#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpf n MET 2 N 0.00 -1.87 -2.76 3.69 2.81 -1.26 -4.25 117.12 113.48 3bpf n MET 2 Ca 0.00 1.68 -0.35 0.00 -1.81 0.00 0.00 57.70 57.21 3bpf n MET 2 Cb 0.00 -2.00 -0.06 0.00 -0.71 0.00 0.00 33.22 30.44 3bpf n MET 2 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3bpf s ASN 3 N -0.21 7.11 0.27 7.83 4.22 -1.26 -4.47 114.94 128.43 3bpf s ASN 3 Ca 0.00 1.81 -0.02 0.00 -2.14 0.00 0.00 52.86 52.50 3bpf s ASN 3 Cb 0.00 -2.57 0.36 0.00 1.28 0.00 0.00 41.25 40.33 3bpf s ASN 3 CO 0.00 -0.24 1.83 0.22 -2.04 0.00 0.00 177.10 176.87 3bpf h TYR 4 N 2.60 0.94 -0.00 1.54 3.20 -1.95 -2.91 116.97 120.38 3bpf h TYR 4 Ca -0.48 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.24 3bpf h TYR 4 Cb 1.19 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3bpf h TYR 4 CO 0.61 0.75 -0.36 0.93 -1.64 0.00 0.00 178.16 178.45 3bpf h GLU 5 N 0.90 0.01 0.09 1.82 4.39 -1.93 0.39 114.58 120.25 3bpf h GLU 5 Ca 0.20 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.63 3bpf h GLU 5 Cb 0.24 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3bpf h GLU 5 CO -0.01 0.37 -1.29 0.93 -1.16 0.00 0.00 179.01 177.84 3bpf h GLU 6 N 0.01 0.20 -0.03 2.33 5.08 -1.94 -3.29 114.58 116.93 3bpf h GLU 6 Ca -0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3bpf h GLU 6 Cb 0.64 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3bpf h GLU 6 CO 0.05 1.12 -0.02 0.28 -1.00 0.00 0.00 179.01 179.43 3bpf h VAL 7 N 0.05 1.34 -0.75 3.13 2.07 -1.23 -3.31 116.25 117.55 3bpf h VAL 7 Ca -0.14 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.43 3bpf h VAL 7 Cb 1.95 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 33.63 3bpf h VAL 7 CO 0.17 0.28 0.49 -0.29 0.02 0.00 0.00 177.57 178.24 3bpf h ILE 8 N -0.33 0.94 0.00 4.57 6.09 -0.36 -2.58 117.51 125.84 3bpf h ILE 8 Ca 0.01 -0.23 -0.11 0.00 -1.37 0.00 0.00 64.86 63.16 3bpf h ILE 8 Cb 0.46 0.22 -0.02 0.00 0.47 0.00 0.00 36.82 37.96 3bpf h ILE 8 CO 0.01 0.12 -0.53 0.11 -3.07 0.00 0.00 178.15 174.79 3bpf h LYS 9 N 0.66 0.00 -0.20 2.19 1.57 -1.65 -1.96 116.57 117.18 3bpf h LYS 9 Ca 0.34 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.02 3bpf h LYS 9 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3bpf h LYS 9 CO -0.12 0.53 -0.34 0.87 -0.57 0.00 0.00 179.45 179.81 3bpf h LYS 10 N 0.00 0.42 0.00 3.15 1.57 -1.58 -1.86 116.57 118.27 3bpf h LYS 10 Ca -0.01 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3bpf h LYS 10 Cb 1.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3bpf h LYS 10 CO 0.07 0.71 -1.54 0.66 -0.57 0.00 0.00 179.45 178.77 3bpf n TYR 11 N -4.07 0.49 -0.05 -1.35 4.01 -1.16 -4.62 117.16 110.42 3bpf n TYR 11 Ca -0.01 0.15 -0.05 0.00 -0.16 0.00 0.00 57.90 57.83 3bpf n TYR 11 Cb 0.45 -0.76 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 3bpf n TYR 11 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3bpf n ARG 12 N -2.50 0.30 0.00 -0.72 0.63 -0.75 -4.95 116.66 108.67 3bpf n ARG 12 Ca -0.04 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3bpf n ARG 12 Cb 0.60 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.40 3bpf n ARG 12 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bpf n GLY 13 N 1.53 1.28 0.00 5.14 0.00 -0.70 -4.64 105.19 107.80 3bpf n GLY 13 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3bpf n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bpf n GLU 14 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -5.05 120.64 115.35 3bpf n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3bpf n GLU 14 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3bpf n GLU 14 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3bpf n GLU 15 N 0.00 0.00 -3.50 3.49 -0.58 -1.26 -4.88 120.64 113.92 3bpf n GLU 15 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3bpf n GLU 15 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3bpf n GLU 15 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3bpf s ASN 16 N 1.67 6.44 0.21 1.62 3.84 -1.26 -5.18 114.94 122.29 3bpf s ASN 16 Ca 0.00 0.61 -0.03 0.00 0.21 0.00 0.00 52.86 53.65 3bpf s ASN 16 Cb 0.00 -2.10 -0.05 0.00 -0.55 0.00 0.00 41.25 38.55 3bpf s ASN 16 CO 0.00 -0.11 0.42 0.72 -2.79 0.00 0.00 177.10 175.34 3bpf s PHE 17 N -1.95 3.48 -0.14 0.43 -0.71 -1.26 -5.07 117.98 112.75 3bpf s PHE 17 Ca 0.42 0.46 -0.22 0.00 -1.04 0.00 0.00 56.93 56.55 3bpf s PHE 17 Cb -0.11 -1.94 -0.03 0.00 -1.21 0.00 0.00 43.02 39.73 3bpf s PHE 17 CO 0.29 0.35 0.67 0.34 -1.34 0.00 0.00 175.22 175.52 3bpf s ASP 18 N -2.99 6.82 0.00 1.98 2.15 -1.26 -4.97 116.67 118.41 3bpf s ASP 18 Ca 0.40 1.00 0.17 0.00 0.43 0.00 0.00 52.55 54.55 3bpf s ASP 18 Cb -0.11 -2.38 0.52 0.00 -0.30 0.00 0.00 42.92 40.65 3bpf s ASP 18 CO 0.28 -0.22 1.41 1.41 -0.17 0.00 0.00 175.17 177.88 3bpf n HIS 19 N 4.54 0.43 -0.08 -5.34 8.25 -1.26 -4.20 115.22 117.55 3bpf n HIS 19 Ca -0.01 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.10 3bpf n HIS 19 Cb 0.50 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.52 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 3.94 0.10 -2.42 -1.41 0.00 -1.93 -3.45 119.26 114.09 3bpf h ALA 20 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 3bpf h ALA 20 Cb 0.57 0.33 -0.25 0.00 0.00 0.00 0.00 17.79 18.45 3bpf h ALA 20 CO 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 179.25 179.35 3bpf s ALA 21 N -2.38 -1.34 -0.09 0.00 0.00 -1.26 -3.21 121.76 113.48 3bpf s ALA 21 Ca -0.19 1.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.52 3bpf s ALA 21 Cb 0.01 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.99 3bpf s ALA 21 CO 0.50 -0.43 0.21 -0.47 0.00 0.00 0.00 175.76 175.57 3bpf s TYR 22 N 1.78 -0.26 -0.24 0.00 5.04 0.40 -4.95 117.35 119.12 3bpf s TYR 22 Ca -0.08 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 3bpf s TYR 22 Cb -0.08 0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.31 3bpf s TYR 22 CO -0.15 -0.19 -0.02 0.34 -1.34 0.00 0.00 175.55 174.19 3bpf s ASP 23 N 1.00 3.74 0.27 4.32 3.68 -1.26 -0.02 116.67 128.40 3bpf s ASP 23 Ca -0.07 -1.20 0.01 0.00 2.13 0.00 0.00 52.55 53.42 3bpf s ASP 23 Cb -0.09 -1.07 0.38 0.00 -1.45 0.00 0.00 42.92 40.69 3bpf s ASP 23 CO -0.06 -0.27 1.71 -0.50 0.13 0.00 0.00 175.17 176.18 3bpf h TRP 24 N 8.00 0.61 -0.73 -5.34 -0.00 -1.77 -2.91 115.95 113.82 3bpf h TRP 24 Ca -0.16 -0.12 0.16 0.00 -0.00 0.00 0.00 58.89 58.76 3bpf h TRP 24 Cb 1.07 -0.15 -0.12 0.00 -0.00 0.00 0.00 29.16 29.96 3bpf h TRP 24 CO 0.45 0.73 0.10 0.00 -0.00 0.00 0.00 178.44 179.71 3bpf h ARG 25 N 0.48 0.18 0.00 0.49 3.08 -1.89 0.25 114.38 116.97 3bpf h ARG 25 Ca 0.07 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3bpf h ARG 25 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3bpf h ARG 25 CO 0.05 0.12 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.86 3bpf h LEU 26 N 0.18 0.00 -4.47 3.04 3.38 -1.92 -3.24 115.31 112.29 3bpf h LEU 26 Ca 0.41 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.77 3bpf h LEU 26 Cb 0.71 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.06 3bpf h LEU 26 CO -0.57 0.13 -0.49 1.41 0.09 0.00 0.00 178.44 179.01 3bpf n HIS 27 N -3.24 3.28 -3.58 1.13 8.25 0.01 -4.96 115.22 116.11 3bpf n HIS 27 Ca 0.01 -2.91 -0.21 0.00 -0.26 0.00 0.00 57.72 54.34 3bpf n HIS 27 Cb 0.41 -0.27 0.07 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.52 -3.45 0.00 0.41 2.88 -1.10 -4.90 113.62 106.93 3bpf n SER 28 Ca 0.42 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 3bpf n SER 28 Cb 0.65 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 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 -1.53 -0.06 2.95 0.46 0.00 -0.79 -4.12 105.19 102.09 3bpf n GLY 29 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 0.85 0.32 1.61 1.01 -1.26 -4.51 120.40 118.41 3bpf s VAL 30 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3bpf s VAL 30 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3bpf s VAL 30 CO 0.00 0.30 0.50 0.42 0.00 0.00 0.00 175.10 176.32 3bpf s THR 31 N 0.94 5.06 0.80 3.92 -4.23 -1.26 -4.88 115.64 115.99 3bpf s THR 31 Ca -0.10 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.63 3bpf s THR 31 Cb -0.15 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.88 3bpf s THR 31 CO 0.00 -0.47 0.73 -2.65 -0.54 0.00 0.00 174.62 171.70 3bpf n PRO 32 N -1.69 0.16 -1.42 3.99 -0.02 -1.26 -4.95 135.00 129.81 3bpf n PRO 32 Ca -0.05 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 3bpf n PRO 32 Cb 0.57 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.08 3bpf n PRO 32 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bpf s VAL 33 N -2.07 3.51 0.45 -1.45 -7.23 -1.26 -5.07 120.40 107.28 3bpf s VAL 33 Ca 0.67 0.49 0.02 0.00 -1.81 0.00 0.00 61.98 61.35 3bpf s VAL 33 Cb -0.30 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 3bpf s VAL 33 CO 0.57 -0.64 0.08 0.29 -0.31 0.00 0.00 175.10 175.09 3bpf n LYS 34 N -3.39 0.68 -3.82 4.82 5.02 -1.26 -4.81 118.16 115.41 3bpf n LYS 34 Ca 0.08 -3.53 -0.28 0.00 -2.02 0.00 0.00 58.31 52.56 3bpf n LYS 34 Cb 0.54 1.45 -0.16 0.00 -0.02 0.00 0.00 35.03 36.83 3bpf n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bpf s ASP 35 N -3.61 3.14 0.00 4.39 3.68 -1.26 -1.55 116.67 121.46 3bpf s ASP 35 Ca 0.11 -0.88 0.18 0.00 2.13 0.00 0.00 52.55 54.09 3bpf s ASP 35 Cb 0.01 -0.80 1.03 0.00 -1.45 0.00 0.00 42.92 41.70 3bpf s ASP 35 CO 0.08 -0.27 1.51 0.00 0.13 0.00 0.00 175.17 176.62 3bpf n GLN 36 N 4.92 0.46 0.00 4.34 10.64 -0.16 -4.88 117.38 132.69 3bpf n GLN 36 Ca -0.10 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 3bpf n GLN 36 Cb 0.46 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 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 -1.10 0.00 -2.98 2.61 4.76 -1.26 -3.84 118.16 116.35 3bpf n LYS 37 Ca 0.12 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.15 3bpf n LYS 37 Cb 0.09 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.24 3bpf n LYS 37 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3bpf s ASN 38 N -4.00 6.91 0.00 4.39 2.47 -1.26 -4.91 114.94 118.54 3bpf s ASN 38 Ca 0.00 1.11 0.00 0.00 0.42 0.00 0.00 52.86 54.39 3bpf s ASN 38 Cb 0.00 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3bpf s ASN 38 CO 0.00 -0.29 0.00 0.00 -3.72 0.00 0.00 177.10 173.09 3bpf n GLY 40 N 0.00 2.31 2.53 0.00 0.00 -0.69 -4.57 105.19 104.77 3bpf n GLY 40 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 8.91 2.88 0.11 1.61 3.41 -1.26 -2.92 113.62 126.35 3bpf n SER 41 Ca 0.49 -2.83 -0.13 0.00 -0.26 0.00 0.00 58.87 56.13 3bpf n SER 41 Cb 0.42 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 3bpf n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bpf n TRP 43 N -5.10 0.67 -0.01 0.00 4.27 -1.26 0.11 117.44 116.12 3bpf n TRP 43 Ca -0.09 0.67 -0.17 0.00 -3.89 0.00 0.00 57.50 54.02 3bpf n TRP 43 Cb 0.20 -1.11 -0.09 0.00 -1.36 0.00 0.00 31.31 28.96 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 1.52 0.19 -0.01 -1.67 0.00 -1.83 -2.56 119.26 114.91 3bpf h ALA 44 Ca 0.85 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 3bpf h ALA 44 Cb 2.74 0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.55 3bpf h ALA 44 CO -0.44 0.50 -0.59 0.74 0.00 0.00 0.00 179.25 179.46 3bpf h PHE 45 N 0.23 0.62 -0.69 0.00 -1.00 0.12 -2.44 116.94 113.78 3bpf h PHE 45 Ca -0.06 -0.33 0.02 0.00 2.81 0.00 0.00 57.97 60.41 3bpf h PHE 45 Cb 1.34 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.79 3bpf h PHE 45 CO 0.11 1.14 0.45 1.03 -1.61 0.00 0.00 178.31 179.43 3bpf h SER 46 N -0.08 0.76 0.65 2.17 0.87 -0.00 -0.22 113.55 117.69 3bpf h SER 46 Ca -0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3bpf h SER 46 Cb 1.29 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 3bpf h SER 46 CO 0.12 0.54 -0.31 0.77 -0.53 0.00 0.00 176.83 177.41 3bpf h SER 47 N 0.90 -0.73 0.24 6.23 4.64 -1.53 -3.20 113.55 120.10 3bpf h SER 47 Ca 0.27 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3bpf h SER 47 Cb -0.05 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3bpf h SER 47 CO -0.08 -0.40 -0.04 0.40 -0.87 0.00 0.00 176.83 175.84 3bpf h ILE 48 N -1.11 0.29 0.85 0.95 2.04 -1.34 -1.85 117.51 117.33 3bpf h ILE 48 Ca -0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3bpf h ILE 48 Cb 0.67 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3bpf h ILE 48 CO 0.15 0.04 -0.46 1.23 0.00 0.00 0.00 178.15 179.10 3bpf h GLY 49 N 0.52 -1.30 0.19 5.37 0.00 -1.08 -1.27 103.07 105.50 3bpf h GLY 49 Ca -0.00 0.50 0.20 0.00 0.00 0.00 0.00 47.33 48.03 3bpf h GLY 49 CO 0.00 -0.46 0.61 1.76 0.00 0.00 0.00 176.54 178.46 3bpf h SER 50 N -1.21 0.61 -0.19 0.19 0.02 -1.33 0.14 113.55 111.78 3bpf h SER 50 Ca -0.12 0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.71 3bpf h SER 50 Cb 0.95 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.46 3bpf h SER 50 CO 0.16 0.22 -0.65 1.62 -1.14 0.00 0.00 176.83 177.04 3bpf h VAL 51 N 0.60 1.29 -0.97 2.27 3.04 -1.46 -2.53 116.25 118.49 3bpf h VAL 51 Ca 0.53 -1.86 0.12 0.00 -1.01 0.00 0.00 66.70 64.49 3bpf h VAL 51 Cb 1.05 1.90 -0.09 0.00 -2.01 0.00 0.00 31.29 32.14 3bpf h VAL 51 CO -0.28 0.59 0.59 -0.33 -1.01 0.00 0.00 177.57 177.13 3bpf h GLU 52 N 0.51 0.90 -0.27 4.17 5.08 0.44 -1.70 114.58 123.70 3bpf h GLU 52 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3bpf h GLU 52 Cb 1.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3bpf h GLU 52 CO 0.14 0.59 0.12 0.77 -1.00 0.00 0.00 179.01 179.63 3bpf h SER 53 N 0.92 0.37 -0.92 1.42 0.02 -1.12 -1.99 113.55 112.26 3bpf h SER 53 Ca 0.49 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3bpf h SER 53 Cb 0.51 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3bpf h SER 53 CO -0.28 0.41 0.56 1.56 -1.14 0.00 0.00 176.83 177.94 3bpf h GLN 54 N 0.30 1.25 0.00 3.45 1.08 -0.89 0.93 115.11 121.23 3bpf h GLN 54 Ca 0.09 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3bpf h GLN 54 Cb 0.15 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3bpf h GLN 54 CO -0.01 0.87 -0.33 1.88 -0.95 0.00 0.00 178.83 180.29 3bpf h TYR 55 N 1.27 0.00 0.16 2.96 -1.99 -1.29 0.20 116.97 118.28 3bpf h TYR 55 Ca 0.33 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.05 3bpf h TYR 55 Cb -0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.67 3bpf h TYR 55 CO 0.00 0.33 -0.08 0.00 -0.00 0.00 0.00 178.16 178.41 3bpf h ALA 56 N 1.67 -0.21 0.46 3.88 0.00 -0.38 -2.99 119.26 121.69 3bpf h ALA 56 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3bpf h ALA 56 Cb 0.60 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3bpf h ALA 56 CO 0.04 -0.28 -0.22 0.82 0.00 0.00 0.00 179.25 179.61 3bpf h ILE 57 N -0.89 0.51 -0.01 0.00 2.04 0.89 -2.78 117.51 117.27 3bpf h ILE 57 Ca -0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3bpf h ILE 57 Cb 0.51 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3bpf h ILE 57 CO 0.04 0.05 -0.43 0.54 0.00 0.00 0.00 178.15 178.34 3bpf n ARG 58 N -5.29 0.65 -1.92 2.37 1.74 0.69 -4.30 116.66 110.60 3bpf n ARG 58 Ca -0.11 -0.44 -0.01 0.00 -0.77 0.00 0.00 57.85 56.52 3bpf n ARG 58 Cb 0.29 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 3bpf n ARG 58 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3bpf n