#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 -0.68 0.22 7.83 3.84 -1.26 -4.99 114.94 119.90 3bpf s ASN 3 Ca 0.00 1.03 -0.07 0.00 0.21 0.00 0.00 52.86 54.03 3bpf s ASN 3 Cb 0.00 1.47 0.18 0.00 -0.55 0.00 0.00 41.25 42.35 3bpf s ASN 3 CO 0.00 -0.16 1.80 0.22 -2.79 0.00 0.00 177.10 176.17 3bpf h TYR 4 N 6.80 1.21 -0.16 0.43 3.20 -1.98 -3.14 116.97 123.33 3bpf h TYR 4 Ca -0.24 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 3bpf h TYR 4 Cb 1.17 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 3bpf h TYR 4 CO 0.13 0.90 0.02 1.49 -1.64 0.00 0.00 178.16 179.06 3bpf h GLU 5 N 1.18 0.23 0.02 1.82 4.57 -1.97 -0.26 114.58 120.17 3bpf h GLU 5 Ca 0.27 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3bpf h GLU 5 Cb 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3bpf h GLU 5 CO -0.03 0.24 -0.01 0.93 -1.18 0.00 0.00 179.01 178.96 3bpf h GLU 6 N 0.23 -0.02 -0.43 1.92 5.08 -1.99 -3.15 114.58 116.22 3bpf h GLU 6 Ca 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3bpf h GLU 6 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3bpf h GLU 6 CO 0.00 0.65 0.00 -0.39 -1.00 0.00 0.00 179.01 178.27 3bpf h VAL 7 N -0.74 1.23 -0.20 3.13 -1.51 -1.53 -2.92 116.25 113.70 3bpf h VAL 7 Ca -0.00 -0.92 -0.06 0.00 -1.23 0.00 0.00 66.70 64.48 3bpf h VAL 7 Cb 0.69 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3bpf h VAL 7 CO 0.00 0.32 -0.16 -0.29 -1.23 0.00 0.00 177.57 176.22 3bpf h ILE 8 N 0.65 1.22 0.00 7.19 6.09 -1.15 -2.44 117.51 129.07 3bpf h ILE 8 Ca 0.13 -0.96 -0.05 0.00 -1.37 0.00 0.00 64.86 62.61 3bpf h ILE 8 Cb 0.40 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 3bpf h ILE 8 CO 0.02 0.30 -0.22 0.11 -3.07 0.00 0.00 178.15 175.29 3bpf h LYS 9 N 0.32 0.00 0.00 2.19 1.57 -1.46 -2.72 116.57 116.47 3bpf h LYS 9 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3bpf h LYS 9 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3bpf h LYS 9 CO 0.03 0.22 0.00 0.87 -0.57 0.00 0.00 179.45 180.00 3bpf h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -1.45 -3.52 116.57 116.32 3bpf h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bpf h LYS 10 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3bpf h LYS 10 CO 0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 3bpf n TYR 11 N -2.43 0.00 -0.71 -1.35 4.01 -1.03 -5.15 117.16 110.50 3bpf n TYR 11 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3bpf n TYR 11 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3bpf n TYR 11 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3bpf n ASP 18 N 0.00 -1.08 0.00 7.72 2.03 -1.26 -4.99 116.55 118.97 3bpf n ASP 18 Ca 0.00 0.27 0.13 0.00 0.52 0.00 0.00 54.79 55.71 3bpf n ASP 18 Cb 0.00 -0.42 0.67 0.00 -0.72 0.00 0.00 41.12 40.65 3bpf n ASP 18 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3bpf n HIS 19 N 1.53 0.00 0.18 -0.67 8.25 -1.26 -4.01 115.22 119.24 3bpf n HIS 19 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3bpf n HIS 19 Cb 0.00 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 3bpf n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bpf h ALA 20 N 3.28 -1.03 -2.32 -1.41 0.00 -1.95 -3.47 119.26 112.36 3bpf h ALA 20 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3bpf h ALA 20 Cb 0.20 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 17.93 3bpf h ALA 20 CO 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 179.25 178.10 3bpf s ALA 21 N -3.96 -1.47 -0.02 0.00 0.00 -1.26 -3.35 121.76 111.70 3bpf s ALA 21 Ca -0.07 1.96 0.02 0.00 0.00 0.00 0.00 51.96 53.88 3bpf s ALA 21 Cb 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3bpf s ALA 21 CO 0.20 -0.37 -0.07 -0.47 0.00 0.00 0.00 175.76 175.05 3bpf s TYR 22 N 1.63 0.78 -0.31 0.00 5.04 -0.17 -4.93 117.35 119.39 3bpf s TYR 22 Ca -0.09 -0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 3bpf s TYR 22 Cb -0.07 -0.57 0.10 0.00 0.35 0.00 0.00 41.96 41.77 3bpf s TYR 22 CO -0.16 -0.08 0.11 0.34 -1.34 0.00 0.00 175.55 174.41 3bpf s ASP 23 N 0.22 3.92 0.64 4.32 -1.08 -1.26 0.18 116.67 123.60 3bpf s ASP 23 Ca -0.03 -1.58 0.38 0.00 -0.52 0.00 0.00 52.55 50.80 3bpf s ASP 23 Cb -0.08 -0.76 2.17 0.00 -1.46 0.00 0.00 42.92 42.79 3bpf s ASP 23 CO 0.00 -0.42 2.31 -0.50 0.52 0.00 0.00 175.17 177.09 3bpf h TRP 24 N 8.13 0.00 -0.78 -5.34 4.06 -1.86 0.86 115.95 121.02 3bpf h TRP 24 Ca -0.15 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.86 3bpf h TRP 24 Cb 1.01 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.12 3bpf h TRP 24 CO 0.35 0.00 0.47 0.00 -3.56 0.00 0.00 178.44 175.70 3bpf h ARG 25 N 0.00 0.85 -0.53 0.49 3.08 -1.91 -0.65 114.38 115.72 3bpf h ARG 25 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3bpf h ARG 25 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3bpf h ARG 25 CO -0.00 0.57 0.00 1.28 -1.07 0.00 0.00 179.97 180.75 3bpf n LEU 26 N -4.67 2.32 -2.06 3.04 4.77 0.29 -3.99 117.00 116.70 3bpf n LEU 26 Ca 0.10 -1.17 0.02 0.00 -0.03 0.00 0.00 56.01 54.94 3bpf n LEU 26 Cb 0.16 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3bpf n LEU 26 CO 0.31 0.43 0.04 1.41 -1.33 0.00 0.00 177.39 178.24 3bpf n HIS 27 N 0.39 0.55 -2.33 -1.77 8.25 -0.77 -5.00 115.22 114.54 3bpf n HIS 27 Ca 0.12 -1.21 -0.19 0.00 -0.26 0.00 0.00 57.72 56.17 3bpf n HIS 27 Cb 0.44 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 3bpf n HIS 27 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bpf n SER 28 N 0.01 -5.59 -0.00 0.41 7.64 -1.19 -4.90 113.62 110.00 3bpf n SER 28 Ca 0.07 0.01 0.06 0.00 1.01 0.00 0.00 58.87 60.01 3bpf n SER 28 Cb 1.00 -4.64 -0.08 0.00 -1.01 0.00 0.00 64.21 59.48 3bpf n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bpf n GLY 29 N -0.99 -0.34 2.98 0.23 0.00 -0.32 -4.32 105.19 102.42 3bpf n GLY 29 Ca -0.23 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3bpf n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpf s VAL 30 N -2.51 1.80 0.86 1.61 1.01 -1.20 -4.37 120.40 117.59 3bpf s VAL 30 Ca -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.39 3bpf s VAL 30 Cb 0.08 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.53 3bpf s VAL 30 CO 0.47 -0.14 1.11 0.42 0.00 0.00 0.00 175.10 176.96 3bpf s THR 31 N 1.26 2.65 0.88 3.92 -4.23 -1.26 -4.89 115.64 113.97 3bpf s THR 31 Ca -0.05 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3bpf s THR 31 Cb -0.19 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.30 3bpf s THR 31 CO -0.07 -0.28 1.15 -2.16 -0.54 0.00 0.00 174.62 172.73 3bpf s PRO 32 N -4.77 1.24 0.24 3.99 0.04 -1.26 -4.94 135.00 129.54 3bpf s PRO 32 Ca 0.64 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 3bpf s PRO 32 Cb -0.20 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3bpf s PRO 32 CO 0.57 -2.47 1.10 0.08 0.04 0.00 0.00 177.00 176.33 3bpf s VAL 33 N -2.61 3.63 0.49 -0.36 1.01 -1.26 -5.06 120.40 116.23 3bpf s VAL 33 Ca 0.67 1.55 0.07 0.00 0.00 0.00 0.00 61.98 64.27 3bpf s VAL 33 Cb -0.23 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.18 3bpf s VAL 33 CO 0.57 0.33 0.46 -0.54 0.00 0.00 0.00 175.10 175.92 3bpf s LYS 34 N -1.04 2.41 -0.19 2.72 1.02 -1.26 -4.71 119.74 118.70 3bpf s LYS 34 Ca 0.46 -1.70 -0.00 0.00 0.02 0.00 0.00 55.97 54.75 3bpf s LYS 34 Cb -0.31 -2.35 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 3bpf s LYS 34 CO 0.39 -0.45 -0.05 0.34 -0.92 0.00 0.00 175.35 174.66 3bpf s ASP 35 N -4.28 3.19 0.00 2.83 3.68 -1.26 -1.34 116.67 119.49 3bpf s ASP 35 Ca 0.46 -0.85 0.18 0.00 2.13 0.00 0.00 52.55 54.47 3bpf s ASP 35 Cb -0.04 -0.99 1.05 0.00 -1.45 0.00 0.00 42.92 41.49 3bpf s ASP 35 CO 0.28 -0.21 1.45 0.00 0.13 0.00 0.00 175.17 176.82 3bpf n GLN 36 N 4.81 0.56 0.00 4.34 10.64 -0.21 -4.88 117.38 132.65 3bpf n