#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfu s ALA 2 N 0.00 1.75 0.63 4.61 0.00 -1.26 -4.97 121.76 122.52 3bfu s ALA 2 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 3bfu s ALA 2 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3bfu s ALA 2 CO 0.00 -2.17 1.17 0.09 0.00 0.00 0.00 175.76 174.85 3bfu n ASN 3 N -3.76 1.62 -4.10 0.00 3.02 -1.26 -5.03 115.26 105.75 3bfu n ASN 3 Ca 0.07 0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 55.35 3bfu n ASN 3 Cb 0.55 -1.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.12 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 -3.11 0.64 0.09 3.52 2.47 -1.26 -5.11 119.74 116.98 3bfu s LYS 4 Ca 0.79 -1.06 -0.31 0.00 -1.56 0.00 0.00 55.97 53.83 3bfu s LYS 4 Cb -0.40 -0.11 -0.09 0.00 -1.46 0.00 0.00 37.83 35.77 3bfu s LYS 4 CO 0.43 -0.02 1.77 0.99 0.16 0.00 0.00 175.35 178.68 3bfu s THR 5 N -2.80 2.79 -0.09 3.43 2.01 -1.26 -4.71 115.64 115.01 3bfu s THR 5 Ca 0.01 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 3bfu s THR 5 Cb -0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3bfu s THR 5 CO -0.04 -0.00 1.01 -0.69 -0.69 0.00 0.00 174.62 174.21 3bfu s VAL 6 N 2.85 4.76 -0.38 3.82 1.01 0.11 -4.88 120.40 127.68 3bfu s VAL 6 Ca 0.78 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 64.55 3bfu s VAL 6 Cb -0.43 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.66 3bfu s VAL 6 CO 0.35 0.02 0.79 -0.69 0.00 0.00 0.00 175.10 175.57 3bfu s VAL 7 N 1.89 4.70 -0.25 2.92 1.01 -1.26 -1.35 120.40 128.06 3bfu s VAL 7 Ca 0.49 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 3bfu s VAL 7 Cb -0.19 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3bfu s VAL 7 CO 0.19 -0.50 0.19 -0.69 0.00 0.00 0.00 175.10 174.29 3bfu s VAL 8 N 3.17 5.33 -0.13 2.92 1.01 -0.34 -0.52 120.40 131.85 3bfu s VAL 8 Ca 0.31 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 3bfu s VAL 8 Cb -0.13 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3bfu s VAL 8 CO 0.18 0.30 0.26 0.28 0.00 0.00 0.00 175.10 176.12 3bfu s THR 9 N 1.34 5.32 0.30 3.92 -1.32 0.37 -0.59 115.64 124.97 3bfu s THR 9 Ca 0.08 0.47 0.01 0.00 -1.21 0.00 0.00 61.69 61.04 3bfu s THR 9 Cb -0.14 -3.57 -0.00 0.00 -1.51 0.00 0.00 72.50 67.28 3bfu s THR 9 CO 0.07 0.49 0.38 1.07 -2.21 0.00 0.00 174.62 174.41 3bfu n THR 10 N 2.84 0.00 -4.15 5.08 5.66 -0.71 -2.40 114.28 120.60 3bfu n THR 10 Ca -0.15 -1.68 -0.15 0.00 -3.05 0.00 0.00 64.05 59.02 3bfu n THR 10 Cb 0.53 0.97 -0.13 0.00 -1.55 0.00 0.00 70.33 70.15 3bfu n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3bfu s ILE 11 N -2.87 0.58 -0.78 1.09 2.07 -1.26 -0.70 121.20 119.33 3bfu s ILE 11 Ca 0.27 -0.73 -0.26 0.00 -1.41 0.00 0.00 60.65 58.53 3bfu s ILE 11 Cb -0.00 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 42.03 3bfu s ILE 11 CO 0.20 -0.13 1.54 -0.76 -1.91 0.00 0.00 174.94 173.88 3bfu s LEU 12 N -0.94 3.26 -0.13 8.50 1.43 -1.26 -4.30 118.68 125.23 3bfu s LEU 12 Ca -0.04 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3bfu s LEU 12 Cb -0.07 -2.55 0.06 0.00 0.03 0.00 0.00 46.19 43.66 3bfu s LEU 12 CO 0.00 -2.02 0.17 -0.70 0.23 0.00 0.00 176.35 174.04 3bfu s GLU 13 N 6.08 0.09 0.34 1.70 2.56 -0.91 -4.99 118.70 123.56 3bfu s GLU 13 Ca 0.49 0.39 -0.28 0.00 0.00 0.00 0.00 54.97 55.58 3bfu s GLU 13 Cb -0.08 -0.72 -0.09 0.00 2.00 0.00 0.00 34.13 35.24 3bfu s GLU 13 CO 0.10 -0.45 1.20 -1.12 -0.56 0.00 0.00 175.26 174.42 3bfu s SER 14 N 2.29 6.83 -0.32 -1.70 0.01 -1.26 -0.17 113.70 119.38 3bfu s SER 14 Ca 0.04 2.44 0.10 0.00 1.31 0.00 0.00 55.95 59.84 3bfu s SER 14 Cb -0.14 -2.63 0.71 0.00 0.21 0.00 0.00 66.02 64.17 3bfu s SER 14 CO -0.08 -0.46 1.76 -0.81 0.41 0.00 0.00 173.24 174.06 3bfu n PRO 15 N 0.66 3.38 0.05 12.44 -0.04 -1.26 -4.92 135.00 145.32 3bfu n PRO 15 Ca 0.01 -3.08 -0.12 0.00 -0.04 0.00 0.00 63.50 60.27 3bfu n PRO 15 Cb 0.44 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 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 2.31 -0.17 -3.25 0.54 0.05 -0.89 -0.98 116.97 114.58 3bfu h TYR 16 Ca 0.28 -0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.68 3bfu h TYR 16 Cb 2.26 0.06 -0.39 0.00 1.01 0.00 0.00 36.73 39.67 3bfu h TYR 16 CO 1.24 0.26 -0.73 0.08 -1.05 0.00 0.00 178.16 177.96 3bfu s VAL 17 N -4.02 -0.13 0.08 -2.88 1.01 -0.72 -0.89 120.40 112.85 3bfu s VAL 17 Ca -0.14 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.20 3bfu s VAL 17 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3bfu s VAL 17 CO 0.57 0.12 -0.08 -0.04 0.00 0.00 0.00 175.10 175.67 3bfu s MET 18 N 2.18 0.72 0.02 2.72 -1.94 0.56 -2.15 119.30 121.41 3bfu s MET 18 Ca 0.04 -1.09 -0.30 0.00 -1.71 0.00 0.00 55.69 52.63 3bfu s MET 18 Cb -0.13 -0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 3bfu s MET 18 CO -0.04 0.03 1.07 -1.64 -0.01 0.00 0.00 175.02 174.43 3bfu s MET 19 N -2.81 4.50 0.80 2.03 -1.94 -1.26 -1.16 119.30 119.46 3bfu s MET 19 Ca 0.03 1.56 -0.13 0.00 -1.71 0.00 0.00 55.69 55.44 3bfu s MET 19 Cb -0.02 -3.43 0.08 0.00 2.01 0.00 0.00 34.83 33.48 3bfu s MET 19 CO -0.02 -0.16 1.18 0.15 -0.01 0.00 0.00 175.02 176.17 3bfu s LYS 20 N 1.12 1.72 0.43 2.03 1.02 -0.34 -4.87 119.74 120.86 3bfu s LYS 20 Ca 0.55 1.67 0.12 0.00 0.02 0.00 0.00 55.97 58.33 3bfu s LYS 20 Cb -0.24 -1.79 0.99 0.00 -0.52 0.00 0.00 37.83 36.27 3bfu s LYS 20 CO 0.28 -2.13 2.00 1.57 -0.92 0.00 0.00 175.35 176.15 3bfu h LYS 21 N -0.91 0.42 -0.60 1.68 2.10 -1.95 -1.86 116.57 115.46 3bfu h LYS 21 Ca -0.46 -0.03 -0.31 0.00 -2.00 0.00 0.00 60.65 57.85 3bfu h LYS 21 Cb 1.28 -0.10 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 3bfu h LYS 21 CO 0.47 0.28 0.18 0.27 -2.00 0.00 0.00 179.45 178.65 3bfu n ASN 22 N -4.47 3.01 0.11 7.07 6.94 -1.26 -4.70 115.26 121.96 3bfu n ASN 22 Ca 0.08 -3.73 0.10 0.00 -0.02 0.00 0.00 54.58 51.00 3bfu n ASN 22 Cb 0.29 -0.71 0.59 0.00 -2.36 0.00 0.00 39.78 37.58 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 1.03 0.16 -0.10 -2.53 2.07 -1.60 -1.72 115.15 112.46 3bfu h HIS 23 Ca 0.38 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.93 3bfu h HIS 23 Cb 2.08 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 32.00 3bfu h HIS 23 CO 1.25 0.09 0.20 1.05 -3.07 0.00 0.00 177.93 177.46 3bfu h GLU 24 N 0.17 0.00 -0.12 5.12 9.09 -1.84 0.63 114.58 127.62 3bfu h GLU 24 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 3bfu h GLU 24 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3bfu h GLU 24 CO -0.02 0.00 0.00 -1.33 0.05 0.00 0.00 179.01 177.71 3bfu n MET 25 N -3.37 2.07 -4.59 1.06 2.81 -0.65 -4.98 117.12 109.48 3bfu n MET 25 Ca -0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 57.70 53.70 3bfu n MET 25 Cb 0.30 -1.42 -0.09 0.00 -0.71 0.00 0.00 33.22 31.29 3bfu n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bfu s LEU 26 N -1.65 2.65 0.21 4.03 1.43 0.21 -5.16 118.68 120.41 3bfu s LEU 26 Ca 0.28 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.81 3bfu s LEU 26 Cb 0.19 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 3bfu s LEU 26 CO 0.27 -0.66 0.40 -1.83 0.23 0.00 0.00 176.35 174.76 3bfu s GLU 27 N -3.83 1.38 3.27 1.70 -1.05 -1.26 -4.85 118.70 114.06 3bfu s GLU 27 Ca 0.23 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.84 3bfu s GLU 27 Cb 0.05 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3bfu s GLU 27 CO 0.12 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.19 3bfu n GLY 28 N -0.32 0.20 0.27 -3.83 0.00 -1.26 -3.29 105.19 96.96 3bfu n GLY 28 Ca -0.04 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 6.39 0.00 0.20 1.61 2.35 -1.93 -2.94 115.58 121.26 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 0.11 0.00 -0.62 -1.65 0.00 0.00 177.43 175.27 3bfu n GLU 30 N -3.48 0.22 0.18 0.81 -0.58 -1.21 -2.27 120.64 114.32 3bfu n GLU 30 Ca -0.01 0.14 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 3bfu n GLU 30 Cb 0.26 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.81 3bfu n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bfu h ARG 31 N 0.00 0.00 -6.19 3.49 3.08 -1.66 -3.46 114.38 109.64 3bfu h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3bfu h ARG 31 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3bfu h ARG 31 CO 0.00 0.32 -0.55 0.71 -1.07 0.00 0.00 179.97 179.38 3bfu s TYR 32 N -3.20 3.16 0.12 3.04 2.02 -0.96 -1.20 117.35 120.33 3bfu s TYR 32 Ca 0.04 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.58 3bfu s TYR 32 Cb 0.08 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3bfu s TYR 32 CO 0.70 0.52 0.31 -1.83 -1.57 0.00 0.00 175.55 173.67 3bfu s GLU 33 N -3.26 1.01 0.00 -0.62 -1.05 -0.31 -4.83 118.70 109.64 3bfu s GLU 33 Ca 0.31 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 