#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpf s MET 2 N 0.00 0.38 -0.04 3.69 1.75 -1.26 -4.87 119.30 118.95 3bpf s MET 2 Ca 0.00 0.59 -0.30 0.00 -1.25 0.00 0.00 55.69 54.73 3bpf s MET 2 Cb 0.00 0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 3bpf s MET 2 CO 0.00 -0.07 0.97 1.21 -0.65 0.00 0.00 175.02 176.49 3bpf s ASN 3 N 1.00 7.31 -0.01 1.11 3.84 -1.26 -4.39 114.94 122.53 3bpf s ASN 3 Ca -0.05 1.59 -0.25 0.00 0.21 0.00 0.00 52.86 54.36 3bpf s ASN 3 Cb -0.04 -2.56 -0.18 0.00 -0.55 0.00 0.00 41.25 37.92 3bpf s ASN 3 CO -0.13 -0.31 1.21 0.22 -2.79 0.00 0.00 177.10 175.30 3bpf h TYR 4 N 6.90 -0.15 -0.28 0.43 3.20 -1.99 -2.03 116.97 123.05 3bpf h TYR 4 Ca -0.38 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.45 3bpf h TYR 4 Cb 1.20 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 3bpf h TYR 4 CO 0.69 0.26 0.02 0.93 -1.64 0.00 0.00 178.16 178.42 3bpf h GLU 5 N -0.61 0.42 -0.19 1.82 4.39 -1.96 0.41 114.58 118.86 3bpf h GLU 5 Ca -0.02 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 3bpf h GLU 5 Cb 0.48 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3bpf h GLU 5 CO 0.03 0.43 -0.22 1.49 -1.16 0.00 0.00 179.01 179.58 3bpf h GLU 6 N 0.41 0.48 0.86 2.33 4.81 -1.99 -2.90 114.58 118.58 3bpf h GLU 6 Ca 0.09 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3bpf h GLU 6 Cb 0.24 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.65 3bpf h GLU 6 CO 0.00 0.85 -0.41 0.28 -0.73 0.00 0.00 179.01 179.00 3bpf h VAL 7 N 0.13 0.00 -0.82 0.32 2.07 -0.46 -3.16 116.25 114.33 3bpf h VAL 7 Ca 0.03 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.61 3bpf h VAL 7 Cb 0.78 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3bpf h VAL 7 CO 0.05 0.00 0.55 -0.29 0.02 0.00 0.00 177.57 177.91 3bpf h ILE 8 N -1.27 0.70 -0.06 4.57 6.09 -0.35 0.95 117.51 128.15 3bpf h ILE 8 Ca -0.12 -0.11 -0.05 0.00 -1.37 0.00 0.00 64.86 63.21 3bpf h ILE 8 Cb 0.88 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 3bpf h ILE 8 CO 0.19 0.06 -0.20 0.50 -3.07 0.00 0.00 178.15 175.63 3bpf h LYS 9 N 0.32 0.09 -0.07 2.19 3.64 -1.48 0.12 116.57 121.38 3bpf h LYS 9 Ca 0.41 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3bpf h LYS 9 Cb 1.13 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3bpf h LYS 9 CO -0.12 0.30 -0.02 0.87 -2.27 0.00 0.00 179.45 178.21 3bpf h LYS 10 N 0.09 0.14 -0.09 1.90 1.57 -0.81 -2.52 116.57 116.85 3bpf h LYS 10 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3bpf h LYS 10 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3bpf h LYS 10 CO 0.03 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 180.03 3bpf n TYR 11 N -4.81 0.10 0.09 -1.35 4.01 -0.94 -4.46 117.16 109.80 3bpf n TYR 11 Ca -0.07 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3bpf n TYR 11 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.29 0.00 0.00 -0.72 0.63 -0.01 -4.80 116.66 112.05 3bpf n ARG 12 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 3bpf n ARG 12 Cb 0.35 -0.31 0.00 0.00 0.45 0.00 0.00 32.46 32.95 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 2.73 2.07 2.09 5.14 0.00 -0.95 -3.12 105.19 113.15 3bpf n GLY 13 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3bpf n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bpf n GLU 14 N 8.85 2.36 -2.85 1.61 4.07 -1.26 -4.93 120.64 128.48 3bpf n GLU 14 Ca 0.00 -3.62 -0.41 0.00 -0.06 0.00 0.00 57.16 53.06 3bpf n GLU 14 Cb 0.00 -1.74 -0.04 0.00 -0.06 0.00 0.00 31.44 29.60 3bpf n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3bpf s GLU 15 N -3.28 4.41 0.84 5.31 2.12 -1.18 -5.05 118.70 121.87 3bpf s GLU 15 Ca 0.39 1.14 -0.12 0.00 0.36 0.00 0.00 54.97 56.74 3bpf s GLU 15 Cb 0.37 -3.51 0.10 0.00 0.26 0.00 0.00 34.13 31.34 3bpf s GLU 15 CO -0.02 -0.17 1.11 1.21 -0.54 0.00 0.00 175.26 176.85 3bpf s ASN 16 N 1.03 4.10 0.14 -1.70 2.47 -1.26 -5.03 114.94 114.68 3bpf s ASN 16 Ca 0.43 1.19 -0.11 0.00 0.42 0.00 0.00 52.86 54.79 3bpf s ASN 16 Cb -0.18 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 3bpf s ASN 16 CO 0.18 -2.20 0.30 0.72 -3.72 0.00 0.00 177.10 172.38 3bpf s PHE 17 N -3.19 0.18 -0.34 0.43 -0.71 -1.26 -5.13 117.98 107.96 3bpf s PHE 17 Ca 0.62 -0.55 -0.27 0.00 -1.04 0.00 0.00 56.93 55.68 3bpf s PHE 17 Cb -0.15 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 3bpf s PHE 17 CO 0.54 -0.69 1.00 0.34 -1.34 0.00 0.00 175.22 175.07 3bpf s ASP 18 N -2.90 6.81 0.47 1.98 -1.08 -1.26 -4.90 116.67 115.79 3bpf s ASP 18 Ca 0.11 0.84 0.26 0.00 -0.52 0.00 0.00 52.55 53.24 3bpf s ASP 18 Cb 0.03 -2.50 0.69 0.00 -1.46 0.00 0.00 42.92 39.67 3bpf s ASP 18 CO -0.05 -0.86 1.73 0.45 0.52 0.00 0.00 175.17 176.97 3bpf h HIS 19 N 8.26 0.00 -0.27 -5.34 3.86 -2.00 -3.26 115.15 116.40 3bpf h HIS 19 Ca -0.22 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.92 3bpf h HIS 19 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 3bpf h HIS 19 CO 0.83 0.02 -0.12 0.00 0.86 0.00 0.00 177.93 179.52 3bpf h ALA 20 N 1.98 0.38 -2.29 2.45 0.00 -1.90 -3.46 119.26 116.43 3bpf h ALA 20 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3bpf h ALA 20 Cb 0.84 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.30 3bpf h ALA 20 CO 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.28 3bpf s ALA 21 N -4.63 -1.54 -0.07 0.00 0.00 -1.23 -2.94 121.76 111.35 3bpf s ALA 21 Ca -0.13 1.93 -0.10 0.00 0.00 0.00 0.00 51.96 53.66 3bpf s ALA 21 Cb 0.08 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3bpf s ALA 21 CO 0.78 -0.66 0.26 -0.47 0.00 0.00 0.00 175.76 175.67 3bpf s TYR 22 N 2.33 -0.23 -0.34 0.00 5.04 -0.28 -4.74 117.35 119.12 3bpf s TYR 22 Ca -0.06 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 3bpf s TYR 22 Cb -0.10 0.08 0.14 0.00 0.35 0.00 0.00 41.96 42.43 3bpf s TYR 22 CO -0.16 -0.19 0.29 0.34 -1.34 0.00 0.00 175.55 174.49 3bpf s ASP 23 N -0.25 1.98 0.62 4.32 3.68 -1.26 0.10 116.67 125.86 3bpf s ASP 23 Ca -0.04 -1.50 0.33 0.00 2.13 0.00 0.00 52.55 53.47 3bpf s ASP 23 Cb -0.03 0.22 1.86 0.00 -1.45 0.00 0.00 42.92 43.52 3bpf s ASP 23 CO 0.01 -0.32 2.16 -0.50 0.13 0.00 0.00 175.17 176.65 3bpf h TRP 24 N 7.48 0.00 -0.69 -5.34 4.06 -1.68 0.26 115.95 120.05 3bpf h TRP 24 Ca -0.02 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.06 3bpf h TRP 24 Cb 1.03 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.10 3bpf h TRP 24 CO 0.34 0.00 0.23 0.00 -3.56 0.00 0.00 178.44 175.45 3bpf h ARG 25 N 0.00 0.37 0.00 0.49 3.08 -1.90 -2.08 114.38 114.33 3bpf h ARG 25 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3bpf h ARG 25 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3bpf h ARG 25 CO -0.00 0.24 0.00 1.28 -1.07 0.00 0.00 179.97 180.42 3bpf n LEU 26 N -5.05 0.31 -2.61 3.04 4.77 0.92 -3.97 117.00 114.41 3bpf n LEU 26 Ca 0.12 0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 56.47 3bpf n LEU 26 Cb 0.37 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3bpf n LEU 26 CO 0.18 -0.31 0.05 1.41 -1.33 0.00 0.00 177.39 177.39 3bpf n HIS 27 N -1.82 2.43 -3.28 -1.77 8.25 -0.82 -4.97 115.22 113.24 3bpf n HIS 27 Ca 0.04 -3.07 -0.24 0.00 -0.26 0.00 0.00 57.72 54.19 3bpf n HIS 27 Cb 0.24 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.27 -5.50 -0.00 0.41 2.88 -1.24 -4.87 113.62 105.02 3bpf n SER 28 Ca 0.26 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3bpf n SER 28 Cb 0.71 -4.44 -0.01 0.00 -0.75 0.00 0.00 64.21 59.72 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 -1.54 -0.08 3.24 0.46 0.00 -0.97 -3.94 105.19 102.36 3bpf n GLY 29 Ca -0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.08 2.96 0.96 1.61 1.01 -1.22 -4.23 120.40 119.40 3bpf s VAL 30 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3bpf s VAL 30 Cb 0.01 -2.35 0.17 0.00 0.00 0.00 0.00 36.38 34.21 3bpf s VAL 30 CO 0.07 0.42 