GLN 36 Ca -0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.05 3bpf n GLN 36 Cb 0.46 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 3bpf n GLN 36 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3bpf n LYS 37 N -0.99 0.00 -1.27 2.61 5.02 -1.26 -2.78 118.16 119.49 3bpf n LYS 37 Ca 0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3bpf n LYS 37 Cb 0.06 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 3bpf n LYS 37 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3bpf n ASN 38 N -2.58 6.29 -3.81 4.39 4.05 -1.26 -4.84 115.26 117.50 3bpf n ASN 38 Ca 0.00 -3.06 -0.15 0.00 0.45 0.00 0.00 54.58 51.82 3bpf n ASN 38 Cb 0.00 -1.22 -0.16 0.00 1.23 0.00 0.00 39.78 39.64 3bpf n ASN 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3bpf s GLY 40 N 0.80 0.68 0.00 0.00 0.00 -0.27 -4.67 107.32 103.86 3bpf s GLY 40 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3bpf s GLY 40 CO -0.02 3.05 0.12 1.44 0.00 0.00 0.00 173.10 177.68 3bpf n SER 41 N 11.18 0.23 -0.22 1.64 7.64 -1.26 -2.61 113.62 130.22 3bpf n SER 41 Ca 0.27 -0.63 0.01 0.00 1.01 0.00 0.00 58.87 59.54 3bpf n SER 41 Cb 0.50 0.21 0.10 0.00 -1.01 0.00 0.00 64.21 64.01 3bpf n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bpf n TRP 43 N -5.35 0.55 0.14 0.00 4.27 -1.26 0.67 117.44 116.46 3bpf n TRP 43 Ca 0.10 1.11 -0.12 0.00 -3.89 0.00 0.00 57.50 54.70 3bpf n TRP 43 Cb 0.37 -1.17 -0.07 0.00 -1.36 0.00 0.00 31.31 29.08 3bpf n TRP 43 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3bpf h ALA 44 N 1.84 -0.39 -1.00 -1.67 0.00 -0.59 -2.08 119.26 115.37 3bpf h ALA 44 Ca 0.54 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.45 3bpf h ALA 44 Cb 1.08 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 3bpf h ALA 44 CO -0.88 -0.48 0.61 0.74 0.00 0.00 0.00 179.25 179.24 3bpf h PHE 45 N -0.87 1.04 -0.01 0.00 -1.00 -0.88 0.29 116.94 115.51 3bpf h PHE 45 Ca -0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3bpf h PHE 45 Cb 0.52 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.76 3bpf h PHE 45 CO 0.04 0.22 -0.02 1.03 -1.61 0.00 0.00 178.31 177.97 3bpf h SER 46 N 0.74 0.04 0.60 2.17 0.87 0.26 -1.48 113.55 116.75 3bpf h SER 46 Ca 0.58 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3bpf h SER 46 Cb 0.94 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3bpf h SER 46 CO -0.38 0.62 -0.36 0.77 -0.53 0.00 0.00 176.83 176.96 3bpf h SER 47 N -0.55 -0.90 -0.55 6.23 4.64 -1.07 -1.26 113.55 120.09 3bpf h SER 47 Ca -0.00 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3bpf h SER 47 Cb 0.62 0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.91 3bpf h SER 47 CO 0.01 -0.57 0.22 0.40 -0.87 0.00 0.00 176.83 176.02 3bpf h ILE 48 N -0.91 0.84 -0.89 0.95 2.04 -1.04 0.17 117.51 118.67 3bpf h ILE 48 Ca -0.07 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.75 3bpf h ILE 48 Cb 0.73 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3bpf h ILE 48 CO 0.08 0.08 0.57 1.23 0.00 0.00 0.00 178.15 180.11 3bpf h GLY 49 N 0.42 1.28 1.53 5.37 0.00 -1.20 0.27 103.07 110.74 3bpf h GLY 49 Ca 0.26 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3bpf h GLY 49 CO -0.25 0.18 -0.26 0.23 0.00 0.00 0.00 176.54 176.44 3bpf h SER 50 N 0.84 0.54 0.09 0.19 0.87 0.51 -2.40 113.55 114.20 3bpf h SER 50 Ca 0.42 -0.19 -0.27 0.00 -1.23 0.00 0.00 61.79 60.52 3bpf h SER 50 Cb 0.48 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3bpf h SER 50 CO -0.19 0.79 -1.11 -0.37 -0.53 0.00 0.00 176.83 175.43 3bpf h VAL 51 N 0.47 1.29 -0.54 2.23 -1.51 0.01 -2.80 116.25 115.40 3bpf h VAL 51 Ca 0.07 -2.35 0.07 0.00 -1.23 0.00 0.00 66.70 63.26 3bpf h VAL 51 Cb 0.70 2.50 -0.03 0.00 -2.13 0.00 0.00 31.29 32.32 3bpf h VAL 51 CO 0.05 0.72 0.36 -0.33 -1.23 0.00 0.00 177.57 177.15 3bpf h GLU 52 N 0.34 0.44 -0.29 5.19 5.08 -0.96 -1.59 114.58 122.79 3bpf h GLU 52 Ca -0.14 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3bpf h GLU 52 Cb 1.77 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 3bpf h GLU 52 CO 0.21 0.29 -0.40 0.77 -1.00 0.00 0.00 179.01 178.89 3bpf h SER 53 N 0.46 0.85 -0.30 1.42 0.02 -1.37 -1.84 113.55 112.77 3bpf h SER 53 Ca 0.24 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3bpf h SER 53 Cb 0.36 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3bpf h SER 53 CO -0.06 1.19 0.01 1.56 -1.14 0.00 0.00 176.83 178.38 3bpf h GLN 54 N 0.53 0.53 -0.32 3.45 1.08 -1.09 0.90 115.11 120.19 3bpf h GLN 54 Ca 0.03 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3bpf h GLN 54 Cb 0.99 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.34 3bpf h GLN 54 CO 0.09 0.67 0.10 1.88 -0.95 0.00 0.00 178.83 180.62 3bpf h TYR 55 N 0.33 0.18 0.00 2.96 -1.99 -1.35 0.74 116.97 117.83 3bpf h TYR 55 Ca 0.09 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3bpf h TYR 55 Cb 0.43 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 3bpf h TYR 55 CO 0.03 0.07 -0.08 0.00 -0.00 0.00 0.00 178.16 178.18 3bpf h ALA 56 N 1.21 1.10 0.01 3.88 0.00 -0.95 0.24 119.26 124.75 3bpf h ALA 56 Ca 0.14 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 3bpf h ALA 56 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3bpf h ALA 56 CO -0.16 0.10 -1.39 -0.89 0.00 0.00 0.00 179.25 176.91 3bpf n ILE 57 N -3.33 1.55 -0.10 0.00 5.41 0.29 -4.16 119.36 119.02 3bpf n ILE 57 Ca -0.01 -0.09 -0.18 0.00 1.00 0.00 0.00 62.75 63.47 3bpf n ILE 57 Cb 0.26 -2.01 -0.09 0.00 -0.71 0.00 0.00 39.64 37.10 3bpf n ILE 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3bpf n ARG 58 N -4.36 0.54 -0.57 0.38 5.12 0.25 -4.31 116.66 113.72 3bpf n ARG 58 Ca -0.34 0.51 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 3bpf n ARG 58 Cb 0.72 -1.69 0.31 0.00 -1.16 0.00 0.00 32.46 30.64 3bpf n ARG 58 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3bpf n LYS 59 N -4.45 3.49 -4.17 5.56 5.02 -0.18 -4.95 118.16 118.48 3bpf n LYS 59 Ca -0.29 -2.42 -0.33 0.00 -2.02 0.00 0.00 58.31 53.25 3bpf n LYS 59 Cb 0.60 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3bpf n LYS 59 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3bpf n ASN 60 N 0.81 -2.30 -3.92 4.39 5.15 0.65 -4.87 115.26 115.17 3bpf n ASN 60 Ca 0.22 -1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 52.89 3bpf n ASN 60 Cb 0.82 -2.74 -0.17 0.00 -0.53 0.00 0.00 39.78 37.16 3bpf n ASN 60 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3bpf s LYS 61 N -6.87 1.61 -0.57 1.20 2.47 -0.91 -4.94 119.74 111.72 3bpf s LYS 61 Ca 0.52 -0.30 -0.28 0.00 -1.56 0.00 0.00 55.97 54.35 3bpf s LYS 61 Cb -0.28 -1.67 0.01 0.00 -1.46 0.00 0.00 37.83 34.43 3bpf s LYS 61 CO 0.92 -0.27 1.41 -1.17 0.16 0.00 0.00 175.35 176.40 3bpf s LEU 62 N 1.68 3.40 0.00 5.43 0.20 -1.26 -2.37 118.68 125.76 3bpf s LEU 62 Ca 0.05 0.26 0.06 0.00 0.69 0.00 0.00 54.13 55.19 3bpf s LEU 62 Cb -0.13 -3.04 -0.02 0.00 -0.43 0.00 0.00 46.19 42.57 3bpf s LEU 62 CO -0.08 -1.71 -0.19 -0.63 -0.29 0.00 0.00 176.35 173.44 3bpf s ILE 63 N 6.03 1.53 -0.28 6.68 -1.09 -1.26 -5.08 121.20 127.73 3bpf s ILE 63 Ca 0.52 -0.92 -0.05 0.00 -2.23 0.00 0.00 60.65 57.97 3bpf s ILE 63 Cb -0.11 -1.29 0.02 0.00 -1.58 0.00 0.00 42.46 39.50 3bpf s ILE 63 CO 0.25 0.35 0.03 0.42 -1.23 0.00 0.00 174.94 174.76 3bpf s THR 64 N -0.55 3.53 0.69 2.92 -4.23 -1.26 -4.76 115.64 111.97 3bpf s THR 64 Ca 0.07 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 3bpf s THR 64 Cb -0.08 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.04 3bpf s THR 64 CO -0.00 0.08 0.94 -0.76 -0.54 0.00 0.00 174.62 174.34 3bpf s LEU 65 N 1.42 2.98 -0.44 4.79 1.43 -1.26 -1.38 118.68 126.21 3bpf s LEU 65 Ca 0.01 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 3bpf s LEU 65 Cb -0.17 -1.67 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3bpf s LEU 65 CO 0.00 -1.76 0.32 -0.55 0.23 0.00 0.00 176.35 174.59 3bpf s SER 66 N -4.76 5.83 0.17 2.29 0.15 -0.43 -3.64 113.70 113.31 3bpf s SER 66 Ca 0.66 -1.47 -0.17 0.00 0.70 0.00 0.00 55.95 55.67 3bpf s SER 66 Cb -0.05 -2.06 0.11 0.00 -1.71 0.00 0.00 66.02 62.31 3bpf s SER 66 CO 0.43 -0.59 1.65 -0.33 1.20 0.00 0.00 173.24 175.60 3bpf h GLU 67 N 8.54 -0.05 -0.45 5.44 4.39 -1.91 -3.03 114.58 127.51 3bpf h GLU 67 Ca -0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3bpf h GLU 67 Cb 1.