3bfu s GLU 33 Cb -0.10 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3bfu s GLU 33 CO 0.24 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.49 3bfu n GLY 34 N -0.16 2.03 0.21 -3.83 0.00 -1.26 -0.32 105.19 101.85 3bfu n GLY 34 Ca -0.14 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.39 0.00 1.61 3.20 -0.84 -0.46 116.97 120.09 3bfu h TYR 35 Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3bfu h TYR 35 Cb 0.00 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3bfu h TYR 35 CO 0.00 -0.23 -0.28 0.00 -1.64 0.00 0.00 178.16 176.01 3bfu h VAL 37 N 0.00 1.27 -0.33 0.00 2.07 -1.33 0.45 116.25 118.38 3bfu h VAL 37 Ca -0.00 -1.48 -0.14 0.00 0.82 0.00 0.00 66.70 65.89 3bfu h VAL 37 Cb 0.85 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3bfu h VAL 37 CO 0.04 0.50 -0.35 0.44 0.02 0.00 0.00 177.57 178.22 3bfu h ASP 38 N 0.81 0.88 -0.50 0.57 3.32 -0.75 -2.72 116.42 118.03 3bfu h ASP 38 Ca 0.08 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3bfu h ASP 38 Cb 0.90 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3bfu h ASP 38 CO 0.08 1.18 0.13 0.25 -1.72 0.00 0.00 179.24 179.16 3bfu h LEU 39 N 0.60 0.75 -0.71 1.55 5.85 -0.84 -1.82 115.31 120.68 3bfu h LEU 39 Ca 0.05 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3bfu h LEU 39 Cb 0.94 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3bfu h LEU 39 CO 0.09 0.78 0.38 0.00 -0.34 0.00 0.00 178.44 179.35 3bfu h ALA 40 N 1.00 0.97 -0.42 1.25 0.00 -0.88 0.95 119.26 122.12 3bfu h ALA 40 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bfu h ALA 40 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3bfu h ALA 40 CO 0.00 0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.54 3bfu h ALA 41 N 1.39 0.53 -0.50 0.00 0.00 -1.13 -1.04 119.26 118.51 3bfu h ALA 41 Ca 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3bfu h ALA 41 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3bfu h ALA 41 CO -0.22 0.00 0.10 0.93 0.00 0.00 0.00 179.25 180.06 3bfu h GLU 42 N 0.56 0.82 -0.15 0.00 4.39 -0.51 -1.62 114.58 118.06 3bfu h GLU 42 Ca 0.15 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3bfu h GLU 42 Cb -0.04 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3bfu h GLU 42 CO -0.03 0.80 0.07 0.82 -1.16 0.00 0.00 179.01 179.52 3bfu h ILE 43 N 0.70 1.13 -0.96 3.13 2.04 -0.66 -1.46 117.51 121.43 3bfu h ILE 43 Ca 0.15 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3bfu h ILE 43 Cb 0.37 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3bfu h ILE 43 CO 0.01 0.12 0.63 0.00 0.00 0.00 0.00 178.15 178.90 3bfu h ALA 44 N 0.94 1.22 0.07 1.87 0.00 -1.12 0.21 119.26 122.45 3bfu h ALA 44 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bfu h ALA 44 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bfu h ALA 44 CO -0.01 0.62 -0.03 -0.22 0.00 0.00 0.00 179.25 179.61 3bfu h LYS 45 N 1.30 -0.09 -0.05 0.00 3.64 -1.06 0.25 116.57 120.56 3bfu h LYS 45 Ca 0.35 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3bfu h LYS 45 Cb -0.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3bfu h LYS 45 CO -0.07 -0.02 -0.45 0.45 -2.27 0.00 0.00 179.45 177.09 3bfu h HIS 46 N -0.14 0.15 0.00 1.91 3.86 -0.87 -3.10 115.15 116.96 3bfu h HIS 46 Ca -0.01 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3bfu h HIS 46 Cb 0.11 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3bfu h HIS 46 CO -0.06 0.55 -0.66 0.00 0.86 0.00 0.00 177.93 178.62 3bfu n GLY 48 N 1.46 0.07 3.17 0.00 0.00 0.84 -5.04 105.19 105.68 3bfu n GLY 48 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.16 0.17 0.14 1.61 -0.12 -0.84 -5.06 117.98 110.72 3bfu s PHE 49 Ca 0.06 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.46 3bfu s PHE 49 Cb -0.01 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 3bfu s PHE 49 CO 0.32 -0.45 0.14 0.15 -0.05 0.00 0.00 175.22 175.33 3bfu s LYS 50 N -3.20 2.97 0.14 1.99 1.02 -1.26 -4.60 119.74 116.79 3bfu s LYS 50 Ca -0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 3bfu s LYS 50 Cb 0.02 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3bfu s LYS 50 CO -0.07 0.51 0.22 1.52 -0.92 0.00 0.00 175.35 176.60 3bfu s TYR 51 N -1.66 0.44 -0.13 3.18 -0.85 -1.26 -0.72 117.35 116.36 3bfu s TYR 51 Ca 0.31 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 56.05 3bfu s TYR 51 Cb -0.11 -0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.11 3bfu s TYR 51 CO 0.24 -0.64 -0.16 0.21 -1.52 0.00 0.00 175.55 173.67 3bfu s LYS 52 N -3.96 2.39 0.03 -3.49 2.20 -0.45 -4.89 119.74 111.56 3bfu s LYS 52 Ca 0.16 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 3bfu s LYS 52 Cb 0.04 -2.06 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 3bfu s LYS 52 CO -0.02 -0.11 0.77 -0.51 -0.36 0.00 0.00 175.35 175.12 3bfu s LEU 53 N 1.12 4.43 -0.04 5.43 1.43 -1.26 -1.19 118.68 128.59 3bfu s LEU 53 Ca -0.03 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 3bfu s LEU 53 Cb -0.14 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3bfu s LEU 53 CO -0.05 -0.02 -0.01 0.42 0.23 0.00 0.00 176.35 176.92 3bfu s THR 54 N 0.13 0.28 -0.10 5.49 -4.23 0.24 -4.84 115.64 112.60 3bfu s THR 54 Ca 0.39 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.66 3bfu s THR 54 Cb -0.20 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 3bfu s THR 54 CO 0.23 0.18 1.11 -0.63 -0.54 0.00 0.00 174.62 174.97 3bfu s ILE 55 N 1.18 4.53 -0.03 2.99 -1.09 -1.26 -1.74 121.20 125.77 3bfu s ILE 55 Ca -0.07 1.82 -0.39 0.00 -2.23 0.00 0.00 60.65 59.78 3bfu s ILE 55 Cb -0.13 -4.17 -0.18 0.00 -1.58 0.00 0.00 42.46 36.39 3bfu s ILE 55 CO -0.02 -0.03 1.34 0.55 -1.23 0.00 0.00 174.94 175.55 3bfu n VAL 56 N 4.72 0.04 -0.24 2.92 3.14 0.12 -4.86 118.33 124.16 3bfu n VAL 56 Ca 0.10 -0.01 0.02 0.00 -2.96 0.00 0.00 64.34 61.50 3bfu n VAL 56 Cb 0.47 -0.61 0.15 0.00 -1.06 0.00 0.00 33.84 32.79 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 4.50 1.06 -0.56 7.55 0.00 -1.92 -2.64 103.07 111.07 3bfu h GLY 57 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3bfu h GLY 57 CO 0.78 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.41 3bfu n ASP 58 N -4.92 1.59 -0.93 0.19 5.68 -1.26 -4.93 116.55 111.97 3bfu n ASP 58 Ca 0.12 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.75 3bfu n ASP 58 Cb 0.31 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 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 1.19 1.30 3.73 6.12 0.00 -0.99 -4.98 105.19 111.55 3bfu n GLY 59 Ca 0.19 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.96 2.62 0.01 1.61 1.02 -1.26 -5.00 119.74 115.77 3bfu s LYS 60 Ca 0.00 -1.07 -0.20 0.00 0.02 0.00 0.00 55.97 54.72 3bfu s LYS 60 Cb 0.00 -2.45 -0.21 0.00 -0.52 0.00 0.00 37.83 34.65 3bfu s LYS 60 CO 0.00 0.44 1.15 1.88 -0.92 0.00 0.00 175.35 177.90 3bfu h TYR 61 N 2.33 0.56 0.00 3.18 0.05 -1.90 -2.17 116.97 119.01 3bfu h TYR 61 Ca -0.47 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.03 3bfu h TYR 61 Cb 1.21 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3bfu h TYR 61 CO 0.61 1.06 0.00 0.41 -1.05 0.00 0.00 178.16 179.19 3bfu n GLY 62 N 0.89 3.48 3.35 3.88 0.00 -1.26 -2.25 105.19 113.28 3bfu n GLY 62 Ca -0.09 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.15 -0.33 4.61 0.00 -1.23 -4.65 121.76 119.01 3bfu s ALA 63 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 3bfu s ALA 63 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3bfu s ALA 63 CO 0.00 -0.43 0.75 0.50 0.00 0.00 0.00 175.76 176.58 3bfu s ARG 64 N -2.15 3.85 0.04 0.00 3.52 -1.26 -1.17 118.95 121.78 3bfu s ARG 64 Ca -0.07 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 3bfu s ARG 64 Cb -0.01 -3.76 -0.09 0.00 -1.56 0.00 0.00 34.95 29.53 3bfu s ARG 64 CO 0.00 -0.73 1.86 0.34 -0.81 0.00 0.00 175.30 175.96 3bfu s ASP 65 N 1.72 6.49 0.56 -2.12 2.15 -0.37 -4.86 116.67 120.25 3bfu s ASP 65 Ca 0.30 2.60 0.24 0.00 0.43 0.00 0.00 52.55 56.13 3bfu s ASP 65 Cb -0.14 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.54 3bfu s ASP 65 CO 0.14 -1.01 2.21 0.00 -0.17 0.00 0.00 175.17 176.35 3bfu h ALA 66 N 9.79 1.72 -0.74 3.66 0.00 -1.94 0.32 119.26 132.06 3bfu h ALA 66 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3bfu h ALA 66 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bfu h ALA 66 CO 0.94 -0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.72 3bfu n ASP 67 N -4.13 0.00 0.23 0.00 -0.08 -1.26 -4.46 116.55 106.85 3bfu n ASP 67 Ca -0.03 0.35 0.15 0.00 -1.51 0.00 0.00 54.79 53.75 3bfu n ASP 67 Cb 0.09 -0.38 0.53 0.00 2.34 0.00 0.00 41.12 43.70 3bfu n ASP 67 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3bfu h THR 68 N 0.00 0.00 0.00 5.18 1.35 -1.98 -3.46 112.91 