 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.83 2b5y n LEU 76 CO 0.00 0.15 1.74 -0.67 -0.00 0.00 0.00 177.39 178.62 2b5y n ASP 77 N -0.01 3.22 -0.30 1.45 -0.08 -1.26 -4.87 116.55 114.70 2b5y n ASP 77 Ca 0.00 0.48 0.13 0.00 -1.51 0.00 0.00 54.79 53.89 2b5y n ASP 77 Cb 0.10 -1.46 0.36 0.00 2.34 0.00 0.00 41.12 42.45 2b5y n ASP 77 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b5y h PRO 78 N 12.87 0.70 -0.15 -0.67 0.11 -1.98 -0.88 132.00 141.99 2b5y h PRO 78 Ca -0.41 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2b5y h PRO 78 Cb 1.26 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b5y h PRO 78 CO 0.97 0.46 -0.17 0.78 -0.21 0.00 0.00 178.00 179.83 2b5y h GLY 79 N 0.72 0.41 1.89 -0.55 0.00 -1.99 -2.79 103.07 100.75 2b5y h GLY 79 Ca 0.50 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 2b5y h GLY 79 CO -0.26 0.39 -0.45 1.70 0.00 0.00 0.00 176.54 177.92 2b5y h LYS 80 N -0.01 0.12 0.50 4.80 3.64 -1.72 0.15 116.57 124.07 2b5y h LYS 80 Ca 0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2b5y h LYS 80 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2b5y h LYS 80 CO 0.04 0.55 -0.24 0.82 -2.27 0.00 0.00 179.45 178.35 2b5y h ILE 81 N 0.10 0.50 -0.43 2.00 2.04 -1.18 0.13 117.51 120.67 2b5y h ILE 81 Ca 0.01 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2b5y h ILE 81 Cb 0.84 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2b5y h ILE 81 CO 0.06 0.01 0.11 0.50 0.00 0.00 0.00 178.15 178.84 2b5y h LYS 82 N -0.70 0.25 0.09 2.37 1.63 -1.31 -1.83 116.57 117.08 2b5y h LYS 82 Ca -0.07 -0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.46 2b5y h LYS 82 Cb 0.53 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2b5y h LYS 82 CO 0.11 0.16 -1.17 0.93 -3.45 0.00 0.00 179.45 176.04 2b5y h GLU 83 N 0.26 0.23 -0.60 1.90 4.39 -0.49 -1.84 114.58 118.42 2b5y h GLU 83 Ca 0.21 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 2b5y h GLU 83 Cb 0.24 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2b5y h GLU 83 CO -0.25 1.16 0.19 1.15 -1.16 0.00 0.00 179.01 180.10 2b5y h THR 84 N 0.07 1.23 -0.67 1.13 2.02 -0.72 0.13 112.91 116.10 2b5y h THR 84 Ca -0.11 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2b5y h THR 84 Cb 1.89 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2b5y h THR 84 CO 0.19 0.30 0.43 0.00 0.37 0.00 0.00 175.52 176.81 2b5y h ALA 85 N 1.33 1.50 -0.20 6.16 0.00 -1.09 -0.65 119.26 126.31 2b5y h ALA 85 Ca 0.20 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2b5y h ALA 85 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2b5y h ALA 85 CO -0.01 0.45 -0.54 0.00 0.00 0.00 0.00 179.25 179.15 2b5y h ALA 86 N 1.57 0.34 0.00 0.00 0.00 -0.45 0.63 119.26 121.34 2b5y h ALA 86 Ca 0.24 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2b5y h ALA 86 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2b5y h ALA 86 CO -0.05 0.55 -0.39 0.93 0.00 0.00 0.00 179.25 180.29 2b5y h GLU 87 N 0.44 0.00 -0.42 0.00 5.08 -0.19 -2.84 114.58 116.65 2b5y h GLU 87 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b5y h GLU 87 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2b5y h GLU 87 CO 0.12 0.39 0.00 0.72 -1.00 0.00 0.00 179.01 179.24 2b5y n HIS 88 N -3.73 0.55 -3.47 4.33 8.25 -0.30 -5.00 115.22 115.85 2b5y n HIS 88 Ca -0.01 -0.42 -0.18 0.00 -0.26 0.00 0.00 57.72 56.85 2b5y n HIS 88 Cb 0.47 