1.10 0.42 0.00 0.00 0.00 175.10 177.11 3bpf s THR 31 N 1.41 2.36 0.79 3.92 -4.23 -1.26 -4.89 115.64 113.74 3bpf s THR 31 Ca 0.05 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3bpf s THR 31 Cb -0.14 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.44 3bpf s THR 31 CO -0.06 -0.15 1.09 -2.16 -0.54 0.00 0.00 174.62 172.79 3bpf s PRO 32 N -4.71 2.12 0.23 3.99 0.04 -1.26 -5.00 135.00 130.42 3bpf s PRO 32 Ca 0.66 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3bpf s PRO 32 Cb -0.21 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3bpf s PRO 32 CO 0.59 -1.69 1.03 0.54 0.04 0.00 0.00 177.00 177.52 3bpf s VAL 33 N -2.97 3.84 0.21 -0.36 0.11 -1.26 -5.07 120.40 114.90 3bpf s VAL 33 Ca 0.61 1.77 0.01 0.00 -2.93 0.00 0.00 61.98 61.44 3bpf s VAL 33 Cb -0.16 -4.13 0.04 0.00 -1.53 0.00 0.00 36.38 30.60 3bpf s VAL 33 CO 0.56 0.39 0.29 0.29 -3.33 0.00 0.00 175.10 173.29 3bpf n LYS 34 N 1.64 0.51 -3.59 1.54 5.02 -1.26 -4.68 118.16 117.35 3bpf n LYS 34 Ca -0.00 -0.84 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 3bpf n LYS 34 Cb 0.46 -0.17 -0.17 0.00 -0.02 0.00 0.00 35.03 35.14 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 -2.19 2.64 0.28 4.39 3.68 -1.26 -2.56 116.67 121.65 3bpf s ASP 35 Ca 0.19 -0.78 0.08 0.00 2.13 0.00 0.00 52.55 54.18 3bpf s ASP 35 Cb -0.01 -0.27 0.38 0.00 -1.45 0.00 0.00 42.92 41.57 3bpf s ASP 35 CO 0.13 -0.37 1.63 0.06 0.13 0.00 0.00 175.17 176.75 3bpf h GLN 36 N 8.42 0.10 -3.37 4.34 3.07 -1.58 -3.46 115.11 122.62 3bpf h GLN 36 Ca -0.16 -0.06 -0.39 0.00 0.09 0.00 0.00 58.65 58.13 3bpf h GLN 36 Cb 1.12 0.01 0.06 0.00 0.08 0.00 0.00 27.48 28.74 3bpf h GLN 36 CO 0.33 0.63 -0.25 1.17 0.09 0.00 0.00 178.83 180.80 3bpf n LYS 37 N -3.89 0.00 -1.46 0.06 4.81 -1.25 -3.39 118.16 113.05 3bpf n LYS 37 Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.39 3bpf n LYS 37 Cb 0.57 -0.61 -0.01 0.00 0.02 0.00 0.00 35.03 35.01 3bpf n LYS 37 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3bpf n ASN 38 N 1.08 -2.71 -3.63 3.14 5.15 -1.26 -4.89 115.26 112.13 3bpf n ASN 38 Ca 0.10 0.04 -0.05 0.00 -0.60 0.00 0.00 54.58 54.08 3bpf n ASN 38 Cb 0.13 -1.11 -0.06 0.00 -0.53 0.00 0.00 39.78 38.21 3bpf n ASN 38 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bpf n GLY 40 N 4.52 3.08 0.16 0.00 0.00 -1.05 -4.56 105.19 107.35 3bpf n GLY 40 Ca -0.18 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 7.99 1.93 -0.28 1.61 3.41 -1.26 -2.47 113.62 124.54 3bpf n SER 41 Ca 0.50 -1.71 0.31 0.00 -0.26 0.00 0.00 58.87 57.71 3bpf n SER 41 Cb 0.42 -0.04 0.70 0.00 -0.26 0.00 0.00 64.21 65.02 3bpf n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bpf h TRP 43 N 0.08 0.73 -0.16 0.00 5.08 -1.87 0.20 115.95 120.01 3bpf h TRP 43 Ca 0.53 0.01 -0.16 0.00 1.08 0.00 0.00 58.89 60.36 3bpf h TRP 43 Cb 1.96 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.88 3bpf h TRP 43 CO -0.00 0.47 -0.51 0.00 -1.28 0.00 0.00 178.44 177.12 3bpf h ALA 44 N 1.20 0.28 -0.81 0.11 0.00 -0.14 -0.47 119.26 119.44 3bpf h ALA 44 Ca 0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3bpf h ALA 44 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3bpf h ALA 44 CO -0.04 0.47 0.48 0.74 0.00 0.00 0.00 179.25 180.89 3bpf h PHE 45 N 0.30 1.07 -0.18 0.00 -1.00 -1.16 -0.52 116.94 115.46 3bpf h PHE 45 Ca -0.02 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 3bpf h PHE 45 Cb 1.13 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 3bpf h PHE 45 CO 0.10 0.72 -0.27 1.03 -1.61 0.00 0.00 178.31 178.28 3bpf h SER 46 N 1.11 0.55 0.17 2.17 0.87 -0.58 -2.17 113.55 115.67 3bpf h SER 46 Ca 0.29 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3bpf h SER 46 Cb -0.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3bpf h SER 46 CO -0.05 0.97 -0.18 -1.28 -0.53 0.00 0.00 176.83 175.75 3bpf h SER 47 N 0.15 -0.51 -0.60 6.23 0.87 -0.87 -2.91 113.55 115.91 3bpf h SER 47 Ca 0.02 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3bpf h SER 47 Cb 0.85 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.92 3bpf h SER 47 CO 0.06 -0.24 0.28 0.16 -0.53 0.00 0.00 176.83 176.57 3bpf h ILE 48 N -0.36 0.89 -0.89 2.23 -0.00 -1.21 -2.34 117.51 115.84 3bpf h ILE 48 Ca -0.02 -0.18 0.18 0.00 -0.00 0.00 0.00 64.86 64.84 3bpf h ILE 48 Cb 0.31 0.32 -0.07 0.00 -0.00 0.00 0.00 36.82 37.38 3bpf h ILE 48 CO -0.03 0.09 0.58 1.23 -0.00 0.00 0.00 178.15 180.03 3bpf h GLY 49 N 0.52 0.99 1.21 0.16 0.00 -1.37 0.43 103.07 105.00 3bpf h GLY 49 Ca 0.28 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 3bpf h GLY 49 CO -0.22 0.02 -0.33 1.76 0.00 0.00 0.00 176.54 177.77 3bpf h SER 50 N 0.49 0.92 0.60 0.19 0.02 -1.21 -2.09 113.55 112.47 3bpf h SER 50 Ca 0.46 -0.39 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 3bpf h SER 50 Cb 1.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3bpf h SER 50 CO -0.19 1.16 -0.64 -0.37 -1.14 0.00 0.00 176.83 175.65 3bpf h VAL 51 N 0.73 1.45 -0.03 2.27 -1.51 -0.25 -0.52 116.25 118.40 3bpf h VAL 51 Ca 0.07 -2.18 0.03 0.00 -1.23 0.00 0.00 66.70 63.40 3bpf h VAL 51 Cb 0.90 2.17 -0.04 0.00 -2.13 0.00 0.00 31.29 32.18 3bpf h VAL 51 CO 0.08 0.62 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.51 3bpf h GLU 52 N 0.03 -0.31 -0.91 5.19 5.08 -0.44 -1.85 114.58 121.37 3bpf h GLU 52 Ca -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3bpf h GLU 52 Cb 1.14 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3bpf h GLU 52 CO 0.09 -0.20 0.53 0.77 -1.00 0.00 0.00 179.01 179.19 3bpf h SER 53 N -0.32 1.10 0.00 1.42 0.02 -1.09 -2.43 113.55 112.25 3bpf h SER 53 Ca 0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3bpf h SER 53 Cb 0.41 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3bpf h SER 53 CO -0.21 0.86 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 3bpf n GLN 54 N -4.37 0.87 -0.09 3.45 1.13 -0.23 -0.78 117.38 117.36 3bpf n GLN 54 Ca 0.10 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 3bpf n GLN 54 Cb 0.07 -1.26 -0.14 0.00 0.11 0.00 0.00 30.24 29.02 3bpf n GLN 54 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3bpf n TYR 55 N -0.76 0.00 -0.04 1.08 4.02 -0.73 -4.15 117.16 116.57 3bpf n TYR 55 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.86 3bpf n TYR 55 Cb 0.05 -0.90 -0.08 0.00 -0.02 0.00 0.00 39.34 38.39 3bpf n TYR 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3bpf h ALA 56 N 0.84 0.17 0.04 -0.72 0.00 -0.65 -1.23 119.26 117.71 3bpf h ALA 56 Ca -0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 3bpf h ALA 56 Cb 2.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3bpf h ALA 56 CO 0.02 0.10 -0.02 0.82 0.00 0.00 0.00 179.25 180.17 3bpf h ILE 57 N -0.12 1.14 0.00 0.00 2.04 -1.08 -2.67 117.51 116.82 3bpf h ILE 57 Ca 0.01 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3bpf h ILE 57 Cb 0.77 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3bpf h ILE 57 CO 0.04 0.36 0.00 0.03 0.00 0.00 0.00 178.15 178.58 3bpf h ARG 58 N -0.94 0.00 0.00 2.37 2.47 -1.72 -3.36 114.38 113.21 3bpf h ARG 58 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3bpf h ARG 58 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3bpf h ARG 58 CO 0.01 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.17 3bpf n LYS 59 N -2.91 0.60 -3.04 0.04 5.02 -0.54 -5.03 118.16 112.29 3bpf n LYS 59 Ca 0.04 -0.64 -0.22 0.00 -2.02 0.00 0.00 58.31 55.48 3bpf n LYS 59 Cb 0.49 -0.64 0.01 0.00 -0.02 0.00 0.00 35.03 34.88 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 -0.11 -5.00 -4.00 4.39 5.15 -0.72 -4.93 115.26 110.03 3bpf n ASN 60 Ca 0.00 -0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 53.42 3bpf n ASN 60 Cb 0.37 -4.09 -0.16 0.00 -0.53 0.00 0.00 39.78 35.37 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 -5.70 2.09 -0.30 1.20 2.47 -0.79 -4.96 119.74 