#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 3.54 -1.02 0.03 1.02 -1.26 -4.90 119.74 117.15 2b5y s LYS 2 Ca 0.00 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 57.77 2b5y s LYS 2 Cb 0.00 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 2b5y s LYS 2 CO 0.00 -0.75 2.65 1.28 -0.92 0.00 0.00 175.35 177.61 2b5y n LEU 3 N -0.75 6.37 0.00 3.17 4.77 -1.26 -1.83 117.00 127.47 2b5y n LEU 3 Ca 0.09 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.62 2b5y n LEU 3 Cb 0.48 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2b5y n LEU 3 CO 0.48 1.36 0.00 -1.14 -1.33 0.00 0.00 177.39 176.76 2b5y n ARG 4 N 3.61 0.00 -1.57 3.23 3.00 -0.91 -4.74 116.66 119.27 2b5y n ARG 4 Ca 0.57 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 58.07 2b5y n ARG 4 Cb 0.30 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.83 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 -0.84 2.38 1.02 -0.14 -0.21 -0.76 -4.34 119.66 116.76 2b5y s GLN 5 Ca 0.00 1.71 -0.13 0.00 0.02 0.00 0.00 55.36 56.96 2b5y s GLN 5 Cb 0.00 -1.87 0.20 0.00 1.00 0.00 0.00 33.01 32.34 2b5y s GLN 5 CO 0.00 -1.64 1.10 -1.25 -2.12 0.00 0.00 175.29 171.38 2b5y s PRO 6 N -3.86 0.28 0.56 2.91 0.04 -1.26 -0.45 135.00 133.23 2b5y s PRO 6 Ca 0.74 0.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 2b5y s PRO 6 Cb -0.28 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2b5y s PRO 6 CO 0.43 -2.81 1.09 -1.33 0.04 0.00 0.00 177.00 174.41 2b5y n MET 7 N -4.22 1.19 -0.59 4.56 2.81 -1.16 -4.78 117.12 114.93 2b5y n MET 7 Ca 0.06 0.45 -0.12 0.00 -1.81 0.00 0.00 57.70 56.27 2b5y n MET 7 Cb 0.58 -2.27 0.09 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.85 -1.22 -1.86 0.03 -0.04 -1.26 -4.96 135.00 124.84 2b5y n PRO 8 Ca 0.12 -0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 62.40 2b5y n PRO 8 Cb 0.45 -0.61 -0.03 0.00 -0.04 0.00 0.00 33.50 33.28 2b5y n PRO 8 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b5y s GLU 9 N -4.08 4.18 -1.29 0.54 2.02 -1.26 -4.89 118.70 113.92 2b5y s GLU 9 Ca 0.29 2.42 -0.06 0.00 0.02 0.00 0.00 54.97 57.64 2b5y s GLU 9 Cb -0.02 -3.51 0.15 0.00 0.10 0.00 0.00 34.13 30.85 2b5y s GLU 9 CO 0.22 -0.75 2.18 1.28 0.02 0.00 0.00 175.26 178.21 2b5y n LEU 10 N 5.33 7.56 -4.77 1.80 4.77 -1.26 -4.73 117.00 125.70 2b5y n LEU 10 Ca 0.16 -4.86 -0.36 0.00 -0.03 0.00 0.00 56.01 50.92 2b5y n LEU 10 Cb 0.39 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2b5y n LEU 10 CO 0.63 1.85 0.81 0.42 -1.33 0.00 0.00 177.39 179.78 2b5y s THR 11 N -0.93 3.05 0.00 -5.08 -4.23 -1.26 -5.01 115.64 102.18 2b5y s THR 11 Ca 0.48 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2b5y s THR 11 Cb 0.15 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2b5y s THR 11 CO -0.06 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2b5y n GLY 12 N 0.31 0.06 0.24 3.99 0.00 -1.26 -4.04 105.19 104.49 2b5y n GLY 12 Ca 0.10 0.64 0.17 0.00 0.00 0.00 0.00 46.02 46.93 2b5y n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b5y h GLU 13 N 0.00 0.00 0.00 1.61 5.08 -1.88 -2.21 114.58 117.18 2b5y h GLU 13 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2b5y h GLU 13 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2b5y h GLU 13 CO 0.00 0.00 -0.19 1.17 -1.00 0.00 0.00 179.01 178.99 2b5y n LYS 14 N -2.76 1.20 -0.36 2.33 4.81 -1.26 -4.95 118.16 117.17 2b5y n LYS 14 Ca -0.00 -2.59 0.27 0.00 -0.87 0.00 0.00 58.31 55.11 2b5y n LYS 14 Cb 0.19 -1.40 0.55 0.00 0.02 0.00 0.00 35.03 34.39 2b5y n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b5y h ALA 15 N 0.26 2.37 -2.53 3.14 0.00 -1.48 -3.41 119.26 117.61 2b5y h ALA 15 Ca -0.01 0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 2b5y h ALA 15 Cb 1.06 0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.99 2b5y h ALA 15 CO 0.00 -0.86 1.04 0.91 0.00 0.00 0.00 179.25 180.34 2b5y n TRP 16 N -4.67 2.64 -3.64 0.00 7.02 -1.26 -1.20 117.44 116.33 2b5y n TRP 16 Ca 0.29 -0.03 -0.07 0.00 -1.02 0.00 0.00 57.50 56.68 2b5y n TRP 16 Cb 1.05 -2.69 -0.07 0.00 -2.42 0.00 0.00 31.31 27.18 2b5y n TRP 16 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2b5y s LEU 17 N 1.92 -0.53 0.00 -0.99 2.96 -1.23 -4.82 118.68 115.99 2b5y s LEU 17 Ca 0.79 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2b5y s LEU 17 Cb -0.52 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.08 2b5y s LEU 17 CO 0.35 -0.16 0.00 0.59 -1.32 0.00 0.00 176.35 175.82 2b5y n ASN 18 N 2.97 0.00 0.00 3.68 3.02 -1.26 -1.20 115.26 122.47 2b5y n ASN 18 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2b5y n ASN 18 Cb 0.57 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.38 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 -1.92 0.79 3.67 7.41 0.00 -1.26 -4.54 105.19 109.34 2b5y n GLY 19 Ca 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.84 1.55 0.34 1.61 2.12 -1.26 -4.42 118.70 116.80 2b5y s GLU 20 Ca 0.00 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.61 2b5y s GLU 