LYS 59 N -0.79 0.69 0.00 5.56 2.85 -1.14 -5.02 118.16 120.30 3bpf n LYS 59 Ca 0.09 -1.95 0.00 0.00 -1.05 0.00 0.00 58.31 55.41 3bpf n LYS 59 Cb 0.37 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 3bpf n LYS 59 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3bpf n ASN 60 N -0.30 0.00 0.00 -5.58 3.02 -1.05 -4.90 115.26 106.45 3bpf n ASN 60 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3bpf n ASN 60 Cb 0.90 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 3bpf n ASN 60 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3bpf n LYS 61 N 0.00 0.00 -2.61 3.52 3.00 -1.17 -4.13 118.16 116.76 3bpf n LYS 61 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3bpf n LYS 61 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 3bpf n LYS 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3bpf s LEU 62 N 0.00 4.00 -0.02 3.14 0.20 -1.26 -2.70 118.68 122.03 3bpf s LEU 62 Ca 0.00 1.21 -0.00 0.00 0.69 0.00 0.00 54.13 56.03 3bpf s LEU 62 Cb 0.00 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.25 3bpf s LEU 62 CO 0.00 -0.82 0.03 0.27 -0.29 0.00 0.00 176.35 175.54 3bpf s ILE 63 N 3.56 -0.05 -0.12 6.68 -4.36 -1.26 -5.07 121.20 120.58 3bpf s ILE 63 Ca 0.47 0.19 -0.01 0.00 -0.26 0.00 0.00 60.65 61.03 3bpf s ILE 63 Cb -0.14 -0.08 -0.03 0.00 1.25 0.00 0.00 42.46 43.47 3bpf s ILE 63 CO 0.13 0.08 -0.06 0.42 0.24 0.00 0.00 174.94 175.74 3bpf s THR 64 N 0.96 3.68 0.29 8.37 -4.23 -1.26 -4.73 115.64 118.72 3bpf s THR 64 Ca -0.08 -0.45 0.11 0.00 -1.18 0.00 0.00 61.69 60.09 3bpf s THR 64 Cb -0.11 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 3bpf s THR 64 CO -0.03 0.54 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.71 3bpf s LEU 65 N -0.06 2.79 -0.54 4.79 1.43 -1.26 -2.07 118.68 123.76 3bpf s LEU 65 Ca 0.00 -0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 51.90 3bpf s LEU 65 Cb -0.13 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.86 3bpf s LEU 65 CO 0.03 -0.02 1.01 -0.55 0.23 0.00 0.00 176.35 177.05 3bpf s SER 66 N -3.58 6.40 0.23 2.29 0.15 0.84 -4.17 113.70 115.86 3bpf s SER 66 Ca 0.31 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.07 3bpf s SER 66 Cb -0.04 -2.47 0.94 0.00 -1.71 0.00 0.00 66.02 62.73 3bpf s SER 66 CO 0.17 -1.27 1.72 -1.84 1.20 0.00 0.00 173.24 173.22 3bpf n GLU 67 N 7.68 0.20 0.37 5.44 0.00 -1.26 -2.90 120.64 130.17 3bpf n GLU 67 Ca 0.05 0.37 -0.15 0.00 0.00 0.00 0.00 57.16 57.42 3bpf n GLU 67 Cb 0.48 -1.84 -0.07 0.00 0.00 0.00 0.00 31.44 30.01 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 -0.94 -0.94 3.44 5.75 -1.88 0.28 115.11 120.81 3bpf h GLN 68 Ca 0.00 0.06 0.22 0.00 -0.15 0.00 0.00 58.65 58.79 3bpf h GLN 68 Cb 0.44 0.21 -0.18 0.00 1.07 0.00 0.00 27.48 29.03 3bpf h GLN 68 CO 0.00 -0.62 -0.08 1.49 -2.65 0.00 0.00 178.83 176.97 3bpf h GLU 69 N -1.24 0.02 -0.71 1.69 4.81 -1.80 1.83 114.58 119.18 3bpf h GLU 69 Ca -0.10 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3bpf h GLU 69 Cb 0.76 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 3bpf h GLU 69 CO 0.16 0.01 0.24 1.25 -0.73 0.00 0.00 179.01 179.95 3bpf h LEU 70 N 0.02 1.01 -0.67 1.64 5.85 -1.45 0.83 115.31 122.53 3bpf h LEU 70 Ca 0.52 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.96 3bpf h LEU 70 Cb 0.94 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3bpf h LEU 70 CO -0.91 0.92 -0.11 0.58 -0.34 0.00 0.00 178.44 178.58 3bpf h VAL 71 N 1.05 1.26 -0.02 1.05 2.07 0.58 -1.78 116.25 120.46 3bpf h VAL 71 Ca 0.23 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 3bpf h VAL 71 Cb 0.26 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3bpf h VAL 71 CO -0.01 0.43 -0.67 0.44 0.02 0.00 0.00 177.57 177.77 3bpf h ASP 72 N 0.83 0.13 0.00 0.57 3.32 0.29 -3.39 116.42 118.17 3bpf h ASP 72 Ca 0.13 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3bpf h ASP 72 Cb 0.64 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3bpf h ASP 72 CO 0.04 0.76 -0.86 0.00 -1.72 0.00 0.00 179.24 177.47 3bpf s SER 74 N -1.90 5.73 0.00 0.00 0.15 -0.67 -4.81 113.70 112.20 3bpf s SER 74 Ca -0.00 -0.55 0.31 0.00 0.70 0.00 0.00 55.95 56.41 3bpf s SER 74 Cb 0.00 -2.55 1.60 0.00 -1.71 0.00 0.00 66.02 63.36 3bpf s SER 74 CO 0.03 -2.15 2.06 0.49 1.20 0.00 0.00 173.24 174.87 3bpf n PHE 75 N 11.39 0.00 1.54 3.44 3.72 -1.26 -1.83 117.46 134.46 3bpf n PHE 75 Ca 0.25 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.77 3bpf n PHE 75 Cb 0.50 -0.04 0.53 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.75 1.49 -3.86 -1.08 5.02 -1.26 -4.92 118.16 112.81 3bpf n LYS 76 Ca 0.21 -0.73 -0.20 0.00 -2.02 0.00 0.00 58.31 55.56 3bpf n LYS 76 Cb 0.20 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.08 1.61 -2.35 4.39 3.02 -0.76 -4.77 115.26 116.32 3bpf n ASN 77 Ca 0.18 -2.65 -0.18 0.00 -0.03 0.00 0.00 54.58 51.90 3bpf n ASN 77 Cb 0.27 0.66 0.02 0.00 -0.61 0.00 0.00 39.78 40.12 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 -0.75 2.40 0.00 3.10 4.01 -0.99 -4.97 117.16 119.97 3bpf n TYR 78 Ca -0.07 -2.43 0.00 0.00 -0.16 0.00 0.00 57.90 55.24 3bpf n TYR 78 Cb 0.47 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.58 2.44 0.03 2.72 0.00 -1.24 0.67 105.19 109.24 3bpf n GLY 79 Ca 0.31 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.69 1.71 0.00 0.00 3.02 0.21 -1.70 115.26 116.82 3bpf n ASN 81 Ca 0.02 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 3bpf n ASN 81 Cb 0.15 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.05 0.68 0.00 7.41 0.00 -0.87 -4.88 105.19 108.58 3bpf n GLY 82 Ca 0.12 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 -0.34 3.12 -0.02 0.00 -1.26 -2.33 105.19 104.35 3bpf n GLY 83 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 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 2.19 0.05 0.99 1.43 -1.26 -4.81 118.68 117.27 3bpf s LEU 84 Ca 0.00 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 3bpf s LEU 84 Cb 0.00 -0.49 -0.18 0.00 0.03 0.00 0.00 46.19 45.55 3bpf s LEU 84 CO 0.00 -0.02 1.48 0.40 0.23 0.00 0.00 176.35 178.44 3bpf h ILE 85 N 4.51 0.39 -0.06 -0.59 2.04 -1.99 -1.13 117.51 120.67 3bpf h ILE 85 Ca -0.37 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3bpf h ILE 85 Cb 1.19 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 3bpf h ILE 85 CO 0.43 0.02 -0.54 -0.55 0.00 0.00 0.00 178.15 177.51 3bpf h ASN 86 N -0.89 -1.70 -0.92 1.72 7.08 -1.97 -1.38 115.58 117.52 3bpf h ASN 86 Ca -0.08 0.19 0.24 0.00 -3.08 0.00 0.00 56.30 53.57 3bpf h ASN 86 Cb 0.64 0.65 -0.17 0.00 -2.08 0.00 0.00 38.32 37.36 3bpf h ASN 86 CO 0.13 -0.51 0.01 0.78 -2.08 0.00 0.00 177.43 175.76 3bpf h ASN 87 N -0.64 -0.45 0.10 6.14 -0.26 -1.89 0.55 115.58 119.13 3bpf h ASN 87 Ca 0.02 0.25 0.02 0.00 -0.56 0.00 0.00 56.30 56.04 3bpf h ASN 87 Cb 0.71 0.44 -0.05 0.00 -1.06 0.00 0.00 38.32 38.37 3bpf h ASN 87 CO -0.39 -0.29 -0.38 0.00 -1.06 0.00 0.00 177.43 175.30 3bpf h ALA 88 N 1.90 -0.66 -0.72 -0.83 0.00 -0.31 0.15 119.26 118.78 3bpf h ALA 88 Ca 0.54 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.46 3bpf h ALA 88 Cb 1.04 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3bpf h ALA 88 CO -0.84 -0.94 0.47 0.74 0.00 0.00 0.00 179.25 178.68 3bpf h PHE 89 N -0.60 0.71 -0.01 0.00 0.04 0.10 0.61 116.94 117.80 3bpf h PHE 89 Ca 0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3bpf h PHE 89 Cb 0.64 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 3bpf h PHE 89 CO -0.35 0.36 -0.00 0.93 -0.60 0.00 0.00 178.31 178.65 3bpf h GLU 90 N 0.69 0.02 -0.45 1.51 5.08 -0.59 -2.86 114.58 117.98 3bpf h GLU 90 Ca 0.32 