#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbc s HIS 4 N 0.00 3.48 0.75 1.57 5.04 -1.26 -5.06 115.29 119.82 2cbc s HIS 4 Ca 0.00 0.29 -0.14 0.00 -1.54 0.00 0.00 55.06 53.67 2cbc s HIS 4 Cb 0.00 -1.81 0.05 0.00 0.04 0.00 0.00 32.58 30.86 2cbc s HIS 4 CO 0.00 0.41 1.19 1.67 -2.34 0.00 0.00 174.74 175.67 2cbc s TRP 5 N -1.84 2.03 0.00 3.88 1.48 -1.26 -4.87 118.94 118.36 2cbc s TRP 5 Ca 0.38 1.62 0.00 0.00 -1.06 0.00 0.00 56.10 57.04 2cbc s TRP 5 Cb -0.11 -3.43 0.00 0.00 -1.16 0.00 0.00 33.47 28.77 2cbc s TRP 5 CO 0.29 -2.58 0.00 0.41 -4.06 0.00 0.00 176.95 171.01 2cbc n GLY 6 N 0.28 2.36 0.10 3.67 0.00 -0.54 -5.03 105.19 106.03 2cbc n GLY 6 Ca 0.13 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.80 2cbc n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cbc n TYR 7 N 0.00 0.00 -2.35 1.61 4.02 -1.26 -3.83 117.16 115.35 2cbc n TYR 7 Ca 0.00 -0.85 -0.26 0.00 -0.01 0.00 0.00 57.90 56.79 2cbc n TYR 7 Cb 0.00 -0.13 0.14 0.00 -0.02 0.00 0.00 39.34 39.33 2cbc n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2cbc s GLY 8 N -2.49 1.77 0.31 2.72 0.00 -1.26 -4.72 107.32 103.64 2cbc s GLY 8 Ca 0.26 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 2cbc s GLY 8 CO 0.02 -0.89 1.94 1.70 0.00 0.00 0.00 173.10 175.87 2cbc h LYS 9 N -0.93 0.95 -0.00 2.90 1.63 -1.97 0.58 116.57 119.72 2cbc h LYS 9 Ca -0.39 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2cbc h LYS 9 Cb 1.26 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2cbc h LYS 9 CO 0.40 0.69 -0.55 0.72 -3.45 0.00 0.00 179.45 177.25 2cbc n HIS 10 N -4.38 0.00 -1.79 1.91 8.25 -1.26 -4.43 115.22 113.53 2cbc n HIS 10 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2cbc n HIS 10 Cb 0.09 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2cbc n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2cbc n ASN 11 N -1.29 0.00 -4.30 0.41 6.94 -1.13 -4.83 115.26 111.06 2cbc n ASN 11 Ca 0.07 -1.72 -0.29 0.00 -0.02 0.00 0.00 54.58 52.61 2cbc n ASN 11 Cb 0.34 -0.14 0.20 0.00 -2.36 0.00 0.00 39.78 37.82 2cbc n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2cbc s GLY 12 N -0.72 1.59 0.49 4.83 0.00 0.18 -1.47 107.32 112.21 2cbc s GLY 12 Ca 0.00 -0.70 0.33 0.00 0.00 0.00 0.00 44.72 44.35 2cbc s GLY 12 CO 0.00 0.04 1.74 -2.55 0.00 0.00 0.00 173.10 172.33 2cbc h PRO 13 N -2.12 0.11 0.00 2.90 0.11 -1.84 0.91 132.00 132.06 2cbc h PRO 13 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cbc h PRO 13 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2cbc h PRO 13 CO 0.47 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 2cbc n GLU 14 N -4.34 0.13 -0.00 1.05 -0.58 -1.26 -2.64 120.64 113.00 2cbc n GLU 14 Ca 0.30 0.40 0.08 0.00 -0.42 0.00 0.00 57.16 57.52 2cbc n GLU 14 Cb 1.28 -1.77 -0.10 0.00 -0.57 0.00 0.00 31.44 30.29 2cbc n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2cbc n HIS 15 N -2.02 0.00 -0.11 -0.32 8.25 0.31 -4.64 115.22 116.70 2cbc n HIS 15 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 2cbc n HIS 15 Cb 0.19 -0.02 0.39 0.00 1.12 0.00 0.00 29.99 31.67 2cbc n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2cbc h TRP 16 N 0.00 0.64 -0.64 4.41 6.55 -1.47 -2.44 115.95 123.00 2cbc h TRP 16 Ca 0.00 0.02 0.17 0.00 0.95 0.00 0.00 58.89 60.03 2cbc h TRP 16 Cb 0.42 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 2cbc h TRP 16 CO 0.00 0.36 0.45 1.12 -1.05 0.00 0.00 178.44 179.33 2cbc h HIS 17 N 0.65 0.11 -0.86 0.49 2.07 -1.80 0.20 115.15 116.02 2cbc h HIS 17 Ca 0.25 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.74 2cbc h HIS 17 Cb 0.16 -0.04 -0.04 0.00 2.57 0.00 0.00 27.41 30.06 2cbc h HIS 17 CO -0.00 0.04 0.42 0.87 -3.07 0.00 0.00 177.93 176.19 2cbc h LYS 18 N 0.09 1.23 0.00 5.12 1.57 -1.78 -2.73 116.57 120.08 2cbc h LYS 18 Ca 0.31 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2cbc h LYS 18 Cb 1.09 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2cbc h LYS 18 CO -0.03 0.94 -1.99 -0.25 -0.57 0.00 0.00 179.45 177.54 2cbc n ASP 19 N -4.31 0.20 -3.63 0.86 8.00 -0.82 -4.73 116.55 112.12 2cbc n ASP 19 Ca 0.09 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 2cbc n ASP 19 Cb 0.14 1.20 -0.12 0.00 -0.02 0.00 0.00 41.12 42.32 2cbc n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2cbc s PHE 20 N -3.01 1.91 0.58 1.24 0.08 0.65 -4.98 117.98 114.46 2cbc s PHE 20 Ca -0.07 -2.50 0.28 0.00 0.12 0.00 0.00 56.93 54.76 2cbc s PHE 20 Cb 0.10 -1.68 1.59 0.00 -0.57 0.00 0.00 43.02 42.46 2cbc s PHE 20 CO 0.86 -0.75 2.05 -1.00 -0.10 0.00 0.00 175.22 176.27 2cbc h PRO 21 N 6.19 0.00 0.00 0.24 0.13 -1.72 -0.04 132.00 136.80 2cbc h PRO 21 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2cbc h PRO 21 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2cbc h PRO 21 CO 0.47 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.75 2cbc n ILE 22 N -3.84 1.73 0.14 -3.56 3.06 -1.26 -2.06 119.36 113.58 2cbc n ILE 22 Ca 0.03 0.43 0.18 0.00 -2.50 0.00 0.00 62.75 60.90 2cbc n ILE 22 Cb 0.41 -1.38 0.78 0.00 0.54 0.00 0.00 39.64 39.99 2cbc n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2cbc h ALA 23 N 2.11 2.01 -0.49 1.51 0.00 -1.33 0.17 119.26 123.24 2cbc h ALA 23 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2cbc h ALA 23 Cb 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2cbc h ALA 23 CO 0.00 -0.43 0.10 1.63 0.00 0.00 0.00 179.25 180.55 2cbc n LYS 24 N -3.93 3.21 -0.85 0.00 5.02 -0.88 -4.96 118.16 115.78 2cbc n LYS 24 Ca 0.04 -3.03 -0.30 0.00 -2.02 0.00 0.00 58.31 53.00 2cbc n LYS 24 Cb 0.43 -2.02 0.26 0.00 -0.02 0.00 0.00 35.03 33.68 2cbc n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2cbc s GLY 25 N -1.60 1.53 0.18 0.72 0.00 0.58 -4.98 107.32 103.75 2cbc s GLY 25 Ca 0.49 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.51 2cbc s GLY 25 CO 0.10 0.01 1.35 0.83 0.00 0.00 0.00 173.10 175.39 2cbc h GLU 26 N -2.89 0.00 -1.67 2.90 4.39 -1.95 -3.38 114.58 111.97 2cbc h GLU 26 Ca -0.44 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.80 2cbc h GLU 26 Cb 1.31 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.55 2cbc h GLU 26 CO 0.31 0.00 -1.12 2.89 -1.16 0.00 0.00 179.01 179.93 2cbc n ARG 27 N -2.36 1.40 -3.19 2.33 1.85 -1.26 -4.61 116.66 110.82 2cbc n ARG 27 Ca 0.03 -3.55 -0.32 0.00 -1.00 0.00 0.00 57.85 53.01 2cbc n ARG 27 Cb 0.47 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 2cbc n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2cbc s GLN 28 N -2.83 3.88 0.22 2.89 -1.52 -1.26 -2.69 119.66 118.35 2cbc s GLN 28 Ca 0.37 0.46 0.08 0.00 -1.95 0.00 0.00 55.36 54.33 2cbc s GLN 28 Cb 0.38 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2cbc s GLN 28 CO -0.05 0.18 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.90 2cbc s SER 29 N -2.51 2.68 0.95 5.90 0.01 -1.26 -4.66 113.70 114.81 2cbc s SER 29 Ca 0.51 -1.03 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 2cbc s SER 29 Cb -0.11 -0.15 0.18 0.00 0.21 0.00 0.00 66.02 66.15 2cbc s SER 29 CO 0.22 -0.16 1.08 -0.81 0.41 0.00 0.00 173.24 173.97 2cbc n PRO 30 N -0.42 -0.91 -4.24 12.44 -0.04 -1.26 -4.66 135.00 135.91 2cbc n PRO 30 Ca -0.08 -1.83 -0.14 0.00 -0.04 0.00 0.00 63.50 61.42 2cbc n PRO 30 Cb 0.60 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 2cbc n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cbc s VAL 31 N -3.31 0.62 0.07 0.52 -7.23 -1.26 0.15 120.40 109.96 2cbc s VAL 31 Ca 0.62 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 2cbc s VAL 31 Cb -0.02 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 2cbc s VAL 31 CO 0.43 -0.42 0.82 -0.62 -0.31 0.00 0.00 175.10 175.00 2cbc s ASP 32 N -3.18 7.30 -0.41 4.85 2.15 -1.26 -3.18 116.67 122.93 2cbc s ASP 32 Ca 0.26 1.55 -0.15 0.00 0.43 0.00 0.00 52.55 54.63 2cbc s ASP 32 Cb 0.06 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2cbc s ASP 32 CO 0.05 -0.00 0.33 -0.63 -0.17 0.00 0.00 175.17 174.74 2cbc s ILE 33 N -0.07 5.23 -0.39 4.11 1.01 0.28 -4.94 121.20 126.43 2cbc s ILE 33 Ca 0.41 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 2cbc s ILE 33 Cb -0.21 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.31 2cbc s ILE 33 CO 0.25 -0.34 0.56 -0.62 0.00 0.00 0.00 174.94 174.78 2cbc s ASP 34 N 1.74 6.31 0.44 3.58 2.15 -1.26 0.48 116.67 130.12 2cbc s ASP 34 Ca 0.06 -0.19 0.22 0.00 0.43 0.00 0.00 52.55 53.06 2cbc s ASP 34 Cb -0.19 -2.28 1.01 0.00 -0.30 0.00 0.00 42.92 41.16 2cbc s ASP 34 CO 0.10 -0.60 1.89 0.71 -0.17 0.00 0.00 175.17 177.11 2cbc h THR 35 N 5.72 0.79 0.00 1.71 1.35 -1.95 -1.22 112.91 119.30 2cbc h THR 35 Ca -0.27 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2cbc h THR 35 Cb 1.11 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2cbc h THR 35 CO 0.82 0.25 -0.25 1.41 -0.25 0.00 0.00 175.52 177.49 2cbc n HIS 36 N -3.67 0.71 0.18 4.73 8.25 -1.26 -3.88 115.22 120.28 2cbc n HIS 36 Ca -0.01 0.21 0.06 0.00 -0.26 0.00 0.00 57.72 57.72 2cbc n HIS 36 Cb 0.37 -0.79 -0.09 0.00 1.12 0.00 0.00 29.99 30.60 2cbc