#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0f h PRO 2 N 0.00 -0.67 -0.25 1.61 0.11 -2.02 0.60 132.00 131.38 2b0f h PRO 2 Ca 0.00 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.19 2b0f h PRO 2 Cb 0.00 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 2b0f h PRO 2 CO 0.00 -0.45 0.05 -0.97 -0.21 0.00 0.00 178.00 176.42 2b0f h ASN 3 N -0.70 0.01 -0.36 -2.05 -1.24 -1.96 0.33 115.58 109.62 2b0f h ASN 3 Ca 0.01 0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 2b0f h ASN 3 Cb 0.72 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 2b0f h ASN 3 CO -0.27 0.04 -0.18 0.74 -1.29 0.00 0.00 177.43 176.47 2b0f h THR 4 N 0.14 1.29 -0.54 -3.57 2.02 -1.98 -1.11 112.91 109.16 2b0f h THR 4 Ca 0.11 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2b0f h THR 4 Cb 0.12 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2b0f h THR 4 CO -0.15 0.43 0.29 -0.08 0.37 0.00 0.00 175.52 176.38 2b0f h GLU 5 N 0.53 0.76 -0.08 6.66 4.57 -0.67 0.22 114.58 126.57 2b0f h GLU 5 Ca 0.08 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2b0f h GLU 5 Cb 0.72 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2b0f h GLU 5 CO 0.05 0.59 0.03 0.35 -1.18 0.00 0.00 179.01 178.86 2b0f h PHE 6 N 0.73 0.12 -0.46 0.92 3.57 -0.87 -0.80 116.94 120.14 2b0f h PHE 6 Ca 0.19 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2b0f h PHE 6 Cb 0.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2b0f h PHE 6 CO -0.01 0.24 0.24 0.00 -2.23 0.00 0.00 178.31 176.55 2b0f h ALA 7 N 0.88 0.59 -0.60 2.41 0.00 -1.00 0.39 119.26 121.92 2b0f h ALA 7 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2b0f h ALA 7 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2b0f h ALA 7 CO -0.00 -0.10 0.26 1.25 0.00 0.00 0.00 179.25 180.66 2b0f h LEU 8 N 0.48 0.81 -0.26 0.00 6.46 -0.86 0.14 115.31 122.08 2b0f h LEU 8 Ca 0.20 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2b0f h LEU 8 Cb 0.09 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2b0f h LEU 8 CO -0.13 0.75 -0.10 0.28 -0.62 0.00 0.00 178.44 178.61 2b0f h SER 9 N 0.83 0.54 -0.43 1.25 0.02 -0.73 -2.26 113.55 112.76 2b0f h SER 9 Ca 0.20 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2b0f h SER 9 Cb 0.17 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2b0f h SER 9 CO -0.02 0.81 0.28 0.25 -1.14 0.00 0.00 176.83 177.01 2b0f h LEU 10 N 0.26 0.48 -0.21 5.07 5.85 -0.08 -1.16 115.31 125.52 2b0f h LEU 10 Ca 0.06 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2b0f h LEU 10 Cb 0.60 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2b0f h LEU 10 CO 0.03 0.34 -0.04 0.25 -0.34 0.00 0.00 178.44 178.69 2b0f h LEU 11 N 0.57 -0.17 -0.39 2.25 5.85 -0.66 0.23 115.31 122.99 2b0f h LEU 11 Ca 0.16 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 2b0f h LEU 11 Cb -0.05 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2b0f h LEU 11 CO -0.05 -0.06 -0.70 0.03 -0.34 0.00 0.00 178.44 177.32 2b0f h ARG 12 N 0.01 0.00 0.00 1.25 3.08 -1.25 -2.92 114.38 114.55 2b0f h ARG 12 Ca 0.10 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.78 2b0f h ARG 12 Cb 0.15 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 2b0f h ARG 12 CO -0.21 0.70 -2.38 1.63 -1.07 0.00 0.00 179.97 178.65 2b0f n LYS 13 N -3.50 0.73 0.00 0.04 4.76 -0.45 -4.75 118.16 114.99 2b0f n LYS 13 Ca -0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2b0f n LYS 13 Cb 0.74 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 2b0f n LYS 13 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2b0f n ASN 14 N -2.93 0.02 -4.54 4.39 4.13 0.73 -4.41 115.26 112.65 2b0f n ASN 14 Ca -0.37 -0.48 -0.41 0.00 1.68 0.00 0.00 54.58 55.00 2b0f n ASN 14 Cb 1.07 0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 40.13 2b0f n ASN 14 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2b0f s ILE 15 N -0.92 5.19 0.07 2.41 -1.09 -0.63 -0.98 121.20 125.26 2b0f s ILE 15 Ca 0.00 -0.04 0.09 0.00 -2.23 0.00 0.00 60.65 58.47 2b0f s ILE 15 Cb 0.00 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 2b0f s ILE 15 CO 0.00 -0.09 -0.24 -0.04 -1.23 0.00 0.00 174.94 173.34 2b0f s MET 16 N 1.95 1.51 -1.11 2.79 -1.94 -0.73 -4.72 119.30 117.05 2b0f s MET 16 Ca 0.10 -1.10 -0.22 0.00 -1.71 0.00 0.00 55.69 52.77 2b0f s MET 16 Cb -0.17 -1.73 0.04 0.00 2.01 0.00 0.00 34.83 34.99 2b0f s MET 16 CO 0.11 0.43 1.61 0.99 -0.01 0.00 0.00 175.02 178.16 2b0f s THR 17 N -0.89 3.92 -0.85 2.05 2.01 -1.26 -0.07 115.64 120.55 2b0f s THR 17 Ca 0.10 -1.10 -0.25 0.00 0.31 0.00 0.00 61.69 60.75 2b0f s THR 17 Cb -0.10 -4.98 0.01 0.00 0.01 0.00 0.00 72.50 67.44 2b0f s THR 17 CO 0.03 -1.83 1.61 -0.63 -0.69 0.00 0.00 174.62 173.11 2b0f s ILE 18 N 5.54 3.65 -0.78 1.82 -1.09 0.68 0.18 121.20 131.19 2b0f s ILE 18 Ca 0.52 -0.20 -0.22 0.00 -2.23 0.00 0.00 60.65 58.52 2b0f s ILE 18 Cb 0.01 -4.56 0.08 0.00 -1.58 0.00 0.00 42.46 36.41 2b0f s ILE 18 CO -0.02 -1.49 1.10 -0.89 -1.23 0.00 0.00 174.94 172.41 2b0f s THR 19 N 7.17 4.32 0.65 2.92 2.01 0.01 -0.58 115.64 132.14 2b0f s THR 19 Ca 0.53 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.94 2b0f s THR 19 Cb -0.06 -4.78 0.11 0.00 0.01 0.00 0.00 72.50 67.78 2b0f s THR 19 CO 0.04 -1.57 0.90 -0.89 -0.69 0.00 0.00 174.62 172.40 2b0f s THR 20 N 3.99 2.03 0.38 -0.82 2.01 0.67 -2.57 115.64 121.32 2b0f s THR 20 Ca 0.29 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.52 2b0f s THR 20 Cb -0.11 -2.17 0.31 0.00 0.01 0.00 0.00 72.50 70.55 2b0f s THR 20 CO 0.03 0.00 1.93 0.28 -0.69 0.00 0.00 174.62 176.17 2b0f h SER 21 N -0.15 0.59 0.47 3.53 0.02 -1.58 -2.85 113.55 113.58 2b0f h SER 21 Ca -0.31 0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.36 2b0f h SER 21 Cb 1.28 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 2b0f h SER 21 CO 0.39 0.35 -1.69 0.50 -1.14 0.00 0.00 176.83 175.23 2b0f h LYS 22 N 0.65 0.05 0.00 3.45 3.11 -1.64 -3.51 116.57 118.68 2b0f h LYS 22 Ca 0.36 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2b0f h LYS 22 Cb 0.51 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2b0f h LYS 22 CO -0.13 0.66 0.00 0.41 -2.81 0.00 0.00 179.45 177.57 2b0f n GLY 23 N 1.61 -1.26 3.48 5.01 0.00 -1.08 -5.09 105.19 107.86 2b0f n GLY 