20 Cb 0.00 0.59 -0.02 0.00 0.26 0.00 0.00 34.13 34.97 2b5y s GLU 20 CO 0.00 -0.70 0.37 0.14 -0.54 0.00 0.00 175.26 174.53 2b5y s VAL 21 N -3.81 0.00 0.39 3.70 -7.23 -1.26 -5.01 120.40 107.17 2b5y s VAL 21 Ca 0.07 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2b5y s VAL 21 Cb -0.04 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2b5y s VAL 21 CO -0.02 0.00 0.21 0.35 -0.31 0.00 0.00 175.10 175.34 2b5y n THR 22 N -0.61 0.00 0.29 5.32 -2.24 -1.26 -4.98 114.28 110.80 2b5y n THR 22 Ca 0.05 -2.49 0.17 0.00 -2.27 0.00 0.00 64.05 59.51 2b5y n THR 22 Cb 0.62 1.05 0.93 0.00 -2.10 0.00 0.00 70.33 70.82 2b5y n THR 22 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2b5y h ARG 23 N 0.00 0.00 0.00 -0.78 3.08 -1.99 -3.25 114.38 111.45 2b5y h ARG 23 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2b5y h ARG 23 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2b5y h ARG 23 CO 0.45 0.00 -0.23 -0.85 -1.07 0.00 0.00 179.97 178.27 2b5y n GLU 24 N -2.79 3.28 -0.16 0.04 0.28 -1.26 -4.32 120.64 115.71 2b5y n GLU 24 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.91 2b5y n GLU 24 Cb 0.17 -0.48 0.10 0.00 1.43 0.00 0.00 31.44 32.66 2b5y n GLU 24 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2b5y h GLN 25 N 0.00 0.94 0.00 3.44 4.15 -1.94 -3.28 115.11 118.42 2b5y h GLN 25 Ca 0.00 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.09 2b5y h GLN 25 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2b5y h GLN 25 CO 0.00 0.91 -2.04 1.47 -1.93 0.00 0.00 178.83 177.24 2b5y n LEU 26 N -4.20 0.00 -4.81 -2.39 -0.00 -1.25 -4.96 117.00 99.38 2b5y n LEU 26 Ca 0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.72 2b5y n LEU 26 Cb 0.31 0.08 0.04 0.00 -0.00 0.00 0.00 43.42 43.86 2b5y n LEU 26 CO 0.43 0.08 0.71 -0.63 -0.00 0.00 0.00 177.39 177.98 2b5y s ILE 27 N -3.31 3.91 0.00 1.47 -1.09 -1.24 -4.75 121.20 116.20 2b5y s ILE 27 Ca -0.08 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2b5y s ILE 27 Cb 0.12 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2b5y s ILE 27 CO 0.87 -0.72 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 2b5y n GLY 28 N -1.59 2.00 0.00 6.18 0.00 -1.24 -4.94 105.19 105.61 2b5y n GLY 28 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.29 -4.86 1.61 2.13 -1.26 -4.86 120.64 116.69 2b5y n GLU 29 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2b5y n GLU 29 Cb 0.00 -0.27 -0.15 0.00 0.27 0.00 0.00 31.44 31.29 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 0.00 1.76 1.05 5.31 -0.14 -1.26 -4.79 119.74 121.67 2b5y s LYS 30 Ca 0.00 -1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 53.35 2b5y s LYS 30 Cb 0.00 -1.97 0.22 0.00 -1.68 0.00 0.00 37.83 34.40 2b5y s LYS 30 CO 0.00 0.51 1.07 -1.25 -0.76 0.00 0.00 175.35 174.91 2b5y s PRO 31 N -1.32 0.00 -0.08 -1.68 0.04 -1.26 -4.06 135.00 126.63 2b5y s PRO 31 Ca 0.12 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 2b5y s PRO 31 Cb -0.10 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.81 2b5y s PRO 31 CO 0.02 -3.11 -0.03 0.99 0.04 0.00 0.00 177.00 174.91 2b5y s THR 32 N -2.68 0.62 -0.40 1.26 2.01 0.15 -0.58 115.64 116.03 2b5y s THR 32 Ca 0.67 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 2b5y s THR 32 Cb -0.22 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.59 2b5y s THR 32 CO 0.61 0.29 0.61 -0.22 -0.69 0.00 0.00 174.62 175.22 2b5y s LEU 33 N 1.72 4.41 -0.30 4.42 2.96 -0.02 -0.82 118.68 131.06 2b5y s LEU 33 Ca 0.02 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.63 2b5y s LEU 33 Cb -0.13 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 2b5y s LEU 33 CO -0.05 -0.67 0.39 -0.63 -1.32 0.00 0.00 176.35 174.07 2b5y s ILE 34 N 2.69 5.15 -0.17 6.68 1.01 -0.17 -1.54 121.20 134.85 2b5y s ILE 34 Ca 0.22 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 2b5y s ILE 34 Cb -0.15 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 2b5y s ILE 34 CO 0.17 0.05 -0.13 -1.38 0.00 0.00 0.00 174.94 173.64 2b5y s HIS 35 N 2.10 2.83 0.05 3.97 -3.43 -0.61 -1.21 115.29 119.00 2b5y s HIS 35 Ca 0.15 -1.10 -0.26 0.00 -0.80 0.00 0.00 55.06 53.04 2b5y s HIS 35 Cb -0.16 -1.95 -0.05 0.00 -1.43 0.00 0.00 32.58 28.99 2b5y s HIS 35 CO 0.11 -0.54 0.82 -0.06 -2.00 0.00 0.00 174.74 173.07 2b5y s PHE 36 N 1.05 3.75 0.32 0.38 0.40 0.37 -0.46 117.98 123.77 2b5y s PHE 36 Ca -0.01 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 57.78 2b5y s PHE 36 Cb -0.15 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.51 2b5y s PHE 36 CO -0.03 0.24 0.56 1.67 0.70 0.00 0.00 175.22 178.36 2b5y s TRP 37 N 0.03 0.56 0.15 0.36 1.48 -0.70 -2.61 118.94 118.21 2b5y s TRP 37 Ca 0.41 -0.94 -0.20 0.00 -1.06 0.00 0.00 56.10 54.31 2b5y s TRP 37 Cb -0.21 0.25 0.05 0.00 -1.16 0.00 0.00 33.47 32.40 2b5y s TRP 37 CO 0.25 -1.19 0.52 -1.54 -4.06 0.00 0.00 176.95 170.93 2b5y s SER 38 N -3.11 -0.41 0.00 -2.66 1.04 -1.26 -1.53 113.70 105.77 2b5y s SER 38 Ca 0.24 -0.18 0.27 0.00 0.48 0.00 0.00 55.95 56.76 2b5y s SER 38 Cb -0.02 0.55 1.62 0.00 0.10 0.00 0.00 66.02 68.28 2b5y s SER 38 CO 0.14 -0.94 1.97 2.30 0.98 0.00 0.00 173.24 177.69 2b5y n ILE 39 N -0.32 0.00 -2.71 -1.02 -5.35 -1.26 -3.84 119.36 104.86 2b5y n ILE 39 Ca -0.16 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 2b5y n ILE 39 Cb 0.64 -0.57 0.06 0.00 -1.74 0.00 0.00 39.64 38.03 2b5y n ILE 39 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2b5y n SER 40 N -1.00 0.72 -4.00 7.28 7.64 -1.26 -5.08 113.62 117.93 2b5y n SER 40 Ca 0.20 -2.48 -0.20 0.00 1.01 0.00 0.00 58.87 57.41 2b5y n SER 40 Cb 0.09 -0.