#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpf s ASN 3 N 0.00 7.36 0.03 3.17 3.04 -1.26 -4.56 114.94 122.71 3bpf s ASN 3 Ca 0.00 1.64 -0.25 0.00 0.04 0.00 0.00 52.86 54.29 3bpf s ASN 3 Cb 0.00 -2.56 -0.17 0.00 -1.54 0.00 0.00 41.25 36.97 3bpf s ASN 3 CO 0.00 -0.26 1.42 0.10 -3.04 0.00 0.00 177.10 175.32 3bpf h TYR 4 N 6.80 -0.19 -0.13 0.43 -0.00 -1.98 -2.52 116.97 119.37 3bpf h TYR 4 Ca -0.41 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.26 3bpf h TYR 4 Cb 1.22 0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 38.00 3bpf h TYR 4 CO 0.68 0.09 -0.16 1.05 -0.00 0.00 0.00 178.16 179.82 3bpf h GLU 5 N -0.47 0.21 -0.02 0.10 4.11 -1.98 -1.03 114.58 115.50 3bpf h GLU 5 Ca -0.02 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.23 3bpf h GLU 5 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3bpf h GLU 5 CO 0.03 0.38 -0.59 1.49 0.07 0.00 0.00 179.01 180.39 3bpf h GLU 6 N 0.20 0.08 0.22 1.06 4.81 -1.98 -3.02 114.58 115.95 3bpf h GLU 6 Ca 0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3bpf h GLU 6 Cb 0.41 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3bpf h GLU 6 CO 0.03 0.65 -0.11 0.28 -0.73 0.00 0.00 179.01 179.13 3bpf h VAL 7 N 0.06 0.85 -0.25 0.32 2.07 -0.74 -3.18 116.25 115.38 3bpf h VAL 7 Ca -0.01 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3bpf h VAL 7 Cb 1.06 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3bpf h VAL 7 CO 0.08 0.13 -0.08 0.16 0.02 0.00 0.00 177.57 177.88 3bpf h ILE 8 N -0.62 1.20 0.00 4.57 3.07 -1.59 -2.94 117.51 121.20 3bpf h ILE 8 Ca -0.03 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.55 3bpf h ILE 8 Cb 0.44 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3bpf h ILE 8 CO 0.05 0.27 0.00 0.29 -1.05 0.00 0.00 178.15 177.71 3bpf n LYS 9 N -4.26 0.34 -0.15 0.16 5.02 -1.14 -2.71 118.16 115.42 3bpf n LYS 9 Ca 0.00 0.08 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 3bpf n LYS 9 Cb 0.27 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3bpf n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bpf n LYS 10 N -1.26 1.64 0.00 1.97 5.02 -1.11 -5.08 118.16 119.33 3bpf n LYS 10 Ca 0.11 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 3bpf n LYS 10 Cb 0.17 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3bpf n LYS 10 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3bpf n TYR 11 N 0.06 0.00 0.00 2.13 4.01 -1.10 -5.15 117.16 117.11 3bpf n TYR 11 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3bpf n TYR 11 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3bpf n TYR 11 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bpf n ALA 20 N -3.00 0.00 -2.70 -0.72 0.00 -1.26 -5.19 120.51 107.64 3bpf n ALA 20 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3bpf n ALA 20 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3bpf n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bpf s ALA 21 N 0.00 -3.82 0.15 0.00 0.00 -1.26 -4.95 121.76 111.88 3bpf s ALA 21 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3bpf s ALA 21 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 3bpf s ALA 21 CO 0.00 -2.45 0.55 -0.47 0.00 0.00 0.00 175.76 173.39 3bpf s TYR 22 N 0.96 3.61 -0.14 0.00 5.04 -1.26 -4.86 117.35 120.70 3bpf s TYR 22 Ca 0.25 1.07 -0.05 0.00 -2.44 0.00 0.00 57.07 55.90 3bpf s TYR 22 Cb 0.09 -2.37 0.07 0.00 0.35 0.00 0.00 41.96 40.10 3bpf s TYR 22 CO -0.09 0.43 0.28 0.34 -1.34 0.00 0.00 175.55 175.18 3bpf s ASP 23 N -1.70 0.24 0.26 4.32 3.68 -1.26 0.11 116.67 122.32 3bpf s ASP 23 Ca 0.38 0.65 0.25 0.00 2.13 0.00 0.00 52.55 55.96 3bpf s ASP 23 Cb -0.15 0.78 0.90 0.00 -1.45 0.00 0.00 42.92 43.00 3bpf s ASP 23 CO 0.19 -0.23 1.75 -0.50 0.13 0.00 0.00 175.17 176.51 3bpf h TRP 24 N 8.21 0.00 -0.30 -5.34 4.06 -1.42 -2.15 115.95 119.01 3bpf h TRP 24 Ca -0.16 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.85 3bpf h TRP 24 Cb 1.12 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.22 3bpf h TRP 24 CO 0.36 0.00 -0.04 0.00 -3.56 0.00 0.00 178.44 175.20 3bpf h ARG 25 N 0.00 0.04 -0.84 0.49 3.08 -1.92 0.37 114.38 115.60 3bpf h ARG 25 Ca 0.00 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3bpf h ARG 25 Cb 0.57 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3bpf h ARG 25 CO 0.00 0.03 0.55 -0.07 -1.07 0.00 0.00 179.97 179.41 3bpf h LEU 26 N 0.04 0.92 -5.75 3.04 3.38 -1.78 -3.32 115.31 111.85 3bpf h LEU 26 Ca 0.14 -0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.41 3bpf h LEU 26 Cb 0.20 -0.22 -0.36 0.00 0.09 0.00 0.00 40.66 40.38 3bpf h LEU 26 CO -0.27 0.65 0.08 1.41 0.09 0.00 0.00 178.44 180.40 3bpf n HIS 27 N -4.54 3.48 -2.51 1.13 8.25 -1.12 -4.89 115.22 115.02 3bpf n HIS 27 Ca 0.10 -3.38 -0.18 0.00 -0.26 0.00 0.00 57.72 53.99 3bpf n HIS 27 Cb 0.06 -0.80 -0.00 0.00 1.12 0.00 0.00 29.99 30.37 3bpf n HIS 27 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3bpf n SER 28 N -0.10 -5.20 0.00 0.41 2.88 -1.23 -4.92 113.62 105.46 3bpf n SER 28 Ca 0.37 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 3bpf n SER 28 Cb 0.34 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.46 3bpf n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bpf n GLY 29 N -1.00 -0.24 3.71 0.46 0.00 0.13 -4.39 105.19 103.85 3bpf n GLY 29 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3bpf n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bpf s VAL 30 N -0.32 2.40 0.17 1.61 0.11 -1.17 -4.53 120.40 118.67 3bpf s VAL 30 Ca 0.00 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 3bpf s VAL 30 Cb 0.00 -2.39 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 3bpf s VAL 30 CO 0.00 -0.16 -0.05 0.42 -3.33 0.00 0.00 175.10 171.98 3bpf s THR 31 N -2.56 3.45 -0.19 5.04 -4.23 -1.26 -4.93 115.64 110.97 3bpf s THR 31 Ca 0.67 -1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 3bpf s THR 31 Cb -0.23 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.84 3bpf s THR 31 CO 0.55 -0.08 2.17 -0.81 -0.54 0.00 0.00 174.62 175.91 3bpf n PRO 32 N 0.07 2.02 -1.17 3.99 -0.04 -1.26 -4.87 135.00 133.73 3bpf n PRO 32 Ca -0.11 0.59 -0.40 0.00 -0.04 0.00 0.00 63.50 63.54 3bpf n PRO 32 Cb 0.55 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.87 3bpf n PRO 32 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3bpf n VAL 33 N 7.29 1.60 -4.03 0.52 3.14 -1.26 -5.01 118.33 120.57 3bpf n VAL 33 Ca 0.29 -0.40 -0.25 0.00 -2.96 0.00 0.00 64.34 61.02 3bpf n VAL 33 Cb 0.42 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.14 3bpf n VAL 33 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3bpf s LYS 34 N -0.80 2.28 -0.42 1.45 1.02 -1.26 -4.71 119.74 117.29 3bpf s LYS 34 Ca 0.54 -1.87 -0.07 0.00 0.02 0.00 0.00 55.97 54.60 3bpf s LYS 34 Cb -0.79 -2.04 0.10 0.00 -0.52 0.00 0.00 37.83 34.58 3bpf s LYS 34 CO 0.47 -0.24 0.25 0.34 -0.92 0.00 0.00 175.35 175.25 3bpf s ASP 35 N -4.01 5.51 0.42 2.83 3.68 -1.24 -1.80 116.67 122.06 3bpf s ASP 35 Ca 0.38 -1.75 0.27 0.00 2.13 0.00 0.00 52.55 53.58 3bpf s ASP 35 Cb 0.01 -1.93 1.36 0.00 -1.45 0.00 0.00 42.92 40.91 3bpf s ASP 35 CO 0.22 -0.57 1.63 -0.61 0.13 0.00 0.00 175.17 175.97 3bpf h GLN 36 N 8.30 0.12 0.00 4.34 4.15 0.21 -3.46 115.11 128.76 3bpf h GLN 36 Ca -0.20 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3bpf h GLN 36 Cb 1.