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3bpf h GLU 67 CO 0.81 -0.03 0.22 0.37 -1.16 0.00 0.00 179.01 179.21 3bpf h GLN 68 N -0.05 0.62 -0.15 2.33 5.75 -1.81 -0.18 115.11 121.62 3bpf h GLN 68 Ca 0.20 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3bpf h GLN 68 Cb 0.37 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3bpf h GLN 68 CO -0.46 0.48 0.01 1.49 -2.65 0.00 0.00 178.83 177.71 3bpf h GLU 69 N 0.63 0.26 -0.04 1.69 4.81 -1.81 0.34 114.58 120.46 3bpf h GLU 69 Ca 0.16 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3bpf h GLU 69 Cb 0.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3bpf h GLU 69 CO -0.02 0.47 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.37 3bpf h LEU 70 N 0.02 -0.87 -1.13 1.64 3.38 -1.28 0.26 115.31 117.33 3bpf h LEU 70 Ca 0.04 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3bpf h LEU 70 Cb 0.34 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 3bpf h LEU 70 CO 0.01 -0.35 0.59 0.58 0.09 0.00 0.00 178.44 179.36 3bpf h VAL 71 N -0.41 1.21 0.00 1.22 2.07 -0.90 -0.40 116.25 119.03 3bpf h VAL 71 Ca 0.07 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3bpf h VAL 71 Cb 0.52 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3bpf h VAL 71 CO -0.27 0.21 -0.41 0.44 0.02 0.00 0.00 177.57 177.56 3bpf h ASP 72 N 1.18 0.00 0.00 0.57 3.32 0.21 -3.37 116.42 118.33 3bpf h ASP 72 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3bpf h ASP 72 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3bpf h ASP 72 CO -0.08 0.41 -0.90 0.00 -1.72 0.00 0.00 179.24 176.95 3bpf h SER 74 N 0.00 -1.55 0.00 0.00 0.87 -1.27 -3.45 113.55 108.16 3bpf h SER 74 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3bpf h SER 74 Cb 0.11 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3bpf h SER 74 CO 0.00 -0.52 0.00 0.49 -0.53 0.00 0.00 176.83 176.27 3bpf n PHE 75 N -5.32 0.00 1.87 2.24 3.72 -1.26 -4.52 117.46 114.18 3bpf n PHE 75 Ca -0.08 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.47 3bpf n PHE 75 Cb 0.39 -0.03 0.77 0.00 -0.94 0.00 0.00 39.48 39.67 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 -0.17 1.16 -4.42 -1.08 5.02 -1.26 -4.84 118.16 112.57 3bpf n LYS 76 Ca 0.00 -0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 55.83 3bpf n LYS 76 Cb 0.00 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 3bpf n LYS 76 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3bpf s ASN 77 N -1.90 2.23 -0.49 4.39 0.01 -1.26 -4.76 114.94 113.14 3bpf s ASN 77 Ca 0.42 -1.64 0.04 0.00 -0.71 0.00 0.00 52.86 50.97 3bpf s ASN 77 Cb 0.20 0.45 0.40 0.00 0.41 0.00 0.00 41.25 42.71 3bpf s ASN 77 CO 0.33 -0.92 1.15 -1.22 -1.51 0.00 0.00 177.10 174.93 3bpf n TYR 78 N -0.76 3.48 0.00 2.20 4.01 0.85 -4.87 117.16 122.07 3bpf n TYR 78 Ca -0.02 -3.20 0.00 0.00 -0.16 0.00 0.00 57.90 54.53 3bpf n TYR 78 Cb 0.65 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.44 2.44 0.25 2.72 0.00 -1.25 -0.24 105.19 108.67 3bpf n GLY 79 Ca 0.39 0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.87 5.42 0.00 0.00 4.13 0.67 -1.11 115.26 121.49 3bpf n ASN 81 Ca 0.00 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 53.04 3bpf n ASN 81 Cb 0.24 -0.90 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 3bpf n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bpf n GLY 82 N -0.34 -0.10 0.00 7.41 0.00 -0.95 -4.68 105.19 106.52 3bpf n GLY 82 Ca 0.41 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 0.02 2.44 3.21 -0.02 0.00 -1.26 -0.10 105.19 109.47 3bpf n GLY 83 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 0.82 0.21 0.99 1.43 -1.26 -4.82 118.68 116.05 3bpf s LEU 84 Ca 0.00 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3bpf s LEU 84 Cb 0.00 1.10 0.15 0.00 0.03 0.00 0.00 46.19 47.47 3bpf s LEU 84 CO 0.00 -0.17 1.85 0.40 0.23 0.00 0.00 176.35 178.66 3bpf h ILE 85 N 4.52 1.21 -0.04 -0.59 2.04 -1.98 -0.94 117.51 121.73 3bpf h ILE 85 Ca -0.27 -0.47 -0.18 0.00 1.00 0.00 0.00 64.86 64.94 3bpf h ILE 85 Cb 1.19 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3bpf h ILE 85 CO 0.32 0.22 -0.77 -0.55 0.00 0.00 0.00 178.15 177.38 3bpf h ASN 86 N 1.03 0.36 -0.78 1.72 -1.07 -1.97 -2.84 115.58 112.02 3bpf h ASN 86 Ca 0.27 -0.25 -0.05 0.00 0.07 0.00 0.00 56.30 56.34 3bpf h ASN 86 Cb -0.03 -0.11 -0.03 0.00 -2.07 0.00 0.00 38.32 36.08 3bpf h ASN 86 CO -0.05 0.99 0.30 0.78 0.07 0.00 0.00 177.43 179.53 3bpf h ASN 87 N 0.19 1.08 0.10 6.14 2.35 -1.81 -2.08 115.58 121.55 3bpf h ASN 87 Ca -0.03 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3bpf h ASN 87 Cb 1.35 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 39.39 3bpf h ASN 87 CO 0.12 0.96 -0.51 0.00 -1.65 0.00 0.00 177.43 176.36 3bpf h ALA 88 N 1.16 -0.98 0.00 -0.83 0.00 -1.04 -1.51 119.26 116.07 3bpf h ALA 88 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3bpf h ALA 88 Cb 0.23 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bpf h ALA 88 CO -0.02 -1.11 -0.05 0.74 0.00 0.00 0.00 179.25 178.82 3bpf h PHE 89 N -0.72 0.00 0.59 0.00 0.04 -1.43 -0.53 116.94 114.88 3bpf h PHE 89 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3bpf h PHE 89 Cb 0.73 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.88 3bpf h PHE 89 CO -0.46 0.05 -0.28 1.49 -0.60 0.00 0.00 178.31 178.51 3bpf h GLU 90 N 0.00 -0.76 0.00 1.51 4.57 -0.64 -2.42 114.58 116.84 3bpf h GLU 90 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3bpf h GLU 90 Cb 0.12 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3bpf h GLU 90 CO 0.01 -0.50 0.00 -0.25 -1.18 0.00 0.00 179.01 177.08 3bpf n ASP 91 N -4.11 0.66 0.00 1.04 8.00 -0.64 -0.86 116.55 120.65 3bpf n ASP 91 Ca -0.10 0.71 -0.13 0.00 0.71 0.00 0.00 54.79 55.99 3bpf n ASP 91 Cb 0.31 -0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 40.48 3bpf n ASP 91 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3bpf h MET 92 N 0.00 -0.02 -0.05 -1.24 2.86 -1.09 0.72 114.93 116.12 3bpf h MET 92 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3bpf h MET 92 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3bpf h MET 92 CO 0.00 0.37 -0.19 0.82 1.06 0.00 0.00 176.91 178.97 3bpf h ILE 93 N -0.40 1.16 0.00 -1.22 2.04 -0.48 -1.57 117.51 117.04 3bpf h ILE 93 Ca -0.00 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3bpf h ILE 93 Cb 0.39 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3bpf h ILE 93 CO 0.00 0.22 -1.29 -0.62 0.00 0.00 0.00 178.15 176.47 3bpf n GLU 94 N -4.28 0.32 -0.14 2.37 1.02 -0.33 -3.35 120.64 116.25 3bpf n GLU 94 Ca -0.02 -0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.15 3bpf n GLU 94 Cb 0.27 -1.55 0.27 0.00 -0.02 0.00 0.00 31.44 30.41 3bpf n GLU 94 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bpf n LEU 95 N -1.94 1.91 -3.37 -4.62 4.77 0.24 -4.96 117.00 109.04 3bpf n LEU 95 Ca 0.01 -0.88 -0.16 0.00 -0.03 0.00 0.00 56.01 54.95 3bpf n LEU 95 Cb 0.45 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3bpf n LEU 95 CO 0.43 0.44 0.09 0.61 -1.33 0.00 0.00 177.39 177.63 3bpf n GLY 96 N 1.14 -0.53 0.00 -0.72 0.00 -1.14 -4.78 105.19 99.16 3bpf n GLY 96 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.15 -1.70 3.19 -0.02 0.00 -0.60 -4.79 105.19 100.11 3bpf n GLY 97 Ca -0.24 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.89 1.23 0.91 -0.61 1.01 0.14 -4.73 121.20 117.27 3bpf s ILE 98 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 3bpf s ILE 98 Cb 0.00 -1.15 0.14 0.00 0.01 0.00 0.00 42.46 41.46 3bpf s ILE 98 CO 0.00 -0.12 1.13 0.00 0.00 0.00 0.00 174.94 175.95 3bpf s PRO 100 N -4.68 4.43 0.50 0.00 0.04 -1.26 -1.32 135.00 132.71 3bpf s PRO 100 Ca 0.66 0.90 0.16 0.00 0.04 0.00 0.00 61.00 62.76 3bpf s PRO 100 Cb -0.22 -3.46 0.85 0.00 0.04 0.00 0.00 34.50 31.71 3bpf s PRO 100 CO 0.58 0.04 1.41 0.38 0.04 0.00 0.00 177.00 179.45 3bpf h ASP 101 N 6.80 0.00 -1.00 6.66 2.03 -1.29 0.49 116.42 130.11 3bpf h ASP 101 Ca -0.40 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.95 3bpf h ASP 101 Cb 1.19 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.63 3bpf h ASP 101 CO 0.76 0.00 0.65 1.23 -1.03 0.00 0.00 179.24 180.85 3bpf h GLY 102 N 0.00 1.49 1.26 7.15 0.00 -1.91 -1.90 103.07 109.16 3bpf h GLY 102 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3bpf h GLY 102 CO 0.00 0.38 -0.69 -0.55 0.00 0.00 0.00 176.54 175.68 3bpf h ASP 103 N 1.21 0.00 -2.17 0.19 3.32 -0.34 -3.42 116.42 115.21 3bpf h ASP 103 Ca 0.42 -0.05 -0.57 0.00 0.02 0.00 0.00 57.03 56.85 3bpf h ASP 103 Cb 0.09 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.27 3bpf h ASP 103 CO -0.15 0.03 -1.02 0.00 -1.72 0.00 0.00 179.24 176.38 3bpf n TYR 104 N -2.61 -0.79 -0.90 4.55 -0.00 -1.00 -4.92 117.16 111.50 3bpf n TYR 104 Ca 0.02 -3.36 -0.29 0.00 -0.00 0.00 0.00 57.90 54.27 3bpf n TYR 104 Cb 0.52 0.05 0.21 0.00 -0.00 0.00 0.00 39.34 40.12 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 -0.42 -0.12 0.16 2.98 0.04 -0.75 -4.43 135.00 132.47 3bpf s PRO 105 Ca 0.34 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 3bpf s PRO 105 Cb 0.09 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 3bpf s PRO 105 CO -0.16 -3.15 0.72 -0.47 0.04 0.00 0.00 177.00 173.98 3bpf s TYR 106 N -2.74 3.81 0.00 0.56 5.04 -1.26 -4.54 117.35 118.21 3bpf s TYR 106 Ca 0.67 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 3bpf s TYR 106 Cb -0.21 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.43 3bpf s TYR 106 CO 0.61 0.48 0.00 0.28 -1.34 0.00 0.00 175.55 175.57 3bpf n VAL 107 N 1.36 0.00 0.00 3.14 0.31 -1.26 -5.07 118.33 116.81 3bpf n VAL 107 Ca -0.06 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3bpf n VAL 107 Cb 0.50 0.92 0.00 0.00 -0.91 0.00 0.00 33.84 34.35 3bpf n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bpf n SER 108 N -0.36 0.00 0.00 4.52 3.41 -1.26 -3.18 113.62 116.75 3bpf n SER 108 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3bpf n SER 108 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 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 6.26 0.00 -4.69 4.04 5.75 -1.26 -4.76 116.55 121.89 3bpf n ASP 109 Ca 0.00 0.23 -0.42 0.00 -0.01 0.00 0.00 54.79 54.59 3bpf n ASP 109 Cb 0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 3bpf n ASP 109 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bpf s ALA 110 N -2.74 3.66 0.22 2.12 0.00 -1.19 -4.94 121.76 118.88 3bpf s ALA 110 Ca 0.12 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 3bpf s ALA 110 Cb 0.10 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3bpf s ALA 110 CO 0.26 -1.04 1.59 -1.25 0.00 0.00 0.00 175.76 175.32 3bpf s PRO 111 N 2.50 4.18 -0.30 0.00 0.04 -1.26 -4.97 135.00 135.20 3bpf s PRO 111 Ca 0.71 2.46 -0.14 0.00 0.04 0.00 0.00 61.00 64.07 3bpf s PRO 111 Cb -0.38 -3.10 0.14 0.00 0.04 0.00 0.00 34.50 31.21 3bpf s PRO 111 CO 0.31 -0.62 0.86 1.21 0.04 0.00 0.00 177.00 178.80 3bpf s ASN 112 N 0.88 -0.76 1.01 6.66 3.84 -1.26 -5.17 114.94 120.13 3bpf s ASN 112 Ca 0.68 1.09 -0.12 0.00 0.21 0.00 0.00 52.86 54.72 3bpf s ASN 112 Cb -0.46 1.75 0.19 0.00 -0.55 0.00 0.00 41.25 42.19 3bpf s ASN 112 CO 0.37 -0.16 1.08 -0.76 -2.79 0.00 0.00 177.10 174.84 3bpf s LEU 113 N 2.34 1.65 0.28 3.21 1.43 -1.26 -4.93 118.68 121.40 3bpf s LEU 113 Ca -0.05 1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3bpf s LEU 113 Cb -0.07 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 3bpf s LEU 113 CO -0.18 -3.26 0.59 0.00 0.23 0.00 0.00 176.35 173.74 3bpf s ASN 115 N -2.69 -1.22 0.63 0.00 3.84 -1.26 -5.00 114.94 109.24 3bpf s ASN 115 Ca 0.47 -1.37 0.33 0.00 0.21 0.00 0.00 52.86 52.50 3bpf s ASN 115 Cb -0.11 1.59 1.80 0.00 -0.55 0.00 0.00 41.25 43.98 3bpf s ASN 115 CO 0.25 -0.05 2.08 -0.29 -2.79 0.00 0.00 177.10 176.30 3bpf h ILE 116 N 4.51 0.19 -1.02 -5.21 2.10 -1.99 -2.92 117.51 113.18 3bpf h ILE 116 Ca 0.05 0.00 -0.51 0.00 1.08 0.00 0.00 64.86 65.47 3bpf h ILE 116 Cb 1.13 0.79 -0.19 0.00 -1.09 0.00 0.00 36.82 37.46 3bpf h ILE 116 CO -0.01 0.00 0.55 0.47 -1.08 0.00 0.00 178.15 178.09 3bpf n ASP 117 N -3.31 6.78 -0.62 2.19 10.43 -1.26 -4.32 116.55 126.43 3bpf n ASP 117 Ca -0.00 -3.33 0.07 0.00 2.57 0.00 0.00 54.79 54.10 3bpf n ASP 117 Cb 0.32 -1.13 0.11 0.00 1.84 0.00 0.00 41.12 42.26 3bpf n ASP 117 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3bpf n ARG 118 N 0.31 1.74 -3.63 -1.24 1.74 -1.10 -4.98 116.66 109.49 3bpf n ARG 118 Ca 0.46 -1.67 -0.12 0.00 -0.77 0.00 0.00 57.85 55.75 3bpf n ARG 118 Cb 0.53 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 3bpf n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bpf h THR 120 N 4.23 0.00 -3.27 0.00 1.35 -1.94 -3.43 112.91 109.85 3bpf h THR 120 Ca -0.29 -0.06 -0.58 0.00 -0.55 0.00 0.00 66.41 64.93 3bpf h THR 120 Cb 1.18 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.53 3bpf h THR 120 CO 0.08 0.00 -0.09 -1.83 -0.25 0.00 0.00 175.52 173.43 3bpf s GLU 121 N -3.82 4.27 0.22 4.72 -1.05 -1.26 -5.08 118.70 116.70 3bpf s GLU 121 Ca -0.07 0.58 0.10 0.00 -0.15 0.00 0.00 54.97 55.43 3bpf s GLU 121 Cb 0.01 -3.36 -0.04 0.00 -0.44 0.00 0.00 34.13 30.29 3bpf s GLU 121 CO 0.22 0.33 -0.10 0.15 0.95 0.00 0.00 175.26 176.80 3bpf s LYS 122 N 0.02 2.00 -0.16 -4.83 1.02 -1.26 -4.57 119.74 111.97 3bpf s LYS 122 Ca 0.28 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 3bpf s LYS 122 Cb -0.17 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 3bpf s LYS 122 CO 0.14 0.39 -0.13 0.71 -0.92 0.00 0.00 175.35 175.54 3bpf s TYR 123 N -2.01 2.82 0.00 3.18 1.51 0.12 -4.75 117.35 118.22 3bpf s TYR 123 Ca 0.27 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 3bpf s TYR 123 Cb -0.07 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3bpf s TYR 123 CO 0.16 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.60 3bpf n GLY 124 N 4.00 4.68 3.10 0.71 0.00 -1.26 0.27 105.19 116.68 3bpf n GLY 124 Ca -0.19 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 3bpf n GLY 124 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bpf s ILE 125 N -1.11 0.85 0.25 -0.61 -0.00 -1.26 -4.87 121.20 114.45 3bpf s ILE 125 Ca 0.00 -0.93 0.03 0.00 -0.00 0.00 0.00 60.65 59.75 3bpf s ILE 125 Cb 0.00 -0.81 -0.00 0.00 -0.00 0.00 0.00 42.46 41.65 3bpf s ILE 125 CO 0.00 -0.10 1.62 0.11 -0.00 0.00 0.00 174.94 176.57 3bpf h LYS 126 N 4.92 0.34 0.00 0.37 1.57 -1.52 -3.45 116.57 118.80 3bpf h LYS 126 Ca -0.36 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3bpf h LYS 126 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3bpf h LYS 126 CO 0.44 0.74 0.00 0.09 -0.57 0.00 0.00 179.45 180.15 3bpf n ASN 127 N -3.98 0.00 -4.02 0.86 3.02 -1.09 -5.05 115.26 105.00 3bpf n ASN 127 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.45 3bpf n ASN 127 Cb 0.54 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 3bpf n ASN 127 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3bpf s TYR 128 N -2.10 0.37 0.21 3.10 1.13 -1.26 0.75 117.35 119.55 3bpf s TYR 128 Ca 0.00 -0.78 0.09 0.00 -1.41 0.00 0.00 57.07 54.97 3bpf s TYR 128 Cb 0.00 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.54 3bpf s TYR 128 CO 0.00 -0.33 -0.17 -0.48 -2.51 0.00 0.00 175.55 172.06 3bpf s LEU 129 N -2.34 2.53 0.02 -3.49 0.05 -0.78 -4.88 118.68 109.79 3bpf s LEU 129 Ca -0.02 -0.97 -0.18 0.00 0.05 0.00 0.00 54.13 53.01 3bpf s LEU 129 Cb 0.01 -0.85 -0.06 0.00 -2.05 0.00 0.00 46.19 43.24 3bpf s LEU 129 CO -0.06 -0.07 0.51 -0.55 -0.55 0.00 0.00 176.35 175.63 3bpf s SER 130 N -3.16 6.93 -0.19 1.48 0.15 -1.26 -2.35 113.70 115.30 3bpf s SER 130 Ca 0.23 1.