#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bfa s PRO 7 N 0.00 3.61 -0.04 5.55 0.04 -1.26 -4.86 135.00 138.04 2bfa s PRO 7 Ca 0.00 0.68 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2bfa s PRO 7 Cb 0.00 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2bfa s PRO 7 CO 0.00 -0.50 -0.20 0.08 0.04 0.00 0.00 177.00 176.42 2bfa s VAL 8 N -3.08 2.57 -0.08 -0.36 1.01 -1.26 -0.65 120.40 118.55 2bfa s VAL 8 Ca 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2bfa s VAL 8 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2bfa s VAL 8 CO 0.51 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 176.00 2bfa s ALA 9 N -0.58 1.80 -0.27 5.51 0.00 0.06 -0.77 121.76 127.51 2bfa s ALA 9 Ca 0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2bfa s ALA 9 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2bfa s ALA 9 CO 0.00 0.24 0.14 -1.17 0.00 0.00 0.00 175.76 174.97 2bfa s LEU 10 N 0.38 3.80 -0.25 0.00 2.96 0.13 -0.64 118.68 125.06 2bfa s LEU 10 Ca -0.15 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2bfa s LEU 10 Cb -0.16 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.55 2bfa s LEU 10 CO 0.06 -0.06 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 2bfa s VAL 11 N 1.69 2.19 0.36 1.68 1.01 -0.62 -0.42 120.40 126.29 2bfa s VAL 11 Ca 0.07 -1.48 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 2bfa s VAL 11 Cb -0.16 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 2bfa s VAL 11 CO 0.08 0.09 0.96 0.42 0.00 0.00 0.00 175.10 176.64 2bfa s THR 12 N 1.15 4.21 -1.31 3.92 -4.23 -1.01 -1.18 115.64 117.19 2bfa s THR 12 Ca -0.06 1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 62.13 2bfa s THR 12 Cb -0.19 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.79 2bfa s THR 12 CO -0.06 0.00 0.76 0.61 -0.54 0.00 0.00 174.62 175.39 2bfa n GLY 13 N 0.21 -0.31 0.28 3.99 0.00 -0.99 -2.50 105.19 105.86 2bfa n GLY 13 Ca 0.04 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2bfa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bfa n ALA 14 N -4.29 2.99 -0.07 4.61 0.00 -0.17 -4.08 120.51 119.50 2bfa n ALA 14 Ca -0.28 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 2bfa n ALA 14 Cb 0.67 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 2bfa n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bfa h ALA 15 N 3.79 0.32 -4.04 0.00 0.00 -1.88 -2.66 119.26 114.79 2bfa h ALA 15 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2bfa h ALA 15 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2bfa h ALA 15 CO 0.00 -0.30 -0.24 0.36 0.00 0.00 0.00 179.25 179.07 2bfa n LYS 16 N -5.02 0.36 0.00 0.00 2.85 -1.26 -4.51 118.16 110.58 2bfa n LYS 16 Ca -0.01 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.52 2bfa n LYS 16 Cb 0.09 1.29 0.00 0.00 -0.65 0.00 0.00 35.03 35.76 2bfa n LYS 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bfa n ARG 17 N -0.37 0.00 -0.10 -1.58 1.74 -1.26 -1.04 116.66 114.06 2bfa n ARG 17 Ca 0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.00 2bfa n ARG 17 Cb 0.31 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.73 2bfa n ARG 17 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2bfa h LEU 18 N 0.00 0.42 -0.70 0.55 3.38 -1.92 -2.17 115.31 114.87 2bfa h LEU 18 Ca 0.00 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2bfa h LEU 18 Cb 0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2bfa h LEU 18 CO 0.00 0.45 0.25 1.23 0.09 0.00 0.00 178.44 180.46 2bfa h GLY 19 N 0.36 1.01 1.13 0.83 0.00 -1.58 0.15 103.07 104.96 2bfa h GLY 19 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2bfa h GLY 19 CO -0.01 -0.08 -0.01 -0.09 0.00 0.00 0.00 176.54 176.34 2bfa h ARG 20 N 0.40 1.04 -0.39 4.80 2.43 -0.71 -1.14 114.38 120.81 2bfa h ARG 20 Ca 0.37 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2bfa h ARG 20 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2bfa h ARG 20 CO -0.38 1.02 -0.21 1.03 -1.51 0.00 0.00 179.97 179.92 2bfa h SER 21 N 0.95 0.77 -0.31 -3.80 0.87 -0.63 -0.51 113.55 110.88 2bfa h SER 21 Ca 0.17 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 2bfa h SER 21 Cb 0.56 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2bfa h SER 21 CO 0.03 0.96 -0.05 0.40 -0.53 0.00 0.00 176.83 177.65 2bfa h ILE 22 N 0.67 1.27 -0.55 2.23 2.04 -0.55 -0.07 117.51 122.55 2bfa h ILE 22 Ca 0.10 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2bfa h ILE 22 Cb 0.71 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2bfa h ILE 22 CO 0.05 0.34 0.35 0.00 0.00 0.00 0.00 178.15 178.89 2bfa h ALA 23 N 0.81 0.70 -0.56 1.87 0.00 -1.01 -0.17 119.26 120.91 2bfa h ALA 23 Ca 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2bfa h ALA 23 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bfa h ALA 23 CO 0.02 0.17 0.14 0.93 0.00 0.00 0.00 179.25 180.51 2bfa h GLU 24 N 0.75 0.89 -0.15 0.00 5.08 -1.03 -0.61 114.58 119.51 2bfa h GLU 24 Ca 0.20 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2bfa h GLU 24 Cb -0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2bfa h GLU 24 CO -0.04 0.83 0.05 0.78 -1.00 0.00 0.00 179.01 179.64 2bfa h GLY 25 N 0.80 0.18 0.99 -3.84 0.00 -0.54 -0.33 103.07 100.32 2bfa h GLY 25 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2bfa h GLY 25 CO 0.00 0.03 0.15 1.41 0.00 0.00 0.00 176.54 178.13 2bfa h LEU 26 N 0.13 0.79 -1.14 3.11 3.38 -0.93 -2.74 115.31 117.90 2bfa h LEU 26 Ca 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bfa h LEU 26 Cb 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2bfa h LEU 26 CO -0.06 0.80 0.50 -0.74 0.09 0.00 0.00 178.44 179.03 2bfa h HIS 27 N 0.75 1.04 0.00 1.13 2.76 -0.88 -0.54 115.15 119.41 2bfa h HIS 27 Ca 0.17 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2bfa h HIS 27 Cb 0.30 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 2bfa h HIS 27 CO 0.02 0.68 -0.09 0.00 -1.30 0.00 0.00 177.93 177.24 2bfa h ALA 28 N 1.45 1.29 -0.01 5.26 0.00 -0.77 -0.34 119.26 126.14 2bfa h ALA 28 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2bfa h ALA 28 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bfa h ALA 28 CO -0.06 0.11 -0.05 0.39 0.00 0.00 0.00 179.25 179.64 2bfa n GLU 29 N -3.62 1.34 0.00 0.00 -0.58 -0.26 -4.91 120.64 112.61 2bfa n GLU 29 Ca -0.02 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 2bfa n GLU 29 Cb 0.21 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2bfa n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bfa n GLY 30 N 1.19 0.68 3.76 0.62 0.00 -0.14 -5.09 105.19 106.21 2bfa n GLY 30 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2bfa n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bfa s TYR 31 N -2.00 3.53 0.14 1.61 1.51 -0.91 -4.54 117.35 116.68 2bfa s TYR 31 Ca 0.00 1.68 -0.27 0.00 -1.01 0.00 0.00 57.07 57.46 2bfa s TYR 31 Cb 0.00 -3.32 -0.07 0.00 -0.11 0.00 0.00 41.96 38.46 2bfa s TYR 31 CO 0.00 -0.66 0.86 0.00 -1.11 0.00 0.00 175.55 174.64 2bfa s ALA 32 N -1.16 3.35 -0.12 3.71 0.00 0.17 -4.23 121.76 123.48 2bfa s ALA 32 Ca 0.45 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.88 2bfa s ALA 32 Cb -0.33 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2bfa s ALA 32 CO 0.42 0.13 -0.19 0.08 0.00 0.00 0.00 175.76 176.20 2bfa s VAL 33 N -0.57 1.78 -0.46 0.00 1.01 -0.01 -0.76 120.40 121.38 2bfa s VAL 33 Ca 0.40 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2bfa s VAL 33 Cb -0.23 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2bfa s VAL 33 CO 0.28 0.50 0.61 0.00 0.00 0.00 0.00 175.10 176.48 2bfa s LEU 35 N 2.67 4.40 0.30 0.00 1.43 0.73 -1.59 118.68 126.63 2bfa s LEU 35 Ca 0.18 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2bfa s LEU 35 Cb -0.16 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 2bfa s LEU 35 CO 0.16 -1.05 0.74 -2.28 0.23 0.00 0.00 176.35 174.15 2bfa s HIS 36 N 3.38 3.45 0.16 0.29 5.65 -0.33 -1.63 115.29 126.26 2bfa s HIS 36 Ca 0.25 1.28 -0.17 0.00 0.25 0.00 0.00 55.06 56.68 2bfa s HIS 36 Cb -0.14 -2.57 0.03 0.00 -1.18 0.00 0.00 32.58 28.71 2bfa s HIS 36 CO 0.18 0.15 0.46 1.52 -0.65 0.00 0.00 174.74 176.40 2bfa s TYR 37 N -1.87 -0.15 0.00 3.88 -0.85 -0.55 -1.00 117.35 116.82 2bfa s TYR 37 Ca 0.51 -0.17 -0.01 0.00 -0.52 0.00 0.00 57.07 56.89 2bfa s TYR 37 Cb -0.12 0.31 -0.00 0.00 0.38 0.00 0.00 41.96 42.53 2bfa s TYR 37 CO 0.18 -0.80 -0.01 1.58 -1.52 0.00 0.00 175.55 174.98 2bfa n HIS 38 N -0.28 0.00 -0.02 -3.49 -0.00 -1.26 -1.20 115.22 108.97 2bfa n HIS 38 Ca -0.13 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.67 2bfa n HIS 38 Cb 0.63 -0.02 -0.15 0.00 -0.00 0.00 0.00 29.99 30.46 2bfa n HIS 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2bfa n ARG 39 N -2.68 0.62 -2.09 1.57 1.74 -1.26 -4.74 116.66 109.82 2bfa n ARG 39 