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.65 2b5y n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5y n ASP 89 N 0.93 -2.13 -4.29 0.41 2.03 -0.84 -4.60 116.55 108.06 2b5y n ASP 89 Ca 0.15 -0.66 -0.43 0.00 0.52 0.00 0.00 54.79 54.37 2b5y n ASP 89 Cb 0.48 -4.94 -0.07 0.00 -0.72 0.00 0.00 41.12 35.87 2b5y n ASP 89 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2b5y s ILE 90 N -3.41 4.76 0.00 5.18 1.01 0.15 -4.59 121.20 124.30 2b5y s ILE 90 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2b5y s ILE 90 Cb -0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2b5y s ILE 90 CO 0.75 -0.74 0.13 0.35 0.00 0.00 0.00 174.94 175.42 2b5y n THR 91 N 5.09 0.00 -1.14 2.92 -2.24 -1.26 -4.70 114.28 112.94 2b5y n THR 91 Ca -0.11 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 2b5y n THR 91 Cb 0.41 1.01 0.12 0.00 -2.10 0.00 0.00 70.33 69.77 2b5y n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5y s GLN 92 N -0.72 1.68 0.28 -0.78 0.00 -1.26 -4.91 119.66 113.94 2b5y s GLN 92 Ca 0.00 1.74 -0.29 0.00 -0.00 0.00 0.00 55.36 56.81 2b5y s GLN 92 Cb 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 33.01 31.09 2b5y s GLN 92 CO 0.00 -2.18 1.20 -2.30 0.00 0.00 0.00 175.29 172.01 2b5y n PRO 93 N -3.28 1.72 -3.85 9.60 -0.02 -1.26 -4.71 135.00 133.20 2b5y n PRO 93 Ca 0.13 0.60 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 2b5y n PRO 93 Cb 0.51 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.70 2b5y n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b5y s ILE 94 N -0.74 0.88 0.20 4.25 1.01 0.45 -1.10 121.20 126.15 2b5y s ILE 94 Ca 0.61 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2b5y s ILE 94 Cb -0.67 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 2b5y s ILE 94 CO 0.57 0.14 1.13 -0.36 0.00 0.00 0.00 174.94 176.43 2b5y s PHE 95 N 1.74 3.53 -0.14 3.97 0.08 0.14 -0.70 117.98 126.60 2b5y s PHE 95 Ca 0.02 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.65 2b5y s PHE 95 Cb -0.15 -3.33 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 2b5y s PHE 95 CO -0.07 -0.80 -0.21 0.08 -0.10 0.00 0.00 175.22 174.12 2b5y s VAL 96 N -0.37 2.18 0.08 -0.44 1.01 -0.26 -0.89 120.40 121.71 2b5y s VAL 96 Ca 0.49 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2b5y s VAL 96 Cb -0.31 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2b5y s VAL 96 CO 0.37 0.54 0.17 -0.62 0.00 0.00 0.00 175.10 175.56 2b5y s ASP 97 N 0.75 6.07 0.22 3.32 -1.08 -0.03 -1.47 116.67 124.45 2b5y s ASP 97 Ca -0.08 0.16 0.07 0.00 -0.52 0.00 0.00 52.55 52.18 2b5y s ASP 97 Cb -0.16 -1.79 0.19 0.00 -1.46 0.00 0.00 42.92 39.70 2b5y s ASP 97 CO -0.00 0.16 1.51 0.28 0.52 0.00 0.00 175.17 177.64 2b5y h SER 98 N 3.05 0.14 0.00 -0.34 0.02 -1.87 -3.39 113.55 111.16 2b5y h SER 98 Ca -0.46 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2b5y h SER 98 Cb 1.16 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2b5y h SER 98 CO 0.72 0.80 0.00 -0.67 -1.14 0.00 0.00 176.83 176.54 2b5y n ASP 99 N -3.75 0.00 0.00 3.07 2.03 -1.26 -4.59 116.55 112.06 2b5y n ASP 99 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2b5y n ASP 99 Cb 0.69 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2b5y n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n HIS 100 N -1.78 0.00 0.14 -0.67 1.44 -1.26 -4.39 115.22 108.70 2b5y n HIS 100 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 