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.87 3bpf s SER 130 Cb -0.03 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 3bpf s SER 130 CO 0.09 0.24 0.17 -0.69 1.20 0.00 0.00 173.24 174.25 3bpf s VAL 131 N -0.78 5.38 0.33 4.45 1.01 0.17 -4.37 120.40 126.59 3bpf s VAL 131 Ca 0.27 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 3bpf s VAL 131 Cb -0.18 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 3bpf s VAL 131 CO 0.16 0.43 1.26 -2.16 0.00 0.00 0.00 175.10 174.79 3bpf s PRO 132 N 0.34 4.39 0.61 2.72 0.04 -1.26 -4.53 135.00 137.30 3bpf s PRO 132 Ca 0.11 2.12 0.31 0.00 0.04 0.00 0.00 61.00 63.58 3bpf s PRO 132 Cb -0.12 -3.07 1.77 0.00 0.04 0.00 0.00 34.50 33.12 3bpf s PRO 132 CO -0.00 -0.12 2.11 0.38 0.04 0.00 0.00 177.00 179.41 3bpf h ASP 133 N 3.41 0.00 -0.40 6.66 2.03 -1.84 -2.36 116.42 123.92 3bpf h ASP 133 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3bpf h ASP 133 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3bpf h ASP 133 CO 0.65 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 178.40 3bpf n ASN 134 N -3.57 3.77 -0.93 4.15 6.94 -1.26 -4.10 115.26 120.26 3bpf n ASN 134 Ca 0.00 -2.47 0.02 0.00 -0.02 0.00 0.00 54.58 52.12 3bpf n ASN 134 Cb 0.30 -0.56 0.02 0.00 -2.36 0.00 0.00 39.78 37.18 3bpf n ASN 134 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3bpf n LYS 135 N 0.53 0.11 0.12 -3.83 5.02 -0.89 -4.93 118.16 114.29 3bpf n LYS 135 Ca 0.18 -1.59 0.11 0.00 -2.02 0.00 0.00 58.31 54.99 3bpf n LYS 135 Cb 0.77 -0.36 0.61 0.00 -0.02 0.00 0.00 35.03 36.03 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 0.48 0.10 0.31 -0.35 3.38 -1.71 -1.53 115.31 115.98 3bpf h LEU 136 Ca -0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bpf h LEU 136 Cb 1.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3bpf h LEU 136 CO 0.04 0.06 -0.15 0.11 0.09 0.00 0.00 178.44 178.60 3bpf h LYS 137 N 0.11 -0.40 -0.63 1.13 6.56 -1.86 -1.14 116.57 120.34 3bpf h LYS 137 Ca 0.12 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.83 3bpf h LYS 137 Cb 0.34 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 32.02 3bpf h LYS 137 CO -0.01 -0.06 0.27 1.49 -2.06 0.00 0.00 179.45 179.07 3bpf h GLU 138 N -0.91 0.46 0.19 3.15 4.81 -1.88 0.47 114.58 120.87 3bpf h GLU 138 Ca -0.04 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3bpf h GLU 138 Cb 0.51 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3bpf h GLU 138 CO 0.07 0.30 -0.50 0.00 -0.73 0.00 0.00 179.01 178.15 3bpf h ALA 139 N 1.41 -1.01 0.03 2.92 0.00 -1.32 -1.29 119.26 120.00 3bpf h ALA 139 Ca 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bpf h ALA 139 Cb 0.36 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3bpf h ALA 139 CO -0.28 -1.11 -0.52 -0.07 0.00 0.00 0.00 179.25 177.26 3bpf h LEU 140 N -0.77 -1.60 -0.25 0.00 3.38 -0.54 0.85 115.31 116.39 3bpf h LEU 140 Ca -0.02 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3bpf h LEU 140 Cb 0.74 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3bpf h LEU 140 CO -0.23 -0.52 0.12 -0.09 0.09 0.00 0.00 178.44 177.82 3bpf h ARG 141 N -0.68 0.26 0.00 1.13 9.65 -0.80 -2.52 114.38 121.42 3bpf h ARG 141 Ca 0.01 -0.02 -0.30 0.00 -1.10 0.00 0.00 59.98 58.57 3bpf h ARG 141 Cb 0.71 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.18 3bpf h ARG 141 CO -0.33 0.17 -2.26 1.19 2.80 0.00 0.00 179.97 181.54 3bpf n PHE 142 N -4.98 0.08 -0.11 2.20 3.72 -0.50 -4.63 117.46 113.24 3bpf n PHE 142 Ca -0.02 0.03 -0.18 0.00 -0.05 0.00 0.00 57.45 57.23 3bpf n PHE 142 Cb 0.06 -0.93 -0.12 0.00 -0.94 0.00 0.00 39.48 37.54 3bpf n PHE 142 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3bpf n LEU 143 N -2.69 2.74 0.00 4.37 4.77 0.23 -4.97 117.00 121.45 3bpf n LEU 143 Ca -0.27 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3bpf n LEU 143 Cb 1.05 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3bpf n LEU 143 CO 0.44 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3bpf n GLY 144 N 2.20 1.07 3.66 -0.72 0.00 -0.83 -5.02 105.19 105.54 3bpf n GLY 144 Ca -0.44 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.04 3bpf n GLY 144 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bpf n PRO 145 N -1.55 1.84 -4.76 1.61 -0.02 -1.26 -3.97 135.00 126.89 3bpf n PRO 145 Ca 0.00 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 3bpf n PRO 145 Cb 0.00 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.19 3bpf n PRO 145 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bpf s ILE 146 N -1.07 3.10 -0.02 4.25 1.01 -0.40 -4.79 121.20 123.28 3bpf s ILE 146 Ca 0.57 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3bpf s ILE 146 Cb -0.62 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3bpf s ILE 146 CO 0.61 0.53 1.19 -0.44 0.00 0.00 0.00 174.94 176.83 3bpf s SER 147 N 0.29 7.07 0.01 3.58 0.01 0.26 0.37 113.70 125.29 3bpf s SER 147 Ca -0.09 1.86 0.01 0.00 1.31 0.00 0.00 55.95 59.04 3bpf s SER 147 Cb -0.16 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 3bpf s SER 147 CO 0.05 -0.54 -0.05 0.27 0.41 0.00 0.00 173.24 173.38 3bpf s ILE 148 N 1.87 0.38 0.42 1.44 -4.36 -0.62 -0.64 121.20 119.67 3bpf s ILE 148 Ca 0.56 -0.56 -0.08 0.00 -0.26 0.00 0.00 60.65 60.32 3bpf s ILE 148 Cb -0.26 -0.39 -0.05 0.00 1.25 0.00 0.00 42.46 43.01 3bpf s ILE 148 CO 0.24 -0.13 0.75 -0.55 0.24 0.00 0.00 174.94 175.49 3bpf s SER 149 N -0.74 6.43 0.01 4.36 0.15 -0.97 -0.89 113.70 122.05 3bpf s SER 149 Ca -0.04 1.01 -0.23 0.00 0.70 0.00 0.00 55.95 57.39 3bpf s SER 149 Cb -0.05 -2.28 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 3bpf s SER 149 CO -0.00 -0.43 0.52 0.54 1.20 0.00 0.00 173.24 175.07 3bpf s VAL 150 N -2.46 0.03 -1.05 4.45 0.11 0.33 -2.39 120.40 119.42 3bpf s VAL 150 Ca 0.49 -0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 3bpf s VAL 150 Cb -0.10 -0.93 0.21 0.00 -1.53 0.00 0.00 36.38 34.03 3bpf s VAL 150 CO 0.36 -0.13 1.13 0.00 -3.33 0.00 0.00 175.10 173.13 3bpf s ALA 151 N -1.98 4.19 0.57 1.54 0.00 0.63 -2.30 121.76 124.41 3bpf s ALA 151 Ca -0.08 -3.44 -0.17 0.00 0.00 0.00 0.00 51.96 48.28 3bpf s ALA 151 Cb -0.01 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 3bpf s ALA 151 CO 0.02 -2.49 1.05 0.14 0.00 0.00 0.00 175.76 174.48 3bpf s VAL 152 N 0.42 3.80 0.53 0.00 -7.23 -1.26 -1.55 120.40 115.11 3bpf s VAL 152 Ca 0.32 0.90 0.05 0.00 -1.81 0.00 0.00 61.98 61.44 3bpf s VAL 152 Cb -0.07 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.50 3bpf s VAL 152 CO -0.06 -0.46 0.35 -0.44 -0.31 0.00 0.00 175.10 174.18 3bpf s SER 153 N -2.63 4.58 0.51 4.85 0.01 -1.26 -3.57 113.70 116.19 3bpf s SER 153 Ca 0.64 -1.26 0.24 0.00 1.31 0.00 0.00 55.95 56.88 3bpf s SER 153 Cb -0.16 0.35 1.36 0.00 0.21 0.00 0.00 66.02 67.77 3bpf s SER 153 CO 0.34 -1.03 2.06 0.44 0.41 0.00 0.00 173.24 175.46 3bpf h ASP 154 N 0.86 0.00 -0.22 2.44 3.32 -1.94 -2.85 116.42 118.03 3bpf h ASP 154 Ca -0.38 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.70 3bpf h ASP 154 Cb 1.30 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 3bpf h ASP 154 