113.74 3bpf s LYS 61 Ca 0.29 -0.85 -0.29 0.00 -1.56 0.00 0.00 55.97 53.55 3bpf s LYS 61 Cb -0.14 -2.43 0.01 0.00 -1.46 0.00 0.00 37.83 33.81 3bpf s LYS 61 CO 0.35 -0.42 1.12 -1.17 0.16 0.00 0.00 175.35 175.39 3bpf s LEU 62 N 1.38 3.95 0.12 5.43 0.20 -1.26 -3.23 118.68 125.27 3bpf s LEU 62 Ca -0.01 1.13 0.03 0.00 0.69 0.00 0.00 54.13 55.97 3bpf s LEU 62 Cb -0.16 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 3bpf s LEU 62 CO -0.08 -0.89 -0.09 0.27 -0.29 0.00 0.00 176.35 175.27 3bpf s ILE 63 N 3.72 0.93 -0.17 6.68 -4.36 -1.26 -5.09 121.20 121.65 3bpf s ILE 63 Ca 0.47 -1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 3bpf s ILE 63 Cb -0.14 -1.70 0.05 0.00 1.25 0.00 0.00 42.46 41.92 3bpf s ILE 63 CO 0.16 -0.77 -0.00 0.42 0.24 0.00 0.00 174.94 174.98 3bpf s THR 64 N -3.32 0.76 0.52 8.37 -4.23 -1.26 -4.81 115.64 111.67 3bpf s THR 64 Ca 0.13 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3bpf s THR 64 Cb 0.03 -1.11 0.04 0.00 1.34 0.00 0.00 72.50 72.80 3bpf s THR 64 CO -0.02 -0.04 0.72 -0.76 -0.54 0.00 0.00 174.62 173.98 3bpf s LEU 65 N 1.77 3.37 -1.08 4.79 1.43 -1.26 -0.10 118.68 127.60 3bpf s LEU 65 Ca -0.00 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3bpf s LEU 65 Cb -0.16 -2.64 0.27 0.00 0.03 0.00 0.00 46.19 43.69 3bpf s LEU 65 CO -0.07 -1.08 1.06 -0.94 0.23 0.00 0.00 176.35 175.54 3bpf s SER 66 N -4.44 7.11 0.37 2.29 1.04 0.19 -3.94 113.70 116.31 3bpf s SER 66 Ca 0.58 -3.61 0.20 0.00 0.48 0.00 0.00 55.95 53.60 3bpf s SER 66 Cb -0.10 -2.16 1.31 0.00 0.10 0.00 0.00 66.02 65.17 3bpf s SER 66 CO 0.37 -0.27 1.59 1.05 0.98 0.00 0.00 173.24 176.95 3bpf h GLU 67 N 6.58 0.03 -1.01 4.02 9.09 -1.87 0.14 114.58 131.56 3bpf h GLU 67 Ca 0.17 -0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.81 3bpf h GLU 67 Cb 0.87 -0.01 -0.11 0.00 -1.65 0.00 0.00 28.75 27.85 3bpf h GLU 67 CO 0.99 0.02 0.62 1.96 0.05 0.00 0.00 179.01 182.64 3bpf h GLN 68 N 0.03 0.58 -0.78 1.06 1.08 -1.88 0.89 115.11 116.08 3bpf h GLN 68 Ca 0.83 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 58.00 3bpf h GLN 68 Cb 2.17 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 29.43 3bpf h GLN 68 CO -0.76 0.38 0.49 1.49 -0.95 0.00 0.00 178.83 179.49 3bpf h GLU 69 N 0.59 1.05 0.50 1.46 4.81 -0.97 0.50 114.58 122.52 3bpf h GLU 69 Ca 0.61 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.73 3bpf h GLU 69 Cb 1.18 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3bpf h GLU 69 CO -0.40 0.72 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.29 3bpf h LEU 70 N 1.06 -0.57 -0.85 1.64 3.38 -0.98 1.03 115.31 120.03 3bpf h LEU 70 Ca 0.28 -0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.40 3bpf h LEU 70 Cb -0.08 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 40.67 3bpf h LEU 70 CO -0.06 -0.27 -0.01 0.58 0.09 0.00 0.00 178.44 178.77 3bpf h VAL 71 N -0.86 0.21 -0.19 1.22 2.07 -0.94 0.65 116.25 118.41 3bpf h VAL 71 Ca -0.07 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 3bpf h VAL 71 Cb 0.59 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3bpf h VAL 71 CO 0.11 0.01 -0.39 0.44 0.02 0.00 0.00 177.57 177.77 3bpf h ASP 72 N 0.07 0.67 0.00 0.57 5.19 0.23 -3.38 116.42 119.77 3bpf h ASP 72 Ca 0.48 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3bpf h ASP 72 Cb 0.88 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3bpf h ASP 72 CO -0.78 1.10 -0.41 0.00 -3.12 0.00 0.00 179.24 176.03 3bpf s SER 74 N -1.66 6.52 0.09 0.00 0.15 0.22 -4.87 113.70 114.15 3bpf s SER 74 Ca 0.01 0.32 0.23 0.00 0.70 0.00 0.00 55.95 57.22 3bpf s SER 74 Cb 0.04 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.96 3bpf s SER 74 CO 0.20 -1.38 1.14 0.49 1.20 0.00 0.00 173.24 174.89 3bpf n PHE 75 N 8.22 0.46 0.95 3.44 3.72 -1.26 -3.09 117.46 129.90 3bpf n PHE 75 Ca 0.11 0.13 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 3bpf n PHE 75 Cb 0.49 -0.59 0.51 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.11 0.28 -2.46 -1.08 5.02 -1.26 -4.83 118.16 111.73 3bpf n LYS 76 Ca 0.02 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3bpf n LYS 76 Cb 0.45 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3bpf n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bpf n ASN 77 N -1.29 2.19 -1.64 4.39 3.02 -1.18 -4.90 115.26 115.86 3bpf n ASN 77 Ca 0.09 -1.41 -0.02 0.00 -0.03 0.00 0.00 54.58 53.22 3bpf n ASN 77 Cb 0.16 0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.28 0.81 -2.12 3.10 4.01 -1.10 -4.99 117.16 116.59 3bpf n TYR 78 Ca -0.04 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.23 3bpf n TYR 78 Cb 0.12 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.43 2.89 0.33 2.72 0.00 -1.25 -1.51 105.19 107.93 3bpf n GLY 79 Ca 0.17 -0.23 0.21 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.24 4.26 -0.17 0.00 3.02 -0.57 -2.51 115.26 116.04 3bpf n ASN 81 Ca -0.03 -2.34 0.02 0.00 -0.03 0.00 0.00 54.58 52.21 3bpf n ASN 81 Cb 0.08 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 38.44 3bpf n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bpf n GLY 82 N 0.78 -1.54 0.00 7.41 0.00 -0.89 -4.78 105.19 106.16 3bpf n GLY 82 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.78 1.35 3.21 -0.02 0.00 -1.26 -2.72 105.19 103.97 3bpf n GLY 83 Ca -0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 2.34 0.02 0.99 1.43 -1.26 -4.83 118.68 117.38 3bpf s LEU 84 Ca 0.00 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.11 3bpf s LEU 84 Cb 0.00 -0.55 -0.15 0.00 0.03 0.00 0.00 46.19 45.52 3bpf s LEU 84 CO 0.00 -0.11 1.19 0.40 0.23 0.00 0.00 176.35 178.07 3bpf h ILE 85 N 3.88 0.00 -0.92 -0.59 2.04 -1.98 -2.41 117.51 117.52 3bpf h ILE 85 Ca -0.41 -0.19 0.23 0.00 1.00 0.00 0.00 64.86 65.50 3bpf h ILE 85 Cb 1.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 3bpf h ILE 85 CO 0.46 0.00 0.43 -0.55 0.00 0.00 0.00 178.15 178.49 3bpf h ASN 86 N -1.15 0.39 -0.56 1.72 -1.07 -1.98 0.94 115.58 113.87 3bpf h ASN 86 Ca -0.10 0.16 -0.03 0.00 0.07 0.00 0.00 56.30 56.40 3bpf h ASN 86 Cb 0.74 0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 37.08 3bpf h ASN 86 CO 0.16 -0.00 0.24 0.78 0.07 0.00 0.00 177.43 178.69 3bpf h ASN 87 N 0.42 0.79 0.85 6.14 4.21 -1.91 -1.40 115.58 124.67 3bpf h ASN 87 Ca 0.59 -0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.96 3bpf h ASN 87 Cb 1.13 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 3bpf h ASN 87 CO -0.53 0.71 -0.44 0.00 -1.29 0.00 0.00 177.43 175.87 3bpf h ALA 88 N 1.41 -1.20 -0.93 -0.83 0.00 -0.31 -2.40 119.26 115.00 3bpf h ALA 88 Ca 0.20 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3bpf h ALA 88 Cb 0.16 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3bpf h ALA 88 CO -0.02 -1.18 0.60 0.74 0.00 0.00 0.00 179.25 179.38 3bpf h PHE 89 N -1.19 1.00 -0.18 0.00 0.04 -1.18 0.47 116.94 115.90 3bpf h PHE 89 Ca -0.11 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.61 3bpf h PHE 89 Cb 0.93 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3bpf h PHE 89 CO -0.04 0.44 -0.21 1.49 -0.60 0.00 0.00 178.31 179.39 3bpf h GLU 90 N 0.91 0.32 0.00 1.51 4.81 -1.18 -1.79 114.58 119.16 3bpf h GLU 90 Ca 0.44 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3bpf h GLU 90 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3bpf h GLU 90 CO -0.20 0.52 -0.85 -0.44 -0.73 0.00 0.00 179.01 177.31 3bpf h ASP 91 N 0.29 0.00 -0.90 1.04 5.19 -0.29 -2.65 116.42 119.10 3bpf h ASP 91 Ca 0.05 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3bpf h ASP 91 Cb 0.54 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.99 3bpf h ASP 91 CO 0.04 0.47 0.56 0.24 -3.12 0.00 0.00 179.24 177.43 3bpf h MET 92 N 0.00 0.97 0.50 3.56 2.86 0.52 0.02 114.93 123.35 3bpf h MET 92 Ca -0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3bpf h MET 92 Cb 1.42 