Ca -0.01 -0.16 -0.40 0.00 -0.77 0.00 0.00 57.85 56.51 2bfa n ARG 39 Cb 0.02 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2bfa n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bfa n SER 40 N -2.20 7.58 -0.06 0.55 7.64 -1.26 -4.72 113.62 121.15 2bfa n SER 40 Ca -0.06 -3.17 -0.11 0.00 1.01 0.00 0.00 58.87 56.55 2bfa n SER 40 Cb 0.54 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.33 2bfa n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bfa h ALA 41 N 4.76 0.27 -0.08 -0.43 0.00 -1.96 -1.90 119.26 119.91 2bfa h ALA 41 Ca 0.64 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.46 2bfa h ALA 41 Cb 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2bfa h ALA 41 CO 1.48 -0.11 -0.27 0.00 0.00 0.00 0.00 179.25 180.36 2bfa h ALA 42 N 0.89 -0.30 -0.58 0.00 0.00 -1.99 0.89 119.26 118.17 2bfa h ALA 42 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2bfa h ALA 42 Cb 0.23 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2bfa h ALA 42 CO -0.00 -0.74 0.07 0.93 0.00 0.00 0.00 179.25 179.50 2bfa h GLU 43 N -0.36 0.95 -0.35 0.00 3.07 -1.90 -0.99 114.58 115.00 2bfa h GLU 43 Ca 0.09 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 2bfa h GLU 43 Cb 0.49 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2bfa h GLU 43 CO -0.29 0.89 -0.08 0.00 -1.40 0.00 0.00 179.01 178.13 2bfa h ALA 44 N 1.18 0.48 -0.27 3.43 0.00 -0.95 -1.60 119.26 121.53 2bfa h ALA 44 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2bfa h ALA 44 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bfa h ALA 44 CO 0.01 0.32 -0.19 -0.91 0.00 0.00 0.00 179.25 178.49 2bfa h ASN 45 N 0.46 0.48 -0.62 0.00 2.35 -0.68 -1.27 115.58 116.30 2bfa h ASN 45 Ca 0.09 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2bfa h ASN 45 Cb 0.58 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2bfa h ASN 45 CO 0.03 0.68 0.06 0.00 -1.65 0.00 0.00 177.43 176.56 2bfa h ALA 46 N 1.37 0.91 -0.41 -0.83 0.00 -1.02 -0.98 119.26 118.31 2bfa h ALA 46 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2bfa h ALA 46 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bfa h ALA 46 CO 0.04 0.66 -0.23 1.25 0.00 0.00 0.00 179.25 180.97 2bfa h LEU 47 N 0.99 0.90 -0.60 0.00 5.85 -1.01 -1.91 115.31 119.53 2bfa h LEU 47 Ca 0.19 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2bfa h LEU 47 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2bfa h LEU 47 CO 0.02 1.12 0.38 -1.28 -0.34 0.00 0.00 178.44 178.34 2bfa h SER 48 N 0.69 0.71 -0.59 1.25 0.87 -1.06 -1.02 113.55 114.41 2bfa h SER 48 Ca 0.09 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2bfa h SER 48 Cb 0.79 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2bfa h SER 48 CO 0.07 0.54 0.38 0.00 -0.53 0.00 0.00 176.83 177.28 2bfa h ALA 49 N 1.20 0.74 -0.05 6.23 0.00 -1.01 0.36 119.26 126.74 2bfa h ALA 49 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bfa h ALA 49 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2bfa h ALA 49 CO -0.04 0.20 0.02 1.15 0.00 0.00 0.00 179.25 180.58 2bfa h THR 50 N 0.79 1.10 -0.67 0.00 2.02 -0.97 -0.05 112.91 115.13 2bfa h THR 50 Ca 0.21 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2bfa h THR 50 Cb -0.07 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2bfa h THR 50 CO -0.04 0.08 0.16 -0.07 0.37 0.00 0.00 175.52 176.01 2bfa h LEU 51 N -0.04 1.02 -0.86 2.58 3.38 -0.86 -2.01 115.31 118.52 2bfa h LEU 51 Ca 0.02 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2bfa h LEU 51 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2bfa h LEU 51 CO -0.00 0.99 -0.19 0.78 0.09 0.00 0.00 178.44 180.11 2bfa h ASN 52 N 1.00 0.64 -0.12 -0.43 2.35 -0.13 -0.99 115.58 117.90 2bfa h ASN 52 Ca 0.21 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2bfa h ASN 52 Cb 0.38 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2bfa h ASN 52 CO 0.00 0.83 -0.21 0.00 -1.65 0.00 0.00 177.43 176.40 2bfa h ALA 53 N 1.23 1.10 0.00 -0.83 0.00 -0.77 -2.16 119.26 117.83 2bfa h ALA 53 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2bfa h ALA 53 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2bfa h ALA 53 CO 0.05 0.56 -0.54 -0.09 0.00 0.00 0.00 179.25 179.23 2bfa h ARG 54 N 0.48 0.00 -0.93 0.00 2.43 -1.01 -3.42 114.38 111.92 2bfa h ARG 54 Ca 0.08 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 2bfa h ARG 54 Cb 0.63 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.97 2bfa h ARG 54 CO 0.05 0.54 -0.25 0.50 -1.51 0.00 0.00 179.97 179.29 2bfa s ARG 55 N -3.27 0.53 0.29 0.20 3.52 -0.41 -5.10 118.95 114.71 2bfa s ARG 55 Ca 0.01 0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 56.19 2bfa s ARG 55 Cb 0.10 0.47 -0.14 0.00 -1.56 0.00 0.00 34.95 33.82 2bfa s ARG 55 CO 0.73 -0.65 1.15 -2.30 -0.81 0.00 0.00 175.30 173.42 2bfa n PRO 56 N 5.43 1.62 -3.80 5.12 -0.02 -0.85 -2.72 135.00 139.78 2bfa n PRO 56 Ca -0.00 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.79 2bfa n PRO 56 Cb 0.52 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2bfa n PRO 56 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2bfa n ASN 57 N 1.28 -3.25 -0.17 2.55 5.15 -1.26 -4.89 115.26 114.67 2bfa n ASN 57 Ca 0.09 -0.79 0.02 0.00 -0.60 0.00 0.00 54.58 53.30 2bfa n ASN 57 Cb 0.32 -4.02 0.03 0.00 -0.53 0.00 0.00 39.78 35.59 2bfa n ASN 57 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2bfa n SER 58 N -2.94 1.88 -3.59 1.20 3.41 -1.10 -4.97 113.62 107.50 2bfa n SER 58 Ca -0.11 -1.66 -0.15 0.00 -0.26 0.00 0.00 58.87 56.69 2bfa n SER 58 Cb 0.60 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 2bfa n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bfa s ALA 59 N -0.71 -1.75 0.13 7.33 0.00 -1.26 -0.83 121.76 124.67 2bfa s ALA 59 Ca 0.06 1.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.69 2bfa s ALA 59 Cb 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2bfa s ALA 59 CO 0.05 -0.35 0.13 0.96 0.00 0.00 0.00 175.76 176.54 2bfa s ILE 60 N -0.25 0.11 0.00 0.00 -4.36 -0.87 -4.90 121.20 110.94 2bfa s ILE 60 Ca -0.04 -1.69 0.05 0.00 -0.26 0.00 0.00 60.65 58.70 2bfa s ILE 60 Cb -0.03 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 2bfa s ILE 60 CO 0.04 -0.48 -0.16 0.42 0.24 0.00 0.00 174.94 175.01 2bfa s THR 61 N -4.00 1.23 -0.02 8.37 -4.23 -1.26 -0.19 115.64 115.54 2bfa s THR 61 Ca 0.19 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2bfa s THR 61 Cb 0.06 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.87 2bfa s THR 61 CO -0.01 0.28 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.64 2bfa s VAL 62 N -0.47 0.28 0.01 2.29 1.01 -0.65 -4.94 120.40 117.93 2bfa s VAL 62 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 2bfa s VAL 62 Cb -0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2bfa s VAL 62 CO -0.00 0.13 0.33 -1.58 0.00 0.00 0.00 175.10 173.98 2bfa s GLN 63 N 0.51 3.71 -0.29 2.72 -0.44 -1.26 -1.47 119.66 123.13 2bfa s GLN 63 Ca -0.05 0.12 -0.18 0.00 -2.50 0.00 0.00 55.36 52.75 2bfa s GLN 63 Cb -0.08 -3.10 0.15 0.00 -1.64 0.00 0.00 33.01 28.34 2bfa s GLN 63 CO -0.01 0.65 1.04 0.00 0.50 0.00 0.00 175.29 177.47 2bfa s ALA 64 N -1.24 -2.27 -0.20 1.58 0.00 -0.34 -4.93 121.76 114.36 2bfa s ALA 64 Ca 0.27 2.10 -0.28 0.00 0.00 0.00 0.00 51.96 54.05 2bfa s ALA 64 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2bfa s ALA 64 CO 0.15 -0.31 0.97 0.34 0.00 0.00 0.00 175.76 176.91 2bfa s ASP 65 N 1.06 7.07 -0.05 0.00 -1.08 -1.26 -4.32 116.67 118.09 2bfa s ASP 65 Ca -0.06 1.