CO 0.60 0.13 -0.49 0.44 -1.72 0.00 0.00 179.24 178.19 3bpf h ASP 155 N 0.00 -1.60 -0.87 6.45 5.19 -1.94 -2.86 116.42 120.80 3bpf h ASP 155 Ca -0.00 0.20 0.30 0.00 -0.62 0.00 0.00 57.03 56.91 3bpf h ASP 155 Cb 0.31 0.63 -0.16 0.00 0.18 0.00 0.00 39.33 40.30 3bpf h ASP 155 CO 0.02 -0.40 0.24 0.49 -3.12 0.00 0.00 179.24 176.46 3bpf n PHE 156 N -5.11 0.78 -0.30 4.55 3.01 -1.07 0.10 117.46 119.42 3bpf n PHE 156 Ca -0.05 1.03 0.13 0.00 1.01 0.00 0.00 57.45 59.58 3bpf n PHE 156 Cb 0.32 -1.29 0.28 0.00 -0.01 0.00 0.00 39.48 38.79 3bpf n PHE 156 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3bpf h ALA 157 N 1.73 1.20 -0.00 4.37 0.00 -1.66 -1.36 119.26 123.54 3bpf h ALA 157 Ca 0.63 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.80 3bpf h ALA 157 Cb 1.50 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3bpf h ALA 157 CO -0.74 -0.51 -0.04 1.19 0.00 0.00 0.00 179.25 179.14 3bpf n PHE 158 N -5.33 0.00 -1.80 0.00 3.72 0.29 -4.92 117.46 109.42 3bpf n PHE 158 Ca 0.21 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.23 3bpf n PHE 158 Cb 0.70 -0.15 0.04 0.00 -0.94 0.00 0.00 39.48 39.13 3bpf n PHE 158 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3bpf s TYR 159 N -2.33 2.27 0.00 1.38 5.04 -0.51 -4.91 117.35 118.29 3bpf s TYR 159 Ca 0.35 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 3bpf s TYR 159 Cb 0.21 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.75 3bpf s TYR 159 CO 0.43 -2.85 0.28 0.36 -1.34 0.00 0.00 175.55 172.42 3bpf n LYS 160 N -1.14 0.00 0.00 4.97 2.85 -1.26 -3.79 118.16 119.79 3bpf n LYS 160 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 3bpf n LYS 160 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 3bpf n LYS 160 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3bpf n GLU 161 N 0.00 3.80 -4.39 -1.58 0.28 -1.26 -4.60 120.64 112.89 3bpf n GLU 161 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 3bpf n GLU 161 Cb 0.32 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.08 3bpf n GLU 161 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3bpf s GLY 162 N -0.20 1.71 0.39 -1.84 0.00 -1.26 -4.60 107.32 101.52 3bpf s GLY 162 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3bpf s GLY 162 CO 0.00 -1.15 0.00 4.51 0.00 0.00 0.00 173.10 176.46 3bpf n ILE 163 N 1.08 -1.54 -3.69 0.90 3.06 -1.26 -5.02 119.36 112.89 3bpf n ILE 163 Ca -0.15 0.86 -0.12 0.00 -2.50 0.00 0.00 62.75 60.84 3bpf n ILE 163 Cb 0.52 -1.40 -0.09 0.00 0.54 0.00 0.00 39.64 39.21 3bpf n ILE 163 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 3bpf s PHE 164 N -4.84 -0.64 -0.34 9.51 2.19 -0.01 -4.87 117.98 118.99 3bpf s PHE 164 Ca 0.00 1.44 0.15 0.00 0.33 0.00 0.00 56.93 58.85 3bpf s PHE 164 Cb 0.00 0.27 0.44 0.00 -1.31 0.00 0.00 43.02 42.41 3bpf s PHE 164 CO 0.00 -0.32 1.27 -0.40 1.83 0.00 0.00 175.22 177.60 3bpf n ASP 165 N 3.38 -0.34 -2.99 6.13 3.85 -1.26 -0.72 116.55 124.60 3bpf n ASP 165 Ca -0.17 -2.36 -0.15 0.00 -0.71 0.00 0.00 54.79 51.41 3bpf n ASP 165 Cb 0.56 0.28 0.11 0.00 -1.35 0.00 0.00 41.12 40.73 3bpf n ASP 165 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bpf n GLY 166 N -0.75 -1.94 3.58 6.12 0.00 -1.26 -5.05 105.19 105.89 3bpf n GLY 166 Ca -0.03 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3bpf n GLY 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bpf s GLU 167 N -4.36 -0.15 0.50 1.61 -1.05 -1.26 -4.94 118.70 109.06 3bpf s GLU 167 Ca 0.37 0.80 0.05 0.00 -0.15 0.00 0.00 54.97 56.04 3bpf s GLU 167 Cb -0.02 -1.65 0.01 0.00 -0.44 0.00 0.00 34.13 32.03 3bpf s GLU 167 CO 0.27 -3.19 0.27 0.00 0.95 0.00 0.00 175.26 173.56 3bpf s GLY 169 N -4.11 1.92 0.35 0.00 0.00 -0.60 -4.68 107.32 100.20 3bpf s GLY 169 Ca 0.30 -0.64 0.17 0.00 0.00 0.00 0.00 44.72 44.55 3bpf s GLY 169 CO 0.18 -0.56 1.64 -0.55 0.00 0.00 0.00 173.10 173.81 3bpf h ASP 170 N 2.04 0.45 -5.09 1.64 3.45 -1.91 -3.42 116.42 113.59 3bpf h ASP 170 Ca -0.47 0.21 0.01 0.00 0.43 0.00 0.00 57.03 57.20 3bpf h ASP 170 Cb 1.18 0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 40.07 3bpf h ASP 170 CO 0.68 -0.22 0.13 0.00 -1.57 0.00 0.00 179.24 178.26 3bpf s GLN 171 N -5.61 1.79 0.14 3.56 -2.07 -1.26 -5.14 119.66 111.08 3bpf s GLN 171 Ca -0.10 -1.15 -0.31 0.00 -1.82 0.00 0.00 55.36 51.98 3bpf s GLN 171 Cb 0.31 0.57 -0.11 0.00 -1.09 0.00 0.00 33.01 32.69 3bpf s GLN 171 CO 0.79 -0.80 1.82 -0.51 -1.32 0.00 0.00 175.29 175.26 3bpf s LEU 172 N -2.98 4.40 -0.09 2.60 1.43 -1.26 -4.61 118.68 118.16 3bpf s LEU 172 Ca 0.15 2.80 0.18 0.00 -1.03 0.00 0.00 54.13 56.23 3bpf s LEU 172 Cb -0.04 -3.57 0.34 0.00 0.03 0.00 0.00 46.19 42.95 3bpf s LEU 172 CO 0.09 -1.00 1.16 -0.46 0.23 0.00 0.00 176.35 176.36 3bpf n ASN 173 N 5.35 0.37 -3.64 2.29 6.94 -0.97 -4.90 115.26 120.69 3bpf n ASN 173 Ca 0.17 -2.03 -0.05 0.00 -0.02 0.00 0.00 54.58 52.65 3bpf n ASN 173 Cb 0.37 -0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 37.64 3bpf n ASN 173 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3bpf s HIS 174 N -0.78 -0.48 -0.15 -2.53 5.04 -1.11 -4.92 115.29 110.36 3bpf s HIS 174 Ca 0.22 1.06 -0.09 0.00 -1.54 0.00 0.00 55.06 54.70 3bpf s HIS 174 Cb 0.29 0.36 -0.05 0.00 0.04 0.00 0.00 32.58 33.22 3bpf s HIS 174 CO -0.10 -0.24 0.17 0.00 -2.34 0.00 0.00 174.74 172.23 3bpf s ALA 175 N 0.73 3.76 0.36 1.58 0.00 -1.26 -0.51 121.76 126.41 3bpf s ALA 175 Ca -0.02 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.39 3bpf s ALA 175 Cb -0.04 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3bpf s ALA 175 CO -0.11 0.36 0.26 0.14 0.00 0.00 0.00 175.76 176.41 3bpf s VAL 176 N -0.27 0.09 -0.15 0.00 -7.23 -0.07 -4.67 120.40 108.11 3bpf s VAL 176 Ca 0.13 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.27 3bpf s VAL 176 Cb -0.12 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3bpf s VAL 176 CO 0.02 0.00 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.70 3bpf s MET 177 N -3.45 3.58 -0.56 4.82 -1.94 -0.13 -1.59 119.30 120.04 3bpf s MET 177 Ca 0.37 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.56 3bpf s MET 177 Cb 0.02 -2.83 0.05 0.00 2.01 0.00 0.00 34.83 34.08 3bpf s MET 177 CO 0.26 0.23 0.86 -1.17 -0.01 0.00 0.00 175.02 175.19 3bpf s LEU 178 N 0.37 4.40 0.00 -0.03 2.96 0.16 0.84 118.68 127.38 3bpf s LEU 178 Ca -0.06 -0.64 0.15 0.00 -0.22 0.00 0.00 54.13 53.36 3bpf s LEU 178 Cb -0.15 -2.64 0.41 0.00 0.50 0.00 0.00 46.19 44.31 3bpf s LEU 178 CO 0.04 -1.18 1.33 1.33 -1.32 0.00 0.00 176.35 176.54 3bpf n VAL 179 N 5.98 0.89 -2.24 1.68 0.24 -0.17 -1.27 118.33 123.45 3bpf n VAL 179 Ca -0.02 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 3bpf n VAL 179 Cb 0.46 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.95 -0.16 3.53 7.63 0.00 -1.13 -2.42 105.19 113.59 3bpf n GLY 180 Ca 0.16 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.72 -0.25 0.36 1.61 -0.12 0.13 0.33 117.98 117.31 3bpf s PHE 181 Ca 0.00 -0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.67 3bpf s PHE 181 Cb 0.00 0.48 0.04 0.00 -0.63 0.00 0.00 43.02 42.90 3bpf s PHE 181 CO 0.00 -0.93 0.72 0.20 -0.05 0.00 0.00 175.22 175.16 3bpf s GLY 182 N -2.84 0.49 0.03 1.99 0.00 -0.04 -1.00 107.32 105.95 3bpf s GLY 182 Ca 0.07 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3bpf s GLY 182 CO -0.05 -0.40 -0.07 -0.29 0.00 0.00 0.00 173.10 172.29 3bpf s MET 183 N -2.74 0.48 -0.18 2.90 0.00 -1.21 -1.17 119.30 117.38 3bpf s MET 183 Ca 0.18 -0.66 -0.07 0.00 0.00 0.00 0.00 55.69 55.14 3bpf s MET 183 Cb -0.04 -0.25 0.07 0.00 0.00 0.00 0.00 34.83 34.61 3bpf s MET 183 CO 0.12 0.04 0.39 0.21 0.00 0.00 0.00 175.02 175.78 3bpf s LYS 184 N -1.36 0.32 -0.77 4.11 2.20 -0.88 -4.99 119.74 118.36 3bpf s LYS 184 Ca -0.09 0.89 -0.26 