2b5y n HIS 100 Cb 0.00 0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.10 2b5y n HIS 100 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b5y h ALA 101 N 0.00 -1.02 -0.14 1.59 0.00 -1.96 0.12 119.26 117.84 2b5y h ALA 101 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2b5y h ALA 101 Cb 0.64 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2b5y h ALA 101 CO 0.00 -1.14 -0.21 1.25 0.00 0.00 0.00 179.25 179.16 2b5y h LEU 102 N -0.79 0.24 -1.47 0.00 6.46 -1.88 -2.24 115.31 115.62 2b5y h LEU 102 Ca -0.02 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2b5y h LEU 102 Cb 0.77 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 2b5y h LEU 102 CO -0.25 0.46 0.37 0.74 -0.62 0.00 0.00 178.44 179.14 2b5y h THR 103 N 0.23 1.12 0.00 1.05 2.02 -1.53 -0.85 112.91 114.95 2b5y h THR 103 Ca 0.04 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2b5y h THR 103 Cb 0.50 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2b5y h THR 103 CO 0.03 0.13 -0.57 -0.78 0.37 0.00 0.00 175.52 174.71 2b5y h ASP 104 N 0.72 0.00 1.32 4.18 3.58 -0.31 -0.89 116.42 125.02 2b5y h ASP 104 Ca 0.21 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 2b5y h ASP 104 Cb -0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2b5y h ASP 104 CO -0.05 0.18 -0.47 0.00 -2.88 0.00 0.00 179.24 176.02 2b5y h ALA 105 N 1.82 0.75 0.00 -0.78 0.00 -0.60 -3.29 119.26 117.16 2b5y h ALA 105 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2b5y h ALA 105 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2b5y h ALA 105 CO 0.02 0.59 -0.23 1.97 0.00 0.00 0.00 179.25 181.60 2b5y n PHE 106 N -3.30 0.00 -4.23 0.00 -1.74 -0.97 -4.88 117.46 102.35 2b5y n PHE 106 Ca 0.01 -0.34 -0.32 0.00 -0.56 0.00 0.00 57.45 56.24 2b5y n PHE 106 Cb 0.68 -0.07 -0.07 0.00 1.52 0.00 0.00 39.48 41.53 2b5y n PHE 106 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2b5y n GLU 107 N -0.47 -1.15 0.13 3.97 1.02 -0.42 -4.13 120.64 119.60 2b5y n GLU 107 Ca 0.05 0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 2b5y n GLU 107 Cb 0.61 -3.57 -0.07 0.00 -0.02 0.00 0.00 31.44 28.40 2b5y n GLU 107 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2b5y h ASN 108 N -1.91 -0.33 0.00 1.62 -1.24 -1.66 -3.47 115.58 108.58 2b5y h ASN 108 Ca -0.66 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.37 2b5y h ASN 108 Cb 1.40 0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.56 2b5y h ASN 108 CO 0.67 -0.20 0.00 -0.62 -1.29 0.00 0.00 177.43 175.99 2b5y n GLU 109 N -5.25 -0.33 -4.10 6.67 1.02 -1.26 -4.94 120.64 112.46 2b5y n GLU 109 Ca -0.08 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2b5y n GLU 109 Cb 0.17 -4.52 -0.04 0.00 -0.02 0.00 0.00 31.44 27.03 2b5y n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2b5y n TYR 110 N -2.01 0.45 0.08 -0.32 4.01 -1.26 -5.13 117.16 112.98 2b5y n TYR 110 Ca 0.00 -2.17 0.00 0.00 -0.16 0.00 0.00 57.90 55.57 2b5y n TYR 110 Cb 0.08 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 2b5y n TYR 110 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2b5y n VAL 111 N -1.31 0.78 -1.93 -0.72 0.31 -1.26 -4.85 118.33 109.34 2b5y n VAL 111 Ca -0.13 0.26 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 2b5y n VAL 111 Cb 0.57 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 2b5y n VAL 111 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2b5y s