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.48 2bfa s ASP 65 Cb -0.04 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.50 2bfa s ASP 65 CO -0.13 -0.57 1.49 0.18 0.52 0.00 0.00 175.17 176.67 2bfa n LEU 66 N 5.86 3.84 -4.78 -1.34 4.77 -1.26 -4.93 117.00 119.15 2bfa n LEU 66 Ca 0.09 -1.93 -0.35 0.00 -0.03 0.00 0.00 56.01 53.79 2bfa n LEU 66 Cb 0.47 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2bfa n LEU 66 CO 0.51 0.77 0.75 -0.55 -1.33 0.00 0.00 177.39 177.55 2bfa s SER 67 N -0.91 6.25 -1.24 -1.43 0.15 -1.26 -2.19 113.70 113.06 2bfa s SER 67 Ca 0.44 2.07 -0.09 0.00 0.70 0.00 0.00 55.95 59.07 2bfa s SER 67 Cb 0.26 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 2bfa s SER 67 CO 0.25 -0.85 2.47 -3.20 1.20 0.00 0.00 173.24 173.10 2bfa n ASN 68 N -0.79 6.33 -4.17 5.45 5.15 0.03 -4.79 115.26 122.46 2bfa n ASN 68 Ca 0.09 -2.48 -0.11 0.00 -0.60 0.00 0.00 54.58 51.48 2bfa n ASN 68 Cb 0.51 -1.33 -0.10 0.00 -0.53 0.00 0.00 39.78 38.33 2bfa n ASN 68 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2bfa s VAL 69 N 2.97 0.36 0.16 3.44 -7.23 -1.26 -4.85 120.40 113.99 2bfa s VAL 69 Ca 0.54 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.62 2bfa s VAL 69 Cb 0.14 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 2bfa s VAL 69 CO -0.04 -0.58 0.61 0.00 -0.31 0.00 0.00 175.10 174.78 2bfa s ALA 70 N -3.86 3.53 0.23 1.32 0.00 -1.26 -3.92 121.76 117.79 2bfa s ALA 70 Ca 0.21 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.26 2bfa s ALA 70 Cb 0.07 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 2bfa s ALA 70 CO 0.00 0.41 -0.20 0.95 0.00 0.00 0.00 175.76 176.92 2bfa s THR 71 N -1.43 2.24 0.14 0.00 -4.23 -0.06 -4.90 115.64 107.39 2bfa s THR 71 Ca 0.38 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 2bfa s THR 71 Cb -0.16 -2.15 -0.07 0.00 1.34 0.00 0.00 72.50 71.46 2bfa s THR 71 CO 0.20 -0.34 1.07 0.00 -0.54 0.00 0.00 174.62 175.00 2bfa s ALA 72 N -2.29 3.33 0.00 3.99 0.00 -1.26 -0.58 121.76 124.95 2bfa s ALA 72 Ca 0.24 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2bfa s ALA 72 Cb -0.05 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2bfa s ALA 72 CO 0.11 -0.18 0.00 -2.30 0.00 0.00 0.00 175.76 173.39 2bfa n PRO 73 N 2.72 0.00 0.00 0.00 -0.02 -1.26 -4.89 135.00 131.55 2bfa n PRO 73 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2bfa n PRO 73 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2bfa n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bfa n ALA 81 N -1.16 -0.72 -1.77 3.55 0.00 -1.26 -5.13 120.51 114.02 2bfa n ALA 81 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bfa n ALA 81 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2bfa n ALA 81 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bfa s PRO 82 N 0.00 4.10 -0.20 0.00 0.02 -1.26 -5.00 135.00 132.67 2bfa s PRO 82 Ca 0.00 2.31 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 2bfa s PRO 82 Cb 0.00 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.58 2bfa s PRO 82 CO 0.00 -0.44 0.45 0.08 -0.33 0.00 0.00 177.00 176.77 2bfa s VAL 83 N -1.18 5.16 0.64 3.83 1.01 0.25 -4.89 120.40 125.22 2bfa s VAL 83 Ca 0.54 0.83 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 2bfa s VAL 83 Cb -0.41 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2bfa s VAL 83 CO 0.55 0.22 0.99 0.42 0.00 0.00 0.00 175.10 177.28 2bfa s THR 84 N 1.40 3.55 0.29 3.92 -4.23 -1.26 -0.89 115.64 118.43 2bfa s THR 84 Ca 0.22 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2bfa s THR 84 Cb -0.15 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.49 2bfa s THR 84 CO 0.09 -0.52 1.95 0.25 -0.54 0.00 0.00 174.62 175.84 2bfa h LEU 85 N -0.39 0.99 0.09 4.79 5.85 -1.87 -2.05 115.31 122.72 2bfa h LEU 85 Ca -0.45 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2bfa h LEU 85 Cb 1.26 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2bfa h LEU 85 CO 0.62 0.73 -0.05 0.15 -0.34 0.00 0.00 178.44 179.55 2bfa h PHE 86 N 1.16 -0.12 -0.31 1.25 3.57 -1.94 0.78 116.94 121.32 2bfa h PHE 86 Ca 0.31 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2bfa h PHE 86 Cb -0.11 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2bfa h PHE 86 CO 0.00 -0.07 -0.01 1.15 -2.23 0.00 0.00 178.31 177.15 2bfa h THR 87 N -0.13 0.77 -0.89 4.41 2.02 -1.89 0.33 112.91 117.53 2bfa h THR 87 Ca -0.01 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.21 2bfa h THR 87 Cb 0.10 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2bfa h THR 87 CO 0.02 0.02 0.58 0.03 0.37 0.00 0.00 175.52 176.54 2bfa h ARG 88 N 0.08 0.97 -0.17 6.66 3.08 -1.06 0.96 114.38 124.89 2bfa h ARG 88 Ca 0.15 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2bfa h ARG 88 Cb 0.20 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2bfa h ARG 88 CO -0.26 0.64 -0.16 0.00 -1.07 0.00 0.00 179.97 179.12 2bfa h ALA 90 N 0.63 1.35 -0.16 0.00 0.00 0.43 -1.12 119.26 120.40 2bfa h ALA 90 Ca 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2bfa h ALA 90 Cb 0.70 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bfa h ALA 90 CO 0.04 0.56 -0.22 0.93 0.00 0.00 0.00 179.25 180.56 2bfa h GLU 91 N 1.26 0.28 0.07 0.00 5.08 -0.75 0.63 114.58 121.15 2bfa h GLU 91 Ca 0.39 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2bfa h GLU 91 Cb -0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2bfa h GLU 91 CO -0.11 0.50 -0.03 1.25 -1.00 0.00 0.00 179.01 179.61 2bfa h LEU 92 N 0.25 -0.08 -0.49 1.33 7.12 -0.55 0.10 115.31 123.00 2bfa h LEU 92 Ca 0.04 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.92 2bfa h LEU 92 Cb 0.54 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 2bfa h LEU 92 CO 0.04 -0.04 -0.16 0.58 -0.13 0.00 0.00 178.44 178.73 2bfa h VAL 93 N -0.11 1.27 -0.87 1.05 2.07 -1.20 -3.02 116.25 115.44 2bfa h VAL 93 Ca -0.01 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.21 2bfa h VAL 93 Cb 0.09 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2bfa h VAL 93 CO 0.02 0.46 0.57 0.00 0.02 0.00 0.00 177.57 178.63 2bfa h ALA 94 N 0.88 1.12 -0.97 1.67 0.00 -0.65 -1.46 119.26 119.86 2bfa h ALA 94 Ca 0.12 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.21 2bfa h ALA 94 Cb 0.73 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2bfa h ALA 94 CO 0.06 0.45 0.64 0.00 0.00 0.00 0.00 179.25 180.40 2bfa h ALA 95 N 1.34 2.25 -0.10 0.00 0.00 -0.66 0.28 119.26 122.36 2bfa h ALA 95 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2bfa h ALA 95 Cb -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bfa h ALA 95 CO -0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 179.25 178.51 2bfa h TYR 97 N -0.16 0.93 -0.89 0.00 -1.99 -0.95 0.82 116.97 114.73 2bfa h TYR 97 Ca 0.02 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.63 2bfa h TYR 97 Cb 0.54 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 38.98 2bfa h TYR 97 CO 0.08 0.85 0.59 1.15 -0.00 0.00 0.00 178.16 180.82 2bfa h THR 98 N 0.74 1.20 0.13 -2.88 2.02 -0.55 0.57 112.91 114.13 2bfa h THR 98 Ca 0.15 -0.40 -0.35 0.00 0.77 0.00 0.00 66.41 66.58 2bfa h THR 98 Cb 0.44 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2bfa h THR 98 CO 0.02 0.21 -1.88 -0.74 0.37 0.00 0.00 175.52 173.50 2bfa h HIS 99 N 1.17 0.48 0.00 3.16 -0.00 -1.20 -3.41 115.15 115.36 2bfa h HIS 99 Ca 0.34 -0.35 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2bfa h HIS 99 Cb -0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 2bfa h HIS 99 CO -0.00 1.65 0.00 0.91 -0.00 0.00 0.00 177.93 180.49 2bfa n TRP 100 N -3.46 0.00 -1.26 5.26 8.01 0.26 -5.01 117.44 121.25 2bfa n TRP 100 Ca -0.28 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.83 2bfa n TRP 100 Cb 1.05 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.32 2bfa n TRP 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bfa n GLY 101 N 0.21 1.05 3.61 6.99 0.00 0.20 -4.96 105.19 112.28 2bfa n GLY 101 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 2bfa n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bfa s ARG 102 N -2.64 0.89 -0.28 1.61 1.70 -1.25 -4.89 118.95 114.08 2bfa s ARG 102 Ca 0.00 -0.41 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 2bfa s ARG 102 Cb 0.00 0.36 0.16 0.00 -0.57 0.00 0.00 34.95 34.90 2bfa s ARG 102 CO 0.00 -0.40 0.44 0.00 -1.08 0.00 0.00 175.30 174.26 2bfa n ASP 104 N 5.37 1.09 -4.05 0.00 8.00 0.05 -4.94 116.55 122.06 2bfa n ASP 104 Ca 0.01 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.52 2bfa n ASP 104 Cb 0.50 -0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.38 2bfa n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bfa s VAL 105 N -2.56 1.00 -0.11 2.53 1.01 -0.48 -1.53 120.40 120.25 2bfa s VAL 105 Ca -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2bfa s VAL 105 Cb 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2bfa s VAL 105 CO 0.79 0.30 -0.15 -0.22 0.00 0.00 0.00 175.10 175.82 2bfa s LEU 106 N 0.07 1.69 -0.31 3.92 2.96 -0.66 0.23 118.68 126.58 2bfa s LEU 106 Ca -0.02 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2bfa s LEU 106 Cb -0.09 -1.07 0.07 0.00 0.50 0.00 0.00 46.19 45.60 2bfa s LEU 106 CO 0.01 0.01 0.01 -0.69 -1.32 0.00 0.00 176.35 174.36 2bfa s VAL 107 N 1.03 2.70 -1.04 1.68 1.01 0.44 -0.40 120.40 125.83 2bfa s VAL 107 Ca -0.06 -1.69 -0.22 0.00 0.00 0.00 0.00 61.98 60.01 2bfa s VAL 107 Cb -0.15 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2bfa s VAL 107 CO -0.02 -0.24 1.46 0.20 0.00 0.00 0.00 175.10 176.50 2bfa s ASN 108 N 1.24 6.54 -0.11 3.32 0.01 0.71 -2.41 114.94 124.23 2bfa s ASN 108 Ca -0.02 -1.57 0.06 0.00 -0.71 0.00 0.00 52.86 50.63 2bfa s ASN 108 Cb -0.20 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.79 2bfa s ASN 108 CO -0.04 -1.46 -0.02 -3.20 -1.51 0.00 0.00 177.10 170.88 2bfa n ASN 109 N 8.73 2.68 -4.63 -1.22 5.15 -1.25 -1.33 115.26 123.39 2bfa n ASN 109 Ca 0.34 -0.02 -0.45 0.00 -0.60 0.00 0.00 54.58 53.84 2bfa n ASN 109 Cb 0.50 0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 40.15 2bfa n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bfa