n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2cbc n THR 37 N -2.14 0.00 -2.08 1.59 -1.04 -0.93 -4.96 114.28 104.71 2cbc n THR 37 Ca 0.05 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 2cbc n THR 37 Cb 0.43 0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 69.37 2cbc n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cbc s ALA 38 N -2.66 3.52 -0.21 2.41 0.00 -0.50 -4.79 121.76 119.53 2cbc s ALA 38 Ca -0.02 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 2cbc s ALA 38 Cb 0.09 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2cbc s ALA 38 CO 0.52 -0.68 0.11 0.21 0.00 0.00 0.00 175.76 175.93 2cbc s LYS 39 N -1.50 4.06 0.15 0.00 2.36 -0.34 -4.85 119.74 119.62 2cbc s LYS 39 Ca 0.51 -0.29 -0.31 0.00 -2.55 0.00 0.00 55.97 53.33 2cbc s LYS 39 Cb -0.40 -3.38 -0.09 0.00 -1.05 0.00 0.00 37.83 32.91 2cbc s LYS 39 CO 0.51 0.20 1.42 -0.47 1.55 0.00 0.00 175.35 178.57 2cbc s TYR 40 N 0.61 3.18 -0.27 4.03 5.04 -1.26 -0.29 117.35 128.39 2cbc s TYR 40 Ca 0.06 0.92 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 2cbc s TYR 40 Cb -0.12 -3.74 0.07 0.00 0.35 0.00 0.00 41.96 38.52 2cbc s TYR 40 CO 0.01 -2.58 -0.04 0.34 -1.34 0.00 0.00 175.55 171.93 2cbc s ASP 41 N 0.93 4.30 0.00 4.32 -1.08 0.13 -4.85 116.67 120.42 2cbc s ASP 41 Ca 0.64 -1.51 0.18 0.00 -0.52 0.00 0.00 52.55 51.34 2cbc s ASP 41 Cb -0.39 -1.40 0.78 0.00 -1.46 0.00 0.00 42.92 40.44 2cbc s ASP 41 CO 0.33 -0.26 1.56 -0.81 0.52 0.00 0.00 175.17 176.51 2cbc n PRO 42 N 4.50 0.04 0.00 4.34 -0.04 -1.26 -1.65 135.00 140.93 2cbc n PRO 42 Ca -0.09 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2cbc n PRO 42 Cb 0.43 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.74 2cbc n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cbc n SER 43 N -1.46 0.76 -4.73 3.54 3.41 -1.26 -4.84 113.62 109.04 2cbc n SER 43 Ca 0.05 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.65 2cbc n SER 43 Cb 0.20 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 2cbc n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2cbc s LEU 44 N -2.69 4.45 0.49 1.04 1.43 -0.66 -5.03 118.68 117.71 2cbc s LEU 44 Ca 0.20 1.94 -0.05 0.00 -1.03 0.00 0.00 54.13 55.19 2cbc s LEU 44 Cb 0.19 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 2cbc s LEU 44 CO 0.58 -0.23 0.78 -0.54 0.23 0.00 0.00 176.35 177.17 2cbc s LYS 45 N 0.18 3.42 0.55 1.70 1.02 -1.22 -4.99 119.74 120.41 2cbc s LYS 45 Ca 0.51 0.11 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 2cbc s LYS 45 Cb -0.27 -2.38 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 2cbc s LYS 45 CO 0.32 -0.26 1.14 -2.14 -0.92 0.00 0.00 175.35 173.48 2cbc s PRO 46 N -4.75 3.32 0.58 -1.68 0.02 -1.26 -2.82 135.00 128.41 2cbc s PRO 46 Ca 0.48 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.96 2cbc s PRO 46 Cb -0.10 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2cbc s PRO 46 CO 0.44 -0.88 1.08 -0.51 -0.33 0.00 0.00 177.00 176.80 2cbc s LEU 47 N -3.82 3.59 -0.24 -5.54 1.43 -1.26 -1.74 118.68 111.09 2cbc s LEU 47 Ca 0.73 1.96 -0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2cbc s LEU 47 Cb -0.24 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.49 2cbc s LEU 47 CO 0.27 -1.21 -0.00 -0.55 0.23 0.00 0.00 176.35 175.09 2cbc s SER 48 N -2.37 3.74 -0.36 2.29 0.15 0.07 -4.87 113.70 112.35 2cbc s SER 48 Ca 0.67 -1.24 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 2cbc s SER 48 Cb -0.19 -1.03 0.02 0.00 -1.71 0.00 0.00 66.02 63.11 2cbc s SER 48 CO 0.33 -0.29 0.18 -0.69 1.20 0.00 0.00 173.24 173.97 2cbc s VAL 49 N 1.50 4.50 -0.61 4.45 1.01 -1.26 -0.68 120.40 129.31 2cbc s VAL 49 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2cbc s VAL 49 Cb -0.18 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 32.88 2cbc s VAL 49 CO -0.10 -0.16 0.40 -0.44 0.00 0.00 0.00 175.10 174.80 2cbc s SER 50 N 1.55 4.91 0.00 3.32 0.01 0.53 -4.90 113.70 119.12 2cbc s SER 50 Ca 0.02 -3.05 0.12 0.00 1.31 0.00 0.00 55.95 54.36 2cbc s SER 50 Cb -0.19 -1.76 0.34 0.00 0.21 0.00 0.00 66.02 64.62 2cbc s SER 50 CO 0.06 -0.28 1.29 -1.22 0.41 0.00 0.00 173.24 173.49 2cbc n TYR 51 N 3.16 0.52 0.24 2.43 4.01 -1.26 -1.33 117.16 124.93 2cbc n TYR 51 Ca 0.08 -0.49 0.09 0.00 -0.16 0.00 0.00 57.90 57.42 2cbc n TYR 51 Cb 0.35 -0.02 0.62 0.00 -0.31 0.00 0.00 39.34 39.98 2cbc n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2cbc h ASP 52 N 2.31 0.00 -0.60 7.72 2.03 -1.90 -2.83 116.42 123.14 2cbc h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2cbc h ASP 52 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2cbc h ASP 52 CO 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 179.24 178.37 2cbc n GLN 53 N -3.93 4.03 -1.71 4.15 1.13 -1.25 -5.01 117.38 114.78 2cbc n GLN 53 Ca -0.02 -2.96 -0.43 0.00 -1.94 0.00 0.00 57.00 51.65 2cbc n GLN 53 Cb 0.25 -1.99 -0.01 0.00 0.11 0.00 0.00 30.24 28.59 2cbc n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cbc n ALA 54 N 0.87 1.65 -3.90 -1.58 0.00 -1.07 -4.59 120.51 111.88 2cbc n ALA 54 Ca 0.26 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.77 2cbc n ALA 54 Cb 0.97 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 2cbc n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cbc s THR 55 N -0.52 1.71 0.49 0.00 2.01 -1.26 -4.91 115.64 113.16 2cbc s THR 55 Ca 0.61 -1.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.48 2cbc s THR 55 Cb -0.57 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2cbc s THR 55 CO 0.55 -0.62 1.00 -0.94 -0.69 0.00 0.00 174.62 173.93 2cbc s SER 56 N 1.20 6.50 0.00 3.53 1.04 -1.26 -0.56 113.70 124.14 2cbc s SER 56 Ca 0.10 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2cbc s SER 56 Cb -0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2cbc s SER 56 CO -0.15 -0.67 0.00 0.18 0.98 0.00 0.00 173.24 173.58 2cbc n LEU 57 N -1.21 1.16 -3.56 2.42 4.77 0.03 -4.03 117.00 116.58 2cbc n LEU 57 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2cbc n LEU 57 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2cbc n LEU 57 CO 0.42 0.13 0.33 -0.60 -1.33 0.00 0.00 177.39 176.34 2cbc s ARG 58 N -1.87 1.30 -0.03 3.23 3.52 -1.20 -0.93 118.95 122.96 2cbc s ARG 58 Ca 0.00 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2cbc s ARG 58 Cb 0.00 0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 2cbc s ARG 58 CO 0.00 -0.56 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.24 2cbc s ILE 59 N -3.80 1.57 -0.00 4.11 2.07 -0.09 -0.55 121.20 124.51 2cbc s ILE 59 Ca 0.04 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 2cbc s ILE 59 Cb -0.01 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.25 2cbc s ILE 59 CO -0.09 0.45 -0.00 -0.22 -1.91 0.00 0.00 174.94 173.16 2cbc s LEU 60 N -0.19 1.99 -0.43 8.50 2.96 -0.24 -1.40 118.68 129.86 2cbc s LEU 60 Ca 0.01 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 2cbc s LEU 60 Cb -0.10 -0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.59 2cbc s LEU 60 CO 0.01 0.00 0.57 0.21 -1.32 0.00 0.00 176.35 175.82 2cbc s ASN 61 N 0.00 6.27 -0.02 3.68 3.84 -0.24 -1.08 114.94 127.39 2cbc s ASN 61 Ca 0.00 -0.49 0.17 0.00 0.21 0.00 0.00 52.86 52.75 2cbc s ASN 61 Cb -0.00 -2.28 0.53 0.00 -0.55 0.00 0.00 41.25 38.95 2cbc s ASN 61 CO -0.00 -0.71 1.44 -0.46 -2.79 0.00 0.00 177.10 174.58 2cbc n ASN 62 N 6.01 3.30 0.00 -4.21 0.23 -0.57 -1.40 115.26 118.62 2cbc n ASN 62 Ca -0.04 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2cbc n ASN 62 Cb 0.48 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2cbc n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cbc n GLY 63 N 1.34 1.17 0.00 4.83 0.00 -1.26 -4.80 105.19 106.47 2cbc n GLY 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2cbc n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cbc n HIS 64 N -2.00 0.00 -2.90 1.61 8.25 -1.26 -4.67 115.22 114.25 2cbc n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2cbc n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2cbc n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cbc n ALA 65 N -1.41 0.00 -3.22 -1.41 0.00 -1.26 -4.87 120.51 108.34 2cbc n ALA 65 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2cbc n ALA 65 Cb 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.46 2cbc n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2cbc s PHE 66 N -4.65 1.80 -0.10 0.00 -0.12 -1.26 -1.52 117.98 112.13 2cbc s PHE 66 Ca 0.00 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.23 2cbc s PHE 66 Cb 0.00 -1.25 -0.03 0.00 -0.63 0.00 0.00 43.02 41.11 2cbc s PHE 66 CO 0.00 -0.27 -0.04 -0.80 -0.05 0.00 0.00 175.22 174.06 2cbc s ASN 67 N 0.38 4.89 -0.25 1.98 0.02 -0.24 -4.19 114.94 117.53 2cbc s ASN 67 Ca -0.12 0.01 -0.12 0.00 -1.02 0.00 0.00 52.86 51.61 2cbc s ASN 67 Cb -0.15 -1.44 -0.05 0.00 0.02 0.00 0.00 41.25 39.63 2cbc s ASN 67 CO 0.04 0.31 0.22 -0.69 0.02 0.00 0.00 177.10 177.01 2cbc s VAL 68 N -0.51 5.30 0.08 1.60 1.01 -0.36 -1.08 120.40 126.45 2cbc s VAL 68 Ca 0.08 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2cbc