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3bpf h GLN 36 CO 0.76 0.08 0.00 1.63 -1.93 0.00 0.00 178.83 179.36 3bpf n LYS 37 N -4.78 0.00 -2.78 1.69 5.02 -1.26 -3.97 118.16 112.08 3bpf n LYS 37 Ca 0.36 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.22 3bpf n LYS 37 Cb 1.34 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.32 3bpf n LYS 37 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3bpf s ASN 38 N -4.00 6.55 -0.30 4.39 2.47 -1.26 -4.77 114.94 118.02 3bpf s ASN 38 Ca 0.00 -1.73 -0.15 0.00 0.42 0.00 0.00 52.86 51.39 3bpf s ASN 38 Cb 0.00 -2.47 0.18 0.00 -1.45 0.00 0.00 41.25 37.52 3bpf s ASN 38 CO 0.00 -1.26 1.17 0.00 -3.72 0.00 0.00 177.10 173.29 3bpf n GLY 40 N 4.60 1.20 2.19 0.00 0.00 -0.92 -4.53 105.19 107.72 3bpf n GLY 40 Ca 0.09 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3bpf n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bpf n SER 41 N 6.11 4.97 -0.07 1.61 3.41 -1.26 -2.16 113.62 126.23 3bpf n SER 41 Ca 0.15 -3.74 -0.10 0.00 -0.26 0.00 0.00 58.87 54.92 3bpf n SER 41 Cb 0.14 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3bpf n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bpf h TRP 43 N 0.30 0.87 0.38 0.00 5.08 -1.86 0.17 115.95 120.90 3bpf h TRP 43 Ca 0.09 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 60.07 3bpf h TRP 43 Cb 0.02 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 25.96 3bpf h TRP 43 CO -0.05 -0.18 -0.18 0.00 -1.28 0.00 0.00 178.44 176.75 3bpf h ALA 44 N 1.82 -0.52 -0.52 0.11 0.00 -1.79 -2.84 119.26 115.51 3bpf h ALA 44 Ca 0.74 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 3bpf h ALA 44 Cb 1.78 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3bpf h ALA 44 CO -0.58 -0.66 0.23 0.74 0.00 0.00 0.00 179.25 178.98 3bpf h PHE 45 N -0.79 0.78 -0.64 0.00 -1.00 -1.14 -1.60 116.94 112.57 3bpf h PHE 45 Ca -0.05 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.69 3bpf h PHE 45 Cb 0.53 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.81 3bpf h PHE 45 CO 0.01 0.63 0.41 1.03 -1.61 0.00 0.00 178.31 178.78 3bpf h SER 46 N 0.71 0.68 0.05 2.17 0.87 -0.80 0.13 113.55 117.36 3bpf h SER 46 Ca 0.18 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3bpf h SER 46 Cb 0.17 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3bpf h SER 46 CO -0.02 0.49 -0.02 0.77 -0.53 0.00 0.00 176.83 177.52 3bpf h SER 47 N 0.82 -0.05 -0.45 6.23 4.64 -1.42 -2.45 113.55 120.87 3bpf h SER 47 Ca 0.24 -0.41 0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3bpf h SER 47 Cb -0.04 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3bpf h SER 47 CO -0.08 0.63 0.32 0.40 -0.87 0.00 0.00 176.83 177.23 3bpf h ILE 48 N -0.98 0.79 0.24 0.95 1.08 -1.37 -1.93 117.51 116.29 3bpf h ILE 48 Ca -0.01 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3bpf h ILE 48 Cb 0.46 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3bpf h ILE 48 CO 0.01 0.00 -0.14 1.23 -0.69 0.00 0.00 178.15 178.57 3bpf h GLY 49 N 0.03 -0.52 -0.82 5.37 0.00 -0.73 -2.73 103.07 103.67 3bpf h GLY 49 Ca 0.21 0.21 0.38 0.00 0.00 0.00 0.00 47.33 48.13 3bpf h GLY 49 CO -0.01 -0.18 0.64 1.76 0.00 0.00 0.00 176.54 178.74 3bpf h SER 50 N -0.35 0.38 0.04 0.19 0.02 -0.85 0.62 113.55 113.59 3bpf h SER 50 Ca -0.03 0.20 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 3bpf h SER 50 Cb 0.28 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3bpf h SER 50 CO 0.04 -0.24 -0.54 -0.37 -1.14 0.00 0.00 176.83 174.59 3bpf h VAL 51 N 0.16 1.32 -0.61 2.27 -1.51 -1.48 -2.82 116.25 113.59 3bpf h VAL 51 Ca 0.79 -1.78 0.04 0.00 -1.23 0.00 0.00 66.70 64.52 3bpf h VAL 51 Cb 2.09 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 32.96 3bpf h VAL 51 CO -0.60 0.55 0.35 -0.33 -1.23 0.00 0.00 177.57 176.32 3bpf h GLU 52 N 0.42 0.66 0.05 5.19 5.08 0.56 -1.02 114.58 125.52 3bpf h GLU 52 Ca 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3bpf h GLU 52 Cb 1.07 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3bpf h GLU 52 CO 0.10 0.44 -0.29 0.77 -1.00 0.00 0.00 179.01 179.03 3bpf h SER 53 N 0.68 -0.88 -0.91 1.42 0.02 -1.35 -2.52 113.55 110.01 3bpf h SER 53 Ca 0.26 0.09 0.19 0.00 -0.84 0.00 0.00 61.79 61.50 3bpf h SER 53 Cb 0.08 0.33 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 3bpf h SER 53 CO -0.13 -0.30 0.60 1.56 -1.14 0.00 0.00 176.83 177.41 3bpf h GLN 54 N -0.40 0.46 0.00 3.45 1.08 -1.20 0.88 115.11 119.39 3bpf h GLN 54 Ca -0.00 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3bpf h GLN 54 Cb 0.41 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3bpf h GLN 54 CO -0.17 0.31 -0.19 1.88 -0.95 0.00 0.00 178.83 179.70 3bpf h TYR 55 N 0.48 0.00 0.00 2.96 -1.99 -0.92 0.69 116.97 118.19 3bpf h TYR 55 Ca 0.48 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 61.01 3bpf h TYR 55 Cb 1.09 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.79 3bpf h TYR 55 CO -0.00 0.19 -1.13 0.00 -0.00 0.00 0.00 178.16 177.22 3bpf h ALA 56 N 1.81 0.23 0.00 3.88 0.00 -0.07 -3.10 119.26 122.00 3bpf h ALA 56 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3bpf h ALA 56 Cb 0.65 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3bpf h ALA 56 CO 0.03 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.75 3bpf h ILE 57 N -1.00 0.00 0.00 0.00 2.04 0.68 -2.69 117.51 116.55 3bpf h ILE 57 Ca -0.30 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 3bpf h ILE 57 Cb 1.20 0.76 -0.26 0.00 -0.74 0.00 0.00 36.82 37.79 3bpf h ILE 57 CO -0.18 0.00 -0.85 0.54 0.00 0.00 0.00 178.15 177.66 3bpf n ARG 58 N -2.40 0.53 -3.60 2.37 5.12 0.24 -4.99 116.66 113.93 3bpf n ARG 58 Ca -0.00 -2.42 0.01 0.00 -1.93 0.00 0.00 57.85 53.50 3bpf n ARG 58 Cb 0.12 -0.54 -0.01 0.00 -1.16 0.00 0.00 32.46 30.87 3bpf n ARG 58 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3bpf s LYS 59 N -1.08 0.07 -0.23 5.56 1.02 -1.01 -4.90 119.74 119.17 3bpf s LYS 59 Ca 0.35 -0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.26 3bpf s LYS 59 Cb 0.38 0.03 -0.08 0.00 -0.52 0.00 0.00 37.83 37.64 3bpf s LYS 59 CO -0.13 -0.03 3.09 -1.71 -0.92 0.00 0.00 175.35 175.64 3bpf n ASN 60 N -0.26 5.87 -4.11 2.83 5.15 -1.26 -4.09 115.26 119.39 3bpf n ASN 60 Ca -0.02 -2.84 -0.32 0.00 -0.60 0.00 0.00 54.58 50.80 3bpf n ASN 60 Cb 0.60 -1.30 -0.16 0.00 -0.53 0.00 0.00 39.78 38.38 3bpf n ASN 60 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3bpf s LYS 61 N -0.44 2.76 -0.86 1.20 -0.14 -1.22 -5.04 119.74 115.99 3bpf s LYS 61 Ca 0.59 -0.75 -0.09 0.00 -1.36 0.00 0.00 55.97 54.36 3bpf s LYS 61 Cb 0.33 -2.33 0.22 0.00 -1.68 0.00 0.00 37.83 34.38 3bpf s LYS 61 CO -0.10 -0.12 0.78 -1.17 -0.76 0.00 0.00 175.35 173.99 3bpf s LEU 62 N 1.09 6.15 -0.08 3.17 2.96 -1.26 -3.32 118.68 127.39 3bpf s LEU 62 Ca -0.02 -3.11 0.01 0.00 -0.22 0.00 0.00 54.13 50.79 3bpf s LEU 62 Cb -0.14 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3bpf s LEU 62 CO -0.07 -0.40 -0.09 -0.51 -1.32 0.00 0.00 176.35 173.97 3bpf s ILE 63 N -0.48 3.53 -0.22 6.68 1.10 -1.26 -5.11 121.20 125.45 3bpf s ILE 63 Ca 0.22 -0.53 -0.02 0.00 -0.51 0.00 0.00 60.65 59.81 3bpf s ILE 63 Cb -0.12 -2.45 0.01 0.00 0.15 0.00 0.00 42.46 40.05 3bpf s ILE 63 CO -0.08 0.57 -0.08 0.42 -2.11 0.00 0.00 174.94 173.66 3bpf s THR 64 N -0.50 2.98 0.09 4.00 -4.23 -1.26 -4.84 115.64 111.89 3bpf s THR 64 Ca 0.07 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 3bpf s THR 64 Cb -0.12 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 3bpf s THR 64 CO 0.02 0.40 0.16 -0.76 -0.54 0.00 0.00 174.62 173.90 3bpf s LEU 65 N 1.41 4.08 -0.23 4.79 1.43 -1.26 -0.19 118.68 128.70 3bpf s LEU 65 Ca 0.04 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 3bpf s LEU 65 Cb -0.14 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 3bpf s LEU 65 CO -0.06 0.14 0.89 -0.94 0.23 0.00 0.00 176.35 176.62 3bpf s SER 66 N -2.65 6.93 0.11 2.29 1.04 0.48 -4.34 113.70 117.56 3bpf s SER 66 Ca 0.32 1.16 0.25 0.00 0.48 0.00 0.00 55.95 58.16 3bpf s SER 66 Cb -0.12 -2.47 0.52 0.00 0.10 0.00 0.00 66.02 64.05 3bpf s SER 66 CO 0.25 -0.54 1.46 -1.84 0.98 0.00 0.00 173.24 173.55 3bpf n GLU 67 N 5.98 0.22 0.52 4.02 0.00 -1.26 -3.48 120.64 126.63 3bpf n GLU 67 Ca 0.07 0.09 -0.21 0.00 0.00 0.00 0.00 57.16 57.11 3bpf n GLU 67 Cb 0.47 -1.66 -0.10 0.00 0.00 0.00 0.00 31.44 30.15 3bpf n GLU 67 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3bpf h GLN 68 N 0.00 -1.26 -0.74 3.44 5.75 -1.88 0.62 115.11 121.04 3bpf h GLN 68 Ca 0.00 0.09 0.17 0.00 -0.15 0.00 0.00 58.65 58.75 3bpf h GLN 68 Cb 0.68 0.29 -0.12 0.00 1.07 0.00 0.00 27.48 29.40 3bpf h GLN 68 CO 0.00 -0.84 0.13 1.49 -2.65 0.00 0.00 178.83 176.96 3bpf h GLU 69 N -1.31 0.21 -0.63 1.69 4.81 -1.82 1.39 114.58 118.92 3bpf h GLU 69 Ca -0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3bpf h GLU 69 Cb 1.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3bpf h GLU 69 CO 0.22 0.14 0.31 1.25 -0.73 0.00 0.00 179.01 180.19 3bpf h LEU 70 N 0.21 0.82 -0.69 1.64 5.85 -1.56 0.43 115.31 122.02 3bpf h LEU 70 Ca 0.42 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3bpf h LEU 70 Cb 0.73 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3bpf h LEU 70 CO -0.56 0.72 0.38 0.58 -0.34 0.00 0.00 178.44 179.22 3bpf h VAL 71 N 0.87 1.21 -0.04 1.05 2.07 0.51 0.51 116.25 122.44 3bpf h VAL 71 Ca 0.22 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3bpf h VAL 71 Cb 0.11 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3bpf h VAL 71 CO -0.03 0.23 0.01 0.44 0.02 0.00 0.00 177.57 178.24 3bpf h ASP 72 N 0.95 0.05 0.00 0.57 3.32 0.20 -3.37 116.42 118.14 3bpf h ASP 72 Ca 0.24 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3bpf h ASP 72 Cb 0.04 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3bpf h ASP 72 CO -0.04 0.29 -1.91 0.00 -1.72 0.00 0.00 179.24 175.85 3bpf s SER 74 N -4.31 5.40 0.00 0.00 0.15 0.16 -4.78 113.70 110.33 3bpf s SER 74 Ca -0.07 -0.17 0.28 0.00 0.70 0.00 0.00 55.95 56.69 3bpf s SER 74 Cb 0.12 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.97 3bpf s SER 74 CO 0.81 -2.38 1.77 0.49 1.20 0.00 0.00 173.24 175.12 3bpf n PHE 75 N 12.54 0.00 0.83 3.44 3.72 -1.26 -1.62 117.46 135.10 3bpf n PHE 75 Ca 0.25 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.79 3bpf n PHE 75 Cb 0.50 -0.10 0.52 0.00 -0.94 0.00 0.00 39.48 39.46 3bpf n PHE 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3bpf n LYS 76 N -0.54 0.12 -2.53 -1.08 5.02 -1.26 -4.90 118.16 112.99 3bpf n LYS 76 Ca 0.16 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.45 3bpf n LYS 76 Cb 0.31 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3bpf n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bpf n ASN 77 N -1.85 1.91 -0.95 4.39 3.02 -0.64 -4.91 115.26 116.23 3bpf n ASN 77 Ca 0.06 -1.71 0.05 0.00 -0.03 0.00 0.00 54.58 52.96 3bpf n ASN 77 Cb 0.38 0.03 0.13 0.00 -0.61 0.00 0.00 39.78 39.71 3bpf n ASN 77 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3bpf n TYR 78 N -0.79 0.00 -0.55 3.10 4.01 -0.98 -4.95 117.16 117.01 3bpf n TYR 78 Ca -0.03 -1.06 0.00 0.00 -0.16 0.00 0.00 57.90 56.65 3bpf n TYR 78 Cb 0.22 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3bpf n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bpf n GLY 79 N -0.45 2.83 0.13 2.72 0.00 -1.21 -0.91 105.19 108.30 3bpf n GLY 79 Ca 0.13 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3bpf n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bpf n ASN 81 N -2.16 3.64 0.00 0.00 3.02 -0.09 -2.17 115.26 117.50 3bpf n ASN 81 Ca -0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 3bpf n ASN 81 Cb 0.09 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 3bpf n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bpf n GLY 82 N -0.60 -2.37 0.00 7.41 0.00 -0.69 -4.81 105.19 104.14 3bpf n GLY 82 Ca 0.42 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3bpf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpf n GLY 83 N -0.03 -1.74 3.22 -0.02 0.00 -1.26 -2.31 105.19 103.04 3bpf n GLY 83 Ca 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3bpf n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpf s LEU 84 N 0.00 2.45 -0.02 0.99 1.43 -1.26 -4.79 118.68 117.49 3bpf s LEU 84 Ca 0.00 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 3bpf s LEU 84 Cb 0.00 -0.39 -0.20 0.00 0.03 0.00 0.00 46.19 45.63 3bpf s LEU 84 CO 0.00 -0.25 1.26 0.40 0.23 0.00 0.00 176.35 177.99 3bpf h ILE 85 N 3.25 1.40 0.83 -0.59 5.03 -1.99 -0.03 117.51 125.41 3bpf h ILE 85 Ca -0.38 -1.21 -0.04 0.00 -0.12 0.00 0.00 64.86 63.11 3bpf h ILE 85 Cb 1.19 2.17 0.01 0.00 -3.03 0.00 0.00 36.82 37.16 3bpf h ILE 85 CO 0.56 0.32 -0.40 -0.55 -0.68 0.00 0.00 178.15 177.41 3bpf h ASN 86 N -0.44 -0.94 -1.00 1.72 -1.07 -1.97 -1.57 115.58 110.31 3bpf h ASN 86 Ca 0.00 0.02 0.25 0.00 0.07 0.00 0.00 56.30 56.65 3bpf h ASN 86 Cb 0.54 0.24 -0.08 0.00 -2.07 0.00 0.00 38.32 36.95 3bpf h ASN 86 CO 0.01 -0.62 0.66 0.78 0.07 0.00 0.00 177.43 178.33 3bpf h ASN 87 N -1.21 0.36 0.39 6.14 4.21 -1.95 0.83 115.58 124.35 3bpf h ASN 87 Ca -0.11 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 3bpf h ASN 87 Cb 0.86 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.03 3bpf h ASN 87 CO 0.19 0.10 -0.40 0.00 -1.29 0.00 0.00 177.43 176.03 3bpf h ALA 88 N 1.59 -0.86 -0.38 -0.83 0.00 -0.60 -0.16 119.26 118.01 3bpf h ALA 88 Ca 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3bpf h ALA 88 Cb 1.48 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 3bpf h ALA 88 CO -0.21 -1.02 0.20 0.74 0.00 0.00 0.00 179.25 178.96 3bpf h PHE 89 N -0.81 0.54 -0.58 0.00 0.04 0.13 -1.82 116.94 114.44 3bpf h PHE 89 Ca -0.03 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.79 3bpf h PHE 89 Cb 0.72 -0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.61 3bpf h PHE 89 CO -0.22 0.43 -0.52 1.49 -0.60 0.00 0.00 178.31 178.89 3bpf h GLU 90 N 0.49 -0.26 0.00 1.51 4.57 0.38 0.23 114.58 121.50 3bpf h GLU 90 Ca 0.13 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3bpf h GLU 90 Cb 0.08 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3bpf h GLU 90 CO -0.02 -0.17 0.00 -0.44 -1.18 0.00 0.00 179.01 177.20 3bpf h ASP 91 N -0.27 0.00 -0.36 1.04 3.32 -0.63 -1.84 116.42 117.68 3bpf h ASP 91 Ca 0.13 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 3bpf h ASP 91 