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3bpf h MET 92 CO 0.05 0.64 -0.24 0.82 1.06 0.00 0.00 176.91 179.24 3bpf h ILE 93 N 0.99 0.00 -0.79 -1.22 5.03 -1.28 -2.40 117.51 117.84 3bpf h ILE 93 Ca 0.40 -0.03 0.19 0.00 -0.12 0.00 0.00 64.86 65.30 3bpf h ILE 93 Cb 0.22 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.87 3bpf h ILE 93 CO -0.19 0.00 0.06 -0.33 -0.68 0.00 0.00 178.15 177.01 3bpf h GLU 94 N -0.70 0.12 -0.00 2.37 4.39 -1.30 0.33 114.58 119.80 3bpf h GLU 94 Ca -0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3bpf h GLU 94 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3bpf h GLU 94 CO 0.11 0.08 -0.00 1.28 -1.16 0.00 0.00 179.01 179.32 3bpf n LEU 95 N -5.32 0.03 -1.16 1.33 4.77 -0.02 -4.91 117.00 111.71 3bpf n LEU 95 Ca 0.16 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3bpf n LEU 95 Cb 0.53 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3bpf n LEU 95 CO 0.05 0.00 -0.14 0.61 -1.33 0.00 0.00 177.39 176.58 3bpf n GLY 96 N 1.04 0.77 0.00 -0.72 0.00 0.12 -4.83 105.19 101.57 3bpf n GLY 96 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.26 2.77 2.99 -0.02 0.00 -0.93 -4.64 105.19 104.10 3bpf n GLY 97 Ca -0.14 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.23 1.27 0.84 -0.61 1.09 0.26 -4.87 121.20 116.95 3bpf s ILE 98 Ca 0.00 -0.48 -0.14 0.00 -1.10 0.00 0.00 60.65 58.93 3bpf s ILE 98 Cb 0.00 -1.21 0.02 0.00 -1.06 0.00 0.00 42.46 40.21 3bpf s ILE 98 CO 0.00 0.40 0.61 0.00 -0.10 0.00 0.00 174.94 175.85 3bpf s PRO 100 N -3.42 3.34 0.55 0.00 0.04 -1.26 0.55 135.00 134.80 3bpf s PRO 100 Ca 0.63 1.95 0.32 0.00 0.04 0.00 0.00 61.00 63.94 3bpf s PRO 100 Cb -0.28 -2.23 1.59 0.00 0.04 0.00 0.00 34.50 33.62 3bpf s PRO 100 CO 0.61 -0.94 2.09 0.38 0.04 0.00 0.00 177.00 179.18 3bpf h ASP 101 N 1.54 0.00 0.31 6.66 2.03 -0.63 0.76 116.42 127.09 3bpf h ASP 101 Ca -0.50 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.78 3bpf h ASP 101 Cb 1.28 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3bpf h ASP 101 CO 0.58 0.08 -0.10 1.23 -1.03 0.00 0.00 179.24 179.99 3bpf h GLY 102 N 1.06 0.00 0.37 7.15 0.00 -1.92 -2.41 103.07 107.32 3bpf h GLY 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bpf h GLY 102 CO 0.01 0.00 -1.23 1.22 0.00 0.00 0.00 176.54 176.54 3bpf n ASP 103 N -3.70 0.56 -2.83 0.19 8.00 0.23 -4.74 116.55 114.26 3bpf n ASP 103 Ca -0.02 -0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.08 3bpf n ASP 103 Cb 0.22 1.08 0.04 0.00 -0.02 0.00 0.00 41.12 42.44 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 -1.97 -2.58 -1.44 1.24 -0.00 -1.01 -4.71 117.16 106.70 3bpf n TYR 104 Ca 0.01 -2.24 -0.30 0.00 -0.00 0.00 0.00 57.90 55.36 3bpf n TYR 104 Cb 0.45 1.22 0.09 0.00 -0.00 0.00 0.00 39.34 41.10 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 0.10 2.07 -0.39 2.98 0.04 -0.92 -4.54 135.00 134.34 3bpf s PRO 105 Ca 0.30 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 3bpf s PRO 105 Cb 0.25 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.91 3bpf s PRO 105 CO -0.16 -1.67 0.99 -0.47 0.04 0.00 0.00 177.00 175.73 3bpf s TYR 106 N -3.05 3.03 -2.54 0.56 5.04 -1.26 -4.83 117.35 114.29 3bpf s TYR 106 Ca 0.61 0.79 0.23 0.00 -2.44 0.00 0.00 57.07 56.26 3bpf s TYR 106 Cb -0.16 -3.83 0.47 0.00 0.35 0.00 0.00 41.96 38.80 3bpf s TYR 106 CO 0.55 -0.93 1.42 1.33 -1.34 0.00 0.00 175.55 176.59 3bpf n VAL 107 N 6.16 0.33 -4.86 3.14 0.24 -1.26 -5.07 118.33 117.01 3bpf n VAL 107 Ca 0.09 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3bpf n VAL 107 Cb 0.48 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3bpf n VAL 107 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3bpf n SER 108 N 1.18 0.00 0.12 -1.34 2.88 -1.26 -3.06 113.62 112.14 3bpf n SER 108 Ca 0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.81 3bpf n SER 108 Cb 0.54 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.47 3bpf n SER 108 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3bpf n ASP 109 N -0.42 0.48 -4.66 -3.46 5.75 -1.26 -4.66 116.55 108.32 3bpf n ASP 109 Ca 0.00 0.68 -0.46 0.00 -0.01 0.00 0.00 54.79 55.00 3bpf n ASP 109 Cb 0.00 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.29 3bpf n ASP 109 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bpf n ALA 110 N -1.72 1.10 -1.75 2.12 0.00 -1.17 -4.94 120.51 114.15 3bpf n ALA 110 Ca 0.00 0.44 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 3bpf n ALA 110 Cb 0.10 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.26 3bpf n ALA 110 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bpf s PRO 111 N 0.35 3.21 -0.21 0.00 0.04 -1.26 -4.89 135.00 132.24 3bpf s PRO 111 Ca 0.75 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 3bpf s PRO 111 Cb -0.69 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 31.93 3bpf s PRO 111 CO 0.43 -0.97 0.56 1.21 0.04 0.00 0.00 177.00 178.26 3bpf s ASN 112 N -1.77 -0.61 0.31 6.66 3.84 -1.26 -5.10 114.94 117.01 3bpf s ASN 112 Ca 0.74 1.14 -0.09 0.00 0.21 0.00 0.00 52.86 54.85 3bpf s ASN 112 Cb -0.26 1.13 -0.07 0.00 -0.55 0.00 0.00 41.25 41.51 3bpf s ASN 112 CO 0.29 -0.20 0.64 -0.76 -2.79 0.00 0.00 177.10 174.29 3bpf s LEU 113 N 0.51 4.03 -0.16 3.21 1.43 -1.26 -4.79 118.68 121.65 3bpf s LEU 113 Ca -0.02 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 3bpf s LEU 113 Cb -0.04 -3.80 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 3bpf s LEU 113 CO -0.02 -0.22 1.02 0.00 0.23 0.00 0.00 176.35 177.36 3bpf s ASN 115 N 1.14 2.24 0.00 0.00 3.84 -1.26 -5.01 114.94 115.89 3bpf s ASN 115 Ca 0.46 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 53.33 3bpf s ASN 115 Cb -0.17 -0.39 1.23 0.00 -0.55 0.00 0.00 41.25 41.37 3bpf s ASN 115 CO 0.13 -0.29 1.87 2.30 -2.79 0.00 0.00 177.10 178.31 3bpf n ILE 116 N 5.18 0.00 1.14 -5.21 -6.64 -1.26 -3.64 119.36 108.93 3bpf n ILE 116 Ca -0.07 -0.05 0.12 0.00 -1.77 0.00 0.00 62.75 60.98 3bpf n ILE 116 Cb 0.49 -0.13 0.23 0.00 -1.44 0.00 0.00 39.64 38.79 3bpf n ILE 116 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 3bpf n ASP 117 N -1.02 1.23 -0.83 7.28 8.00 -1.26 -4.44 116.55 125.51 3bpf n ASP 117 Ca 0.14 -0.99 0.01 0.00 0.71 0.00 0.00 54.79 54.65 3bpf n ASP 117 Cb 0.28 0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.74 3bpf n ASP 117 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3bpf n ARG 118 N -0.63 1.70 -3.91 -1.24 1.85 -1.24 -4.68 116.66 108.51 3bpf n ARG 118 Ca 0.10 -0.62 -0.10 0.00 -1.00 0.00 0.00 57.85 56.23 3bpf n ARG 118 Cb 0.38 -1.60 -0.10 0.00 -1.05 0.00 0.00 32.46 30.09 3bpf n ARG 118 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bpf h THR 120 N 4.28 1.35 -3.96 0.00 2.02 -1.95 -3.45 112.91 111.20 3bpf h THR 120 Ca -0.31 -1.94 -0.33 0.00 0.77 0.00 0.00 66.41 64.59 3bpf h THR 120 Cb 1.20 2.24 -0.26 0.00 -1.74 0.00 0.00 68.15 69.59 3bpf h THR 120 CO 0.42 0.59 -0.76 -0.70 0.37 0.00 0.00 175.52 175.44 3bpf s GLU 121 N -3.58 0.57 0.12 6.66 2.12 -1.26 -5.17 118.70 118.17 3bpf s GLU 121 Ca -0.12 -0.46 0.11 0.00 0.36 0.00 0.00 54.97 54.86 3bpf s GLU 121 Cb 0.06 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 3bpf s GLU 121 CO 0.85 0.12 -0.27 0.15 -0.54 0.00 0.00 175.26 175.57 3bpf s LYS 122 N -0.73 1.43 -0.12 4.30 1.02 -1.26 -4.63 119.74 119.75 3bpf s LYS 122 Ca -0.02 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 3bpf s LYS 122 Cb -0.06 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 3bpf s LYS 122 CO 0.00 0.45 -0.02 0.71 -0.92 0.00 0.00 175.35 175.58 3bpf s TYR 123 N -1.05 3.08 0.00 3.18 1.51 -1.24 -4.91 117.35 117.92 3bpf s TYR 123 Ca 0.14 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.16 3bpf s TYR 123 Cb -0.10 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3bpf s TYR 123 CO 0.06 0.22 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 