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.96 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5y n HIS 42 N 3.20 0.10 0.00 0.00 8.25 -1.26 -3.13 115.22 122.37 2b5y n HIS 42 Ca -0.17 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2b5y n HIS 42 Cb 0.55 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2b5y n HIS 42 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2b5y n LEU 43 N -1.59 0.00 0.25 2.41 0.00 -1.26 -4.72 117.00 112.09 2b5y n LEU 43 Ca 0.04 -0.11 0.12 0.00 0.00 0.00 0.00 56.01 56.05 2b5y n LEU 43 Cb 0.21 0.00 0.73 0.00 0.00 0.00 0.00 43.42 44.36 2b5y n LEU 43 CO 0.16 0.00 1.10 0.00 0.00 0.00 0.00 177.39 178.65 2b5y h LYS 45 N 0.00 0.00 0.05 0.00 -0.00 -1.83 0.14 116.57 114.94 2b5y h LYS 45 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 60.65 60.34 2b5y h LYS 45 Cb 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.31 2b5y h LYS 45 CO -0.00 0.00 -1.96 0.39 -0.00 0.00 0.00 179.45 177.88 2b5y n GLU 46 N -2.86 0.69 -0.05 0.07 -0.58 -0.11 -4.34 120.64 113.47 2b5y n GLU 46 Ca -0.02 0.24 -0.10 0.00 -0.42 0.00 0.00 57.16 56.86 2b5y n GLU 46 Cb 0.15 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.28 2b5y n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b5y h ALA 47 N 0.51 0.28 -0.26 0.62 0.00 -0.93 -2.90 119.26 116.59 2b5y h ALA 47 Ca -0.40 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2b5y h ALA 47 Cb 2.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 2b5y h ALA 47 CO 0.06 -0.22 -0.15 0.52 0.00 0.00 0.00 179.25 179.47 2b5y h MET 48 N 0.28 -0.12 -0.51 0.00 2.86 -1.00 0.43 114.93 116.87 2b5y h MET 48 Ca 0.08 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2b5y h MET 48 Cb 0.01 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2b5y h MET 48 CO -0.02 -0.08 0.10 -1.00 1.06 0.00 0.00 176.91 176.98 2b5y h PRO 49 N -0.12 0.79 0.00 -0.22 0.13 -1.75 -2.49 132.00 128.33 2b5y h PRO 49 Ca 0.14 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2b5y h PRO 49 Cb 0.33 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 2b5y h PRO 49 CO -0.33 0.73 -0.07 1.96 -0.23 0.00 0.00 178.00 180.05 2b5y h GLN 50 N 0.76 0.00 -0.28 0.86 4.20 -0.95 -2.26 115.11 117.44 2b5y h GLN 50 Ca 0.16 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2b5y h GLN 50 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2b5y h GLN 50 CO 0.00 0.07 -0.13 0.28 -0.67 0.00 0.00 178.83 178.38 2b5y h VAL 51 N 0.00 1.30 -0.67 -0.54 2.07 -0.01 0.54 116.25 118.93 2b5y h VAL 51 Ca -0.00 -1.22 0.13 0.00 0.82 0.00 0.00 66.70 66.42 2b5y h VAL 51 Cb 0.97 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 2b5y h VAL 51 CO 0.01 0.39 0.21 -1.13 0.02 0.00 0.00 177.57 177.06 2b5y h ASN 52 N 0.33 0.13 -0.03 0.57 -1.24 -1.17 0.14 115.58 114.30 2b5y h ASN 52 Ca 0.06 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 2b5y h ASN 52 Cb 0.65 0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 2b5y h ASN 52 CO 0.04 0.05 0.01 -0.33 -1.29 0.00 0.00 177.43 175.92 2b5y h GLU 53 N 0.35 0.05 -0.57 6.67 5.08 -1.06 -2.55 114.58 122.56 2b5y h GLU 53 Ca 0.36 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2b5y h GLU 53 Cb 0.54 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2b5y h GLU 53 CO -0.40 0.20 0.28 0.74 -1.00 0.00 0.00 179.01 178.82 2b5y h PHE 54 N -0.11 0.50 -0.23 4.33 0.04 -0.43 0.26 116.94 121.30 2b5y h PHE 54 Ca 0.01 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.87 2b5y h PHE 54 Cb 0.17 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2b5y h PHE 54 CO -0.02 0.22 0.17 -0.09 -0.60 0.00 0.00 178.31 177.99 2b5y h ARG 55 N 0.52 0.00 0.00 1.51 1.12 -0.80 -0.92 114.38 115.81 2b5y h ARG 55 Ca 0.26 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.81 2b5y h ARG 55 Cb 0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.11 2b5y h ARG 55 CO -0.20 0.00 -2.13 -3.47 -3.11 0.00 0.00 179.97 171.06 2b5y n ASP 56 N -4.42 1.97 0.07 -3.80 2.03 -0.81 -3.98 116.55 107.61 2b5y n ASP 56 Ca 0.03 0.08 -0.06 0.00 0.52 0.00 0.00 54.79 55.35 2b5y n ASP 56 Cb 0.32 -0.46 0.09 0.00 -0.72 0.00 0.00 41.12 40.35 2b5y n ASP 56 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2b5y h LYS 57 N -0.37 0.29 0.00 -0.67 1.57 -0.55 -3.34 116.57 113.49 2b5y h LYS 57 Ca -0.48 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2b5y h LYS 57 Cb 1.56 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.91 