#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfu n ASN 3 N 0.00 0.92 -4.05 0.00 3.02 -1.26 -4.99 115.26 108.90 3bfu n ASN 3 Ca 0.00 1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 55.57 3bfu n ASN 3 Cb 0.00 -1.13 -0.11 0.00 -0.61 0.00 0.00 39.78 37.93 3bfu n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3bfu s LYS 4 N -0.16 0.49 0.11 3.52 2.20 -1.26 -5.11 119.74 119.52 3bfu s LYS 4 Ca 0.78 -0.76 -0.33 0.00 -0.36 0.00 0.00 55.97 55.30 3bfu s LYS 4 Cb -0.96 -0.16 -0.12 0.00 -1.51 0.00 0.00 37.83 35.07 3bfu s LYS 4 CO 0.52 0.01 1.72 2.41 -0.36 0.00 0.00 175.35 179.66 3bfu n THR 5 N 1.37 0.21 -2.74 3.43 -1.04 -1.26 -4.70 114.28 109.54 3bfu n THR 5 Ca -0.22 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 3bfu n THR 5 Cb 0.55 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 3bfu n THR 5 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3bfu s VAL 6 N 2.05 4.85 -0.32 12.58 1.01 0.28 -4.89 120.40 135.96 3bfu s VAL 6 Ca 0.82 1.97 -0.21 0.00 0.00 0.00 0.00 61.98 64.56 3bfu s VAL 6 Cb -0.61 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.49 3bfu s VAL 6 CO 0.40 0.10 0.66 -0.69 0.00 0.00 0.00 175.10 175.57 3bfu s VAL 7 N 1.48 4.89 -0.23 2.92 1.01 -1.26 -1.10 120.40 128.11 3bfu s VAL 7 Ca 0.48 0.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3bfu s VAL 7 Cb -0.19 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3bfu s VAL 7 CO 0.22 -0.21 0.13 -0.69 0.00 0.00 0.00 175.10 174.55 3bfu s VAL 8 N 2.71 5.15 -0.11 2.92 1.01 -0.29 -0.54 120.40 131.25 3bfu s VAL 8 Ca 0.26 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3bfu s VAL 8 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3bfu s VAL 8 CO 0.13 0.37 0.14 0.28 0.00 0.00 0.00 175.10 176.02 3bfu s THR 9 N 0.92 5.46 0.37 3.92 -1.32 0.32 -0.78 115.64 124.52 3bfu s THR 9 Ca 0.06 0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.67 3bfu s THR 9 Cb -0.13 -3.39 0.02 0.00 -1.51 0.00 0.00 72.50 67.49 3bfu s THR 9 CO 0.03 0.61 0.57 0.28 -2.21 0.00 0.00 174.62 173.90 3bfu s THR 10 N -1.04 0.00 0.03 5.08 -1.32 -0.61 -2.34 115.64 115.44 3bfu s THR 10 Ca 0.16 -1.44 0.04 0.00 -1.21 0.00 0.00 61.69 59.24 3bfu s THR 10 Cb -0.12 -2.75 -0.02 0.00 -1.51 0.00 0.00 72.50 68.10 3bfu s THR 10 CO 0.05 0.00 -0.12 -0.51 -2.21 0.00 0.00 174.62 171.83 3bfu s ILE 11 N -2.74 0.95 -0.84 5.08 2.07 -1.26 -0.69 121.20 123.78 3bfu s ILE 11 Ca 0.27 -0.86 -0.25 0.00 -1.41 0.00 0.00 60.65 58.39 3bfu s ILE 11 Cb -0.02 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.73 3bfu s ILE 11 CO 0.19 0.01 1.47 -0.76 -1.91 0.00 0.00 174.94 173.93 3bfu s LEU 12 N -0.97 3.29 -0.12 8.50 1.43 -1.26 -4.27 118.68 125.28 3bfu s LEU 12 Ca 0.01 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3bfu s LEU 12 Cb -0.07 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.65 3bfu s LEU 12 CO 0.01 -1.87 0.13 -0.70 0.23 0.00 0.00 176.35 174.15 3bfu s GLU 13 N 5.74 0.05 0.30 1.70 2.56 -1.01 -4.98 118.70 123.05 3bfu s GLU 13 Ca 0.46 0.28 -0.29 0.00 0.00 0.00 0.00 54.97 55.42 3bfu s GLU 13 Cb -0.06 -0.93 -0.10 0.00 2.00 0.00 0.00 34.13 35.04 3bfu s GLU 13 CO 0.06 -0.48 1.18 -1.12 -0.56 0.00 0.00 175.26 174.33 3bfu s SER 14 N 2.24 7.07 -0.42 -1.70 0.01 -1.26 -0.01 113.70 119.62 3bfu s SER 14 Ca 0.04 2.43 0.05 0.00 1.31 0.00 0.00 55.95 59.78 3bfu s SER 14 Cb -0.14 -2.64 0.64 0.00 0.21 0.00 0.00 66.02 64.10 3bfu s SER 14 CO -0.07 -0.29 1.84 -0.81 0.41 0.00 0.00 173.24 174.31 3bfu n PRO 15 N 1.03 2.18 -0.01 12.44 -0.04 -1.26 -4.91 135.00 144.44 3bfu n PRO 15 Ca -0.01 -3.04 -0.12 0.00 -0.04 0.00 0.00 63.50 60.29 3bfu n PRO 15 Cb 0.44 -2.12 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 3bfu n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bfu h TYR 16 N 1.01 -0.07 -3.29 0.54 0.05 -0.77 -0.12 116.97 114.31 3bfu h TYR 16 Ca 0.57 -0.00 -0.30 0.00 0.05 0.00 0.00 58.73 59.04 3bfu h TYR 16 Cb 2.67 0.02 -0.35 0.00 1.01 0.00 0.00 36.73 40.08 3bfu h TYR 16 CO 1.51 0.52 -0.68 0.08 -1.05 0.00 0.00 178.16 178.54 3bfu s VAL 17 N -3.24 -0.12 0.04 -2.88 1.01 -0.77 -1.19 120.40 113.25 3bfu s VAL 17 Ca -0.15 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3bfu s VAL 17 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 3bfu s VAL 17 CO 0.58 0.12 -0.05 -0.04 0.00 0.00 0.00 175.10 175.71 3bfu s MET 18 N 1.69 0.46 0.07 2.72 -1.94 0.57 -2.41 119.30 120.47 3bfu s MET 18 Ca -0.02 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 3bfu s MET 18 Cb -0.12 -0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.59 3bfu s MET 18 CO -0.04 -0.01 1.13 -1.64 -0.01 0.00 0.00 175.02 174.45 3bfu s MET 19 N -1.88 4.49 0.57 2.03 -1.94 -1.26 -1.41 119.30 119.91 3bfu s MET 19 Ca -0.10 1.68 -0.20 0.00 -1.71 0.00 0.00 55.69 55.37 3bfu s MET 19 Cb -0.07 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3bfu s MET 19 CO -0.01 -0.14 1.22 0.15 -0.01 0.00 0.00 175.02 176.22 3bfu s LYS 20 N 0.77 3.10 0.24 2.03 1.02 -0.29 -4.89 119.74 121.72 3bfu s LYS 20 Ca 0.55 1.87 -0.06 0.00 0.02 0.00 0.00 55.97 58.35 3bfu s LYS 20 Cb -0.28 -2.03 0.43 0.00 -0.52 0.00 0.00 37.83 35.43 3bfu s LYS 20 CO 0.30 -1.11 1.67 0.87 -0.92 0.00 0.00 175.35 176.16 3bfu h LYS 21 N 1.12 0.20 -1.12 1.68 1.57 -1.94 0.13 116.57 118.21 3bfu h LYS 21 Ca -0.50 -0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 57.59 3bfu h LYS 21 Cb 1.29 -0.05 -0.31 0.00 0.08 0.00 0.00 32.23 33.25 3bfu h LYS 21 CO 0.56 0.13 0.62 0.27 -0.57 0.00 0.00 179.45 180.47 3bfu n ASN 22 N -5.22 7.22 -0.05 0.86 6.94 -1.26 -4.74 115.26 119.01 3bfu n ASN 22 Ca 0.13 -3.79 0.07 0.00 -0.02 0.00 0.00 54.58 50.97 3bfu n ASN 22 Cb 0.45 -0.89 0.44 0.00 -2.36 0.00 0.00 39.78 37.42 3bfu n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3bfu h HIS 23 N 2.18 0.51 0.00 -2.53 2.07 -1.26 -1.24 115.15 114.89 3bfu h HIS 23 Ca 0.56 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 3bfu h HIS 23 Cb 0.80 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3bfu h HIS 23 CO 1.30 0.29 0.00 1.49 -3.07 0.00 0.00 177.93 177.94 3bfu h GLU 24 N 0.52 0.00 -0.00 5.12 4.57 -1.85 -0.26 114.58 122.68 3bfu h GLU 24 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3bfu h GLU 24 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3bfu h GLU 24 CO -0.06 0.00 -0.05 -0.12 -1.18 0.00 0.00 179.01 177.60 3bfu n MET 25 N -2.84 0.28 -4.66 1.92 1.56 -0.47 -4.87 117.12 108.04 3bfu n MET 25 Ca 0.02 -0.03 -0.30 0.00 -0.27 0.00 0.00 57.70 57.12 3bfu n MET 25 Cb 0.32 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.09 3bfu n MET 25 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3bfu s LEU 26 N -2.74 2.55 0.17 -0.89 1.43 -0.11 -5.14 118.68 113.95 3bfu s LEU 26 Ca 0.22 -1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 51.71 3bfu s LEU 26 Cb 0.20 -0.76 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 3bfu s LEU 26 CO 0.50 -0.65 0.33 -1.83 0.23 0.00 0.00 176.35 174.93 3bfu s GLU 27 N -3.79 1.21 3.50 1.70 -1.05 -1.26 -4.86 118.70 114.14 3bfu s GLU 27 Ca 0.22 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 3bfu s GLU 27 Cb 0.06 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 3bfu s GLU 27 CO 0.11 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.27 3bfu n GLY 28 N -0.24 0.60 0.31 -3.83 0.00 -1.26 -3.04 105.19 97.72 3bfu n GLY 28 Ca -0.07 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.36 3bfu n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3bfu h ASN 29 N 6.48 0.00 0.47 1.61 2.35 -1.92 -2.67 115.58 121.89 3bfu h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bfu h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3bfu h ASN 29 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 3bfu n GLU 30 N -3.01 0.05 0.10 0.81 -0.58 -1.17 -2.46 120.64 114.39 3bfu n GLU 30 Ca -0.02 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.19 3bfu n GLU 30 Cb 0.14 -1.61 0.45 0.00 -0.57 0.00 0.00 31.44 29.86 3bfu n GLU 30 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3bfu n ARG 31 N -1.70 0.21 -4.40 3.49 1.74 -1.01 -4.84 116.66 110.14 3bfu n ARG 31 Ca 0.03 0.28 -0.25 0.00 -0.77 0.00 0.00 57.85 57.13 3bfu n ARG 31 Cb 0.16 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.70 3bfu n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3bfu s TYR 32 N -3.17 2.41 0.04 -1.55 2.02 -1.03 -1.14 117.35 114.94 3bfu s TYR 32 Ca 0.08 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.32 3bfu s TYR 32 Cb 0.12 -1.10 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 3bfu s TYR 32 CO 0.51 0.62 0.37 -1.83 -1.57 0.00 0.00 175.55 173.65 3bfu s GLU 33 N -3.25 0.88 0.00 -0.62 -1.05 -0.50 -4.83 118.70 109.33 3bfu s GLU 33 Ca 0.27 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 3bfu s GLU 33 Cb -0.06 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 3bfu s GLU 33 CO 0.15 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.47 3bfu n GLY 34 N 0.52 1.20 0.15 -3.83 0.00 -1.26 -0.31 105.19 101.66 3bfu n GLY 34 Ca -0.18 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 3bfu n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bfu