3bpf n GLY 124 N 2.83 6.73 3.06 0.71 0.00 -1.26 -0.57 105.19 116.69 3bpf n GLY 124 Ca -0.18 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 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 0.26 0.09 -0.08 -0.61 -4.36 -1.26 -5.00 121.20 110.25 3bpf s ILE 125 Ca 0.00 -0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 59.48 3bpf s ILE 125 Cb 0.00 -0.36 -0.13 0.00 1.25 0.00 0.00 42.46 43.22 3bpf s ILE 125 CO 0.00 -0.41 0.59 0.11 0.24 0.00 0.00 174.94 175.47 3bpf h LYS 126 N 4.47 -0.15 0.00 0.37 1.79 -1.38 -3.44 116.57 118.22 3bpf h LYS 126 Ca -0.31 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 3bpf h LYS 126 Cb 1.20 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3bpf h LYS 126 CO 0.41 0.25 0.00 -1.71 -1.08 0.00 0.00 179.45 177.32 3bpf n ASN 127 N -4.85 0.00 -3.75 0.86 5.15 -1.04 -5.01 115.26 106.63 3bpf n ASN 127 Ca -0.06 -0.33 -0.13 0.00 -0.60 0.00 0.00 54.58 53.46 3bpf n ASN 127 Cb 0.23 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.38 3bpf n ASN 127 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3bpf s TYR 128 N -4.88 -0.32 0.16 1.20 1.13 -1.26 -0.12 117.35 113.26 3bpf s TYR 128 Ca 0.00 0.70 0.04 0.00 -1.41 0.00 0.00 57.07 56.40 3bpf s TYR 128 Cb 0.00 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 3bpf s TYR 128 CO 0.00 -0.29 0.20 -0.51 -2.51 0.00 0.00 175.55 172.44 3bpf s LEU 129 N -0.47 4.04 -0.31 -3.49 1.02 -0.34 -2.56 118.68 116.56 3bpf s LEU 129 Ca -0.06 0.00 -0.06 0.00 0.02 0.00 0.00 54.13 54.03 3bpf s LEU 129 Cb -0.04 -2.63 0.03 0.00 0.02 0.00 0.00 46.19 43.57 3bpf s LEU 129 CO 0.02 0.06 0.08 -0.55 0.02 0.00 0.00 176.35 175.99 3bpf s SER 130 N -3.17 5.17 0.17 2.29 0.15 -1.26 -1.65 113.70 115.39 3bpf s SER 130 Ca 0.33 -0.94 -0.30 0.00 0.70 0.00 0.00 55.95 55.73 3bpf s SER 130 Cb -0.10 -1.86 -0.08 0.00 -1.71 0.00 0.00 66.02 62.27 3bpf s SER 130 CO 0.26 -0.26 1.18 0.54 1.20 0.00 0.00 173.24 176.16 3bpf s VAL 131 N 1.44 3.68 0.26 4.45 0.11 -1.07 -4.75 120.40 124.52 3bpf s VAL 131 Ca 0.00 1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 60.14 3bpf s VAL 131 Cb -0.18 -3.88 -0.11 0.00 -1.53 0.00 0.00 36.38 30.67 3bpf s VAL 131 CO 0.02 0.21 1.53 -2.84 -3.33 0.00 0.00 175.10 170.69 3bpf s PRO 132 N -0.09 4.19 0.47 1.54 0.02 -1.26 -4.60 135.00 135.27 3bpf s PRO 132 Ca 0.53 2.45 0.20 0.00 0.02 0.00 0.00 61.00 64.20 3bpf s PRO 132 Cb -0.32 -3.07 1.20 0.00 0.02 0.00 0.00 34.50 32.33 3bpf s PRO 132 CO 0.35 -0.55 1.95 0.38 -0.33 0.00 0.00 177.00 178.81 3bpf h ASP 133 N 5.15 0.22 0.06 2.53 3.04 -1.89 -1.12 116.42 124.41 3bpf h ASP 133 Ca -0.46 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3bpf h ASP 133 Cb 1.22 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 3bpf h ASP 133 CO 0.80 0.12 0.00 -0.46 -2.04 0.00 0.00 179.24 177.66 3bpf n ASN 134 N -4.43 0.00 -0.78 4.15 6.94 -1.26 -3.68 115.26 116.20 3bpf n ASN 134 Ca 0.12 -0.53 0.02 0.00 -0.02 0.00 0.00 54.58 54.18 3bpf n ASN 134 Cb 0.56 -0.04 0.03 0.00 -2.36 0.00 0.00 39.78 37.96 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 -1.04 0.16 0.36 -3.83 5.02 -0.42 -4.91 118.16 113.50 3bpf n LYS 135 Ca 0.14 -1.52 -0.19 0.00 -2.02 0.00 0.00 58.31 54.72 3bpf n LYS 135 Cb 0.08 -0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.35 -1.27 -1.26 -0.35 3.38 -1.63 -2.42 115.31 112.11 3bpf h LEU 136 Ca -0.07 0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.29 3bpf h LEU 136 Cb 1.51 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 42.54 3bpf h LEU 136 CO 0.03 -0.70 0.68 0.11 0.09 0.00 0.00 178.44 178.65 3bpf h LYS 137 N -1.09 0.33 0.42 1.13 1.57 -1.86 -1.71 116.57 115.36 3bpf h LYS 137 Ca -0.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3bpf h LYS 137 Cb 0.90 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3bpf h LYS 137 CO 0.03 0.22 -0.30 1.49 -0.57 0.00 0.00 179.45 180.32 3bpf h GLU 138 N 0.34 -0.66 0.00 3.15 4.81 -1.80 -2.36 114.58 118.06 3bpf h GLU 138 Ca 0.68 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.91 3bpf h GLU 138 Cb 1.73 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 3bpf h GLU 138 CO -0.41 -0.44 -0.21 0.00 -0.73 0.00 0.00 179.01 177.23 3bpf h ALA 139 N -1.40 1.52 -0.41 2.92 0.00 -1.37 -1.41 119.26 119.11 3bpf h ALA 139 Ca -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3bpf h ALA 139 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3bpf h ALA 139 CO 0.03 0.26 0.17 1.25 0.00 0.00 0.00 179.25 180.96 3bpf h LEU 140 N 0.00 0.51 0.00 0.00 5.85 -1.24 0.32 115.31 120.75 3bpf h LEU 140 Ca -0.00 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.44 3bpf h LEU 140 Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3bpf h LEU 140 CO 0.03 0.46 -1.51 -0.09 -0.34 0.00 0.00 178.44 176.99 3bpf h ARG 141 N 0.57 0.00 0.00 1.25 9.65 -0.72 -3.37 114.38 121.76 3bpf h ARG 141 Ca 0.14 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 3bpf h ARG 141 Cb 0.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3bpf h ARG 141 CO -0.02 0.44 -1.26 1.19 2.80 0.00 0.00 179.97 183.12 3bpf n PHE 142 N -3.01 0.00 0.07 2.20 3.72 -0.88 -4.75 117.46 114.82 3bpf n PHE 142 Ca -0.12 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.36 3bpf n PHE 142 Cb 0.95 -0.17 -0.13 0.00 -0.94 0.00 0.00 39.48 39.20 3bpf n PHE 142 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3bpf n LEU 143 N -1.96 0.08 0.00 4.37 7.94 0.11 -4.82 117.00 122.72 3bpf n LEU 143 Ca -0.04 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3bpf n LEU 143 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3bpf n LEU 143 CO 0.09 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 3bpf n GLY 144 N 1.53 1.57 3.82 -3.96 0.00 -0.95 -5.03 105.19 102.18 3bpf n GLY 144 Ca -0.02 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 3bpf n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bpf s PRO 145 N -1.41 4.24 0.10 1.61 0.04 -1.26 -3.78 135.00 134.53 3bpf s PRO 145 Ca 0.00 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.20 3bpf s PRO 145 Cb 0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3bpf s PRO 145 CO 0.00 0.02 -0.10 -1.50 0.04 0.00 0.00 177.00 175.46 3bpf s ILE 146 N -2.10 3.34 -0.18 0.56 2.07 0.43 -4.84 121.20 120.48 3bpf s ILE 146 Ca 0.60 -1.26 -0.08 0.00 -1.41 0.00 0.00 60.65 58.50 3bpf s ILE 146 Cb -0.10 -2.55 -0.04 0.00 0.13 0.00 0.00 42.46 39.89 3bpf s ILE 146 CO 0.14 0.13 0.08 -0.94 -1.91 0.00 0.00 174.94 172.44 3bpf s SER 147 N -2.16 5.81 0.11 4.50 1.04 0.12 0.70 113.70 123.82 3bpf s SER 147 Ca 0.21 0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 3bpf s SER 147 Cb -0.11 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 3bpf s SER 147 CO 0.13 0.20 0.21 0.27 0.98 0.00 0.00 173.24 175.02 3bpf s ILE 148 N 0.24 0.12 0.52 -1.02 -4.36 -0.36 0.04 121.20 116.39 3bpf s ILE 148 Ca 0.05 -1.27 -0.02 0.00 -0.26 0.00 0.00 60.65 59.15 3bpf s ILE 148 Cb -0.12 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.10 3bpf s ILE 148 CO -0.00 -0.56 0.78 -0.94 0.24 0.00 0.00 174.94 174.46 3bpf s SER 149 N -2.90 5.65 -0.29 4.36 1.04 -0.60 -1.06 113.70 119.91 3bpf s SER 149 Ca 0.09 0.44 -0.21 0.00 0.48 0.00 0.00 55.95 56.75 3bpf s SER 149 Cb 0.05 -1.53 0.14 0.00 0.10 0.00 0.00 66.02 64.78 3bpf s SER 149 CO -0.08 -0.92 1.05 0.54 0.98 0.00 0.00 173.24 174.81 3bpf s VAL 150 N -2.77 0.00 -0.65 5.02 0.11 -0.60 -2.63 120.40 118.88 3bpf s VAL 150 Ca 0.52 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.29 3bpf s VAL 150 Cb -0.10 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 3bpf s VAL 150 CO 0.41 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 173.42 3bpf s ALA 151 N 0.71 2.88 0.05 1.54 0.00 -0.35 -2.79 121.76 123.80 3bpf s ALA 151 Ca -0.02 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 3bpf s ALA 151 Cb -0.04 -4.14 -0.06 