114.00 3bfu h THR 68 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3bfu h THR 68 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3bfu h THR 68 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 3bfu n LYS 69 N -2.92 -0.61 -3.27 4.72 4.76 0.11 -5.00 118.16 115.96 3bfu n LYS 69 Ca 0.02 0.15 -0.39 0.00 -2.87 0.00 0.00 58.31 55.23 3bfu n LYS 69 Cb 0.35 -3.62 -0.06 0.00 -1.84 0.00 0.00 35.03 29.87 3bfu n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bfu s ILE 70 N -1.74 4.93 0.05 -0.18 1.01 -1.25 -4.67 121.20 119.35 3bfu s ILE 70 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 3bfu s ILE 70 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3bfu s ILE 70 CO 0.00 0.45 0.97 0.26 0.00 0.00 0.00 174.94 176.61 3bfu s TRP 71 N -0.33 3.73 0.38 3.97 0.52 -1.26 -1.23 118.94 124.72 3bfu s TRP 71 Ca 0.29 1.74 0.05 0.00 0.02 0.00 0.00 56.10 58.19 3bfu s TRP 71 Cb -0.18 -3.09 0.05 0.00 -1.15 0.00 0.00 33.47 29.10 3bfu s TRP 71 CO 0.16 0.09 0.38 0.27 0.02 0.00 0.00 176.95 177.87 3bfu n ASN 72 N 3.40 1.91 -0.00 2.95 0.23 -0.32 -4.20 115.26 119.23 3bfu n ASN 72 Ca 0.04 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.89 3bfu n ASN 72 Cb 0.50 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.37 0.65 0.35 4.83 0.00 -1.26 -1.61 105.19 108.52 3bfu n GLY 73 Ca 0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 1.06 -0.74 1.61 2.86 -0.93 -1.89 114.93 116.90 3bfu h MET 74 Ca 0.00 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3bfu h MET 74 Cb 0.00 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 3bfu h MET 74 CO 0.00 0.76 0.49 0.28 1.06 0.00 0.00 176.91 179.50 3bfu h VAL 75 N 1.07 1.18 -0.73 -2.22 2.07 -1.57 -2.19 116.25 113.85 3bfu h VAL 75 Ca 0.28 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3bfu h VAL 75 Cb -0.01 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 3bfu h VAL 75 CO -0.05 0.18 0.39 1.23 0.02 0.00 0.00 177.57 179.34 3bfu h GLY 76 N 0.99 1.10 1.01 2.17 0.00 -0.55 -0.43 103.07 107.36 3bfu h GLY 76 Ca 0.28 -0.51 0.08 0.00 0.00 0.00 0.00 47.33 47.18 3bfu h GLY 76 CO -0.07 0.49 0.45 0.83 0.00 0.00 0.00 176.54 178.25 3bfu h GLU 77 N 1.01 0.61 0.01 4.80 4.39 -0.77 -0.54 114.58 124.09 3bfu h GLU 77 Ca 0.26 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3bfu h GLU 77 Cb 0.06 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3bfu h GLU 77 CO -0.04 0.40 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.14 3bfu h LEU 78 N 0.62 -0.02 -1.35 1.33 3.38 -0.97 0.32 115.31 118.62 3bfu h LEU 78 Ca 0.31 -0.77 0.16 0.00 0.09 0.00 0.00 57.88 57.67 3bfu h LEU 78 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3bfu h LEU 78 CO -0.10 0.81 0.58 0.58 0.09 0.00 0.00 178.44 180.39 3bfu h VAL 79 N -0.88 0.78 -0.64 1.22 2.07 -0.72 -1.89 116.25 116.19 3bfu h VAL 79 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3bfu h VAL 79 Cb 0.79 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3bfu h VAL 79 CO 0.00 0.11 0.00 -1.22 0.02 0.00 0.00 177.57 176.48 3bfu n TYR 80 N -4.56 1.41 -1.42 1.57 4.01 -0.24 -4.95 117.16 112.97 3bfu n TYR 80 Ca 0.18 -0.61 -0.10 0.00 -0.16 0.00 0.00 57.90 57.21 3bfu n TYR 80 Cb 0.54 -0.22 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.11 1.01 0.17 2.72 0.00 -0.71 -4.91 105.19 104.58 3bfu n GLY 81 Ca 0.25 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -4.08 1.61 1.79 -0.65 -3.46 116.57 111.77 3bfu h LYS 82 Ca -0.22 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.13 3bfu h LYS 82 Cb 0.74 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.23 3bfu h LYS 82 CO 0.31 0.19 -0.61 0.00 -1.08 0.00 0.00 179.45 178.26 3bfu s ALA 83 N -3.12 0.28 -0.14 3.86 0.00 -0.67 -5.00 121.76 116.97 3bfu s ALA 83 Ca 0.05 -0.96 0.22 0.00 0.00 0.00 0.00 51.96 51.26 3bfu s ALA 83 Cb 0.07 0.28 -0.17 0.00 0.00 0.00 0.00 23.12 23.30 3bfu s ALA 83 CO 0.72 -0.36 0.74 -0.25 0.00 0.00 0.00 175.76 176.60 3bfu n ASP 84 N 0.35 0.45 -3.51 0.00 8.00 0.32 -4.49 116.55 117.67 3bfu n ASP 84 Ca -0.16 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 3bfu n ASP 84 Cb 0.60 1.11 -0.04 0.00 -0.02 0.00 0.00 41.12 42.76 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 -3.35 0.00 -0.16 0.53 2.07 -1.03 -4.27 121.20 115.00 3bfu s ILE 85 Ca -0.04 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3bfu s ILE 85 Cb 0.11 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.71 3bfu s ILE 85 CO 0.85 0.00 -0.20 0.00 -1.91 0.00 0.00 174.94 173.67 3bfu s ALA 86 N -1.97 2.31 -0.36 1.50 0.00 0.66 -0.48 121.76 123.43 3bfu s ALA 86 Ca -0.04 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.80 3bfu s ALA 86 Cb -0.00 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 22.12 3bfu s ALA 86 CO 0.01 -0.17 0.09 0.42 0.00 0.00 0.00 175.76 176.11 3bfu s ILE 87 N 1.02 2.00 0.15 0.00 1.01 -1.01 -1.76 121.20 122.61 3bfu s ILE 87 Ca -0.02 -2.27 -0.23 0.00 0.00 0.00 0.00 60.65 58.13 3bfu s ILE 87 Cb -0.14 -2.47 0.08 0.00 0.01 0.00 0.00 42.46 39.93 3bfu s ILE 87 CO -0.06 -0.65 1.09 0.00 0.00 0.00 0.00 174.94 175.32 3bfu s ALA 88 N 0.90 -1.75 -1.55 9.38 0.00 -1.26 -4.61 121.76 122.87 3bfu s ALA 88 Ca 0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 3bfu s ALA 88 Cb -0.20 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 3bfu s ALA 88 CO -0.10 -1.08 2.74 -0.35 0.00 0.00 0.00 175.76 176.97 3bfu n PRO 89 N -0.74 3.41 -3.17 0.00 -0.04 -1.26 -4.67 135.00 128.53 3bfu n PRO 89 Ca -0.02 -2.27 -0.41 0.00 -0.04 0.00 0.00 63.50 60.76 3bfu n PRO 89 Cb 0.59 -2.91 -0.07 0.00 -0.04 0.00 0.00 33.50 31.07 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 0.68 4.21 0.12 1.53 2.96 -1.26 -5.00 118.68 121.92 3bfu s LEU 90 Ca 0.63 0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 54.49 3bfu s LEU 90 Cb 0.17 -2.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 3bfu s LEU 90 CO -0.06 -0.47 1.30 -0.89 -1.32 0.00 0.00 176.35 174.90 3bfu s THR 91 N 2.53 3.52 -0.22 3.68 2.01 -1.26 -1.86 115.64 124.03 3bfu s THR 91 Ca 0.23 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.07 3bfu s THR 91 Cb -0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 3bfu s THR 91 CO 0.12 0.11 1.27 -0.63 -0.69 0.00 0.00 174.62 174.81 3bfu s ILE 92 N 0.78 4.24 0.15 1.82 1.01 -0.37 -4.90 121.20 123.93 3bfu s ILE 92 Ca 0.60 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.74 3bfu s ILE 92 Cb -0.34 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3bfu s ILE 92 CO 0.32 -0.27 -0.06 0.42 0.00 0.00 0.00 174.94 175.34 3bfu s THR 93 N 3.85 0.96 0.08 2.92 -4.23 -1.26 -4.73 115.64 113.23 3bfu s THR 93 Ca 0.55 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3bfu s THR 93 Cb -0.19 -1.92 -0.17 0.00 1.34 0.00 0.00 72.50 71.56 3bfu s THR 93 CO 0.18 -0.68 1.65 0.25 -0.54 0.00 0.00 174.62 175.48 3bfu h LEU 94 N 2.77 -0.59 -1.62 4.79 5.85 -1.98 -0.47 115.31 124.05 3bfu h LEU 94 Ca -0.36 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.50 3bfu h LEU 94 Cb 1.19 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3bfu h LEU 94 CO 0.64 -0.40 0.45 -0.37 -0.34 0.00 0.00 178.44 178.41 3bfu h VAL 95 N -0.65 0.85 0.12 1.05 -1.51 -2.00 -1.95 116.25 112.15 3bfu h VAL 95 Ca -0.06 -0.14 -0.30 0.00 -1.23 0.00 0.00 66.70 64.98 3bfu h VAL 95 Cb 0.52 0.41 0.03 0.00 -2.13 0.00 0.00 31.29 30.11 3bfu h VAL 95 CO 0.08 0.07 -1.23 0.03 -1.23 0.00 0.00 177.57 175.30 3bfu h ARG 96 N 0.41 0.62 0.00 5.19 3.08 -1.90 -3.22 114.38 118.56 3bfu h ARG 96 Ca 0.32 -0.83 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3bfu h ARG 96 Cb 0.68 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3bfu h ARG 96 CO -0.09 1.38 0.00 1.49 -1.07 0.00 0.00 179.97 181.67 3bfu h GLU 97 N 0.26 0.00 0.00 0.04 4.57 -0.35 -0.29 114.58 118.81 3bfu h GLU 97 Ca -0.19 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3bfu h GLU 97 Cb 1.90 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.49 3bfu h GLU 97 CO 0.24 0.00 -0.09 0.93 -1.18 0.00 0.00 179.01 178.91 3bfu h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.41 -3.35 114.58 116.82 3bfu h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bfu h GLU 98 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3bfu h GLU 98 CO 0.00 0.09 -0.99 1.33 -1.00 0.00 0.00 179.01 178.44 3bfu n VAL 99 N -3.14 0.00 -4.13 3.13 0.24 -0.35 -5.06 118.33 109.02 3bfu n VAL 99 Ca 0.03 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 3bfu n VAL 99 Cb 0.50 0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 33.30 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 -2.14 0.08 0.08 1.34 -4.36 -0.27 -4.10 121.20 111.84 3bfu s ILE 100 Ca -0.01 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3bfu s ILE 100 Cb 0.03 