n ALA 110 N -2.55 0.27 -3.62 5.20 0.00 -1.04 -4.88 120.51 113.88 2bfa n ALA 110 Ca -0.19 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 2bfa n ALA 110 Cb 0.80 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 2bfa n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bfa s SER 111 N -0.10 -0.59 0.28 0.00 0.15 -1.26 -4.35 113.70 107.82 2bfa s SER 111 Ca 0.65 0.93 -0.16 0.00 0.70 0.00 0.00 55.95 58.07 2bfa s SER 111 Cb -0.71 1.30 -0.09 0.00 -1.71 0.00 0.00 66.02 64.82 2bfa s SER 111 CO 0.55 -0.14 0.71 -0.44 1.20 0.00 0.00 173.24 175.11 2bfa s SER 112 N 1.51 6.85 -0.30 5.45 0.01 -1.26 -5.03 113.70 120.93 2bfa s SER 112 Ca -0.09 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.48 2bfa s SER 112 Cb -0.04 -2.37 0.16 0.00 0.21 0.00 0.00 66.02 63.97 2bfa s SER 112 CO -0.16 -0.11 0.39 0.12 0.41 0.00 0.00 173.24 173.89 2bfa s PHE 113 N -1.81 -0.83 0.14 2.43 5.36 -1.26 -4.88 117.98 117.13 2bfa s PHE 113 Ca 0.49 0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 56.36 2bfa s PHE 113 Cb -0.12 -0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.36 2bfa s PHE 113 CO 0.19 -0.98 0.46 1.52 -1.46 0.00 0.00 175.22 174.95 2bfa s TYR 114 N 2.35 -0.29 0.42 10.12 -0.85 -1.26 -5.16 117.35 122.68 2bfa s TYR 114 Ca 0.11 0.00 -0.26 0.00 -0.52 0.00 0.00 57.07 56.40 2bfa s TYR 114 Cb -0.13 0.35 -0.09 0.00 0.38 0.00 0.00 41.96 42.47 2bfa s TYR 114 CO -0.27 -0.75 1.38 -2.14 -1.52 0.00 0.00 175.55 172.25 2bfa s PRO 115 N -3.79 3.88 -0.45 -3.49 0.02 -1.26 -4.78 135.00 125.12 2bfa s PRO 115 Ca 0.03 2.33 0.06 0.00 0.02 0.00 0.00 61.00 63.43 2bfa s PRO 115 Cb 0.01 -2.75 0.20 0.00 0.02 0.00 0.00 34.50 31.98 2bfa s PRO 115 CO -0.12 -0.63 0.45 0.25 -0.33 0.00 0.00 177.00 176.63 2bfa n THR 116 N 0.06 -0.45 -1.85 0.99 -2.24 0.11 -4.99 114.28 105.91 2bfa n THR 116 Ca 0.04 -3.93 -0.38 0.00 -2.27 0.00 0.00 64.05 57.52 2bfa n THR 116 Cb 0.42 -1.85 0.04 0.00 -2.10 0.00 0.00 70.33 66.84 2bfa n THR 116 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2bfa s PRO 117 N -0.74 3.03 0.08 -0.78 0.02 -1.19 -4.16 135.00 131.26 2bfa s PRO 117 Ca 0.33 2.09 0.18 0.00 0.02 0.00 0.00 61.00 63.62 2bfa s PRO 117 Cb 0.09 -2.12 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 2bfa s PRO 117 CO -0.15 -1.23 0.86 1.28 -0.33 0.00 0.00 177.00 177.43 2bfa n LEU 118 N -1.28 0.87 -4.17 -5.54 4.77 -1.26 -4.88 117.00 105.50 2bfa n LEU 118 Ca 0.12 0.37 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 2bfa n LEU 118 Cb 0.47 0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.45 2bfa n LEU 118 CO 0.50 0.09 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.37 2bfa s LEU 119 N -5.72 1.97 0.00 2.23 1.43 -1.26 -5.25 118.68 112.08 2bfa s LEU 119 Ca -0.02 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2bfa s LEU 119 Cb 0.09 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2bfa s LEU 119 CO 0.81 0.19 0.00 -1.14 0.23 0.00 0.00 176.35 176.44 2bfa n ARG 120 N 2.96 -0.29 0.00 1.70 0.63 -1.26 -5.14 116.66 115.26 2bfa n ARG 120 Ca -0.17 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 2bfa n ARG 120 Cb 0.53 -0.45 0.00 0.00 0.45 0.00 0.00 32.46 32.99 2bfa n ARG 120 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2bfa n ARG 133 N 1.17 0.00 0.00 -0.14 3.00 -1.26 -4.99 116.66 114.43 2bfa n ARG 133 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 2bfa n ARG 133 Cb 0.16 0.00 0.48 0.00 0.00 0.00 0.00 32.46 33.11 2bfa n ARG 133 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2bfa n GLU 134 N 0.00 0.56 0.31 -0.14 -0.00 -1.26 -3.66 120.64 116.45 2bfa n GLU 134 Ca 0.00 -0.25 0.20 0.00 -0.00 0.00 0.00 57.16 57.10 2bfa n GLU 134 Cb 0.00 -1.49 0.99 0.00 -0.00 0.00 0.00 31.44 30.93 2bfa n GLU 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bfa h ALA 135 N 3.48 1.06 0.01 -1.84 0.00 -2.04 0.13 119.26 120.06 2bfa h ALA 135 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2bfa h ALA 135 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2bfa h ALA 135 CO 0.00 0.02 -0.91 0.52 0.00 0.00 0.00 179.25 178.88 2bfa h MET 136 N 0.00 0.18 0.09 0.00 2.86 -1.99 -2.03 114.93 114.04 2bfa h MET 136 Ca -0.00 -0.21 -0.27 0.00 -2.06 0.00 0.00 59.70 57.16 2bfa h MET 136 Cb 0.20 0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.93 2bfa h MET 136 CO 0.00 0.97 -1.16 0.93 1.06 0.00 0.00 176.91 178.71 2bfa h GLU 137 N 0.09 0.46 -0.29 1.72 5.08 -1.09 -2.00 114.58 118.55 2bfa h GLU 137 Ca -0.05 -0.62 -0.16 0.00 -1.00 0.00 0.00 59.36 57.53 2bfa h GLU 137 Cb 1.56 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 2bfa h GLU 137 CO 0.14 1.25 -0.47 1.15 -1.00 0.00 0.00 179.01 180.08 2bfa h THR 138 N 0.20 1.29 -0.34 1.13 2.02 -0.92 -2.25 112.91 114.03 2bfa h THR 138 Ca -0.14 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 2bfa h THR 138 Cb 1.84 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2bfa h THR 138 CO 0.21 0.54 0.02 0.00 0.37 0.00 0.00 175.52 176.65 2bfa h ALA 139 N 0.85 0.46 0.08 6.16 0.00 -1.42 -0.55 119.26 124.84 2bfa h ALA 139 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bfa h ALA 139 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2bfa h ALA 139 CO 0.10 0.20 -0.04 1.15 0.00 0.00 0.00 179.25 180.66 2bfa h THR 140 N 0.40 0.92 -0.53 0.00 2.02 -1.32 0.65 112.91 115.05 2bfa h THR 140 Ca 0.10 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 2bfa h THR 140 Cb 0.43 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2bfa h THR 140 CO 0.01 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.92 2bfa h ALA 141 N 0.80 1.02 0.20 6.16 0.00 -1.40 -0.52 119.26 125.53 2bfa h ALA 141 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2bfa h ALA 141 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bfa h ALA 141 CO 0.02 0.61 -0.10 0.22 0.00 0.00 0.00 179.25 180.00 2bfa h ASP 142 N 0.83 -0.23 -0.53 0.00 3.58 -0.66 0.96 116.42 120.37 2bfa h ASP 142 Ca 0.16 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 2bfa h ASP 142 Cb 0.47 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2bfa h ASP 142 CO 0.02 0.27 0.07 -0.07 -2.88 0.00 0.00 179.24 176.65 2bfa h LEU 143 N -0.83 0.86 -0.29 2.28 3.38 0.28 -2.30 115.31 118.70 2bfa h LEU 143 Ca -0.03 -0.27 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 2bfa h LEU 143 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2bfa h LEU 143 CO 0.05 0.91 -0.87 -0.26 0.09 0.00 0.00 178.44 178.36 2bfa h PHE 144 N 0.78 0.40 0.73 1.13 0.04 -1.20 -3.01 116.94 115.81 2bfa h PHE 144 Ca 0.16 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2bfa h PHE 144 Cb 0.43 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.54 2bfa h PHE 144 CO 0.03 1.01 -0.35 0.78 -0.60 0.00 0.00 178.31 179.18 2bfa h GLY 145 N 1.61 -1.03 0.96 -1.45 0.00 -0.78 0.51 103.07 102.89 2bfa h GLY 145 Ca -0.05 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2bfa h GLY 145 CO 0.14 -0.37 0.19 1.48 0.00 0.00 0.00 176.54 177.97 2bfa h SER 146 N -1.22 0.48 1.14 0.19 4.64 -0.92 0.52 113.55 118.38 2bfa h SER 146 Ca -0.10 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 60.94 2bfa h SER 146 Cb 0.77 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2bfa h SER 146 CO 0.16 0.45 -0.81 0.78 -0.87 0.00 0.00 176.83 176.55 2bfa h ASN 147 N 0.47 0.00 0.00 4.97 2.35 -1.62 -3.40 115.58 118.35 2bfa h ASN 147 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2bfa h ASN 147 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2bfa h ASN 147 CO -0.02 0.81 -0.11 0.00 -1.65 0.00 0.00 177.43 176.46 2bfa n ALA 148 N -2.31 3.00 -0.10 -0.83 0.00 -0.32 -4.56 120.51 115.40 2bfa n ALA 148 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2bfa n ALA 148 Cb 0.85 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.37 2bfa n ALA 148 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bfa h ILE 149 N 0.00 1.30 -0.03 0.00 2.04 -0.81 -1.67 117.51 118.33 2bfa h ILE 149 Ca 0.00 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.60 2bfa h ILE 149 Cb 0.11 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2bfa h ILE 149 CO 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 2bfa h ALA 150 N 0.75 0.02 -0.92 1.87 0.00 -0.17 -1.54 119.26 119.26 2bfa h ALA 150 Ca 0.06 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.15 2bfa h ALA 150 Cb 0.69 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 2bfa h ALA 150 CO 0.05 -0.50 0.52 -1.35 0.00 0.00 0.00 179.25 177.97 2bfa h PRO 151 N -0.01 0.69 0.34 0.00 0.11 -1.72 0.30 132.00 131.71 2bfa h PRO 151 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2bfa h PRO 151 Cb 0.04 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2bfa h PRO 151 CO -0.04 0.46 -0.16 -0.92 -0.21 0.00 0.00 178.00 177.12 2bfa h TYR 152 N 0.71 -0.42 -0.71 0.65 