PRO 112 N -1.97 2.13 0.02 5.55 0.04 -1.25 -3.51 135.00 136.01 2b5y s PRO 112 Ca 0.00 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.18 2b5y s PRO 112 Cb 0.00 -5.15 -0.02 0.00 0.04 0.00 0.00 34.50 29.37 2b5y s PRO 112 CO 0.00 -4.35 -0.03 0.00 0.04 0.00 0.00 177.00 172.66 2b5y s ALA 113 N 12.62 0.15 -0.05 8.56 0.00 -1.10 -0.96 121.76 140.98 2b5y s ALA 113 Ca 0.73 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2b5y s ALA 113 Cb -0.03 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2b5y s ALA 113 CO 0.13 -0.13 0.12 0.71 0.00 0.00 0.00 175.76 176.59 2b5y s TYR 114 N -1.28 -0.13 -0.06 0.00 2.02 -0.00 -0.43 117.35 117.46 2b5y s TYR 114 Ca -0.14 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 2b5y s TYR 114 Cb -0.09 -0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.50 2b5y s TYR 114 CO -0.01 -0.09 0.00 0.71 -1.57 0.00 0.00 175.55 174.59 2b5y s TYR 115 N 0.40 0.61 -0.14 2.71 1.51 -0.17 -1.57 117.35 120.70 2b5y s TYR 115 Ca -0.03 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2b5y s TYR 115 Cb -0.04 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2b5y s TYR 115 CO -0.02 -0.29 -0.15 0.08 -1.11 0.00 0.00 175.55 174.06 2b5y s VAL 116 N 1.81 2.76 0.06 0.71 1.01 -0.03 -1.25 120.40 125.48 2b5y s VAL 116 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2b5y s VAL 116 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2b5y s VAL 116 CO -0.04 0.52 -0.18 -0.36 0.00 0.00 0.00 175.10 175.04 2b5y s PHE 117 N 0.55 1.57 1.10 5.22 0.40 0.16 -0.33 117.98 126.65 2b5y s PHE 117 Ca -0.10 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 2b5y s PHE 117 Cb -0.16 -0.91 0.25 0.00 0.51 0.00 0.00 43.02 42.71 2b5y s PHE 117 CO 0.04 0.10 1.05 0.34 0.70 0.00 0.00 175.22 177.46 2b5y s ASP 118 N -1.44 1.61 0.18 1.36 -1.08 0.30 -1.19 116.67 116.40 2b5y s ASP 118 Ca 0.04 1.47 0.15 0.00 -0.52 0.00 0.00 52.55 53.69 2b5y s ASP 118 Cb -0.09 -2.20 0.73 0.00 -1.46 0.00 0.00 42.92 39.90 2b5y s ASP 118 CO 0.02 -3.81 1.45 2.29 0.52 0.00 0.00 175.17 175.65 2b5y n LYS 119 N -4.65 0.09 -0.14 4.34 2.85 -1.26 -1.05 118.16 118.34 2b5y n LYS 119 Ca 0.04 0.52 0.10 0.00 -1.05 0.00 0.00 58.31 57.93 2b5y n LYS 119 Cb 0.55 -1.76 0.17 0.00 -0.65 0.00 0.00 35.03 33.35 2b5y n LYS 119 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2b5y n THR 120 N -1.94 0.44 -2.49 0.58 5.66 -1.26 -1.97 114.28 113.29 2b5y n THR 120 Ca 0.00 -0.72 -0.00 0.00 -3.05 0.00 0.00 64.05 60.28 2b5y n THR 120 Cb 0.07 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 2b5y n THR 120 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b5y n GLY 121 N 1.28 0.94 3.13 1.09 0.00 -0.22 -4.96 105.19 106.45 2b5y n GLY 121 Ca 0.16 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2b5y n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b5y s GLN 122 N -4.98 1.20 0.31 1.61 -1.52 -1.26 -3.61 119.66 111.42 2b5y s GLN 122 Ca 0.00 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 2b5y s GLN 122 Cb -0.00 -1.18 -0.11 0.00 -0.22 0.00 0.00 33.01 31.51 2b5y s GLN 122 CO 0.00 0.32 1.46 -1.17 -0.25 0.00 0.00 175.29 175.65 2b5y s LEU 123 N -0.46 4.37 -0.03 2.90 2.96 0.62 -0.54 118.68 128.50 2b5y s LEU 123 Ca 0.05 2.84 0.01 0.00 -0.22 0.00 0.00 54.13 56.81 2b5y s LEU 123 Cb -0.06 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2b5y s LEU 123 CO -0.00 -0.76 -0.02 0.54 -1.32 0.00 0.00 176.35 