s VAL 68 Cb -0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2cbc s VAL 68 CO 0.02 0.28 0.14 -1.61 0.00 0.00 0.00 175.10 173.94 2cbc s GLU 69 N 1.44 3.14 0.22 2.72 2.02 0.29 -1.78 118.70 126.74 2cbc s GLU 69 Ca 0.09 -0.59 0.11 0.00 0.02 0.00 0.00 54.97 54.60 2cbc s GLU 69 Cb -0.15 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 2cbc s GLU 69 CO 0.08 0.58 -0.21 -0.06 0.02 0.00 0.00 175.26 175.67 2cbc s PHE 70 N -1.47 2.16 -0.23 1.61 0.40 -0.41 -0.79 117.98 119.24 2cbc s PHE 70 Ca 0.32 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 2cbc s PHE 70 Cb -0.12 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.40 2cbc s PHE 70 CO 0.25 0.53 1.09 0.34 0.70 0.00 0.00 175.22 178.13 2cbc s ASP 71 N -3.02 7.04 -0.20 1.36 2.15 0.27 -4.84 116.67 119.44 2cbc s ASP 71 Ca 0.23 1.39 0.15 0.00 0.43 0.00 0.00 52.55 54.75 2cbc s ASP 71 Cb -0.06 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.46 2cbc s ASP 71 CO 0.11 -0.72 1.33 -0.90 -0.17 0.00 0.00 175.17 174.82 2cbc n ASP 72 N 6.46 2.80 0.00 -0.34 5.75 -1.26 -4.65 116.55 125.31 2cbc n ASP 72 Ca 0.12 -3.36 0.12 0.00 -0.01 0.00 0.00 54.79 51.67 2cbc n ASP 72 Cb 0.46 -0.54 0.57 0.00 -1.03 0.00 0.00 41.12 40.59 2cbc n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2cbc n SER 73 N -1.01 0.00 -3.98 -1.12 3.41 -1.26 -4.83 113.62 104.83 2cbc n SER 73 Ca 0.23 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 2cbc n SER 73 Cb 0.84 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 2cbc n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2cbc s GLN 74 N -2.87 1.47 -1.28 4.33 -0.21 -1.26 -5.06 119.66 114.79 2cbc s GLN 74 Ca 0.16 -1.23 -0.12 0.00 0.02 0.00 0.00 55.36 54.19 2cbc s GLN 74 Cb 0.17 0.46 -0.06 0.00 1.00 0.00 0.00 33.01 34.58 2cbc s GLN 74 CO 0.44 -0.60 2.41 -0.25 -2.12 0.00 0.00 175.29 175.16 2cbc n ASP 75 N -0.35 5.57 -0.07 5.90 8.00 -1.26 -4.55 116.55 129.79 2cbc n ASP 75 Ca -0.03 -2.60 -0.06 0.00 0.71 0.00 0.00 54.79 52.81 2cbc n ASP 75 Cb 0.62 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 2cbc n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2cbc h LYS 76 N 6.03 0.00 -4.86 -1.24 1.57 -1.87 -3.45 116.57 112.76 2cbc h LYS 76 Ca 0.63 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.74 2cbc h LYS 76 Cb 0.41 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.37 2cbc h LYS 76 CO 1.77 0.22 -0.77 0.00 -0.57 0.00 0.00 179.45 180.09 2cbc s ALA 77 N -2.58 2.63 0.14 3.86 0.00 -1.26 -3.92 121.76 120.62 2cbc s ALA 77 Ca -0.12 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.17 2cbc s ALA 77 Cb 0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2cbc s ALA 77 CO 0.24 -1.14 -0.10 0.14 0.00 0.00 0.00 175.76 174.90 2cbc s VAL 78 N 1.17 1.13 -0.03 0.00 -7.23 -0.44 -1.05 120.40 113.94 2cbc s VAL 78 Ca -0.07 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2cbc s VAL 78 Cb -0.19 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 2cbc s VAL 78 CO -0.04 -0.71 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.59 2cbc s LEU 79 N -3.04 2.03 0.34 1.32 2.96 0.80 -0.35 118.68 122.74 2cbc s LEU 79 Ca 0.15 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 2cbc s LEU 79 Cb 0.02 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.52 2cbc s LEU 79 CO 0.00 0.25 0.57 -1.59 -1.32 0.00 0.00 176.35 174.26 2cbc s LYS 80 N -0.32 1.96 2.81 1.98 -2.85 0.15 -1.68 119.74 121.78 2cbc s LYS 80 Ca 0.03 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 2cbc s LYS 80 Cb -0.11 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2cbc s LYS 80 CO 0.01 -0.85 0.00 0.41 0.10 0.00 0.00 175.35 175.02 2cbc n GLY 81 N -0.53 -0.38 7.00 0.59 0.00 -1.26 -0.75 105.19 109.85 2cbc n GLY 81 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2cbc n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cbc n GLY 82 N 0.00 2.58 0.45 -0.02 0.00 -0.71 -1.39 105.19 106.10 2cbc n GLY 82 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.70 2cbc n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cbc n PRO 83 N 13.62 1.60 -3.11 1.61 -0.04 -1.26 -3.42 135.00 144.01 2cbc n PRO 83 Ca 0.00 -0.90 -0.32 0.00 -0.04 0.00 0.00 63.50 62.25 2cbc n PRO 83 Cb 0.00 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 2cbc n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cbc s LEU 84 N -1.67 4.02 -0.17 1.53 1.43 -0.49 -5.08 118.68 118.25 2cbc s LEU 84 Ca 0.33 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 2cbc s LEU 84 Cb 0.18 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 2cbc s LEU 84 CO 0.27 -0.24 -0.13 -1.81 0.23 0.00 0.00 176.35 174.68 2cbc s ASP 85 N -2.50 3.77 0.00 2.29 1.01 -1.26 -4.35 116.67 115.63 2cbc s ASP 85 Ca 0.53 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.32 2cbc s ASP 85 Cb -0.10 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.23 2cbc s ASP 85 CO 0.21 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.26 2cbc n GLY 86 N 4.27 -3.37 3.61 0.21 0.00 -1.26 -4.96 105.19 103.69 2cbc n GLY 86 Ca -0.19 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 2cbc n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cbc s THR 87 N -0.76 4.06 -0.11 2.61 2.01 -1.26 -4.53 115.64 117.66 2cbc s THR 87 Ca 0.00 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2cbc s THR 87 Cb 0.00 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.80 2cbc s THR 87 CO 0.00 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.98 2cbc s TYR 88 N -0.49 2.40 -0.10 4.92 1.51 -0.68 -1.46 117.35 123.45 2cbc s TYR 88 Ca 0.08 -1.10 -0.18 0.00 -1.01 0.00 0.00 57.07 54.85 2cbc s TYR 88 Cb -0.12 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2cbc s TYR 88 CO 0.02 -0.50 0.49 1.03 -1.11 0.00 0.00 175.55 175.48 2cbc s ARG 89 N 0.69 4.32 0.19 -0.62 0.52 -0.58 -0.14 118.95 123.33 2cbc s ARG 89 Ca -0.11 0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 2cbc s ARG 89 Cb -0.16 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.80 2cbc s ARG 89 CO 0.02 0.20 1.44 -1.17 0.02 0.00 0.00 175.30 175.81 2cbc s LEU 90 N 0.48 4.38 -0.05 2.53 2.96 -0.22 -1.33 118.68 127.44 2cbc s LEU 90 Ca 0.27 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2cbc s LEU 90 Cb -0.15 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 2cbc s LEU 90 CO 0.11 -0.69 -0.05 0.00 -1.32 0.00 0.00 176.35 174.41 2cbc n ILE 91 N 3.10 0.29 -3.52 6.68 3.06 -0.36 -4.55 119.36 124.05 2cbc n ILE 91 Ca 0.09 -0.11 -0.10 0.00 -2.50 0.00 0.00 62.75 60.13 2cbc n ILE 91 Cb 0.41 -0.73 -0.02 0.00 0.54 0.00 0.00 39.64 39.84 2cbc n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2cbc s GLN 92 N -2.10 1.26 0.14 9.51 1.03 -1.22 -1.28 119.66 126.99 2cbc s GLN 92 Ca -0.07 -0.52 0.05 0.00 0.04 0.00 0.00 55.36 54.86 2cbc s GLN 92 Cb 0.02 0.54 -0.04 0.00 0.03 0.00 0.00 33.01 33.56 2cbc s GLN 92 CO 0.11 -0.56 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.60 2cbc s PHE 93 N -3.62 1.33 0.20 9.60 -0.12 -0.74 -0.87 117.98 123.76 2cbc s PHE 93 Ca 0.04 -0.65 -0.23 0.00 -0.05 0.00 0.00 56.93 56.04 2cbc s PHE 93 Cb -0.02 -0.68 0.05 0.00 -0.63 0.00 0.00 43.02 41.74 2cbc s PHE 93 CO -0.08 0.12 0.80 -3.38 -0.05 0.00 0.00 175.22 172.63 2cbc s HIS 94 N -2.71 -0.22 0.28 3.49 -3.43 -0.77 -1.22 115.29 110.72 2cbc s HIS 94 Ca 0.13 -0.13 0.09 0.00 -0.80 0.00 0.00 55.06 54.35 2cbc s HIS 94 Cb -0.01 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2cbc s HIS 94 CO 0.02 -1.00 -0.13 -0.06 -2.00 0.00 0.00 174.74 171.57 2cbc s PHE 95 N -3.62 2.13 -0.04 0.38 0.40 -1.26 -0.71 117.98 115.27 2cbc s PHE 95 Ca 0.10 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2cbc s PHE 95 Cb -0.03 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.42 2cbc s PHE 95 CO 0.02 0.52 -0.13 -1.01 0.70 0.00 0.00 175.22 175.32 2cbc s HIS 96 N -2.73 1.33 0.26 0.36 3.76 -0.55 -4.73 115.29 112.99 2cbc s HIS 96 Ca 0.29 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 2cbc s HIS 96 Cb -0.00 -0.92 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 2cbc s HIS 96 CO 0.13 -0.14 0.42 1.67 -0.85 0.00 0.00 174.74 175.97 2cbc s TRP 97 N 0.16 0.62 0.55 1.40 -2.14 -1.22 -0.83 118.94 117.47 2cbc s TRP 97 Ca -0.04 -0.94 0.06 0.00 2.66 0.00 0.00 56.10 57.84 2cbc s TRP 97 Cb -0.10 0.02 0.04 0.00 -3.10 0.00 0.00 33.47 30.33 2cbc s TRP 97 CO 0.01 -0.96 0.43 0.20 -2.66 0.00 0.00 176.95 173.97 2cbc s GLY 98 N -3.08 2.33 0.05 3.67 0.00 -1.18 -1.22 107.32 107.90 2cbc s GLY 98 Ca 0.27 -1.30 0.25 0.00 0.00 0.00 0.00 44.72 43.94 2cbc s GLY 98 CO 0.11 -1.93 1.49 -1.14 0.00 0.00 0.00 173.10 171.64 2cbc n SER 99 N -1.80 0.50 -4.08 1.64 3.41 -1.26 -4.32 113.62 107.71 2cbc n SER 99 Ca -0.01 0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 2cbc n SER 99 Cb 0.64 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 2cbc n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2cbc s LEU 100 N -3.52 2.44 0.53 1.04 1.43 -1.26 -5.06 118.68 114.28 2cbc s LEU 100 Ca 0.10 -0.89 0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2cbc s LEU 