2b5y h LYS 57 CO -0.19 0.83 0.00 0.66 -0.57 0.00 0.00 179.45 180.18 2b5y n TYR 58 N -3.86 0.00 -1.31 -1.35 4.01 -0.39 -4.98 117.16 109.28 2b5y n TYR 58 Ca -0.03 -0.19 -0.36 0.00 -0.16 0.00 0.00 57.90 57.16 2b5y n TYR 58 Cb 0.64 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.73 2b5y n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5y n GLN 59 N -0.19 0.40 -0.22 -0.72 -0.00 -0.96 -0.42 117.38 115.27 2b5y n GLN 59 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 2b5y n GLN 59 Cb 0.12 -1.97 0.00 0.00 -0.00 0.00 0.00 30.24 28.39 2b5y n GLN 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2b5y n ASP 60 N -0.74 0.00 -0.05 2.61 2.03 -1.26 -4.50 116.55 114.63 2b5y n ASP 60 Ca 0.11 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.37 2b5y n ASP 60 Cb 0.49 -1.78 -0.08 0.00 -0.72 0.00 0.00 41.12 39.04 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 -2.00 2.28 -3.84 -0.67 6.02 -0.71 -5.00 117.38 113.47 2b5y n GLN 61 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 2b5y n GLN 61 Cb 0.00 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 29.85 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 -4.78 1.39 0.05 1.08 2.96 0.44 -4.26 118.68 115.56 2b5y s LEU 62 Ca -0.05 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 2b5y s LEU 62 Cb 0.03 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 2b5y s LEU 62 CO 0.40 -0.08 0.99 0.20 -1.32 0.00 0.00 176.35 176.55 2b5y s ASN 63 N 0.71 7.39 -0.18 3.68 0.01 0.26 -4.23 114.94 122.57 2b5y s ASN 63 Ca -0.06 1.74 -0.03 0.00 -0.71 0.00 0.00 52.86 53.80 2b5y s ASN 63 Cb -0.09 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 2b5y s ASN 63 CO -0.02 -0.21 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.61 2b5y s VAL 64 N 0.65 3.40 -0.06 1.60 1.01 -1.26 -0.84 120.40 124.90 2b5y s VAL 64 Ca 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2b5y s VAL 64 Cb -0.23 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2b5y s VAL 64 CO 0.29 0.47 -0.04 0.54 0.00 0.00 0.00 175.10 176.36 2b5y s VAL 65 N 0.93 0.57 0.47 2.92 0.11 -0.59 -4.24 120.40 120.57 2b5y s VAL 65 Ca -0.01 -0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 2b5y s VAL 65 Cb -0.15 -0.62 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 2b5y s VAL 65 CO 0.01 0.25 0.90 0.00 -3.33 0.00 0.00 175.10 172.93 2b5y s ALA 66 N 1.25 3.17 -0.09 1.54 0.00 -0.23 -1.57 121.76 125.82 2b5y s ALA 66 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 2b5y s ALA 66 Cb -0.14 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.04 2b5y s ALA 66 CO -0.02 -0.12 -0.03 0.08 0.00 0.00 0.00 175.76 175.67 2b5y s VAL 67 N -2.49 0.66 0.02 0.00 1.01 0.39 -0.61 120.40 119.38 2b5y s VAL 67 Ca 0.56 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 2b5y s VAL 67 Cb -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 2b5y s VAL 67 CO 0.30 0.30 0.83 -2.28 0.00 0.00 0.00 175.10 174.24 2b5y s HIS 68 N 1.86 3.70 -0.36 5.22 2.46 -0.62 -1.72 115.29 125.83 2b5y s HIS 68 Ca 0.05 1.53 0.01 0.00 0.47 0.00 0.00 55.06 57.12 2b5y s HIS 68 Cb -0.12 -2.92 0.10 0.00 -0.13 0.00 0.00 32.58 29.50 2b5y s HIS 68 CO -0.07 0.16 0.09 1.41 -2.47 0.00 0.00 174.74 173.87 2b5y s MET 69 N 0.37 1.80 -0.27 2.88 1.75 -0.58 -3.49 119.30 121.76 2b5y s MET 69 Ca 0.43 -1.77 -0.35 0.00 -1.25 0.00 0.00 55.69 52.74 2b5y s MET 69 Cb -0.20 -3.33 -0.11 0.00 2.84 0.00 0.00 34.83 34.02 2b5y s MET 69 CO 0.24 -0.94 2.06 -2.30 -0.65 0.00 0.00 175.02 173.43 2b5y n PRO 70 N 4.42 1.43 0.13 4.11 -0.02 -1.26 -4.71 135.00 139.10 2b5y n PRO 70 Ca -0.01 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 2b5y n PRO 70 Cb 0.42 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.42 2b5y n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b5y h ARG 71 N 11.12 0.00 -3.50 -0.52 3.08 -1.88 -3.46 114.38 119.22 2b5y h ARG 71 Ca -0.36 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2b5y h ARG 71 Cb 1.30 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.25 2b5y h ARG 71 CO 0.99 0.09 -0.06 -1.12 -1.07 0.00 0.00 179.97 178.80 2b5y s SER 72 N -5.78 -0.15 0.25 7.04 0.01 -1.26 -5.01 113.70 108.80 2b5y s SER 72 Ca 0.02 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.53 2b5y s SER 72 Cb 0.08 0.57 0.30 0.00 0.21 0.00 0.00 66.02 67.18 2b5y s SER 72 CO 0.75 -1.08 1.80 -0.08 0.41 0.00 0.00 173.24 175.04 2b5y h GLU 73 N 2.26 0.97 -0.63 12.44 4.81 -2.00 -2.24 114.58 130.19 2b5y h GLU 73 Ca -0.27 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2b5y h GLU 73 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2b5y h GLU 73 CO 0.37 0.84 0.00 -3.47 -0.73 0.00 0.00 179.01 176.02 2b5y n ASP 74 N -4.27 0.63 0.00 1.04 2.03 -1.26 -2.63 116.55 112.09 2b5y n ASP 74 Ca 0.05 -1.51 0.00 0.00 0.52 0.00 0.00 54.79 53.85 2b5y n ASP 74 Cb 0.22 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2b5y n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b5y n ASP 75 N 0.01 0.17 -1.04 1.67 2.03 -0.85 -4.73 116.55 113.81 2b5y n ASP 75 Ca 0.00 -0.28 0.09 0.00 0.52 0.00 0.00 54.79 55.13 2b5y n ASP 75 Cb 0.16 0.59 0.24 0.00 -0.72 0.00 0.00 41.12 41.39 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 -0.61 3.48 -4.58 -2.67 -0.00 -1.08 -4.79 117.00 106.75 2b5y n LEU 76 Ca 0.00 -1.94 -0.47 0.00 -0.00 0.00 0.00 56.01 53.60 2b5y n LEU 76 Cb 0.00 -0.36 -0.05 0.00 -0.00 0.00 0.00 43.42 43.01 2b5y n LEU 76 CO 0.00 0.86 1.71 -0.67 -0.00 0.00 0.00 177.39 179.29 2b5y n ASP 77 N 1.18 3.00 -0.27 1.45 -0.08 -1.26 -4.88 116.55 115.69 2b5y n ASP 77 Ca 0.19 0.55 0.17 0.00 -1.51 0.00 0.00 54.79 54.18 2b5y n ASP 77 Cb 0.54 -1.40 0.45 0.00 2.34 0.00 0.00 41.12 43.04 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 12.16 0.52 -0.12 -0.67 0.11 -1.97 -1.10 132.00 140.93 2b5y h PRO 78 Ca -0.39 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2b5y h PRO 78 Cb 1.28 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2b5y h PRO 78 CO 0.97 0.34 -0.07 0.78 -0.21 0.00 0.00 178.00 179.81 2b5y h GLY 79 N 0.53 0.28 1.77 -0.55 0.00 -1.99 -2.19 103.07 100.92 2b5y h GLY 79 Ca 0.49 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 2b5y h GLY 79 CO -0.23 0.24 -0.50 1.70 0.00 0.00 0.00 176.54 177.75 2b5y h LYS 80 N -0.11 0.25 0.13 4.80 3.64 -1.72 0.18 116.57 123.74 2b5y h LYS 80 Ca 0.02 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2b5y h LYS 80 Cb 0.55 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2b5y h LYS 80 CO 0.02 0.70 -0.06 0.82 -2.27 0.00 0.00 179.45 178.65 2b5y h ILE 81 N 0.20 0.94 -0.20 2.00 2.04 -1.21 -0.58 117.51 120.69 2b5y h ILE 81 Ca 0.01 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2b5y h ILE 81 Cb 0.96 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2b5y h ILE 81 CO 0.08 0.07 0.02 0.50 0.00 0.00 0.00 178.15 178.82 2b5y h LYS 82 N -0.32 0.09 -0.25 2.37 1.63 -1.20 -1.24 116.57 117.65 2b5y h LYS 82 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2b5y h LYS 82 Cb 0.25 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2b5y h LYS 82 CO 0.03 0.06 0.07 0.93 -3.45 0.00 0.00 179.45 177.09 2b5y h GLU 83 N 0.09 0.40 -0.17 1.90 5.08 -0.45 -0.21 114.58 121.22 2b5y h GLU 83 Ca 0.09 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2b5y h GLU 83 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2b5y h GLU 83 CO -0.14 0.48 -0.22 1.15 -1.00 0.00 0.00 179.01 179.28 2b5y h THR 84 N 0.24 1.23 -0.81 1.13 2.02 -1.08 -0.33 112.91 115.30 2b5y h THR 84 Ca 0.08 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 2b5y h THR 84 Cb 0.26 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2b5y h THR 84 CO -0.00 0.33 0.39 0.00 0.37 0.00 0.00 175.52 176.61 2b5y h ALA 85 N 1.51 1.16 -0.39 6.16 0.00 -0.56 -2.14 119.26 125.00 2b5y h ALA 85 Ca 0.05 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2b5y h ALA 85 Cb 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b5y h ALA 85 CO 0.04 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.59 2b5y h ALA 86 N 1.28 0.66 0.00 0.00 0.00 -0.16 0.70 119.26 121.74 2b5y h ALA 86 Ca 0.28 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2b5y h ALA 86 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b5y h ALA 86 CO -0.04 0.67 -0.01 0.93 0.00 0.00 0.00 179.25 180.81 2b5y h GLU 87 N 0.75 0.00 -0.06 0.00 4.39 -0.67 -2.72 114.58 116.27 2b5y h GLU 87 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2b5y h GLU 87 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2b5y h GLU 87 CO 0.08 0.01 0.00 0.72 -1.16 0.00 0.00 179.01 178.66 2b5y n HIS 88 N -3.11 0.10 -3.65 4.33 8.25 -0.84 -5.01 115.22 115.28 2b5y n HIS 88 Ca -0.01 -0.63 -0.25 0.00 -0.26 0.00 0.00 57.72 56.58 2b5y n HIS 88 Cb 0.24 -0.08 0.07 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.59 -5.73 -4.40 0.41 2.03 -0.50 -4.52 116.55 103.26 2b5y n ASP 89 Ca 0.06 -0.60 -0.44 0.00 0.52 0.00 0.00 54.79 54.33 2b5y n ASP 89 Cb 0.39 -4.80 -0.04 0.00 -0.72 0.00 0.00 41.12 35.95 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 -3.32 4.76 -0.13 5.18 1.01 0.12 -4.49 121.20 124.33 2b5y s ILE 90 Ca 0.56 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2b5y s ILE 90 Cb -0.25 -4.56 -0.01 0.00 0.01 0.00 0.00 42.46 37.64 2b5y s ILE 90 CO 0.75 -1.24 0.23 0.35 0.00 0.00 0.00 174.94 175.04 2b5y n THR 91 N 5.52 0.00 -0.91 2.92 -2.24 -1.26 -4.64 114.28 113.66 2b5y n THR 91 Ca -0.03 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 2b5y n THR 91 Cb 0.44 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.82 1.16 0.16 -0.78 0.00 -1.26 -4.94 119.66 113.17 2b5y s GLN 92 Ca 0.01 1.24 -0.33 0.00 -0.00 0.00 0.00 55.36 56.28 2b5y s GLN 92 Cb 0.01 -1.77 -0.16 0.00 0.00 0.00 0.00 33.01 31.10 2b5y s GLN 92 CO 0.05 -2.43 1.16 -2.30 0.00 0.00 0.00 175.29 171.77 2b5y n PRO 93 N -4.07 1.08 -4.32 9.60 -0.02 -1.26 -4.76 135.00 131.26 2b5y n PRO 93 Ca 0.09 0.39 -0.28 0.00 -2.02 0.00 0.00 63.50 61.68 2b5y n PRO 93 Cb 0.53 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.14 