174.79 2b5y n ARG 124 N 1.49 0.94 -3.58 1.98 5.12 0.55 -2.32 116.66 120.84 2b5y n ARG 124 Ca 0.04 0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 2b5y n ARG 124 Cb 0.40 -1.06 -0.05 0.00 -1.16 0.00 0.00 32.46 30.59 2b5y n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2b5y s HIS 125 N -2.06 -0.36 -0.09 -1.55 2.46 -0.95 -4.90 115.29 107.83 2b5y s HIS 125 Ca -0.04 0.26 -0.10 0.00 0.47 0.00 0.00 55.06 55.65 2b5y s HIS 125 Cb 0.01 0.34 0.02 0.00 -0.13 0.00 0.00 32.58 32.82 2b5y s HIS 125 CO 0.08 -0.68 0.27 0.12 -2.47 0.00 0.00 174.74 172.06 2b5y s PHE 126 N -3.03 -0.26 0.22 3.88 5.36 -1.26 -0.85 117.98 122.03 2b5y s PHE 126 Ca -0.02 0.62 -0.08 0.00 -0.96 0.00 0.00 56.93 56.49 2b5y s PHE 126 Cb -0.00 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2b5y s PHE 126 CO -0.06 -0.18 0.32 -0.65 -1.46 0.00 0.00 175.22 173.19 2b5y s GLN 127 N -0.13 1.36 0.03 10.12 -1.52 -0.61 -5.02 119.66 123.88 2b5y s GLN 127 Ca -0.03 -1.36 -0.23 0.00 -1.95 0.00 0.00 55.36 51.79 2b5y s GLN 127 Cb -0.03 0.39 0.05 0.00 -0.22 0.00 0.00 33.01 33.20 2b5y s GLN 127 CO 0.01 -0.52 0.53 0.00 -0.25 0.00 0.00 175.29 175.07 2b5y s ALA 128 N -4.06 -1.37 -1.26 6.09 0.00 -1.26 -0.82 121.76 119.07 2b5y s ALA 128 Ca 0.27 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2b5y s ALA 128 Cb 0.03 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2b5y s ALA 128 CO 0.08 -0.47 0.05 0.41 0.00 0.00 0.00 175.76 175.83 2b5y n GLY 129 N 0.56 -0.50 3.73 0.00 0.00 -0.14 -4.97 105.19 103.87 2b5y n GLY 129 Ca -0.19 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2b5y n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b5y s GLY 130 N -2.09 1.61 -0.48 -0.02 0.00 -1.26 -4.89 107.32 100.19 2b5y s GLY 130 Ca 0.03 -0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.29 2b5y s GLY 130 CO 0.04 0.33 2.38 1.44 0.00 0.00 0.00 173.10 177.29 2b5y n SER 131 N -3.84 2.25 -2.26 1.64 7.64 -1.26 -0.93 113.62 116.85 2b5y n SER 131 Ca 0.07 -0.17 -0.07 0.00 1.01 0.00 0.00 58.87 59.70 2b5y n SER 131 Cb 0.56 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 2b5y n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b5y n GLY 132 N 6.09 -0.30 1.63 0.23 0.00 -1.26 -1.45 105.19 110.13 2b5y n GLY 132 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2b5y n GLY 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2b5y n MET 133 N -2.49 -1.84 -0.28 1.61 3.85 -0.10 -4.76 117.12 113.11 2b5y n MET 133 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 57.70 56.61 2b5y n MET 133 Cb 0.51 -4.18 0.12 0.00 -1.05 0.00 0.00 33.22 28.62 2b5y n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5y h LYS 134 N 0.00 0.85 0.00 3.17 1.63 -1.52 -0.89 116.57 119.81 2b5y h LYS 134 Ca 0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2b5y h LYS 134 Cb 0.42 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2b5y h LYS 134 CO 0.00 0.56 -0.01 0.00 -3.45 0.00 0.00 179.45 176.56 2b5y h MET 135 N 0.88 0.00 -0.80 1.90 -0.00 -1.88 -2.80 114.93 112.23 2b5y h MET 135 Ca 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.99 2b5y h MET 135 Cb 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.72 2b5y h MET 135 CO -0.17 0.01 0.32 1.25 -0.00 0.00 0.00 176.91 178.32 2b5y h LEU 136 N 0.00 1.10 -0.96 -0.10 7.12 -1.55 -1.03 115.31 119.89 2b5y h LEU 136 Ca -0.00 -0.17 0.14 0.00 0.13 0.00 0.00 57.88 57.98 2b5y h LEU 136 