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3bpf h ASP 91 CO -0.70 0.00 -0.42 0.24 -1.72 0.00 0.00 179.24 176.65 3bpf h MET 92 N 0.00 0.92 0.45 3.56 2.86 0.26 -0.16 114.93 122.82 3bpf h MET 92 Ca 0.00 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 3bpf h MET 92 Cb 0.16 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3bpf h MET 92 CO 0.00 1.16 -0.30 0.82 1.06 0.00 0.00 176.91 179.65 3bpf h ILE 93 N 0.73 0.00 -0.34 -1.22 5.03 -0.46 -1.87 117.51 119.39 3bpf h ILE 93 Ca 0.05 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.84 3bpf h ILE 93 Cb 1.02 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.76 3bpf h ILE 93 CO 0.10 0.00 0.04 -0.33 -0.68 0.00 0.00 178.15 177.28 3bpf h GLU 94 N -0.71 0.14 0.00 2.37 4.39 -1.52 0.44 114.58 119.69 3bpf h GLU 94 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bpf h GLU 94 Cb 0.58 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3bpf h GLU 94 CO 0.04 0.09 0.00 -0.07 -1.16 0.00 0.00 179.01 177.92 3bpf h LEU 95 N 0.15 0.00 -2.51 1.33 3.38 -1.10 -3.46 115.31 113.09 3bpf h LEU 95 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3bpf h LEU 95 Cb 0.20 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.03 3bpf h LEU 95 CO -0.24 0.00 -0.34 0.61 0.09 0.00 0.00 178.44 178.56 3bpf n GLY 96 N -0.82 0.08 0.25 0.83 0.00 0.15 -4.82 105.19 100.86 3bpf n GLY 96 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bpf n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpf n GLY 97 N -1.29 -2.93 3.84 -0.02 0.00 -0.77 -4.83 105.19 99.19 3bpf n GLY 97 Ca -0.05 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3bpf n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bpf s ILE 98 N -0.39 4.53 0.96 -0.61 1.01 -0.31 -4.57 121.20 121.82 3bpf s ILE 98 Ca 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 60.65 61.73 3bpf s ILE 98 Cb 0.00 -3.68 0.17 0.00 0.01 0.00 0.00 42.46 38.96 3bpf s ILE 98 CO 0.00 -0.52 1.09 0.00 0.00 0.00 0.00 174.94 175.51 3bpf s PRO 100 N -4.96 4.74 0.34 0.00 0.04 -1.26 -0.39 135.00 133.51 3bpf s PRO 100 Ca 0.65 1.60 0.25 0.00 0.04 0.00 0.00 61.00 63.54 3bpf s PRO 100 Cb -0.18 -3.27 1.23 0.00 0.04 0.00 0.00 34.50 32.32 3bpf s PRO 100 CO 0.57 0.33 1.76 0.38 0.04 0.00 0.00 177.00 180.08 3bpf h ASP 101 N 4.42 0.00 -0.11 6.66 3.04 -0.77 -2.73 116.42 126.92 3bpf h ASP 101 Ca -0.45 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.37 3bpf h ASP 101 Cb 1.21 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3bpf h ASP 101 CO 0.69 0.00 0.10 1.23 -2.04 0.00 0.00 179.24 179.21 3bpf h GLY 102 N 0.85 0.00 -1.92 7.15 0.00 -1.93 -2.87 103.07 104.34 3bpf h GLY 102 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3bpf h GLY 102 CO 0.00 0.00 -0.74 2.09 0.00 0.00 0.00 176.54 177.89 3bpf n ASP 103 N -4.14 1.27 -2.73 0.19 3.85 -1.04 -4.82 116.55 109.14 3bpf n ASP 103 Ca -0.00 -2.79 -0.07 0.00 -0.71 0.00 0.00 54.79 51.22 3bpf n ASP 103 Cb 0.21 -0.39 0.07 0.00 -1.35 0.00 0.00 41.12 39.66 3bpf n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3bpf n TYR 104 N -0.26 -2.57 -2.46 2.11 -0.00 -1.10 -4.63 117.16 108.25 3bpf n TYR 104 Ca 0.11 -1.58 -0.33 0.00 -0.00 0.00 0.00 57.90 56.10 3bpf n TYR 104 Cb 0.91 1.47 -0.03 0.00 -0.00 0.00 0.00 39.34 41.70 3bpf n TYR 104 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3bpf s PRO 105 N 0.46 3.78 0.32 2.98 0.04 -1.15 -4.51 135.00 136.93 3bpf s PRO 105 Ca 0.28 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 3bpf s PRO 105 Cb 0.24 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 3bpf s PRO 105 CO -0.18 -0.43 1.34 -0.47 0.04 0.00 0.00 177.00 177.30 3bpf s TYR 106 N -2.18 3.00 -0.01 0.56 5.04 -1.26 -4.83 117.35 117.66 3bpf s TYR 106 Ca 0.65 1.33 0.23 0.00 -2.44 0.00 0.00 57.07 56.84 3bpf s TYR 106 Cb -0.14 -3.74 0.40 0.00 0.35 0.00 0.00 41.96 38.83 3bpf s TYR 106 CO 0.24 -2.09 1.16 1.33 -1.34 0.00 0.00 175.55 174.85 3bpf n VAL 107 N 0.99 0.14 0.00 3.14 0.24 -1.26 -5.08 118.33 116.50 3bpf n VAL 107 Ca 0.01 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 3bpf n VAL 107 Cb 0.41 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 3bpf n VAL 107 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3bpf n SER 108 N 0.36 0.00 -0.96 -1.34 3.41 -1.26 -0.26 113.62 113.56 3bpf n SER 108 Ca 0.06 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3bpf n SER 108 Cb 1.09 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.27 3bpf n SER 108 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bpf n ASP 109 N 4.80 2.80 -4.70 4.04 3.85 -1.23 -4.90 116.55 121.21 3bpf n ASP 109 Ca 0.00 -2.00 -0.42 0.00 -0.71 0.00 0.00 54.79 51.66 3bpf n ASP 109 Cb 0.00 -0.35 -0.03 0.00 -1.35 0.00 0.00 41.12 39.39 3bpf n ASP 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3bpf s ALA 110 N -1.31 3.77 0.32 2.12 0.00 0.64 -4.92 121.76 122.38 3bpf s ALA 110 Ca 0.35 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 3bpf s ALA 110 Cb 0.18 -3.74 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3bpf s ALA 110 CO 0.24 -1.15 1.55 -1.25 0.00 0.00 0.00 175.76 175.15 3bpf s PRO 111 N 2.48 4.13 -0.24 0.00 0.04 -1.26 -4.94 135.00 135.20 3bpf s PRO 111 Ca 0.79 2.56 -0.10 0.00 0.04 0.00 0.00 61.00 64.29 3bpf s PRO 111 Cb -0.45 -3.01 0.10 0.00 0.04 0.00 0.00 34.50 31.17 3bpf s PRO 111 CO 0.35 -0.59 0.55 1.21 0.04 0.00 0.00 177.00 178.55 3bpf s ASN 112 N 0.29 -0.73 0.06 6.66 2.47 -1.26 -5.15 114.94 117.29 3bpf s ASN 112 Ca 0.60 1.28 -0.27 0.00 0.42 0.00 0.00 52.86 54.89 3bpf s ASN 112 Cb -0.47 1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 40.88 3bpf s ASN 112 CO 0.52 -0.22 0.84 -0.76 -3.72 0.00 0.00 177.10 173.76 3bpf s LEU 113 N 2.36 4.46 0.26 3.21 1.43 -1.26 -4.85 118.68 124.29 3bpf s LEU 113 Ca -0.06 1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 3bpf s LEU 113 Cb -0.10 -3.37 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 3bpf s LEU 113 CO -0.16 -0.03 1.65 0.00 0.23 0.00 0.00 176.35 178.04 3bpf s ASN 115 N 0.76 -0.19 0.14 0.00 3.84 -1.26 -5.02 114.94 113.22 3bpf s ASN 115 Ca 0.68 -1.95 0.16 0.00 0.21 0.00 0.00 52.86 51.96 3bpf s ASN 115 Cb -0.49 1.03 0.72 0.00 -0.55 0.00 0.00 41.25 41.96 3bpf s ASN 115 CO 0.42 -0.14 1.50 2.30 -2.79 0.00 0.00 177.10 178.39 3bpf n ILE 116 N 3.34 1.12 0.90 -5.21 -5.35 -1.26 -2.21 119.36 110.69 3bpf n ILE 116 Ca 0.19 0.37 0.01 0.00 -0.27 0.00 0.00 62.75 63.05 3bpf n ILE 116 Cb 0.52 -1.26 0.07 0.00 -1.74 0.00 0.00 39.64 37.22 3bpf n ILE 116 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3bpf n ASP 117 N -1.87 1.54 -0.42 7.28 10.43 -1.26 -4.22 116.55 128.03 3bpf n ASP 117 Ca 0.02 -2.12 0.09 0.00 2.57 0.00 0.00 54.79 55.35 3bpf n ASP 117 Cb 0.14 -0.43 0.36 0.00 1.84 0.00 0.00 41.12 43.03 3bpf n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3bpf n ARG 118 N 0.05 1.55 -3.53 -1.24 0.63 -0.94 -4.80 116.66 108.38 3bpf n ARG 118 Ca 0.05 -0.83 -0.17 0.00 -0.92 0.00 0.00 57.85 55.98 3bpf n ARG 118 Cb 0.34 -1.33 -0.06 0.00 0.45 0.00 0.00 32.46 31.86 3bpf n ARG 118 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bpf h THR 120 N 3.01 0.00 -3.15 0.00 2.02 -1.93 -3.45 112.91 109.41 3bpf h THR 120 Ca -0.26 -0.96 -0.62 0.00 0.77 0.00 0.00 66.41 