h TYR 35 N 0.00 -0.23 0.00 1.61 3.20 -0.58 -1.42 116.97 119.56 3bfu h TYR 35 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3bfu h TYR 35 Cb 0.00 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3bfu h TYR 35 CO 0.00 -0.15 -0.24 0.00 -1.64 0.00 0.00 178.16 176.13 3bfu h VAL 37 N 0.00 1.30 -0.41 0.00 2.07 -1.46 0.12 116.25 117.88 3bfu h VAL 37 Ca -0.00 -1.37 -0.13 0.00 0.82 0.00 0.00 66.70 66.01 3bfu h VAL 37 Cb 0.81 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3bfu h VAL 37 CO 0.03 0.44 -0.26 0.44 0.02 0.00 0.00 177.57 178.23 3bfu h ASP 38 N 0.38 0.88 -0.47 0.57 3.32 -0.91 -2.76 116.42 117.45 3bfu h ASP 38 Ca 0.05 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 3bfu h ASP 38 Cb 0.78 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3bfu h ASP 38 CO 0.06 1.09 0.12 0.25 -1.72 0.00 0.00 179.24 179.04 3bfu h LEU 39 N 0.73 0.71 -0.37 1.55 5.85 -0.82 -2.29 115.31 120.67 3bfu h LEU 39 Ca 0.09 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3bfu h LEU 39 Cb 0.81 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3bfu h LEU 39 CO 0.07 0.76 0.12 0.00 -0.34 0.00 0.00 178.44 179.04 3bfu h ALA 40 N 0.98 0.43 -0.89 1.25 0.00 -0.87 0.11 119.26 120.27 3bfu h ALA 40 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bfu h ALA 40 Cb 0.32 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3bfu h ALA 40 CO 0.00 -0.27 0.59 0.00 0.00 0.00 0.00 179.25 179.57 3bfu h ALA 41 N 1.25 1.15 -0.34 0.00 0.00 -1.34 0.34 119.26 120.32 3bfu h ALA 41 Ca 0.17 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3bfu h ALA 41 Cb 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3bfu h ALA 41 CO -0.19 0.51 -0.12 0.93 0.00 0.00 0.00 179.25 180.38 3bfu h GLU 42 N 1.19 0.69 -0.24 0.00 4.39 -0.76 -0.41 114.58 119.43 3bfu h GLU 42 Ca 0.34 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3bfu h GLU 42 Cb -0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3bfu h GLU 42 CO -0.08 0.87 0.09 0.82 -1.16 0.00 0.00 179.01 179.55 3bfu h ILE 43 N 0.47 1.18 -0.70 3.13 1.08 -0.52 -1.50 117.51 120.64 3bfu h ILE 43 Ca 0.08 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3bfu h ILE 43 Cb 0.65 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 3bfu h ILE 43 CO 0.04 0.18 0.46 0.00 -0.69 0.00 0.00 178.15 178.14 3bfu h ALA 44 N 0.93 0.90 -0.12 1.87 0.00 -0.89 0.14 119.26 122.09 3bfu h ALA 44 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3bfu h ALA 44 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3bfu h ALA 44 CO -0.01 0.27 0.07 -0.22 0.00 0.00 0.00 179.25 179.37 3bfu h LYS 45 N 0.91 0.16 0.00 0.00 3.64 -0.85 0.42 116.57 120.86 3bfu h LYS 45 Ca 0.27 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3bfu h LYS 45 Cb -0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3bfu h LYS 45 CO -0.08 0.16 -0.42 0.45 -2.27 0.00 0.00 179.45 177.29 3bfu h HIS 46 N 0.12 0.00 0.00 1.91 3.86 -0.93 -3.08 115.15 117.03 3bfu h HIS 46 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3bfu h HIS 46 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3bfu h HIS 46 CO -0.05 0.42 -0.98 0.00 0.86 0.00 0.00 177.93 178.18 3bfu n GLY 48 N 1.34 0.02 3.21 0.00 0.00 0.14 -5.04 105.19 104.86 3bfu n GLY 48 Ca 0.02 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3bfu n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bfu s PHE 49 N -3.17 -0.06 0.28 1.61 -0.12 -0.94 -5.06 117.98 110.53 3bfu s PHE 49 Ca 0.18 -0.02 -0.09 0.00 -0.05 0.00 0.00 56.93 56.95 3bfu s PHE 49 Cb -0.02 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 3bfu s PHE 49 CO 0.32 -0.42 0.61 0.15 -0.05 0.00 0.00 175.22 175.83 3bfu s LYS 50 N -2.02 3.79 0.06 1.99 1.02 -1.26 -4.67 119.74 118.65 3bfu s LYS 50 Ca -0.09 0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.09 3bfu s LYS 50 Cb -0.03 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3bfu s LYS 50 CO -0.00 0.22 0.24 1.52 -0.92 0.00 0.00 175.35 176.41 3bfu s TYR 51 N -1.97 0.02 -0.15 3.18 -0.85 -1.26 -0.55 117.35 115.77 3bfu s TYR 51 Ca 0.48 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 3bfu s TYR 51 Cb -0.11 0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.27 3bfu s TYR 51 CO 0.24 -0.51 -0.15 0.21 -1.52 0.00 0.00 175.55 173.83 3bfu s LYS 52 N -3.08 2.34 0.12 -3.49 2.20 -0.26 -4.89 119.74 112.68 3bfu s LYS 52 Ca -0.01 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 3bfu s LYS 52 Cb 0.01 -2.13 -0.06 0.00 -1.51 0.00 0.00 37.83 34.14 3bfu s LYS 52 CO -0.07 -0.23 1.02 -0.51 -0.36 0.00 0.00 175.35 175.20 3bfu s LEU 53 N 1.46 4.47 -0.01 5.43 1.43 -1.26 -1.14 118.68 129.07 3bfu s LEU 53 Ca 0.05 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3bfu s LEU 53 Cb -0.13 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3bfu s LEU 53 CO -0.11 -0.16 0.01 0.42 0.23 0.00 0.00 176.35 176.75 3bfu s THR 54 N 0.10 0.02 -0.07 5.49 -4.23 0.04 -4.86 115.64 112.13 3bfu s THR 54 Ca 0.49 0.09 -0.26 0.00 -1.18 0.00 0.00 61.69 60.83 3bfu s THR 54 Cb -0.25 -0.09 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 3bfu s THR 54 CO 0.31 0.06 0.83 -0.63 -0.54 0.00 0.00 174.62 174.65 3bfu s ILE 55 N 0.59 4.94 0.01 2.99 -1.09 -1.26 -1.58 121.20 125.80 3bfu s ILE 55 Ca -0.05 1.70 -0.37 0.00 -2.23 0.00 0.00 60.65 59.70 3bfu s ILE 55 Cb -0.07 -4.16 -0.16 0.00 -1.58 0.00 0.00 42.46 36.49 3bfu s ILE 55 CO -0.02 0.16 1.50 0.55 -1.23 0.00 0.00 174.94 175.90 3bfu n VAL 56 N 4.09 0.10 -0.14 2.92 3.14 0.14 -4.88 118.33 123.70 3bfu n VAL 56 Ca 0.03 -0.02 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 3bfu n VAL 56 Cb 0.50 -1.09 -0.02 0.00 -1.06 0.00 0.00 33.84 32.18 3bfu n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3bfu h GLY 57 N 5.65 -0.28 0.83 7.55 0.00 -1.93 -2.15 103.07 112.73 3bfu h GLY 57 Ca -0.47 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3bfu h GLY 57 CO 0.84 -0.20 -0.03 2.09 0.00 0.00 0.00 176.54 179.24 3bfu n ASP 58 N -5.42 0.37 -1.16 0.19 5.68 -1.26 -4.91 116.55 110.03 3bfu n ASP 58 Ca 0.01 -0.83 -0.15 0.00 -0.50 0.00 0.00 54.79 53.33 3bfu n ASP 58 Cb 0.34 -0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 3bfu n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bfu n GLY 59 N 1.15 1.42 3.75 6.12 0.00 -0.81 -4.98 105.19 111.84 3bfu n GLY 59 Ca 0.19 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3bfu n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bfu s LYS 60 N -3.33 2.66 -0.09 1.61 1.02 -1.26 -4.99 119.74 115.37 3bfu s LYS 60 Ca 0.00 -1.16 -0.25 0.00 0.02 0.00 0.00 55.97 54.58 3bfu s LYS 60 Cb 0.00 -2.42 -0.21 0.00 -0.52 0.00 0.00 37.83 34.68 3bfu s LYS 60 CO 0.00 0.40 0.87 1.88 -0.92 0.00 0.00 175.35 177.59 3bfu h TYR 61 N 1.85 -0.04 0.00 3.18 0.05 -1.92 -1.93 116.97 118.16 3bfu h TYR 61 Ca -0.47 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3bfu h TYR 61 Cb 1.23 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.99 3bfu h TYR 61 CO 0.61 0.66 0.00 0.41 -1.05 0.00 0.00 178.16 178.79 3bfu n GLY 62 N 1.07 2.91 3.13 3.88 0.00 -1.26 -1.92 105.19 113.00 3bfu n GLY 62 Ca -0.09 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3bfu n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfu s ALA 63 N 0.00 -0.17 -0.28 4.61 0.00 -1.24 -4.70 121.76 119.98 3bfu s ALA 63 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 3bfu s ALA 63 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3bfu s ALA 63 CO 0.00 -0.31 0.26 0.50 0.00 0.00 0.00 175.76 176.21 3bfu s ARG 64 N -2.41 3.98 0.09 0.00 3.52 -1.26 -0.95 118.95 121.92 3bfu s ARG 64 Ca -0.07 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.04 3bfu s ARG 64 Cb -0.02 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 3bfu s ARG 64 CO -0.03 -0.22 1.58 0.34 -0.81 0.00 0.00 175.30 176.16 3bfu s ASP 65 N 1.71 6.64 0.14 -2.12 -1.08 -0.41 -4.89 116.67 116.67 3bfu s ASP 65 Ca 0.10 2.47 -0.21 0.00 -0.52 0.00 0.00 52.55 54.40 3bfu s ASP 65 Cb -0.16 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 3bfu s ASP 65 CO 0.11 -0.83 1.67 0.00 0.52 0.00 0.00 175.17 176.63 3bfu h ALA 66 N 7.71 0.03 0.25 3.66 0.00 -1.96 0.73 119.26 129.69 3bfu h ALA 66 Ca -0.42 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3bfu h ALA 66 Cb 1.20 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3bfu h ALA 66 CO 0.92 -0.56 -0.12 -0.44 0.00 0.00 0.00 179.25 179.05 3bfu h ASP 67 N -0.12 -0.28 1.18 0.00 3.32 -1.99 -3.34 116.42 115.18 3bfu h ASP 67 Ca 0.13 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3bfu h ASP 67 Cb 0.31 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3bfu h ASP 67 CO -0.30 -0.14 -0.12 0.71 -1.72 0.00 0.00 179.24 177.67 3bfu h THR 68 N -0.46 0.27 -0.54 0.35 1.35 -1.98 -3.46 112.91 108.43 3bfu h THR 68 Ca -0.03 -0.94 -0.23 0.00 -0.55 0.00 0.00 66.41 64.65 3bfu h THR 68 Cb 0.26 1.75 -0.09 0.00 -1.73 0.00 0.00 68.15 68.34 3bfu h THR 68 CO 0.06 0.12 -0.21 0.29 -0.25 0.00 0.00 175.52 175.52 3bfu n LYS 69 N -3.22 -0.99 -3.36 4.72 5.02 0.26 -4.98 118.16 115.61 3bfu n LYS 69 Ca 0.01 0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 