0.00 0.00 0.00 0.00 23.12 18.88 3bpf s ALA 151 CO -0.11 -2.94 0.53 0.14 0.00 0.00 0.00 175.76 173.38 3bpf s VAL 152 N 5.33 4.81 0.22 0.00 -7.23 -1.26 -2.07 120.40 120.20 3bpf s VAL 152 Ca 0.40 1.12 0.10 0.00 -1.81 0.00 0.00 61.98 61.79 3bpf s VAL 152 Cb -0.08 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 3bpf s VAL 152 CO 0.21 0.56 -0.18 -0.94 -0.31 0.00 0.00 175.10 174.44 3bpf s SER 153 N -1.09 2.99 0.25 4.85 1.04 -1.26 -4.44 113.70 116.04 3bpf s SER 153 Ca 0.28 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.65 3bpf s SER 153 Cb -0.19 -0.20 0.44 0.00 0.10 0.00 0.00 66.02 66.16 3bpf s SER 153 CO 0.18 -0.05 1.62 0.44 0.98 0.00 0.00 173.24 176.40 3bpf h ASP 154 N 2.63 -0.45 0.64 7.02 3.32 -1.94 0.65 116.42 128.29 3bpf h ASP 154 Ca -0.40 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3bpf h ASP 154 Cb 1.23 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 3bpf h ASP 154 CO 0.58 -0.21 -0.10 -2.24 -1.72 0.00 0.00 179.24 175.55 3bpf h ASP 155 N 0.07 0.00 0.41 6.45 2.03 -1.95 0.29 116.42 123.72 3bpf h ASP 155 Ca 0.42 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.56 3bpf h ASP 155 Cb 0.73 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.22 3bpf h ASP 155 CO -0.72 0.10 -0.66 0.15 -1.03 0.00 0.00 179.24 177.08 3bpf h PHE 156 N 0.00 0.30 0.00 4.15 3.57 -0.05 -2.95 116.94 121.96 3bpf h PHE 156 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3bpf h PHE 156 Cb 0.45 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3bpf h PHE 156 CO 0.00 0.82 0.00 0.00 -2.23 0.00 0.00 178.31 176.90 3bpf h ALA 157 N 1.15 1.00 -0.83 2.41 0.00 0.14 -3.16 119.26 119.96 3bpf h ALA 157 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 3bpf h ALA 157 Cb 1.19 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 3bpf h ALA 157 CO 0.10 0.00 0.58 1.19 0.00 0.00 0.00 179.25 181.13 3bpf n PHE 158 N -2.45 2.59 -2.58 0.00 3.72 0.51 -4.97 117.46 114.28 3bpf n PHE 158 Ca 0.03 -1.83 -0.38 0.00 -0.05 0.00 0.00 57.45 55.23 3bpf n PHE 158 Cb 0.35 -0.92 -0.05 0.00 -0.94 0.00 0.00 39.48 37.92 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 -2.83 3.45 0.19 1.38 5.04 -1.20 -4.96 117.35 118.41 3bpf s TYR 159 Ca 0.49 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.81 3bpf s TYR 159 Cb 0.40 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.59 3bpf s TYR 159 CO 0.07 -0.41 0.00 1.63 -1.34 0.00 0.00 175.55 175.50 3bpf n LYS 160 N 0.40 0.00 -3.46 4.97 5.02 -1.26 -3.89 118.16 119.93 3bpf n LYS 160 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 3bpf n LYS 160 Cb 0.48 -0.23 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 3bpf n LYS 160 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3bpf s GLU 161 N -2.00 1.17 0.00 1.97 -1.05 -1.26 -3.31 118.70 114.23 3bpf s GLU 161 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 3bpf s GLU 161 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 3bpf s GLU 161 CO 0.00 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.16 3bpf n GLY 162 N 0.12 -1.00 3.68 -3.83 0.00 -1.26 -4.91 105.19 97.99 3bpf n GLY 162 Ca -0.17 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 3bpf n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bpf s ILE 163 N -1.07 4.52 -0.30 -0.61 1.01 -1.26 -4.57 121.20 118.92 3bpf s ILE 163 Ca 0.00 1.82 -0.11 0.00 0.00 0.00 0.00 60.65 62.36 3bpf s ILE 163 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 3bpf s ILE 163 CO 0.00 -0.03 0.19 0.12 0.00 0.00 0.00 174.94 175.21 3bpf s PHE 164 N 2.37 3.20 -0.28 3.97 5.36 -0.86 -4.97 117.98 126.77 3bpf s PHE 164 Ca 0.51 -0.18 0.10 0.00 -0.96 0.00 0.00 56.93 56.40 3bpf s PHE 164 Cb -0.21 -2.39 0.46 0.00 -0.34 0.00 0.00 43.02 40.55 3bpf s PHE 164 CO 0.18 -0.30 1.18 -0.40 -1.46 0.00 0.00 175.22 174.42 3bpf n ASP 165 N 5.04 4.18 -0.53 6.13 5.68 -1.26 -2.65 116.55 133.14 3bpf n ASP 165 Ca -0.14 -3.48 0.00 0.00 -0.50 0.00 0.00 54.79 50.67 3bpf n ASP 165 Cb 0.51 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3bpf n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bpf n GLY 166 N -0.71 1.50 3.89 6.12 0.00 -1.26 -5.07 105.19 109.67 3bpf n GLY 166 Ca 0.36 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 2.65 3.23 0.36 1.61 2.02 -1.26 -5.03 118.70 122.28 3bpf s GLU 167 Ca 0.00 0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.37 3bpf s GLU 167 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 32.06 3bpf s GLU 167 CO 0.00 -0.65 0.05 0.00 0.02 0.00 0.00 175.26 174.68 3bpf s GLY 169 N -3.05 1.79 0.21 0.00 0.00 -0.88 -4.70 107.32 100.70 3bpf s GLY 169 Ca 0.04 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.15 3bpf s GLY 169 CO 0.02 -1.22 1.50 -0.55 0.00 0.00 0.00 173.10 172.85 3bpf h ASP 170 N -0.15 0.27 -5.31 1.64 5.19 -1.90 -3.46 116.42 112.70 3bpf h ASP 170 Ca -0.38 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 55.74 3bpf h ASP 170 Cb 1.28 -0.08 -0.13 0.00 0.18 0.00 0.00 39.33 40.59 3bpf h ASP 170 CO 0.45 0.88 -0.36 -1.10 -3.12 0.00 0.00 179.24 175.99 3bpf s GLN 171 N -3.58 1.19 0.15 3.56 -0.21 -1.26 -5.13 119.66 114.38 3bpf s GLN 171 Ca -0.04 -1.26 -0.31 0.00 0.02 0.00 0.00 55.36 53.77 3bpf s GLN 171 Cb 0.11 0.37 -0.10 0.00 1.00 0.00 0.00 33.01 34.39 3bpf s GLN 171 CO 0.81 -0.43 1.58 -0.51 -2.12 0.00 0.00 175.29 174.62 3bpf s LEU 172 N -3.00 4.37 0.00 2.90 1.43 -1.26 -4.27 118.68 118.85 3bpf s LEU 172 Ca 0.21 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 3bpf s LEU 172 Cb 0.04 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3bpf s LEU 172 CO 0.03 -0.83 0.62 -0.46 0.23 0.00 0.00 176.35 175.93 3bpf n ASN 173 N 4.24 0.00 -3.64 2.29 6.94 -1.12 -4.85 115.26 119.12 3bpf n ASN 173 Ca 0.14 -1.25 -0.02 0.00 -0.02 0.00 0.00 54.58 53.43 3bpf n ASN 173 Cb 0.39 -0.05 -0.07 0.00 -2.36 0.00 0.00 39.78 37.69 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 0.00 -0.54 0.14 -2.53 5.04 -1.16 -4.90 115.29 111.34 3bpf s HIS 174 Ca 0.00 1.09 -0.22 0.00 -1.54 0.00 0.00 55.06 54.39 3bpf s HIS 174 Cb 0.00 0.33 -0.07 0.00 0.04 0.00 0.00 32.58 32.87 3bpf s HIS 174 CO 0.00 -0.27 0.68 0.00 -2.34 0.00 0.00 174.74 172.81 3bpf s ALA 175 N 1.31 3.50 0.32 1.58 0.00 -1.26 -1.56 121.76 125.66 3bpf s ALA 175 Ca -0.09 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3bpf s ALA 175 Cb -0.04 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3bpf s ALA 175 CO -0.14 0.34 0.37 1.33 0.00 0.00 0.00 175.76 177.66 3bpf n VAL 176 N 1.49 0.00 -5.02 0.00 0.24 -0.22 -4.80 118.33 110.01 3bpf n VAL 176 Ca -0.07 -1.96 -0.32 0.00 -2.04 0.00 0.00 64.34 59.95 3bpf n VAL 176 Cb 0.50 1.09 -0.15 0.00 -1.47 0.00 0.00 33.84 33.81 3bpf n VAL 176 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3bpf s MET 177 N -2.99 2.72 -0.19 7.34 -1.94 -0.78 -1.22 119.30 122.23 3bpf s MET 177 Ca 0.32 -0.78 -0.08 0.00 -1.71 0.00 0.00 55.69 53.44 3bpf s MET 177 Cb 0.00 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 3bpf s MET 177 CO 0.23 0.43 0.07 -1.17 -0.01 0.00 0.00 175.02 174.57 3bpf s LEU 178 N -0.25 3.82 0.00 -0.03 2.96 0.22 0.73 118.68 126.13 3bpf s LEU 178 Ca 0.00 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3bpf s LEU 178 Cb -0.13 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3bpf s LEU 178 CO 0.03 0.14 0.25 1.33 -1.32 0.00 0.00 176.35 176.78 3bpf n VAL 179 N 3.73 0.00 -3.34 1.68 0.24 -0.73 -0.43 118.33 119.49 3bpf n VAL 179 Ca -0.16 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3bpf n VAL 179 Cb 0.52 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 0.24 -1.52 3.37 7.63 0.00 -1.24 -1.66 105.19 112.01 3bpf n GLY 180 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.88 -0.08 0.21 1.61 -0.12 0.29 0.28 117.98 117.29 3bpf s PHE 181 Ca 0.00 -0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 56.59 3bpf s PHE 181 Cb 0.00 