65.34 3bpf h THR 120 Cb 1.14 1.51 -0.35 0.00 -1.74 0.00 0.00 68.15 68.72 3bpf h THR 120 CO 0.37 0.00 -0.84 -0.70 0.37 0.00 0.00 175.52 174.71 3bpf s GLU 121 N -3.33 2.49 0.13 6.66 2.56 -1.26 -5.13 118.70 120.83 3bpf s GLU 121 Ca 0.01 -0.64 0.10 0.00 0.00 0.00 0.00 54.97 54.44 3bpf s GLU 121 Cb 0.09 -2.18 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 3bpf s GLU 121 CO 0.77 -0.16 -0.25 0.15 -0.56 0.00 0.00 175.26 175.21 3bpf s LYS 122 N 1.25 1.34 -0.05 4.30 1.02 -1.26 -4.49 119.74 121.85 3bpf s LYS 122 Ca 0.01 -1.33 0.06 0.00 0.02 0.00 0.00 55.97 54.73 3bpf s LYS 122 Cb -0.14 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 3bpf s LYS 122 CO -0.08 0.40 -0.24 0.71 -0.92 0.00 0.00 175.35 175.22 3bpf s TYR 123 N -1.22 2.34 0.35 3.18 1.51 -0.96 -4.94 117.35 117.60 3bpf s TYR 123 Ca 0.13 -0.65 0.06 0.00 -1.01 0.00 0.00 57.07 55.61 3bpf s TYR 123 Cb -0.09 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 3bpf s TYR 123 CO 0.06 -0.18 0.22 0.41 -1.11 0.00 0.00 175.55 174.95 3bpf n GLY 124 N 2.87 3.09 3.04 0.71 0.00 -1.26 -1.16 105.19 112.48 3bpf n GLY 124 Ca -0.17 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 3bpf n GLY 124 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bpf n ILE 125 N -0.71 0.00 0.00 -0.61 -5.35 -1.26 -4.84 119.36 106.58 3bpf n ILE 125 Ca 0.02 -1.79 0.00 0.00 -0.27 0.00 0.00 62.75 60.71 3bpf n ILE 125 Cb 0.58 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3bpf n ILE 125 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3bpf n LYS 126 N -1.45 0.00 0.00 6.28 4.81 -0.16 -4.90 118.16 122.75 3bpf n LYS 126 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3bpf n LYS 126 Cb 0.51 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.71 3bpf n LYS 126 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3bpf n ASN 127 N -2.53 0.00 -3.59 3.14 2.85 -1.22 -5.03 115.26 108.88 3bpf n ASN 127 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 3bpf n ASN 127 Cb 0.45 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.42 3bpf n ASN 127 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 3bpf s TYR 128 N -1.18 -0.44 -0.15 1.20 1.13 -1.26 -2.78 117.35 113.86 3bpf s TYR 128 Ca 0.00 0.88 -0.09 0.00 -1.41 0.00 0.00 57.07 56.45 3bpf s TYR 128 Cb 0.00 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 3bpf s TYR 128 CO 0.00 -0.34 0.15 -0.48 -2.51 0.00 0.00 175.55 172.37 3bpf s LEU 129 N -0.67 4.32 -0.48 -3.49 2.34 -0.53 -4.62 118.68 115.56 3bpf s LEU 129 Ca -0.01 0.39 -0.21 0.00 0.06 0.00 0.00 54.13 54.36 3bpf s LEU 129 Cb -0.02 -2.10 0.04 0.00 -0.56 0.00 0.00 46.19 43.55 3bpf s LEU 129 CO 0.00 0.31 0.69 -0.55 -1.06 0.00 0.00 176.35 175.74 3bpf s SER 130 N -0.46 6.30 0.17 1.48 0.15 -1.26 -1.57 113.70 118.51 3bpf s SER 130 Ca 0.13 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.98 3bpf s SER 130 Cb -0.12 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.79 3bpf s SER 130 CO 0.02 -0.89 1.15 -0.69 1.20 0.00 0.00 173.24 174.03 3bpf s VAL 131 N 2.96 3.76 0.68 4.45 1.01 -1.10 -4.81 120.40 127.34 3bpf s VAL 131 Ca 0.22 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 3bpf s VAL 131 Cb -0.15 -3.94 0.16 0.00 0.00 0.00 0.00 36.38 32.44 3bpf s VAL 131 CO 0.17 0.23 0.93 -0.81 0.00 0.00 0.00 175.10 175.62 3bpf n PRO 132 N 2.59 -0.88 -1.45 2.72 -0.04 -1.26 -4.42 135.00 132.27 3bpf n PRO 132 Ca 0.04 -1.46 -0.28 0.00 -0.04 0.00 0.00 63.50 61.76 3bpf n PRO 132 Cb 0.46 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 32.90 3bpf n PRO 132 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3bpf n ASP 133 N -3.58 6.91 0.14 3.54 9.92 -1.26 -3.97 116.55 128.26 3bpf n ASP 133 Ca 0.12 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 3bpf n ASP 133 Cb 0.41 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 3bpf n ASP 133 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3bpf n ASN 134 N 1.97 -2.58 -0.61 -2.24 0.23 -1.26 -4.94 115.26 105.82 3bpf n ASN 134 Ca 0.56 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 55.19 3bpf n ASN 134 Cb 0.52 2.57 0.00 0.00 -2.08 0.00 0.00 39.78 40.80 3bpf n ASN 134 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3bpf n LYS 135 N -3.09 0.79 -0.13 -3.83 5.02 -1.25 -4.14 118.16 111.52 3bpf n LYS 135 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3bpf n LYS 135 Cb 0.00 -1.33 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3bpf n LYS 135 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3bpf h LEU 136 N 0.44 -0.20 0.56 -0.35 3.38 -1.94 1.22 115.31 118.43 3bpf h LEU 136 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3bpf h LEU 136 Cb 0.48 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3bpf h LEU 136 CO 0.00 -0.06 -0.32 0.50 0.09 0.00 0.00 178.44 178.65 3bpf h LYS 137 N 0.10 -0.79 -0.39 1.13 3.64 -1.79 0.80 116.57 119.27 3bpf h LYS 137 Ca 0.22 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.73 3bpf h LYS 137 Cb 0.32 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 3bpf h LYS 137 CO -0.37 -0.53 -0.23 1.49 -2.27 0.00 0.00 179.45 177.55 3bpf h GLU 138 N -0.82 -0.15 -0.06 1.90 4.81 -1.69 0.60 114.58 119.16 3bpf h GLU 138 Ca -0.07 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3bpf h GLU 138 Cb 0.65 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3bpf h GLU 138 CO 0.09 -0.10 -0.10 0.00 -0.73 0.00 0.00 179.01 178.17 3bpf h ALA 139 N 1.05 -0.06 -0.74 2.92 0.00 0.16 -1.50 119.26 121.10 3bpf h ALA 139 Ca 0.19 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3bpf h ALA 139 Cb 0.46 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3bpf h ALA 139 CO -0.49 -0.57 0.41 1.25 0.00 0.00 0.00 179.25 179.85 3bpf h LEU 140 N -0.14 0.61 0.36 0.00 5.85 0.19 0.44 115.31 122.62 3bpf h LEU 140 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3bpf h LEU 140 Cb 0.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3bpf h LEU 140 CO -0.15 0.38 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.06 3bpf h ARG 141 N 0.74 -0.47 0.05 1.25 2.43 -0.77 -3.29 114.38 114.32 3bpf h ARG 141 Ca 0.34 0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.34 3bpf h ARG 141 Cb 0.25 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3bpf h ARG 141 CO -0.21 -0.31 -1.07 0.74 -1.51 0.00 0.00 179.97 177.61 3bpf h PHE 142 N -0.91 0.20 -0.09 2.20 0.04 -1.17 -3.38 116.94 113.82 3bpf h PHE 142 Ca -0.05 -0.14 -0.24 0.00 2.80 0.00 0.00 57.97 60.34 3bpf h PHE 142 Cb 0.38 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3bpf h PHE 142 CO 0.02 1.42 -0.89 1.25 -0.60 0.00 0.00 178.31 179.52 3bpf h LEU 143 N -0.69 0.90 0.00 1.54 5.85 -0.37 -3.51 115.31 119.04 3bpf h LEU 143 Ca -0.26 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 57.82 3bpf h LEU 143 Cb 1.45 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3bpf h LEU 143 CO -0.05 1.44 0.00 0.61 -0.34 0.00 0.00 178.44 180.11 3bpf n GLY 144 N 0.85 0.78 3.69 3.75 0.00 0.14 -5.01 105.19 109.39 3bpf n GLY 144 Ca -0.09 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 3bpf n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bpf s PRO 145 N -0.87 4.23 -0.15 1.61 0.04 -1.26 -3.91 135.00 134.69 3bpf s PRO 145 Ca 0.00 2.17 