56.80 3bfu n LYS 69 Cb 0.42 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.44 3bfu n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bfu s ILE 70 N -2.33 5.11 0.02 -0.18 1.01 -1.25 -4.71 121.20 118.88 3bfu s ILE 70 Ca 0.00 0.93 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 3bfu s ILE 70 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3bfu s ILE 70 CO 0.00 0.41 0.77 0.26 0.00 0.00 0.00 174.94 176.38 3bfu s TRP 71 N 0.04 3.70 0.30 3.97 0.52 -1.26 -1.29 118.94 124.92 3bfu s TRP 71 Ca 0.25 1.45 0.04 0.00 0.02 0.00 0.00 56.10 57.86 3bfu s TRP 71 Cb -0.16 -2.84 0.04 0.00 -1.15 0.00 0.00 33.47 29.36 3bfu s TRP 71 CO 0.12 0.22 0.30 0.27 0.02 0.00 0.00 176.95 177.87 3bfu n ASN 72 N 3.08 1.58 -0.39 2.95 0.23 -0.12 -4.25 115.26 118.32 3bfu n ASN 72 Ca -0.02 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3bfu n ASN 72 Cb 0.50 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3bfu n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bfu n GLY 73 N 1.42 -0.33 0.36 4.83 0.00 -1.26 -1.68 105.19 108.53 3bfu n GLY 73 Ca 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.07 3bfu n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3bfu h MET 74 N 0.00 1.12 -0.46 1.61 2.86 -0.64 -1.13 114.93 118.28 3bfu h MET 74 Ca 0.00 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3bfu h MET 74 Cb 0.00 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.36 3bfu h MET 74 CO 0.00 0.74 0.20 0.28 1.06 0.00 0.00 176.91 179.19 3bfu h VAL 75 N 1.15 0.90 -0.78 -2.22 2.07 -1.60 -1.57 116.25 114.21 3bfu h VAL 75 Ca 0.41 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.81 3bfu h VAL 75 Cb 0.14 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3bfu h VAL 75 CO -0.16 0.07 0.52 1.23 0.02 0.00 0.00 177.57 179.24 3bfu h GLY 76 N 0.39 1.09 0.57 2.17 0.00 -0.33 0.48 103.07 107.44 3bfu h GLY 76 Ca 0.21 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.23 3bfu h GLY 76 CO -0.19 0.40 0.60 0.83 0.00 0.00 0.00 176.54 178.18 3bfu h GLU 77 N 1.05 0.97 -0.06 4.80 4.39 -0.37 0.17 114.58 125.54 3bfu h GLU 77 Ca 0.29 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 3bfu h GLU 77 Cb -0.12 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.31 3bfu h GLU 77 CO -0.06 0.64 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.24 3bfu h LEU 78 N 1.00 0.21 -0.67 1.33 3.38 -0.49 0.22 115.31 120.30 3bfu h LEU 78 Ca 0.45 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3bfu h LEU 78 Cb 0.35 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3bfu h LEU 78 CO -0.23 0.73 0.38 0.58 0.09 0.00 0.00 178.44 179.99 3bfu h VAL 79 N -0.31 0.99 -0.39 1.22 2.07 -0.31 -2.38 116.25 117.14 3bfu h VAL 79 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3bfu h VAL 79 Cb 0.70 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3bfu h VAL 79 CO 0.03 0.13 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 3bfu n TYR 80 N -4.77 0.56 -1.20 1.57 4.01 -0.01 -4.94 117.16 112.39 3bfu n TYR 80 Ca 0.08 -0.27 -0.07 0.00 -0.16 0.00 0.00 57.90 57.48 3bfu n TYR 80 Cb 0.16 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 3bfu n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bfu n GLY 81 N 1.07 0.90 0.17 2.72 0.00 -0.90 -4.90 105.19 104.24 3bfu n GLY 81 Ca 0.13 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.77 3bfu n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bfu h LYS 82 N 0.12 0.00 -3.70 1.61 1.79 -0.82 -3.45 116.57 112.11 3bfu h LYS 82 Ca -0.14 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.21 3bfu h LYS 82 Cb 0.53 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.01 3bfu h LYS 82 CO 0.21 0.00 -0.46 0.00 -1.08 0.00 0.00 179.45 178.12 3bfu s ALA 83 N -3.24 -0.20 -0.11 3.86 0.00 -0.99 -5.00 121.76 116.08 3bfu s ALA 83 Ca 0.07 -0.44 0.16 0.00 0.00 0.00 0.00 51.96 51.75 3bfu s ALA 83 Cb 0.09 0.28 -0.18 0.00 0.00 0.00 0.00 23.12 23.31 3bfu s ALA 83 CO 0.58 -0.35 0.67 -0.25 0.00 0.00 0.00 175.76 176.41 3bfu n ASP 84 N 0.67 0.72 -3.61 0.00 8.00 0.30 -4.49 116.55 118.14 3bfu n ASP 84 Ca -0.19 0.33 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 3bfu n ASP 84 Cb 0.59 0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 3bfu n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bfu s ILE 85 N -2.81 0.03 -0.20 0.53 2.07 -1.00 -4.18 121.20 115.63 3bfu s ILE 85 Ca -0.04 -0.23 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3bfu s ILE 85 Cb 0.08 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.81 3bfu s ILE 85 CO 0.82 -0.12 -0.17 0.00 -1.91 0.00 0.00 174.94 173.56 3bfu s ALA 86 N -1.68 2.42 -0.40 1.50 0.00 0.71 -0.52 121.76 123.79 3bfu s ALA 86 Ca -0.10 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.62 3bfu s ALA 86 Cb -0.02 -1.30 0.11 0.00 0.00 0.00 0.00 23.12 21.91 3bfu s ALA 86 CO 0.04 -0.47 0.12 0.42 0.00 0.00 0.00 175.76 175.88 3bfu s ILE 87 N 1.29 2.43 0.24 0.00 1.01 -0.99 -1.85 121.20 123.34 3bfu s ILE 87 Ca 0.03 -2.63 -0.21 0.00 0.00 0.00 0.00 60.65 57.84 3bfu s ILE 87 Cb -0.14 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.64 3bfu s ILE 87 CO -0.11 -0.67 0.93 0.00 0.00 0.00 0.00 174.94 175.09 3bfu s ALA 88 N 0.54 -1.33 -1.30 9.38 0.00 -1.26 -4.63 121.76 123.17 3bfu s ALA 88 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 3bfu s ALA 88 Cb -0.21 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 3bfu s ALA 88 CO -0.05 -1.04 2.56 -0.35 0.00 0.00 0.00 175.76 176.88 3bfu n PRO 89 N -0.59 2.94 -3.15 0.00 -0.04 -1.26 -4.66 135.00 128.24 3bfu n PRO 89 Ca -0.05 -1.88 -0.41 0.00 -0.04 0.00 0.00 63.50 61.12 3bfu n PRO 89 Cb 0.60 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.33 3bfu n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3bfu s LEU 90 N 0.20 4.17 0.10 1.53 2.96 -1.26 -5.01 118.68 121.37 3bfu s LEU 90 Ca 0.56 0.34 -0.31 0.00 -0.22 0.00 0.00 54.13 54.49 3bfu s LEU 90 Cb 0.14 -2.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.01 3bfu s LEU 90 CO -0.05 -0.46 1.34 -0.89 -1.32 0.00 0.00 176.35 174.97 3bfu s THR 91 N 2.54 3.50 -0.28 3.68 2.01 -1.26 -2.06 115.64 123.77 3bfu s THR 91 Ca 0.23 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 3bfu s THR 91 Cb -0.15 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3bfu s THR 91 CO 0.12 0.08 1.44 -0.63 -0.69 0.00 0.00 174.62 174.95 3bfu s ILE 92 N 1.12 3.93 0.10 1.82 1.01 -0.63 -4.91 121.20 123.65 3bfu s ILE 92 Ca 0.63 1.04 0.03 0.00 0.00 0.00 0.00 60.65 62.36 3bfu s ILE 92 Cb -0.35 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3bfu s ILE 92 CO 0.30 -0.42 -0.09 0.42 0.00 0.00 0.00 174.94 175.15 3bfu s THR 93 N 4.82 0.90 0.10 2.92 -4.23 -1.26 -4.75 115.64 114.14 3bfu s THR 93 Ca 0.63 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.16 3bfu s THR 93 Cb -0.20 -1.49 -0.12 0.00 1.34 0.00 0.00 72.50 72.03 3bfu s THR 93 CO 0.26 -0.66 1.73 0.25 -0.54 0.00 0.00 174.62 175.66 3bfu h LEU 94 N 3.32 -0.06 -1.73 4.79 5.85 -1.98 0.35 115.31 125.85 3bfu h LEU 94 Ca -0.37 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.44 3bfu h LEU 94 Cb 1.18 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3bfu h LEU 94 CO 0.57 -0.03 0.30 -0.37 -0.34 0.00 0.00 178.44 178.58 3bfu h VAL 95 N -0.02 0.94 0.24 1.05 -1.51 -2.00 -1.82 116.25 113.14 3bfu h VAL 95 Ca 0.02 -0.11 -0.33 0.00 -1.23 0.00 0.00 66.70 65.05 3bfu h VAL 95 Cb 0.05 0.58 0.03 0.00 -2.13 0.00 0.00 31.29 29.83 3bfu h VAL 95 CO -0.05 0.06 -1.45 0.03 -1.23 0.00 0.00 177.57 174.93 3bfu h ARG 96 N 0.33 0.50 0.00 5.19 3.08 -1.84 -3.24 114.38 118.40 3bfu h ARG 96 Ca 0.20 -0.86 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3bfu h ARG 96 Cb 0.37 0.32 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3bfu h ARG 96 CO -0.05 1.41 0.00 0.93 -1.07 0.00 0.00 179.97 181.19 3bfu h GLU 97 N 0.14 0.00 0.00 0.04 4.39 -0.26 0.30 114.58 119.19 3bfu h GLU 97 Ca -0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 3bfu h GLU 97 Cb 2.