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 3bfu s ILE 100 CO 0.21 -0.34 0.25 -1.81 0.24 0.00 0.00 174.94 173.48 3bfu s ASP 101 N -3.06 6.39 -0.01 4.36 1.01 -0.32 -4.27 116.67 120.77 3bfu s ASP 101 Ca 0.26 0.34 0.05 0.00 0.71 0.00 0.00 52.55 53.90 3bfu s ASP 101 Cb 0.07 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 3bfu s ASP 101 CO 0.04 0.14 -0.16 -0.36 0.21 0.00 0.00 175.17 175.03 3bfu s PHE 102 N -1.56 1.40 0.84 4.23 0.08 -1.26 -1.73 117.98 119.98 3bfu s PHE 102 Ca 0.36 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 3bfu s PHE 102 Cb -0.13 -0.90 0.10 0.00 -0.57 0.00 0.00 43.02 41.52 3bfu s PHE 102 CO 0.27 -0.02 1.19 -1.54 -0.10 0.00 0.00 175.22 175.02 3bfu s SER 103 N -0.40 4.25 0.69 1.36 1.04 -0.29 -4.93 113.70 115.42 3bfu s SER 103 Ca 0.06 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 3bfu s SER 103 Cb -0.06 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.85 3bfu s SER 103 CO -0.01 -2.07 1.25 -0.54 0.98 0.00 0.00 173.24 172.86 3bfu s LYS 104 N -5.57 2.33 0.34 4.02 -0.14 -1.26 -4.45 119.74 115.02 3bfu s LYS 104 Ca 0.63 1.93 -0.28 0.00 -1.36 0.00 0.00 55.97 56.89 3bfu s LYS 104 Cb -0.11 -1.84 -0.12 0.00 -1.68 0.00 0.00 37.83 34.08 3bfu s LYS 104 CO 0.50 -1.73 1.30 -0.35 -0.76 0.00 0.00 175.35 174.31 3bfu n PRO 105 N -2.30 2.14 0.00 -1.68 -0.04 -1.26 -4.64 135.00 127.22 3bfu n PRO 105 Ca 0.15 0.75 0.09 0.00 -0.04 0.00 0.00 63.50 64.45 3bfu n PRO 105 Cb 0.49 -2.34 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.39 0.00 -3.58 0.54 1.16 -0.25 -4.96 117.46 110.76 3bfu n PHE 106 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.49 3bfu n PHE 106 Cb 0.36 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.17 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 -2.16 0.80 0.24 3.97 0.00 -1.26 -4.99 119.30 115.90 3bfu s MET 107 Ca 0.15 0.45 0.06 0.00 0.00 0.00 0.00 55.69 56.36 3bfu s MET 107 Cb 0.15 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.33 3bfu s MET 107 CO 0.48 -0.20 0.21 -1.12 0.00 0.00 0.00 175.02 174.39 3bfu s SER 108 N -0.59 5.63 0.14 1.11 0.01 -1.26 -1.69 113.70 117.05 3bfu s SER 108 Ca -0.04 -0.19 -0.24 0.00 1.31 0.00 0.00 55.95 56.79 3bfu s SER 108 Cb -0.02 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.82 3bfu s SER 108 CO 0.03 -0.02 1.07 -1.48 0.41 0.00 0.00 173.24 173.25 3bfu s LEU 109 N -3.74 -0.04 -0.01 2.44 2.34 -0.44 -4.84 118.68 114.40 3bfu s LEU 109 Ca 0.33 -0.51 -0.27 0.00 0.06 0.00 0.00 54.13 53.74 3bfu s LEU 109 Cb -0.08 1.96 0.06 0.00 -0.56 0.00 0.00 46.19 47.57 3bfu s LEU 109 CO 0.25 -0.83 0.61 -0.83 -1.06 0.00 0.00 176.35 174.49 3bfu s GLY 110 N -3.29 -0.52 0.39 -3.48 0.00 -1.26 -0.65 107.32 98.51 3bfu s GLY 110 Ca 0.19 1.01 -0.28 0.00 0.00 0.00 0.00 44.72 45.65 3bfu s GLY 110 CO 0.03 0.68 1.49 -0.42 0.00 0.00 0.00 173.10 174.88 3bfu s ILE 111 N -1.72 2.00 0.24 0.90 1.01 -1.26 -0.09 121.20 122.27 3bfu s ILE 111 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3bfu s ILE 111 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3bfu s ILE 111 CO 0.05 0.00 0.19 -0.94 0.00 0.00 0.00 174.94 174.24 3bfu s SER 112 N -0.16 0.52 -0.15 3.58 1.04 0.20 -1.16 113.70 117.57 3bfu s SER 112 Ca 0.54 -1.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.48 3bfu s SER 112 Cb -0.47 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3bfu s SER 112 CO 0.63 -0.92 -0.05 -0.63 0.98 0.00 0.00 173.24 173.25 3bfu s ILE 113 N -3.95 3.77 -0.17 -1.02 1.01 -1.26 -1.72 121.20 117.86 3bfu s ILE 113 Ca 0.38 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3bfu s ILE 113 Cb 0.05 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3bfu s ILE 113 CO 0.16 0.50 -0.11 -0.32 0.00 0.00 0.00 174.94 175.18 3bfu s MET 114 N 0.29 3.34 0.23 2.79 -2.45 0.45 -2.01 119.30 121.93 3bfu s MET 114 Ca -0.04 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 53.80 3bfu s MET 114 Cb -0.14 -2.76 -0.05 0.00 1.25 0.00 0.00 34.83 33.13 3bfu s MET 114 CO 0.03 0.03 -0.12 0.96 1.05 0.00 0.00 175.02 176.96 3bfu s ILE 115 N 0.84 1.74 0.24 10.11 -4.36 -0.46 -1.03 121.20 128.28 3bfu s ILE 115 Ca -0.03 -2.20 -0.30 0.00 -0.26 0.00 0.00 60.65 57.86 3bfu s ILE 115 Cb -0.15 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.31 3bfu s ILE 115 CO 0.00 -0.51 0.99 -0.75 0.24 0.00 0.00 174.94 174.91 3bfu s LYS 116 N -3.66 4.78 0.16 0.37 2.47 -1.26 -0.94 119.74 121.65 3bfu s LYS 116 Ca 0.25 1.58 -0.34 0.00 -1.56 0.00 0.00 55.97 55.90 3bfu s LYS 116 Cb 0.00 -3.26 -0.15 0.00 -1.46 0.00 0.00 37.83 32.96 3bfu s LYS 116 CO 0.08 0.40 1.36 1.63 0.16 0.00 0.00 175.35 178.98 3bfu n LYS 117 N 1.53 1.56 0.00 4.03 5.02 0.72 -1.95 118.16 129.07 3bfu n LYS 117 Ca -0.01 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3bfu n LYS 117 Cb 0.46 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 2.53 3.28 3.71 0.72 0.00 -1.26 -4.99 105.19 109.17 3bfu n GLY 118 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3bfu n GLY 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bfu n THR 119 N -1.63 0.05 -0.96 2.61 -1.04 -0.82 -4.85 114.28 107.63 3bfu n THR 119 Ca 0.00 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 3bfu n THR 119 Cb 0.00 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 66.55 3bfu n THR 119 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3bfu n PRO 120 N 4.11 2.64 -4.01 -2.82 -0.04 -1.26 -4.81 135.00 128.82 3bfu n PRO 120 Ca 0.16 -1.66 -0.18 0.00 -0.04 0.00 0.00 63.50 61.78 3bfu n PRO 120 Cb 0.34 -2.52 -0.16 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.69 0.32 0.00 0.52 -1.09 -1.26 -5.02 121.20 117.35 3bfu s ILE 121 Ca 0.53 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 3bfu s ILE 121 Cb 0.15 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.64 3bfu s ILE 121 CO -0.04 0.18 0.17 -0.62 -1.23 0.00 0.00 174.94 173.40 3bfu n GLU 122 N 4.16 3.28 -3.85 2.79 1.02 -1.26 -4.91 120.64 121.87 3bfu n GLU 122 Ca -0.25 -0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 56.66 3bfu n GLU 122 Cb 0.50 -0.62 -0.02 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.52 -0.24 0.15 1.62 1.04 -1.26 -3.29 113.70 111.21 3bfu s SER 123 Ca 0.00 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.70 3bfu s SER 123 Cb 0.00 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.85 3bfu s SER 123 CO 0.00 -1.32 1.60 0.00 0.98 0.00 0.00 173.24 174.50 3bfu h ALA 124 N 2.00 0.68 -0.69 5.32 0.00 -1.94 -2.18 119.26 122.46 3bfu h ALA 124 Ca -0.20 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3bfu h ALA 124 Cb 1.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3bfu h ALA 124 CO 0.24 0.52 0.37 1.49 0.00 0.00 0.00 179.25 181.87 3bfu h GLU 125 N 0.77 0.65 -0.51 0.00 4.81 -1.96 0.17 114.58 118.51 3bfu h GLU 125 Ca 0.14 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3bfu h GLU 125 Cb 0.56 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 3bfu h GLU 125 CO 0.03 0.43 0.18 -0.44 -0.73 0.00 0.00 179.01 178.48 3bfu h ASP 126 N 0.67 0.18 -0.31 1.04 5.19 -1.82 -1.79 116.42 119.58 3bfu h ASP 126 Ca 0.32 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 3bfu h ASP 126 Cb 0.24 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3bfu h ASP 126 CO -0.21 0.13 0.13 -0.07 -3.12 0.00 0.00 179.24 176.10 3bfu h LEU 127 N 0.36 0.42 -2.39 1.55 3.38 -0.64 -2.83 115.31 115.16 3bfu h LEU 127 Ca 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3bfu h LEU 127 Cb 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bfu h LEU 127 CO -0.25 0.46 -0.00 0.77 0.09 0.00 0.00 178.44 179.50 3bfu h SER 128 N 0.35 0.00 -0.60 -0.43 4.64 -0.51 -2.69 113.55 114.31 3bfu h SER 128 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3bfu h SER 128 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3bfu h SER 128 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 3bfu n LYS 129 N -3.11 4.15 -3.84 4.77 5.02 -0.72 -4.95 118.16 119.48 3bfu n LYS 129 Ca -0.02 -2.90 -0.09 0.00 -2.02 0.00 0.00 58.31 53.28 3bfu n LYS 129 Cb 0.16 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.07 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 -2.21 1.07 0.00 1.97 1.03 -1.02 -5.07 119.66 115.43 3bfu s GLN 130 Ca 0.51 -0.99 0.00 0.00 0.04 0.00 0.00 55.36 54.93 3bfu s GLN 130 Cb 0.36 0.40 0.00 0.00 0.03 0.00 0.00 33.01 33.80 3bfu s GLN 130 CO 0.20 -0.39 0.00 0.25 -2.54 0.00 0.00 175.29 172.81 3bfu n THR 131 N -0.18 0.00 -0.15 3.63 -2.24 -1.26 -4.77 114.28 109.30 3bfu n THR 131 Ca -0.12 -0.19 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3bfu n THR 131 Cb 0.63 0.70 0.24 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.86 -4.55 -0.78 4.81 -1.97 -3.37 114.58 109.58 3bfu h GLU 132 Ca 0.00 -0.10 -0.71 0.00 -0.13 0.00 