100 Cb 0.16 0.13 1.49 0.00 0.03 0.00 0.00 46.19 47.99 2cbc s LEU 100 CO 0.67 -0.51 2.06 0.44 0.23 0.00 0.00 176.35 179.24 2cbc h ASP 101 N 3.45 0.00 -0.07 2.29 3.32 -1.92 -2.87 116.42 120.61 2cbc h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2cbc h ASP 101 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2cbc h ASP 101 CO 0.60 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 2cbc n GLY 102 N -0.49 -0.61 3.42 2.75 0.00 -1.26 -3.64 105.19 105.36 2cbc n GLY 102 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2cbc n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cbc s GLN 103 N -1.90 1.23 0.00 1.61 -2.07 -1.09 -4.69 119.66 112.75 2cbc s GLN 103 Ca 0.14 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 2cbc s GLN 103 Cb 0.07 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 2cbc s GLN 103 CO 0.11 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 2cbc n GLY 104 N -0.28 2.02 3.79 2.60 0.00 -1.12 -3.12 105.19 109.08 2cbc n GLY 104 Ca -0.12 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2cbc n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cbc s SER 105 N 0.00 4.88 -0.20 1.61 1.04 -0.73 -3.42 113.70 116.87 2cbc s SER 105 Ca 0.00 1.65 -0.16 0.00 0.48 0.00 0.00 55.95 57.92 2cbc s SER 105 Cb 0.00 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 2cbc s SER 105 CO 0.00 -1.77 -0.25 -0.62 0.98 0.00 0.00 173.24 171.58 2cbc n GLU 106 N -3.34 0.53 -2.38 4.02 1.02 -1.26 -4.83 120.64 114.40 2cbc n GLU 106 Ca 0.08 0.33 -0.33 0.00 -0.02 0.00 0.00 57.16 57.22 2cbc n GLU 106 Cb 0.54 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 2cbc n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2cbc s HIS 107 N -2.60 3.14 0.16 -0.32 3.76 -1.26 -4.43 115.29 113.74 2cbc s HIS 107 Ca -0.29 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 56.22 2cbc s HIS 107 Cb 0.07 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 2cbc s HIS 107 CO 0.42 -0.73 -0.15 0.95 -0.85 0.00 0.00 174.74 174.39 2cbc s THR 108 N -2.32 1.56 -0.21 1.30 -4.23 -1.19 -4.68 115.64 105.88 2cbc s THR 108 Ca 0.63 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2cbc s THR 108 Cb -0.14 -1.82 0.05 0.00 1.34 0.00 0.00 72.50 71.93 2cbc s THR 108 CO 0.27 -0.50 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.07 2cbc s VAL 109 N -2.55 1.67 -1.55 2.29 1.01 -0.66 -0.56 120.40 120.06 2cbc s VAL 109 Ca 0.16 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 2cbc s VAL 109 Cb -0.03 -1.78 0.09 0.00 0.00 0.00 0.00 36.38 34.66 2cbc s VAL 109 CO 0.05 0.11 0.97 0.47 0.00 0.00 0.00 175.10 176.70 2cbc n ASP 110 N 4.66 -4.69 0.00 3.32 8.00 0.18 -0.85 116.55 127.16 2cbc n ASP 110 Ca -0.14 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.56 2cbc n ASP 110 Cb 0.46 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 2cbc n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cbc n LYS 111 N -4.67 -0.18 -2.67 -1.24 4.76 -1.26 -5.00 118.16 107.89 2cbc n LYS 111 Ca 0.04 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2cbc n LYS 111 Cb 0.52 -3.29 -0.03 0.00 -1.84 0.00 0.00 35.03 30.39 2cbc n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2cbc s LYS 112 N -0.42 4.55 -0.15 1.97 2.20 -0.03 -4.99 119.74 122.87 2cbc s LYS 112 Ca 0.00 1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 57.01 2cbc s LYS 112 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2cbc s LYS 112 CO 0.00 -0.07 0.11 0.15 -0.36 0.00 0.00 175.35 175.18 2cbc s LYS 113 N 0.98 3.69 0.48 4.03 1.02 -1.26 -1.65 119.74 127.03 2cbc s LYS 113 Ca 0.53 -0.21 0.07 0.00 0.02 0.00 0.00 55.97 56.38 2cbc s LYS 113 Cb -0.22 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2cbc s LYS 113 CO 0.28 0.56 0.66 0.71 -0.92 0.00 0.00 175.35 176.64 2cbc s TYR 114 N -0.41 2.46 0.22 3.18 2.02 -1.26 -4.66 117.35 118.89 2cbc s TYR 114 Ca 0.11 -0.43 0.16 0.00 -0.37 0.00 0.00 57.07 56.55 2cbc s TYR 114 Cb -0.12 -2.40 0.62 0.00 -0.40 0.00 0.00 41.96 39.66 2cbc s TYR 114 CO 0.02 -0.68 1.72 0.00 -1.57 0.00 0.00 175.55 175.04 2cbc h ALA 115 N 0.43 1.04 -2.75 3.71 0.00 -1.42 -1.91 119.26 118.36 2cbc h ALA 115 Ca -0.38 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.25 2cbc h ALA 115 Cb 1.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2cbc h ALA 115 CO 0.45 0.54 0.33 0.00 0.00 0.00 0.00 179.25 180.57 2cbc s ALA 116 N -3.68 -1.35 -0.06 0.00 0.00 -1.15 -3.24 121.76 112.28 2cbc s ALA 116 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2cbc s ALA 116 Cb 0.12 0.76 0.03 0.00 0.00 0.00 0.00 23.12 24.03 2cbc s ALA 116 CO 0.71 -1.04 0.14 -2.00 0.00 0.00 0.00 175.76 173.57 2cbc s GLU 117 N -3.53 0.11 -0.15 0.00 2.12 -0.01 -1.12 118.70 116.11 2cbc s GLU 117 Ca 0.12 0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.65 2cbc s GLU 117 Cb -0.04 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 2cbc s GLU 117 CO 0.06 -0.13 0.25 -1.17 -0.54 0.00 0.00 175.26 173.73 2cbc s LEU 118 N 0.91 4.27 -0.21 2.70 2.96 0.74 -1.48 118.68 128.56 2cbc s LEU 118 Ca -0.07 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2cbc s LEU 118 Cb -0.09 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.32 2cbc s LEU 118 CO -0.04 0.16 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.01 2cbc s HIS 119 N 0.20 2.92 -0.41 5.38 3.76 0.12 -0.82 115.29 126.44 2cbc s HIS 119 Ca 0.15 -1.60 -0.16 0.00 -0.15 0.00 0.00 55.06 53.30 2cbc s HIS 119 Cb -0.13 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.60 2cbc s HIS 119 CO 0.03 -0.76 0.38 -0.51 -0.85 0.00 0.00 174.74 173.03 2cbc s LEU 120 N 1.30 4.87 -0.14 0.89 1.43 -0.57 -1.84 118.68 124.62 2cbc s LEU 120 Ca 0.03 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 2cbc s LEU 120 Cb -0.15 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2cbc s LEU 120 CO -0.09 -0.50 0.47 -0.69 0.23 0.00 0.00 176.35 175.77 2cbc s VAL 121 N 1.97 5.18 0.11 -1.59 1.01 -0.05 -1.02 120.40 126.00 2cbc s VAL 121 Ca 0.10 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2cbc s VAL 121 Cb -0.18 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2cbc s VAL 121 CO 0.12 0.29 -0.18 -1.00 0.00 0.00 0.00 175.10 174.33 2cbc s HIS 122 N 0.88 1.62 0.06 5.22 3.76 -0.07 -1.22 115.29 125.53 2cbc s HIS 122 Ca 0.25 -0.45 0.09 0.00 -0.15 0.00 0.00 55.06 54.79 2cbc s HIS 122 Cb -0.15 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.64 2cbc s HIS 122 CO 0.10 0.18 -0.24 1.67 -0.85 0.00 0.00 174.74 175.60 2cbc s TRP 123 N -1.44 2.07 -0.19 1.40 1.48 -0.44 -1.16 118.94 120.66 2cbc s TRP 123 Ca 0.06 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.42 2cbc s TRP 123 Cb -0.09 -1.21 -0.03 0.00 -1.16 0.00 0.00 33.47 30.98 2cbc s TRP 123 CO 0.04 0.15 1.65 1.21 -4.06 0.00 0.00 176.95 175.94 2cbc s ASN 124 N -1.41 6.40 0.56 -2.66 3.84 0.32 -1.52 114.94 120.46 2cbc s ASN 124 Ca 0.10 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.18 2cbc s ASN 124 Cb -0.10 -2.53 1.64 0.00 -0.55 0.00 0.00 41.25 39.71 2cbc s ASN 124 CO 0.03 -1.22 2.19 0.71 -2.79 0.00 0.00 177.10 176.01 2cbc h THR 125 N 6.08 0.62 -0.08 -5.21 1.35 -1.60 -2.09 112.91 111.99 2cbc h THR 125 Ca -0.35 -0.16 0.02 0.00 -0.55 0.00 0.00 66.41 65.37 2cbc h THR 125 Cb 1.16 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2cbc h THR 125 CO 0.99 0.04 0.11 0.07 -0.25 0.00 0.00 175.52 176.48 2cbc h LYS 127 N 0.00 0.00 -0.01 4.72 2.10 -1.91 -1.45 116.57 120.03 2cbc h LYS 127 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cbc h LYS 127 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2cbc h LYS 127 CO 0.01 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.06 2cbc n TYR 128 N -3.65 0.00 0.00 0.07 4.01 -0.78 -4.98 117.16 111.83 2cbc n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2cbc n TYR 128 Cb 0.20 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2cbc n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cbc n GLY 129 N 1.18 0.87 3.57 2.72 0.00 -0.55 -4.56 105.19 108.42 2cbc n GLY 129 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2cbc n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cbc s ASP 130 N 0.00 -0.22 0.10 1.61 1.47 -1.26 -5.06 116.67 113.31 2cbc s ASP 130 Ca 0.00 -0.59 -0.23 0.00 1.18 0.00 0.00 52.55 52.91 2cbc s ASP 130 Cb 0.00 0.60 -0.11 0.00 -0.34 0.00 0.00 42.92 43.07 2cbc s ASP 130 CO 0.00 -1.11 1.71 0.15 0.68 0.00 0.00 175.17 176.60 2cbc h PHE 131 N 2.19 -0.17 -0.15 2.11 3.57 -1.94 -2.00 116.94 120.55 2cbc h PHE 131 Ca -0.27 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.26 2cbc h PHE 131 Cb 1.26 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2cbc h PHE 131 CO 0.37 -0.11 0.10 0.78 -2.23 0.00 0.00 178.31 177.23 2cbc h GLY 132 N -0.12 0.08 1.18 2.40 0.00 -1.97 -2.00 103.07 102.64 2cbc h GLY 132 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2cbc h GLY 132 CO -0.07 0.02 -1.56 0.50 0.00 0.00 0.00 176.54 175.44 2cbc h LYS 133 N 0.07 0.43 -0.87 4.80 1.79 -1.77 -3.32 116.57 117.70 2cbc h LYS 133 Ca 0.07 -0.73 0.10 0.00 -2.18 0.00 0.00 60.65 57.91 2cbc h LYS 133 Cb 0.17 0.27 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 2cbc h LYS 133 CO -0.01 1.33 0.56 0.00 -1.08 0.00 0.00 179.45 180.26 2cbc h ALA 134 N 0.23 1.68 0.00 3.86 0.00 -0.67 -1.69 119.26 122.67 2cbc h ALA 134 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2cbc h ALA 134 Cb 2.