23 Ca -0.18 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 2b0f n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b0f s GLU 24 N -0.31 3.13 0.24 1.61 2.02 -1.26 -0.24 118.70 123.89 2b0f s GLU 24 Ca 0.00 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.34 2b0f s GLU 24 Cb 0.00 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 2b0f s GLU 24 CO 0.00 -0.95 0.01 -0.06 0.02 0.00 0.00 175.26 174.28 2b0f s PHE 25 N 2.33 2.76 -0.55 1.61 0.40 0.25 -1.80 117.98 122.97 2b0f s PHE 25 Ca 0.14 -0.20 -0.26 0.00 -0.60 0.00 0.00 56.93 56.01 2b0f s PHE 25 Cb -0.17 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.14 2b0f s PHE 25 CO 0.14 0.59 1.06 0.99 0.70 0.00 0.00 175.22 178.70 2b0f s THR 26 N -2.16 4.22 -0.25 0.64 2.01 -1.23 -0.23 115.64 118.64 2b0f s THR 26 Ca 0.30 0.66 -0.20 0.00 0.31 0.00 0.00 61.69 62.76 2b0f s THR 26 Cb -0.07 -4.61 -0.02 0.00 0.01 0.00 0.00 72.50 67.80 2b0f s THR 26 CO 0.20 -1.18 0.63 -0.83 -0.69 0.00 0.00 174.62 172.75 2b0f s GLY 27 N 2.81 1.81 -0.59 4.40 0.00 0.90 -4.69 107.32 111.96 2b0f s GLY 27 Ca 0.38 -0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 2b0f s GLY 27 CO 0.23 1.45 0.72 -2.27 0.00 0.00 0.00 173.10 173.23 2b0f s LEU 28 N 2.51 5.24 -0.41 0.66 2.96 -0.64 -1.78 118.68 127.21 2b0f s LEU 28 Ca 0.26 -1.33 -0.28 0.00 -0.22 0.00 0.00 54.13 52.57 2b0f s LEU 28 Cb -0.15 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 2b0f s LEU 28 CO 0.08 -1.12 1.82 -0.83 -1.32 0.00 0.00 176.35 174.99 2b0f s GLY 29 N 3.52 0.61 -0.06 7.98 0.00 -0.15 -0.91 107.32 118.31 2b0f s GLY 29 Ca 0.13 0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 2b0f s GLY 29 CO 0.07 3.32 0.76 -2.22 0.00 0.00 0.00 173.10 175.03 2b0f h ILE 30 N 6.85 0.76 -1.85 0.90 1.08 -1.15 -3.42 117.51 120.68 2b0f h ILE 30 Ca -0.31 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 62.99 2b0f h ILE 30 Cb 1.17 1.30 -0.22 0.00 -3.07 0.00 0.00 36.82 36.00 2b0f h ILE 30 CO 1.09 0.21 0.28 -1.38 -0.69 0.00 0.00 178.15 177.65 2b0f s HIS 31 N -3.14 -0.63 0.00 1.37 -3.43 -1.13 -1.17 115.29 107.16 2b0f s HIS 31 Ca -0.11 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 2b0f s HIS 31 Cb 0.00 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 2b0f s HIS 31 CO 0.42 -0.40 0.00 -3.47 -2.00 0.00 0.00 174.74 169.29 2b0f n ASP 32 N 1.82 0.00 -0.65 7.38 2.03 -1.19 -0.25 116.55 125.70 2b0f n ASP 32 Ca -0.14 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.20 2b0f n ASP 32 Cb 0.56 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.02 2b0f n ASP 32 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2b0f n ARG 33 N 0.00 0.47 -3.64 -0.67 -4.01 -1.26 -0.29 116.66 107.26 2b0f n ARG 33 Ca 0.00 -1.86 -0.38 0.00 -1.04 0.00 0.00 57.85 54.57 2b0f n ARG 33 Cb 0.00 -0.74 -0.12 0.00 -3.04 0.00 0.00 32.46 28.56 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2b0f s VAL 34 N -1.03 4.94 0.02 8.89 1.01 0.65 -1.66 120.40 133.23 2b0f s VAL 34 Ca 0.20 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.24 2b0f s VAL 34 Cb 0.20 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2b0f s VAL 34 CO -0.04 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.09 2b0f s VAL 36 N -0.66 3.82 0.14 0.00 1.01 -0.09 -0.63 120.40 124.00 2b0f s VAL 36 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2b0f s VAL 36 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2b0f s VAL 36 CO 0.01 0.52 0.11 0.27 0.00 0.00 0.00 175.10 176.00 2b0f s ILE 37 N 0.13 0.09 1.08 2.22 -4.36 -1.09 -1.62 121.20 117.65 2b0f s ILE 37 Ca -0.02 -1.80 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 2b0f s ILE 37 Cb -0.14 -2.02 0.24 0.00 1.25 0.00 0.00 42.46 41.79 2b0f s ILE 37 CO 0.03 -0.41 1.06 -2.84 0.24 0.00 0.00 174.94 173.03 2b0f s PRO 38 N -4.03 -0.27 0.10 0.37 0.02 -1.26 0.99 135.00 130.91 2b0f s PRO 38 Ca 0.23 0.60 -0.08 0.00 0.02 0.00 0.00 61.00 61.77 2b0f s PRO 38 Cb 0.06 -1.65 -0.17 0.00 0.02 0.00 0.00 34.50 32.76 2b0f s PRO 38 CO 0.02 -3.23 1.23 1.15 -0.33 0.00 0.00 177.00 175.85 2b0f h THR 39 N -2.25 1.36 0.00 0.99 2.02 -1.45 -3.19 112.91 110.39 2b0f h THR 39 Ca -0.58 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.16 2b0f h THR 39 Cb 1.34 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2b0f h THR 39 CO 0.55 0.73 0.00 0.00 0.37 0.00 0.00 175.52 177.17 2b0f n HIS 40 N -3.77 0.00 0.10 3.16 1.44 -1.26 -2.13 115.22 112.77 2b0f n HIS 40 Ca -0.09 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.58 2b0f n HIS 40 Cb 0.88 0.00 0.05 0.00 0.12 0.00 0.00 29.99 31.04 2b0f n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b0f h ALA 41 N 1.96 0.71 -5.18 1.59 0.00 -1.93 -3.44 119.26 112.97 2b0f h ALA 41 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2b0f h ALA 41 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2b0f h ALA 41 CO 0.00 0.98 -0.14 1.04 0.00 0.00 0.00 179.25 181.13 2b0f n GLN 42 N -3.61 -1.52 -1.96 0.00 1.13 -0.90 -2.14 117.38 108.38 2b0f n GLN 42 Ca -0.01 1.60 -0.42 0.00 -1.94 0.00 0.00 57.00 56.24 2b0f n GLN 42 Cb 0.75 -5.46 -0.03 0.00 0.11 0.00 0.00 30.24 25.62 2b0f n GLN 42 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2b0f s PRO 43 N -2.85 4.23 0.00 -1.09 0.04 -1.26 -3.42 135.00 130.65 2b0f s PRO 43 Ca 0.07 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2b0f s PRO 43 Cb -0.02 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2b0f s PRO 43 CO 0.70 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2b0f n GLY 44 N 3.01 0.61 0.10 0.56 0.00 -1.26 -5.01 105.19 103.20 2b0f n GLY 44 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2b0f n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b0f n ASP 45 N 0.00 0.37 -4.19 1.61 2.03 -1.26 -4.92 116.55 110.18 2b0f n ASP 45 Ca 0.00 0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.27 2b0f n ASP 45 Cb 0.00 0.62 -0.11 0.00 -0.72 0.00 0.00 41.12 40.91 2b0f n ASP 45 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2b0f s ASP 46 N -5.73 1.56 -0.04 1.67 1.01 -1.26 -1.66 116.67 112.22 2b0f s ASP 46 Ca -0.10 -0.83 0.03 0.00 0.71 0.00 0.00 52.55 52.36 2b0f s ASP 46 Cb 0.07 -0.00 0.00 0.00 1.01 0.00 0.00 42.92 44.00 2b0f s ASP 46 CO 0.82 -0.25 -0.12 -0.69 0.21 0.00 0.00 