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.79 3bfu h GLU 97 CO 0.27 0.00 -0.08 0.93 -1.16 0.00 0.00 179.01 178.96 3bfu h GLU 98 N 0.00 0.00 0.00 2.33 5.08 -1.38 -3.36 114.58 117.26 3bfu h GLU 98 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3bfu h GLU 98 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3bfu h GLU 98 CO 0.00 0.08 -1.38 1.33 -1.00 0.00 0.00 179.01 178.05 3bfu n VAL 99 N -3.14 0.26 -4.31 3.13 0.24 -0.31 -5.06 118.33 109.13 3bfu n VAL 99 Ca 0.02 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 3bfu n VAL 99 Cb 0.48 -0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 32.38 3bfu n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3bfu s ILE 100 N -2.27 0.85 0.08 1.34 -4.36 -0.06 -4.17 121.20 112.60 3bfu s ILE 100 Ca -0.03 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.30 3bfu s ILE 100 Cb 0.03 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 3bfu s ILE 100 CO 0.26 -0.28 0.31 -1.81 0.24 0.00 0.00 174.94 173.66 3bfu s ASP 101 N -3.28 6.47 -0.01 4.36 1.01 -0.25 -4.25 116.67 120.72 3bfu s ASP 101 Ca 0.30 0.52 0.06 0.00 0.71 0.00 0.00 52.55 54.14 3bfu s ASP 101 Cb 0.06 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3bfu s ASP 101 CO 0.09 0.15 -0.19 -0.36 0.21 0.00 0.00 175.17 175.07 3bfu s PHE 102 N -1.49 1.70 0.98 4.23 0.08 -1.26 -1.44 117.98 120.78 3bfu s PHE 102 Ca 0.35 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 3bfu s PHE 102 Cb -0.13 -1.09 0.21 0.00 -0.57 0.00 0.00 43.02 41.44 3bfu s PHE 102 CO 0.22 -0.03 1.32 -1.54 -0.10 0.00 0.00 175.22 175.09 3bfu s SER 103 N -0.44 2.93 0.59 1.36 1.04 -0.02 -4.94 113.70 114.22 3bfu s SER 103 Ca 0.07 0.27 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 3bfu s SER 103 Cb -0.07 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 3bfu s SER 103 CO -0.01 -2.85 1.19 -0.54 0.98 0.00 0.00 173.24 172.01 3bfu s LYS 104 N -5.87 3.03 0.43 4.02 -0.14 -1.26 -4.55 119.74 115.40 3bfu s LYS 104 Ca 0.74 1.77 -0.26 0.00 -1.36 0.00 0.00 55.97 56.86 3bfu s LYS 104 Cb -0.04 -1.94 -0.09 0.00 -1.68 0.00 0.00 37.83 34.08 3bfu s LYS 104 CO 0.53 -1.14 1.40 -0.35 -0.76 0.00 0.00 175.35 175.03 3bfu n PRO 105 N -1.57 2.23 0.00 -1.68 -0.04 -1.26 -4.62 135.00 128.07 3bfu n PRO 105 Ca 0.13 0.79 0.08 0.00 -0.04 0.00 0.00 63.50 64.46 3bfu n PRO 105 Cb 0.50 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 3bfu n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3bfu n PHE 106 N -0.11 0.00 -3.59 0.54 1.16 -0.24 -4.96 117.46 110.25 3bfu n PHE 106 Ca 0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.47 3bfu n PHE 106 Cb 0.40 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.21 3bfu n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3bfu s MET 107 N -1.97 0.91 0.10 3.97 0.00 -1.25 -4.98 119.30 116.08 3bfu s MET 107 Ca 0.12 0.64 0.02 0.00 0.00 0.00 0.00 55.69 56.47 3bfu s MET 107 Cb 0.13 0.44 -0.04 0.00 0.00 0.00 0.00 34.83 35.35 3bfu s MET 107 CO 0.44 -0.20 0.18 -1.12 0.00 0.00 0.00 175.02 174.32 3bfu s SER 108 N -0.33 6.01 0.28 1.11 0.01 -1.26 -1.30 113.70 118.22 3bfu s SER 108 Ca -0.05 0.11 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 3bfu s SER 108 Cb -0.03 -1.74 0.04 0.00 0.21 0.00 0.00 66.02 64.50 3bfu s SER 108 CO 0.05 0.12 0.81 -1.48 0.41 0.00 0.00 173.24 173.16 3bfu s LEU 109 N -2.75 -0.14 0.02 2.44 2.34 -0.82 -4.80 118.68 114.96 3bfu s LEU 109 Ca 0.33 -0.74 -0.26 0.00 0.06 0.00 0.00 54.13 53.51 3bfu s LEU 109 Cb -0.12 2.61 0.06 0.00 -0.56 0.00 0.00 46.19 48.18 3bfu s LEU 109 CO 0.26 -1.34 0.60 -0.83 -1.06 0.00 0.00 176.35 173.98 3bfu s GLY 110 N -3.01 -0.53 0.33 -3.48 0.00 -1.26 -1.33 107.32 98.04 3bfu s GLY 110 Ca 0.14 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 3bfu s GLY 110 CO 0.07 0.59 1.38 -0.42 0.00 0.00 0.00 173.10 174.72 3bfu s ILE 111 N -2.01 2.54 0.32 0.90 1.01 -1.26 -0.30 121.20 122.40 3bfu s ILE 111 Ca -0.07 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.14 3bfu s ILE 111 Cb -0.01 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3bfu s ILE 111 CO 0.02 0.12 0.33 -0.94 0.00 0.00 0.00 174.94 174.48 3bfu s SER 112 N -0.24 1.30 -0.07 3.58 1.04 0.81 0.04 113.70 120.16 3bfu s SER 112 Ca 0.52 -1.64 0.04 0.00 0.48 0.00 0.00 55.95 55.35 3bfu s SER 112 Cb -0.42 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3bfu s SER 112 CO 0.54 -1.13 -0.19 -0.63 0.98 0.00 0.00 173.24 172.81 3bfu s ILE 113 N -3.37 2.60 -0.15 -1.02 1.01 -1.26 -1.71 121.20 117.31 3bfu s ILE 113 Ca 0.37 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3bfu s ILE 113 Cb 0.02 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 3bfu s ILE 113 CO 0.24 0.57 -0.16 -0.32 0.00 0.00 0.00 174.94 175.26 3bfu s MET 114 N -0.20 3.21 0.28 2.79 -2.45 0.26 -1.99 119.30 121.19 3bfu s MET 114 Ca -0.01 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 53.73 3bfu s MET 114 Cb -0.13 -2.58 -0.06 0.00 1.25 0.00 0.00 34.83 33.31 3bfu s MET 114 CO 0.03 0.06 -0.05 0.96 1.05 0.00 0.00 175.02 177.07 3bfu s ILE 115 N 0.71 1.56 0.17 10.11 -4.36 -0.63 -1.51 121.20 127.25 3bfu s ILE 115 Ca -0.07 -2.11 -0.26 0.00 -0.26 0.00 0.00 60.65 57.94 3bfu s ILE 115 Cb -0.16 -2.46 -0.08 0.00 1.25 0.00 0.00 42.46 41.02 3bfu s ILE 115 CO 0.01 -0.29 0.82 -0.75 0.24 0.00 0.00 174.94 174.97 3bfu s LYS 116 N -3.75 4.63 0.12 0.37 2.20 -1.26 -1.54 119.74 120.51 3bfu s LYS 116 Ca 0.30 1.23 -0.35 0.00 -0.36 0.00 0.00 55.97 56.79 3bfu s LYS 116 Cb 0.04 -3.27 -0.16 0.00 -1.51 0.00 0.00 37.83 32.93 3bfu s LYS 116 CO 0.12 0.54 1.35 1.63 -0.36 0.00 0.00 175.35 178.63 3bfu n LYS 117 N 1.66 1.36 0.00 4.03 5.02 0.22 -1.86 118.16 128.60 3bfu n LYS 117 Ca -0.05 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3bfu n LYS 117 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 3bfu n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 118 N 2.57 0.74 3.71 0.72 0.00 -1.26 -4.99 105.19 106.68 3bfu n GLY 118 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3bfu n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bfu s THR 119 N -2.21 2.75 -1.16 2.61 2.01 -0.78 -4.86 115.64 114.00 3bfu s THR 119 Ca 0.00 0.48 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 3bfu s THR 119 Cb 0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3bfu s THR 119 CO 0.00 0.03 2.39 -0.81 -0.69 0.00 0.00 174.62 175.54 3bfu n PRO 120 N 4.30 2.62 -3.87 4.92 -0.04 -1.26 -4.78 135.00 136.89 3bfu n PRO 120 Ca 0.14 -1.75 -0.18 0.00 -0.04 0.00 0.00 63.50 61.67 3bfu n PRO 120 Cb 0.39 -2.61 -0.17 0.00 -0.04 0.00 0.00 33.50 31.08 3bfu n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bfu s ILE 121 N 3.06 0.17 -0.04 0.52 -1.09 -1.26 -5.00 121.20 117.56 3bfu s ILE 121 Ca 0.50 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 3bfu s ILE 121 Cb 0.13 -0.29 -0.00 0.00 -1.58 0.00 0.00 42.46 40.71 3bfu s ILE 121 CO -0.04 0.17 0.13 -0.62 -1.23 0.00 0.00 174.94 173.35 3bfu n GLU 122 N 4.44 5.19 -3.83 2.79 1.02 -1.26 -4.96 120.64 124.02 3bfu n GLU 122 Ca -0.21 -0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 56.75 3bfu n GLU 122 Cb 0.50 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 3bfu n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3bfu s SER 123 N -0.84 -0.12 0.15 1.62 1.04 -1.26 -3.58 113.70 110.71 3bfu s SER 123 Ca 0.00 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.45 3bfu s SER 123 Cb 0.00 0.77 0.02 0.00 0.10 0.00 0.00 66.02 66.91 3bfu s SER 123 CO 0.02 -1.47 1.61 0.00 0.98 0.00 0.00 173.24 174.38 3bfu h ALA 124 N 2.00 0.66 -0.90 5.32 0.00 -1.96 -2.52 119.26 121.86 3bfu h ALA 124 Ca -0.26 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.44 3bfu h ALA 124 Cb 1.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3bfu h ALA 124 CO 0.32 0.43 0.57 1.49 0.00 0.00 0.00 179.25 182.07 3bfu h GLU 125 N 0.71 1.05 -0.23 0.00 4.81 -1.96 -1.41 114.58 117.55 3bfu h GLU 125 Ca 0.14 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3bfu h GLU 125 Cb 0.46 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3bfu h GLU 125 CO 0.02 0.69 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.46 3bfu h ASP 126 N 1.08 -0.31 -0.67 1.04 3.32 -1.85 -1.55 116.42 117.48 3bfu h ASP 126 Ca 0.37 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.56 3bfu h ASP 126 Cb 0.08 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3bfu h ASP 126 CO -0.14 -0.12 0.37 -0.07 -1.72 0.00 0.00 179.24 177.56 3bfu h LEU 127 N -0.05 0.54 -1.32 1.55 3.38 -1.03 -2.70 115.31 115.69 3bfu h LEU 127 Ca 0.12 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3bfu h LEU 127 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3bfu h LEU 127 CO -0.27 0.35 -0.34 0.77 0.09 0.00 0.00 178.44 179.05 3bfu h SER 128 N 0.68 0.00 -0.04 -0.43 4.64 -0.75 -3.01 113.55 114.64 3bfu h SER 128 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3bfu h SER 128 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3bfu h SER 128 CO -0.18 0.34 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 3bfu n LYS 129 N -3.99 1.22 -4.27 4.77 5.02 -0.63 -4.90 118.16 115.37 3bfu n LYS 129 Ca -0.02 -0.33 -0.16 0.00 -2.02 0.00 0.00 58.31 55.78 3bfu n LYS 129 Cb 0.39 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 3bfu n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3bfu s GLN 130 N -1.95 1.48 0.00 1.97 1.03 -1.14 -5.08 119.66 115.96 3bfu s GLN 130 Ca 0.34 -1.82 0.00 0.00 0.04 0.00 0.00 55.36 53.91 3bfu s GLN 130 Cb 0.16 0.11 0.00 0.00 0.03 0.00 0.00 33.01 33.31 3bfu s GLN 130 CO 0.27 -0.46 0.00 0.25 -2.54 0.00 0.00 175.29 172.80 3bfu n THR 131 N -0.47 0.00 -0.26 3.63 -2.24 -1.26 -4.82 114.28 108.86 3bfu n THR 131 Ca 0.03 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 3bfu n THR 131 Cb 0.65 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 3bfu n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3bfu h GLU 132 N 0.00 1.02 -5.22 -0.78 4.57 -1.97 -3.40 114.58 108.81 3bfu h GLU 132 Ca 0.00 -0.15 -0.63 0.00 -1.18 0.00 0.00 59.36 57.39 3bfu h GLU 132 Cb 0.00 -0.18 -0.15 0.00 -0.16 0.00 0.00 28.75 28.26 3bfu h GLU 132 CO 0.00 0.81 -0.12 0.42 -1.18 0.00 0.00 179.01 178.94 3bfu s ILE 133 N -5.70 5.09 0.58 2.32 1.01 -1.26 -4.89 121.20 