2.93 -0.44 4.25 1.01 -0.34 -1.07 121.20 127.40 2b5y s ILE 94 Ca 0.75 -1.69 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2b5y s ILE 94 Cb -0.88 -2.42 0.14 0.00 0.01 0.00 0.00 42.46 39.31 2b5y s ILE 94 CO 0.52 -0.05 0.26 0.12 0.00 0.00 0.00 174.94 175.79 2b5y s PHE 95 N -1.54 1.82 0.91 3.97 2.19 0.22 -3.55 117.98 122.00 2b5y s PHE 95 Ca 0.22 -2.36 -0.10 0.00 0.33 0.00 0.00 56.93 55.02 2b5y s PHE 95 Cb -0.09 -1.71 0.14 0.00 -1.31 0.00 0.00 43.02 40.05 2b5y s PHE 95 CO 0.13 -0.78 1.12 0.08 1.83 0.00 0.00 175.22 177.60 2b5y s VAL 96 N 0.32 2.38 0.06 3.12 1.01 -0.34 -1.59 120.40 125.36 2b5y s VAL 96 Ca 0.19 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2b5y s VAL 96 Cb -0.20 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2b5y s VAL 96 CO -0.03 -0.16 -0.15 -0.62 0.00 0.00 0.00 175.10 174.14 2b5y s ASP 97 N -2.87 1.82 0.23 3.32 -1.08 -1.23 -3.75 116.67 113.12 2b5y s ASP 97 Ca 0.65 -0.56 -0.07 0.00 -0.52 0.00 0.00 52.55 52.06 2b5y s ASP 97 Cb -0.21 -0.09 0.31 0.00 -1.46 0.00 0.00 42.92 41.46 2b5y s ASP 97 CO 0.58 -0.01 1.84 0.28 0.52 0.00 0.00 175.17 178.38 2b5y h SER 98 N 4.53 0.74 0.00 -0.34 0.02 -1.88 -3.45 113.55 113.17 2b5y h SER 98 Ca -0.41 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2b5y h SER 98 Cb 1.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2b5y h SER 98 CO 0.42 0.47 0.00 -0.67 -1.14 0.00 0.00 176.83 175.91 2b5y n ASP 99 N -4.68 0.00 -0.06 3.07 2.03 -1.26 -5.01 116.55 110.65 2b5y n ASP 99 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2b5y n ASP 99 Cb 0.18 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -1.22 0.00 0.29 -0.67 1.44 -1.26 -4.13 115.22 109.67 2b5y n HIS 100 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2b5y n HIS 100 Cb 0.00 0.15 -0.09 0.00 0.12 0.00 0.00 29.99 30.16 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 -1.09 -0.35 1.59 0.00 -1.94 0.11 119.26 117.58 2b5y h ALA 101 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2b5y h ALA 101 Cb 0.82 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2b5y h ALA 101 CO 0.00 -1.15 0.15 1.25 0.00 0.00 0.00 179.25 179.50 2b5y h LEU 102 N -0.98 0.43 -1.11 0.00 6.46 -1.85 -1.58 115.31 116.68 2b5y h LEU 102 Ca -0.06 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2b5y h LEU 102 Cb 0.85 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 2b5y h LEU 102 CO -0.05 0.39 0.44 0.74 -0.62 0.00 0.00 178.44 179.33 2b5y h THR 103 N 0.49 1.22 0.00 1.05 2.02 -1.56 -1.39 112.91 114.73 2b5y h THR 103 Ca 0.12 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 2b5y h THR 103 Cb 0.08 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2b5y h THR 103 CO -0.01 0.24 -0.64 -0.78 0.37 0.00 0.00 175.52 174.69 2b5y h ASP 104 N 1.07 0.00 0.75 4.18 3.58 -0.25 -0.08 116.42 125.67 2b5y h ASP 104 Ca 0.27 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.64 2b5y h ASP 104 Cb -0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2b5y h ASP 104 CO -0.05 0.28 -0.39 0.00 -2.88 0.00 0.00 179.24 176.21 2b5y h ALA 105 N 1.72 1.04 0.00 -0.78 0.00 -0.30 -3.28 119.26 117.65 2b5y h ALA 105 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2b5y h ALA 105 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2b5y h ALA 105 CO 0.03 0.49 -0.34 1.97 0.00 0.00 0.00 179.25 181.40 2b5y n PHE 106 N -3.62 0.00 -4.23 0.00 -1.74 -0.92 -4.91 117.46 102.04 2b5y n PHE 106 Ca -0.01 -0.22 -0.31 0.00 -0.56 0.00 0.00 57.45 56.35 2b5y n PHE 106 Cb 0.50 -0.07 -0.07 0.00 1.52 0.00 0.00 39.48 41.36 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 -0.31 -1.72 -0.13 3.97 1.02 -0.14 -4.43 120.64 118.89 2b5y n GLU 107 Ca 0.03 0.20 -0.04 0.00 -0.02 0.00 0.00 57.16 57.34 2b5y n GLU 107 Cb 0.66 -4.05 0.04 0.00 -0.02 0.00 0.00 31.44 28.07 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 -1.70 -0.03 0.00 1.62 -0.73 -1.60 -3.46 115.58 109.68 2b5y h ASN 108 Ca -0.64 0.08 0.00 0.00 1.87 0.00 0.00 56.30 57.61 2b5y h ASN 108 Cb 1.39 0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.10 2b5y h ASN 108 CO 0.71 0.02 0.00 -0.62 -0.37 0.00 0.00 177.43 177.17 2b5y n GLU 109 N -5.12 0.00 -3.74 6.67 -0.58 -1.26 -4.86 120.64 111.75 2b5y n GLU 109 Ca 0.04 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.65 2b5y n GLU 109 Cb 0.21 -3.66 -0.13 0.00 -0.57 0.00 0.00 31.44 27.29 2b5y n GLU 109 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2b5y s TYR 110 N -0.91 -0.31 -0.09 -0.32 1.51 -1.26 -5.11 117.35 110.86 2b5y s TYR 110 Ca 0.00 0.74 -0.21 0.00 -1.01 0.00 0.00 57.07 56.60 2b5y s TYR 110 Cb 0.00 0.05 -0.17 0.00 -0.11 0.00 0.00 41.96 41.73 2b5y s TYR 110 CO 0.00 -0.21 0.70 0.28 -1.11 0.00 0.00 175.55 175.22 2b5y h VAL 111 N 5.65 1.10 -0.56 0.71 2.07 -1.92 -3.37 116.25 119.93 2b5y h VAL 111 Ca -0.38 -1.58 -0.32 0.00 0.82 0.00 0.00 66.70 65.25 2b5y h VAL 111 Cb 1.16 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 2b5y h VAL 111 CO 0.37 0.34 0.95 -2.16 0.02 0.00 0.00 177.57 