175.17 175.13 2b0f s VAL 47 N -2.47 1.04 -0.60 -1.27 1.01 0.22 -4.88 120.40 113.45 2b0f s VAL 47 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 2b0f s VAL 47 Cb -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.47 2b0f s VAL 47 CO 0.00 0.32 1.11 -0.76 0.00 0.00 0.00 175.10 175.77 2b0f s LEU 48 N 0.26 3.68 -0.96 3.92 1.02 -1.06 -0.60 118.68 124.93 2b0f s LEU 48 Ca -0.06 -0.18 -0.22 0.00 0.02 0.00 0.00 54.13 53.69 2b0f s LEU 48 Cb -0.11 -2.93 0.07 0.00 0.02 0.00 0.00 46.19 43.24 2b0f s LEU 48 CO 0.02 -1.45 1.35 -0.69 0.02 0.00 0.00 176.35 175.60 2b0f s VAL 49 N 4.68 4.10 0.00 -1.59 1.01 0.20 -0.80 120.40 128.00 2b0f s VAL 49 Ca 0.37 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2b0f s VAL 49 Cb -0.10 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.31 2b0f s VAL 49 CO 0.21 -1.82 0.00 -3.20 0.00 0.00 0.00 175.10 170.29 2b0f n ASN 50 N 8.35 0.00 0.00 3.32 2.85 0.13 -2.28 115.26 127.63 2b0f n ASN 50 Ca 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2b0f n ASN 50 Cb 0.50 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.81 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2b0f n GLY 51 N -2.00 0.71 3.62 8.20 0.00 -1.26 -4.98 105.19 109.48 2b0f n GLY 51 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2b0f n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b0f s GLN 52 N 0.00 3.80 -0.84 1.61 -0.21 -0.97 -4.90 119.66 118.15 2b0f s GLN 52 Ca 0.00 1.21 -0.25 0.00 0.02 0.00 0.00 55.36 56.34 2b0f s GLN 52 Cb 0.00 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 30.07 2b0f s GLN 52 CO 0.00 -1.28 1.66 0.21 -2.12 0.00 0.00 175.29 173.77 2b0f s LYS 53 N 4.46 2.98 0.00 2.91 2.20 -1.26 0.60 119.74 131.64 2b0f s LYS 53 Ca 0.60 -0.33 -0.10 0.00 -0.36 0.00 0.00 55.97 55.78 2b0f s LYS 53 Cb -0.17 -4.84 -0.05 0.00 -1.51 0.00 0.00 37.83 31.26 2b0f s LYS 53 CO 0.27 -2.68 0.32 0.42 -0.36 0.00 0.00 175.35 173.31 2b0f s ILE 54 N 7.62 5.21 0.23 5.43 -1.09 0.23 -4.85 121.20 133.98 2b0f s ILE 54 Ca 0.56 0.42 -0.31 0.00 -2.23 0.00 0.00 60.65 59.10 2b0f s ILE 54 Cb -0.06 -3.60 -0.11 0.00 -1.58 0.00 0.00 42.46 37.11 2b0f s ILE 54 CO 0.04 0.44 1.55 -0.13 -1.23 0.00 0.00 174.94 175.61 2b0f s ARG 55 N -1.50 4.20 -0.51 2.79 1.81 -1.26 -0.61 118.95 123.87 2b0f s ARG 55 Ca 0.26 2.42 -0.28 0.00 -1.72 0.00 0.00 55.73 56.42 2b0f s ARG 55 Cb -0.14 -3.10 0.03 0.00 -0.45 0.00 0.00 34.95 31.29 2b0f s ARG 55 CO 0.14 -0.57 1.09 0.08 -0.68 0.00 0.00 175.30 175.36 2b0f s VAL 56 N 0.46 4.23 0.15 3.52 1.01 -0.66 -0.45 120.40 128.66 2b0f s VAL 56 Ca 0.65 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 2b0f s VAL 56 Cb -0.45 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 2b0f s VAL 56 CO 0.40 -1.07 1.53 0.50 0.00 0.00 0.00 175.10 176.46 2b0f h LYS 57 N 9.29 0.95 -1.43 2.72 1.63 -0.77 -3.45 116.57 125.51 2b0f h LYS 57 Ca -0.24 -0.41 0.12 0.00 -0.85 0.00 0.00 60.65 59.27 2b0f h LYS 57 Cb 1.06 -0.03 -0.25 0.00 -0.60 0.00 0.00 32.23 32.41 2b0f h LYS 57 CO 1.12 1.08 0.64 0.34 -3.45 0.00 0.00 179.45 179.18 2b0f s ASP 58 N -6.68 -0.29 -0.04 4.20 2.15 0.15 -4.99 116.67 111.18 2b0f s ASP 58 Ca -0.12 0.37 0.06 0.00 0.43 0.00 0.00 52.55 53.30 2b0f s ASP 58 Cb 0.12 0.32 -0.02 0.00 -0.30 0.00 0.00 42.92 43.03 2b0f s ASP 58 CO 0.86 -0.23 -0.22 -1.59 -0.17 0.00 0.00 175.17 173.83 2b0f s LYS 59 N -0.81 2.31 -0.22 4.34 0.00 -1.26 -1.25 119.74 122.86 2b0f s LYS 59 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 55.97 55.10 2b0f s LYS 59 Cb -0.02 -2.18 0.08 0.00 0.00 0.00 0.00 37.83 35.72 2b0f s LYS 59 CO -0.03 0.56 0.14 -0.47 0.00 0.00 0.00 175.35 175.55 2b0f s TYR 60 N -0.59 0.09 0.21 1.78 6.14 -1.03 -5.00 117.35 118.96 2b0f s TYR 60 Ca 0.09 -0.37 -0.30 0.00 0.64 0.00 0.00 57.07 57.13 2b0f s TYR 60 Cb -0.11 -0.68 -0.09 0.00 0.42 0.00 0.00 41.96 41.51 2b0f s TYR 60 CO 0.00 -0.65 1.22 0.15 0.64 0.00 0.00 175.55 176.91 2b0f s LYS 61 N 2.18 4.48 -0.39 4.97 1.02 -1.26 0.43 119.74 131.17 2b0f s LYS 61 Ca 0.05 1.93 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 2b0f s LYS 61 Cb -0.16 -3.21 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2b0f s LYS 61 CO -0.20 -0.09 0.23 -1.17 -0.92 0.00 0.00 175.35 173.20 2b0f s LEU 62 N -0.50 4.86 0.26 3.17 2.96 0.31 -4.84 118.68 124.91 2b0f s LEU 62 Ca 0.52 -1.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.44 2b0f s LEU 62 Cb -0.34 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2b0f s LEU 62 CO 0.39 -0.43 0.07 0.68 -1.32 0.00 0.00 176.35 175.74 2b0f s VAL 63 N 1.55 3.76 0.18 1.68 -7.23 -1.26 -2.85 120.40 116.23 2b0f s VAL 63 Ca 0.02 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 2b0f s VAL 63 Cb -0.20 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.63 2b0f s VAL 63 CO 0.06 -0.36 1.01 -0.62 -0.31 0.00 0.00 175.10 174.88 2b0f s ASP 64 N -3.74 7.46 0.60 4.85 -1.08 0.22 -4.81 116.67 120.18 2b0f s ASP 64 Ca 0.32 1.96 0.31 0.00 -0.52 0.00 0.00 52.55 54.62 2b0f s ASP 64 Cb -0.07 -2.60 1.18 0.00 -1.46 0.00 0.00 42.92 39.97 2b0f s ASP 64 CO 0.22 -0.05 1.50 -0.65 0.52 0.00 0.00 175.17 176.71 2b0f h PRO 65 N 4.89 0.00 0.00 4.34 0.11 -1.99 1.81 132.00 141.15 2b0f h PRO 65 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2b0f h PRO 65 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2b0f h PRO 65 CO 0.70 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 2b0f n GLU 66 N -3.48 0.03 -2.18 1.05 -0.58 -1.26 -4.88 120.64 109.35 2b0f n GLU 66 Ca 0.22 0.22 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 2b0f n GLU 66 Cb 1.37 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.75 2b0f n GLU 66 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2b0f n ASN 67 N -1.47 -4.25 -3.88 1.62 3.02 0.61 -5.09 115.26 105.82 2b0f n ASN 67 Ca 0.04 -0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 2b0f n ASN 67 Cb 0.18 -2.68 -0.10 0.00 -0.61 0.00 0.00 39.78 36.57 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2b0f s ILE 68 N -3.06 0.09 0.25 2.41 1.01 -1.18 -4.98 121.20 115.74 2b0f s ILE 68 Ca 0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 2b0f s ILE 68 Cb -0.01 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.87 2b0f s ILE 68 CO 0.31 -0.42 1.43 0.21 0.00 