0.00 59.36 58.42 3bfu h GLU 132 Cb 0.00 -0.17 -0.22 0.00 0.63 0.00 0.00 28.75 28.99 3bfu h GLU 132 CO 0.00 0.66 -0.47 0.42 -0.73 0.00 0.00 179.01 178.89 3bfu s ILE 133 N -5.53 4.98 0.70 2.32 1.01 -1.26 -4.89 121.20 118.53 3bfu s ILE 133 Ca -0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 3bfu s ILE 133 Cb 0.17 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.88 3bfu s ILE 133 CO 0.78 -0.26 1.06 0.00 0.00 0.00 0.00 174.94 176.52 3bfu s ALA 134 N 1.63 2.68 0.02 9.38 0.00 -0.46 -4.86 121.76 130.16 3bfu s ALA 134 Ca 0.04 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 3bfu s ALA 134 Cb -0.19 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3bfu s ALA 134 CO 0.09 -1.22 0.48 1.52 0.00 0.00 0.00 175.76 176.62 3bfu s TYR 135 N -3.06 -0.37 0.00 0.00 -0.85 -1.26 -1.24 117.35 110.57 3bfu s TYR 135 Ca 0.58 0.46 0.00 0.00 -0.52 0.00 0.00 57.07 57.59 3bfu s TYR 135 Cb -0.14 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.48 3bfu s TYR 135 CO 0.55 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.41 3bfu n GLY 136 N 0.62 2.23 2.31 5.49 0.00 -1.16 -4.80 105.19 109.88 3bfu n GLY 136 Ca -0.19 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.01 2.61 -2.24 -1.25 -1.34 114.28 110.05 3bfu n THR 137 Ca 0.00 -1.73 -0.36 0.00 -2.27 0.00 0.00 64.05 59.69 3bfu n THR 137 Cb 0.00 0.82 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 3.67 0.00 3.22 2.96 -1.26 -2.20 118.68 125.07 3bfu s LEU 138 Ca 0.26 2.40 0.14 0.00 -0.22 0.00 0.00 54.13 56.72 3bfu s LEU 138 Cb 0.01 -4.59 0.86 0.00 0.50 0.00 0.00 46.19 42.97 3bfu s LEU 138 CO 0.18 -1.59 1.29 -0.67 -1.32 0.00 0.00 176.35 174.24 3bfu n ASP 139 N -1.57 0.00 -3.58 3.68 2.03 0.16 -4.49 116.55 112.78 3bfu n ASP 139 Ca 0.14 -0.66 -0.06 0.00 0.52 0.00 0.00 54.79 54.73 3bfu n ASP 139 Cb 0.49 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 -1.90 -0.26 0.00 1.67 1.04 -1.26 -5.03 113.70 107.96 3bfu s SER 140 Ca 0.22 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3bfu s SER 140 Cb 0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3bfu s SER 140 CO 0.17 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3bfu n GLY 141 N -0.27 -0.27 0.25 7.32 0.00 -1.26 -4.68 105.19 106.28 3bfu n GLY 141 Ca -0.06 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 0.04 1.61 4.64 -1.94 -1.99 113.55 115.91 3bfu h SER 142 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bfu h SER 142 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bfu h SER 142 CO 0.00 0.07 -0.02 0.74 -0.87 0.00 0.00 176.83 176.75 3bfu h THR 143 N 0.00 1.33 -0.74 2.95 2.02 -1.94 -0.91 112.91 115.63 3bfu h THR 143 Ca -0.00 -1.60 0.05 0.00 0.77 0.00 0.00 66.41 65.63 3bfu h THR 143 Cb 0.13 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 3bfu h THR 143 CO 0.01 0.38 0.44 0.50 0.37 0.00 0.00 175.52 177.22 3bfu h LYS 144 N -0.81 0.80 -0.56 6.66 3.64 -1.77 -1.14 116.57 123.39 3bfu h LYS 144 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3bfu h LYS 144 Cb 0.67 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3bfu h LYS 144 CO 0.01 0.53 0.23 0.93 -2.27 0.00 0.00 179.45 178.87 3bfu h GLU 145 N 0.82 0.80 -0.45 1.90 5.08 -1.40 -0.91 114.58 120.43 3bfu h GLU 145 Ca 0.32 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3bfu h GLU 145 Cb 0.13 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3bfu h GLU 145 CO -0.16 0.66 0.19 0.35 -1.00 0.00 0.00 179.01 179.05 3bfu h PHE 146 N 0.80 0.35 -0.22 4.33 3.57 0.10 -0.77 116.94 125.10 3bfu h PHE 146 Ca 0.19 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.52 3bfu h PHE 146 Cb 0.15 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3bfu h PHE 146 CO 0.01 0.15 -0.62 0.74 -2.23 0.00 0.00 178.31 176.36 3bfu h PHE 147 N 0.39 1.06 -0.42 0.41 0.04 -0.98 -0.51 116.94 116.92 3bfu h PHE 147 Ca 0.20 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 3bfu h PHE 147 Cb 0.16 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3bfu h PHE 147 CO -0.13 1.24 0.16 -0.09 -0.60 0.00 0.00 178.31 178.90 3bfu h ARG 148 N 0.57 0.60 0.05 1.51 2.43 -0.84 -3.16 114.38 115.54 3bfu h ARG 148 Ca -0.01 -0.08 -0.31 0.00 -0.81 0.00 0.00 59.98 58.76 3bfu h ARG 148 Cb 1.24 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3bfu h ARG 148 CO 0.13 0.51 -1.77 0.00 -1.51 0.00 0.00 179.97 177.33 3bfu h ARG 149 N 0.60 0.10 -6.07 0.20 2.47 -1.14 -3.49 114.38 107.05 3bfu h ARG 149 Ca 0.15 -0.17 -0.73 0.00 -1.26 0.00 0.00 59.98 57.97 3bfu h ARG 149 Cb 0.13 0.06 0.07 0.00 -1.65 0.00 0.00 29.97 28.58 3bfu h ARG 149 CO -0.01 0.76 -0.02 0.45 0.56 0.00 0.00 179.97 181.71 3bfu n SER 150 N -3.21 0.02 -0.56 7.04 2.88 -0.20 -4.88 113.62 114.70 3bfu n SER 150 Ca -0.21 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.53 3bfu n SER 150 Cb 1.05 -0.99 0.10 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.49 1.72 -2.60 -1.46 5.02 -1.26 -4.49 118.16 116.58 3bfu n LYS 151 Ca 0.19 -1.63 -0.42 0.00 -2.02 0.00 0.00 58.31 54.43 3bfu n LYS 151 Cb 0.15 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.98 4.58 0.07 -0.18 -1.09 -1.26 -4.92 121.20 117.42 3bfu s ILE 152 Ca 0.19 1.86 -0.14 0.00 -2.23 0.00 0.00 60.65 60.33 3bfu s ILE 152 Cb 0.11 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3bfu s ILE 152 CO 0.15 0.03 1.05 0.00 -1.23 0.00 0.00 174.94 174.94 3bfu n ALA 153 N 4.85 -0.28 -0.29 9.38 0.00 -1.26 -0.87 120.51 132.03 3bfu n ALA 153 Ca 0.09 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 3bfu n ALA 153 Cb 0.48 0.12 0.12 0.00 0.00 0.00 0.00 19.45 20.17 3bfu n ALA 153 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3bfu h VAL 154 N 0.00 1.06 -0.14 0.00 3.04 -2.00 -1.65 116.25 116.56 3bfu h VAL 154 Ca 0.07 -0.32 -0.18 0.00 -1.01 0.00 0.00 66.70 65.26 3bfu h VAL 154 Cb 0.18 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.50 3bfu h VAL 154 CO -0.42 0.17 -0.66 -0.26 -1.01 0.00 0.00 177.57 175.40 3bfu h PHE 155 N 0.94 0.70 -0.20 3.17 0.04 -1.77 -2.25 116.94 117.57 3bfu h PHE 155 Ca 0.34 -0.28 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 3bfu h PHE 155 Cb 0.11 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3bfu h PHE 155 CO -0.04 1.04 -0.27 0.22 -0.60 0.00 0.00 178.31 178.66 3bfu h ASP 156 N 0.39 0.39 -0.47 2.17 3.58 -0.76 0.08 116.42 121.81 3bfu h ASP 156 Ca -0.02 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.22 3bfu h ASP 156 Cb 1.23 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 3bfu h ASP 156 CO 0.12 0.66 -0.01 0.50 -2.88 0.00 0.00 179.24 177.63 3bfu h LYS 157 N 0.34 0.83 -0.55 0.28 3.64 -1.19 -0.50 116.57 119.43 3bfu h LYS 157 Ca 0.05 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 3bfu h LYS 157 Cb 0.66 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3bfu h LYS 157 CO 0.05 0.89 0.24 0.52 -2.27 0.00 0.00 179.45 178.88 3bfu h MET 158 N 0.68 0.81 -0.52 1.90 2.86 -0.90 -2.36 114.93 117.40 3bfu h MET 158 Ca 0.13 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3bfu h MET 158 Cb 0.52 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3bfu h MET 158 CO 0.03 0.69 0.23 2.35 1.06 0.00 0.00 176.91 181.26 3bfu h TRP 159 N 0.75 0.77 -0.96 -0.22 2.91 -0.74 0.12 115.95 118.58 3bfu h TRP 159 Ca 0.19 -0.05 0.08 0.00 1.13 0.00 0.00 58.89 60.24 3bfu h TRP 159 Cb 0.16 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 28.51 3bfu h TRP 159 CO 0.00 0.62 0.61 1.15 -1.03 0.00 0.00 178.44 179.80 3bfu h THR 160 N 0.70 1.03 0.15 2.65 2.02 -0.84 -0.84 112.91 117.77 3bfu h THR 160 Ca 0.18 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3bfu h THR 160 Cb 0.16 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3bfu h THR 160 CO -0.02 0.20 -0.07 0.22 0.37 0.00 0.00 175.52 176.22 3bfu h TYR 161 N 1.07 -0.18 -0.26 3.16 3.20 -1.02 -3.29 116.97 119.65 3bfu h TYR 161 Ca 0.43 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.33 3bfu h TYR 161 Cb 0.25 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3bfu h TYR 161 CO -0.01 0.26 0.06 0.52 -1.64 0.00 0.00 178.16 177.34 3bfu h MET 162 N -0.73 0.15 -0.74 1.82 2.86 -0.71 -1.55 114.93 116.04 3bfu h MET 162 Ca -0.02 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3bfu h MET 162 Cb 0.52 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3bfu h MET 162 CO 0.03 0.10 0.48 -0.09 1.06 0.00 0.00 176.91 178.50 3bfu h ARG 163 N 0.16 0.74 -0.02 1.72 9.65 -1.30 -2.80 114.38 122.53 3bfu h ARG 163 Ca 0.12 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3bfu h ARG 163 Cb 0.12 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3bfu h ARG 163 CO -0.15 0.49 -0.24 0.43 2.80 0.00 0.00 179.97 183.30 3bfu n SER 164 N -4.48 2.48 -4.76 -3.80 7.64 -1.12 -4.98 113.62 104.60 3bfu n SER 164 Ca 0.11 -1.74 