3.20 -0.72 0.37 116.97 120.05 2bfa h TYR 152 Ca 0.51 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.38 2bfa h TYR 152 Cb 0.73 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 2bfa h TYR 152 CO -0.05 -0.23 0.47 0.74 -1.64 0.00 0.00 178.16 177.45 2bfa h PHE 153 N -0.50 0.90 -0.45 -3.82 0.04 -0.58 -0.84 116.94 111.70 2bfa h PHE 153 Ca -0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2bfa h PHE 153 Cb 0.38 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2bfa h PHE 153 CO -0.04 0.57 0.29 -0.07 -0.60 0.00 0.00 178.31 178.46 2bfa h LEU 154 N 0.97 0.48 -0.69 1.54 3.38 -0.28 0.16 115.31 120.87 2bfa h LEU 154 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2bfa h LEU 154 Cb -0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2bfa h LEU 154 CO -0.06 0.35 0.32 0.40 0.09 0.00 0.00 178.44 179.55 2bfa h ILE 155 N 0.58 1.23 0.17 1.22 2.04 -0.58 0.16 117.51 122.33 2bfa h ILE 155 Ca 0.17 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2bfa h ILE 155 Cb -0.04 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2bfa h ILE 155 CO -0.05 0.28 -0.11 0.50 0.00 0.00 0.00 178.15 178.76 2bfa h LYS 156 N 0.96 -0.26 -0.61 2.37 3.64 -0.64 0.13 116.57 122.16 2bfa h LYS 156 Ca 0.24 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2bfa h LYS 156 Cb 0.13 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2bfa h LYS 156 CO -0.03 -0.18 0.37 0.00 -2.27 0.00 0.00 179.45 177.34 2bfa h ALA 157 N 0.55 0.79 -0.38 5.00 0.00 -0.40 -0.65 119.26 124.18 2bfa h ALA 157 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bfa h ALA 157 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2bfa h ALA 157 CO 0.01 0.09 0.20 0.35 0.00 0.00 0.00 179.25 179.90 2bfa h PHE 158 N 0.72 0.38 -0.45 0.00 3.04 -0.30 -2.39 116.94 117.93 2bfa h PHE 158 Ca 0.25 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 2bfa h PHE 158 Cb 0.05 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 2bfa h PHE 158 CO -0.06 0.21 -0.06 0.00 -2.02 0.00 0.00 178.31 176.37 2bfa h ALA 159 N 1.18 0.62 -0.11 2.41 0.00 -0.36 -2.82 119.26 120.18 2bfa h ALA 159 Ca 0.15 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2bfa h ALA 159 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2bfa h ALA 159 CO -0.09 0.47 -0.22 1.25 0.00 0.00 0.00 179.25 180.66 2bfa h HIS 160 N 0.68 -0.57 -0.93 0.00 -0.00 -0.93 0.31 115.15 113.70 2bfa h HIS 160 Ca 0.12 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.60 2bfa h HIS 160 Cb 0.59 0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.20 2bfa h HIS 160 CO 0.05 -0.30 0.58 0.00 -0.00 0.00 0.00 177.93 178.25 2bfa h ARG 161 N -0.29 0.98 -0.19 5.26 2.47 -1.37 0.21 114.38 121.45 2bfa h ARG 161 Ca 0.09 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2bfa h ARG 161 Cb 0.42 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2bfa h ARG 161 CO -0.28 0.65 -0.02 0.28 0.56 0.00 0.00 179.97 181.17 2bfa h VAL 162 N 1.01 1.27 -0.79 2.04 2.07 -1.20 -2.35 116.25 118.29 2bfa h VAL 162 Ca 0.42 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2bfa h VAL 162 Cb 0.26 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2bfa h VAL 162 CO -0.20 0.28 0.51 0.00 0.02 0.00 0.00 177.57 178.17 2bfa h ALA 163 N 0.76 1.40 0.00 1.67 0.00 -0.16 -1.06 119.26 121.88 2bfa h ALA 163 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bfa h ALA 163 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bfa h ALA 163 CO 0.01 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2bfa n GLY 164 N -1.37 -1.28 3.71 0.00 0.00 0.65 -4.69 105.19 102.22 2bfa n GLY 164 Ca 0.09 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2bfa n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bfa s THR 165 N -3.03 5.07 0.25 2.61 2.01 -0.40 -5.02 115.64 117.12 2bfa s THR 165 Ca 0.10 1.36 -0.31 0.00 0.31 0.00 0.00 61.69 63.15 2bfa s THR 165 Cb 0.14 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 2bfa s THR 165 CO 0.41 0.26 1.57 -2.65 -0.69 0.00 0.00 174.62 173.51 2bfa n PRO 166 N 3.83 2.48 -0.34 4.92 -0.02 -1.26 -4.83 135.00 139.77 2bfa n PRO 166 Ca -0.02 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.32 2bfa n PRO 166 Cb 0.51 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 2bfa n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bfa n ALA 167 N 2.58 -0.18 0.31 3.55 0.00 -1.26 -0.37 120.51 125.15 2bfa n ALA 167 Ca 0.12 0.85 0.19 0.00 0.00 0.00 0.00 53.44 54.60 2bfa n ALA 167 Cb 0.34 -0.34 1.02 0.00 0.00 0.00 0.00 19.45 20.46 2bfa n ALA 167 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2bfa h LYS 168 N 0.00 0.00 -0.39 0.00 -0.00 -2.02 -1.57 116.57 112.58 2bfa h LYS 168 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.93 2bfa h LYS 168 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.72 2bfa h LYS 168 CO -0.86 0.00 0.00 0.72 -0.00 0.00 0.00 179.45 179.31 2bfa n HIS 169 N -3.17 0.52 -2.25 0.07 8.25 0.51 -5.00 115.22 114.14 2bfa n HIS 169 Ca -0.02 -0.39 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 2bfa n HIS 169 Cb 0.21 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 2bfa n HIS 169 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2bfa s ARG 170 N -1.08 3.76 0.98 -0.41 0.52 -0.59 -4.94 118.95 117.18 2bfa s ARG 170 Ca 0.30 0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 56.38 2bfa s ARG 170 Cb 0.16 -2.10 0.18 0.00 0.52 0.00 0.00 34.95 33.71 2bfa s ARG 170 CO 0.22 -0.44 1.10 0.20 0.02 0.00 0.00 175.30 176.40 2bfa s GLY 171 N -3.14 1.57 0.00 -3.53 0.00 -1.26 -4.99 107.32 95.97 2bfa s GLY 171 Ca 0.59 -0.34 0.17 0.00 0.00 0.00 0.00 44.72 45.15 2bfa s GLY 171 CO 0.35 0.25 1.03 -1.30 0.00 0.00 0.00 173.10 173.44 2bfa n THR 172 N -4.10 0.00 -3.00 0.90 -2.24 -1.26 -4.74 114.28 99.85 2bfa n THR 172 Ca 0.06 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 2bfa n THR 172 Cb 0.57 1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 70.13 2bfa n THR 172 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bfa n ASN 173 N 0.86 -1.11 -4.70 3.42 5.15 -1.26 -5.09 115.26 112.53 2bfa n ASN 173 Ca 0.10 -2.99 -0.42 0.00 -0.60 0.00 0.00 54.58 50.66 2bfa n ASN 173 Cb 0.43 0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 40.09 2bfa n ASN 173 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2bfa s TYR 174 N -0.45 3.55 -0.04 1.20 2.02 -1.26 -4.76 117.35 117.61 2bfa s TYR 174 Ca 0.34 1.61 -0.01 0.00 -0.37 0.00 0.00 57.07 58.63 2bfa s TYR 174 Cb 0.21 -3.18 0.03 0.00 -0.40 0.00 0.00 41.96 38.62 2bfa s TYR 174 CO -0.16 -0.23 0.09 0.45 -1.57 0.00 0.00 175.55 174.12 2bfa s SER 175 N 1.08 0.13 -0.19 2.29 0.15 -0.58 -2.16 113.70 114.42 2bfa s SER 175 Ca 0.50 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 2bfa s SER 175 Cb -0.20 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2bfa s SER 175 CO 0.22 -0.15 -0.13 -0.63 1.20 0.00 0.00 173.24 173.75 2bfa s ILE 176 N 1.28 2.73 -0.20 6.45 1.01 0.53 -1.66 121.20 131.35 2bfa s ILE 176 Ca -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 2bfa s ILE 176 Cb -0.12 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 2bfa s ILE 176 CO -0.04 0.49 -0.02 -0.63 0.00 0.00 0.00 174.94 174.74 2bfa s ILE 177 N 1.20 3.77 -0.32 2.92 -1.09 0.47 -1.50 121.20 126.65 2bfa s ILE 177 Ca 0.02 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.96 2bfa s ILE 177 Cb -0.14 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2bfa s ILE 177 CO -0.05 0.44 0.19 0.20 -1.23 0.00 0.00 174.94 174.48 2bfa s ASN 178 N 1.02 5.77 -0.53 3.58 0.01 0.33 -0.21 114.94 124.92 2bfa s ASN 178 Ca 0.01 -0.44 -0.28 0.00 -0.71 0.00 0.00 52.86 51.44 2bfa s ASN 178 Cb -0.14 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.46 2bfa s ASN 178 CO 0.01 -0.20 1.53 -0.04 -1.51 0.00 0.00 177.10 176.90 2bfa s MET 179 N 1.67 3.22 0.00 -0.60 -1.94 -0.44 -1.55 119.30 119.66 2bfa s MET 179 Ca 0.05 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 2bfa s MET 179 Cb -0.17 -4.17 0.00 0.00 2.01 0.00 0.00 34.83 32.50 2bfa s MET 179 CO 0.08 -2.03 0.00 1.33 -0.01 0.00 0.00 175.02 174.39 2bfa n VAL 180 N 7.00 0.00 -3.67 -6.03 0.24 0.14 -4.91 118.33 111.09 2bfa n VAL 180 Ca 0.15 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.25 2bfa n VAL 180 Cb 0.49 -0.28 -0.18 0.00 -1.47 0.00 0.00 33.84 32.40 2bfa n VAL 180 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bfa s ASP 181 N -0.75 1.22 0.55 -1.34 -1.08 -1.26 -4.05 116.67 109.95 2bfa s ASP 181 Ca 0.00 0.03 0.36 0.00 -0.52 0.00 0.00 52.55 52.43 2bfa s ASP 181 Cb 0.00 -0.14 1.79 0.00 -1.46 0.00 0.00 42.92 43.11 2bfa s ASP 181 CO 0.00 -0.26 2.10 0.00 0.52 0.00 0.00 175.17 177.53 2bfa h ALA 182 N 8.44 1.00 -0.02 3.66 0.00 -1.18 -3.15 119.26 128.01 2bfa h ALA 182 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bfa h ALA 182 