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 3bpf h GLU 90 Cb 0.35 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3bpf h GLU 90 CO -0.11 0.41 0.30 -0.44 -1.00 0.00 0.00 179.01 178.17 3bpf h ASP 91 N -0.38 0.38 -0.15 1.42 3.32 0.72 0.12 116.42 121.84 3bpf h ASP 91 Ca 0.00 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3bpf h ASP 91 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3bpf h ASP 91 CO 0.00 0.26 0.03 0.24 -1.72 0.00 0.00 179.24 178.05 3bpf h MET 92 N 0.44 0.09 -0.25 3.56 2.86 -0.86 0.70 114.93 121.48 3bpf h MET 92 Ca 0.19 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3bpf h MET 92 Cb 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3bpf h MET 92 CO -0.05 0.06 0.14 0.82 1.06 0.00 0.00 176.91 178.95 3bpf h ILE 93 N 0.10 1.11 -0.91 -1.22 2.04 -0.58 0.60 117.51 118.64 3bpf h ILE 93 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3bpf h ILE 93 Cb 0.06 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3bpf h ILE 93 CO -0.09 0.10 0.58 -0.33 0.00 0.00 0.00 178.15 178.41 3bpf h GLU 94 N 0.30 1.22 0.00 2.37 5.08 -1.12 -0.91 114.58 121.53 3bpf h GLU 94 Ca 0.09 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3bpf h GLU 94 Cb 0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3bpf h GLU 94 CO -0.02 0.83 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.34 3bpf h LEU 95 N 1.25 0.00 -1.34 1.33 3.38 -0.09 -3.48 115.31 116.36 3bpf h LEU 95 Ca 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 3bpf h LEU 95 Cb -0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.67 3bpf h LEU 95 CO -0.07 0.41 -0.08 0.61 0.09 0.00 0.00 178.44 179.41 3bpf n GLY 96 N -0.07 0.63 0.00 0.83 0.00 0.20 -4.93 105.19 101.85 3bpf n GLY 96 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.80 2.63 3.35 -0.02 0.00 -1.08 -4.73 105.19 104.54 3bpf n GLY 97 Ca -0.01 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.82 1.97 0.52 -0.61 1.01 -0.64 -4.68 121.20 115.95 3bpf s ILE 98 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 60.65 58.66 3bpf s ILE 98 Cb 0.00 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 3bpf s ILE 98 CO 0.00 -0.14 1.01 0.00 0.00 0.00 0.00 174.94 175.82 3bpf s PRO 100 N -3.79 3.65 0.22 0.00 0.05 -1.26 -0.11 135.00 133.75 3bpf s PRO 100 Ca 0.62 0.86 0.17 0.00 0.05 0.00 0.00 61.00 62.70 3bpf s PRO 100 Cb -0.13 -3.98 0.71 0.00 0.05 0.00 0.00 34.50 31.16 3bpf s PRO 100 CO 0.28 -1.47 0.71 -0.40 0.05 0.00 0.00 177.00 176.18 3bpf n ASP 101 N 8.41 0.07 -0.07 6.66 5.68 -0.88 0.23 116.55 136.65 3bpf n ASP 101 Ca 0.15 0.58 0.25 0.00 -0.50 0.00 0.00 54.79 55.27 3bpf n ASP 101 Cb 0.48 -0.29 0.68 0.00 -1.14 0.00 0.00 41.12 40.85 3bpf n ASP 101 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3bpf h GLY 102 N 0.00 0.00 0.03 6.12 0.00 -1.89 0.55 103.07 107.88 3bpf h GLY 102 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.53 3bpf h GLY 102 CO -0.15 0.00 -2.19 1.22 0.00 0.00 0.00 176.54 175.41 3bpf n ASP 103 N -3.69 0.03 -3.37 0.19 8.00 0.62 -4.77 116.55 113.55 3bpf n ASP 103 Ca 0.15 0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.40 3bpf n ASP 103 Cb 0.97 1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 43.39 3bpf n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bpf n TYR 104 N -2.54 1.02 -1.67 1.24 -0.00 0.07 -4.97 117.16 110.30 3bpf n TYR 104 Ca -0.20 -3.76 -0.31 0.00 -0.00 0.00 0.00 57.90 53.63 3bpf n TYR 104 Cb 0.90 -0.32 0.04 0.00 -0.00 0.00 0.00 39.34 39.96 3bpf n TYR 104 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3bpf s PRO 105 N -1.33 3.05 -0.02 2.98 0.02 -0.50 -4.39 135.00 134.81 3bpf s PRO 105 Ca 0.35 0.84 -0.19 0.00 0.02 0.00 0.00 61.00 62.02 3bpf s PRO 105 Cb 0.12 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 3bpf s PRO 105 CO -0.11 -0.99 0.52 -0.47 -0.33 0.00 0.00 177.00 175.63 3bpf s TYR 106 N -3.11 3.68 -0.16 6.54 5.04 -1.26 -4.84 117.35 123.23 3bpf s TYR 106 Ca 0.57 1.10 0.19 0.00 -2.44 0.00 0.00 57.07 56.49 3bpf s TYR 106 Cb -0.13 -2.51 0.45 0.00 0.35 0.00 0.00 41.96 40.12 3bpf s TYR 106 CO 0.54 0.41 1.17 1.33 -1.34 0.00 0.00 175.55 177.67 3bpf n VAL 107 N 2.57 1.24 0.00 3.14 0.24 -1.26 -5.09 118.33 119.17 3bpf n VAL 107 Ca -0.09 -2.51 0.00 0.00 -2.04 0.00 0.00 64.34 59.70 3bpf n VAL 107 Cb 0.51 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.35 0.00 -0.20 -1.34 3.41 -1.26 -0.67 113.62 113.21 3bpf n SER 108 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.84 3bpf n SER 108 Cb 0.93 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.99 0.61 -4.61 4.04 5.75 -1.20 -4.81 116.55 117.32 3bpf n ASP 109 Ca 0.00 -1.65 -0.43 0.00 -0.01 0.00 0.00 54.79 52.70 3bpf n ASP 109 Cb 0.00 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.90 3.12 0.05 2.12 0.00 0.16 -4.93 121.76 120.38 3bpf s ALA 110 Ca 0.24 0.19 -0.37 0.00 0.00 0.00 0.00 51.96 52.01 3bpf s ALA 110 Cb 0.12 -3.90 -0.19 0.00 0.00 0.00 0.00 23.12 19.14 3bpf s ALA 110 CO 0.18 -2.21 0.96 -2.30 0.00 0.00 0.00 175.76 172.39 3bpf n PRO 111 N 7.91 0.08 -3.68 0.00 -0.02 -1.26 -4.90 135.00 133.13 3bpf n PRO 111 Ca 0.19 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 3bpf n PRO 111 Cb 0.47 -1.43 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 3bpf n PRO 111 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3bpf s ASN 112 N -0.20 -0.27 -0.13 2.55 2.47 -1.26 -5.15 114.94 112.94 3bpf s ASN 112 Ca 0.84 0.04 0.01 0.00 0.42 0.00 0.00 52.86 54.17 3bpf s ASN 112 Cb -1.17 0.40 -0.00 0.00 -1.45 0.00 0.00 41.25 39.03 3bpf s ASN 112 CO 0.56 -0.62 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.39 3bpf s LEU 113 N -1.84 2.39 0.44 3.21 1.43 -1.26 -4.94 118.68 118.11 3bpf s LEU 113 Ca -0.07 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 3bpf s LEU 113 Cb -0.02 -1.52 -0.11 0.00 0.03 0.00 0.00 46.19 44.58 3bpf s LEU 113 CO -0.01 0.12 0.81 0.00 0.23 0.00 0.00 176.35 177.51 3bpf s ASN 115 N -0.88 -0.58 0.13 0.00 3.84 -1.26 -5.04 114.94 111.15 3bpf s ASN 115 Ca 0.64 -1.76 -0.30 0.00 0.21 0.00 0.00 52.86 51.65 3bpf s ASN 115 Cb -0.57 1.31 -0.07 0.00 -0.55 0.00 0.00 41.25 41.37 3bpf s ASN 115 CO 0.56 -0.13 1.57 0.40 -2.79 0.00 0.00 177.10 176.72 3bpf h ILE 116 N 4.94 0.10 -0.33 -5.21 1.08 -1.99 -2.89 117.51 113.21 3bpf h ILE 116 Ca 0.09 0.00 -0.60 0.00 -0.39 0.00 0.00 64.86 63.97 3bpf h ILE 116 Cb 1.08 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 3bpf h ILE 116 CO 0.12 0.00 2.61 -0.90 -0.69 0.00 0.00 178.15 179.29 3bpf n ASP 117 N -5.44 7.89 -0.96 1.72 5.75 -1.26 -4.22 116.55 120.03 3bpf n ASP 117 Ca -0.05 -2.73 0.08 0.00 -0.01 0.00 0.00 54.79 52.09 3bpf n ASP 117 Cb 0.37 -1.47 0.26 0.00 -1.03 0.00 0.00 41.12 39.25 3bpf n ASP 117 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bpf n ARG 118 N 2.80 3.12 -3.26 0.11 0.63 -1.09 -4.91 116.66 114.06 3bpf n ARG 118 Ca 0.67 -2.72 0.03 0.00 -0.92 0.00 0.00 57.85 54.92 3bpf n ARG 118 Cb 0.37 -1.77 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 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 5.30 0.47 -3.44 0.00 1.35 -1.94 -3.39 112.91 111.25 3bpf h THR 120 Ca -0.14 -0.12 -0.64 0.00 -0.55 0.00 0.00 66.41 64.96 3bpf h THR 120 Cb 1.13 0.08 -0.21 0.00 -1.73 0.00 0.00 68.15 67.42 3bpf h THR 120 CO 0.03 0.07 -0.63 -1.83 -0.25 0.00 0.00 175.52 172.90 3bpf s GLU 121 N -5.93 3.70 0.53 4.72 -1.05 -1.26 -5.11 118.70 114.31 3bpf s GLU 121 Ca -0.12 -0.47 0.08 0.00 -0.15 0.00 0.00 54.97 54.31 3bpf s GLU 121 Cb 0.24 -3.15 0.06 0.00 -0.44 0.00 0.00 34.13 30.84 3bpf s GLU 121 CO 0.77 0.04 0.62 0.15 0.95 0.00 0.00 175.26 177.80 3bpf s LYS 122 N 0.95 2.37 -0.17 -4.83 1.02 -1.26 -4.52 