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 3bpf s PRO 145 Cb 0.00 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 3bpf s PRO 145 CO 0.00 -0.68 0.48 0.42 0.04 0.00 0.00 177.00 177.26 3bpf s ILE 146 N 2.65 5.17 0.03 0.56 1.01 -1.08 -4.81 121.20 124.72 3bpf s ILE 146 Ca 0.70 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 3bpf s ILE 146 Cb -0.36 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 3bpf s ILE 146 CO 0.30 0.28 1.57 -0.44 0.00 0.00 0.00 174.94 176.65 3bpf s SER 147 N 0.79 6.69 0.20 3.58 0.01 -0.87 -1.76 113.70 122.34 3bpf s SER 147 Ca 0.25 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.86 3bpf s SER 147 Cb -0.15 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 3bpf s SER 147 CO 0.10 -0.84 -0.02 0.27 0.41 0.00 0.00 173.24 173.15 3bpf s ILE 148 N 2.80 0.99 -0.17 1.44 -4.36 0.47 -1.53 121.20 120.84 3bpf s ILE 148 Ca 0.70 -2.03 -0.06 0.00 -0.26 0.00 0.00 60.65 59.01 3bpf s ILE 148 Cb -0.36 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3bpf s ILE 148 CO 0.30 -0.45 0.03 -0.94 0.24 0.00 0.00 174.94 174.12 3bpf s SER 149 N -3.25 5.34 0.08 4.36 1.04 -0.75 -0.84 113.70 119.69 3bpf s SER 149 Ca 0.25 0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.77 3bpf s SER 149 Cb 0.05 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 3bpf s SER 149 CO 0.06 0.19 -0.18 0.54 0.98 0.00 0.00 173.24 174.83 3bpf s VAL 150 N 0.26 1.42 -1.19 5.02 0.11 -0.20 -1.15 120.40 124.67 3bpf s VAL 150 Ca 0.01 -1.40 -0.04 0.00 -2.93 0.00 0.00 61.98 57.63 3bpf s VAL 150 Cb -0.13 -1.31 0.17 0.00 -1.53 0.00 0.00 36.38 33.58 3bpf s VAL 150 CO 0.01 -0.12 2.25 0.00 -3.33 0.00 0.00 175.10 173.92 3bpf n ALA 151 N 1.24 6.59 -1.64 1.54 0.00 -1.21 -1.54 120.51 125.50 3bpf n ALA 151 Ca -0.20 -4.17 -0.55 0.00 0.00 0.00 0.00 53.44 48.52 3bpf n ALA 151 Cb 0.54 -2.57 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 3bpf n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3bpf n VAL 152 N 1.15 0.12 -4.22 0.00 0.31 -1.26 0.28 118.33 114.71 3bpf n VAL 152 Ca 0.58 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 64.61 3bpf n VAL 152 Cb 0.27 -0.94 -0.17 0.00 -0.91 0.00 0.00 33.84 32.09 3bpf n VAL 152 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bpf s SER 153 N 1.75 2.23 0.00 4.52 0.15 -1.26 -4.47 113.70 116.62 3bpf s SER 153 Ca 0.91 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3bpf s SER 153 Cb -1.03 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 3bpf s SER 153 CO 0.56 -0.04 0.00 -0.90 1.20 0.00 0.00 173.24 174.06 3bpf n ASP 154 N 4.47 0.00 0.09 5.45 5.75 -1.26 -0.24 116.55 130.81 3bpf n ASP 154 Ca -0.17 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.76 3bpf n ASP 154 Cb 0.51 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 41.25 3bpf n ASP 154 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3bpf h ASP 155 N 0.00 0.03 -0.22 -1.12 3.04 -1.97 0.20 116.42 116.38 3bpf h ASP 155 Ca 0.00 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.81 3bpf h ASP 155 Cb 0.00 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.27 3bpf h ASP 155 CO 0.00 0.02 0.15 0.15 -2.04 0.00 0.00 179.24 177.52 3bpf h PHE 156 N 0.03 0.20 -0.01 4.15 3.57 -0.95 0.62 116.94 124.54 3bpf h PHE 156 Ca 0.16 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3bpf h PHE 156 Cb 0.60 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3bpf h PHE 156 CO -0.00 0.12 -0.70 0.00 -2.23 0.00 0.00 178.31 175.50 3bpf h ALA 157 N 1.87 0.81 0.15 2.41 0.00 -0.80 -3.31 119.26 120.40 3bpf h ALA 157 Ca 0.09 -0.63 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 3bpf h ALA 157 Cb 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3bpf h ALA 157 CO -0.02 0.85 -1.21 0.74 0.00 0.00 0.00 179.25 179.62 3bpf h PHE 158 N 0.04 0.92 -0.04 0.00 0.04 -0.64 -3.47 116.94 113.79 3bpf h PHE 158 Ca -0.01 -0.61 -0.06 0.00 2.80 0.00 0.00 57.97 60.09 3bpf h PHE 158 Cb 1.24 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 3bpf h PHE 158 CO 0.01 1.46 0.07 0.98 -0.60 0.00 0.00 178.31 180.22 3bpf n TYR 159 N -3.85 0.11 -0.11 -0.55 9.36 0.19 -4.85 117.16 117.45 3bpf n TYR 159 Ca -0.14 0.07 -0.14 0.00 3.32 0.00 0.00 57.90 61.00 3bpf n TYR 159 Cb 0.97 -0.16 -0.13 0.00 -0.63 0.00 0.00 39.34 39.39 3bpf n TYR 159 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3bpf n LYS 160 N 0.39 0.70 -3.67 2.98 5.02 -1.26 -3.53 118.16 118.79 3bpf n LYS 160 Ca 0.03 0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 3bpf n LYS 160 Cb -0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 3bpf n LYS 160 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3bpf s GLU 161 N -2.48 0.72 1.44 1.97 -1.05 -1.26 -3.83 118.70 114.21 3bpf s GLU 161 Ca -0.25 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 3bpf s GLU 161 Cb 0.08 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3bpf s GLU 161 CO 0.65 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.94 3bpf n GLY 162 N -0.48 -0.65 3.81 -3.83 0.00 -1.26 -4.91 105.19 97.87 3bpf n GLY 162 Ca -0.07 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 3bpf n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bpf s ILE 163 N 0.00 5.02 0.35 -0.61 1.01 -1.26 -3.93 121.20 121.78 3bpf s ILE 163 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 3bpf s ILE 163 Cb 0.00 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 3bpf s ILE 163 CO 0.00 0.53 0.72 0.12 0.00 0.00 0.00 174.94 176.31 3bpf s PHE 164 N -0.75 3.44 0.00 3.97 2.19 0.19 -4.95 117.98 122.06 3bpf s PHE 164 Ca 0.25 1.03 0.00 0.00 0.33 0.00 0.00 56.93 58.54 3bpf s PHE 164 Cb -0.17 -2.41 0.00 0.00 -1.31 0.00 0.00 43.02 39.13 3bpf s PHE 164 CO 0.13 0.01 0.00 -3.47 1.83 0.00 0.00 175.22 173.73 3bpf n ASP 165 N -0.90 0.00 -3.65 6.13 2.03 -1.26 -3.81 116.55 115.08 3bpf n ASP 165 Ca 0.02 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 3bpf n ASP 165 Cb 0.54 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.21 3bpf n ASP 165 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3bpf s GLY 166 N -0.57 1.45 0.67 0.27 0.00 -1.26 -4.95 107.32 102.94 3bpf s GLY 166 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 3bpf s GLY 166 CO 0.00 0.22 1.14 1.18 0.00 0.00 0.00 173.10 175.64 3bpf n GLU 167 N -5.42 0.83 -3.84 2.90 1.02 -1.26 -5.02 120.64 109.85 3bpf n GLU 167 Ca 0.11 0.34 -0.21 0.00 -0.02 0.00 0.00 57.16 57.38 3bpf n GLU 167 Cb 0.59 -2.37 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 3bpf n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bpf s GLY 169 N -4.02 2.53 0.38 0.00 0.00 0.14 -4.86 107.32 101.50 3bpf s GLY 169 Ca 0.37 0.79 0.07 0.00 0.00 0.00 0.00 44.72 45.95 3bpf s GLY 169 CO 0.29 1.15 1.97 -0.55 0.00 0.00 0.00 173.10 175.96 3bpf h ASP 170 N 0.83 0.42 -3.25 1.64 3.45 -1.92 -3.44 116.42 114.16 3bpf h ASP 170 Ca -0.49 -0.05 -0.50 0.00 0.43 0.00 0.00 57.03 56.42 3bpf h ASP 170 Cb 1.26 -0.11 -0.16 0.00 -0.56 0.00 0.00 39.33 39.77 3bpf h ASP 170 CO 0.56 0.42 -0.76 -1.10 -1.57 0.00 0.00 179.24 176.78 3bpf s GLN 171 N -5.17 1.35 0.11 3.56 -0.21 -1.26 -5.12 119.66 112.92 3bpf s GLN 171 Ca -0.07 -1.52 -0.31 0.00 0.02 0.00 0.00 55.36 53.47 3bpf s GLN 171 Cb 0.16 -1.30 -0.08 0.00 1.00 0.00 0.00 33.01 