118.35 3bfu s ILE 133 Ca -0.13 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 3bfu s ILE 133 Cb 0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3bfu s ILE 133 CO 0.81 -0.01 0.93 0.00 0.00 0.00 0.00 174.94 176.66 3bfu s ALA 134 N 2.24 3.22 -0.07 9.38 0.00 0.16 -4.87 121.76 131.82 3bfu s ALA 134 Ca 0.18 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 3bfu s ALA 134 Cb -0.16 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.26 3bfu s ALA 134 CO 0.11 -0.69 0.69 1.52 0.00 0.00 0.00 175.76 177.39 3bfu s TYR 135 N -3.01 -0.67 0.00 0.00 -0.85 -1.26 0.02 117.35 111.58 3bfu s TYR 135 Ca 0.53 1.20 0.00 0.00 -0.52 0.00 0.00 57.07 58.28 3bfu s TYR 135 Cb -0.11 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.63 3bfu s TYR 135 CO 0.48 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.34 3bfu n GLY 136 N 1.09 2.79 2.74 5.49 0.00 -1.09 -4.80 105.19 111.40 3bfu n GLY 136 Ca -0.18 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 3bfu n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bfu n THR 137 N 0.00 0.00 -1.86 2.61 -2.24 -1.25 -1.32 114.28 110.22 3bfu n THR 137 Ca 0.00 -2.01 -0.38 0.00 -2.27 0.00 0.00 64.05 59.39 3bfu n THR 137 Cb 0.00 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3bfu n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bfu s LEU 138 N 0.00 3.79 0.00 3.22 2.96 -1.26 -2.31 118.68 125.07 3bfu s LEU 138 Ca 0.33 2.64 0.15 0.00 -0.22 0.00 0.00 54.13 57.03 3bfu s LEU 138 Cb 0.01 -4.38 0.79 0.00 0.50 0.00 0.00 46.19 43.11 3bfu s LEU 138 CO 0.23 -1.59 1.39 -0.67 -1.32 0.00 0.00 176.35 174.40 3bfu n ASP 139 N -1.21 0.00 -3.66 3.68 2.03 0.22 -4.56 116.55 113.05 3bfu n ASP 139 Ca 0.12 -0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.27 3bfu n ASP 139 Cb 0.47 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 3bfu n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3bfu s SER 140 N -2.44 -0.39 0.00 1.67 1.04 -1.26 -5.04 113.70 107.28 3bfu s SER 140 Ca 0.16 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3bfu s SER 140 Cb 0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3bfu s SER 140 CO 0.21 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3bfu n GLY 141 N -0.41 1.04 0.27 7.32 0.00 -1.26 -4.69 105.19 107.46 3bfu n GLY 141 Ca -0.10 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.75 3bfu n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bfu h SER 142 N 0.00 0.17 0.01 1.61 4.64 -1.95 -2.22 113.55 115.82 3bfu h SER 142 Ca 0.00 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3bfu h SER 142 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3bfu h SER 142 CO 0.00 0.15 -0.01 0.74 -0.87 0.00 0.00 176.83 176.85 3bfu h THR 143 N 0.20 1.39 -0.93 2.95 2.02 -1.95 -1.25 112.91 115.34 3bfu h THR 143 Ca 0.05 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.02 3bfu h THR 143 Cb 0.03 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 3bfu h THR 143 CO -0.01 0.32 0.60 0.50 0.37 0.00 0.00 175.52 177.31 3bfu h LYS 144 N -0.56 1.13 -0.58 6.66 3.64 -1.78 -1.63 116.57 123.45 3bfu h LYS 144 Ca -0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3bfu h LYS 144 Cb 0.54 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3bfu h LYS 144 CO 0.00 0.75 0.23 0.93 -2.27 0.00 0.00 179.45 179.10 3bfu h GLU 145 N 1.17 0.83 -0.65 1.90 5.08 -1.36 -2.13 114.58 119.43 3bfu h GLU 145 Ca 0.37 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3bfu h GLU 145 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3bfu h GLU 145 CO -0.12 0.68 0.39 0.35 -1.00 0.00 0.00 179.01 179.31 3bfu h PHE 146 N 0.82 0.73 -0.04 4.33 3.57 -0.23 -2.04 116.94 124.09 3bfu h PHE 146 Ca 0.20 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 3bfu h PHE 146 Cb 0.16 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3bfu h PHE 146 CO 0.01 0.40 -0.70 0.74 -2.23 0.00 0.00 178.31 176.53 3bfu h PHE 147 N 0.76 0.31 -0.79 0.41 0.04 -1.30 -1.89 116.94 114.48 3bfu h PHE 147 Ca 0.27 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 3bfu h PHE 147 Cb 0.06 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 3bfu h PHE 147 CO -0.06 0.85 0.33 -0.09 -0.60 0.00 0.00 178.31 178.75 3bfu h ARG 148 N 0.15 1.17 0.00 1.51 2.43 -0.87 -3.25 114.38 115.53 3bfu h ARG 148 Ca -0.02 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 3bfu h ARG 148 Cb 1.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3bfu h ARG 148 CO 0.11 0.94 -1.41 2.89 -1.51 0.00 0.00 179.97 180.99 3bfu n ARG 149 N -4.30 0.63 -1.59 0.20 1.85 -0.81 -4.99 116.66 107.64 3bfu n ARG 149 Ca 0.07 0.09 -0.47 0.00 -1.00 0.00 0.00 57.85 56.54 3bfu n ARG 149 Cb 0.18 -1.74 -0.03 0.00 -1.05 0.00 0.00 32.46 29.81 3bfu n ARG 149 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3bfu n SER 150 N -2.67 1.41 -0.88 2.89 2.88 -0.71 -4.90 113.62 111.64 3bfu n SER 150 Ca -0.06 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.74 3bfu n SER 150 Cb 0.69 -1.25 0.10 0.00 -0.75 0.00 0.00 64.21 63.00 3bfu n SER 150 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3bfu n LYS 151 N 1.47 2.02 -2.48 -1.46 5.02 -1.26 -4.48 118.16 116.98 3bfu n LYS 151 Ca 0.13 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 54.18 3bfu n LYS 151 Cb 0.27 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3bfu n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bfu s ILE 152 N -1.74 4.06 0.19 -0.18 -1.09 -1.26 -4.93 121.20 116.25 3bfu s ILE 152 Ca 0.26 1.58 -0.14 0.00 -2.23 0.00 0.00 60.65 60.12 3bfu s ILE 152 Cb 0.18 -4.01 0.16 0.00 -1.58 0.00 0.00 42.46 37.22 3bfu s ILE 152 CO 0.27 0.17 1.66 0.00 -1.23 0.00 0.00 174.94 175.82 3bfu h ALA 153 N 6.21 0.44 -0.15 9.38 0.00 -1.99 0.95 119.26 134.09 3bfu h ALA 153 Ca -0.42 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3bfu h ALA 153 Cb 1.21 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3bfu h ALA 153 CO 0.77 -0.42 0.06 0.28 0.00 0.00 0.00 179.25 179.95 3bfu h VAL 154 N 0.06 1.16 -0.26 0.00 2.07 -1.99 -0.77 116.25 116.52 3bfu h VAL 154 Ca 0.27 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3bfu h VAL 154 Cb 0.41 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3bfu h VAL 154 CO -0.50 0.15 -0.16 -0.26 0.02 0.00 0.00 177.57 176.82 3bfu h PHE 155 N 0.09 0.49 -0.23 1.57 0.04 -1.84 -0.88 116.94 116.18 3bfu h PHE 155 Ca 0.05 -0.08 -0.17 0.00 2.80 0.00 0.00 57.97 60.57 3bfu h PHE 155 Cb 0.19 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 3bfu h PHE 155 CO -0.01 0.60 -0.55 0.22 -0.60 0.00 0.00 178.31 177.97 3bfu h ASP 156 N 0.41 0.75 -0.62 2.17 3.58 -0.67 -0.83 116.42 121.21 3bfu h ASP 156 Ca 0.07 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 3bfu h ASP 156 Cb 0.53 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 3bfu h ASP 156 CO 0.03 1.15 0.13 0.50 -2.88 0.00 0.00 179.24 178.17 3bfu h LYS 157 N 0.52 1.04 -0.44 0.28 3.64 -0.81 0.27 116.57 121.07 3bfu h LYS 157 Ca 0.01 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 3bfu h LYS 157 Cb 1.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3bfu h LYS 157 CO 0.11 0.93 0.14 0.52 -2.27 0.00 0.00 179.45 178.89 3bfu h MET 158 N 0.98 0.67 -0.12 1.90 2.86 -0.93 -1.84 114.93 118.45 3bfu h MET 158 Ca 0.20 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3bfu h MET 158 Cb 0.38 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3bfu h MET 158 CO 0.01 0.65 0.05 2.35 1.06 0.00 0.00 176.91 181.02 3bfu h TRP 159 N 0.56 0.18 -0.90 -0.22 -0.00 -0.71 0.51 115.95 115.38 3bfu h TRP 159 Ca 0.14 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.11 3bfu h TRP 159 Cb 0.25 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.16 29.29 3bfu h TRP 159 CO 0.01 0.25 0.58 1.15 -0.00 0.00 0.00 178.44 180.43 3bfu h THR 160 N 0.05 0.98 0.09 2.65 2.02 -0.86 0.13 112.91 117.97 3bfu h THR 160 Ca 0.04 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3bfu h THR 160 Cb 0.14 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3bfu h THR 160 CO -0.00 0.17 -0.04 0.22 0.37 0.00 0.00 175.52 176.23 3bfu h TYR 161 N 0.91 -0.11 -0.62 3.16 3.20 -0.99 -3.23 116.97 119.30 3bfu h TYR 161 Ca 0.41 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.29 3bfu h TYR 161 Cb 0.38 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3bfu h TYR 161 CO -0.00 0.38 0.41 0.52 -1.64 0.00 0.00 178.16 177.83 3bfu h MET 162 N -0.67 0.81 0.00 1.82 2.86 -0.47 -0.88 114.93 118.40 3bfu h MET 162 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3bfu h MET 162 Cb 0.53 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3bfu h MET 162 CO 0.02 0.54 0.00 0.07 1.06 0.00 0.00 176.91 178.60 3bfu h ARG 163 N 0.84 0.00 -0.00 1.72 0.11 -1.11 -3.03 114.38 112.91 3bfu h ARG 163 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 3bfu h ARG 163 Cb -0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.99 3bfu h ARG 163 CO -0.05 0.00 -0.52 0.43 0.10 0.00 0.00 179.97 179.93 3bfu n SER 164 N -2.82 0.92 -4.76 0.08 7.64 -0.99 -5.03 113.62 108.65 3bfu n SER 164 Ca 0.00 -0.96 -0.39 0.00 1.01 0.00 0.00 58.87 58.53 3bfu n SER 164 Cb 0.24 0.82 