0.00 0.00 174.94 176.47 2b0f s ASN 69 N -1.50 6.67 -0.11 3.58 2.47 -1.22 -0.61 114.94 124.23 2b0f s ASN 69 Ca -0.14 2.65 0.10 0.00 0.42 0.00 0.00 52.86 55.90 2b0f s ASN 69 Cb -0.07 -2.62 -0.15 0.00 -1.45 0.00 0.00 41.25 36.96 2b0f s ASN 69 CO 0.01 -0.69 0.06 -0.11 -3.72 0.00 0.00 177.10 172.64 2b0f n LEU 70 N 2.33 0.00 -0.49 3.21 7.94 -1.23 -1.50 117.00 127.25 2b0f n LEU 70 Ca 0.07 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.91 2b0f n LEU 70 Cb 0.40 0.27 -0.01 0.00 0.53 0.00 0.00 43.42 44.60 2b0f n LEU 70 CO 0.60 0.27 -0.06 1.21 -1.11 0.00 0.00 177.39 178.30 2b0f n GLU 71 N -2.39 -0.39 -4.13 1.96 4.07 -1.13 -4.88 120.64 113.74 2b0f n GLU 71 Ca -0.18 0.52 -0.24 0.00 -0.06 0.00 0.00 57.16 57.20 2b0f n GLU 71 Cb 0.84 -4.28 -0.05 0.00 -0.06 0.00 0.00 31.44 27.89 2b0f n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2b0f s LEU 72 N -1.34 3.69 -0.09 4.31 1.02 -1.14 -1.42 118.68 123.71 2b0f s LEU 72 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 2b0f s LEU 72 Cb 0.00 -2.27 0.03 0.00 0.02 0.00 0.00 46.19 43.97 2b0f s LEU 72 CO 0.00 0.03 -0.04 -0.89 0.02 0.00 0.00 176.35 175.47 2b0f s THR 73 N -1.93 0.73 -1.00 5.49 2.01 0.28 0.11 115.64 121.33 2b0f s THR 73 Ca 0.31 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 2b0f s THR 73 Cb -0.09 -0.81 0.11 0.00 0.01 0.00 0.00 72.50 71.72 2b0f s THR 73 CO 0.23 0.32 1.28 -0.69 -0.69 0.00 0.00 174.62 175.07 2b0f s VAL 74 N 1.81 4.50 -0.45 3.82 1.01 0.17 -2.66 120.40 128.61 2b0f s VAL 74 Ca 0.05 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 2b0f s VAL 74 Cb -0.12 -4.89 0.03 0.00 0.00 0.00 0.00 36.38 31.39 2b0f s VAL 74 CO -0.07 -1.67 0.95 -0.22 0.00 0.00 0.00 175.10 174.10 2b0f s LEU 75 N 3.29 3.96 -0.54 3.92 2.96 0.20 -2.45 118.68 130.02 2b0f s LEU 75 Ca 0.38 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.37 2b0f s LEU 75 Cb -0.03 -3.25 0.10 0.00 0.50 0.00 0.00 46.19 43.51 2b0f s LEU 75 CO -0.08 -1.04 0.54 -0.89 -1.32 0.00 0.00 176.35 173.56 2b0f s THR 76 N 3.79 5.08 0.21 3.68 2.01 -0.38 -0.65 115.64 129.39 2b0f s THR 76 Ca 0.39 -1.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2b0f s THR 76 Cb -0.10 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2b0f s THR 76 CO 0.26 -0.87 0.40 -0.76 -0.69 0.00 0.00 174.62 172.95 2b0f s LEU 77 N 1.99 4.22 -1.27 4.42 1.02 -0.66 -0.13 118.68 128.27 2b0f s LEU 77 Ca 0.07 0.37 -0.13 0.00 0.02 0.00 0.00 54.13 54.46 2b0f s LEU 77 Cb -0.26 -3.15 0.14 0.00 0.02 0.00 0.00 46.19 42.94 2b0f s LEU 77 CO 0.05 -0.06 1.69 -0.67 0.02 0.00 0.00 176.35 177.39 2b0f n ASP 78 N -0.78 5.00 -4.31 2.29 2.03 0.40 -4.56 116.55 116.63 2b0f n ASP 78 Ca -0.05 -2.99 -0.42 0.00 0.52 0.00 0.00 54.79 51.85 2b0f n ASP 78 Cb 0.54 -1.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 2b0f n ASP 78 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2b0f s ARG 79 N 1.88 2.73 0.17 -0.67 6.06 -1.26 -4.58 118.95 123.28 2b0f s ARG 79 Ca 0.44 -1.45 -0.07 0.00 -2.50 0.00 0.00 55.73 52.16 2b0f s ARG 79 Cb 0.04 -3.92 0.04 0.00 0.06 0.00 0.00 34.95 31.17 2b0f s ARG 79 CO 0.01 -1.00 1.49 -0.91 -2.50 0.00 0.00 175.30 172.39 2b0f h ASN 80 N 8.54 0.80 -1.27 -2.12 2.35 -1.95 -3.33 115.58 118.60 2b0f h ASN 80 Ca -0.25 -0.40 -0.68 0.00 -0.55 0.00 0.00 56.30 54.42 2b0f h ASN 80 Cb 1.09 -0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.12 2b0f h ASN 80 CO 0.81 1.15 1.83 -1.61 -1.65 0.00 0.00 177.43 177.96 2b0f s GLU 81 N -4.18 3.92 0.75 0.81 0.41 -1.26 -4.97 118.70 114.18 2b0f s GLU 81 Ca -0.09 -1.97 -0.15 0.00 -0.41 0.00 0.00 54.97 52.35 2b0f s GLU 81 Cb 0.11 -5.37 0.05 0.00 -1.78 0.00 0.00 34.13 27.14 2b0f s GLU 81 CO 0.86 -2.12 1.22 -1.59 -0.49 0.00 0.00 175.26 173.14 2b0f s LYS 82 N 3.69 2.01 0.55 1.61 -2.85 -1.25 -5.02 119.74 118.49 2b0f s LYS 82 Ca 0.49 1.79 0.01 0.00 -1.00 0.00 0.00 55.97 57.26 2b0f s LYS 82 Cb 0.01 -1.81 0.03 0.00 -2.06 0.00 0.00 37.83 34.00 2b0f s LYS 82 CO 0.02 -1.94 0.78 -0.06 0.10 0.00 0.00 175.35 174.25 2b0f s PHE 83 N -1.97 2.86 0.24 1.78 0.08 0.61 -4.95 117.98 116.62 2b0f s PHE 83 Ca 0.75 -0.01 -0.30 0.00 0.12 0.00 0.00 56.93 57.50 2b0f s PHE 83 Cb -0.30 -2.76 -0.09 0.00 -0.57 0.00 0.00 43.02 39.31 2b0f s PHE 83 CO 0.46 -0.88 1.20 0.50 -0.10 0.00 0.00 175.22 176.40 2b0f s ARG 84 N -4.77 4.51 -1.03 0.44 3.52 -1.26 -3.17 118.95 117.19 2b0f s ARG 84 Ca 0.57 1.93 -0.19 0.00 -0.13 0.00 0.00 55.73 57.91 2b0f s ARG 84 Cb -0.10 -3.19 0.12 0.00 -1.56 0.00 0.00 34.95 30.21 2b0f s ARG 84 CO 0.38 -0.03 1.30 0.16 -0.81 0.00 0.00 175.30 176.31 2b0f s ASP 85 N -0.26 6.70 -0.03 -2.12 1.47 -1.26 -4.19 116.67 116.99 2b0f s ASP 85 Ca 0.50 -2.14 0.05 0.00 1.18 0.00 0.00 52.55 52.14 2b0f s ASP 85 Cb -0.34 -2.45 0.20 0.00 -0.34 0.00 0.00 42.92 39.99 2b0f s ASP 85 CO 0.41 -1.10 1.01 2.30 0.68 0.00 0.00 175.17 178.46 2b0f n ILE 86 N 5.69 0.50 0.26 2.11 -5.35 -0.32 -4.26 119.36 117.99 2b0f n ILE 86 Ca 0.30 -0.32 0.14 0.00 -0.27 0.00 0.00 62.75 62.60 2b0f n ILE 86 Cb 0.48 -0.13 0.69 0.00 -1.74 0.00 0.00 39.64 38.94 2b0f n ILE 86 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2b0f h ARG 87 N 1.15 0.00 0.00 6.28 0.11 -1.85 -0.59 114.38 119.47 2b0f h ARG 87 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2b0f h ARG 87 Cb 0.57 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2b0f h ARG 87 CO 0.06 0.00 -0.03 0.78 0.10 0.00 0.00 179.97 180.88 2b0f h GLY 88 N 0.69 0.00 -0.90 0.08 0.00 -1.93 -2.88 103.07 98.13 2b0f h GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b0f h GLY 88 CO 0.00 0.00 -0.03 0.69 0.00 0.00 0.00 176.54 177.20 2b0f n PHE 89 N -3.13 0.00 -2.53 5.60 3.72 -0.23 -4.90 117.46 116.00 2b0f n PHE 89 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 2b0f n PHE 89 Cb 0.38 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 2b0f n PHE 89 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2b0f s ILE 90 N -2.04 3.66 -0.20 4.37 1.01 -1.09 -0.77 121.20 126.14 2b0f s ILE 90 Ca 0.34 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 62.16 2b0f s ILE 90 Cb 0.21 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2b0f s ILE 90 CO 0.34 0.10 0.53 -0.44 0.00 0.00 0.00 174.94 175.46 2b0f s SER 91 N -1.40 6.56 0.13 3.58 0.01 -1.06 -4.54 113.70 116.99 2b0f s SER 91 Ca 0.55 0.68 0.04 0.00 1.31 0.00 0.00 55.95 58.52 2b0f s SER 91 Cb -0.24 -2.30 -0.16 0.00 0.21 0.00 0.00 66.02 63.53 2b0f s SER 91 CO 0.31 -0.19 1.28 1.05 0.41 0.00 0.00 173.24 176.10 2b0f h GLU 92 N 7.49 0.09 -4.47 12.44 9.09 -1.91 -0.14 114.58 137.17 2b0f h GLU 92 Ca -0.33 -0.14 -0.28 0.00 0.05 0.00 0.00 59.36 58.67 2b0f h GLU 92 Cb 1.15 0.05 -0.23 0.00 -1.65 0.00 0.00 28.75 28.07 2b0f h GLU 92 CO 0.74 1.02 -0.74 0.34 0.05 0.00 0.00 179.01 180.43 2b0f s ASP 93 N -6.85 0.76 -0.04 3.06 2.15 -1.26 -4.71 116.67 109.79 2b0f s ASP 93 Ca -0.01 -0.46 -0.21 0.00 0.43 0.00 0.00 52.55 52.31 2b0f s ASP 93 Cb 0.10 0.02 -0.14 0.00 -0.30 0.00 0.00 42.92 42.59 2b0f s ASP 93 CO 0.83 -0.16 0.90 -0.07 -0.17 0.00 0.00 175.17 176.51 2b0f h LEU 94 N 4.80 -0.28 -3.55 -1.34 3.38 -1.97 -3.48 115.31 112.88 2b0f h LEU 94 Ca -0.34 -0.25 -0.44 0.00 0.09 0.00 0.00 57.88 56.95 2b0f h LEU 94 Cb 1.20 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2b0f h LEU 94 CO 0.42 0.22 -1.04 -1.84 0.09 0.00 0.00 178.44 176.29 2b0f n GLU 95 N -5.01 -1.48 0.00 1.13 0.28 -1.26 -4.92 120.64 109.38 2b0f n GLU 95 Ca -0.08 0.80 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 2b0f n GLU 95 Cb 0.26 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.16 2b0f n GLU 95 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b0f n GLY 96 N -1.27 -0.17 0.23 -1.84 0.00 -1.26 -5.03 105.19 95.86 2b0f n GLY 96 Ca -0.26 0.69 0.13 0.00 0.00 0.00 0.00 46.02 46.58 2b0f n GLY 96 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2b0f h VAL 97 N 0.00 0.18 -3.58 1.61 3.04 -1.91 -3.43 116.25 112.16 2b0f h VAL 97 Ca 0.00 -0.96 -0.62 0.00 -1.01 0.00 0.00 66.70 64.11 2b0f h VAL 97 Cb 0.00 1.82 -0.13 0.00 -2.01 0.00 0.00 31.29 30.97 2b0f h VAL 97 CO 0.00 0.09 -0.00 -0.62 -1.01 0.00 0.00 177.57 176.02 2b0f s ASP 98 N -6.04 6.43 0.11 3.17 2.15 -1.26 -0.22 116.67 121.00 2b0f s ASP 98 Ca 0.03 0.47 0.05 0.00 0.43 0.00 0.00 52.55 53.53 2b0f s ASP 98 Cb 0.08 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 2b0f s ASP 98 CO 0.62 -0.32 -0.12 0.00 -0.17 0.00 0.00 175.17 175.18 2b0f s ALA 99 N 2.34 1.31 -0.04 3.66 0.00 0.11 -4.88 121.76 124.25 2b0f s ALA 99 Ca 0.21 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2b0f s ALA 99 Cb -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2b0f s ALA 99 CO 0.10 0.06 -0.25 0.99 0.00 0.00 0.00 175.76 176.66 2b0f s THR 100 N -2.14 1.98 -0.18 0.00 2.01 0.62 -2.07 115.64 115.86 2b0f s THR 100 Ca 0.06 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 2b0f s THR 100 Cb -0.05 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2b0f s THR 100 CO 0.02 0.56 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.28 2b0f s LEU 101 N -0.35 3.33 -0.28 4.42 2.96 0.11 -0.22 118.68 128.65 2b0f s LEU 101 Ca 0.02 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2b0f s LEU 101 Cb -0.12 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2b0f s LEU 101 CO 0.01 0.11 0.03 0.54 -1.32 0.00 0.00 176.35 175.72 2b0f s VAL 102 N 0.72 3.49 -0.23 1.68 0.11 0.15 -0.33 120.40 125.98 2b0f s VAL 102 Ca -0.00 -0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 57.98 2b0f s VAL 102 Cb -0.14 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 2b0f s VAL 102 CO 0.02 0.07 0.36 -0.69 -3.33 0.00 0.00 175.10 171.53 2b0f s VAL 103 N 1.41 5.21 -0.45 2.04 1.01 0.13 -2.09 120.40 127.66 2b0f s VAL 103 Ca 0.01 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.64 2b0f s VAL 103 Cb -0.17 -3.69 0.23 0.00 0.00 0.00 0.00 36.38 32.75 2b0f s VAL 103 CO -0.00 0.23 0.68 1.57 0.00 0.00 0.00 175.10 177.58 2b0f n HIS 104 N 4.74 -2.04 -1.87 5.22 -0.00 -1.16 -2.56 115.22 117.55 2b0f n HIS 104 Ca -0.09 -2.55 0.00 0.00 -0.00 0.00 0.00 57.72 55.08 2b0f n HIS 104 Cb 0.51 0.71 0.00 0.00 -0.00 0.00 0.00 29.99 31.21 2b0f n HIS 104 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2b0f n SER 105 N 1.80 0.00 0.11 0.26 3.41 -0.14 -3.47 113.62 115.60 2b0f n SER 105 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 2b0f n SER 105 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 2b0f n SER 105 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2b0f h ASN 106 N 0.00 -0.80 0.04 4.04 -0.00 -1.22 -3.36 115.58 114.28 2b0f h ASN 106 Ca 0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.39 2b0f h ASN 106 Cb 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2b0f h ASN 106 CO 0.00 -0.37 -0.02 0.78 -0.00 0.00 0.00 177.43 177.82 2b0f h ASN 107 N -0.49 -0.05 -2.65 1.15 2.35 -1.86 -3.48 115.58 110.55 2b0f h ASN 107 Ca 0.03 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.17 2b0f h ASN 107 Cb 0.52 0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.77 2b0f h ASN 107 CO -0.16 0.02 -0.73 -0.36 -1.65 0.00 0.00 177.43 174.55 2b0f s PHE 108 N -1.75 2.51 0.03 1.19 0.08 -1.26 -5.12 117.98 113.66 2b0f s PHE 108 Ca -0.01 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2b0f s PHE 108 Cb 0.00 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 2b0f s PHE 108 CO 0.02 0.59 -0.06 0.95 -0.10 0.00 0.00 175.22 176.62 2b0f s THR 109 N -2.04 0.44 -0.58 0.64 -4.23 -1.24 -0.96 115.64 107.66 2b0f s THR 109 Ca 0.27 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2b0f s THR 109 Cb -0.07 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.28 2b0f s THR 109 CO 0.15 -0.27 0.00 -3.20 -0.54 0.00 0.00 174.62 170.76 2b0f n ASN 110 N 1.86 -5.38 -4.45 3.99 2.85 -1.11 -4.92 115.26 108.11 2b0f n ASN 110 Ca -0.20 0.14 -0.44 0.00 -0.11 0.00 0.00 54.58 53.97 2b0f n ASN 110 Cb 0.56 -3.36 -0.06 0.00 1.24 0.00 0.00 39.78 38.16 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2b0f s THR 111 N -1.63 4.78 -0.36 -0.44 2.01 -1.06 -4.99 115.64 113.95 2b0f s THR 111 Ca 0.00 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 2b0f s THR 111 Cb 0.00 -4.37 0.01 0.00 0.01 0.00 0.00 72.50 68.15 2b0f s THR 111 CO 0.00 -0.92 0.22 -0.63 -0.69 0.00 0.00 174.62 172.60 2b0f s ILE 112 N 2.87 4.80 -0.09 1.82 1.01 -1.26 0.17 121.20 130.52 2b0f s ILE 112 Ca 0.17 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2b0f s ILE 112 Cb -0.19 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2b0f