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bfa h ALA 182 CO 0.16 0.00 -0.05 -1.33 0.00 0.00 0.00 179.25 178.03 2bfa n MET 183 N -2.91 1.35 0.31 0.00 2.81 -1.26 -4.59 117.12 112.84 2bfa n MET 183 Ca -0.01 -1.37 0.19 0.00 -1.81 0.00 0.00 57.70 54.70 2bfa n MET 183 Cb 0.16 -1.31 1.03 0.00 -0.71 0.00 0.00 33.22 32.40 2bfa n MET 183 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2bfa h THR 184 N 2.99 0.20 0.00 2.03 1.35 -1.94 0.11 112.91 117.65 2bfa h THR 184 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2bfa h THR 184 Cb 0.66 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2bfa h THR 184 CO 0.00 0.02 0.00 0.59 -0.25 0.00 0.00 175.52 175.88 2bfa n ASN 185 N -3.33 0.44 -3.44 5.36 5.03 -1.26 -3.33 115.26 114.73 2bfa n ASN 185 Ca -0.02 0.57 -0.27 0.00 0.87 0.00 0.00 54.58 55.73 2bfa n ASN 185 Cb 0.12 -0.68 -0.08 0.00 -1.02 0.00 0.00 39.78 38.11 2bfa n ASN 185 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bfa n GLN 186 N -1.95 2.21 -1.42 3.52 6.02 0.38 -5.10 117.38 121.04 2bfa n GLN 186 Ca 0.04 -4.46 -0.41 0.00 -0.01 0.00 0.00 57.00 52.16 2bfa n GLN 186 Cb 0.29 -2.13 0.01 0.00 1.02 0.00 0.00 30.24 29.44 2bfa n GLN 186 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2bfa n PRO 187 N 1.05 0.45 -3.02 -1.09 -0.02 -1.21 -4.91 135.00 126.26 2bfa n PRO 187 Ca 0.28 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2bfa n PRO 187 Cb 0.42 -1.44 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 2bfa n PRO 187 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bfa s LEU 188 N 2.16 4.13 -0.40 2.45 2.96 -1.26 -4.98 118.68 123.74 2bfa s LEU 188 Ca 0.63 0.47 -0.45 0.00 -0.22 0.00 0.00 54.13 54.57 2bfa s LEU 188 Cb -0.57 -2.96 -0.19 0.00 0.50 0.00 0.00 46.19 42.97 2bfa s LEU 188 CO 0.59 -0.60 1.59 -0.11 -1.32 0.00 0.00 176.35 176.50 2bfa n LEU 189 N 6.13 1.43 0.00 -0.68 7.94 -1.26 -1.60 117.00 128.96 2bfa n LEU 189 Ca 0.02 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2bfa n LEU 189 Cb 0.48 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2bfa n LEU 189 CO 0.50 -0.82 0.00 0.61 -1.11 0.00 0.00 177.39 176.57 2bfa n GLY 190 N 3.84 0.75 1.92 -3.96 0.00 -1.26 -4.96 105.19 101.53 2bfa n GLY 190 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 2bfa n GLY 190 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bfa n TYR 191 N -2.29 2.53 -0.04 1.61 4.02 -0.63 0.04 117.16 122.41 2bfa n TYR 191 Ca 0.00 -2.31 -0.10 0.00 -0.01 0.00 0.00 57.90 55.48 2bfa n TYR 191 Cb 0.00 -0.64 -0.04 0.00 -0.02 0.00 0.00 39.34 38.65 2bfa n TYR 191 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2bfa h THR 192 N 1.67 0.23 -0.18 -0.72 2.02 -1.81 -0.00 112.91 114.13 2bfa h THR 192 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 2bfa h THR 192 Cb 1.37 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2bfa h THR 192 CO 0.89 0.00 0.04 0.40 0.37 0.00 0.00 175.52 177.21 2bfa h ILE 193 N -0.37 0.93 -0.48 3.11 1.08 -1.90 0.26 117.51 120.15 2bfa h ILE 193 Ca 0.11 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2bfa h ILE 193 Cb 0.56 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 2bfa h ILE 193 CO -0.42 0.02 0.22 0.22 -0.69 0.00 0.00 178.15 177.50 2bfa h TYR 194 N 0.11 0.40 -0.75 1.37 3.20 -1.77 0.17 116.97 119.71 2bfa h TYR 194 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2bfa h TYR 194 Cb 0.07 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2bfa h TYR 194 CO -0.13 0.19 0.47 1.15 -1.64 0.00 0.00 178.16 178.19 2bfa h THR 195 N 0.44 1.21 -0.36 1.81 2.02 -0.41 -1.12 112.91 116.50 2bfa h THR 195 Ca 0.21 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2bfa h THR 195 Cb 0.15 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2bfa h THR 195 CO -0.17 0.21 0.20 0.24 0.37 0.00 0.00 175.52 176.37 2bfa h MET 196 N 1.02 0.50 -0.68 6.66 2.86 0.20 -1.70 114.93 123.78 2bfa h MET 196 Ca 0.27 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2bfa h MET 196 Cb -0.06 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2bfa h MET 196 CO -0.05 0.40 0.39 0.00 1.06 0.00 0.00 176.91 178.71 2bfa h ALA 197 N 1.07 1.42 -0.50 6.32 0.00 -0.10 -0.46 119.26 127.01 2bfa h ALA 197 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2bfa h ALA 197 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2bfa h ALA 197 CO -0.02 0.49 -0.16 0.87 0.00 0.00 0.00 179.25 180.43 2bfa h LYS 198 N 0.94 0.97 -0.97 0.00 6.56 -0.95 -0.52 116.57 122.60 2bfa h LYS 198 Ca 0.24 -0.38 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2bfa h LYS 198 Cb -0.01 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.55 2bfa h LYS 198 CO -0.04 1.05 0.60 0.78 -2.06 0.00 0.00 179.45 179.78 2bfa h GLY 199 N 0.92 1.39 1.30 3.86 0.00 -0.37 0.25 103.07 110.42 2bfa h GLY 199 Ca 0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2bfa h GLY 199 CO 0.06 0.54 -0.11 0.00 0.00 0.00 0.00 176.54 177.03 2bfa h ALA 200 N 1.34 0.95 -0.78 3.60 0.00 -0.78 -1.77 119.26 121.82 2bfa h ALA 200 Ca 0.35 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2bfa h ALA 200 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2bfa h ALA 200 CO -0.07 0.62 0.30 1.25 0.00 0.00 0.00 179.25 181.35 2bfa h LEU 201 N 0.75 1.08 -0.85 0.00 5.85 -0.20 0.11 115.31 122.04 2bfa h LEU 201 Ca 0.12 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2bfa h LEU 201 Cb 0.61 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2bfa h LEU 201 CO 0.04 0.96 0.49 -0.33 -0.34 0.00 0.00 178.44 179.26 2bfa h GLU 202 N 1.14 1.17 -0.60 1.25 5.08 -0.64 -1.21 114.58 120.77 2bfa h GLU 202 Ca 0.26 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2bfa h GLU 202 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2bfa h GLU 202 CO -0.02 0.85 0.07 0.78 -1.00 0.00 0.00 179.01 179.68 2bfa h GLY 203 N 1.18 1.09 1.21 -3.84 0.00 -0.72 -2.63 103.07 99.35 2bfa h GLY 203 Ca 0.30 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2bfa h GLY 203 CO -0.05 0.69 0.47 -2.00 0.00 0.00 0.00 176.54 175.64 2bfa h LEU 204 N 0.91 0.93 -0.25 3.11 5.85 -0.28 -1.21 115.31 124.36 2bfa h LEU 204 Ca 0.18 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2bfa h LEU 204 Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2bfa h LEU 204 CO 0.02 0.72 0.15 0.74 -0.34 0.00 0.00 178.44 179.72 2bfa h THR 205 N 1.07 1.10 -0.28 1.05 2.02 -0.88 0.30 112.91 117.29 2bfa h THR 205 Ca 0.28 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2bfa h THR 205 Cb -0.04 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2bfa h THR 205 CO -0.05 0.09 -0.26 0.03 0.37 0.00 0.00 175.52 175.71 2bfa h ARG 206 N 0.31 0.66 -0.26 6.66 3.08 -1.19 -1.61 114.38 122.02 2bfa h ARG 206 Ca 0.09 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 2bfa h ARG 206 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2bfa h ARG 206 CO -0.02 0.95 -0.05 1.03 -1.07 0.00 0.00 179.97 180.81 2bfa h SER 207 N 0.39 0.50 -0.56 7.04 0.87 -1.13 -2.68 113.55 117.97 2bfa h SER 207 Ca 0.05 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 2bfa h SER 207 Cb 0.82 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2bfa h SER 207 CO 0.06 0.74 0.15 0.00 -0.53 0.00 0.00 176.83 177.25 2bfa h ALA 208 N 0.78 0.74 -0.15 6.23 0.00 -0.42 -1.58 119.26 124.86 2bfa h ALA 208 Ca 0.07 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2bfa h ALA 208 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2bfa h ALA 208 CO 0.02 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 2bfa h ALA 209 N 1.03 0.07 0.13 0.00 0.00 -1.26 0.98 119.26 120.21 2bfa h ALA 209 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2bfa h ALA 209 Cb 0.