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 3bfu n SER 164 Cb 0.24 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.21 3.60 -0.05 -0.43 0.00 -0.60 -5.02 121.76 117.05 3bfu s ALA 165 Ca 0.23 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3bfu s ALA 165 Cb 0.19 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3bfu s ALA 165 CO 0.43 -0.84 -0.04 -1.21 0.00 0.00 0.00 175.76 174.10 3bfu s GLU 166 N -1.26 0.85 0.89 0.00 2.02 -1.26 -3.67 118.70 116.27 3bfu s GLU 166 Ca 0.55 -0.08 -0.11 0.00 0.02 0.00 0.00 54.97 55.35 3bfu s GLU 166 Cb -0.44 -0.93 0.12 0.00 0.10 0.00 0.00 34.13 32.99 3bfu s GLU 166 CO 0.52 -0.14 1.09 -1.25 0.02 0.00 0.00 175.26 175.51 3bfu s PRO 167 N 1.18 1.34 0.30 0.39 0.04 -1.26 -5.09 135.00 131.89 3bfu s PRO 167 Ca -0.07 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 3bfu s PRO 167 Cb -0.14 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 3bfu s PRO 167 CO -0.01 -2.22 0.91 0.45 0.04 0.00 0.00 177.00 176.16 3bfu n SER 168 N -3.88 0.78 -0.74 6.66 2.88 -1.24 -4.90 113.62 113.17 3bfu n SER 168 Ca 0.07 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.86 3bfu n SER 168 Cb 0.55 -1.24 0.06 0.00 -0.75 0.00 0.00 64.21 62.83 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 0.04 0.00 -3.18 2.46 0.24 -1.26 -4.96 118.33 111.67 3bfu n VAL 169 Ca 0.11 -0.42 -0.31 0.00 -2.04 0.00 0.00 64.34 61.68 3bfu n VAL 169 Cb 0.32 1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 34.04 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 -2.04 3.44 0.22 6.34 0.08 -1.26 -3.80 117.98 120.96 3bfu s PHE 170 Ca 0.23 0.95 0.07 0.00 0.12 0.00 0.00 56.93 58.29 3bfu s PHE 170 Cb 0.18 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3bfu s PHE 170 CO 0.37 0.11 -0.10 0.14 -0.10 0.00 0.00 175.22 175.64 3bfu s VAL 171 N -2.06 1.60 0.09 -0.44 -7.23 -0.93 -4.87 120.40 106.56 3bfu s VAL 171 Ca 0.49 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 3bfu s VAL 171 Cb -0.11 -2.18 -0.25 0.00 0.56 0.00 0.00 36.38 34.41 3bfu s VAL 171 CO 0.25 -0.49 1.19 0.03 -0.31 0.00 0.00 175.10 175.77 3bfu h ARG 172 N 2.49 0.15 -4.19 4.82 3.08 -1.96 0.45 114.38 119.22 3bfu h ARG 172 Ca -0.38 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.27 3bfu h ARG 172 Cb 1.22 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.22 3bfu h ARG 172 CO 0.64 1.12 -0.57 0.95 -1.07 0.00 0.00 179.97 181.04 3bfu s THR 173 N -2.68 0.14 0.30 2.04 -4.23 -1.26 -4.74 115.64 105.21 3bfu s THR 173 Ca -0.02 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3bfu s THR 173 Cb 0.08 -1.73 0.27 0.00 1.34 0.00 0.00 72.50 72.46 3bfu s THR 173 CO 0.85 -0.65 1.95 0.74 -0.54 0.00 0.00 174.62 176.98 3bfu h THR 174 N 2.89 1.17 -0.97 3.99 2.02 -1.95 -1.69 112.91 118.37 3bfu h THR 174 Ca -0.34 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 66.51 3bfu h THR 174 Cb 1.18 -0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3bfu h THR 174 CO 0.59 0.20 0.63 0.00 0.37 0.00 0.00 175.52 177.31 3bfu h ALA 175 N 1.48 1.31 -0.27 6.16 0.00 -1.96 -0.46 119.26 125.53 3bfu h ALA 175 Ca 0.33 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3bfu h ALA 175 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3bfu h ALA 175 CO -0.09 0.47 -0.27 0.93 0.00 0.00 0.00 179.25 180.29 3bfu h GLU 176 N 1.19 0.53 -0.29 0.00 5.08 -1.73 -0.97 114.58 118.38 3bfu h GLU 176 Ca 0.40 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3bfu h GLU 176 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3bfu h GLU 176 CO -0.14 0.75 -0.03 0.78 -1.00 0.00 0.00 179.01 179.37 3bfu h GLY 177 N 1.03 0.58 0.96 -3.84 0.00 -0.80 -1.88 103.07 99.11 3bfu h GLY 177 Ca 0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3bfu h GLY 177 CO 0.05 0.41 0.16 -2.08 0.00 0.00 0.00 176.54 175.09 3bfu h VAL 178 N 0.32 1.13 -0.89 4.60 2.07 -0.95 -2.08 116.25 120.44 3bfu h VAL 178 Ca 0.08 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3bfu h VAL 178 Cb 0.48 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3bfu h VAL 178 CO 0.02 0.13 0.57 0.00 0.02 0.00 0.00 177.57 178.31 3bfu h ALA 179 N 1.04 1.18 -0.63 1.67 0.00 -1.12 -1.26 119.26 120.13 3bfu h ALA 179 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3bfu h ALA 179 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3bfu h ALA 179 CO -0.02 0.42 0.21 -0.09 0.00 0.00 0.00 179.25 179.77 3bfu h ARG 180 N 1.11 0.96 -0.37 0.00 2.43 -1.03 -1.35 114.38 116.13 3bfu h ARG 180 Ca 0.36 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3bfu h ARG 180 Cb 0.02 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3bfu h ARG 180 CO -0.12 0.84 0.15 0.28 -1.51 0.00 0.00 179.97 179.60 3bfu h VAL 181 N 0.89 1.19 -0.02 0.20 2.07 -0.90 -1.65 116.25 118.04 3bfu h VAL 181 Ca 0.20 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3bfu h VAL 181 Cb 0.27 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3bfu h VAL 181 CO -0.01 0.21 -0.25 0.03 0.02 0.00 0.00 177.57 177.57 3bfu h ARG 182 N 0.45 0.03 -0.02 1.57 3.08 -0.99 -3.11 114.38 115.39 3bfu h ARG 182 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3bfu h ARG 182 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3bfu h ARG 182 CO -0.01 0.27 -0.38 0.36 -1.07 0.00 0.00 179.97 179.15 3bfu n LYS 183 N -4.23 1.44 -0.15 0.04 2.85 -0.53 -4.46 118.16 113.12 3bfu n LYS 183 Ca -0.02 -1.14 0.07 0.00 -1.05 0.00 0.00 58.31 56.17 3bfu n LYS 183 Cb 0.31 -1.45 0.21 0.00 -0.65 0.00 0.00 35.03 33.45 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 0.21 1.81 -4.08 -5.58 7.64 -0.63 -4.94 113.62 108.05 3bfu n SER 184 Ca 0.10 -1.92 -0.33 0.00 1.01 0.00 0.00 58.87 57.72 3bfu n SER 184 Cb 0.47 -0.20 -0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.47 -4.21 -0.98 1.43 5.02 -1.26 -0.64 118.16 117.99 3bfu n LYS 185 Ca 0.13 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3bfu n LYS 185 Cb 0.30 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 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 -1.55 0.82 0.63 0.72 0.00 -1.26 -4.89 105.19 99.67 3bfu n GLY 186 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.19 1.82 -3.77 1.61 4.76 0.19 -4.80 118.16 115.79 3bfu n LYS 187 Ca 0.00 -1.25 -0.15 0.00 -2.87 0.00 0.00 58.31 54.05 3bfu n LYS 187 Cb 0.01 -1.37 -0.15 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.68 -0.03 0.07 2.13 5.04 -1.26 -1.35 117.35 120.27 3bfu s TYR 188 Ca 0.30 0.23 0.09 0.00 -2.44 0.00 0.00 57.07 55.25 3bfu s TYR 188 Cb 0.16 -0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.25 3bfu s TYR 188 CO 0.24 -0.11 -0.24 0.00 -1.34 0.00 0.00 175.55 174.10 3bfu s ALA 189 N 1.07 2.39 -0.09 3.97 0.00 -0.37 -4.58 121.76 124.15 3bfu s ALA 189 Ca -0.09 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.61 3bfu s ALA 189 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3bfu s ALA 189 CO -0.04 0.55 -0.20 -0.47 0.00 0.00 0.00 175.76 175.60 3bfu s TYR 190 N -0.91 2.62 -0.35 0.00 5.04 -0.20 -2.97 117.35 120.58 3bfu s TYR 190 Ca 0.13 -0.70 -0.14 0.00 -2.44 0.00 0.00 57.07 53.92 3bfu s TYR 190 Cb -0.10 -1.70 -0.01 0.00 0.35 0.00 0.00 41.96 40.50 3bfu s TYR 190 CO 0.04 -0.21 0.30 -0.51 -1.34 0.00 0.00 175.55 173.83 3bfu s LEU 191 N 0.03 4.57 0.30 6.97 1.43 -0.45 -0.41 118.68 131.12 3bfu s LEU 191 Ca -0.07 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3bfu s LEU 191 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 3bfu s LEU 191 CO 0.05 -0.31 0.43 -1.48 0.23 0.00 0.00 176.35 175.27 3bfu s LEU 192 N 1.84 0.89 0.27 1.79 2.34 -0.70 -4.36 118.68 120.74 3bfu s LEU 192 Ca 0.08 -1.35 -0.29 0.00 0.06 0.00 0.00 54.13 52.63 3bfu s LEU 192 Cb -0.17 1.38 -0.09 0.00 -0.56 0.00 0.00 46.19 46.74 3bfu s LEU 192 CO 0.11 -1.20 1.18 -1.61 -1.06 0.00 0.00 176.35 173.78 3bfu s GLU 193 N -3.43 4.52 0.40 1.48 2.02 -1.26 0.62 118.70 123.05 3bfu s GLU 193 Ca 0.30 1.93 0.21 0.00 0.02 0.00 0.00 54.97 57.43 3bfu s GLU 193 Cb 0.01 -3.17 1.18 0.00 0.10 0.00 0.00 34.13 32.24 3bfu s GLU 193 CO 0.17 0.02 1.72 0.66 0.02 0.00 0.00 175.26 177.85 3bfu h SER 194 N 4.14 0.41 0.24 -0.19 4.64 -0.79 -1.73 113.55 120.26 3bfu h SER 194 Ca -0.47 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3bfu h SER 194 Cb 1.22 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3bfu h SER 194 CO 0.69 0.00 -0.13 0.71 -0.87 0.00 0.00 176.83 177.23 3bfu h THR 195 N 0.32 0.74 -0.66 2.95 1.35 -1.88 0.23 112.91 115.96 3bfu h THR 195 Ca 0.66 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.44 3bfu h THR 195 Cb 1.78 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 3bfu h THR 195 CO -0.36 0.00 0.10 0.24 -0.25 0.00 0.00 175.52 175.25 3bfu h MET 196 N -0.34 1.08 0.27 4.72 2.86 -1.69 -2.02 114.93 119.81 3bfu h MET 196 Ca -0.03 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3bfu h MET 196 Cb 0.27 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3bfu h MET 196 CO 0.04 1.00 -0.25 -0.97 1.06 0.00 0.00 176.91 177.79 3bfu h ASN 197 N 1.01 -0.66 -0.56 1.22 -0.73 -1.17 -0.80 115.58 113.88 3bfu h ASN 197 Ca 0.20 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.48 3bfu h ASN 197 Cb 0.44 0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 3bfu h ASN 197 CO 0.01 -0.37 0.37 -0.33 -0.37 0.00 0.00 177.43 176.75 3bfu h GLU 198 N -0.54 0.57 0.09 6.67 5.08 -0.42 -1.44 114.58 124.59 3bfu h GLU 198 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bfu h GLU 198 Cb 0.