177.09 2b5y s PRO 112 N -2.68 2.52 0.03 1.57 0.04 -1.26 -3.67 135.00 131.55 2b5y s PRO 112 Ca -0.13 -0.85 -0.02 0.00 0.04 0.00 0.00 61.00 60.05 2b5y s PRO 112 Cb -0.01 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.33 2b5y s PRO 112 CO 0.49 -3.75 0.00 0.00 0.04 0.00 0.00 177.00 173.78 2b5y s ALA 113 N 10.64 0.12 -0.12 8.56 0.00 -1.07 -1.16 121.76 138.71 2b5y s ALA 113 Ca 0.69 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 2b5y s ALA 113 Cb -0.03 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.30 2b5y s ALA 113 CO 0.08 -0.22 0.33 0.71 0.00 0.00 0.00 175.76 176.66 2b5y s TYR 114 N -2.02 -0.37 -0.07 0.00 2.02 -0.33 -0.48 117.35 116.09 2b5y s TYR 114 Ca -0.11 0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 57.47 2b5y s TYR 114 Cb -0.06 0.13 0.04 0.00 -0.40 0.00 0.00 41.96 41.67 2b5y s TYR 114 CO -0.03 -0.19 0.05 0.71 -1.57 0.00 0.00 175.55 174.53 2b5y s TYR 115 N 0.34 0.22 -0.35 2.71 1.51 -0.35 -1.33 117.35 120.10 2b5y s TYR 115 Ca -0.01 0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2b5y s TYR 115 Cb -0.03 -0.59 0.07 0.00 -0.11 0.00 0.00 41.96 41.30 2b5y s TYR 115 CO -0.01 -0.28 0.10 0.08 -1.11 0.00 0.00 175.55 174.32 2b5y s VAL 116 N 2.12 3.23 -0.04 0.71 1.01 0.24 -1.00 120.40 126.66 2b5y s VAL 116 Ca 0.04 -1.62 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 2b5y s VAL 116 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2b5y s VAL 116 CO -0.05 -0.35 0.35 -0.36 0.00 0.00 0.00 175.10 174.69 2b5y s PHE 117 N 1.23 3.67 1.07 5.22 0.40 0.00 -0.59 117.98 128.98 2b5y s PHE 117 Ca 0.01 0.86 -0.15 0.00 -0.60 0.00 0.00 56.93 57.05 2b5y s PHE 117 Cb -0.21 -2.24 0.22 0.00 0.51 0.00 0.00 43.02 41.30 2b5y s PHE 117 CO -0.02 0.60 1.12 0.34 0.70 0.00 0.00 175.22 177.96 2b5y s ASP 118 N -0.84 2.04 0.08 1.36 2.15 -0.07 -0.67 116.67 120.71 2b5y s ASP 118 Ca 0.21 0.87 0.06 0.00 0.43 0.00 0.00 52.55 54.13 2b5y s ASP 118 Cb -0.15 -1.33 0.33 0.00 -0.30 0.00 0.00 42.92 41.47 2b5y s ASP 118 CO 0.11 -3.46 1.20 2.29 -0.17 0.00 0.00 175.17 175.13 2b5y n LYS 119 N -4.35 0.03 0.04 4.34 2.85 -1.26 -0.81 118.16 119.01 2b5y n LYS 119 Ca 0.09 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.98 2b5y n LYS 119 Cb 0.59 -1.61 0.49 0.00 -0.65 0.00 0.00 35.03 33.84 2b5y n LYS 119 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2b5y n THR 120 N -1.68 0.46 -1.05 0.58 -2.24 -1.26 -3.67 114.28 105.41 2b5y n THR 120 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2b5y n THR 120 Cb 0.03 -0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 67.54 2b5y n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b5y n GLY 121 N 0.96 0.54 3.65 3.38 0.00 0.01 -5.03 105.19 108.70 2b5y n GLY 121 Ca 0.05 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.37 2.95 0.04 1.61 -1.52 -1.25 -2.99 119.66 117.12 2b5y s GLN 122 Ca 0.00 -0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.66 2b5y s GLN 122 Cb 0.00 -2.75 -0.07 0.00 -0.22 0.00 0.00 33.01 29.97 2b5y s GLN 122 CO 0.00 0.68 1.58 -1.17 -0.25 0.00 0.00 175.29 176.13 2b5y s LEU 123 N -0.82 4.35 -0.26 2.90 2.96 0.41 -0.89 118.68 127.33 2b5y s LEU 123 Ca 0.12 2.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 2b5y s LEU 123 Cb -0.11 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 2b5y s LEU 123 CO 0.02 -0.84 -0.24 -1.14 -1.32 0.00 0.00 176.35 172.83 2b5y n ARG 124 N 5.60 0.64 -3.59 1.98 0.00 0.24 -2.13 116.66 119.39 2b5y n ARG 124 Ca 0.15 0.16 -0.15 0.00 -0.00 0.00 0.00 57.85 58.01 2b5y n ARG 124 Cb 0.41 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.30 2b5y n ARG 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2b5y s HIS 125 N -2.51 -0.44 0.05 -0.14 2.46 -0.98 -4.88 115.29 108.85 2b5y s HIS 125 Ca -0.35 0.60 -0.13 0.00 0.47 0.00 0.00 55.06 55.65 2b5y s HIS 125 Cb 0.09 0.32 0.02 0.00 -0.13 0.00 0.00 32.58 32.88 2b5y s HIS 125 CO 0.58 -0.59 0.28 -0.59 -2.47 0.00 0.00 174.74 171.95 2b5y s PHE 126 N -1.95 -0.07 0.28 3.88 -0.12 -1.26 -0.60 117.98 118.14 2b5y s PHE 126 Ca -0.08 -0.10 -0.08 0.00 -0.05 0.00 0.00 56.93 56.62 2b5y s PHE 126 Cb -0.01 0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.44 2b5y s PHE 126 CO 0.02 -0.50 0.44 -0.65 -0.05 0.00 0.00 175.22 174.48 2b5y s GLN 127 N -2.66 1.65 -0.09 1.99 -1.52 -0.44 -5.01 119.66 113.58 2b5y s GLN 127 Ca -0.04 -1.48 -0.06 0.00 -1.95 0.00 0.00 55.36 51.83 2b5y s GLN 127 Cb -0.01 0.44 0.04 0.00 -0.22 0.00 0.00 33.01 33.26 2b5y s GLN 127 CO -0.04 -0.67 0.22 0.00 -0.25 0.00 0.00 175.29 174.55 2b5y s ALA 128 N -3.65 -0.51 0.32 6.09 0.00 -1.26 -1.19 121.76 121.55 2b5y s ALA 128 Ca 0.27 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2b5y s ALA 128 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2b5y s ALA 128 CO 0.13 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2b5y n GLY 129 N 3.82 -3.25 0.00 0.00 0.00 -0.31 -4.99 105.19 100.45 2b5y n GLY 129 Ca -0.21 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2b5y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5y