s ILE 112 CO 0.12 -0.16 -0.19 -0.76 0.00 0.00 0.00 174.94 173.95 2b0f s LEU 113 N 1.61 1.92 -0.19 2.97 1.43 0.55 -5.00 118.68 121.97 2b0f s LEU 113 Ca 0.04 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 2b0f s LEU 113 Cb -0.18 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2b0f s LEU 113 CO 0.08 0.10 0.79 -1.83 0.23 0.00 0.00 176.35 175.72 2b0f s GLU 114 N 0.53 4.25 -0.05 1.70 1.03 -1.26 0.04 118.70 124.94 2b0f s GLU 114 Ca -0.16 0.92 0.07 0.00 0.03 0.00 0.00 54.97 55.83 2b0f s GLU 114 Cb -0.17 -3.59 -0.24 0.00 -0.80 0.00 0.00 34.13 29.33 2b0f s GLU 114 CO 0.06 -0.35 0.65 -0.24 -1.33 0.00 0.00 175.26 174.04 2b0f h VAL 115 N 5.25 0.87 0.00 1.83 3.04 -1.85 -3.47 116.25 121.90 2b0f h VAL 115 Ca -0.28 -2.67 0.00 0.00 -1.01 0.00 0.00 66.70 62.74 2b0f h VAL 115 Cb 1.12 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.89 2b0f h VAL 115 CO 0.83 0.62 0.00 0.61 -1.01 0.00 0.00 177.57 178.62 2b0f n GLY 116 N 1.64 0.98 3.73 3.17 0.00 -0.88 -4.96 105.19 108.87 2b0f n GLY 116 Ca -0.19 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2b0f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b0f s PRO 117 N 0.00 4.64 0.35 1.61 0.04 -1.24 0.03 135.00 140.43 2b0f s PRO 117 Ca 0.00 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.67 2b0f s PRO 117 Cb 0.00 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2b0f s PRO 117 CO 0.00 0.13 0.19 0.14 0.04 0.00 0.00 177.00 177.49 2b0f s VAL 118 N 0.06 3.08 0.36 -0.36 -7.23 0.69 -4.78 120.40 112.22 2b0f s VAL 118 Ca 0.49 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 2b0f s VAL 118 Cb -0.25 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 2b0f s VAL 118 CO 0.31 -0.16 0.16 0.35 -0.31 0.00 0.00 175.10 175.45 2b0f n THR 119 N -1.22 0.00 -4.31 5.32 -2.24 0.33 -4.92 114.28 107.24 2b0f n THR 119 Ca -0.02 -2.20 -0.30 0.00 -2.27 0.00 0.00 64.05 59.27 2b0f n THR 119 Cb 0.61 0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 2b0f n THR 119 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2b0f s MET 120 N -3.39 1.89 -0.03 -0.78 -1.94 -1.26 -0.36 119.30 113.43 2b0f s MET 120 Ca 0.23 -1.13 0.02 0.00 -1.71 0.00 0.00 55.69 53.11 2b0f s MET 120 Cb 0.01 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2b0f s MET 120 CO 0.16 0.49 0.01 0.00 -0.01 0.00 0.00 175.02 175.67 2b0f n ALA 121 N 0.83 1.92 0.00 3.03 0.00 -0.10 -4.71 120.51 121.48 2b0f n ALA 121 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2b0f n ALA 121 Cb 0.53 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2b0f n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b0f n GLY 122 N 2.87 1.26 3.00 0.00 0.00 -1.05 -4.74 105.19 106.53 2b0f n GLY 122 Ca -0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 2b0f n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b0f s LEU 123 N 0.00 2.70 0.38 0.99 0.20 -1.26 -0.75 118.68 120.94 2b0f s LEU 123 Ca 0.00 -1.12 0.04 0.00 0.69 0.00 0.00 54.13 53.74 2b0f s LEU 123 Cb 0.00 -1.32 -0.03 0.00 -0.43 0.00 0.00 46.19 44.41 2b0f s LEU 123 CO 0.00 -0.18 0.12 0.27 -0.29 0.00 0.00 176.35 176.27 2b0f s ILE 124 N 1.31 0.69 -1.03 6.68 -4.36 -0.65 -4.90 121.20 118.94 2b0f s ILE 124 Ca -0.05 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.16 2b0f s ILE 124 Cb -0.18 -2.46 0.12 0.00 1.25 0.00 0.00 42.46 41.18 2b0f s ILE 124 CO -0.07 0.00 1.30 0.20 0.24 0.00 0.00 174.94 176.61 2b0f s ASN 125 N -3.55 6.71 -0.51 4.36 0.01 -1.26 -0.33 114.94 120.36 2b0f s ASN 125 Ca 0.28 -2.14 -0.28 0.00 -0.71 0.00 0.00 52.86 50.01 2b0f s ASN 125 Cb 0.04 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.26 2b0f s ASN 125 CO 0.15 -1.10 1.44 -0.22 -1.51 0.00 0.00 177.10 175.86 2b0f s LEU 126 N 3.05 3.45 -1.39 0.60 2.96 0.34 -2.87 118.68 124.83 2b0f s LEU 126 Ca 0.39 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 2b0f s LEU 126 Cb -0.03 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.48 2b0f s LEU 126 CO -0.06 -1.66 0.71 -0.24 -1.32 0.00 0.00 176.35 173.78 2b0f n SER 127 N 9.52 -5.87 0.00 3.68 2.88 -1.26 -0.94 113.62 121.63 2b0f n SER 127 Ca 0.14 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2b0f n SER 127 Cb 0.49 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.31 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2b0f n SER 128 N -2.31 0.00 -4.42 -3.46 7.64 -1.14 -4.98 113.62 104.95 2b0f n SER 128 Ca -0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.41 2b0f n SER 128 Cb 0.60 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 2b0f n SER 128 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2b0f s THR 129 N -3.12 4.61 -0.24 0.44 2.01 -0.11 -4.94 115.64 114.28 2b0f s THR 129 Ca 0.00 -0.57 -0.32 0.00 0.31 0.00 0.00 61.69 61.11 2b0f s THR 129 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 2b0f s THR 129 CO 0.00 -0.04 2.16 -2.65 -0.69 0.00 0.00 174.62 173.39 2b0f n PRO 130 N 4.99 1.67 -4.99 4.92 -0.02 -1.26 -0.50 135.00 139.81 2b0f n PRO 130 Ca -0.13 0.49 -0.28 0.00 -2.02 0.00 0.00 63.50 61.56 2b0f n PRO 130 Cb 0.48 -2.85 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 2b0f n PRO 130 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b0f s THR 131 N 7.22 1.63 0.32 3.45 2.01 0.55 -3.40 115.64 127.43 2b0f s THR 131 Ca 1.03 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 62.25 2b0f s THR 131 Cb -0.59 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 2b0f s THR 131 CO 0.43 0.46 0.34 0.21 -0.69 0.00 0.00 174.62 175.38 2b0f s ASN 132 N -0.16 5.60 -0.81 3.53 2.47 -0.56 -1.63 114.94 123.37 2b0f s ASN 132 Ca -0.00 -0.33 -0.02 0.00 0.42 0.00 0.00 52.86 52.92 2b0f s ASN 132 Cb -0.11 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.53 2b0f s ASN 132 CO 0.02 -0.32 0.69 0.54 -3.72 0.00 0.00 177.10 174.31 2b0f n ARG 133 N -1.43 -4.63 -3.28 0.43 1.74 -0.09 -4.75 116.66 104.64 2b0f n ARG 133 Ca -0.03 0.54 -0.38 0.00 -0.77 0.00 0.00 57.85 57.21 2b0f n ARG 133 Cb 0.59 -4.67 -0.06 0.00 -1.02 0.00 0.00 32.46 27.29 2b0f n ARG 133 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2b0f s MET 134 N -5.28 4.27 0.12 5.56 -1.94 0.08 -1.57 119.30 120.55 2b0f s MET 134 Ca 0.16 0.44 -0.09 0.00 -1.71 0.00 0.00 55.69 54.49 2b0f s MET 134 Cb -0.07 -3.49 