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 3bpf s PHE 181 CO 0.00 -0.75 0.32 0.41 -0.05 0.00 0.00 175.22 175.15 3bpf n GLY 182 N -0.25 2.27 3.50 1.99 0.00 0.18 -1.13 105.19 111.76 3bpf n GLY 182 Ca -0.13 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.36 0.55 -0.09 1.61 0.00 -1.15 -0.54 119.30 117.33 3bpf s MET 183 Ca 0.15 1.14 0.03 0.00 0.00 0.00 0.00 55.69 57.01 3bpf s MET 183 Cb -0.01 0.27 0.01 0.00 0.00 0.00 0.00 34.83 35.09 3bpf s MET 183 CO 0.11 -0.18 -0.18 0.15 0.00 0.00 0.00 175.02 174.92 3bpf s LYS 184 N 1.95 2.44 -1.19 4.11 1.02 -1.12 -4.95 119.74 122.01 3bpf s LYS 184 Ca -0.08 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 3bpf s LYS 184 Cb -0.08 -1.92 0.20 0.00 -0.52 0.00 0.00 37.83 35.51 3bpf s LYS 184 CO -0.17 0.08 1.38 -1.91 -0.92 0.00 0.00 175.35 173.82 3bpf n GLU 185 N 3.74 3.46 -3.09 1.68 2.13 -1.26 -2.84 120.64 124.46 3bpf n GLU 185 Ca -0.20 -4.01 -0.39 0.00 0.66 0.00 0.00 57.16 53.22 3bpf n GLU 185 Cb 0.52 -2.90 -0.06 0.00 0.27 0.00 0.00 31.44 29.28 3bpf n GLU 185 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3bpf s ILE 186 N 0.66 4.69 0.02 6.31 2.07 -1.00 -4.75 121.20 129.18 3bpf s ILE 186 Ca 0.39 1.48 -0.30 0.00 -1.41 0.00 0.00 60.65 60.81 3bpf s ILE 186 Cb -0.04 -4.04 -0.05 0.00 0.13 0.00 0.00 42.46 38.46 3bpf s ILE 186 CO -0.02 0.45 1.29 0.68 -1.91 0.00 0.00 174.94 175.44 3bpf s VAL 187 N -0.55 3.90 0.09 4.00 -7.23 -1.26 -1.74 120.40 117.60 3bpf s VAL 187 Ca 0.34 1.31 -0.31 0.00 -1.81 0.00 0.00 61.98 61.51 3bpf s VAL 187 Cb -0.20 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 32.83 3bpf s VAL 187 CO 0.22 0.04 1.22 0.21 -0.31 0.00 0.00 175.10 176.48 3bpf s ASN 188 N 1.46 7.05 0.11 4.85 3.84 -0.43 -4.91 114.94 126.91 3bpf s ASN 188 Ca 0.60 2.10 -0.16 0.00 0.21 0.00 0.00 52.86 55.61 3bpf s ASN 188 Cb -0.30 -2.58 -0.05 0.00 -0.55 0.00 0.00 41.25 37.77 3bpf s ASN 188 CO 0.26 -0.47 1.53 1.55 -2.79 0.00 0.00 177.10 177.18 3bpf h PRO 189 N 6.52 0.61 0.00 0.43 0.13 -1.94 -3.31 132.00 134.44 3bpf h PRO 189 Ca -0.42 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3bpf h PRO 189 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3bpf h PRO 189 CO 0.81 0.76 0.00 1.28 -0.23 0.00 0.00 178.00 180.61 3bpf n LEU 190 N -4.49 0.07 -4.67 1.56 4.77 -1.26 -4.43 117.00 108.55 3bpf n LEU 190 Ca -0.02 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.03 3bpf n LEU 190 Cb 0.29 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3bpf n LEU 190 CO 0.40 -0.01 0.85 0.42 -1.33 0.00 0.00 177.39 177.73 3bpf s THR 191 N -1.00 4.73 -1.23 -5.08 -4.23 -1.26 -4.93 115.64 102.64 3bpf s THR 191 Ca 0.00 2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 62.45 3bpf s THR 191 Cb 0.00 -4.31 -0.13 0.00 1.34 0.00 0.00 72.50 69.40 3bpf s THR 191 CO 0.00 -0.08 3.10 1.17 -0.54 0.00 0.00 174.62 178.27 3bpf n LYS 192 N 5.61 3.27 -4.46 3.99 4.81 -1.24 -4.13 118.16 126.01 3bpf n LYS 192 Ca 0.10 -1.90 -0.26 0.00 -0.87 0.00 0.00 58.31 55.38 3bpf n LYS 192 Cb 0.47 -2.60 -0.13 0.00 0.02 0.00 0.00 35.03 32.79 3bpf n LYS 192 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3bpf s LYS 193 N 1.93 1.30 -0.31 1.64 1.02 -1.26 -4.94 119.74 119.11 3bpf s LYS 193 Ca 0.69 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 3bpf s LYS 193 Cb 0.21 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.98 3bpf s LYS 193 CO -0.05 0.37 1.26 0.20 -0.92 0.00 0.00 175.35 176.22 3bpf s GLY 194 N -1.66 1.40 -0.06 -3.33 0.00 -1.26 -1.31 107.32 101.11 3bpf s GLY 194 Ca 0.08 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 3bpf s GLY 194 CO 0.04 2.53 0.30 -0.54 0.00 0.00 0.00 173.10 175.43 3bpf s GLU 195 N 4.11 3.78 -0.05 2.90 2.02 -0.71 -4.94 118.70 125.80 3bpf s GLU 195 Ca 0.54 0.19 -0.25 0.00 0.02 0.00 0.00 54.97 55.47 3bpf s GLU 195 Cb -0.15 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3bpf s GLU 195 CO 0.22 0.68 0.76 0.15 0.02 0.00 0.00 175.26 177.09 3bpf s LYS 196 N -0.92 4.46 -0.40 1.61 1.02 -1.26 -2.39 119.74 121.87 3bpf s LYS 196 Ca 0.20 0.99 0.03 0.00 0.02 0.00 0.00 55.97 57.20 3bpf s LYS 196 Cb -0.15 -3.45 0.11 0.00 -0.52 0.00 0.00 37.83 33.83 3bpf s LYS 196 CO 0.09 0.04 0.15 -1.01 -0.92 0.00 0.00 175.35 173.70 3bpf s HIS 197 N 0.86 2.79 0.41 3.18 3.76 -1.13 -5.02 115.29 120.14 3bpf s HIS 197 Ca 0.40 -2.64 -0.22 0.00 -0.15 0.00 0.00 55.06 52.46 3bpf s HIS 197 Cb -0.18 -2.41 -0.11 0.00 1.11 0.00 0.00 32.58 30.99 3bpf s HIS 197 CO 0.20 -0.85 0.96 0.71 -0.85 0.00 0.00 174.74 174.91 3bpf s TYR 198 N 0.67 3.36 0.04 1.40 1.51 -1.26 -2.77 117.35 120.30 3bpf s TYR 198 Ca 0.14 1.64 -0.27 0.00 -1.01 0.00 0.00 57.07 57.56 3bpf s TYR 198 Cb -0.21 -2.88 0.07 0.00 -0.11 0.00 0.00 41.96 38.83 3bpf s TYR 198 CO -0.08 -0.11 0.67 1.52 -1.11 0.00 0.00 175.55 176.44 3bpf s TYR 199 N -2.05 -0.58 -0.06 2.71 -0.85 0.30 -2.21 117.35 114.60 3bpf s TYR 199 Ca 0.60 0.70 -0.10 0.00 -0.52 0.00 0.00 57.07 57.75 3bpf s TYR 199 Cb -0.12 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 3bpf s TYR 199 CO 0.16 -0.70 0.25 0.71 -1.52 0.00 0.00 175.55 174.45 3bpf s TYR 200 N -2.44 3.65 -0.43 -3.49 2.02 -1.01 0.48 117.35 116.12 3bpf s TYR 200 Ca -0.04 0.71 -0.21 0.00 -0.37 0.00 0.00 57.07 57.16 3bpf s TYR 200 Cb -0.01 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3bpf s TYR 200 CO -0.02 0.69 0.65 0.42 -1.57 0.00 0.00 175.55 175.72 3bpf s ILE 201 N -1.08 4.82 0.02 2.71 1.09 0.14 -2.78 121.20 126.13 3bpf s ILE 201 Ca 0.20 0.15 -0.02 0.00 -1.10 0.00 0.00 60.65 59.88 3bpf s ILE 201 Cb -0.14 -4.20 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 3bpf s ILE 201 CO 0.09 -0.58 0.19 -0.63 -0.10 0.00 0.00 174.94 173.90 3bpf s ILE 202 N 2.83 5.39 -0.27 2.92 1.01 0.45 -1.77 121.20 131.76 3bpf s ILE 202 Ca 0.23 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3bpf s ILE 202 Cb -0.14 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.84 3bpf s ILE 202 CO 0.19 0.26 -0.08 -0.75 0.00 0.00 0.00 174.94 174.56 3bpf s LYS 203 N -2.14 2.06 0.13 2.79 2.20 0.22 -2.39 119.74 122.61 3bpf s LYS 203 Ca 0.30 -1.43 -0.00 0.00 -0.36 0.00 0.00 55.97 54.48 3bpf s LYS 203 Cb -0.13 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 3bpf s LYS 203 CO 0.22 -0.64 0.18 -1.71 -0.36 0.00 0.00 175.35 173.03 3bpf n ASN 204 N 4.41 0.21 -1.10 1.43 2.85 -0.73 -1.86 115.26 120.46 3bpf n ASN 204 Ca -0.10 -1.18 0.02 0.00 -0.11 0.00 0.00 54.58 53.20 3bpf n ASN 204 Cb 0.42 -0.12 0.13 0.00 1.24 0.00 0.00 39.78 41.45 3bpf n ASN 204 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3bpf n SER 205 N -3.00 1.91 -1.87 1.20 7.64 -1.26 -4.68 113.62 113.56 3bpf n SER 205 Ca 0.03 -3.33 -0.20 0.00 1.01 0.00 0.00 58.87 56.38 3bpf n SER 205 Cb 0.10 -0.45 0.14 0.00 -1.01 0.00 0.00 64.21 62.99 3bpf n SER 205 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3bpf n TRP 206 N -0.65 2.40 -2.64 1.43 8.01 -1.26 -1.42 117.44 123.32 3bpf n TRP 206 Ca 0.18 -2.12 0.05 0.00 -1.31 0.00 0.00 57.50 54.29 3bpf n TRP 206 Cb 0.84 -0.84 -0.01 0.00 -2.01 0.00 0.00 31.31 29.29 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 -1.02 -1.82 0.09 6.99 0.00 -1.06 -4.05 105.19 104.32 3bpf n GLY 207 Ca 0.49 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 45.30 3bpf n GLY 207 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bpf n GLN 208 N -1.71 0.62 -0.10 1.61 6.02 -1.26 -3.92 117.38 118.63 3bpf n GLN 208 Ca 0.00 0.10 -0.01 0.00 -0.01 0.00 0.00 57.00 57.09 3bpf n GLN 208 Cb 0.15 -1.77 0.26 0.00 1.02 0.00 0.00 30.24 29.90 3bpf n GLN 208 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3bpf h GLN 209 N 0.00 0.75 -6.27 -1.09 -0.00 -1.89 -2.89 115.11 103.72 3bpf h GLN 209 Ca -0.07 -0.11 -0.55 0.00 -0.00 0.00 0.00 58.65 57.92 3bpf h GLN 209 Cb 1.21 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.54 3bpf h GLN 209 CO 0.01 