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bfa h ALA 209 CO 0.00 -0.51 -0.06 1.25 0.00 0.00 0.00 179.25 179.93 2bfa h LEU 210 N -0.04 -0.15 -1.00 0.00 5.85 -1.32 -1.61 115.31 117.04 2bfa h LEU 210 Ca 0.08 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2bfa h LEU 210 Cb 0.16 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2bfa h LEU 210 CO -0.18 -0.03 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.45 2bfa h GLU 211 N -0.25 0.28 -0.01 1.25 4.81 -1.13 -3.08 114.58 116.44 2bfa h GLU 211 Ca -0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2bfa h GLU 211 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2bfa h GLU 211 CO 0.03 0.60 -0.15 1.28 -0.73 0.00 0.00 179.01 180.04 2bfa n LEU 212 N -4.07 1.43 -0.19 1.64 4.77 0.32 -4.36 117.00 116.54 2bfa n LEU 212 Ca -0.01 -0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 55.51 2bfa n LEU 212 Cb 0.44 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2bfa n LEU 212 CO 0.41 0.25 0.97 0.00 -1.33 0.00 0.00 177.39 177.70 2bfa h ALA 213 N 4.04 0.73 -0.31 -1.18 0.00 -1.19 -1.26 119.26 120.08 2bfa h ALA 213 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2bfa h ALA 213 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bfa h ALA 213 CO 0.00 -0.21 0.29 -1.35 0.00 0.00 0.00 179.25 177.98 2bfa h PRO 214 N 0.38 0.00 -0.33 0.00 0.11 -1.81 0.33 132.00 130.69 2bfa h PRO 214 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2bfa h PRO 214 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2bfa h PRO 214 CO -0.30 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.77 2bfa n LEU 215 N -3.99 2.34 -2.79 2.35 4.77 -0.50 -4.93 117.00 114.25 2bfa n LEU 215 Ca 0.05 -1.07 -0.22 0.00 -0.03 0.00 0.00 56.01 54.74 2bfa n LEU 215 Cb 0.44 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2bfa n LEU 215 CO 0.30 0.53 -0.10 0.00 -1.33 0.00 0.00 177.39 176.79 2bfa n GLN 216 N 0.77 -3.64 -3.44 3.23 6.02 0.12 -4.96 117.38 115.48 2bfa n GLN 216 Ca 0.16 0.93 -0.42 0.00 -0.01 0.00 0.00 57.00 57.67 2bfa n GLN 216 Cb 0.41 -5.72 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 2bfa n GLN 216 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bfa s ILE 217 N -3.11 5.22 0.24 5.09 1.01 -1.03 -4.20 121.20 124.41 2bfa s ILE 217 Ca 0.19 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 2bfa s ILE 217 Cb -0.08 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2bfa s ILE 217 CO 0.23 -0.25 0.84 -0.13 0.00 0.00 0.00 174.94 175.63 2bfa s ARG 218 N 1.83 4.52 -0.12 2.79 0.52 -0.92 -4.22 118.95 123.34 2bfa s ARG 218 Ca 0.08 1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 56.44 2bfa s ARG 218 Cb -0.18 -3.00 0.04 0.00 0.52 0.00 0.00 34.95 32.33 2bfa s ARG 218 CO 0.11 0.42 0.02 0.08 0.02 0.00 0.00 175.30 175.95 2bfa s VAL 219 N -1.41 0.38 0.24 3.52 1.01 -1.26 -0.35 120.40 122.53 2bfa s VAL 219 Ca 0.43 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2bfa s VAL 219 Cb -0.20 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2bfa s VAL 219 CO 0.25 0.06 0.06 0.20 0.00 0.00 0.00 175.10 175.66 2bfa s ASN 220 N 1.95 1.34 0.08 3.32 0.01 -0.57 0.58 114.94 121.66 2bfa s ASN 220 Ca 0.03 -1.32 0.10 0.00 -0.71 0.00 0.00 52.86 50.96 2bfa s ASN 220 Cb -0.14 0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.61 2bfa s ASN 220 CO -0.06 -0.66 -0.26 -0.83 -1.51 0.00 0.00 177.10 173.78 2bfa s GLY 221 N -3.29 1.44 -0.13 0.66 0.00 0.49 -0.51 107.32 105.97 2bfa s GLY 221 Ca 0.33 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2bfa s GLY 221 CO 0.11 -1.25 -0.18 0.14 0.00 0.00 0.00 173.10 171.92 2bfa s VAL 222 N -0.91 1.77 -0.34 1.40 1.01 -0.59 -0.98 120.40 121.76 2bfa s VAL 222 Ca 0.12 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2bfa s VAL 222 Cb -0.10 -1.60 0.10 0.00 0.00 0.00 0.00 36.38 34.77 2bfa s VAL 222 CO 0.04 0.49 0.04 -0.83 0.00 0.00 0.00 175.10 174.84 2bfa s GLY 223 N 1.05 1.91 0.81 4.51 0.00 -0.16 0.23 107.32 115.68 2bfa s GLY 223 Ca -0.03 -2.44 -0.11 0.00 0.00 0.00 0.00 44.72 42.14 2bfa s GLY 223 CO -0.05 0.90 1.09 -4.14 0.00 0.00 0.00 173.10 170.91 2bfa s PRO 224 N 0.95 1.98 0.00 2.90 0.02 -1.26 -0.91 135.00 138.68 2bfa s PRO 224 Ca 0.08 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.08 2bfa s PRO 224 Cb -0.19 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2bfa s PRO 224 CO -0.07 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.22 2bfa n GLY 225 N -1.36 -0.24 3.06 0.52 0.00 -1.15 -1.05 105.19 104.97 2bfa n GLY 225 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2bfa n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bfa s LEU 226 N -2.75 3.17 -0.05 0.99 1.43 -1.26 -4.90 118.68 115.30 2bfa s LEU 226 Ca 0.00 -1.27 0.04 0.00 -1.03 0.00 0.00 54.13 51.87 2bfa s LEU 226 Cb 0.00 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 2bfa s LEU 226 CO 0.00 -0.17 -0.16 -0.44 0.23 0.00 0.00 176.35 175.81 2bfa s SER 227 N 1.16 2.06 -1.08 2.29 0.01 -1.26 0.09 113.70 116.97 2bfa s SER 227 Ca -0.07 -0.34 -0.27 0.00 1.31 0.00 0.00 55.95 56.58 2bfa s SER 227 Cb -0.19 -0.63 0.04 0.00 0.21 0.00 0.00 66.02 65.45 2bfa s SER 227 CO -0.06 0.13 0.63 1.33 0.41 0.00 0.00 173.24 175.68 2bfa n VAL 228 N 3.24 -2.58 -1.69 3.43 0.24 0.28 -4.80 118.33 116.45 2bfa n VAL 228 Ca -0.19 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 61.24 2bfa n VAL 228 Cb 0.53 -2.22 -0.01 0.00 -1.47 0.00 0.00 33.84 30.67 2bfa n VAL 228 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2bfa n LEU 229 N -4.42 3.40 0.17 1.34 4.77 -1.26 -5.10 117.00 115.90 2bfa n LEU 229 Ca -0.15 1.20 0.12 0.00 -0.03 0.00 0.00 56.01 57.15 2bfa n LEU 229 Cb 0.56 -1.47 0.62 0.00 -2.33 0.00 0.00 43.42 40.80 2bfa n LEU 229 CO 0.69 -0.53 0.86 0.58 -1.33 0.00 0.00 177.39 177.67 2bfa h VAL 230 N 2.61 0.00 0.00 4.08 2.07 -2.04 -3.53 116.25 119.44 2bfa h VAL 230 Ca -0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2bfa h VAL 230 Cb 1.28 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2bfa h VAL 230 CO 0.65 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 177.10 2bfa n ARG 242 N -2.32 0.00 0.00 1.57 0.63 -1.26 -5.30 116.66 109.98 2bfa n ARG 242 Ca -0.01 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.96 2bfa n ARG 242 Cb 0.07 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.20 2bfa n ARG 242 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2bfa n SER 243 N 0.00 0.00 0.05 6.15 3.41 -1.26 -2.11 113.62 119.85 2bfa n SER 243 Ca 0.00 0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.65 2bfa n SER 243 Cb 0.00 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 2bfa n SER 243 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2bfa h LYS 244 N 0.00 0.00 -6.20 4.33 1.79 -1.97 -3.46 116.57 111.06 2bfa h LYS 244 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2bfa h LYS 244 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2bfa h LYS 244 CO 0.00 0.48 1.30 0.08 -1.08 0.00 0.00 179.45 180.23 2bfa s VAL 245 N -2.83 3.34 0.28 0.50 1.01 -0.90 -4.88 120.40 116.92 2bfa s VAL 245 Ca -0.01 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2bfa s VAL 245 Cb 0.08 -3.40 0.27 0.00 0.00 0.00 0.00 36.38 33.33 2bfa s VAL 245 CO 0.80 -0.21 1.80 1.55 0.00 0.00 0.00 175.10 179.04 2bfa h PRO 246 N 12.69 0.79 -5.70 2.72 0.13 -1.83 -1.20 132.00 139.61 2bfa h PRO 246 Ca -0.38 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 2bfa h PRO 246 Cb 1.19 -0.18 -0.12 0.00 0.13 0.00 0.00 31.00 32.02 2bfa h PRO 246 CO 0.99 0.52 0.30 -1.17 -0.23 0.00 0.00 178.00 178.42 2bfa s LEU 247 N -10.29 4.21 0.00 1.56 2.96 -0.65 -4.19 118.68 112.28 2bfa s LEU 247 Ca -0.12 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2bfa s LEU 247 Cb 0.23 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.98 2bfa s LEU 247 CO 0.80 -0.75 0.00 -1.22 -1.32 0.00 0.00 176.35 173.85 2bfa n TYR 248 N 6.41 0.00 -3.70 5.38 4.01 -1.26 -4.05 117.16 123.95 2bfa n TYR 248 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 2bfa n TYR 248 Cb 0.48 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 2bfa n TYR 248 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bfa n GLN 249 N -1.88 -5.37 -3.48 -0.72 3.00 -0.45 -4.98 117.38 103.50 2bfa n GLN 249 Ca 0.00 0.65 -0.14 0.00 -0.01 0.00 0.00 57.00 57.51 2bfa n GLN 249 Cb 0.00 -5.35 -0.04 0.00 0.00 0.00 0.00 30.24 24.86 2bfa n GLN 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2bfa s ARG 250 N -6.02 1.17 0.96 -1.09 1.70 -1.05 -4.11 118.95 110.50 2bfa s ARG 250 Ca 0.14 -0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 55.00 2bfa s ARG 250 Cb -0.07 0.54 0.16 0.00 -0.57 0.00 0.00 34.95 35.02 2bfa s ARG 250 CO 0.80 -0.47 1.09 0.16 -1.08 0.00 0.00 175.30 175.80 2bfa s ASP 251 N -2.27 2.93 0.50 -2.89 -4.77 -1.26 -4.83 116.67 104.09 2bfa s ASP 251 Ca -0.03 1.41 -0.03 0.00 -3.30 0.00 0.00 52.55 50.60 2bfa s ASP 251 Cb -0.01 -2.08 -0.00 0.00 -1.09 0.00 0.00 42.92 39.74 2bfa s ASP 251 CO -0.06 -2.97 0.77 -0.94 0.70 0.00 0.00 175.17 172.67 2bfa s SER 252 N -3.33 5.82 0.67 2.11 1.04 0.11 -4.82 113.70 115.30 2bfa s SER 252 Ca 0.65 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.54 2bfa s SER 252 Cb -0.19 -1.72 0.04 0.00 0.10 0.00 0.00 66.02 64.25 2bfa s SER 252 CO 0.58 -0.80 1.00 -0.94 0.98 0.00 0.00 173.24 174.06 2bfa s SER 253 N -4.23 5.18 0.17 7.02 1.04 -1.26 -0.56 113.70 121.06 2bfa s SER 253 Ca 0.50 0.69 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 2bfa s SER 253 Cb -0.10 -1.48 0.05 0.00 0.10 0.00 0.00 66.02 64.59 2bfa s SER 253 CO 0.41 -1.38 1.66 0.00 0.98 0.00 0.00 173.24 174.92 2bfa h ALA 254 N -0.49 0.75 -0.80 5.32 0.00 -1.95 -2.95 119.26 119.14 2bfa h ALA 254 Ca -0.45 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.24 2bfa h ALA 254 Cb 1.