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2cbc h ALA 134 CO 0.22 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.93 2cbc n VAL 135 N -4.53 0.00 -0.24 0.00 0.24 -0.87 -2.28 118.33 110.65 2cbc n VAL 135 Ca 0.15 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.52 2cbc n VAL 135 Cb 0.33 -0.34 0.20 0.00 -1.47 0.00 0.00 33.84 32.56 2cbc n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2cbc n GLN 136 N -0.71 2.84 -4.73 7.34 1.13 -0.64 -4.92 117.38 117.69 2cbc n GLN 136 Ca 0.08 -2.23 -0.26 0.00 -1.94 0.00 0.00 57.00 52.64 2cbc n GLN 136 Cb 0.03 -1.36 -0.14 0.00 0.11 0.00 0.00 30.24 28.88 2cbc n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2cbc s GLN 137 N -1.02 1.44 0.56 -1.09 -1.52 -0.97 -5.03 119.66 112.03 2cbc s GLN 137 Ca 0.31 -0.87 0.28 0.00 -1.95 0.00 0.00 55.36 53.13 2cbc s GLN 137 Cb 0.16 -1.50 1.64 0.00 -0.22 0.00 0.00 33.01 33.08 2cbc s GLN 137 CO 0.21 0.39 2.17 -1.00 -0.25 0.00 0.00 175.29 176.81 2cbc h PRO 138 N 5.10 0.00 -0.25 2.91 0.13 -1.86 -2.02 132.00 136.01 2cbc h PRO 138 Ca -0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 2cbc h PRO 138 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2cbc h PRO 138 CO 0.45 0.06 -0.36 -0.40 -0.23 0.00 0.00 178.00 177.51 2cbc n ASP 139 N -3.76 2.56 0.06 1.44 5.75 -1.26 -4.32 116.55 117.02 2cbc n ASP 139 Ca -0.02 -3.85 -0.07 0.00 -0.01 0.00 0.00 54.79 50.84 2cbc n ASP 139 Cb 0.16 -0.55 0.10 0.00 -1.03 0.00 0.00 41.12 39.79 2cbc n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2cbc h GLY 140 N 1.19 0.37 -3.49 6.12 0.00 -1.21 -3.43 103.07 102.62 2cbc h GLY 140 Ca 0.15 -0.46 -0.45 0.00 0.00 0.00 0.00 47.33 46.56 2cbc h GLY 140 CO 0.28 0.41 -0.77 1.08 0.00 0.00 0.00 176.54 177.55 2cbc s LEU 141 N -8.05 2.42 -0.08 3.11 1.43 -0.16 -0.52 118.68 116.82 2cbc s LEU 141 Ca -0.05 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2cbc s LEU 141 Cb 0.12 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.70 2cbc s LEU 141 CO 0.81 -0.11 -0.09 0.00 0.23 0.00 0.00 176.35 177.20 2cbc s ALA 142 N -2.11 1.20 -0.13 4.21 0.00 -0.31 -0.53 121.76 124.10 2cbc s ALA 142 Ca 0.11 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2cbc s ALA 142 Cb -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 2cbc s ALA 142 CO 0.04 -0.13 -0.19 0.08 0.00 0.00 0.00 175.76 175.56 2cbc s VAL 143 N 1.15 2.39 -0.25 0.00 1.01 -0.68 -0.90 120.40 123.13 2cbc s VAL 143 Ca -0.06 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 2cbc s VAL 143 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2cbc s VAL 143 CO -0.02 0.54 0.57 -0.22 0.00 0.00 0.00 175.10 175.97 2cbc s LEU 144 N 0.53 4.07 -0.09 3.92 2.96 -0.19 -1.00 118.68 128.88 2cbc s LEU 144 Ca -0.12 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2cbc s LEU 144 Cb -0.17 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2cbc s LEU 144 CO 0.04 -0.30 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.87 2cbc s GLY 145 N 1.44 1.68 -0.06 7.98 0.00 0.16 -1.52 107.32 117.00 2cbc s GLY 145 Ca 0.24 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.09 2cbc s GLY 145 CO 0.09 -0.51 -0.08 -0.42 0.00 0.00 0.00 173.10 172.18 2cbc s ILE 146 N -0.48 0.82 0.29 0.90 1.01 0.00 -1.12 121.20 122.63 2cbc s ILE 146 Ca 0.07 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2cbc s ILE 146 Cb -0.12 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 2cbc s ILE 146 CO 0.02 0.29 0.79 -0.36 0.00 0.00 0.00 174.94 175.69 2cbc s PHE 147 N 0.92 3.53 -0.10 3.97 0.08 -1.26 -0.19 117.98 124.93 2cbc s PHE 147 Ca -0.11 1.43 0.02 0.00 0.12 0.00 0.00 56.93 58.39 2cbc s PHE 147 Cb -0.15 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.61 2cbc s PHE 147 CO 0.01 0.19 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.65 2cbc s LEU 148 N -2.44 2.58 0.19 -0.37 1.02 -0.27 -0.69 118.68 118.70 2cbc s LEU 148 Ca 0.50 -0.34 0.10 0.00 0.02 0.00 0.00 54.13 54.41 2cbc s LEU 148 Cb -0.14 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2cbc s LEU 148 CO 0.19 0.22 -0.17 -1.59 0.02 0.00 0.00 176.35 175.02 2cbc s LYS 149 N 0.04 1.79 -0.11 1.70 -2.85 -0.19 -1.81 119.74 118.31 2cbc s LYS 149 Ca -0.06 -1.42 -0.23 0.00 -1.00 0.00 0.00 55.97 53.26 2cbc s LYS 149 Cb -0.15 -1.99 -0.03 0.00 -2.06 0.00 0.00 37.83 33.60 2cbc s LYS 149 CO 0.05 0.41 0.72 0.08 0.10 0.00 0.00 175.35 176.71 2cbc s VAL 150 N -1.75 5.01 0.00 1.79 1.01 -1.26 -1.50 120.40 123.70 2cbc s VAL 150 Ca 0.23 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2cbc s VAL 150 Cb -0.08 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2cbc s VAL 150 CO 0.13 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2cbc n GLY 151 N 3.28 0.89 3.81 4.51 0.00 0.14 -4.89 105.19 112.94 2cbc n GLY 151 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2cbc n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cbc s SER 152 N 2.00 6.49 0.64 1.61 0.01 -1.26 -4.04 113.70 119.15 2cbc s SER 152 Ca 0.00 1.79 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 2cbc s SER 152 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2cbc s SER 152 CO 0.00 -0.68 1.19 0.00 0.41 0.00 0.00 173.24 174.16 2cbc s ALA 153 N -2.20 2.43 -0.37 1.44 0.00 -1.26 -2.12 121.76 119.69 2cbc s ALA 153 Ca 0.64 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 2cbc s ALA 153 Cb -0.13 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2cbc s ALA 153 CO 0.22 -1.34 0.16 0.21 0.00 0.00 0.00 175.76 175.00 2cbc s LYS 154 N -3.60 2.59 0.18 0.00 2.47 -1.25 -4.79 119.74 115.34 2cbc s LYS 154 Ca 0.75 -1.28 -0.16 0.00 -1.56 0.00 0.00 55.97 53.71 2cbc s LYS 154 Cb -0.28 -3.57 0.14 0.00 -1.46 0.00 0.00 37.83 32.66 2cbc s LYS 154 CO 0.37 -0.77 1.65 -1.35 0.16 0.00 0.00 175.35 175.41 2cbc h PRO 155 N 8.27 -0.02 0.00 4.03 0.11 -1.92 -1.11 132.00 141.36 2cbc h PRO 155 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2cbc h PRO 155 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2cbc h PRO 155 CO 0.65 -0.01 0.09 0.78 -0.21 0.00 0.00 178.00 179.30 2cbc h GLY 156 N -0.02 0.00 0.71 -0.55 0.00 -1.95 -1.44 103.07 99.82 2cbc h GLY 156 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2cbc h GLY 156 CO -0.50 0.00 -1.25 -0.10 0.00 0.00 0.00 176.54 174.69 2cbc n LEU 157 N -2.49 0.61 -0.27 3.11 7.94 -0.43 -4.44 117.00 121.04 2cbc n LEU 157 Ca -0.02 0.22 0.11 0.00 -1.11 0.00 0.00 56.01 55.21 2cbc n LEU 157 Cb 0.13 -0.05 0.37 0.00 0.53 0.00 0.00 43.42 44.40 2cbc n LEU 157 CO 0.12 -0.12 1.22 -0.61 -1.11 0.00 0.00 177.39 176.89 2cbc h GLN 158 N 0.00 0.69 -0.00 1.96 5.75 -1.23 0.12 115.11 122.40 2cbc h GLN 158 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2cbc h GLN 158 Cb 0.97 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 2cbc h GLN 158 CO 0.00 0.46 -0.09 0.87 -2.65 0.00 0.00 178.83 177.42 2cbc h LYS 159 N 0.71 0.00 -0.02 1.69 1.57 -1.78 -1.27 116.57 117.48 2cbc h LYS 159 Ca 0.45 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.09 2cbc h LYS 159 Cb 0.69 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 2cbc h LYS 159 CO -0.21 0.09 -0.50 0.28 -0.57 0.00 0.00 179.45 178.55 2cbc h VAL 160 N 0.00 1.44 -0.63 0.50 2.07 -1.06 -3.20 116.25 115.36 2cbc h VAL 160 Ca -0.00 -1.98 0.10 0.00 0.82 0.00 0.00 66.70 65.64 2cbc h VAL 160 Cb 0.16 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 2cbc h VAL 160 CO 0.01 0.57 0.23 0.58 0.02 0.00 0.00 177.57 178.98 2cbc h VAL 161 N -0.14 0.74 -0.07 2.57 2.07 -0.97 -2.74 116.25 117.70 2cbc h VAL 161 Ca -0.06 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2cbc h VAL 161 Cb 1.20 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2cbc h VAL 161 CO 0.10 0.07 -0.14 0.44 0.02 0.00 0.00 177.57 178.06 2cbc h ASP 162 N 0.40 0.10 0.56 0.57 3.32 -1.25 -2.89 116.42 117.22 2cbc h ASP 162 Ca 0.33 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2cbc h ASP 162 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2cbc h ASP 162 CO -0.33 0.25 -0.30 0.55 -1.72 0.00 0.00 179.24 177.69 2cbc n VAL 163 N -4.32 0.00 -0.34 -1.35 3.14 -1.04 -4.31 118.33 110.12 2cbc n VAL 163 Ca -0.02 -0.02 0.09 0.00 -2.96 0.00 0.00 64.34 61.43 2cbc n VAL 163 Cb 0.24 0.05 0.28 0.00 -1.06 0.00 0.00 33.84 33.35 2cbc n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cbc h LEU 164 N 0.23 0.85 -1.63 6.55 3.38 -1.50 -2.09 115.31 121.10 2cbc h LEU 164 Ca 0.00 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2cbc h LEU 164 Cb 0.