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 2b0f s MET 134 CO 0.47 0.02 0.42 0.42 -0.01 0.00 0.00 175.02 176.34 2b0f s ILE 135 N 1.09 5.08 -0.00 2.53 -1.09 0.31 -0.92 121.20 128.19 2b0f s ILE 135 Ca 0.25 0.35 0.02 0.00 -2.23 0.00 0.00 60.65 59.05 2b0f s ILE 135 Cb -0.15 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2b0f s ILE 135 CO 0.10 0.16 -0.08 -0.60 -1.23 0.00 0.00 174.94 173.30 2b0f s ARG 136 N -2.25 0.61 -0.11 2.79 3.52 0.51 -0.75 118.95 123.27 2b0f s ARG 136 Ca 0.38 -0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.58 2b0f s ARG 136 Cb -0.13 -0.59 0.03 0.00 -1.56 0.00 0.00 34.95 32.70 2b0f s ARG 136 CO 0.20 0.16 0.32 1.52 -0.81 0.00 0.00 175.30 176.70 2b0f s TYR 137 N -0.20 -0.34 -0.30 5.12 -0.85 -0.44 0.12 117.35 120.46 2b0f s TYR 137 Ca 0.03 0.81 -0.24 0.00 -0.52 0.00 0.00 57.07 57.15 2b0f s TYR 137 Cb -0.03 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.43 2b0f s TYR 137 CO -0.00 -0.19 0.80 0.16 -1.52 0.00 0.00 175.55 174.80 2b0f s ASP 138 N 0.02 6.70 -0.29 -0.18 1.47 -1.26 1.00 116.67 124.12 2b0f s ASP 138 Ca -0.01 0.74 -0.23 0.00 1.18 0.00 0.00 52.55 54.22 2b0f s ASP 138 Cb -0.03 -2.42 0.16 0.00 -0.34 0.00 0.00 42.92 40.30 2b0f s ASP 138 CO 0.01 -0.61 1.24 -0.47 0.68 0.00 0.00 175.17 176.02 2b0f s TYR 139 N 2.96 -0.25 -0.63 2.11 5.04 -0.25 -4.91 117.35 121.42 2b0f s TYR 139 Ca 0.33 0.58 -0.26 0.00 -2.44 0.00 0.00 57.07 55.29 2b0f s TYR 139 Cb -0.14 0.38 -0.08 0.00 0.35 0.00 0.00 41.96 42.47 2b0f s TYR 139 CO 0.12 -0.12 2.29 0.00 -1.34 0.00 0.00 175.55 176.50 2b0f s ALA 140 N 0.33 1.43 -0.01 3.97 0.00 -1.26 -3.84 121.76 122.38 2b0f s ALA 140 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2b0f s ALA 140 Cb -0.05 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.61 2b0f s ALA 140 CO -0.12 -4.85 -0.00 0.95 0.00 0.00 0.00 175.76 171.74 2b0f s THR 141 N 12.37 4.14 0.08 0.00 -4.23 -1.26 -5.07 115.64 121.67 2b0f s THR 141 Ca 0.89 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 2b0f s THR 141 Cb -0.14 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 2b0f s THR 141 CO 0.18 0.39 -0.06 -0.54 -0.54 0.00 0.00 174.62 174.04 2b0f s LYS 142 N -1.50 0.76 0.62 3.99 -0.14 -1.26 -4.94 119.74 117.26 2b0f s LYS 142 Ca 0.19 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.40 2b0f s LYS 142 Cb -0.11 -0.17 -0.13 0.00 -1.68 0.00 0.00 37.83 35.73 2b0f s LYS 142 CO 0.10 -0.02 -0.07 2.41 -0.76 0.00 0.00 175.35 177.00 2b0f n THR 143 N 0.24 0.49 0.00 2.17 -1.04 -1.26 -1.62 114.28 113.25 2b0f n THR 143 Ca -0.14 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 2b0f n THR 143 Cb 0.60 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2b0f n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b0f n GLY 144 N 2.47 2.61 0.93 3.41 0.00 -1.26 -4.79 105.19 108.56 2b0f n GLY 144 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2b0f n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b0f n GLN 145 N -2.00 2.26 -2.65 1.61 1.13 -0.64 -2.88 117.38 114.21 2b0f n GLN 145 Ca 0.00 -1.86 -0.41 0.00 -1.94 0.00 0.00 57.00 52.79 2b0f n GLN 145 Cb 0.00 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 28.85 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b0f n GLY 147 N 2.15 1.67 3.59 0.00 0.00 0.17 -4.36 105.19 108.42 2b0f n GLY 147 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 2b0f n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 148 N -0.02 -0.15 3.68 -0.02 0.00 -1.18 -4.13 105.19 103.37 2b0f n GLY 148 Ca 0.00 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 2b0f n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b0f s VAL 149 N -0.73 5.01 -0.43 1.61 1.01 -0.89 0.13 120.40 126.11 2b0f s VAL 149 Ca 0.64 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.78 2b0f s VAL 149 Cb -0.75 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 31.66 2b0f s VAL 149 CO 0.57 0.14 0.35 -0.22 0.00 0.00 0.00 175.10 175.94 2b0f s LEU 150 N 1.64 5.14 0.00 3.92 2.96 0.71 -0.68 118.68 132.37 2b0f s LEU 150 Ca 0.32 -0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2b0f s LEU 150 Cb -0.16 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2b0f s LEU 150 CO 0.12 -0.52 0.24 0.00 -1.32 0.00 0.00 176.35 174.87 2b0f s ALA 152 N -2.10 0.24 -0.26 0.00 0.00 0.19 -0.27 121.76 119.56 2b0f s ALA 152 Ca 0.13 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.64 2b0f s ALA 152 Cb -0.01 1.13 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 2b0f s ALA 152 CO 0.09 -0.80 2.22 -0.08 0.00 0.00 0.00 175.76 177.19 2b0f s THR 153 N -3.69 3.03 -0.66 0.00 -1.32 -1.26 -1.61 115.64 110.13 2b0f s THR 153 Ca 0.27 0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2b0f s THR 153 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2b0f s THR 153 CO 0.13 -0.03 0.05 0.61 -2.21 0.00 0.00 174.62 173.17 2b0f n GLY 154 N 5.78 0.08 3.31 6.08 0.00 -1.26 -5.00 105.19 114.19 2b0f n GLY 154 Ca 0.30 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.82 2b0f n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b0f s LYS 155 N -4.52 0.50 -0.26 1.61 2.20 -0.64 -4.80 119.74 113.83 2b0f s LYS 155 Ca 0.03 1.02 -0.08 0.00 -0.36 0.00 0.00 55.97 56.58 2b0f s LYS 155 Cb -0.01 0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 36.87 2b0f s LYS 155 CO 0.03 -0.40 0.10 0.42 -0.36 0.00 0.00 175.35 175.14 2b0f s ILE 156 N 2.84 4.53 -0.04 5.43 1.01 0.05 0.57 121.20 135.58 2b0f s ILE 156 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2b0f s ILE 156 Cb -0.13 -3.13 -0.31 0.00 0.01 0.00 0.00 42.46 38.90 2b0f s ILE 156 CO -0.19 0.31 0.73 -0.26 0.00 0.00 0.00 174.94 175.54 2b0f h PHE 157 N 8.27 0.71 0.00 3.97 0.04 -1.54 -2.80 116.94 125.60 2b0f h PHE 157 Ca -0.38 -0.52 0.00 0.00 2.80 0.00 0.00 57.97 59.87 2b0f h PHE 157 Cb 1.18 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.30 2b0f h PHE 157 CO 0.69 1.60 0.00 0.41 -0.60 0.00 0.00 178.31 180.41 2b0f n GLY 158 N 1.80 -0.52 3.23 -1.45 0.00 -0.91 -1.09 105.19 106.25 2b0f n GLY 158 Ca -0.22 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 2b0f n GLY 158 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2b0f s ILE 159 N -3.35 1.50 0.19 -0.61 -4.36 -1.04 -0.21 121.20 