32.80 3bpf s GLN 171 CO 0.74 0.24 1.37 -0.51 -2.12 0.00 0.00 175.29 175.01 3bpf s LEU 172 N -3.03 4.37 0.00 2.90 1.43 -1.26 -4.50 118.68 118.59 3bpf s LEU 172 Ca 0.20 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 3bpf s LEU 172 Cb -0.04 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3bpf s LEU 172 CO 0.08 -0.63 0.69 -0.46 0.23 0.00 0.00 176.35 176.26 3bpf n ASN 173 N 3.95 0.00 -3.66 2.29 0.23 -0.95 -4.95 115.26 112.18 3bpf n ASN 173 Ca 0.11 -1.42 -0.15 0.00 -0.53 0.00 0.00 54.58 52.59 3bpf n ASN 173 Cb 0.43 -0.08 -0.08 0.00 -2.08 0.00 0.00 39.78 37.96 3bpf n ASN 173 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3bpf s HIS 174 N 0.00 -0.48 -0.57 -2.53 2.46 -0.59 -4.86 115.29 108.72 3bpf s HIS 174 Ca 0.00 0.95 -0.14 0.00 0.47 0.00 0.00 55.06 56.35 3bpf s HIS 174 Cb 0.00 0.24 0.14 0.00 -0.13 0.00 0.00 32.58 32.83 3bpf s HIS 174 CO 0.00 -0.43 0.50 0.00 -2.47 0.00 0.00 174.74 172.35 3bpf s ALA 175 N -0.73 3.66 0.51 1.58 0.00 -1.26 -1.03 121.76 124.48 3bpf s ALA 175 Ca -0.08 -2.69 0.09 0.00 0.00 0.00 0.00 51.96 49.27 3bpf s ALA 175 Cb -0.03 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.96 3bpf s ALA 175 CO 0.05 -2.04 0.66 0.14 0.00 0.00 0.00 175.76 174.58 3bpf s VAL 176 N 1.25 2.44 -0.34 0.00 -7.23 -0.02 -4.50 120.40 112.00 3bpf s VAL 176 Ca 0.07 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3bpf s VAL 176 Cb -0.25 -2.50 0.13 0.00 0.56 0.00 0.00 36.38 34.31 3bpf s VAL 176 CO -0.00 0.00 0.19 -0.32 -0.31 0.00 0.00 175.10 174.66 3bpf s MET 177 N -4.50 0.52 -0.06 4.82 1.75 -1.16 -0.40 119.30 120.26 3bpf s MET 177 Ca 0.57 -1.16 -0.29 0.00 -1.25 0.00 0.00 55.69 53.56 3bpf s MET 177 Cb -0.07 -1.37 -0.07 0.00 2.84 0.00 0.00 34.83 36.16 3bpf s MET 177 CO 0.35 -1.15 2.01 -1.17 -0.65 0.00 0.00 175.02 174.41 3bpf s LEU 178 N 1.31 4.09 0.00 4.11 2.96 -0.72 -0.92 118.68 129.51 3bpf s LEU 178 Ca 0.15 2.34 0.12 0.00 -0.22 0.00 0.00 54.13 56.52 3bpf s LEU 178 Cb -0.21 -3.52 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 3bpf s LEU 178 CO -0.10 -1.34 0.54 1.33 -1.32 0.00 0.00 176.35 175.45 3bpf n VAL 179 N 6.29 0.00 -3.08 1.68 0.24 0.06 -2.65 118.33 120.87 3bpf n VAL 179 Ca 0.23 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3bpf n VAL 179 Cb 0.43 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3bpf n VAL 179 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bpf n GLY 180 N 1.22 -1.12 3.64 7.63 0.00 0.09 -0.97 105.19 115.68 3bpf n GLY 180 Ca 0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 3bpf n GLY 180 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bpf s PHE 181 N -3.00 -0.08 0.00 1.61 -0.71 0.31 0.17 117.98 116.29 3bpf s PHE 181 Ca 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 3bpf s PHE 181 Cb 0.00 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 3bpf s PHE 181 CO 0.00 -0.38 0.00 2.48 -1.34 0.00 0.00 175.22 175.98 3bpf n TYR 199 N -0.43 0.00 -2.83 3.49 0.18 -1.25 -4.61 117.16 111.70 3bpf n TYR 199 Ca -0.07 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.35 3bpf n TYR 199 Cb 0.62 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.51 3bpf n TYR 199 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3bpf s TYR 200 N 0.00 3.61 -0.31 -3.48 2.02 0.58 -4.84 117.35 114.93 3bpf s TYR 200 Ca 0.00 1.69 -0.03 0.00 -0.37 0.00 0.00 57.07 58.36 3bpf s TYR 200 Cb 0.00 -2.86 0.05 0.00 -0.40 0.00 0.00 41.96 38.74 3bpf s TYR 200 CO 0.00 0.16 0.04 0.42 -1.57 0.00 0.00 175.55 174.60 3bpf s ILE 201 N -1.72 3.26 -0.03 2.71 1.01 0.13 -0.90 121.20 125.66 3bpf s ILE 201 Ca 0.52 -1.31 0.06 0.00 0.00 0.00 0.00 60.65 59.92 3bpf s ILE 201 Cb -0.16 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3bpf s ILE 201 CO 0.21 -0.14 -0.21 0.27 0.00 0.00 0.00 174.94 175.07 3bpf s ILE 202 N 1.30 1.71 0.73 2.92 -4.36 -0.82 -0.73 121.20 121.94 3bpf s ILE 202 Ca -0.04 -0.90 -0.11 0.00 -0.26 0.00 0.00 60.65 59.34 3bpf s ILE 202 Cb -0.20 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 42.10 3bpf s ILE 202 CO 0.00 0.48 1.08 -0.75 0.24 0.00 0.00 174.94 175.99 3bpf s LYS 203 N -0.28 2.70 0.17 0.37 2.20 -0.10 -2.19 119.74 122.61 3bpf s LYS 203 Ca 0.02 0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 3bpf s LYS 203 Cb -0.10 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 3bpf s LYS 203 CO 0.01 -1.20 0.10 1.21 -0.36 0.00 0.00 175.35 175.12 3bpf s ASN 204 N -4.05 0.21 -0.09 1.43 3.84 -1.14 -3.01 114.94 112.14 3bpf s ASN 204 Ca 0.59 -1.30 0.19 0.00 0.21 0.00 0.00 52.86 52.55 3bpf s ASN 204 Cb -0.13 0.35 0.69 0.00 -0.55 0.00 0.00 41.25 41.61 3bpf s ASN 204 CO 0.54 -0.80 1.60 -1.54 -2.79 0.00 0.00 177.10 174.11 3bpf n SER 205 N -0.19 4.55 -4.01 -4.21 3.41 -1.26 -4.51 113.62 107.39 3bpf n SER 205 Ca -0.01 -2.37 -0.43 0.00 -0.26 0.00 0.00 58.87 55.80 3bpf n SER 205 Cb 0.65 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3bpf n SER 205 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3bpf n TRP 206 N 1.16 2.49 0.00 7.33 8.01 -1.21 0.21 117.44 135.42 3bpf n TRP 206 Ca 0.25 -2.67 0.00 0.00 -1.31 0.00 0.00 57.50 53.77 3bpf n TRP 206 Cb 0.83 -1.35 0.00 0.00 -2.01 0.00 0.00 31.31 28.78 3bpf n TRP 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bpf n GLY 207 N 1.54 1.67 0.00 6.99 0.00 -0.74 -3.94 105.19 110.71 3bpf n GLY 207 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3bpf n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpf n GLN 208 N 0.00 0.00 -1.18 1.61 10.64 -1.26 -4.56 117.38 122.63 3bpf n GLN 208 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 3bpf n GLN 208 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 3bpf n GLN 208 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3bpf n GLN 209 N -0.67 2.37 -3.81 2.61 1.13 -1.25 -3.12 117.38 114.65 3bpf n GLN 209 Ca 0.00 -2.67 -0.13 0.00 -1.94 0.00 0.00 57.00 52.26 3bpf n GLN 209 Cb 0.00 -2.05 -0.12 0.00 0.11 0.00 0.00 30.24 28.18 3bpf n GLN 209 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3bpf s TRP 210 N -3.11 -0.20 0.00 1.08 -0.00 -1.26 -4.99 118.94 110.46 3bpf s TRP 210 Ca 0.53 0.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.13 3bpf s TRP 210 Cb 0.41 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.95 3bpf s TRP 210 CO -0.01 -0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.25 3bpf n GLY 211 N 3.02 0.77 3.56 5.86 0.00 -1.23 0.60 105.19 117.77 3bpf n GLY 211 Ca -0.13 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3bpf n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bpf s GLU 212 N 0.00 2.18 -0.56 1.61 2.12 -0.28 -3.63 118.70 120.13 3bpf s GLU 212 Ca 0.00 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3bpf s GLU 212 Cb 0.00 -4.77 0.00 0.00 0.26 0.00 0.00 34.13 29.62 3bpf s GLU 212 CO 0.00 -3.60 0.00 -2.13 -0.54 0.00 0.00 175.26 168.99 3bpf n ARG 213 N 8.93 -2.18 -0.17 4.30 0.63 -1.25 -0.04 116.66 126.88 3bpf n ARG 213 Ca 0.38 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 3bpf n ARG 213 Cb 0.48 -4.74 0.00 0.00 0.45 0.00 0.00 32.46 28.65 3bpf n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bpf n GLY 214 N -0.49 1.61 2.98 5.14 0.00 0.20 -4.54 105.19 110.09 3bpf n GLY 214 Ca -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3bpf