n GLY 130 N -2.65 2.69 3.55 -0.02 0.00 -1.26 -4.92 105.19 102.58 2b5y n GLY 130 Ca -0.03 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2b5y n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b5y n SER 131 N 0.00 2.21 -2.31 1.61 7.64 -1.26 -1.36 113.62 120.15 2b5y n SER 131 Ca 0.00 -0.61 -0.10 0.00 1.01 0.00 0.00 58.87 59.16 2b5y n SER 131 Cb 0.00 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 61.61 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 6.11 -0.32 1.76 0.23 0.00 -1.26 -1.13 105.19 110.57 2b5y n GLY 132 Ca 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.62 -1.77 -0.05 1.61 3.85 -0.46 -4.75 117.12 112.92 2b5y n MET 133 Ca -0.12 0.19 0.02 0.00 -1.00 0.00 0.00 57.70 56.79 2b5y n MET 133 Cb 0.56 -4.44 0.34 0.00 -1.05 0.00 0.00 33.22 28.63 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 0.63 -0.03 3.17 1.63 -1.41 -0.84 116.57 119.72 2b5y h LYS 134 Ca -0.08 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2b5y h LYS 134 Cb 0.57 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2b5y h LYS 134 CO 0.10 0.49 0.16 0.00 -3.45 0.00 0.00 179.45 176.75 2b5y h MET 135 N 0.64 0.00 -0.46 1.90 -0.00 -1.88 -1.80 114.93 113.32 2b5y h MET 135 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.83 2b5y h MET 135 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.64 2b5y h MET 135 CO -0.02 0.00 0.13 1.25 -0.00 0.00 0.00 176.91 178.27 2b5y h LEU 136 N 0.00 0.62 -0.89 -0.10 5.85 -1.53 -1.07 115.31 118.19 2b5y h LEU 136 Ca 0.02 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.78 2b5y h LEU 136 Cb 0.33 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2b5y h LEU 136 CO -0.00 0.61 0.50 -0.08 -0.34 0.00 0.00 178.44 179.12 2b5y h GLU 137 N 0.67 0.72 -0.13 1.25 4.81 -1.50 -0.14 114.58 120.26 2b5y h GLU 137 Ca 0.15 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 2b5y h GLU 137 Cb 0.22 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.44 2b5y h GLU 137 CO -0.01 0.47 -0.63 0.87 -0.73 0.00 0.00 179.01 178.99 2b5y h LYS 138 N 0.74 0.65 -0.52 1.92 1.57 -1.37 -0.53 116.57 119.02 2b5y h LYS 138 Ca 0.47 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2b5y h LYS 138 Cb 0.59 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2b5y h LYS 138 CO -0.32 1.15 0.24 0.00 -0.57 0.00 0.00 179.45 179.94 2b5y h ARG 139 N 0.31 0.76 0.24 3.15 2.47 -0.54 0.13 114.38 120.89 2b5y h ARG 139 Ca -0.04 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2b5y h ARG 139 Cb 1.27 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 2b5y h ARG 139 CO 0.13 0.64 -0.17 0.28 0.56 0.00 0.00 179.97 181.41 2b5y h VAL 140 N 0.70 0.63 0.00 2.04 2.07 -1.09 -2.67 116.25 117.93 2b5y h VAL 140 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 2b5y h VAL 140 Cb 0.14 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2b5y h VAL 140 CO -0.02 0.00 -0.24 0.78 0.02 0.00 0.00 177.57 178.11 2b5y h ASN 141 N -0.41 0.00 -0.37 0.57 2.35 -0.28 0.17 115.58 117.62 2b5y h ASN 141 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2b5y h ASN 141 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2b5y h ASN 141 CO -0.00 0.24 0.04 0.03 -1.65 0.00 0.00 177.43 176.09 2b5y h ARG 142 N 0.00 0.62 -0.67 0.81 -0.00 -0.58 0.22 114.38 114.78 2b5y h ARG 142 Ca -0.00 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.98 59.27 2b5y h ARG 142 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.33 2b5y h ARG 142 CO 0.03 0.70 0.29 0.28 0.00 0.00 0.00 179.97 181.27 2b5y h VAL 143 N 0.45 1.22 -0.64 2.04 2.07 -0.88 -2.59 116.25 117.92 2b5y h VAL 143 Ca 0.11 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2b5y h VAL 143 Cb 0.39 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2b5y h VAL 143 CO 0.01 0.27 0.10 -0.07 0.02 0.00 0.00 177.57 177.90 2b5y h LEU 144 N 0.95 1.02 -1.02 2.57 3.38 -0.43 0.17 115.31 121.95 2b5y h LEU 144 Ca 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2b5y h LEU 144 Cb 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2b5y h LEU 144 CO -0.03 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.53 2b5y n ALA 145 N -2.46 1.29 0.00 1.53 0.00 0.70 -2.97 120.51 118.61 2b5y n ALA 145 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2b5y n ALA 145 Cb 0.29 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2b5y n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b5y n GLU 146 N -2.17 3.17 -1.76 0.00 1.02 -0.68 -5.03 120.64 115.19 2b5y n GLU 146 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2b5y n GLU 146 Cb 0.11 -0.77 0.03 0.00 -0.02 0.00 0.00 31.44 30.78 2b5y n GLU 146 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2b5y n THR 147 N -1.27 3.19 0.00 2.62 -1.04 0.52 -5.07 114.28 113.23 2b5y n THR 147 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2b5y n THR 147 Cb 0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 2b5y n THR 147 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81