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3bfu h GLU 198 CO -0.04 0.37 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.38 3bfu h TYR 199 N 0.58 -0.11 0.00 4.33 3.20 -0.95 -3.15 116.97 120.88 3bfu h TYR 199 Ca 0.23 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3bfu h TYR 199 Cb 0.20 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3bfu h TYR 199 CO -0.00 0.25 -0.00 0.82 -1.64 0.00 0.00 178.16 177.59 3bfu h ILE 200 N -0.49 0.93 0.00 1.81 1.08 -0.73 -1.44 117.51 118.67 3bfu h ILE 200 Ca -0.01 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3bfu h ILE 200 Cb 0.41 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 3bfu h ILE 200 CO 0.02 0.00 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.32 3bfu h GLU 201 N 0.00 0.00 -0.58 2.37 4.81 -1.23 -2.20 114.58 117.75 3bfu h GLU 201 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3bfu h GLU 201 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 3bfu h GLU 201 CO 0.00 0.08 0.14 1.04 -0.73 0.00 0.00 179.01 179.54 3bfu n GLN 202 N -3.45 3.62 -5.11 1.92 1.13 -0.54 -4.83 117.38 110.12 3bfu n GLN 202 Ca -0.02 -3.07 -0.31 0.00 -1.94 0.00 0.00 57.00 51.66 3bfu n GLN 202 Cb 0.23 -2.12 -0.15 0.00 0.11 0.00 0.00 30.24 28.30 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 -2.95 2.17 0.70 -1.09 1.81 -0.83 0.40 118.95 119.16 3bfu s ARG 203 Ca 0.52 -0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 53.48 3bfu s ARG 203 Cb 0.42 -2.13 0.02 0.00 -0.45 0.00 0.00 34.95 32.81 3bfu s ARG 203 CO 0.12 0.57 1.17 0.15 -0.68 0.00 0.00 175.30 176.62 3bfu s LYS 204 N -0.78 2.44 0.00 3.54 1.02 -1.26 -0.93 119.74 123.77 3bfu s LYS 204 Ca 0.11 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.71 3bfu s LYS 204 Cb -0.10 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3bfu s LYS 204 CO 0.00 -1.57 0.73 -0.35 -0.92 0.00 0.00 175.35 173.24 3bfu n PRO 205 N -2.54 0.92 -4.02 -1.68 -0.04 -1.26 -4.94 135.00 121.43 3bfu n PRO 205 Ca 0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 3bfu n PRO 205 Cb 0.51 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.90 2.24 -4.61 0.00 5.75 -1.26 -5.00 116.55 110.77 3bfu n ASP 207 Ca -0.29 -1.79 -0.24 0.00 -0.01 0.00 0.00 54.79 52.45 3bfu n ASP 207 Cb 0.68 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.87 3.31 -0.04 2.12 -4.23 -1.26 -0.20 115.64 114.47 3bfu s THR 208 Ca 0.11 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.68 3bfu s THR 208 Cb 0.06 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3bfu s THR 208 CO 0.09 -0.29 0.21 -0.32 -0.54 0.00 0.00 174.62 173.77 3bfu s MET 209 N -3.37 0.41 -0.14 3.99 1.75 -0.12 -4.75 119.30 117.07 3bfu s MET 209 Ca 0.29 -0.02 -0.18 0.00 -1.25 0.00 0.00 55.69 54.54 3bfu s MET 209 Cb -0.07 0.18 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 3bfu s MET 209 CO 0.18 -0.09 0.46 0.21 -0.65 0.00 0.00 175.02 175.13 3bfu s LYS 210 N -0.65 4.30 0.03 4.11 2.20 -1.26 -1.35 119.74 127.11 3bfu s LYS 210 Ca -0.07 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.98 3bfu s LYS 210 Cb -0.04 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3bfu s LYS 210 CO 0.01 0.10 -0.17 0.14 -0.36 0.00 0.00 175.35 175.07 3bfu s VAL 211 N 0.82 1.40 0.02 4.02 -7.23 -0.85 -5.01 120.40 113.57 3bfu s VAL 211 Ca 0.24 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3bfu s VAL 211 Cb -0.15 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.57 3bfu s VAL 211 CO 0.09 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 3bfu n GLY 212 N 2.03 -1.48 3.95 2.32 0.00 -1.21 -4.13 105.19 106.66 3bfu n GLY 212 Ca -0.17 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.05 1.64 0.49 -0.02 0.00 -1.26 -4.92 107.32 100.19 3bfu s GLY 213 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 44.72 43.49 3bfu s GLY 213 CO 0.00 -0.77 1.19 -1.31 0.00 0.00 0.00 173.10 172.21 3bfu s ASN 214 N -4.30 5.95 0.30 1.64 0.01 -1.26 -4.85 114.94 112.43 3bfu s ASN 214 Ca 0.52 2.36 0.25 0.00 -0.71 0.00 0.00 52.86 55.29 3bfu s ASN 214 Cb -0.10 -2.60 0.71 0.00 0.41 0.00 0.00 41.25 39.66 3bfu s ASN 214 CO 0.40 -1.07 1.73 -0.07 -1.51 0.00 0.00 177.10 176.58 3bfu h LEU 215 N 1.82 0.00 -8.03 0.60 4.07 -1.45 -3.48 115.31 108.84 3bfu h LEU 215 Ca -0.50 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.44 3bfu h LEU 215 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 3bfu h LEU 215 CO 0.59 0.00 0.25 1.51 -1.08 0.00 0.00 178.44 179.71 3bfu s ASP 216 N -5.08 0.03 -0.06 -0.43 -4.77 -1.26 -4.94 116.67 100.15 3bfu s ASP 216 Ca 0.08 -1.13 -0.01 0.00 -3.30 0.00 0.00 52.55 48.20 3bfu s ASP 216 Cb 0.10 0.83 0.03 0.00 -1.09 0.00 0.00 42.92 42.79 3bfu s ASP 216 CO 0.60 -1.65 -0.01 -0.44 0.70 0.00 0.00 175.17 174.37 3bfu s SER 217 N -3.07 1.41 0.00 2.11 0.01 -1.26 -4.18 113.70 108.72 3bfu s SER 217 Ca 0.16 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3bfu s SER 217 Cb -0.05 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3bfu s SER 217 CO 0.12 -0.16 0.00 2.29 0.41 0.00 0.00 173.24 175.90 3bfu n LYS 218 N 4.87 0.00 -3.81 12.44 2.85 0.17 -5.01 118.16 129.67 3bfu n LYS 218 Ca -0.12 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 3bfu n LYS 218 Cb 0.50 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.85 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 -0.28 0.02 -0.03 2.58 0.00 -1.26 -1.33 107.32 107.02 3bfu s GLY 219 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.27 3bfu s GLY 219 CO 0.00 -0.28 0.29 -0.19 0.00 0.00 0.00 173.10 172.92 3bfu s TYR 220 N -3.91 3.64 0.12 1.90 2.02 -0.68 -1.23 117.35 119.20 3bfu s TYR 220 Ca 0.12 0.73 0.04 0.00 -0.37 0.00 0.00 57.07 57.60 3bfu s TYR 220 Cb -0.02 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 3bfu s TYR 220 CO 0.02 0.65 -0.11 0.20 -1.57 0.00 0.00 175.55 174.74 3bfu s GLY 221 N -1.28 0.96 -0.12 0.71 0.00 -0.78 -1.09 107.32 105.73 3bfu s GLY 221 Ca 0.23 -1.32 -0.24 0.00 0.00 0.00 0.00 44.72 43.39 3bfu s GLY 221 CO 0.12 -1.40 0.75 -0.42 0.00 0.00 0.00 173.10 172.14 3bfu s ILE 222 N -2.74 4.98 0.06 0.90 1.01 -1.26 -4.51 121.20 119.64 3bfu s ILE 222 Ca 0.10 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.26 3bfu s ILE 222 Cb -0.01 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3bfu s ILE 222 CO 0.01 0.15 0.11 0.00 0.00 0.00 0.00 174.94 175.21 3bfu s ALA 223 N 1.43 3.67 0.05 9.38 0.00 -0.72 -1.14 121.76 134.43 3bfu s ALA 223 Ca 0.37 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 3bfu s ALA 223 Cb -0.17 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 3bfu s ALA 223 CO 0.15 0.76 0.07 0.95 0.00 0.00 0.00 175.76 177.69 3bfu s THR 224 N -1.38 0.15 0.45 0.00 -4.23 -0.71 -0.24 115.64 109.69 3bfu s THR 224 Ca 0.29 -1.27 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3bfu s THR 224 Cb -0.12 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.55 3bfu s THR 224 CO 0.22 -0.70 1.29 -2.65 -0.54 0.00 0.00 174.62 172.23 3bfu n PRO 225 N 0.53 1.87 -1.65 3.99 -0.02 -1.26 -1.18 135.00 137.28 3bfu n PRO 225 Ca -0.17 0.67 -0.50 0.00 -2.02 0.00 0.00 63.50 61.48 3bfu n PRO 225 Cb 0.59 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3bfu n PRO 225 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bfu n LYS 226 N -0.20 1.66 -0.60 -0.52 4.81 -1.26 -0.70 118.16 121.36 3bfu n LYS 226 Ca 0.07 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3bfu n LYS 226 Cb 0.41 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 3.33 1.42 3.66 3.14 0.00 -1.26 -4.98 105.19 110.50 3bfu n GLY 227 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3bfu n GLY 227 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bfu n SER 228 N 0.00 2.38 0.07 1.61 2.88 0.13 -4.89 113.62 115.79 3bfu n SER 228 Ca 0.00 1.18 0.01 0.00 -1.33 0.00 0.00 58.87 58.73 3bfu n SER 228 Cb 0.00 -1.41 0.33 0.00 -0.75 0.00 0.00 64.21 62.38 3bfu n SER 228 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3bfu h SER 229 N 2.96 0.34 0.38 -3.46 4.64 -1.95 -2.77 113.55 113.69 3bfu h SER 229 Ca -0.44 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 