0.00 -0.36 0.00 0.00 55.97 56.15 3bpf s LYS 184 Cb -0.09 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 3bpf s LYS 184 CO 0.00 -0.22 1.60 -2.00 -0.36 0.00 0.00 175.35 174.37 3bpf s GLU 185 N 2.13 2.98 -0.21 4.03 2.12 -1.26 -2.76 118.70 125.73 3bpf s GLU 185 Ca -0.04 -0.13 -0.10 0.00 0.36 0.00 0.00 54.97 55.05 3bpf s GLU 185 Cb -0.11 -4.59 -0.05 0.00 0.26 0.00 0.00 34.13 29.65 3bpf s GLU 185 CO -0.12 -2.54 0.14 0.42 -0.54 0.00 0.00 175.26 172.62 3bpf s ILE 186 N 7.34 5.34 -0.04 -3.70 1.01 -1.13 -4.85 121.20 125.16 3bpf s ILE 186 Ca 0.52 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 3bpf s ILE 186 Cb -0.08 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3bpf s ILE 186 CO 0.10 0.41 0.75 -0.69 0.00 0.00 0.00 174.94 175.51 3bpf s VAL 187 N 0.63 4.97 0.11 2.92 1.01 -1.26 -2.57 120.40 126.21 3bpf s VAL 187 Ca 0.07 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.30 3bpf s VAL 187 Cb -0.12 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3bpf s VAL 187 CO 0.01 0.26 1.52 0.21 0.00 0.00 0.00 175.10 177.09 3bpf s ASN 188 N 0.69 6.69 0.18 3.32 3.84 -1.20 -4.92 114.94 123.54 3bpf s ASN 188 Ca 0.40 2.46 -0.10 0.00 0.21 0.00 0.00 52.86 55.82 3bpf s ASN 188 Cb -0.19 -2.58 0.10 0.00 -0.55 0.00 0.00 41.25 38.03 3bpf s ASN 188 CO 0.20 -0.78 1.73 1.55 -2.79 0.00 0.00 177.10 177.01 3bpf h PRO 189 N 7.21 1.01 0.00 0.43 0.13 -1.95 -3.33 132.00 135.50 3bpf h PRO 189 Ca -0.42 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3bpf h PRO 189 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3bpf h PRO 189 CO 0.90 0.87 0.00 1.28 -0.23 0.00 0.00 178.00 180.82 3bpf n LEU 190 N -4.37 1.45 -4.56 1.56 4.77 -1.26 -4.53 117.00 110.07 3bpf n LEU 190 Ca 0.04 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 56.02 3bpf n LEU 190 Cb 0.20 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3bpf n LEU 190 CO 0.40 -0.13 1.39 0.42 -1.33 0.00 0.00 177.39 178.15 3bpf s THR 191 N -0.69 3.57 -0.80 -5.08 -4.23 -1.25 -4.85 115.64 102.31 3bpf s THR 191 Ca 0.00 -0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 59.79 3bpf s THR 191 Cb 0.00 -4.29 -0.18 0.00 1.34 0.00 0.00 72.50 69.37 3bpf s THR 191 CO 0.00 -1.18 1.93 0.29 -0.54 0.00 0.00 174.62 175.12 3bpf n LYS 192 N 8.82 0.14 -3.51 3.99 5.02 -1.25 -4.26 118.16 127.11 3bpf n LYS 192 Ca 0.39 -1.09 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 3bpf n LYS 192 Cb 0.48 -3.09 -0.05 0.00 -0.02 0.00 0.00 35.03 32.35 3bpf n LYS 192 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3bpf s LYS 193 N 7.77 0.30 0.81 1.97 2.20 -1.26 -5.03 119.74 126.50 3bpf s LYS 193 Ca 0.70 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.82 3bpf s LYS 193 Cb -0.11 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 3bpf s LYS 193 CO 0.16 -0.08 1.17 0.20 -0.36 0.00 0.00 175.35 176.43 3bpf s GLY 194 N 1.88 1.99 -0.04 5.54 0.00 -1.26 -3.24 107.32 112.18 3bpf s GLY 194 Ca -0.06 0.69 -0.06 0.00 0.00 0.00 0.00 44.72 45.29 3bpf s GLY 194 CO -0.16 1.09 0.16 -0.54 0.00 0.00 0.00 173.10 173.66 3bpf s GLU 195 N -4.34 0.29 -0.62 2.90 2.02 -1.06 -4.90 118.70 112.98 3bpf s GLU 195 Ca 0.70 0.05 -0.28 0.00 0.02 0.00 0.00 54.97 55.45 3bpf s GLU 195 Cb -0.25 0.13 0.03 0.00 0.10 0.00 0.00 34.13 34.14 3bpf s GLU 195 CO 0.52 -0.05 1.25 0.15 0.02 0.00 0.00 175.26 177.14 3bpf s LYS 196 N -0.36 3.39 -0.51 1.61 1.02 -1.26 -2.85 119.74 120.78 3bpf s LYS 196 Ca -0.05 0.13 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 3bpf s LYS 196 Cb -0.03 -4.08 0.07 0.00 -0.52 0.00 0.00 37.83 33.27 3bpf s LYS 196 CO 0.01 -1.85 0.59 -1.01 -0.92 0.00 0.00 175.35 172.16 3bpf s HIS 197 N 5.33 3.08 0.45 3.18 3.76 -1.11 -4.96 115.29 125.02 3bpf s HIS 197 Ca 0.42 -0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 3bpf s HIS 197 Cb -0.08 -3.55 -0.06 0.00 1.11 0.00 0.00 32.58 30.00 3bpf s HIS 197 CO 0.22 -1.03 0.82 0.71 -0.85 0.00 0.00 174.74 174.62 3bpf s TYR 198 N 2.42 3.49 0.03 1.40 1.51 -1.25 -2.08 117.35 122.88 3bpf s TYR 198 Ca 0.12 1.09 -0.28 0.00 -1.01 0.00 0.00 57.07 57.00 3bpf s TYR 198 Cb -0.21 -2.49 0.09 0.00 -0.11 0.00 0.00 41.96 39.24 3bpf s TYR 198 CO 0.10 -0.21 0.85 1.52 -1.11 0.00 0.00 175.55 176.69 3bpf s TYR 199 N -2.52 -0.36 -0.04 2.71 -0.85 -0.32 -1.31 117.35 114.66 3bpf s TYR 199 Ca 0.52 0.20 -0.02 0.00 -0.52 0.00 0.00 57.07 57.25 3bpf s TYR 199 Cb -0.10 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 3bpf s TYR 199 CO 0.35 -0.61 0.09 0.71 -1.52 0.00 0.00 175.55 174.56 3bpf s TYR 200 N -3.23 3.35 -0.54 -3.49 2.02 0.17 -0.86 117.35 114.75 3bpf s TYR 200 Ca 0.05 0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.85 3bpf s TYR 200 Cb -0.01 -1.79 0.10 0.00 -0.40 0.00 0.00 41.96 39.86 3bpf s TYR 200 CO -0.09 0.58 0.57 0.42 -1.57 0.00 0.00 175.55 175.47 3bpf s ILE 201 N -1.13 5.03 0.13 2.71 1.01 0.15 -1.82 121.20 127.29 3bpf s ILE 201 Ca 0.20 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3bpf s ILE 201 Cb -0.12 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 3bpf s ILE 201 CO 0.11 -0.91 0.42 -0.63 0.00 0.00 0.00 174.94 173.93 3bpf s ILE 202 N 2.12 5.08 -0.27 2.92 1.01 0.31 -1.00 121.20 131.37 3bpf s ILE 202 Ca 0.08 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 3bpf s ILE 202 Cb -0.26 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3bpf s ILE 202 CO 0.06 0.13 0.05 -0.75 0.00 0.00 0.00 174.94 174.43 3bpf s LYS 203 N -2.34 3.19 0.45 2.79 2.20 0.25 -1.56 119.74 124.72 3bpf s LYS 203 Ca 0.39 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 3bpf s LYS 203 Cb -0.13 -3.27 0.09 0.00 -1.51 0.00 0.00 37.83 33.01 3bpf s LYS 203 CO 0.21 -0.36 0.62 -1.71 -0.36 0.00 0.00 175.35 173.75 3bpf n ASN 204 N 4.84 0.73 -2.53 1.43 5.15 -1.03 -0.95 115.26 122.91 3bpf n ASN 204 Ca -0.16 -1.64 -0.11 0.00 -0.60 0.00 0.00 54.58 52.07 3bpf n ASN 204 Cb 0.49 -0.41 0.03 0.00 -0.53 0.00 0.00 39.78 39.36 3bpf n ASN 204 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3bpf n SER 205 N -3.00 2.90 -0.70 1.20 3.41 -1.26 -4.69 113.62 111.47 3bpf n SER 205 Ca 0.10 -2.82 0.04 0.00 -0.26 0.00 0.00 58.87 55.92 3bpf n SER 205 Cb 0.35 -0.44 0.20 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 -0.54 0.28 -0.17 7.33 8.01 -1.22 -1.04 117.44 130.09 3bpf n TRP 206 Ca 0.22 -1.48 0.02 0.00 -1.31 0.00 0.00 57.50 54.95 3bpf n TRP 206 Cb 0.84 -0.30 -0.01 0.00 -2.01 0.00 0.00 31.31 29.83 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 -1.13 -2.07 0.18 6.99 0.00 -0.45 -4.37 105.19 104.34 3bpf n GLY 207 Ca 0.22 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.86 3bpf n GLY 207 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bpf h GLN 208 N -0.17 0.00 -0.67 1.61 4.20 -1.85 -3.15 115.11 115.09 3bpf h GLN 208 Ca -0.01 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.84 3bpf h GLN 208 Cb 0.16 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.83 3bpf h GLN 208 CO 0.01 0.30 -0.02 1.96 -0.67 0.00 0.00 178.83 180.41 3bpf h GLN 209 N 0.00 0.09 -6.95 1.46 7.50 -1.93 -2.98 115.11 112.30 3bpf h GLN 209 Ca -0.00 -0.01 -0.47 0.00 0.50 0.00 0.00 58.65 58.67 3bpf h GLN 209 Cb 1.10 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.61 3bpf h GLN 209 CO 0.04 0.06 0.39 -0.46 -1.50 0.00 0.00 178.83 177.36 3bpf s TRP 210 N -6.15 3.38 0.00 2.96 -0.00 -1.19 -4.78 118.94 113.16 3bpf s TRP 210 Ca -0.14 1.67 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 3bpf s TRP 210 Cb 0.20 -3.04 0.00 0.00 -0.00 0.00 0.00 33.47 30.63 3bpf s TRP 210 CO 0.74 -0.36 0.00 0.41 -0.00 0.00 0.00 176.95 177.75 3bpf n GLY 211 N 0.28 0.92 2.92 5.86 0.00 -1.25 0.10 105.19 114.03 3bpf n GLY 211 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3bpf n GLY 211 