0.02 0.00 -1.01 0.00 0.00 64.21 64.28 3bfu n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bfu s ALA 165 N -2.08 3.13 -0.13 -0.43 0.00 -0.37 -5.03 121.76 116.85 3bfu s ALA 165 Ca 0.07 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 3bfu s ALA 165 Cb 0.10 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.70 3bfu s ALA 165 CO 0.48 -1.26 0.28 -1.21 0.00 0.00 0.00 175.76 174.06 3bfu s GLU 166 N -2.58 0.20 0.90 0.00 0.41 -1.26 -3.80 118.70 112.57 3bfu s GLU 166 Ca 0.64 0.72 -0.10 0.00 -0.41 0.00 0.00 54.97 55.82 3bfu s GLU 166 Cb -0.43 -0.02 0.14 0.00 -1.78 0.00 0.00 34.13 32.03 3bfu s GLU 166 CO 0.54 -0.24 1.14 -2.14 -0.49 0.00 0.00 175.26 174.08 3bfu s PRO 167 N 2.06 1.15 0.35 0.39 0.02 -1.26 -5.08 135.00 132.63 3bfu s PRO 167 Ca -0.03 1.52 -0.27 0.00 0.02 0.00 0.00 61.00 62.24 3bfu s PRO 167 Cb -0.11 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 3bfu s PRO 167 CO -0.09 -2.53 1.21 0.45 -0.33 0.00 0.00 177.00 175.71 3bfu n SER 168 N -4.14 2.33 -0.42 2.53 2.88 -1.25 -4.91 113.62 110.64 3bfu n SER 168 Ca 0.12 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.95 3bfu n SER 168 Cb 0.52 -1.44 0.05 0.00 -0.75 0.00 0.00 64.21 62.60 3bfu n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3bfu n VAL 169 N 0.19 0.00 -3.20 2.46 0.24 -1.26 -4.95 118.33 111.81 3bfu n VAL 169 Ca 0.06 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.82 3bfu n VAL 169 Cb 0.36 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 3bfu n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3bfu s PHE 170 N -2.53 3.38 0.22 6.34 0.08 -1.26 -3.92 117.98 120.30 3bfu s PHE 170 Ca 0.19 1.14 0.09 0.00 0.12 0.00 0.00 56.93 58.47 3bfu s PHE 170 Cb 0.18 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 3bfu s PHE 170 CO 0.59 0.13 -0.17 0.14 -0.10 0.00 0.00 175.22 175.81 3bfu s VAL 171 N -1.95 1.99 -0.29 -0.44 -7.23 -0.98 -4.87 120.40 106.63 3bfu s VAL 171 Ca 0.53 -2.22 0.23 0.00 -1.81 0.00 0.00 61.98 58.71 3bfu s VAL 171 Cb -0.10 -2.09 0.06 0.00 0.56 0.00 0.00 36.38 34.81 3bfu s VAL 171 CO 0.18 -0.48 1.16 0.03 -0.31 0.00 0.00 175.10 175.69 3bfu h ARG 172 N 2.61 0.00 -4.12 4.82 3.08 -1.95 0.64 114.38 119.45 3bfu h ARG 172 Ca -0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.53 3bfu h ARG 172 Cb 1.23 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.12 3bfu h ARG 172 CO 0.59 0.00 -0.64 0.95 -1.07 0.00 0.00 179.97 179.80 3bfu s THR 173 N -3.33 0.19 0.11 2.04 -4.23 -1.26 -4.77 115.64 104.39 3bfu s THR 173 Ca 0.01 -1.55 -0.20 0.00 -1.18 0.00 0.00 61.69 58.77 3bfu s THR 173 Cb 0.09 -1.25 -0.08 0.00 1.34 0.00 0.00 72.50 72.60 3bfu s THR 173 CO 0.77 -0.86 1.75 0.74 -0.54 0.00 0.00 174.62 176.48 3bfu h THR 174 N 3.40 1.06 -0.98 3.99 2.02 -1.96 -2.48 112.91 117.97 3bfu h THR 174 Ca -0.34 -0.14 0.21 0.00 0.77 0.00 0.00 66.41 66.91 3bfu h THR 174 Cb 1.16 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 68.33 3bfu h THR 174 CO 0.60 0.06 0.62 0.00 0.37 0.00 0.00 175.52 177.17 3bfu h ALA 175 N 1.04 1.94 -0.14 6.16 0.00 -1.96 0.11 119.26 126.40 3bfu h ALA 175 Ca 0.06 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3bfu h ALA 175 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bfu h ALA 175 CO -0.01 -0.30 -0.51 0.93 0.00 0.00 0.00 179.25 179.36 3bfu h GLU 176 N 0.58 0.40 -0.36 0.00 5.08 -1.87 -0.27 114.58 118.15 3bfu h GLU 176 Ca 0.55 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 3bfu h GLU 176 Cb 1.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3bfu h GLU 176 CO -0.31 0.82 -0.21 0.78 -1.00 0.00 0.00 179.01 179.09 3bfu h GLY 177 N 1.22 0.84 0.93 -3.84 0.00 -0.58 -0.59 103.07 101.04 3bfu h GLY 177 Ca 0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 3bfu h GLY 177 CO 0.09 0.70 0.12 -2.08 0.00 0.00 0.00 176.54 175.37 3bfu h VAL 178 N 0.56 1.13 -0.83 4.60 2.07 -0.94 -1.91 116.25 120.92 3bfu h VAL 178 Ca 0.08 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3bfu h VAL 178 Cb 0.76 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3bfu h VAL 178 CO 0.06 0.13 0.52 0.00 0.02 0.00 0.00 177.57 178.30 3bfu h ALA 179 N 0.99 1.35 -0.64 1.67 0.00 -0.94 -1.58 119.26 120.12 3bfu h ALA 179 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3bfu h ALA 179 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3bfu h ALA 179 CO -0.01 0.57 0.18 -0.09 0.00 0.00 0.00 179.25 179.90 3bfu h ARG 180 N 1.13 1.00 0.15 0.00 2.43 -0.76 -1.46 114.38 116.87 3bfu h ARG 180 Ca 0.30 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3bfu h ARG 180 Cb -0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3bfu h ARG 180 CO -0.06 0.89 -0.07 0.28 -1.51 0.00 0.00 179.97 179.50 3bfu h VAL 181 N 0.92 0.88 -0.21 0.20 2.07 -0.88 -2.15 116.25 117.08 3bfu h VAL 181 Ca 0.20 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3bfu h VAL 181 Cb 0.32 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3bfu h VAL 181 CO -0.00 0.02 0.13 0.03 0.02 0.00 0.00 177.57 177.77 3bfu h ARG 182 N -0.25 0.28 -0.16 1.57 3.08 -1.09 -2.95 114.38 114.87 3bfu h ARG 182 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3bfu h ARG 182 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3bfu h ARG 182 CO 0.03 0.20 0.00 0.36 -1.07 0.00 0.00 179.97 179.49 3bfu n LYS 183 N -4.49 2.25 -0.27 0.04 2.85 -0.57 -4.48 118.16 113.48 3bfu n LYS 183 Ca 0.00 -1.99 0.09 0.00 -1.05 0.00 0.00 58.31 55.36 3bfu n LYS 183 Cb 0.08 -1.45 0.25 0.00 -0.65 0.00 0.00 35.03 33.26 3bfu n LYS 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3bfu n SER 184 N 1.32 2.99 -3.95 -5.58 7.64 -0.81 -4.95 113.62 110.28 3bfu n SER 184 Ca 0.15 -1.98 -0.31 0.00 1.01 0.00 0.00 58.87 57.74 3bfu n SER 184 Cb 0.57 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.44 3bfu n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bfu n LYS 185 N 1.14 -5.25 -0.99 1.43 5.02 -1.26 -1.23 118.16 117.02 3bfu n LYS 185 Ca 0.19 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3bfu n LYS 185 Cb 0.48 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 3bfu n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 186 N -1.66 0.49 1.14 0.72 0.00 -1.26 -4.90 105.19 99.72 3bfu n GLY 186 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3bfu n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bfu n LYS 187 N -2.52 2.45 -3.74 1.61 4.76 -0.36 -4.85 118.16 115.51 3bfu n LYS 187 Ca 0.00 -2.23 -0.14 0.00 -2.87 0.00 0.00 58.31 53.07 3bfu n LYS 187 Cb 0.05 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.59 3bfu n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3bfu s TYR 188 N -1.29 -0.16 0.03 2.13 5.04 -1.25 -0.67 117.35 121.18 3bfu s TYR 188 Ca 0.41 0.48 0.07 0.00 -2.44 0.00 0.00 57.07 55.60 3bfu s TYR 188 Cb 0.22 -0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.40 3bfu s TYR 188 CO 0.30 -0.17 -0.20 0.00 -1.34 0.00 0.00 175.55 174.14 3bfu s ALA 189 N 1.26 2.50 -0.10 3.97 0.00 0.10 -4.58 121.76 124.92 3bfu s ALA 189 Ca -0.08 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.73 3bfu s ALA 189 Cb -0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3bfu s ALA 189 CO -0.06 0.56 -0.19 -0.47 0.00 0.00 0.00 175.76 175.60 3bfu s TYR 190 N -0.86 2.65 -0.33 0.00 5.04 -0.57 -2.68 117.35 120.60 3bfu s TYR 190 Ca 0.13 -0.72 -0.13 0.00 -2.44 0.00 0.00 57.07 53.92 3bfu s TYR 190 Cb -0.10 -1.73 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 3bfu s TYR 190 CO 0.04 -0.22 0.27 -0.51 -1.34 0.00 0.00 175.55 173.78 3bfu s LEU 191 N 0.11 4.42 0.28 6.97 1.43 -0.44 -0.58 118.68 130.87 3bfu s LEU 191 Ca -0.09 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3bfu s LEU 191 Cb -0.15 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 3bfu s LEU 191 CO 0.06 -0.23 0.45 -1.48 0.23 0.00 0.00 176.35 175.37 3bfu s LEU 192 N 1.81 0.65 0.29 1.79 2.34 -0.69 -4.41 118.68 120.46 3bfu s LEU 192 Ca 0.08 -1.19 -0.29 0.00 0.06 0.00 0.00 54.13 52.79 3bfu s LEU 192 Cb -0.17 1.53 -0.10 0.00 -0.56 0.00 0.00 46.19 46.90 3bfu s LEU 192 CO 0.11 -1.18 1.27 -1.61 -1.06 0.00 0.00 176.35 173.88 3bfu s GLU 193 N -3.64 4.42 0.36 1.48 2.02 -1.26 -0.13 118.70 121.94 3bfu s GLU 193 Ca 0.27 2.10 0.16 0.00 0.02 0.00 0.00 54.97 57.52 3bfu s GLU 193 Cb 0.00 -3.12 1.08 0.00 0.10 0.00 0.00 34.13 32.19 3bfu s GLU 193 CO 0.13 -0.13 1.70 0.66 0.02 0.00 0.00 175.26 177.65 3bfu h SER 194 N 3.94 0.52 0.10 -0.19 4.64 -0.96 -1.82 113.55 119.77 3bfu h SER 194 Ca -0.47 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3bfu h SER 194 Cb 1.22 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3bfu h SER 194 CO 0.69 -0.03 -0.11 0.71 -0.87 0.00 0.00 176.83 177.22 3bfu h THR 195 N 0.38 0.74 -0.68 2.95 1.35 -1.87 0.25 112.91 116.03 3bfu h THR 195 Ca 0.69 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.47 3bfu h THR 195 Cb 1.62 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 3bfu h THR 195 CO -0.48 0.00 0.11 0.24 -0.25 0.00 0.00 175.52 175.14 3bfu h MET 196 N -0.24 1.13 -0.13 4.72 2.86 -1.72 -2.33 114.93 119.22 3bfu h MET 196 Ca 0.01 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3bfu