Cb 0.05 -0.29 -0.09 0.00 -0.53 0.00 0.00 40.66 39.81 2b5y h LEU 136 CO 0.00 0.97 0.58 -0.08 -0.13 0.00 0.00 178.44 179.78 2b5y h GLU 137 N 1.16 0.83 -0.25 1.25 4.81 -1.64 -0.81 114.58 119.93 2b5y h GLU 137 Ca 0.27 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.25 2b5y h GLU 137 Cb 0.21 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2b5y h GLU 137 CO -0.02 0.55 -0.61 0.87 -0.73 0.00 0.00 179.01 179.07 2b5y h LYS 138 N 0.86 0.85 -0.54 1.92 1.57 -1.38 -0.43 116.57 119.42 2b5y h LYS 138 Ca 0.50 -0.58 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2b5y h LYS 138 Cb 0.61 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2b5y h LYS 138 CO -0.31 1.21 0.22 0.00 -0.57 0.00 0.00 179.45 180.00 2b5y h ARG 139 N 0.64 0.81 -0.39 3.15 2.47 -0.03 0.18 114.38 121.21 2b5y h ARG 139 Ca -0.00 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2b5y h ARG 139 Cb 1.23 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 2b5y h ARG 139 CO 0.13 0.70 0.20 0.28 0.56 0.00 0.00 179.97 181.85 2b5y h VAL 140 N 0.73 1.16 -0.11 2.04 2.07 -1.21 -1.74 116.25 119.19 2b5y h VAL 140 Ca 0.18 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2b5y h VAL 140 Cb 0.20 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2b5y h VAL 140 CO -0.02 0.16 -0.21 0.78 0.02 0.00 0.00 177.57 178.30 2b5y h ASN 141 N 0.49 0.18 -0.30 0.57 2.35 -0.35 -0.14 115.58 118.38 2b5y h ASN 141 Ca 0.14 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2b5y h ASN 141 Cb 0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2b5y h ASN 141 CO -0.02 0.41 -0.25 0.03 -1.65 0.00 0.00 177.43 175.94 2b5y h ARG 142 N 0.17 0.70 -0.59 0.81 -0.00 -0.30 0.83 114.38 116.01 2b5y h ARG 142 Ca 0.03 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.98 59.15 2b5y h ARG 142 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.43 2b5y h ARG 142 CO 0.03 0.97 0.32 0.28 0.00 0.00 0.00 179.97 181.57 2b5y h VAL 143 N 0.46 1.18 -0.37 2.04 2.07 -0.75 0.32 116.25 121.20 2b5y h VAL 143 Ca 0.05 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 2b5y h VAL 143 Cb 0.81 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2b5y h VAL 143 CO 0.07 0.20 -0.37 -0.07 0.02 0.00 0.00 177.57 177.41 2b5y h LEU 144 N 0.82 0.92 -1.08 2.57 3.38 -0.65 -0.54 115.31 120.73 2b5y h LEU 144 Ca 0.21 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2b5y h LEU 144 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2b5y h LEU 144 CO -0.03 1.19 0.17 0.00 0.09 0.00 0.00 178.44 179.86 2b5y h ALA 145 N 0.85 1.26 0.00 1.53 0.00 -0.32 -2.82 119.26 119.77 2b5y h ALA 145 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2b5y h ALA 145 Cb 0.95 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2b5y h ALA 145 CO 0.09 0.52 -0.22 0.93 0.00 0.00 0.00 179.25 180.57 2b5y h GLU 146 N 0.81 0.00 -7.01 0.00 5.08 -0.69 -3.46 114.58 109.31 2b5y h GLU 146 Ca 0.18 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.99 2b5y h GLU 146 Cb 0.24 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.62 2b5y h GLU 146 CO -0.01 0.22 0.60 2.41 -1.00 0.00 0.00 179.01 181.23 2b5y n THR 147 N -3.16 3.56 0.00 1.13 -1.04 -0.23 -5.08 114.28 109.47 2b5y n THR 147 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2b5y n THR 147 Cb 0.62 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2b5y n THR 147 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81