n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bpf s PHE 215 N -2.00 0.31 0.16 1.61 0.40 0.94 -2.87 117.98 116.52 3bpf s PHE 215 Ca 0.00 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 3bpf s PHE 215 Cb 0.00 -0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.28 3bpf s PHE 215 CO 0.00 -0.14 -0.10 -1.50 0.70 0.00 0.00 175.22 174.19 3bpf s ILE 216 N -1.20 3.24 -0.12 0.64 -1.16 -0.93 -1.12 121.20 120.55 3bpf s ILE 216 Ca -0.12 -1.53 0.03 0.00 -0.51 0.00 0.00 60.65 58.52 3bpf s ILE 216 Cb -0.08 -2.58 0.00 0.00 0.61 0.00 0.00 42.46 40.41 3bpf s ILE 216 CO -0.01 -0.04 -0.23 0.20 -2.81 0.00 0.00 174.94 172.06 3bpf s ASN 217 N -2.63 3.08 0.03 4.50 0.01 -1.25 -1.95 114.94 116.72 3bpf s ASN 217 Ca 0.24 -0.57 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 3bpf s ASN 217 Cb -0.10 -1.42 -0.02 0.00 0.41 0.00 0.00 41.25 40.13 3bpf s ASN 217 CO 0.15 0.13 -0.15 -0.51 -1.51 0.00 0.00 177.10 175.21 3bpf s ILE 218 N 0.54 1.16 -0.32 0.60 2.07 -0.07 0.53 121.20 125.70 3bpf s ILE 218 Ca -0.14 -0.91 -0.21 0.00 -1.41 0.00 0.00 60.65 57.97 3bpf s ILE 218 Cb -0.17 -1.03 -0.00 0.00 0.13 0.00 0.00 42.46 41.39 3bpf s ILE 218 CO 0.04 0.10 0.69 -0.70 -1.91 0.00 0.00 174.94 173.17 3bpf s GLU 219 N -0.93 3.85 0.25 3.50 2.12 -1.25 0.21 118.70 126.46 3bpf s GLU 219 Ca 0.03 0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.70 3bpf s GLU 219 Cb -0.07 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3bpf s GLU 219 CO 0.01 -0.67 0.04 -0.08 -0.54 0.00 0.00 175.26 174.03 3bpf s THR 220 N 2.77 0.88 0.08 -1.70 -1.32 -1.26 -4.80 115.64 110.29 3bpf s THR 220 Ca 0.27 -2.01 -0.01 0.00 -1.21 0.00 0.00 61.69 58.73 3bpf s THR 220 Cb -0.14 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.35 3bpf s THR 220 CO 0.13 -0.16 0.08 -0.90 -2.21 0.00 0.00 174.62 171.56 3bpf n ASP 221 N -0.48 -0.73 0.10 8.08 5.68 -1.26 -3.86 116.55 124.08 3bpf n ASP 221 Ca -0.03 -0.70 -0.12 0.00 -0.50 0.00 0.00 54.79 53.44 3bpf n ASP 221 Cb 0.65 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 3bpf n ASP 221 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3bpf h GLU 222 N 0.00 -0.46 0.05 0.11 4.39 -2.01 -3.22 114.58 113.44 3bpf h GLU 222 Ca -0.03 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bpf h GLU 222 Cb 0.08 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3bpf h GLU 222 CO 0.02 -0.31 -0.02 0.77 -1.16 0.00 0.00 179.01 178.31 3bpf h SER 223 N -0.48 -0.05 0.00 1.42 0.02 -1.99 -3.43 113.55 109.04 3bpf h SER 223 Ca 0.04 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3bpf h SER 223 Cb 0.52 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3bpf h SER 223 CO -0.19 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 3bpf n GLY 224 N 1.52 -0.06 0.49 -3.77 0.00 -1.22 -4.48 105.19 97.67 3bpf n GLY 224 Ca -0.04 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.30 3bpf n GLY 224 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bpf h LEU 225 N 0.00 0.17 -8.81 0.99 3.38 -1.89 -3.35 115.31 105.80 3bpf h LEU 225 Ca 0.00 0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.44 3bpf h LEU 225 Cb 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3bpf h LEU 225 CO 0.00 0.02 1.01 -0.32 0.09 0.00 0.00 178.44 179.24 3bpf s MET 226 N -5.15 3.69 -0.14 1.13 1.75 -1.26 -4.97 119.30 114.35 3bpf s MET 226 Ca -0.06 0.91 -0.07 0.00 -1.25 0.00 0.00 55.69 55.22 3bpf s MET 226 Cb 0.24 -3.96 -0.04 0.00 2.84 0.00 0.00 34.83 33.91 3bpf s MET 226 CO 0.80 -1.42 0.11 1.03 -0.65 0.00 0.00 175.02 174.90 3bpf s ARG 227 N 4.64 3.60 -0.26 4.11 0.52 -1.26 -4.60 118.95 125.69 3bpf s ARG 227 Ca 0.57 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 55.40 3bpf s ARG 227 Cb -0.13 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 3bpf s ARG 227 CO 0.30 0.62 0.48 0.21 0.02 0.00 0.00 175.30 176.93 3bpf s LYS 228 N -0.58 4.06 0.00 3.54 2.47 -1.26 -4.00 119.74 123.97 3bpf s LYS 228 Ca 0.12 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 3bpf s LYS 228 Cb -0.12 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 3bpf s LYS 228 CO 0.02 -0.33 0.00 0.00 0.16 0.00 0.00 175.35 175.20 3bpf n GLY 230 N -2.33 0.45 3.54 0.00 0.00 -1.26 -3.33 105.19 102.27 3bpf n GLY 230 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 3bpf n GLY 230 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bpf n LEU 231 N 0.00 1.14 0.00 0.99 7.94 -1.03 0.70 117.00 126.74 3bpf n LEU 231 Ca 0.00 -1.42 0.00 0.00 -1.11 0.00 0.00 56.01 53.48 3bpf n LEU 231 Cb 0.16 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.64 3bpf n LEU 231 CO 0.00 -2.52 0.00 0.61 -1.11 0.00 0.00 177.39 174.37 3bpf n GLY 232 N 6.49 0.98 0.34 -3.96 0.00 -0.30 -4.78 105.19 103.95 3bpf n GLY 232 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.59 3bpf n GLY 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bpf n THR 233 N -0.30 -0.40 -3.78 2.61 -1.04 0.22 -3.22 114.28 108.37 3bpf n THR 233 Ca 0.00 2.15 -0.35 0.00 -2.04 0.00 0.00 64.05 63.81 3bpf n THR 233 Cb 0.00 -3.02 -0.08 0.00 -1.82 0.00 0.00 70.33 65.42 3bpf n THR 233 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3bpf s ASP 234 N -5.18 6.18 -0.10 8.00 1.01 -1.26 -4.91 116.67 120.41 3bpf s ASP 234 Ca -0.14 0.25 -0.08 0.00 0.71 0.00 0.00 52.55 53.29 3bpf s ASP 234 Cb 0.26 -2.07 0.03 0.00 1.01 0.00 0.00 42.92 42.15 3bpf s ASP 234 CO 0.74 0.21 0.25 0.00 0.21 0.00 0.00 175.17 176.58 3bpf s ALA 235 N 0.17 -0.62 -0.13 5.23 0.00 -1.20 -1.81 121.76 123.41 3bpf s ALA 235 Ca 0.09 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 3bpf s ALA 235 Cb -0.11 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.60 3bpf s ALA 235 CO -0.01 -0.13 0.32 -0.06 0.00 0.00 0.00 175.76 175.87 3bpf s PHE 236 N 0.34 -0.43 -0.15 0.00 0.40 -0.58 -2.72 117.98 114.83 3bpf s PHE 236 Ca -0.02 0.98 -0.01 0.00 -0.60 0.00 0.00 56.93 57.28 3bpf s PHE 236 Cb -0.03 0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.62 3bpf s PHE 236 CO -0.01 -0.26 -0.11 0.42 0.70 0.00 0.00 175.22 175.95 3bpf s ILE 237 N 1.11 3.10 0.67 0.64 1.01 -0.61 -2.06 121.20 125.07 3bpf s ILE 237 Ca -0.08 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3bpf s ILE 237 Cb -0.08 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 3bpf s ILE 237 CO -0.08 0.51 1.06 -2.16 0.00 0.00 0.00 174.94 174.26 3bpf s PRO 238 N 0.59 3.04 -0.20 2.79 0.04 -1.26 -1.46 135.00 138.54 3bpf s PRO 238 Ca -0.07 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 3bpf s PRO 238 Cb -0.15 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3bpf s PRO 238 CO 0.03 -1.02 -0.04 -0.51 0.04 0.00 0.00 177.00 175.50 3bpf s LEU 239 N -5.23 1.97 0.00 -3.56 1.43 -1.12 -4.90 118.68 107.27 3bpf s LEU 239 Ca 0.60 -0.93 0.29 0.00 -1.03 0.00 0.00 54.13 53.06 3bpf s LEU 239 Cb -0.15 -0.98 1.18 0.00 0.03 0.00 0.00 46.19 46.28 3bpf s LEU 239 CO 0.49 -0.23 1.82 -0.38 0.23 0.00 0.00 176.35 178.28 3bpf n ILE 240 N 4.81 0.00 -1.70 -0.59 2.08 -1.26 -0.99 119.36 121.71 3bpf n ILE 240 Ca -0.11 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.08 3bpf n ILE 240 Cb 0.46 0.10 0.00 0.00 -0.75 0.00 0.00 39.64 39.45 3bpf n ILE 240 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27