h MET 196 Cb 0.24 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3bfu h MET 196 CO -0.04 1.03 0.03 -0.97 1.06 0.00 0.00 176.91 178.01 3bfu h ASN 197 N 1.05 0.02 0.23 1.22 -0.73 -0.96 -1.49 115.58 114.92 3bfu h ASN 197 Ca 0.21 0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 3bfu h ASN 197 Cb 0.44 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 3bfu h ASN 197 CO 0.01 0.03 -0.28 -0.33 -0.37 0.00 0.00 177.43 176.50 3bfu h GLU 198 N 0.08 0.09 -0.08 6.67 5.08 -0.43 -1.58 114.58 124.40 3bfu h GLU 198 Ca 0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3bfu h GLU 198 Cb 0.04 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bfu h GLU 198 CO -0.07 0.36 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.31 3bfu h TYR 199 N 0.08 0.24 -0.70 4.33 3.20 -1.03 -3.22 116.97 119.88 3bfu h TYR 199 Ca 0.01 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 3bfu h TYR 199 Cb 0.54 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3bfu h TYR 199 CO 0.00 0.62 0.37 0.82 -1.64 0.00 0.00 178.16 178.33 3bfu h ILE 200 N -0.21 1.21 0.00 1.81 1.08 -1.08 -2.01 117.51 118.31 3bfu h ILE 200 Ca 0.01 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3bfu h ILE 200 Cb 0.58 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3bfu h ILE 200 CO 0.02 0.24 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.64 3bfu h GLU 201 N 0.98 0.00 -0.51 2.37 4.81 -1.30 -1.25 114.58 119.67 3bfu h GLU 201 Ca 0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3bfu h GLU 201 Cb 0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3bfu h GLU 201 CO -0.04 0.00 0.06 1.04 -0.73 0.00 0.00 179.01 179.34 3bfu n GLN 202 N -3.26 3.95 -4.84 1.92 1.13 -0.76 -4.82 117.38 110.69 3bfu n GLN 202 Ca -0.03 -3.06 -0.28 0.00 -1.94 0.00 0.00 57.00 51.69 3bfu n GLN 202 Cb 0.08 -2.12 -0.15 0.00 0.11 0.00 0.00 30.24 28.17 3bfu n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3bfu s ARG 203 N -2.86 1.63 0.70 -1.09 1.81 -0.47 -0.16 118.95 118.50 3bfu s ARG 203 Ca 0.51 -0.97 -0.16 0.00 -1.72 0.00 0.00 55.73 53.39 3bfu s ARG 203 Cb 0.40 -1.73 0.02 0.00 -0.45 0.00 0.00 34.95 33.19 3bfu s ARG 203 CO 0.13 0.45 1.24 0.15 -0.68 0.00 0.00 175.30 176.59 3bfu s LYS 204 N -1.05 2.27 0.00 3.54 1.02 -1.26 -0.76 119.74 123.50 3bfu s LYS 204 Ca 0.09 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.97 3bfu s LYS 204 Cb -0.09 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3bfu s LYS 204 CO 0.01 -1.77 0.57 -0.35 -0.92 0.00 0.00 175.35 172.89 3bfu n PRO 205 N -2.42 0.83 -3.81 -1.68 -0.04 -1.26 -4.95 135.00 121.68 3bfu n PRO 205 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 3bfu n PRO 205 Cb 0.49 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.72 3bfu n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bfu n ASP 207 N -2.93 2.81 -4.57 0.00 5.75 -1.26 -5.00 116.55 111.34 3bfu n ASP 207 Ca -0.08 -1.96 -0.24 0.00 -0.01 0.00 0.00 54.79 52.50 3bfu n ASP 207 Cb 0.58 -0.20 -0.09 0.00 -1.03 0.00 0.00 41.12 40.38 3bfu n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3bfu s THR 208 N -0.99 2.91 -0.08 2.12 -4.23 -1.26 -0.61 115.64 113.50 3bfu s THR 208 Ca 0.21 -2.12 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3bfu s THR 208 Cb 0.11 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.36 3bfu s THR 208 CO 0.15 -0.35 0.34 -0.32 -0.54 0.00 0.00 174.62 173.90 3bfu s MET 209 N -3.62 0.53 -0.23 3.99 1.75 -0.59 -4.75 119.30 116.39 3bfu s MET 209 Ca 0.31 0.21 -0.19 0.00 -1.25 0.00 0.00 55.69 54.77 3bfu s MET 209 Cb -0.05 0.25 -0.03 0.00 2.84 0.00 0.00 34.83 37.84 3bfu s MET 209 CO 0.18 -0.11 0.55 0.21 -0.65 0.00 0.00 175.02 175.20 3bfu s LYS 210 N -0.46 4.13 -0.02 4.11 2.20 -1.26 -1.61 119.74 126.84 3bfu s LYS 210 Ca -0.06 0.43 0.06 0.00 -0.36 0.00 0.00 55.97 56.05 3bfu s LYS 210 Cb -0.04 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3bfu s LYS 210 CO 0.02 -0.29 -0.20 0.14 -0.36 0.00 0.00 175.35 174.67 3bfu s VAL 211 N 2.09 2.60 0.03 4.02 -7.23 -0.84 -5.03 120.40 116.04 3bfu s VAL 211 Ca 0.24 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3bfu s VAL 211 Cb -0.16 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3bfu s VAL 211 CO 0.09 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 3bfu n GLY 212 N 2.18 -1.66 3.94 2.32 0.00 -1.23 -4.15 105.19 106.59 3bfu n GLY 212 Ca -0.17 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 3bfu n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bfu s GLY 213 N -3.78 1.72 0.46 -0.02 0.00 -1.26 -4.92 107.32 99.52 3bfu s GLY 213 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 44.72 43.36 3bfu s GLY 213 CO 0.00 -0.57 1.07 -1.31 0.00 0.00 0.00 173.10 172.28 3bfu s ASN 214 N -4.69 6.38 0.44 1.64 0.02 -1.26 -4.83 114.94 112.64 3bfu s ASN 214 Ca 0.66 2.03 0.24 0.00 -1.02 0.00 0.00 52.86 54.77 3bfu s ASN 214 Cb -0.07 -2.57 0.46 0.00 0.02 0.00 0.00 41.25 39.08 3bfu s ASN 214 CO 0.48 -0.76 1.65 -0.07 0.02 0.00 0.00 177.10 178.42 3bfu h LEU 215 N 1.86 0.00 0.00 0.60 4.07 -0.69 -3.48 115.31 117.67 3bfu h LEU 215 Ca -0.49 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.34 3bfu h LEU 215 Cb 1.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.94 3bfu h LEU 215 CO 0.60 0.05 0.03 -0.90 -1.08 0.00 0.00 178.44 177.14 3bfu n ASP 216 N -3.12 -1.29 -3.62 -0.43 5.75 -1.26 -4.92 116.55 107.66 3bfu n ASP 216 Ca 0.03 -2.28 -0.20 0.00 -0.01 0.00 0.00 54.79 52.33 3bfu n ASP 216 Cb 0.52 2.26 -0.16 0.00 -1.03 0.00 0.00 41.12 42.71 3bfu n ASP 216 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3bfu s SER 217 N -2.54 1.31 0.00 -1.12 0.15 -1.26 -4.24 113.70 106.00 3bfu s SER 217 Ca 0.17 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.78 3bfu s SER 217 Cb -0.02 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3bfu s SER 217 CO 0.12 -0.29 0.00 2.29 1.20 0.00 0.00 173.24 176.57 3bfu n LYS 218 N 5.31 0.00 -3.92 5.44 2.85 -0.44 -5.03 118.16 122.37 3bfu n LYS 218 Ca -0.05 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.13 3bfu n LYS 218 Cb 0.50 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 3bfu n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3bfu s GLY 219 N -0.06 0.22 -0.01 2.58 0.00 -1.26 -1.94 107.32 106.86 3bfu s GLY 219 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 3bfu s GLY 219 CO 0.00 -0.34 0.22 -0.19 0.00 0.00 0.00 173.10 172.78 3bfu s TYR 220 N -3.92 3.56 0.05 1.90 2.02 -0.42 -1.61 117.35 118.94 3bfu s TYR 220 Ca 0.16 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 3bfu s TYR 220 Cb -0.04 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3bfu s TYR 220 CO 0.08 0.63 -0.05 0.20 -1.57 0.00 0.00 175.55 174.85 3bfu s GLY 221 N -1.80 0.51 -0.03 0.71 0.00 -0.87 -1.08 107.32 104.75 3bfu s GLY 221 Ca 0.27 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 3bfu s GLY 221 CO 0.17 -1.12 0.83 -0.42 0.00 0.00 0.00 173.10 172.56 3bfu s ILE 222 N -2.84 4.96 0.04 0.90 1.01 -1.26 -4.53 121.20 119.48 3bfu s ILE 222 Ca 0.00 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.43 3bfu s ILE 222 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3bfu s ILE 222 CO -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 174.94 175.07 3bfu s ALA 223 N 0.89 3.18 0.09 9.38 0.00 -0.77 -0.84 121.76 133.68 3bfu s ALA 223 Ca 0.44 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 3bfu s ALA 223 Cb -0.19 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3bfu s ALA 223 CO 0.23 0.66 -0.02 0.95 0.00 0.00 0.00 175.76 177.57 3bfu s THR 224 N -1.16 0.36 0.64 0.00 -4.23 -0.52 -0.20 115.64 110.52 3bfu s THR 224 Ca 0.21 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 3bfu s THR 224 Cb -0.11 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 3bfu s THR 224 CO 0.13 -0.84 1.24 -2.84 -0.54 0.00 0.00 174.62 171.77 3bfu s PRO 225 N -3.92 2.67 0.15 3.99 0.02 -1.26 -1.09 135.00 135.56 3bfu s PRO 225 Ca 0.12 1.90 -0.33 0.00 0.02 0.00 0.00 61.00 62.71 3bfu s PRO 225 Cb 0.07 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.58 3bfu s PRO 225 CO -0.06 -1.46 1.70 1.17 -0.33 0.00 0.00 177.00 178.02 3bfu n LYS 226 N -1.91 2.50 -0.68 5.54 4.81 -1.26 -1.44 118.16 125.72 3bfu n LYS 226 Ca 0.14 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 3bfu n LYS 226 Cb 0.49 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.81 3bfu n LYS 226 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bfu n GLY 227 N 3.84 0.80 3.74 3.14 0.00 -1.26 -5.01 105.19 110.44 3bfu n GLY 227 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3bfu n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bfu s SER 228 N -2.78 6.37 0.00 1.61 0.15 -0.52 -4.84 113.70 113.68 3bfu s SER 228 Ca 0.00 2.93 0.15 0.00 0.70 0.00 0.00 55.95 59.73 3bfu s SER 228 Cb 0.00 -2.62 0.79 0.00 -1.71 0.00 0.00 66.02 62.47 3bfu s SER 228 CO 0.00 -0.94 1.39 -1.54 1.20 0.00 0.00 173.24 173.35 3bfu n SER 229 N 2.80 0.00 0.06 5.45 3.41 -1.26 -2.23 113.62 121.85 3bfu n SER 229 Ca 0.11 -0.05 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 3bfu n SER 229 Cb 0.37 