3bfu h SER 229 Cb 1.30 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3bfu h SER 229 CO 0.66 0.48 -0.08 0.25 -0.87 0.00 0.00 176.83 177.27 3bfu h LEU 230 N 0.34 0.00 -0.39 5.97 5.85 -1.96 -3.33 115.31 121.78 3bfu h LEU 230 Ca 0.07 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3bfu h LEU 230 Cb 0.40 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 3bfu h LEU 230 CO 0.02 0.08 -0.35 1.23 -0.34 0.00 0.00 178.44 179.09 3bfu h GLY 231 N 0.84 -0.32 1.00 3.75 0.00 -1.86 -2.14 103.07 104.34 3bfu h GLY 231 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3bfu h GLY 231 CO 0.01 -0.20 0.41 -0.57 0.00 0.00 0.00 176.54 176.19 3bfu h ASN 232 N -0.27 0.77 -0.67 0.19 -0.73 -1.80 -1.58 115.58 111.48 3bfu h ASN 232 Ca 0.16 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 3bfu h ASN 232 Cb 0.55 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 3bfu h ASN 232 CO -0.54 0.58 0.12 0.00 -0.37 0.00 0.00 177.43 177.22 3bfu h ALA 233 N 1.22 0.88 -0.65 1.57 0.00 -1.74 -2.29 119.26 118.25 3bfu h ALA 233 Ca 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3bfu h ALA 233 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3bfu h ALA 233 CO -0.05 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.35 3bfu h VAL 234 N 1.02 1.24 -0.15 0.00 2.07 -1.14 -0.85 116.25 118.44 3bfu h VAL 234 Ca 0.20 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3bfu h VAL 234 Cb 0.43 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3bfu h VAL 234 CO 0.01 0.31 0.09 -1.13 0.02 0.00 0.00 177.57 176.87 3bfu h ASN 235 N 0.92 0.18 -0.26 0.57 -1.24 -1.08 -0.38 115.58 114.29 3bfu h ASN 235 Ca 0.21 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 3bfu h ASN 235 Cb 0.26 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3bfu h ASN 235 CO -0.01 0.18 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.23 3bfu h LEU 236 N 0.16 0.55 -0.60 0.34 3.38 -1.28 -2.04 115.31 115.81 3bfu h LEU 236 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3bfu h LEU 236 Cb 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3bfu h LEU 236 CO -0.01 0.62 0.24 0.00 0.09 0.00 0.00 178.44 179.38 3bfu h ALA 237 N 1.45 0.78 -0.26 1.53 0.00 -0.65 -1.01 119.26 121.10 3bfu h ALA 237 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bfu h ALA 237 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bfu h ALA 237 CO 0.01 0.39 0.14 0.28 0.00 0.00 0.00 179.25 180.08 3bfu h VAL 238 N 0.83 1.12 -0.74 0.00 2.07 -0.58 -1.23 116.25 117.72 3bfu h VAL 238 Ca 0.20 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3bfu h VAL 238 Cb 0.20 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3bfu h VAL 238 CO -0.02 0.12 0.39 -0.07 0.02 0.00 0.00 177.57 178.01 3bfu h LEU 239 N 0.30 0.95 -0.34 2.57 3.38 -1.15 -1.57 115.31 119.46 3bfu h LEU 239 Ca 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3bfu h LEU 239 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3bfu h LEU 239 CO -0.01 0.79 0.17 0.50 0.09 0.00 0.00 178.44 179.98 3bfu h LYS 240 N 1.04 0.49 -0.79 1.13 3.64 -0.99 -0.98 116.57 120.10 3bfu h LYS 240 Ca 0.26 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3bfu h LYS 240 Cb 0.07 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3bfu h LYS 240 CO -0.04 0.44 0.47 -0.07 -2.27 0.00 0.00 179.45 177.98 3bfu h LEU 241 N 0.41 0.97 -0.24 5.20 3.38 -0.98 -1.39 115.31 122.66 3bfu h LEU 241 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bfu h LEU 241 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3bfu h LEU 241 CO -0.02 0.76 0.07 -1.13 0.09 0.00 0.00 178.44 178.21 3bfu h ASN 242 N 1.09 0.36 0.54 -0.43 -1.24 -1.00 -1.48 115.58 113.42 3bfu h ASN 242 Ca 0.28 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 3bfu h ASN 242 Cb -0.02 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 3bfu h ASN 242 CO -0.05 0.48 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.21 3bfu h GLU 243 N 0.22 0.00 -0.01 6.67 5.08 -0.88 -1.01 114.58 124.66 3bfu h GLU 243 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3bfu h GLU 243 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3bfu h GLU 243 CO -0.00 0.03 -0.13 1.04 -1.00 0.00 0.00 179.01 178.95 3bfu n GLN 244 N -3.21 0.83 -1.00 2.33 6.02 -0.55 -4.89 117.38 116.90 3bfu n GLN 244 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 3bfu n GLN 244 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.27 0.48 0.26 1.08 0.00 -0.38 -4.93 105.19 102.98 3bfu n GLY 245 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.92 -0.73 0.99 6.46 -1.46 -2.78 115.31 118.72 3bfu h LEU 246 Ca 0.00 -0.40 -0.07 0.00 -0.12 0.00 0.00 57.88 57.29 3bfu h LEU 246 Cb 0.05 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 3bfu h LEU 246 CO 0.00 1.12 0.19 -0.07 -0.62 0.00 0.00 178.44 179.06 3bfu h LEU 247 N 0.72 1.09 -0.73 2.25 3.38 -1.83 -1.71 115.31 118.50 3bfu h LEU 247 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3bfu h LEU 247 Cb 0.77 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3bfu h LEU 247 CO 0.06 1.03 0.46 0.44 0.09 0.00 0.00 178.44 180.53 3bfu h ASP 248 N 1.10 0.85 -0.28 -0.43 5.19 -1.87 -0.99 116.42 119.99 3bfu h ASP 248 Ca 0.23 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 3bfu h ASP 248 Cb 0.36 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3bfu h ASP 248 CO -0.00 0.64 -0.20 0.11 -3.12 0.00 0.00 179.24 176.67 3bfu h LYS 249 N 0.99 0.74 -0.31 3.56 1.57 -1.20 -1.96 116.57 119.96 3bfu h LYS 249 Ca 0.26 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3bfu h LYS 249 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3bfu h LYS 249 CO -0.05 0.88 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.41 3bfu h LEU 250 N 0.65 0.60 0.02 2.94 3.38 -0.94 0.16 115.31 122.13 3bfu h LEU 250 Ca 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3bfu h LEU 250 Cb 0.69 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3bfu h LEU 250 CO 0.05 0.82 -0.01 0.50 0.09 0.00 0.00 178.44 179.89 3bfu h LYS 251 N 0.53 -0.02 -0.77 1.13 1.63 -0.89 -2.26 116.57 115.92 3bfu h LYS 251 Ca 0.08 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3bfu h LYS 251 Cb 0.67 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 3bfu h LYS 251 CO 0.05 0.07 0.31 -0.91 -3.45 0.00 0.00 179.45 175.53 3bfu h ASN 252 N -0.12 1.05 -0.33 4.20 2.35 -1.15 -1.14 115.58 120.45 3bfu h ASN 252 Ca -0.00 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3bfu h ASN 252 Cb 0.11 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 3bfu h ASN 252 CO 0.00 0.93 -0.01 0.50 -1.65 0.00 0.00 177.43 177.21 3bfu h LYS 253 N 1.10 0.08 -0.01 0.81 3.64 -0.78 0.24 116.57 121.67 3bfu h LYS 253 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3bfu h LYS 253 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3bfu h LYS 253 CO -0.02 0.06 -0.43 0.91 -2.27 0.00 0.00 179.45 177.69 3bfu n TRP 254 N -5.18 0.00 -0.05 1.91 7.02 -0.87 -4.26 117.44 116.01 3bfu n TRP 254 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 3bfu n TRP 254 Cb 0.17 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.73 0.00 -0.05 -5.99 8.01 -0.44 -4.84 117.44 113.40 3bfu n TRP 255 Ca 0.09 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.23 3bfu n TRP 255 Cb 0.37 -0.37 -0.07 0.00 -2.01 0.00 0.00 31.31 29.23 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 -3.64 0.00 -0.18 -5.99 4.01 -0.78 -4.15 117.16 106.44 3bfu n TYR 256 Ca -0.19 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.73 3bfu n TYR 256 Cb 0.55 -0.49 0.54 0.00 -0.31 0.00 0.00 39.34 39.63 3bfu n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3bfu h ASP 257 N 0.00 0.33 -0.47 7.72 3.32 -0.72 -2.05 116.42 124.53 3bfu h ASP 257 Ca -0.27 0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.45 3bfu h ASP 257 Cb 1.57 -0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.78 3bfu h ASP 257 CO 0.00 0.15 -0.77 0.29 -1.72 0.00 0.00 179.24 177.19 3bfu n LYS 258 N -4.46 2.70 -1.99 3.56 5.02 -1.26 -5.05 118.16 116.68 3bfu n LYS 258 Ca 0.16 -3.77 -0.38 0.00 -2.02 0.00 0.00 58.31 52.30 3bfu n LYS 258 Cb 0.63 -1.93 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3bfu n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bfu s GLY 259 N -3.44 2.86 -0.10 0.72 0.00 -0.78 -4.92 107.32 101.66 3bfu s GLY 259 Ca 0.44 1.19 0.17 0.00 0.00 0.00 0.00 44.72 46.53 3bfu s GLY 259 CO -0.01 1.70 1.56 1.18 0.00 0.00 0.00 173.10 177.53 3bfu n GLU 260 N -0.61 3.50 -0.85 2.90 1.02 0.16 -4.44 120.64 122.32 3bfu n GLU 260 Ca 0.08 -2.77 0.02 0.00 -0.02 0.00 0.00 57.16 54.47 3bfu n GLU 260 Cb 0.46 -1.79 0.17 0.00 -0.02 0.00 0.00 31.44 30.26 3bfu n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31