119.74 113.30 3bpf s LYS 122 Ca 0.02 -1.69 -0.05 0.00 0.02 0.00 0.00 55.97 54.28 3bpf s LYS 122 Cb -0.14 -2.49 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 3bpf s LYS 122 CO 0.02 -0.67 0.13 0.71 -0.92 0.00 0.00 175.35 174.62 3bpf s TYR 123 N -2.64 0.05 0.34 3.18 1.51 -0.36 -4.82 117.35 114.60 3bpf s TYR 123 Ca 0.52 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.54 3bpf s TYR 123 Cb -0.05 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.21 3bpf s TYR 123 CO 0.32 -0.51 0.40 0.20 -1.11 0.00 0.00 175.55 174.85 3bpf s GLY 124 N 2.20 1.69 -0.10 0.71 0.00 -1.26 -1.62 107.32 108.95 3bpf s GLY 124 Ca 0.03 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.23 3bpf s GLY 124 CO -0.09 -1.47 -0.22 -0.26 0.00 0.00 0.00 173.10 171.05 3bpf s ILE 125 N -2.24 2.23 -0.02 0.90 -4.36 -1.26 -4.88 121.20 111.58 3bpf s ILE 125 Ca 0.44 -0.96 -0.22 0.00 -0.26 0.00 0.00 60.65 59.65 3bpf s ILE 125 Cb -0.08 -1.86 -0.14 0.00 1.25 0.00 0.00 42.46 41.63 3bpf s ILE 125 CO 0.29 0.56 0.96 0.11 0.24 0.00 0.00 174.94 177.10 3bpf h LYS 126 N 6.61 -0.47 0.00 0.37 1.57 -1.52 -3.44 116.57 119.69 3bpf h LYS 126 Ca -0.22 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 3bpf h LYS 126 Cb 1.23 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 3bpf h LYS 126 CO 0.48 -0.16 -0.03 -1.71 -0.57 0.00 0.00 179.45 177.47 3bpf n ASN 127 N -5.12 -0.46 -3.79 0.86 4.05 -1.02 -5.03 115.26 104.74 3bpf n ASN 127 Ca -0.09 -1.57 -0.13 0.00 0.45 0.00 0.00 54.58 53.25 3bpf n ASN 127 Cb 0.27 0.84 -0.09 0.00 1.23 0.00 0.00 39.78 42.02 3bpf n ASN 127 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3bpf s TYR 128 N -4.75 -0.14 0.17 1.20 1.13 -1.26 0.06 117.35 113.75 3bpf s TYR 128 Ca 0.08 0.23 0.09 0.00 -1.41 0.00 0.00 57.07 56.06 3bpf s TYR 128 Cb -0.00 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3bpf s TYR 128 CO 0.06 -0.34 -0.20 -0.48 -2.51 0.00 0.00 175.55 172.08 3bpf s LEU 129 N -1.17 2.42 0.13 -3.49 2.34 -0.91 -4.62 118.68 113.39 3bpf s LEU 129 Ca -0.12 -0.84 -0.23 0.00 0.06 0.00 0.00 54.13 52.99 3bpf s LEU 129 Cb -0.05 -0.92 -0.07 0.00 -0.56 0.00 0.00 46.19 44.58 3bpf s LEU 129 CO 0.03 0.02 0.71 -0.55 -1.06 0.00 0.00 176.35 175.50 3bpf s SER 130 N -2.58 7.27 -0.19 1.48 0.15 -1.26 -1.98 113.70 116.59 3bpf s SER 130 Ca 0.16 1.51 -0.11 0.00 0.70 0.00 0.00 55.95 58.21 3bpf s SER 130 Cb -0.07 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3bpf s SER 130 CO 0.07 0.22 0.17 -0.69 1.20 0.00 0.00 173.24 174.21 3bpf s VAL 131 N -1.06 5.38 0.39 4.45 1.01 0.03 -4.35 120.40 126.25 3bpf s VAL 131 Ca 0.34 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 3bpf s VAL 131 Cb -0.22 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3bpf s VAL 131 CO 0.24 0.42 1.16 -2.16 0.00 0.00 0.00 175.10 174.76 3bpf s PRO 132 N 0.43 4.13 0.54 2.72 0.04 -1.26 -4.43 135.00 137.16 3bpf s PRO 132 Ca 0.10 1.83 0.25 0.00 0.04 0.00 0.00 61.00 63.22 3bpf s PRO 132 Cb -0.12 -2.73 1.53 0.00 0.04 0.00 0.00 34.50 33.23 3bpf s PRO 132 CO -0.00 -0.25 2.15 0.38 0.04 0.00 0.00 177.00 179.32 3bpf h ASP 133 N 2.76 0.00 0.00 6.66 -0.00 -1.91 -0.86 116.42 123.07 3bpf h ASP 133 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 3bpf h ASP 133 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 3bpf h ASP 133 CO 0.63 0.06 0.00 -0.46 -0.00 0.00 0.00 179.24 179.47 3bpf n ASN 134 N -3.95 0.00 -2.83 4.15 0.23 -1.26 -4.20 115.26 107.41 3bpf n ASN 134 Ca -0.03 -1.17 -0.01 0.00 -0.53 0.00 0.00 54.58 52.84 3bpf n ASN 134 Cb 0.15 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.83 1.73 0.03 -3.83 5.02 -0.33 -4.86 118.16 115.08 3bpf n LYS 135 Ca 0.14 -3.51 -0.10 0.00 -2.02 0.00 0.00 58.31 52.82 3bpf n LYS 135 Cb 0.06 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 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 2.62 -0.14 -1.38 -0.35 3.38 -1.73 -1.88 115.31 115.84 3bpf h LEU 136 Ca -0.13 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.50 3bpf h LEU 136 Cb 1.27 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 3bpf h LEU 136 CO 0.20 0.47 0.50 0.11 0.09 0.00 0.00 178.44 179.80 3bpf h LYS 137 N -0.87 0.70 -0.10 1.13 1.57 -1.84 0.20 116.57 117.35 3bpf h LYS 137 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3bpf h LYS 137 Cb 0.55 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3bpf h LYS 137 CO 0.03 0.46 0.06 1.49 -0.57 0.00 0.00 179.45 180.92 3bpf h GLU 138 N 0.72 0.14 0.56 3.15 4.81 -1.91 -1.82 114.58 120.23 3bpf h GLU 138 Ca 0.34 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3bpf h GLU 138 Cb 0.39 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.74 3bpf h GLU 138 CO -0.12 0.14 -0.27 0.00 -0.73 0.00 0.00 179.01 178.03 3bpf h ALA 139 N 0.99 -0.75 -0.50 2.92 0.00 -0.11 -3.02 119.26 118.79 3bpf h ALA 139 Ca 0.04 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3bpf h ALA 139 Cb 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 3bpf h ALA 139 CO -0.01 -0.86 -0.44 -0.07 0.00 0.00 0.00 179.25 177.87 3bpf h LEU 140 N -0.88 -1.50 -0.93 0.00 3.38 -0.76 0.43 115.31 115.05 3bpf h LEU 140 Ca -0.08 0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.32 3bpf h LEU 140 Cb 0.62 0.66 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 3bpf h LEU 140 CO 0.13 -0.35 0.50 -0.09 0.09 0.00 0.00 178.44 178.71 3bpf h ARG 141 N -0.28 0.57 0.00 1.13 9.65 -1.21 -2.58 114.38 121.65 3bpf h ARG 141 Ca 0.15 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.85 3bpf h ARG 141 Cb 0.57 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 3bpf h ARG 141 CO -0.63 0.38 -1.57 1.19 2.80 0.00 0.00 179.97 182.13 3bpf n PHE 142 N -4.90 0.00 -0.05 2.20 3.72 -1.08 -4.80 117.46 112.56 3bpf n PHE 142 Ca 0.22 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.40 3bpf n PHE 142 Cb 0.59 -0.40 -0.13 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.47 2.35 0.00 4.37 4.32 0.15 -4.92 117.00 120.80 3bpf n LEU 143 Ca -0.15 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 3bpf n LEU 143 Cb 0.74 -1.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 3bpf n LEU 143 CO 0.15 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 3bpf n GLY 144 N 1.78 1.44 3.46 -0.72 0.00 -0.97 -5.01 105.19 105.16 3bpf n GLY 144 Ca -0.34 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.20 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 -1.48 0.53 -4.04 1.61 -0.02 -1.26 -4.16 135.00 126.18 3bpf n PRO 145 Ca 0.00 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 3bpf n PRO 145 Cb 0.00 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.68 1.67 0.02 4.25 1.01 -0.25 -4.82 121.20 121.40 3bpf s ILE 146 Ca 0.67 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 3bpf s ILE 146 Cb -0.47 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.35 3bpf s ILE 146 CO 0.55 0.44 1.58 -0.44 0.00 0.00 0.00 174.94 177.07 3bpf s SER 147 N 1.44 6.69 0.06 3.58 0.01 -0.10 -0.49 113.70 124.89 3bpf s SER 147 Ca 0.04 2.32 -0.09 0.00 1.31 0.00 0.00 55.95 59.53 3bpf s SER 147 Cb -0.13 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3bpf s SER 147 CO -0.11 -0.85 0.20 0.27 0.41 0.00 0.00 173.24 173.17 3bpf s ILE 148 N 2.85 0.12 0.76 1.44 -4.36 0.35 -0.78 121.20 121.58 3bpf s ILE 148 Ca 0.71 -1.