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bpf n GLU 212 N 0.00 2.82 -3.21 1.61 1.02 0.69 -4.15 120.64 119.42 3bpf n GLU 212 Ca 0.00 -2.68 -0.15 0.00 -0.02 0.00 0.00 57.16 54.31 3bpf n GLU 212 Cb 0.00 -3.31 0.07 0.00 -0.02 0.00 0.00 31.44 28.18 3bpf n GLU 212 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3bpf n ARG 213 N 6.61 -3.39 0.00 3.49 0.63 -1.24 -2.98 116.66 119.78 3bpf n ARG 213 Ca 0.51 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 58.26 3bpf n ARG 213 Cb 0.40 -5.61 0.00 0.00 0.45 0.00 0.00 32.46 27.70 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 -1.21 2.90 3.89 5.14 0.00 0.28 -4.75 105.19 111.44 3bpf n GLY 214 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.17 3.54 0.12 1.61 0.40 -1.16 -2.45 117.98 117.87 3bpf s PHE 215 Ca 0.00 0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.91 3bpf s PHE 215 Cb 0.00 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3bpf s PHE 215 CO 0.00 0.57 -0.18 -1.50 0.70 0.00 0.00 175.22 174.80 3bpf s ILE 216 N -1.42 1.61 -0.23 0.64 2.07 -0.60 -0.23 121.20 123.05 3bpf s ILE 216 Ca 0.32 -1.63 0.01 0.00 -1.41 0.00 0.00 60.65 57.94 3bpf s ILE 216 Cb -0.13 -1.56 0.03 0.00 0.13 0.00 0.00 42.46 40.94 3bpf s ILE 216 CO 0.20 -0.19 -0.13 0.20 -1.91 0.00 0.00 174.94 173.11 3bpf s ASN 217 N -2.15 3.91 -0.10 4.50 -0.87 -1.26 -0.53 114.94 118.44 3bpf s ASN 217 Ca 0.08 -0.96 -0.08 0.00 -1.57 0.00 0.00 52.86 50.34 3bpf s ASN 217 Cb -0.08 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.25 39.55 3bpf s ASN 217 CO 0.04 -0.10 0.17 -0.63 -2.57 0.00 0.00 177.10 174.01 3bpf s ILE 218 N 1.24 5.46 0.62 0.60 -1.09 -0.75 -0.83 121.20 126.44 3bpf s ILE 218 Ca -0.01 0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.50 3bpf s ILE 218 Cb -0.16 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 3bpf s ILE 218 CO -0.08 0.60 1.10 -0.70 -1.23 0.00 0.00 174.94 174.63 3bpf s GLU 219 N -1.08 3.04 0.00 2.79 2.12 0.10 0.42 118.70 126.08 3bpf s GLU 219 Ca 0.17 1.38 0.00 0.00 0.36 0.00 0.00 54.97 56.88 3bpf s GLU 219 Cb -0.12 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.28 3bpf s GLU 219 CO 0.06 -1.06 0.00 -2.37 -0.54 0.00 0.00 175.26 171.35 3bpf n THR 220 N -2.10 0.00 -4.24 -1.70 5.66 -0.43 -4.52 114.28 106.95 3bpf n THR 220 Ca 0.10 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.95 3bpf n THR 220 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 3bpf n THR 220 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3bpf n ASP 221 N -1.36 2.52 -0.08 1.09 5.75 -1.26 -3.80 116.55 119.40 3bpf n ASP 221 Ca 0.00 -2.04 -0.11 0.00 -0.01 0.00 0.00 54.79 52.63 3bpf n ASP 221 Cb 0.00 0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.18 3bpf n ASP 221 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3bpf h GLU 222 N 0.00 0.43 -0.61 0.11 4.81 -1.95 -2.92 114.58 114.44 3bpf h GLU 222 Ca -0.20 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 3bpf h GLU 222 Cb 0.61 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3bpf h GLU 222 CO 0.32 0.63 0.22 0.66 -0.73 0.00 0.00 179.01 180.11 3bpf h SER 223 N 0.19 0.83 0.00 1.04 4.64 -1.98 -3.45 113.55 114.82 3bpf h SER 223 Ca 0.06 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3bpf h SER 223 Cb 0.45 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3bpf h SER 223 CO 0.02 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 3bpf n GLY 224 N -0.97 0.51 0.15 -0.77 0.00 -1.10 -4.77 105.19 98.24 3bpf n GLY 224 Ca 0.05 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -9.00 0.99 3.38 -1.90 -3.44 115.31 105.34 3bpf h LEU 225 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3bpf h LEU 225 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3bpf h LEU 225 CO 0.00 0.01 1.14 -0.32 0.09 0.00 0.00 178.44 179.36 3bpf s MET 226 N -3.16 3.73 -0.59 1.13 1.75 -1.26 -4.96 119.30 115.94 3bpf s MET 226 Ca 0.08 1.59 0.04 0.00 -1.25 0.00 0.00 55.69 56.15 3bpf s MET 226 Cb 0.09 -4.05 0.16 0.00 2.84 0.00 0.00 34.83 33.86 3bpf s MET 226 CO 0.64 -1.38 0.39 1.03 -0.65 0.00 0.00 175.02 175.05 3bpf s ARG 227 N 4.80 2.00 0.54 4.11 0.52 -1.26 -4.68 118.95 124.98 3bpf s ARG 227 Ca 0.72 -2.84 -0.21 0.00 -0.52 0.00 0.00 55.73 52.88 3bpf s ARG 227 Cb -0.24 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 3bpf s ARG 227 CO 0.30 -1.24 1.23 0.15 0.02 0.00 0.00 175.30 175.76 3bpf s LYS 228 N -0.75 3.28 -1.18 3.54 -0.14 -1.26 -1.93 119.74 121.29 3bpf s LYS 228 Ca 0.23 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.75 3bpf s LYS 228 Cb -0.11 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.87 3bpf s LYS 228 CO -0.11 -0.98 0.00 0.00 -0.76 0.00 0.00 175.35 173.50 3bpf n GLY 230 N -0.44 -0.51 3.55 0.00 0.00 -0.81 -0.27 105.19 106.70 3bpf n GLY 230 Ca -0.13 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3bpf n GLY 230 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3bpf n LEU 231 N -3.51 1.44 0.00 0.99 -0.00 0.10 -2.41 117.00 113.61 3bpf n LEU 231 Ca -0.14 -1.08 0.00 0.00 -0.00 0.00 0.00 56.01 54.79 3bpf n LEU 231 Cb 0.63 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 3bpf n LEU 231 CO 0.38 -2.16 0.00 0.61 -0.00 0.00 0.00 177.39 176.21 3bpf n GLY 232 N 6.45 1.97 0.26 1.47 0.00 -1.00 -4.84 105.19 109.50 3bpf n GLY 232 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 3bpf n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bpf h THR 233 N 0.00 0.00 -2.80 2.61 1.35 -1.70 -3.38 112.91 108.98 3bpf h THR 233 Ca 0.00 -0.25 -0.55 0.00 -0.55 0.00 0.00 66.41 65.06 3bpf h THR 233 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 3bpf h THR 233 CO 0.00 0.00 0.94 -1.81 -0.25 0.00 0.00 175.52 174.40 3bpf s ASP 234 N -3.91 6.81 -0.28 5.36 1.01 -1.26 -4.71 116.67 119.69 3bpf s ASP 234 Ca -0.09 2.06 -0.03 0.00 0.71 0.00 0.00 52.55 55.19 3bpf s ASP 234 Cb 0.01 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.55 3bpf s ASP 234 CO 0.28 -0.80 0.54 0.00 0.21 0.00 0.00 175.17 175.39 3bpf s ALA 235 N 3.22 -1.84 0.01 5.23 0.00 -1.26 -2.30 121.76 124.82 3bpf s ALA 235 Ca 0.65 1.65 0.04 0.00 0.00 0.00 0.00 51.96 54.30 3bpf s ALA 235 Cb -0.30 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 3bpf s ALA 235 CO 0.25 -1.21 -0.13 -0.06 0.00 0.00 0.00 175.76 174.60 3bpf s PHE 236 N 2.77 1.16 -0.13 0.00 0.40 0.18 0.41 117.98 122.78 3bpf s PHE 236 Ca 0.13 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 3bpf s PHE 236 Cb -0.14 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.67 3bpf s PHE 236 CO -0.19 0.00 -0.22 0.42 0.70 0.00 0.00 175.22 175.93 3bpf s ILE 237 N -0.55 2.05 0.56 0.64 1.01 -0.99 -0.57 121.20 123.35 3bpf s ILE 237 Ca 0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3bpf s ILE 237 Cb -0.06 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3bpf s ILE 237 CO 0.00 0.55 1.03 -2.16 0.00 0.00 0.00 174.94 174.37 3bpf s PRO 238 N 0.67 3.55 -0.20 2.79 0.04 -1.26 -1.87 135.00 138.72 3bpf s PRO 238 Ca -0.11 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.09 3bpf s PRO 238 Cb -0.16 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.33 3bpf s PRO 238 CO 0.01 -0.61 -0.17 -0.51 0.04 0.00 0.00 177.00 175.76 3bpf s LEU 239 N -4.27 2.42 0.13 -3.56 1.02 0.23 -4.92 118.68 109.72 3bpf s LEU 239 Ca 0.63 -0.77 0.24 0.00 0.02 0.00 0.00 54.13 54.25 3bpf s LEU 239 Cb -0.14 -1.51 0.26 0.00 0.02 0.00 0.00 46.19 44.82 3bpf s LEU 239 CO 0.33 -0.04 1.25 0.16 0.02 0.00 0.00 176.35 178.08 3bpf h ILE 240 N 6.07 0.00 -0.01 -0.59 3.07 -1.89 -1.59 117.51 122.56 3bpf h ILE 240 Ca -0.41 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.43 3bpf h ILE 240 Cb 1.12 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3bpf h ILE 240 CO 0.61 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.09