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2cbc h LEU 164 CO 0.00 0.44 0.48 0.44 0.09 0.00 0.00 178.44 179.89 2cbc h ASP 165 N 0.91 0.35 0.89 -0.43 3.32 -1.80 -1.10 116.42 118.57 2cbc h ASP 165 Ca 0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2cbc h ASP 165 Cb 0.57 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2cbc h ASP 165 CO -0.25 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 175.91 2cbc n SER 166 N -4.47 0.00 -2.48 6.45 3.41 -0.78 -3.71 113.62 112.03 2cbc n SER 166 Ca 0.13 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 59.00 2cbc n SER 166 Cb 0.51 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2cbc n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2cbc n ILE 167 N -1.46 1.81 -0.34 -1.33 -5.35 -0.43 -4.70 119.36 107.55 2cbc n ILE 167 Ca 0.08 -3.60 0.01 0.00 -0.27 0.00 0.00 62.75 58.97 2cbc n ILE 167 Cb 0.31 0.10 0.17 0.00 -1.74 0.00 0.00 39.64 38.48 2cbc n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2cbc h LYS 168 N 2.49 1.18 -6.28 6.28 3.64 -1.61 -3.42 116.57 118.85 2cbc h LYS 168 Ca 0.09 -0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 58.82 2cbc h LYS 168 Cb 1.33 -0.27 -0.10 0.00 -0.41 0.00 0.00 32.23 32.78 2cbc h LYS 168 CO 0.49 0.78 -0.66 0.95 -2.27 0.00 0.00 179.45 178.74 2cbc s THR 169 N -6.03 3.52 0.19 1.00 -4.23 -1.26 -0.48 115.64 108.36 2cbc s THR 169 Ca -0.12 -1.71 -0.33 0.00 -1.18 0.00 0.00 61.69 58.35 2cbc s THR 169 Cb 0.19 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 71.06 2cbc s THR 169 CO 0.81 -0.26 1.48 1.17 -0.54 0.00 0.00 174.62 177.29 2cbc n LYS 170 N -0.54 2.02 0.00 3.99 4.81 -0.05 -2.05 118.16 126.34 2cbc n LYS 170 Ca -0.08 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2cbc n LYS 170 Cb 0.57 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.19 2cbc n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cbc n GLY 171 N 2.79 2.79 3.77 3.14 0.00 -0.49 -4.46 105.19 112.73 2cbc n GLY 171 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2cbc n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cbc s LYS 172 N -0.85 4.35 0.08 1.61 1.02 -0.87 -4.86 119.74 120.22 2cbc s LYS 172 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.58 2cbc s LYS 172 Cb 0.00 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2cbc s LYS 172 CO 0.00 0.01 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.86 2cbc s SER 173 N -1.35 0.79 -0.05 2.83 1.04 -1.26 -1.08 113.70 114.62 2cbc s SER 173 Ca 0.53 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 2cbc s SER 173 Cb -0.25 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2cbc s SER 173 CO 0.32 -0.55 0.18 0.00 0.98 0.00 0.00 173.24 174.16 2cbc s ALA 174 N -3.79 -0.44 0.43 5.32 0.00 -0.49 -4.93 121.76 117.87 2cbc s ALA 174 Ca 0.11 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 2cbc s ALA 174 Cb 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2cbc s ALA 174 CO -0.06 -0.12 1.41 -0.25 0.00 0.00 0.00 175.76 176.73 2cbc n ASP 175 N 2.54 3.24 -2.96 0.00 8.00 -1.26 -0.92 116.55 125.19 2cbc n ASP 175 Ca -0.15 1.14 -0.15 0.00 0.71 0.00 0.00 54.79 56.34 2cbc n ASP 175 Cb 0.58 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.08 2cbc n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2cbc n PHE 176 N -0.08 -2.15 -3.59 1.24 7.35 -0.10 -4.70 117.46 115.42 2cbc n PHE 176 Ca 0.05 -2.48 -0.25 0.00 -0.76 0.00 0.00 57.45 54.01 2cbc n PHE 176 Cb 0.40 0.77 -0.02 0.00 0.35 0.00 0.00 39.48 40.98 2cbc n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2cbc s THR 177 N 0.00 5.16 -1.59 -2.13 -4.23 -1.26 -2.66 115.64 108.94 2cbc s THR 177 Ca 0.33 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2cbc s THR 177 Cb 0.16 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2cbc s THR 177 CO -0.17 -0.37 0.11 0.59 -0.54 0.00 0.00 174.62 174.24 2cbc n ASN 178 N -1.28 -5.55 -4.79 3.99 4.13 -1.26 -4.97 115.26 105.53 2cbc n ASN 178 Ca -0.05 -0.07 -0.38 0.00 1.68 0.00 0.00 54.58 55.76 2cbc n ASN 178 Cb 0.55 -4.56 -0.06 0.00 -1.54 0.00 0.00 39.78 34.18 2cbc n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2cbc s PHE 179 N -2.99 3.68 -0.35 3.10 5.36 -1.26 -5.01 117.98 120.52 2cbc s PHE 179 Ca 0.06 1.06 -0.08 0.00 -0.96 0.00 0.00 56.93 57.00 2cbc s PHE 179 Cb -0.02 -2.45 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 2cbc s PHE 179 CO 0.07 0.46 0.15 0.34 -1.46 0.00 0.00 175.22 174.78 2cbc s ASP 180 N -0.51 5.48 0.14 6.13 -1.08 -1.26 -4.39 116.67 121.18 2cbc s ASP 180 Ca 0.27 -1.01 0.19 0.00 -0.52 0.00 0.00 52.55 51.48 2cbc s ASP 180 Cb -0.17 -1.94 0.81 0.00 -1.46 0.00 0.00 42.92 40.16 2cbc s ASP 180 CO 0.14 -0.33 1.59 -0.81 0.52 0.00 0.00 175.17 176.28 2cbc n PRO 181 N 4.90 0.10 0.30 4.34 -0.04 -1.26 -2.40 135.00 140.94 2cbc n PRO 181 Ca -0.12 0.35 0.16 0.00 -0.04 0.00 0.00 63.50 63.85 2cbc n PRO 181 Cb 0.46 -1.70 0.94 0.00 -0.04 0.00 0.00 33.50 33.15 2cbc n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cbc h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -0.51 114.38 115.56 2cbc h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cbc h ARG 182 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2cbc h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2cbc n GLY 183 N -1.10 -0.97 0.66 0.04 0.00 -1.01 -2.77 105.19 100.04 2cbc n GLY 183 Ca -0.03 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2cbc n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cbc n LEU 184 N -1.21 2.36 -4.81 0.99 4.77 -0.20 -4.38 117.00 114.52 2cbc n LEU 184 Ca 0.13 -0.85 -0.37 0.00 -0.03 0.00 0.00 56.01 54.89 2cbc n LEU 184 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2cbc n LEU 184 CO 0.16 0.42 0.42 -0.76 -1.33 0.00 0.00 177.39 176.30 2cbc s LEU 185 N -2.25 4.42 1.03 2.23 1.43 -1.11 -4.93 118.68 119.49 2cbc s LEU 185 Ca 0.21 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 54.61 2cbc s LEU 185 Cb 0.18 -3.45 0.21 0.00 0.03 0.00 0.00 46.19 43.16 2cbc s LEU 185 CO 0.46 0.10 1.15 -2.16 0.23 0.00 0.00 176.35 176.13 2cbc s PRO 186 N -1.70 0.14 0.13 1.29 0.04 -1.26 -4.97 135.00 128.66 2cbc s PRO 186 Ca 0.40 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.39 2cbc s PRO 186 Cb -0.18 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2cbc s PRO 186 CO 0.22 -2.84 1.51 1.49 0.04 0.00 0.00 177.00 177.43 2cbc h GLU 187 N -1.95 0.79 -5.96 4.56 4.81 -1.92 -3.44 114.58 111.47 2cbc h GLU 187 Ca -0.48 -0.33 -0.62 0.00 -0.13 0.00 0.00 59.36 57.80 2cbc h GLU 187 Cb 1.30 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 2cbc h GLU 187 CO 0.48 0.95 -0.33 0.45 -0.73 0.00 0.00 179.01 179.84 2cbc s SER 188 N -6.47 6.57 -0.20 1.04 0.15 -1.26 -5.01 113.70 108.53 2cbc s SER 188 Ca -0.12 0.68 0.16 0.00 0.70 0.00 0.00 55.95 57.36 2cbc s SER 188 Cb 0.10 -2.14 0.66 0.00 -1.71 0.00 0.00 66.02 62.93 2cbc s SER 188 CO 0.83 0.25 1.57 0.18 1.20 0.00 0.00 173.24 177.27 2cbc n LEU 189 N 1.22 4.69 -4.77 3.45 4.77 -1.26 -4.71 117.00 120.39 2cbc n LEU 189 Ca -0.11 -2.94 -0.40 0.00 -0.03 0.00 0.00 56.01 52.53 2cbc n LEU 189 Cb 0.53 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2cbc n LEU 189 CO 0.40 0.66 1.02 -1.81 -1.33 0.00 0.00 177.39 176.34 2cbc s ASP 190 N -1.39 6.42 0.24 -1.43 1.01 -1.26 -4.75 116.67 115.50 2cbc s ASP 190 Ca 0.47 2.80 -0.12 0.00 0.71 0.00 0.00 52.55 56.41 2cbc s ASP 190 Cb 0.37 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 2cbc s ASP 190 CO 0.13 -0.79 0.44 -0.72 0.21 0.00 0.00 175.17 174.44 2cbc s TYR 191 N -1.18 0.43 0.03 4.23 -0.85 -1.26 -1.52 117.35 117.24 2cbc s TYR 191 Ca 0.54 -0.78 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 2cbc s TYR 191 Cb -0.41 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 2cbc s TYR 191 CO 0.55 -0.96 -0.07 -1.58 -1.52 0.00 0.00 175.55 171.97 2cbc s TRP 192 N -4.03 2.85 0.01 -3.49 0.51 0.02 -0.65 118.94 114.15 2cbc s TRP 192 Ca 0.24 -0.08 0.01 0.00 -2.12 0.00 0.00 56.10 54.16 2cbc s TRP 192 Cb 0.00 -1.56 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2cbc s TRP 192 CO 0.09 0.39 -0.05 -0.08 -0.51 0.00 0.00 176.95 176.79 2cbc s THR 193 N -1.07 0.35 0.06 2.01 -1.32 -0.36 -0.38 115.64 114.93 2cbc s THR 193 Ca 0.19 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 59.94 2cbc s THR 193 Cb -0.11 -0.35 0.07 0.00 -1.51 0.00 0.00 72.50 70.60 2cbc s THR 193 CO 0.10 -0.08 0.64 -0.72 -2.21 0.00 0.00 174.62 172.35 2cbc s TYR 194 N -0.53 -0.59 -0.04 9.09 1.13 -1.12 -1.25 117.35 124.04 2cbc s TYR 194 Ca -0.03 0.69 -0.28 0.00 -1.41 0.00 0.00 57.07 56.05 2cbc s TYR 194 Cb -0.04 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 2cbc s TYR 194 CO -0.00 -0.74 0.88 -1.25 -2.51 0.00 0.00 175.55 171.93 2cbc s PRO 195 N -2.59 4.49 0.00 -3.49 0.04 -1.26 -1.05 135.00 131.15 2cbc s PRO 195 Ca -0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2cbc s PRO 195 Cb -0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2cbc s PRO 195 CO -0.03 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.37 2cbc n GLY 196 N 3.01 3.75 3.36 0.56 0.00 0.62 -4.84 105.19 111.66 2cbc n GLY 196 Ca 0.04 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 2cbc n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cbc s SER 197 N 1.78 1.73 0.64 1.61 1.04 -1.09 -2.27 113.70 117.14 2cbc s SER 197 Ca 