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2bfa h ALA 254 CO 0.62 0.47 0.53 0.00 0.00 0.00 0.00 179.25 180.87 2bfa h ALA 255 N 1.01 1.47 0.00 0.00 0.00 -1.94 -0.00 119.26 119.80 2bfa h ALA 255 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bfa h ALA 255 Cb 0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bfa h ALA 255 CO 0.01 0.47 -0.00 0.93 0.00 0.00 0.00 179.25 180.65 2bfa h GLU 256 N 1.04 0.00 0.00 0.00 5.08 -1.91 0.12 114.58 118.91 2bfa h GLU 256 Ca 0.30 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.24 2bfa h GLU 256 Cb -0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2bfa h GLU 256 CO -0.08 0.00 -2.33 0.28 -1.00 0.00 0.00 179.01 175.89 2bfa n VAL 257 N -3.12 1.53 -0.07 3.13 0.31 -0.49 -4.50 118.33 115.12 2bfa n VAL 257 Ca -0.03 -0.32 0.03 0.00 -0.01 0.00 0.00 64.34 64.02 2bfa n VAL 257 Cb 0.09 -1.92 0.37 0.00 -0.91 0.00 0.00 33.84 31.47 2bfa n VAL 257 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2bfa h SER 258 N -1.00 0.59 -0.85 4.52 4.64 -0.83 -1.49 113.55 119.13 2bfa h SER 258 Ca -0.63 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 60.75 2bfa h SER 258 Cb 1.55 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 2bfa h SER 258 CO -0.38 0.42 0.55 0.44 -0.87 0.00 0.00 176.83 176.99 2bfa h ASP 259 N 0.69 0.80 -0.18 4.97 3.32 -1.21 0.44 116.42 125.25 2bfa h ASP 259 Ca 0.20 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2bfa h ASP 259 Cb -0.05 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2bfa h ASP 259 CO -0.04 0.51 -0.30 0.58 -1.72 0.00 0.00 179.24 178.26 2bfa h VAL 260 N 0.91 1.28 -0.60 -1.35 2.07 -1.50 -1.01 116.25 116.05 2bfa h VAL 260 Ca 0.37 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2bfa h VAL 260 Cb 0.27 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2bfa h VAL 260 CO -0.14 0.46 0.08 0.58 0.02 0.00 0.00 177.57 178.57 2bfa h VAL 261 N 0.57 1.26 -0.40 2.57 2.07 -0.98 -1.85 116.25 119.49 2bfa h VAL 261 Ca 0.07 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2bfa h VAL 261 Cb 0.80 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2bfa h VAL 261 CO 0.07 0.38 0.04 0.40 0.02 0.00 0.00 177.57 178.47 2bfa h ILE 262 N 0.90 1.25 -0.66 4.57 5.03 -0.68 -2.69 117.51 125.22 2bfa h ILE 262 Ca 0.18 -0.92 -0.01 0.00 -0.12 0.00 0.00 64.86 63.99 2bfa h ILE 262 Cb 0.45 1.07 -0.03 0.00 -3.03 0.00 0.00 36.82 35.27 2bfa h ILE 262 CO 0.01 0.31 0.37 0.15 -0.68 0.00 0.00 178.15 178.31 2bfa h PHE 263 N 0.52 0.91 0.00 1.37 3.57 -1.02 -0.92 116.94 121.36 2bfa h PHE 263 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2bfa h PHE 263 Cb 0.40 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2bfa h PHE 263 CO 0.03 0.64 0.00 -0.07 -2.23 0.00 0.00 178.31 176.68 2bfa h LEU 264 N 0.91 0.00 0.00 0.59 3.38 -1.18 -1.51 115.31 117.50 2bfa h LEU 264 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2bfa h LEU 264 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2bfa h LEU 264 CO -0.04 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.63 2bfa s SER 266 N -4.38 4.52 0.52 0.00 1.04 -0.57 -4.92 113.70 109.91 2bfa s SER 266 Ca 0.04 1.60 0.30 0.00 0.48 0.00 0.00 55.95 58.36 2bfa s SER 266 Cb 0.13 -2.35 1.32 0.00 0.10 0.00 0.00 66.02 65.23 2bfa s SER 266 CO 0.76 -1.99 1.98 0.77 0.98 0.00 0.00 173.24 175.74 2bfa h SER 267 N -1.10 0.00 0.50 7.02 4.64 -1.92 -2.37 113.55 120.32 2bfa h SER 267 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2bfa h SER 267 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2bfa h SER 267 CO 0.55 0.10 -0.02 0.11 -0.87 0.00 0.00 176.83 176.70 2bfa h LYS 268 N 0.00 0.00 -0.74 4.77 1.57 -1.92 -2.17 116.57 118.08 2bfa h LYS 268 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2bfa h LYS 268 Cb 0.51 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.66 2bfa h LYS 268 CO 0.01 0.02 0.31 0.00 -0.57 0.00 0.00 179.45 179.23 2bfa n ALA 269 N -2.12 4.71 0.53 3.86 0.00 -0.89 -4.67 120.51 121.92 2bfa n ALA 269 Ca -0.01 -2.56 0.06 0.00 0.00 0.00 0.00 53.44 50.94 2bfa n ALA 269 Cb 0.20 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 18.74 2bfa n ALA 269 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2bfa n LYS 270 N -0.50 0.09 0.00 0.00 2.85 -0.82 -2.02 118.16 117.76 2bfa n LYS 270 Ca 0.44 0.22 0.10 0.00 -1.05 0.00 0.00 58.31 58.02 2bfa n LYS 270 Cb 1.40 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 34.31 2bfa n LYS 270 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2bfa n TYR 271 N -1.40 0.00 -3.39 5.58 9.36 -1.26 -4.92 117.16 121.14 2bfa n TYR 271 Ca 0.05 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.89 2bfa n TYR 271 Cb 0.13 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.77 2bfa n TYR 271 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2bfa s ILE 272 N -1.94 5.21 -0.20 2.97 1.01 -0.86 -5.05 121.20 122.33 2bfa s ILE 272 Ca 0.19 0.75 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 2bfa s ILE 272 Cb 0.16 -3.74 0.09 0.00 0.01 0.00 0.00 42.46 38.98 2bfa s ILE 272 CO 0.38 0.28 0.82 0.28 0.00 0.00 0.00 174.94 176.69 2bfa s THR 273 N 1.09 0.00 -0.22 2.92 -1.32 -1.26 -4.68 115.64 112.17 2bfa s THR 273 Ca 0.20 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 2bfa s THR 273 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2bfa s THR 273 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 2bfa n GLY 274 N 1.88 0.55 3.56 6.08 0.00 0.20 -4.94 105.19 112.51 2bfa n GLY 274 Ca -0.14 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 2bfa n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bfa s THR 275 N -2.05 1.47 0.01 2.61 -4.23 -1.26 -4.71 115.64 107.49 2bfa s THR 275 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2bfa s THR 275 Cb 0.00 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2bfa s THR 275 CO 0.00 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.86 2bfa s VAL 277 N -0.76 2.50 0.08 0.00 1.01 -0.15 -4.95 120.40 118.13 2bfa s VAL 277 Ca 0.12 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2bfa s VAL 277 Cb -0.10 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 2bfa s VAL 277 CO 0.02 0.38 0.87 -0.54 0.00 0.00 0.00 175.10 175.82 2bfa s LYS 278 N 1.31 4.60 -0.59 2.72 1.02 -1.26 -0.98 119.74 126.57 2bfa s LYS 278 Ca 0.03 1.27 0.06 0.00 0.02 0.00 0.00 55.97 57.35 2bfa s LYS 278 Cb -0.15 -3.37 0.24 0.00 -0.52 0.00 0.00 37.83 34.03 2bfa s LYS 278 CO -0.08 0.25 0.66 0.28 -0.92 0.00 0.00 175.35 175.53 2bfa n VAL 279 N 2.78 1.50 -0.27 3.17 0.31 -0.09 -4.87 118.33 120.86 2bfa n VAL 279 Ca -0.00 -4.86 0.00 0.00 -0.01 0.00 0.00 64.34 59.47 2bfa n VAL 279 Cb 0.50 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 2bfa n VAL 279 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2bfa n ASP 280 N 1.16 1.23 -2.37 4.52 5.75 -1.26 -2.91 116.55 122.67 2bfa n ASP 280 Ca 0.27 -1.50 -0.17 0.00 -0.01 0.00 0.00 54.79 53.38 2bfa n ASP 280 Cb 0.43 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 2bfa n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bfa n GLY 281 N -0.25 -0.39 1.53 6.12 0.00 -1.26 -1.64 105.19 109.31 2bfa n GLY 281 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bfa n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bfa n GLY 282 N -0.88 0.62 0.36 -0.02 0.00 -1.26 -1.63 105.19 102.38 2bfa n GLY 282 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 2bfa n GLY 282 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bfa h TYR 283 N 0.00 1.19 0.00 1.61 3.20 -1.66 -1.95 116.97 119.36 2bfa h TYR 283 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2bfa h TYR 283 Cb 0.00 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.88 2bfa h TYR 283 CO 0.00 0.79 0.00 -1.13 -1.64 0.00 0.00 178.16 176.18 2bfa n SER 284 N -4.36 0.00 -0.27 -2.11 3.41 -1.26 -1.93 113.62 107.10 2bfa n SER 284 Ca 0.10 -0.53 0.11 0.00 -0.26 0.00 0.00 58.87 58.30 2bfa n SER 284 Cb 0.06 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 2bfa n SER 284 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bfa n LEU 285 N -0.93 1.37 -4.91 1.04 4.77 -0.73 -4.98 117.00 112.63 2bfa n LEU 285 Ca 0.10 -0.48 -0.28 0.00 -0.03 0.00 0.00 56.01 55.32 2bfa n LEU 285 Cb 0.04 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2bfa n LEU 285 CO 0.07 0.27 0.52 0.42 -1.33 0.00 0.00 177.39 177.34 2bfa s THR 286 N -2.66 4.37 0.28 -5.08 -4.23 -0.81 -5.11 115.64 102.39 2bfa s THR 286 Ca 0.17 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 2bfa s THR 286 Cb 0.18 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.26 2bfa s THR 286 CO 0.64 -0.73 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.82 2bfa s ARG 287 N -4.91 1.52 0.00 3.99 0.52 -1.26 -5.13 118.95 113.68 2bfa s ARG 287 Ca 0.51 -1.78 0.19 0.00 -0.52 0.00 0.00 55.73 54.13 2bfa s ARG 287 Cb -0.10 -1.02 1.11 0.00 0.52 0.00 0.00 34.95 35.45 2bfa s ARG 287 CO 0.46 -0.01 1.51 0.00 0.02 0.00 0.00 175.30 177.28