113.32 2b0f s ILE 159 Ca 0.00 -1.29 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 2b0f s ILE 159 Cb 0.00 -1.35 -0.09 0.00 1.25 0.00 0.00 42.46 42.27 2b0f s ILE 159 CO 0.00 0.02 1.38 -2.28 0.24 0.00 0.00 174.94 174.30 2b0f s HIS 160 N -1.00 3.18 -0.00 1.37 5.65 0.35 -0.16 115.29 124.68 2b0f s HIS 160 Ca 0.05 1.07 0.01 0.00 0.25 0.00 0.00 55.06 56.43 2b0f s HIS 160 Cb -0.09 -3.70 -0.01 0.00 -1.18 0.00 0.00 32.58 27.60 2b0f s HIS 160 CO 0.03 -2.30 0.00 1.55 -0.65 0.00 0.00 174.74 173.37 2b0f n VAL 161 N 2.98 0.03 -2.22 0.89 3.14 0.02 0.46 118.33 123.64 2b0f n VAL 161 Ca 0.08 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2b0f n VAL 161 Cb 0.42 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b0f n GLY 162 N 2.88 1.68 3.52 7.55 0.00 -0.09 -4.81 105.19 115.92 2b0f n GLY 162 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2b0f n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b0f s GLY 163 N -0.37 -0.46 -0.12 -0.02 0.00 -1.26 0.34 107.32 105.43 2b0f s GLY 163 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 44.72 46.03 2b0f s GLY 163 CO 0.00 0.69 0.01 0.21 0.00 0.00 0.00 173.10 174.01 2b0f s ASN 164 N -1.76 2.10 1.57 1.64 3.84 0.06 -4.91 114.94 117.47 2b0f s ASN 164 Ca -0.02 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.68 2b0f s ASN 164 Cb -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 41.25 40.19 2b0f s ASN 164 CO -0.01 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.67 2b0f n GLY 165 N 5.11 1.98 0.24 1.21 0.00 -1.26 -1.46 105.19 111.02 2b0f n GLY 165 Ca -0.08 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2b0f n GLY 165 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2b0f n ARG 166 N 3.40 1.71 -4.61 1.61 1.85 -1.26 -4.85 116.66 114.50 2b0f n ARG 166 Ca 0.00 -2.58 -0.34 0.00 -1.00 0.00 0.00 57.85 53.93 2b0f n ARG 166 Cb 0.00 -1.55 -0.12 0.00 -1.05 0.00 0.00 32.46 29.74 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2b0f s GLN 167 N -2.77 3.12 0.00 2.89 1.11 -0.53 -1.09 119.66 122.39 2b0f s GLN 167 Ca 0.33 -0.58 -0.17 0.00 0.01 0.00 0.00 55.36 54.95 2b0f s GLN 167 Cb 0.28 -2.68 -0.06 0.00 -1.01 0.00 0.00 33.01 29.54 2b0f s GLN 167 CO 0.04 0.45 0.47 0.20 0.01 0.00 0.00 175.29 176.47 2b0f s GLY 168 N -0.24 2.53 -0.09 3.09 0.00 0.28 -0.76 107.32 112.12 2b0f s GLY 168 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2b0f s GLY 168 CO 0.03 0.35 -0.18 -1.36 0.00 0.00 0.00 173.10 171.94 2b0f s PHE 169 N -0.80 2.65 0.30 1.90 0.40 0.15 -1.33 117.98 121.25 2b0f s PHE 169 Ca 0.26 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2b0f s PHE 169 Cb -0.17 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.58 2b0f s PHE 169 CO 0.15 -0.19 -0.05 -1.12 0.70 0.00 0.00 175.22 174.70 2b0f s SER 170 N 0.04 2.91 -0.03 1.36 0.01 0.07 -0.80 113.70 117.26 2b0f s SER 170 Ca -0.07 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 55.98 2b0f s SER 170 Cb -0.15 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2b0f s SER 170 CO 0.05 -0.35 0.01 0.00 0.41 0.00 0.00 173.24 173.37 2b0f s ALA 171 N -2.97 3.33 -0.46 1.44 0.00 0.77 0.11 121.76 124.00 2b0f s ALA 171 Ca 0.31 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 2b0f s ALA 171 Cb 0.04 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2b0f s ALA 171 CO 0.13 0.63 1.05 -0.65 0.00 0.00 0.00 175.76 176.92 2b0f s GLN 172 N -1.33 3.69 -0.85 0.00 -0.21 -0.61 -2.48 119.66 117.87 2b0f s GLN 172 Ca 0.18 0.47 -0.20 0.00 0.02 0.00 0.00 55.36 55.82 2b0f s GLN 172 Cb -0.12 -3.90 0.11 0.00 1.00 0.00 0.00 33.01 30.11 2b0f s GLN 172 CO 0.08 -1.27 1.09 -0.51 -2.12 0.00 0.00 175.29 172.56 2b0f s LEU 173 N 4.11 4.76 0.02 2.90 1.02 -0.25 -4.96 118.68 126.29 2b0f s LEU 173 Ca 0.44 -1.69 -0.22 0.00 0.02 0.00 0.00 54.13 52.67 2b0f s LEU 173 Cb -0.09 -2.41 -0.06 0.00 0.02 0.00 0.00 46.19 43.65 2b0f s LEU 173 CO 0.28 -1.20 0.66 -0.54 0.02 0.00 0.00 176.35 175.57 2b0f s LYS 174 N 3.23 4.38 0.32 1.70 1.02 -1.26 -4.00 119.74 125.14 2b0f s LYS 174 Ca 0.30 0.86 0.09 0.00 0.02 0.00 0.00 55.97 57.24 2b0f s LYS 174 Cb -0.08 -3.34 0.95 0.00 -0.52 0.00 0.00 37.83 34.83 2b0f s LYS 174 CO -0.04 0.36 1.62 -0.22 -0.92 0.00 0.00 175.35 176.15 2b0f h LYS 175 N 5.55 0.13 -0.95 1.68 1.63 -1.25 -2.51 116.57 120.84 2b0f h LYS 175 Ca -0.45 -0.01 0.26 0.00 -0.85 0.00 0.00 60.65 59.60 2b0f h LYS 175 Cb 1.20 -0.03 -0.17 0.00 -0.60 0.00 0.00 32.23 32.63 2b0f h LYS 175 CO 0.70 0.08 0.05 0.37 -3.45 0.00 0.00 179.45 177.20 2b0f h GLN 176 N 0.13 0.04 0.00 1.90 5.75 -1.89 0.13 115.11 121.16 2b0f h GLN 176 Ca 0.67 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 59.12 2b0f h GLN 176 Cb 1.52 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 2b0f h GLN 176 CO -0.74 0.02 -0.24 1.88 -2.65 0.00 0.00 178.83 177.11 2b0f h TYR 177 N 0.04 0.00 0.00 3.99 0.05 -1.87 -3.19 116.97 115.99 2b0f h TYR 177 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 2b0f h TYR 177 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 2b0f h TYR 177 CO -0.46 0.24 -1.01 1.19 -1.05 0.00 0.00 178.16 177.06 2b0f n PHE 178 N -3.25 0.15 0.20 4.88 3.72 0.31 -3.65 117.46 119.81 2b0f n PHE 178 Ca 0.02 0.04 0.08 0.00 -0.05 0.00 0.00 57.45 57.54 2b0f n PHE 178 Cb 0.53 -0.31 0.32 0.00 -0.94 0.00 0.00 39.48 39.07 2b0f n PHE 178 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2b0f h VAL 179 N 0.00 0.64 0.00 -4.37 2.07 -1.17 -2.44 116.25 110.98 2b0f h VAL 179 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2b0f h VAL 179 Cb 0.66 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2b0f h VAL 179 CO 0.00 0.29 0.00 -0.33 0.02 0.00 0.00 177.57 177.55 2b0f h GLU 180 N 0.00 0.00 -6.10 1.57 5.08 -1.63 -3.42 114.58 110.08 2b0f h GLU 180 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2b0f h GLU 180 Cb 0.94 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 2b0f h GLU 180 CO 0.04 0.00 0.81 0.15 -1.00 0.00 0.00 179.01 179.01 2b0f s LYS 181 N -3.55 4.24 0.00 2.33 -0.14 -0.92 -5.15 119.74 116.55 2b0f s LYS 181 Ca 0.03 1.34 0.27 0.00 -1.36 0.00 0.00 55.97 56.25 2b0f s LYS 181 Cb 0.08 -3.65 0.81 0.00 -1.68 0.00 0.00 37.83 33.39 2b0f s LYS 181 CO 0.57 -0.66 1.61 1.04 -0.76 0.00 0.00 175.35 177.15