0.00 -1.58 -0.17 0.00 0.48 0.00 0.00 55.95 54.68 2cbc s SER 197 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2cbc s SER 197 CO 0.00 -0.90 1.18 -0.76 0.98 0.00 0.00 173.24 173.75 2cbc s LEU 198 N -3.41 3.51 0.00 2.42 1.43 -0.48 -4.49 118.68 117.66 2cbc s LEU 198 Ca 0.34 2.29 0.24 0.00 -1.03 0.00 0.00 54.13 55.98 2cbc s LEU 198 Cb 0.05 -4.59 0.42 0.00 0.03 0.00 0.00 46.19 42.10 2cbc s LEU 198 CO 0.18 -1.78 1.39 0.35 0.23 0.00 0.00 176.35 176.72 2cbc n THR 199 N -2.07 0.18 -4.34 5.49 -2.24 -1.26 -4.40 114.28 105.63 2cbc n THR 199 Ca 0.13 -0.53 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 2cbc n THR 199 Cb 0.50 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 2cbc n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cbc s THR 200 N -1.82 1.79 0.41 4.28 -4.23 -1.26 -4.74 115.64 110.07 2cbc s THR 200 Ca 0.33 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.54 2cbc s THR 200 Cb 0.21 -1.93 -0.11 0.00 1.34 0.00 0.00 72.50 72.01 2cbc s THR 200 CO 0.31 -0.44 1.02 -2.65 -0.54 0.00 0.00 174.62 172.32 2cbc n PRO 201 N -0.01 1.38 0.00 3.99 -0.02 -1.26 -0.48 135.00 138.59 2cbc n PRO 201 Ca -0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2cbc n PRO 201 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2cbc n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2cbc n PRO 202 N 0.20 0.78 -2.54 0.52 -0.04 -1.26 -4.99 135.00 127.67 2cbc n PRO 202 Ca 0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2cbc n PRO 202 Cb 0.38 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2cbc n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cbc n LEU 203 N -0.50 -1.29 -4.71 1.53 4.77 0.37 -4.91 117.00 112.25 2cbc n LEU 203 Ca 0.00 0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2cbc n LEU 203 Cb 0.00 -2.23 -0.01 0.00 -2.33 0.00 0.00 43.42 38.85 2cbc n LEU 203 CO 0.00 -0.10 1.00 0.18 -1.33 0.00 0.00 177.39 177.15 2cbc n LEU 204 N -2.95 3.74 -3.69 2.23 4.77 -1.26 -4.41 117.00 115.44 2cbc n LEU 204 Ca -0.14 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.62 2cbc n LEU 204 Cb 0.61 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2cbc n LEU 204 CO 0.22 -0.31 1.70 -0.62 -1.33 0.00 0.00 177.39 177.05 2cbc n GLU 205 N 1.06 4.86 -0.07 3.23 1.02 -1.26 -1.38 120.64 128.09 2cbc n GLU 205 Ca 0.06 -4.20 0.02 0.00 -0.02 0.00 0.00 57.16 53.03 2cbc n GLU 205 Cb 0.36 -2.57 0.06 0.00 -0.02 0.00 0.00 31.44 29.27 2cbc n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cbc s VAL 207 N -1.05 5.44 -0.37 0.00 1.01 -0.96 -0.99 120.40 123.48 2cbc s VAL 207 Ca 0.10 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2cbc s VAL 207 Cb 0.05 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2cbc s VAL 207 CO 0.06 0.53 0.44 -0.89 0.00 0.00 0.00 175.10 175.24 2cbc s THR 208 N -0.35 5.09 0.06 3.92 2.01 0.31 -0.27 115.64 126.41 2cbc s THR 208 Ca 0.11 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 2cbc s THR 208 Cb -0.12 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 2cbc s THR 208 CO 0.01 -0.23 0.63 0.26 -0.69 0.00 0.00 174.62 174.61 2cbc s TRP 209 N 2.19 3.78 -0.26 4.92 0.52 -0.21 -1.68 118.94 128.20 2cbc s TRP 209 Ca 0.14 1.33 -0.01 0.00 0.02 0.00 0.00 56.10 57.59 2cbc s TRP 209 Cb -0.16 -2.60 0.08 0.00 -1.15 0.00 0.00 33.47 29.64 2cbc s TRP 209 CO 0.13 0.48 0.06 0.42 0.02 0.00 0.00 176.95 178.05 2cbc s ILE 210 N -0.76 0.90 -0.26 2.03 1.01 -0.17 -2.79 121.20 121.16 2cbc s ILE 210 Ca 0.32 -1.14 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2cbc s ILE 210 Cb -0.20 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2cbc s ILE 210 CO 0.20 -0.45 0.06 -0.69 0.00 0.00 0.00 174.94 174.06 2cbc s VAL 211 N 1.64 4.13 0.27 2.92 1.01 0.48 0.35 120.40 131.21 2cbc s VAL 211 Ca 0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2cbc s VAL 211 Cb -0.17 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2cbc s VAL 211 CO -0.17 0.27 1.05 -0.76 0.00 0.00 0.00 175.10 175.49 2cbc s LEU 212 N 1.57 4.56 0.17 3.92 1.43 -0.28 -0.80 118.68 129.25 2cbc s LEU 212 Ca 0.05 2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 55.22 2cbc s LEU 212 Cb -0.16 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.44 2cbc s LEU 212 CO 0.03 -0.07 1.58 0.50 0.23 0.00 0.00 176.35 178.62 2cbc h LYS 213 N 3.84 1.01 -5.58 1.70 3.64 -1.61 -3.43 116.57 116.14 2cbc h LYS 213 Ca -0.46 -0.40 -0.60 0.00 -1.27 0.00 0.00 60.65 57.92 2cbc h LYS 213 Cb 1.21 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 2cbc h LYS 213 CO 0.67 1.08 0.09 -2.00 -2.27 0.00 0.00 179.45 177.03 2cbc s GLU 214 N -4.77 4.17 0.64 1.90 2.12 -1.26 -5.02 118.70 116.49 2cbc s GLU 214 Ca -0.11 0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.65 2cbc s GLU 214 Cb 0.13 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2cbc s GLU 214 CO 0.87 -0.28 1.05 -1.25 -0.54 0.00 0.00 175.26 175.11 2cbc s PRO 215 N 2.05 3.39 0.12 4.30 0.05 -1.26 -4.68 135.00 138.96 2cbc s PRO 215 Ca 0.27 0.69 0.03 0.00 0.05 0.00 0.00 61.00 62.04 2cbc s PRO 215 Cb -0.16 -2.06 -0.04 0.00 0.05 0.00 0.00 34.50 32.29 2cbc s PRO 215 CO 0.10 -0.71 0.18 0.96 0.05 0.00 0.00 177.00 177.58 2cbc s ILE 216 N -3.21 4.92 0.04 0.56 -4.36 0.14 -4.89 121.20 114.40 2cbc s ILE 216 Ca 0.56 -0.76 -0.09 0.00 -0.26 0.00 0.00 60.65 60.10 2cbc s ILE 216 Cb -0.11 -3.47 -0.05 0.00 1.25 0.00 0.00 42.46 40.08 2cbc s ILE 216 CO 0.54 -0.00 0.35 -0.44 0.24 0.00 0.00 174.94 175.62 2cbc s SER 217 N -2.87 6.59 0.13 4.36 0.01 -1.26 -1.02 113.70 119.64 2cbc s SER 217 Ca 0.32 0.70 0.05 0.00 1.31 0.00 0.00 55.95 58.34 2cbc s SER 217 Cb -0.11 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2cbc s SER 217 CO 0.26 0.22 -0.12 0.68 0.41 0.00 0.00 173.24 174.68 2cbc s VAL 218 N -1.34 1.26 0.50 3.43 -7.23 -0.56 -3.81 120.40 112.65 2cbc s VAL 218 Ca 0.30 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 2cbc s VAL 218 Cb -0.14 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 2cbc s VAL 218 CO 0.17 -0.55 0.78 -0.94 -0.31 0.00 0.00 175.10 174.25 2cbc s SER 219 N -2.74 5.92 0.29 4.85 1.04 -1.13 0.27 113.70 122.20 2cbc s SER 219 Ca 0.12 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 2cbc s SER 219 Cb -0.02 -1.86 0.47 0.00 0.10 0.00 0.00 66.02 64.70 2cbc s SER 219 CO 0.02 -0.76 1.92 -1.28 0.98 0.00 0.00 173.24 174.12 2cbc h SER 220 N 0.17 0.96 0.34 7.02 0.87 -1.93 -0.44 113.55 120.54 2cbc h SER 220 Ca -0.46 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.97 2cbc h SER 220 Cb 1.24 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2cbc h SER 220 CO 0.60 0.64 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.70 2cbc h GLU 221 N 1.11 0.19 -0.13 2.24 3.07 -1.95 0.23 114.58 119.34 2cbc h GLU 221 Ca 0.38 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2cbc h GLU 221 Cb 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2cbc h GLU 221 CO -0.13 0.66 0.01 1.96 -1.40 0.00 0.00 179.01 180.11 2cbc h GLN 222 N 0.15 0.22 -0.66 2.33 4.20 -1.49 -3.02 115.11 116.84 2cbc h GLN 222 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2cbc h GLN 222 Cb 0.95 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 2cbc h GLN 222 CO 0.08 0.43 0.41 0.28 -0.67 0.00 0.00 178.83 179.36 2cbc h VAL 223 N -0.03 1.18 -1.00 -0.54 2.07 -1.12 -2.46 116.25 114.35 2cbc h VAL 223 Ca 0.04 -0.37 0.21 0.00 0.82 0.00 0.00 66.70 67.40 2cbc h VAL 223 Cb 0.33 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 2cbc h VAL 223 CO 0.00 0.18 0.61 -0.07 0.02 0.00 0.00 177.57 178.32 2cbc h LEU 224 N 0.89 0.70 -1.01 2.57 3.38 -0.94 -0.56 115.31 120.34 2cbc h LEU 224 Ca 0.24 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 2cbc h LEU 224 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2cbc h LEU 224 CO -0.05 0.20 -0.47 0.11 0.09 0.00 0.00 178.44 178.33 2cbc h LYS 225 N 0.65 0.00 -0.87 1.13 1.57 -1.31 -2.40 116.57 115.34 2cbc h LYS 225 Ca 0.59 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.36 2cbc h LYS 225 Cb 1.