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 3bfu n SER 229 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3bfu h LEU 230 N 0.00 0.00 -0.21 1.04 5.85 -1.96 -3.41 115.31 116.62 3bfu h LEU 230 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3bfu h LEU 230 Cb 0.11 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3bfu h LEU 230 CO 0.00 0.39 -0.45 1.23 -0.34 0.00 0.00 178.44 179.28 3bfu h GLY 231 N 3.79 -0.74 0.45 3.75 0.00 -1.82 -2.26 103.07 106.23 3bfu h GLY 231 Ca -0.10 0.56 0.05 0.00 0.00 0.00 0.00 47.33 47.84 3bfu h GLY 231 CO 0.03 -0.20 -0.11 -0.57 0.00 0.00 0.00 176.54 175.69 3bfu h ASN 232 N -0.46 -0.37 -0.45 0.19 -0.73 -1.80 -1.03 115.58 110.93 3bfu h ASN 232 Ca 0.08 0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.35 3bfu h ASN 232 Cb 0.62 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.39 3bfu h ASN 232 CO -0.46 -0.15 0.30 0.00 -0.37 0.00 0.00 177.43 176.75 3bfu h ALA 233 N 1.07 0.57 -0.64 1.57 0.00 -1.79 -2.21 119.26 117.83 3bfu h ALA 233 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3bfu h ALA 233 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3bfu h ALA 233 CO -0.26 0.02 0.41 0.28 0.00 0.00 0.00 179.25 179.69 3bfu h VAL 234 N 0.61 1.18 -0.66 0.00 2.07 -1.14 -0.76 116.25 117.54 3bfu h VAL 234 Ca 0.17 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3bfu h VAL 234 Cb -0.06 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 3bfu h VAL 234 CO -0.04 0.18 0.42 -1.13 0.02 0.00 0.00 177.57 177.01 3bfu h ASN 235 N 0.87 0.69 0.17 0.57 -1.24 -0.88 -0.92 115.58 114.83 3bfu h ASN 235 Ca 0.23 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.12 3bfu h ASN 235 Cb -0.06 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 3bfu h ASN 235 CO -0.05 0.49 -0.43 -0.07 -1.29 0.00 0.00 177.43 176.08 3bfu h LEU 236 N 0.83 0.35 -0.42 0.34 3.38 -1.07 -2.66 115.31 116.06 3bfu h LEU 236 Ca 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3bfu h LEU 236 Cb -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3bfu h LEU 236 CO -0.09 0.74 0.16 0.00 0.09 0.00 0.00 178.44 179.33 3bfu h ALA 237 N 1.28 0.55 -0.26 1.53 0.00 -0.35 -1.13 119.26 120.87 3bfu h ALA 237 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3bfu h ALA 237 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3bfu h ALA 237 CO 0.07 0.17 0.11 0.28 0.00 0.00 0.00 179.25 179.88 3bfu h VAL 238 N 0.53 0.97 -0.28 0.00 2.07 -1.05 0.87 116.25 119.36 3bfu h VAL 238 Ca 0.14 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3bfu h VAL 238 Cb 0.22 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3bfu h VAL 238 CO -0.01 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.69 3bfu h LEU 239 N 0.24 0.20 -0.65 2.57 3.38 -1.29 -1.43 115.31 118.34 3bfu h LEU 239 Ca 0.11 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3bfu h LEU 239 Cb 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3bfu h LEU 239 CO -0.09 0.15 0.43 0.50 0.09 0.00 0.00 178.44 179.52 3bfu h LYS 240 N 0.29 0.84 -0.40 1.13 3.64 -0.79 -1.22 116.57 120.05 3bfu h LYS 240 Ca 0.12 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3bfu h LYS 240 Cb 0.04 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3bfu h LYS 240 CO -0.08 0.55 0.08 -0.07 -2.27 0.00 0.00 179.45 177.66 3bfu h LEU 241 N 0.86 0.56 -0.04 5.20 3.38 -0.52 -0.66 115.31 124.10 3bfu h LEU 241 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3bfu h LEU 241 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3bfu h LEU 241 CO -0.06 0.57 -0.13 -1.13 0.09 0.00 0.00 178.44 177.78 3bfu h ASN 242 N 0.59 0.18 -0.01 -0.43 -1.24 -0.84 -0.67 115.58 113.16 3bfu h ASN 242 Ca 0.13 -0.63 0.00 0.00 0.71 0.00 0.00 56.30 56.52 3bfu h ASN 242 Cb 0.25 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 3bfu h ASN 242 CO -0.00 0.77 0.01 -0.33 -1.29 0.00 0.00 177.43 176.59 3bfu h GLU 243 N -0.41 0.00 -0.00 6.67 5.08 -1.01 0.21 114.58 125.12 3bfu h GLU 243 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bfu h GLU 243 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3bfu h GLU 243 CO 0.03 0.00 -0.07 1.04 -1.00 0.00 0.00 179.01 179.00 3bfu n GLN 244 N -4.22 0.47 -0.96 2.33 6.02 -0.27 -4.91 117.38 115.83 3bfu n GLN 244 Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3bfu n GLN 244 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3bfu n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bfu n GLY 245 N 1.32 0.51 0.24 1.08 0.00 0.75 -4.94 105.19 104.14 3bfu n GLY 245 Ca 0.13 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3bfu n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bfu h LEU 246 N 0.00 0.93 -0.86 0.99 6.46 -1.30 -2.65 115.31 118.88 3bfu h LEU 246 Ca 0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 3bfu h LEU 246 Cb 0.00 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.62 3bfu h LEU 246 CO 0.00 1.30 0.55 -0.07 -0.62 0.00 0.00 178.44 179.60 3bfu h LEU 247 N 0.60 1.00 -0.74 2.25 3.38 -1.82 -0.59 115.31 119.40 3bfu h LEU 247 Ca 0.01 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3bfu h LEU 247 Cb 1.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3bfu h LEU 247 CO 0.12 0.75 -0.43 0.44 0.09 0.00 0.00 178.44 179.40 3bfu h ASP 248 N 1.17 0.46 -0.44 -0.43 3.32 -1.88 -1.91 116.42 116.72 3bfu h ASP 248 Ca 0.31 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3bfu h ASP 248 Cb -0.10 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3bfu h ASP 248 CO -0.06 0.84 0.05 0.50 -1.72 0.00 0.00 179.24 178.84 3bfu h LYS 249 N 0.36 0.74 -0.73 3.56 3.64 -1.05 -2.17 116.57 120.92 3bfu h LYS 249 Ca 0.03 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3bfu h LYS 249 Cb 0.91 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3bfu h LYS 249 CO 0.08 0.78 0.36 -0.07 -2.27 0.00 0.00 179.45 178.33 3bfu h LEU 250 N 0.59 0.94 -0.53 5.20 3.38 -0.93 -0.61 115.31 123.36 3bfu h LEU 250 Ca 0.13 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3bfu h LEU 250 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3bfu h LEU 250 CO 0.01 0.79 0.01 0.50 0.09 0.00 0.00 178.44 179.84 3bfu h LYS 251 N 1.04 0.93 -0.32 1.13 3.64 -1.09 -2.29 116.57 119.61 3bfu h LYS 251 Ca 0.25 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3bfu h LYS 251 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3bfu h LYS 251 CO -0.03 0.94 -0.15 -0.91 -2.27 0.00 0.00 179.45 177.03 3bfu h ASN 252 N 0.80 0.54 -0.08 4.20 2.35 -1.06 -0.57 115.58 121.76 3bfu h ASN 252 Ca 0.15 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bfu h ASN 252 Cb 0.52 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3bfu h ASN 252 CO 0.03 0.71 0.05 0.50 -1.65 0.00 0.00 177.43 177.07 3bfu h LYS 253 N 0.51 0.12 -0.00 0.81 3.64 -0.74 0.46 116.57 121.36 3bfu h LYS 253 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3bfu h LYS 253 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3bfu h LYS 253 CO 0.03 0.12 -0.54 0.91 -2.27 0.00 0.00 179.45 177.71 3bfu n TRP 254 N -5.01 0.00 -0.07 1.91 7.02 -0.90 -4.24 117.44 116.16 3bfu n TRP 254 Ca -0.06 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.31 3bfu n TRP 254 Cb 0.05 -0.14 -0.04 0.00 -2.42 0.00 0.00 31.31 28.76 3bfu n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3bfu n TRP 255 N -1.11 0.00 -0.08 -5.99 8.01 -0.23 -4.84 117.44 113.19 3bfu n TRP 255 Ca 0.07 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.16 3bfu n TRP 255 Cb 0.35 -0.48 -0.08 0.00 -2.01 0.00 0.00 31.31 29.09 3bfu n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3bfu n TYR 256 N -4.07 0.00 -0.35 -5.99 4.01 -0.92 -4.29 117.16 105.55 3bfu n TYR 256 Ca -0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 3bfu n TYR 256 Cb 0.52 -0.65 0.04 0.00 -0.31 0.00 0.00 39.34 38.94 3bfu n TYR 256 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3bfu n ASP 257 N -2.91 -0.58 -1.93 7.72 9.92 0.16 -0.35 116.55 128.57 3bfu n ASP 257 Ca -0.28 1.60 -0.23 0.00 -0.53 0.00 0.00 54.79 55.35 3bfu n ASP 257 Cb 0.84 -0.37 0.10 0.00 -0.64 0.00 0.00 41.12 41.04 3bfu n ASP 257 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bfu n LYS 258 N -5.36 2.73 -1.63 -1.24 5.02 -1.26 -5.03 118.16 111.39 3bfu n LYS 258 Ca 0.10 -3.53 -0.39 0.00 -2.02 0.00 0.00 58.31 52.48 3bfu n LYS 258 Cb 0.37 -2.16 0.04 0.00 -0.02 0.00 0.00 35.03 33.27 3bfu n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 259 N -0.93 -0.12 0.80 0.72 0.00 0.52 -4.92 105.19 101.27 3bfu n GLY 259 Ca 0.49 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3bfu n GLY 259 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bfu n GLU 260 N -0.76 2.00 -1.07 1.61 1.02 0.77 -4.52 120.64 119.69 3bfu n GLU 260 Ca 0.12 -1.88 -0.07 0.00 -0.02 0.00 0.00 57.16 55.31 3bfu n GLU 260 Cb 0.45 -1.36 0.15 0.00 -0.02 0.00 0.00 31.44 30.66 3bfu n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bfu n GLY 262 N -1.01 -0.96 0.00 0.00 0.00 -1.26 -5.08 105.19 96.88 3bfu n GLY 262 Ca 0.33 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3bfu n GLY 262 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76