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.04 3bpf s ILE 148 Cb -0.36 -1.10 0.12 0.00 1.25 0.00 0.00 42.46 42.38 3bpf s ILE 148 CO 0.30 -0.55 1.06 -0.94 0.24 0.00 0.00 174.94 175.05 3bpf s SER 149 N -2.42 4.23 0.00 4.36 1.04 -0.77 -1.24 113.70 118.90 3bpf s SER 149 Ca -0.01 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3bpf s SER 149 Cb 0.01 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.71 3bpf s SER 149 CO -0.07 -1.96 0.00 0.55 0.98 0.00 0.00 173.24 172.74 3bpf n VAL 150 N -3.05 0.00 -2.77 5.02 3.14 -0.67 -2.13 118.33 117.87 3bpf n VAL 150 Ca 0.13 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.08 3bpf n VAL 150 Cb 0.60 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.36 3bpf n VAL 150 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3bpf s ALA 151 N -1.08 3.24 0.60 1.55 0.00 -1.16 -2.27 121.76 122.65 3bpf s ALA 151 Ca 0.00 -2.71 -0.15 0.00 0.00 0.00 0.00 51.96 49.10 3bpf s ALA 151 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 3bpf s ALA 151 CO 0.00 -3.19 1.05 0.08 0.00 0.00 0.00 175.76 173.70 3bpf s VAL 152 N 3.44 3.92 0.30 0.00 1.01 -1.26 0.57 120.40 128.38 3bpf s VAL 152 Ca 0.41 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 3bpf s VAL 152 Cb -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3bpf s VAL 152 CO -0.06 -0.59 0.49 -0.94 0.00 0.00 0.00 175.10 174.00 3bpf s SER 153 N -2.99 0.38 0.14 3.32 1.04 -1.26 -3.78 113.70 110.54 3bpf s SER 153 Ca 0.62 -1.22 -0.23 0.00 0.48 0.00 0.00 55.95 55.60 3bpf s SER 153 Cb -0.15 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3bpf s SER 153 CO 0.39 -1.25 1.64 0.44 0.98 0.00 0.00 173.24 175.45 3bpf h ASP 154 N 2.19 -0.72 -0.97 7.02 3.45 -1.94 -0.64 116.42 124.81 3bpf h ASP 154 Ca -0.28 0.12 0.20 0.00 0.43 0.00 0.00 57.03 57.50 3bpf h ASP 154 Cb 1.25 0.32 -0.11 0.00 -0.56 0.00 0.00 39.33 40.23 3bpf h ASP 154 CO 0.38 -0.28 0.55 -0.78 -1.57 0.00 0.00 179.24 177.55 3bpf h ASP 155 N -0.28 0.66 -0.53 6.45 3.58 -1.98 0.25 116.42 124.56 3bpf h ASP 155 Ca 0.11 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 3bpf h ASP 155 Cb 0.44 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 3bpf h ASP 155 CO -0.31 0.19 0.23 0.15 -2.88 0.00 0.00 179.24 176.61 3bpf h PHE 156 N 0.65 0.83 -0.54 0.28 3.57 -1.35 -2.96 116.94 117.42 3bpf h PHE 156 Ca 0.58 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.95 3bpf h PHE 156 Cb 0.97 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3bpf h PHE 156 CO -0.04 0.65 0.01 0.00 -2.23 0.00 0.00 178.31 176.70 3bpf h ALA 157 N 1.43 0.73 0.00 2.41 0.00 0.21 -3.05 119.26 121.00 3bpf h ALA 157 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bpf h ALA 157 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3bpf h ALA 157 CO -0.02 0.55 0.00 1.19 0.00 0.00 0.00 179.25 180.97 3bpf n PHE 158 N -4.28 0.00 -1.60 0.00 3.72 -0.87 -4.84 117.46 109.59 3bpf n PHE 158 Ca 0.02 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.96 3bpf n PHE 158 Cb 0.32 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 3bpf n PHE 158 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3bpf n TYR 159 N -1.13 1.47 0.00 1.38 9.36 -1.15 -4.92 117.16 122.17 3bpf n TYR 159 Ca 0.14 0.65 0.00 0.00 3.32 0.00 0.00 57.90 62.01 3bpf n TYR 159 Cb 0.12 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.53 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 1.19 1.05 -3.57 2.98 5.02 -1.26 -3.95 118.16 119.62 3bpf n LYS 160 Ca 0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 3bpf n LYS 160 Cb 0.30 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.38 0.54 0.79 1.97 -1.05 -1.26 -3.83 118.70 114.47 3bpf s GLU 161 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 3bpf s GLU 161 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3bpf s GLU 161 CO 0.00 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.41 3bpf n GLY 162 N 0.23 -1.32 3.54 -3.83 0.00 -1.26 -4.89 105.19 97.65 3bpf n GLY 162 Ca -0.06 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 3bpf n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bpf s ILE 163 N 0.00 5.28 0.05 -0.61 -4.36 -1.26 -3.78 121.20 116.52 3bpf s ILE 163 Ca 0.00 -0.16 -0.31 0.00 -0.26 0.00 0.00 60.65 59.93 3bpf s ILE 163 Cb 0.00 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.95 3bpf s ILE 163 CO 0.00 0.02 1.39 0.12 0.24 0.00 0.00 174.94 176.71 3bpf s PHE 164 N 1.74 3.02 -0.03 1.37 2.19 0.37 -4.84 117.98 121.79 3bpf s PHE 164 Ca 0.06 0.88 0.19 0.00 0.33 0.00 0.00 56.93 58.39 3bpf s PHE 164 Cb -0.17 -3.67 0.35 0.00 -1.31 0.00 0.00 43.02 38.22 3bpf s PHE 164 CO 0.11 -2.41 1.15 -0.40 1.83 0.00 0.00 175.22 175.49 3bpf n ASP 165 N 4.76 0.98 -2.30 6.13 5.75 -1.26 -2.24 116.55 128.36 3bpf n ASP 165 Ca 0.12 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3bpf n ASP 165 Cb 0.43 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3bpf n ASP 165 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bpf n GLY 166 N 0.12 -0.31 3.88 6.12 0.00 -1.26 -5.08 105.19 108.65 3bpf n GLY 166 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3bpf n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bpf s GLU 167 N -0.36 3.23 0.27 1.61 2.02 -1.26 -5.03 118.70 119.19 3bpf s GLU 167 Ca 0.00 0.56 0.12 0.00 0.02 0.00 0.00 54.97 55.66 3bpf s GLU 167 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 3bpf s GLU 167 CO 0.00 -0.77 -0.20 0.00 0.02 0.00 0.00 175.26 174.31 3bpf s GLY 169 N -3.46 1.55 0.02 0.00 0.00 0.19 -4.81 107.32 100.81 3bpf s GLY 169 Ca 0.29 -0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 3bpf s GLY 169 CO 0.15 0.56 0.96 -0.55 0.00 0.00 0.00 173.10 174.21 3bpf h ASP 170 N -2.56 0.82 -5.39 1.64 5.19 -1.84 -3.48 116.42 110.80 3bpf h ASP 170 Ca -0.61 -0.92 -0.16 0.00 -0.62 0.00 0.00 57.03 54.71 3bpf h ASP 170 Cb 1.33 -0.27 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 3bpf h ASP 170 CO 0.51 1.72 -0.58 0.00 -3.12 0.00 0.00 179.24 177.77 3bpf s GLN 171 N -2.59 0.96 0.01 3.56 -2.07 -1.26 -5.10 119.66 113.17 3bpf s GLN 171 Ca -0.10 -1.37 -0.33 0.00 -1.82 0.00 0.00 55.36 51.73 3bpf s GLN 171 Cb 0.04 0.27 -0.12 0.00 -1.09 0.00 0.00 33.01 32.11 3bpf s GLN 171 CO 0.94 -0.29 1.82 1.28 -1.32 0.00 0.00 175.29 177.72 3bpf n LEU 172 N -0.11 3.54 0.00 2.60 4.77 -1.26 -4.20 117.00 122.34 3bpf n LEU 172 Ca -0.06 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3bpf n LEU 172 Cb 0.63 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3bpf n LEU 172 CO 0.29 -0.04 0.15 -0.46 -1.33 0.00 0.00 177.39 176.00 3bpf n ASN 173 N 5.92 0.00 -3.49 -1.43 0.23 -1.06 -4.90 115.26 110.53 3bpf n ASN 173 Ca 0.20 -1.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.10 3bpf n ASN 173 Cb 0.32 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.60 0.01 -2.53 5.04 -0.96 -4.88 115.29 111.37 3bpf s HIS 174 Ca 0.00 0.81 0.04 0.00 -1.54 0.00 0.00 55.06 54.37 3bpf s HIS 174 Cb 0.00 0.46 -0.03 0.00 0.04 0.00 0.00 32.58 33.04 3bpf s HIS 174 CO 0.00 -0.69 -0.09 0.00 -2.34 0.00 0.00 174.74 171.62 3bpf s ALA 175 N -2.14 2.93 0.34 1.58 0.00 -1.26 -1.66 121.76 121.54 3bpf s ALA 175 Ca -0.07 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 3bpf s ALA 175 Cb -0.00 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3bpf s ALA 175 CO 0.01 0.61 0.55 0.14 0.00 0.00 0.00 175.76 177.07 3bpf s VAL 176 N -0.98 0.00 0.02 0.00 -7.23 -0.38 -4.78 120.40 107.05 3bpf s VAL 176 Ca 0.17 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3bpf s VAL 176 Cb -0.11 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3bpf s VAL 176 CO 0.07 0.00 0.04 -0.04 -0.31 0.00 0.00 175.10 174.86 3bpf s MET 177 N -3.04 2.87 -0.09 4.82 -1.94 -0.95 -0.50 119.30 120.48 3bpf s MET 177 Ca 0.25 -0.60 -0.18 0.00 -1.71 0.00 0.00 55.69 53.46 3bpf s MET 177 Cb -0.02 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.05 3bpf s MET 177 CO 0.16 0.62 0.48 -0.51 -0.01 0.00 0.00 175.02 175.76 3bpf s LEU 178 N -1.78 4.32 -0.00 -0.03 1.43 0.35 -1.92 118.68 121.06 3bpf s LEU 178 Ca 0.22 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 3bpf s LEU 178 Cb -0.12 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3bpf s LEU 178 CO 0.14 0.06 0.06 1.33 0.23 0.00 0.00 176.35 178.16 3bpf n VAL 179 N 3.28 0.00 -3.32 -1.59 0.24 -0.82 -1.09 118.33 115.03 3bpf n VAL 179 Ca -0.08 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3bpf n VAL 179 Cb 0.52 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 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 1.43 -1.13 3.38 7.63 0.00 -1.22 -1.92 105.19 113.35 3bpf n GLY 180 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.39 0.27 1.61 -0.12 0.98 -0.54 117.98 116.78 3bpf s PHE 181 Ca 0.00 0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 57.07 3bpf s PHE 181 Cb 0.00 0.37 0.03 0.00 -0.63 0.00 0.00 43.02 42.79 3bpf s PHE 181 CO 0.00 -0.71 0.51 0.41 -0.05 0.00 0.00 175.22 175.38 3bpf n GLY 182 N 0.04 1.53 3.64 1.99 0.00 0.15 -0.45 105.19 112.09 3bpf n GLY 182 Ca -0.17 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 3bpf n GLY 182 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bpf s MET 183 N -2.17 0.64 0.12 1.61 0.00 -1.20 -0.59 119.30 117.71 3bpf s MET 183 Ca 0.13 1.26 0.10 0.00 0.00 0.00 0.00 55.69 57.17 3bpf s MET 183 Cb -0.03 0.37 -0.04 0.00 0.00 0.00 0.00 34.83 35.13 3bpf s MET 183 CO 0.10 -0.16 -0.21 0.15 0.00 0.00 0.00 175.02 174.89 3bpf s LYS 184 N 2.02 1.64 -0.18 4.11 1.02 -0.83 -4.93 119.74 122.59 3bpf s LYS 184 Ca -0.09 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 54.60 3bpf s LYS 184 Cb -0.07 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 3bpf s LYS 184 CO -0.19 0.47 0.02 -2.00 -0.92 0.00 0.00 175.35 172.73 3bpf s GLU 185 N -2.12 3.80 -0.08 1.68 2.12 -1.26 -0.41 118.70 122.43 3bpf s GLU 185 Ca 0.17 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.04 3bpf s GLU 185 Cb -0.10 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.21 3bpf s GLU 185 CO 0.09 0.19 0.03 0.42 -0.54 0.00 0.00 175.26 175.44 3bpf s ILE 186 N 0.57 0.20 -0.31 -3.70 1.01 -0.75 -4.92 121.20 113.30 3bpf s ILE 186 Ca 0.01 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 3bpf s ILE 186 Cb -0.13 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3bpf s ILE 186 CO 0.02 0.16 0.63 -0.69 0.00 0.00 0.00 174.94 175.06 3bpf s VAL 187 N 2.04 4.94 -0.63 2.92 1.01 -1.26 -3.24 120.40 126.18 3bpf s VAL 187 Ca 0.04 0.84 0.18 0.00 0.00 0.00 0.00 61.98 63.04 3bpf s VAL 187 Cb -0.13 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 3bpf s VAL 187 CO -0.05 -0.14 0.67 -3.20 0.00 0.00 0.00 175.10 172.38 3bpf n ASN 188 N 5.88 0.82 -4.86 3.32 5.15 -1.26 -4.99 115.26 119.32 3bpf n ASN 188 Ca -0.01 -0.68 -0.35 0.00 -0.60 0.00 0.00 54.58 52.95 3bpf n ASN 188 Cb 0.49 1.23 -0.06 0.00 -0.53 0.00 0.00 39.78 40.91 3bpf n ASN 188 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3bpf s GLY 194 N -3.09 2.39 -0.20 8.20 0.00 -1.26 -5.33 107.32 108.02 3bpf s GLY 194 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3bpf s GLY 194 CO 0.75 -0.02 -0.07 -0.54 0.00 0.00 0.00 173.10 173.21 3bpf s GLU 195 N -2.02 1.75 -0.17 2.90 2.02 -1.20 -4.98 118.70 116.99 3bpf s GLU 195 Ca 0.36 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3bpf s GLU 195 Cb -0.14 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 3bpf s GLU 195 CO 0.19 -0.48 1.17 0.15 0.02 0.00 0.00 175.26 176.31 3bpf s LYS 196 N 1.46 4.27 -0.33 1.61 1.02 -1.26 -1.80 119.74 124.70 3bpf s LYS 196 Ca -0.02 1.55 -0.07 0.00 0.02 0.00 0.00 55.97 57.45 3bpf s LYS 196 Cb -0.17 -3.69 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3bpf s LYS 196 CO -0.07 -0.63 0.10 -1.01 -0.92 0.00 0.00 175.35 172.82 3bpf s HIS 197 N 3.15 3.23 0.03 3.18 3.76 0.45 -4.99 115.29 124.09 3bpf s HIS 197 Ca 0.51 -1.29 -0.13 0.00 -0.15 0.00 0.00 55.06 53.99 3bpf s HIS 197 Cb -0.20 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.16 3bpf s HIS 197 CO 0.13 -0.69 0.41 0.71 -0.85 0.00 0.00 174.74 174.45 3bpf s TYR 198 N 1.43 3.68 -0.01 1.40 1.51 -1.26 -1.97 117.35 122.14 3bpf s TYR 198 Ca -0.00 0.93 -0.12 0.00 -1.01 0.00 0.00 57.07 56.87 3bpf s TYR 198 Cb -0.19 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 3bpf s TYR 198 CO 0.03 0.60 0.25 1.52 -1.11 0.00 0.00 175.55 176.84 3bpf s TYR 199 N -1.18 -0.10 0.21 2.71 -0.85 0.24 -0.27 117.35 118.10 3bpf s TYR 199 Ca 0.27 0.13 -0.14 0.00 -0.52 0.00 0.00 57.07 56.80 3bpf s TYR 199 Cb -0.16 0.05 -0.08 0.00 0.38 0.00 0.00 41.96 42.15 3bpf s TYR 199 CO 0.15 -0.35 0.62 0.71 -1.52 0.00 0.00 175.55 175.15 3bpf s TYR 200 N -1.33 3.53 -0.25 -3.49 2.02 -0.14 0.30 117.35 117.99 3bpf s TYR 200 Ca -0.14 1.11 -0.13 0.00 -0.37 0.00 0.00 57.07 57.55 3bpf s TYR 200 Cb -0.06 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3bpf s TYR 200 CO 0.03 0.31 0.27 0.42 -1.57 0.00 0.00 175.55 175.01 3bpf s ILE 201 N -1.65 5.27 -0.09 2.71 1.01 0.30 -1.27 121.20 127.48 3bpf s ILE 201 Ca 0.44 0.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 3bpf s ILE 201 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3bpf s ILE 201 CO 0.20 0.26 -0.02 -0.63 0.00 0.00 0.00 174.94 174.75 3bpf s ILE 202 N 1.54 4.16 -0.18 2.92 -1.09 0.13 -1.95 121.20 126.73 3bpf s ILE 202 Ca 0.11 -0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 3bpf s ILE 202 Cb -0.15 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3bpf s ILE 202 CO 0.08 0.59 0.21 -0.75 -1.23 0.00 0.00 174.94 173.85 3bpf s LYS 203 N -0.75 4.19 0.44 2.79 2.20 -0.81 -0.16 119.74 127.64 3bpf s LYS 203 Ca 0.12 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.74 3bpf s LYS 203 Cb -0.11 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3bpf s LYS 203 CO 0.02 0.29 0.23 1.21 -0.36 0.00 0.00 175.35 176.74 3bpf s ASN 204 N 0.34 4.52 -0.28 1.43 3.84 -1.13 -2.23 114.94 121.44 3bpf s ASN 204 Ca 0.12 -1.08 0.08 0.00 0.21 0.00 0.00 52.86 52.19 3bpf s ASN 204 Cb -0.12 -0.33 0.45 0.00 -0.55 0.00 0.00 41.25 40.71 3bpf s ASN 204 CO 0.01 -0.65 1.21 -1.54 -2.79 0.00 0.00 177.10 173.35 3bpf n SER 205 N -1.35 4.20 -0.66 -4.21 3.41 -1.26 -4.43 113.62 109.32 3bpf n SER 205 Ca -0.01 -3.79 0.08 0.00 -0.26 0.00 0.00 58.87 54.88 3bpf n SER 205 Cb 0.64 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.81 0.64 0.00 7.33 8.01 -1.19 -0.99 117.44 130.43 3bpf n TRP 206 Ca 0.38 -1.01 0.00 0.00 -1.31 0.00 0.00 57.50 55.56 3bpf n TRP 206 Cb 0.90 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.92 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 -0.88 -1.28 0.22 6.99 0.00 -0.60 -4.40 105.19 105.25 3bpf n GLY 207 Ca 0.21 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 0.00 -0.74 1.61 4.20 -1.83 -1.69 115.11 116.65 3bpf h GLN 208 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 3bpf h GLN 208 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3bpf h GLN 208 CO 0.00 0.25 0.50 -0.56 -0.67 0.00 0.00 178.83 178.35 3bpf h GLN 209 N 0.00 0.32 -6.70 1.46 -0.00 -1.91 -2.78 115.11 105.50 3bpf h GLN 209 Ca -0.00 -0.02 -0.50 0.00 -0.00 0.00 0.00 58.65 58.13 3bpf h GLN 209 Cb 0.58 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 3bpf h GLN 209 CO 0.03 0.21 0.38 -0.46 -0.00 0.00 0.00 178.83 178.99 3bpf s TRP 210 N -5.32 3.86 0.00 0.06 -0.00 -0.64 -4.84 118.94 112.06 3bpf s TRP 210 Ca -0.07 1.84 0.00 0.00 -0.00 0.00 0.00 56.10 57.86 3bpf s TRP 210 Cb 0.21 -3.06 0.00 0.00 -0.00 0.00 0.00 33.47 30.62 3bpf s TRP 210 CO 0.76 0.19 0.00 0.41 -0.00 0.00 0.00 176.95 178.31 3bpf n GLY 211 N 1.72 1.26 3.59 5.86 0.00 -1.25 0.05 105.19 116.41 3bpf n GLY 211 Ca -0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3bpf n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bpf s GLU 212 N 0.00 3.65 0.00 1.61 2.02 -0.73 -4.22 118.70 121.04 3bpf s GLU 212 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.39 3bpf s GLU 212 Cb 0.00 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.32 3bpf s GLU 212 CO 0.00 -1.30 0.00 -2.13 0.02 0.00 0.00 175.26 171.85 3bpf n ARG 213 N 7.51 -0.93 0.00 1.61 0.63 -1.25 0.13 116.66 124.36 3bpf n ARG 213 Ca 0.09 -0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3bpf n ARG 213 Cb 0.49 0.41 0.00 0.00 0.45 0.00 0.00 32.46 33.81 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 -0.87 3.05 3.90 5.14 0.00 0.11 -4.69 105.19 111.83 3bpf n GLY 214 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.42 2.39 -0.09 1.61 0.40 0.35 -2.83 117.98 118.39 3bpf s PHE 215 Ca 0.00 0.59 -0.25 0.00 -0.60 0.00 0.00 56.93 56.67 3bpf s PHE 215 Cb 0.00 -3.73 0.06 0.00 0.51 0.00 0.00 43.02 39.86 3bpf s PHE 215 CO 0.00 -2.16 0.58 -1.50 0.70 0.00 0.00 175.22 172.85 3bpf s ILE 216 N -3.68 0.01 -0.25 0.64 2.07 0.77 -1.77 121.20 119.00 3bpf s ILE 216 Ca 0.67 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.76 3bpf s ILE 216 Cb -0.08 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.63 3bpf s ILE 216 CO 0.51 -0.06 -0.00 0.20 -1.91 0.00 0.00 174.94 173.68 3bpf s ASN 217 N -0.84 4.60 -0.13 4.50 0.01 -1.25 0.18 114.94 122.02 3bpf s ASN 217 Ca -0.09 -0.62 -0.05 0.00 -0.71 0.00 0.00 52.86 51.39 3bpf s ASN 217 Cb -0.02 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 3bpf s ASN 217 CO 0.06 -0.11 0.04 -0.63 -1.51 0.00 0.00 177.10 174.95 3bpf s ILE 218 N 1.45 4.58 0.59 0.60 1.01 -0.39 0.14 121.20 129.17 3bpf s ILE 218 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 3bpf s ILE 218 Cb -0.16 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 3bpf s ILE 218 CO -0.02 0.55 0.75 1.21 0.00 0.00 0.00 174.94 177.43 3bpf n GLU 219 N 2.74 0.69 0.00 2.79 2.13 -0.95 -0.97 120.64 127.07 3bpf n GLU 219 Ca -0.18 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3bpf n GLU 219 Cb 0.53 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.30 3bpf n GLU 219 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3bpf n THR 220 N -1.75 0.00 -4.43 6.31 5.66 0.62 -4.50 114.28 116.19 3bpf n THR 220 Ca 0.13 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.91 3bpf n THR 220 Cb 0.48 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.16 3bpf n THR 220 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3bpf s ASP 221 N 1.93 2.22 0.17 1.09 -4.77 -1.26 -4.35 116.67 111.70 3bpf s ASP 221 Ca 0.00 -1.56 -0.14 0.00 -3.30 0.00 0.00 52.55 47.55 3bpf s ASP 221 Cb 0.00 0.32 0.13 0.00 -1.09 0.00 0.00 42.92 42.28 3bpf s ASP 221 CO 0.00 -0.84 1.74 -0.08 0.70 0.00 0.00 175.17 176.70 3bpf h GLU 222 N 2.02 0.29 -0.85 2.11 4.81 -1.94 -1.76 114.58 119.27 3bpf h GLU 222 Ca -0.36 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3bpf h GLU 222 Cb 1.26 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 3bpf h GLU 222 CO 0.58 0.19 0.49 0.66 -0.73 0.00 0.00 179.01 180.20 3bpf h SER 223 N 0.30 1.03 -0.18 1.04 4.64 -1.97 -3.44 113.55 114.97 3bpf h SER 223 Ca 0.21 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3bpf h SER 223 Cb 0.22 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3bpf h SER 223 CO -0.23 0.81 -0.03 0.61 -0.87 0.00 0.00 176.83 177.12 3bpf n GLY 224 N -1.22 0.35 0.12 -0.77 0.00 -0.66 -4.72 105.19 98.29 3bpf n GLY 224 Ca 0.09 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 -9.10 0.99 3.38 -1.89 -3.42 115.31 105.27 3bpf h LEU 225 Ca -0.03 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 3bpf h LEU 225 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3bpf h LEU 225 CO 0.04 0.42 0.92 -0.32 0.09 0.00 0.00 178.44 179.60 3bpf s MET 226 N -3.02 4.15 -0.29 1.13 1.75 -1.26 -4.99 119.30 116.77 3bpf s MET 226 Ca 0.01 1.56 0.02 0.00 -1.25 0.00 0.00 55.69 56.03 3bpf s MET 226 Cb 0.08 -3.80 0.08 0.00 2.84 0.00 0.00 34.83 34.04 3bpf s MET 226 CO 0.77 -0.81 0.01 1.03 -0.65 0.00 0.00 175.02 175.37 3bpf s ARG 227 N 3.68 1.42 -0.06 4.11 0.52 -1.26 -4.55 118.95 122.81 3bpf s ARG 227 Ca 0.55 -1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 3bpf s ARG 227 Cb -0.20 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 3bpf s ARG 227 CO 0.17 -0.81 0.79 0.21 0.02 0.00 0.00 175.30 175.68 3bpf s LYS 228 N 1.24 4.45 -0.79 3.54 2.20 -1.26 -3.84 119.74 125.28 3bpf s LYS 228 Ca 0.03 1.04 -0.03 0.00 -0.36 0.00 0.00 55.97 56.66 3bpf s LYS 228 Cb -0.19 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 3bpf s LYS 228 CO -0.11 -0.02 0.71 0.00 -0.36 0.00 0.00 175.35 175.57 3bpf n GLY 230 N -1.44 -0.01 3.51 0.00 0.00 -1.25 -2.97 105.19 103.04 3bpf n GLY 230 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.92 0.60 -0.16 0.99 -0.00 -1.15 0.11 117.00 116.46 3bpf n LEU 231 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 56.01 56.08 3bpf n LEU 231 Cb 0.01 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 3bpf n LEU 231 CO 0.00 -0.85 -0.01 0.61 -0.00 0.00 0.00 177.39 177.14 3bpf n GLY 232 N 6.43 0.42 0.30 -3.96 0.00 -0.91 -4.84 105.19 102.64 3bpf n GLY 232 Ca 0.62 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.01 0.86 -3.54 2.61 1.35 0.51 -3.37 112.91 111.32 3bpf h THR 233 Ca -0.02 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.18 3bpf h THR 233 Cb 1.01 0.91 -0.23 0.00 -1.73 0.00 0.00 68.15 68.12 3bpf h THR 233 CO 0.02 0.00 -0.72 -1.81 -0.25 0.00 0.00 175.52 172.76 3bpf s ASP 234 N -6.68 4.39 -0.23 5.36 1.01 -1.26 -4.90 116.67 114.36 3bpf s ASP 234 Ca -0.05 -0.17 -0.08 0.00 0.71 0.00 0.00 52.55 52.97 3bpf s ASP 234 Cb 0.18 -1.39 0.10 0.00 1.01 0.00 0.00 42.92 42.82 3bpf s ASP 234 CO 0.67 0.26 0.49 0.00 0.21 0.00 0.00 175.17 176.79 3bpf s ALA 235 N -0.18 -1.42 0.06 5.23 0.00 -1.26 -1.84 121.76 122.36 3bpf s ALA 235 Ca 0.01 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.75 3bpf s ALA 235 Cb -0.13 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3bpf s ALA 235 CO 0.03 -0.80 -0.09 -0.06 0.00 0.00 0.00 175.76 174.83 3bpf s PHE 236 N 2.69 0.85 -0.03 0.00 0.40 0.04 -0.79 117.98 121.14 3bpf s PHE 236 Ca -0.03 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 3bpf s PHE 236 Cb -0.12 -0.49 0.02 0.00 0.51 0.00 0.00 43.02 42.94 3bpf s PHE 236 CO -0.15 -0.05 -0.02 -1.50 0.70 0.00 0.00 175.22 174.20 3bpf s ILE 237 N -1.62 0.32 0.27 0.64 2.07 -0.84 -0.92 121.20 121.11 3bpf s ILE 237 Ca -0.05 -0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 3bpf s ILE 237 Cb -0.08 -0.36 -0.09 0.00 0.13 0.00 0.00 42.46 42.05 3bpf s ILE 237 CO 0.00 0.16 1.04 -2.16 -1.91 0.00 0.00 174.94 172.08 3bpf s PRO 238 N 0.76 4.71 -0.18 3.50 0.04 -1.26 -2.13 135.00 140.43 3bpf s PRO 238 Ca -0.09 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 3bpf s PRO 238 Cb -0.12 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3bpf s PRO 238 CO -0.01 0.32 0.09 -0.51 0.04 0.00 0.00 177.00 176.93 3bpf s LEU 239 N -1.36 3.98 -0.15 -3.56 1.02 0.11 -4.94 118.68 113.78 3bpf s LEU 239 Ca 0.43 0.15 0.17 0.00 0.02 0.00 0.00 54.13 54.91 3bpf s LEU 239 Cb -0.30 -2.01 0.34 0.00 0.02 0.00 0.00 46.19 44.24 3bpf s LEU 239 CO 0.38 0.19 1.20 2.30 0.02 0.00 0.00 176.35 180.44 3bpf n ILE 240 N 3.44 2.00 -1.27 -0.59 -5.35 -1.26 -1.36 119.36 114.97 3bpf n ILE 240 Ca -0.17 -2.37 0.00 0.00 -0.27 0.00 0.00 62.75 59.94 3bpf n ILE 240 Cb 0.52 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 3bpf n ILE 240 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00