0.63 0.95 -0.46 -0.00 0.00 0.00 178.83 179.97 3bpf s TRP 210 N -5.33 2.51 0.00 0.06 -0.00 -1.25 -4.82 118.94 110.11 3bpf s TRP 210 Ca -0.09 0.62 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 3bpf s TRP 210 Cb 0.16 -3.72 0.00 0.00 -0.00 0.00 0.00 33.47 29.91 3bpf s TRP 210 CO 0.78 -2.81 0.00 0.41 -0.00 0.00 0.00 176.95 175.33 3bpf n GLY 211 N 3.83 0.96 3.55 5.86 0.00 -1.25 -1.59 105.19 116.55 3bpf n GLY 211 Ca 0.15 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 2.93 -0.33 1.61 2.02 -0.96 -3.94 118.70 120.03 3bpf s GLU 212 Ca 0.00 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.03 3bpf s GLU 212 Cb 0.00 -4.41 0.02 0.00 0.10 0.00 0.00 34.13 29.84 3bpf s GLU 212 CO 0.00 -2.49 0.05 -2.13 0.02 0.00 0.00 175.26 170.71 3bpf n ARG 213 N 9.23 -2.75 0.00 1.61 0.63 -1.21 0.12 116.66 124.30 3bpf n ARG 213 Ca 0.15 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 3bpf n ARG 213 Cb 0.50 -4.66 0.00 0.00 0.45 0.00 0.00 32.46 28.76 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 -0.61 0.41 3.44 5.14 0.00 -0.62 -4.58 105.19 108.37 3bpf n GLY 214 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3bpf n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bpf s PHE 215 N -2.00 3.03 0.32 1.61 0.40 0.34 -1.77 117.98 119.90 3bpf s PHE 215 Ca 0.00 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.84 3bpf s PHE 215 Cb 0.00 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 3bpf s PHE 215 CO 0.00 -0.23 0.55 0.96 0.70 0.00 0.00 175.22 177.20 3bpf s ILE 216 N 0.91 5.08 -0.30 0.64 -4.36 -1.01 -2.25 121.20 119.91 3bpf s ILE 216 Ca 0.01 -0.24 -0.00 0.00 -0.26 0.00 0.00 60.65 60.16 3bpf s ILE 216 Cb -0.14 -3.81 0.09 0.00 1.25 0.00 0.00 42.46 39.85 3bpf s ILE 216 CO 0.02 -0.46 0.07 0.54 0.24 0.00 0.00 174.94 175.35 3bpf s ASN 217 N -3.65 4.01 0.49 4.36 2.20 -1.26 -0.41 114.94 120.67 3bpf s ASN 217 Ca 0.42 -1.59 -0.14 0.00 -0.94 0.00 0.00 52.86 50.61 3bpf s ASN 217 Cb -0.10 -0.97 -0.07 0.00 -2.00 0.00 0.00 41.25 38.11 3bpf s ASN 217 CO 0.34 -0.38 0.91 -0.63 -2.94 0.00 0.00 177.10 174.40 3bpf s ILE 218 N 1.52 4.64 0.54 0.54 -1.09 -1.12 -2.02 121.20 124.21 3bpf s ILE 218 Ca 0.07 0.98 -0.20 0.00 -2.23 0.00 0.00 60.65 59.27 3bpf s ILE 218 Cb -0.18 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 3bpf s ILE 218 CO -0.20 -0.67 1.18 -0.70 -1.23 0.00 0.00 174.94 173.33 3bpf s GLU 219 N -4.09 3.30 0.28 2.79 2.12 -1.09 -2.40 118.70 119.61 3bpf s GLU 219 Ca 0.56 1.77 -0.07 0.00 0.36 0.00 0.00 54.97 57.59 3bpf s GLU 219 Cb -0.10 -2.09 0.03 0.00 0.26 0.00 0.00 34.13 32.23 3bpf s GLU 219 CO 0.33 -0.93 0.50 -2.37 -0.54 0.00 0.00 175.26 172.24 3bpf n THR 220 N -1.20 0.00 -4.12 -1.70 5.66 -0.94 -4.29 114.28 107.69 3bpf n THR 220 Ca 0.11 -1.00 -0.26 0.00 -3.05 0.00 0.00 64.05 59.85 3bpf n THR 220 Cb 0.49 0.78 -0.05 0.00 -1.55 0.00 0.00 70.33 70.00 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 -2.59 4.47 0.21 1.09 1.47 -1.26 -4.18 116.67 115.88 3bpf s ASP 221 Ca 0.16 -1.19 -0.09 0.00 1.18 0.00 0.00 52.55 52.61 3bpf s ASP 221 Cb -0.02 -0.10 0.31 0.00 -0.34 0.00 0.00 42.92 42.77 3bpf s ASP 221 CO 0.12 -0.75 1.71 -0.08 0.68 0.00 0.00 175.17 176.85 3bpf h GLU 222 N 1.21 0.27 -0.37 2.11 4.81 -1.93 -0.14 114.58 120.54 3bpf h GLU 222 Ca -0.41 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3bpf h GLU 222 Cb 1.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3bpf h GLU 222 CO 0.66 0.18 0.11 0.66 -0.73 0.00 0.00 179.01 179.89 3bpf h SER 223 N 0.28 0.49 0.00 1.04 4.64 -1.96 -3.45 113.55 114.58 3bpf h SER 223 Ca 0.32 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3bpf h SER 223 Cb 0.48 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3bpf h SER 223 CO -0.40 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3bpf n GLY 224 N -1.11 0.54 0.14 -0.77 0.00 -0.06 -4.77 105.19 99.16 3bpf n GLY 224 Ca 0.02 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -8.17 0.99 3.38 -1.89 -3.43 115.31 106.19 3bpf h LEU 225 Ca 0.00 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 3bpf h LEU 225 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3bpf h LEU 225 CO 0.00 0.01 1.35 -0.32 0.09 0.00 0.00 178.44 179.58 3bpf s MET 226 N -3.27 3.48 -1.17 1.13 1.75 -1.26 -4.92 119.30 115.04 3bpf s MET 226 Ca 0.04 -0.91 -0.10 0.00 -1.25 0.00 0.00 55.69 53.46 3bpf s MET 226 Cb 0.09 -5.03 0.23 0.00 2.84 0.00 0.00 34.83 32.95 3bpf s MET 226 CO 0.73 -2.18 1.37 0.54 -0.65 0.00 0.00 175.02 174.83 3bpf n ARG 227 N 8.92 3.58 -1.70 4.11 1.74 -1.26 -4.41 116.66 127.65 3bpf n ARG 227 Ca 0.25 -4.12 -0.44 0.00 -0.77 0.00 0.00 57.85 52.76 3bpf n ARG 227 Cb 0.50 -2.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.12 3bpf n ARG 227 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3bpf n LYS 228 N 3.87 2.51 -1.26 5.56 3.00 -1.26 -1.64 118.16 128.94 3bpf n LYS 228 Ca 0.31 0.91 -0.09 0.00 -0.00 0.00 0.00 58.31 59.44 3bpf n LYS 228 Cb 0.40 -2.72 -0.04 0.00 0.00 0.00 0.00 35.03 32.67 3bpf n LYS 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3bpf n GLY 230 N -1.81 0.67 2.70 0.00 0.00 -0.65 -1.21 105.19 104.89 3bpf n GLY 230 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3bpf n GLY 230 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bpf n LEU 231 N 0.00 -0.65 0.00 0.99 7.94 -1.12 -0.01 117.00 124.15 3bpf n LEU 231 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 3bpf n LEU 231 Cb 0.00 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.43 3bpf n LEU 231 CO 0.00 -0.91 0.00 0.61 -1.11 0.00 0.00 177.39 175.98 3bpf n GLY 232 N 4.52 1.41 0.43 -3.96 0.00 -1.08 -4.82 105.19 101.69 3bpf n GLY 232 Ca 0.52 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 3bpf n GLY 232 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bpf h THR 233 N 0.00 0.00 -3.37 2.61 2.02 -0.67 -3.35 112.91 110.15 3bpf h THR 233 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 3bpf h THR 233 Cb 0.33 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 3bpf h THR 233 CO 0.00 0.00 0.09 -1.81 0.37 0.00 0.00 175.52 174.17 3bpf s ASP 234 N -3.88 6.85 -0.13 4.18 1.01 -1.26 -4.86 116.67 118.58 3bpf s ASP 234 Ca -0.15 1.03 -0.06 0.00 0.71 0.00 0.00 52.55 54.07 3bpf s ASP 234 Cb 0.03 -2.38 0.05 0.00 1.01 0.00 0.00 42.92 41.63 3bpf s ASP 234 CO 0.50 -0.17 0.30 0.00 0.21 0.00 0.00 175.17 176.00 3bpf s ALA 235 N 1.23 -0.71 -0.03 5.23 0.00 -1.26 -1.56 121.76 124.67 3bpf s ALA 235 Ca 0.33 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 3bpf s ALA 235 Cb -0.17 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.19 3bpf s ALA 235 CO 0.14 -0.28 0.15 -0.06 0.00 0.00 0.00 175.76 175.71 3bpf s PHE 236 N 1.45 -0.06 -0.11 0.00 0.40 0.11 -2.59 117.98 117.18 3bpf s PHE 236 Ca -0.08 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3bpf s PHE 236 Cb -0.10 -0.00 0.02 0.00 0.51 0.00 0.00 43.02 43.45 3bpf s PHE 236 CO -0.10 -0.19 -0.08 0.96 0.70 0.00 0.00 175.22 176.51 3bpf s ILE 237 N -0.70 1.02 0.29 0.64 -4.36 -0.66 0.14 121.20 117.57 3bpf s ILE 237 Ca -0.08 -0.30 -0.28 0.00 -0.26 0.00 0.00 60.65 59.73 3bpf s ILE 237 Cb -0.05 -1.03 -0.09 0.00 1.25 0.00 0.00 42.46 42.54 3bpf s ILE 237 CO 0.01 0.36 0.96 -2.16 0.24 0.00 0.00 174.94 174.36 3bpf s PRO 238 N 1.59 4.68 0.11 0.37 0.04 -1.26 -1.20 135.00 139.33 3bpf s PRO 238 Ca 0.03 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.61 3bpf s PRO 238 Cb -0.13 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3bpf s PRO 238 CO -0.07 0.35 -0.16 -1.17 0.04 0.00 0.00 177.00 175.99 3bpf s LEU 239 N -1.67 2.77 0.00 -3.56 2.96 0.84 -4.90 118.68 115.12 3bpf s LEU 239 Ca 0.46 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3bpf s LEU 239 Cb -0.23 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3bpf s LEU 239 CO 0.29 0.18 0.12 -0.38 -1.32 0.00 0.00 176.35 175.24