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2cbc h LYS 225 CO -0.38 0.47 0.48 0.74 -0.57 0.00 0.00 179.45 180.19 2cbc h PHE 226 N 0.00 1.18 0.00 -1.35 -1.00 -1.06 -2.67 116.94 112.04 2cbc h PHE 226 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2cbc h PHE 226 Cb 0.88 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2cbc h PHE 226 CO 0.00 0.81 0.00 0.54 -1.61 0.00 0.00 178.31 178.05 2cbc n ARG 227 N -4.34 0.41 0.00 1.51 1.74 -0.91 -2.49 116.66 112.58 2cbc n ARG 227 Ca 0.09 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 2cbc n ARG 227 Cb 0.09 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2cbc n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2cbc n LYS 228 N -1.06 0.47 -1.13 5.56 5.02 -1.00 -4.50 118.16 121.52 2cbc n LYS 228 Ca 0.10 -0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 55.72 2cbc n LYS 228 Cb 0.06 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 33.74 2cbc n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cbc s LEU 229 N -2.79 1.99 0.02 -0.35 1.43 -1.04 -4.85 118.68 113.08 2cbc s LEU 229 Ca 0.13 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 2cbc s LEU 229 Cb 0.17 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 2cbc s LEU 229 CO 0.73 -2.91 -0.22 0.20 0.23 0.00 0.00 176.35 174.39 2cbc s ASN 230 N -3.34 2.56 0.09 2.29 0.02 0.37 -0.34 114.94 116.59 2cbc s ASN 230 Ca 0.64 -0.47 -0.06 0.00 -1.02 0.00 0.00 52.86 51.95 2cbc s ASN 230 Cb -0.19 -0.25 -0.22 0.00 0.02 0.00 0.00 41.25 40.62 2cbc s ASN 230 CO 0.58 0.21 1.19 -0.26 0.02 0.00 0.00 177.10 178.84 2cbc h PHE 231 N 5.18 0.63 -4.22 2.20 0.04 -1.53 -3.36 116.94 115.88 2cbc h PHE 231 Ca -0.42 -0.41 -0.49 0.00 2.80 0.00 0.00 57.97 59.45 2cbc h PHE 231 Cb 1.15 -0.05 0.13 0.00 2.20 0.00 0.00 35.95 39.38 2cbc h PHE 231 CO 0.45 1.27 0.30 0.54 -0.60 0.00 0.00 178.31 180.28 2cbc s ASN 232 N -7.19 4.22 0.54 2.17 4.22 -1.26 -4.39 114.94 113.25 2cbc s ASN 232 Ca -0.06 1.52 -0.03 0.00 -2.14 0.00 0.00 52.86 52.16 2cbc s ASN 232 Cb 0.07 -2.24 0.01 0.00 1.28 0.00 0.00 41.25 40.37 2cbc s ASN 232 CO 0.89 -2.17 0.80 -0.83 -2.04 0.00 0.00 177.10 173.75 2cbc s GLY 233 N -3.60 1.63 0.38 0.45 0.00 -1.26 -0.87 107.32 104.04 2cbc s GLY 233 Ca 0.61 -0.94 -0.28 0.00 0.00 0.00 0.00 44.72 44.12 2cbc s GLY 233 CO 0.56 -0.69 1.49 1.85 0.00 0.00 0.00 173.10 176.31 2cbc s GLU 234 N -4.81 4.07 0.00 2.90 2.12 -1.26 -2.06 118.70 119.66 2cbc s GLU 234 Ca 0.53 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.44 2cbc s GLU 234 Cb -0.10 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2cbc s GLU 234 CO 0.41 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2cbc n GLY 235 N 0.44 0.44 3.73 -1.50 0.00 -1.26 -5.01 105.19 102.03 2cbc n GLY 235 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2cbc n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cbc s GLU 236 N -0.43 2.61 0.38 1.61 2.02 -0.87 -5.07 118.70 118.95 2cbc s GLU 236 Ca 0.00 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 2cbc s GLU 236 Cb 0.00 -2.40 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 2cbc s GLU 236 CO 0.00 0.41 1.50 -2.30 0.02 0.00 0.00 175.26 174.89 2cbc n PRO 237 N -0.78 2.70 -2.41 0.39 -0.02 -1.26 -4.87 135.00 128.75 2cbc n PRO 237 Ca -0.08 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 2cbc n PRO 237 Cb 0.57 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 2cbc n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2cbc s GLU 238 N -2.12 4.35 -0.25 -0.52 2.12 -1.26 -4.75 118.70 116.27 2cbc s GLU 238 Ca 0.53 1.75 -0.01 0.00 0.36 0.00 0.00 54.97 57.60 2cbc s GLU 238 Cb -0.47 -3.53 0.07 0.00 0.26 0.00 0.00 34.13 30.47 2cbc s GLU 238 CO 0.64 -0.44 0.03 -1.21 -0.54 0.00 0.00 175.26 173.74 2cbc s GLU 239 N 2.06 1.04 0.43 4.30 2.02 -1.26 -5.07 118.70 122.22 2cbc s GLU 239 Ca 0.58 -0.90 -0.26 0.00 0.02 0.00 0.00 54.97 54.41 2cbc s GLU 239 Cb -0.27 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 2cbc s GLU 239 CO 0.24 -0.75 1.39 -0.51 0.02 0.00 0.00 175.26 175.64 2cbc s LEU 240 N 1.57 4.17 -0.99 1.80 1.43 -1.26 -1.50 118.68 123.90 2cbc s LEU 240 Ca 0.02 2.83 -0.23 0.00 -1.03 0.00 0.00 54.13 55.72 2cbc s LEU 240 Cb -0.18 -3.90 0.06 0.00 0.03 0.00 0.00 46.19 42.21 2cbc s LEU 240 CO -0.13 -1.03 1.39 -0.32 0.23 0.00 0.00 176.35 176.49 2cbc s MET 241 N -2.34 3.57 0.04 1.70 -2.45 0.54 -4.64 119.30 115.72 2cbc s MET 241 Ca 0.59 -1.17 -0.01 0.00 -1.25 0.00 0.00 55.69 53.84 2cbc s MET 241 Cb -0.42 -5.22 -0.03 0.00 1.25 0.00 0.00 34.83 30.41 2cbc s MET 241 CO 0.54 -2.14 -0.01 0.14 1.05 0.00 0.00 175.02 174.60 2cbc s VAL 242 N 4.66 0.18 -1.28 10.11 -7.23 -1.26 -4.49 120.40 121.08 2cbc s VAL 242 Ca 0.43 -1.45 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2cbc s VAL 242 Cb -0.01 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 2cbc s VAL 242 CO -0.08 -0.80 0.76 0.47 -0.31 0.00 0.00 175.10 175.14 2cbc n ASP 243 N 0.63 -1.35 -2.86 4.85 8.00 -0.36 -4.86 116.55 120.61 2cbc n ASP 243 Ca -0.18 -0.78 -0.38 0.00 0.71 0.00 0.00 54.79 54.17 2cbc n ASP 243 Cb 0.59 -4.29 0.03 0.00 -0.02 0.00 0.00 41.12 37.42 2cbc n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2cbc n ASN 244 N -3.07 7.39 -4.31 -2.24 6.94 -1.12 -4.90 115.26 113.95 2cbc n ASN 244 Ca -0.30 -3.75 -0.26 0.00 -0.02 0.00 0.00 54.58 50.25 2cbc n ASN 244 Cb 0.68 -1.09 -0.13 0.00 -2.36 0.00 0.00 39.78 36.87 2cbc n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2cbc s TRP 245 N -3.75 1.99 -0.13 -2.53 1.48 -1.26 -4.60 118.94 110.14 2cbc s TRP 245 Ca 0.53 -0.40 -0.13 0.00 -1.06 0.00 0.00 56.10 55.04 2cbc s TRP 245 Cb 0.43 -1.11 -0.05 0.00 -1.16 0.00 0.00 33.47 31.58 2cbc s TRP 245 CO -0.39 0.21 0.29 0.50 -4.06 0.00 0.00 176.95 173.50 2cbc s ARG 246 N -1.74 4.10 0.84 3.25 3.52 -1.26 -4.97 118.95 122.69 2cbc s ARG 246 Ca 0.09 0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.70 2cbc s ARG 246 Cb -0.10 -3.36 0.10 0.00 -1.56 0.00 0.00 34.95 30.03 2cbc s ARG 246 CO 0.04 0.38 1.11 -1.25 -0.81 0.00 0.00 175.30 174.77 2cbc s PRO 247 N 0.03 1.65 0.33 5.12 0.05 -1.26 -4.67 135.00 136.25 2cbc s PRO 247 Ca 0.17 1.25 -0.29 0.00 0.05 0.00 0.00 61.00 62.19 2cbc s PRO 247 Cb -0.13 -1.82 -0.12 0.00 0.05 0.00 0.00 34.50 32.47 2cbc s PRO 247 CO 0.05 -2.09 1.43 0.00 0.05 0.00 0.00 177.00 176.44 2cbc n ALA 248 N -3.84 1.85 -2.79 8.56 0.00 -1.26 -4.41 120.51 118.63 2cbc n ALA 248 Ca 0.10 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 2cbc n ALA 248 Cb 0.53 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 2cbc n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2cbc s GLN 249 N -1.44 2.82 0.30 0.00 -1.52 0.12 -4.95 119.66 114.99 2cbc s GLN 249 Ca 0.58 -1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 52.68 2cbc s GLN 249 Cb -0.54 -2.55 -0.11 0.00 -0.22 0.00 0.00 33.01 29.60 2cbc s GLN 249 CO 0.58 0.43 1.51 -1.25 -0.25 0.00 0.00 175.29 176.32 2cbc s PRO 250 N -3.47 4.17 0.29 2.91 0.04 -1.26 -4.57 135.00 133.11 2cbc s PRO 250 Ca 0.32 2.48 0.02 0.00 0.04 0.00 0.00 61.00 63.86 2cbc s PRO 250 Cb -0.09 -3.04 0.45 0.00 0.04 0.00 0.00 34.50 31.86 2cbc s PRO 250 CO 0.23 -0.53 1.77 1.25 0.04 0.00 0.00 177.00 179.76 2cbc h LEU 251 N 4.42 0.52 0.00 -3.56 5.85 -1.94 -3.44 115.31 117.16 2cbc h LEU 251 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2cbc h LEU 251 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2cbc h LEU 251 CO 0.75 0.70 0.00 0.29 -0.34 0.00 0.00 178.44 179.84 2cbc n LYS 252 N -4.18 0.00 -1.47 1.25 5.02 -1.26 -3.07 118.16 114.45 2cbc n LYS 252 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2cbc n LYS 252 Cb 0.35 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.29 2cbc n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2cbc n ASN 253 N 2.50 6.54 -4.19 4.39 4.05 -1.26 -4.90 115.26 122.38 2cbc n ASN 253 Ca 0.00 -3.05 -0.19 0.00 0.45 0.00 0.00 54.58 51.80 2cbc n ASN 253 Cb 0.00 -1.29 -0.12 0.00 1.23 0.00 0.00 39.78 39.60 2cbc n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2cbc s ARG 254 N -1.03 0.88 -0.08 1.20 0.52 -1.18 -5.14 118.95 114.12 2cbc s ARG 254 Ca 0.60 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2cbc s ARG 254 Cb 0.34 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.92 2cbc s ARG 254 CO -0.16 0.19 -0.16 -1.14 0.02 0.00 0.00 175.30 174.05 2cbc s GLN 255 N -1.96 2.85 -0.20 3.54 0.74 -1.26 -5.03 119.66 118.34 2cbc s GLN 255 Ca 0.01 -0.73 -0.14 0.00 0.05 0.00 0.00 55.36 54.55 2cbc s GLN 255 Cb -0.09 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 2cbc s GLN 255 CO 0.02 0.43 0.31 0.42 -0.55 0.00 0.00 175.29 175.92 2cbc s ILE 256 N -0.22 5.26 0.07 -2.34 1.01 -1.26 -4.69 121.20 119.03 2cbc s ILE 256 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.20 2cbc s ILE 256 Cb -0.13 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2cbc s ILE 256 CO 0.03 0.31 0.15 -0.54 0.00 0.00 0.00 174.94 174.89 2cbc s LYS 257 N 1.06 3.21 -0.04 2.79 1.02 -0.38 -1.19 119.74 126.20 2cbc s LYS 257 Ca 0.15 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2cbc s LYS 257 Cb -0.14 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2cbc s LYS 257 CO 0.06 0.59 -0.17 0.00 -0.92 0.00 0.00 175.35 174.91 2cbc s ALA 258 N -1.45 2.53 -2.05 5.17 0.00 0.61 -1.22 121.76 125.35 2cbc s ALA 258 Ca 0.32 -1.01 0.28 0.00 0.00 0.00 0.00 51.96 51.55 2cbc s ALA 258 Cb -0.13 -0.86 1.08 0.00 0.00 0.00 0.00 23.12 23.21 2cbc s ALA 258 CO 0.25 0.54 1.76 -1.13 0.00 0.00 0.00 175.76 177.19 2cbc n SER 259 N 2.36 1.00 -3.99 0.00 3.41 0.18 -0.69 113.62 115.89 2cbc n SER 259 Ca -0.17 -1.08 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2cbc n SER 259 Cb 0.52 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 2cbc n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2cbc s PHE 260 N -2.25 1.24 0.00 7.33 -0.71 -1.26 -4.89 117.98 117.44 2cbc s PHE 260 Ca 0.33 -1.40 0.00 0.00 -1.04 0.00 0.00 56.93 54.82 2cbc s PHE 260 Cb 0.20 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.47 2cbc s PHE 260 CO 0.42 -0.72 0.14 0.36 -1.34 0.00 0.00 175.22 174.08