#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 0.50 -0.07 1.61 0.13 -2.02 0.45 132.00 132.60 2b0f h PRO 2 Ca 0.00 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 2b0f h PRO 2 Cb 0.00 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.02 2b0f h PRO 2 CO 0.00 0.33 -0.47 -2.95 -0.23 0.00 0.00 178.00 174.68 2b0f h ASN 3 N 0.51 0.54 0.33 1.44 -1.07 -1.97 -2.65 115.58 112.71 2b0f h ASN 3 Ca 0.64 -0.67 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2b0f h ASN 3 Cb 1.25 -0.16 -0.03 0.00 -2.07 0.00 0.00 38.32 37.32 2b0f h ASN 3 CO -0.50 1.12 -0.39 0.74 0.07 0.00 0.00 177.43 178.47 2b0f h THR 4 N -0.01 0.20 -0.39 6.14 2.02 -1.55 -0.09 112.91 119.23 2b0f h THR 4 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2b0f h THR 4 Cb 1.13 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2b0f h THR 4 CO 0.10 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 175.83 2b0f h GLU 5 N -0.76 0.55 0.26 6.66 3.07 -1.10 -0.15 114.58 123.11 2b0f h GLU 5 Ca -0.02 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2b0f h GLU 5 Cb 0.70 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2b0f h GLU 5 CO -0.10 0.44 -0.13 0.35 -1.40 0.00 0.00 179.01 178.17 2b0f h PHE 6 N 0.55 -0.33 -0.61 4.33 3.57 -1.11 -2.32 116.94 121.02 2b0f h PHE 6 Ca 0.14 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2b0f h PHE 6 Cb 0.08 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2b0f h PHE 6 CO 0.00 -0.00 0.24 0.00 -2.23 0.00 0.00 178.31 176.32 2b0f h ALA 7 N -0.06 0.79 -0.59 2.41 0.00 -0.85 0.30 119.26 121.26 2b0f h ALA 7 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2b0f h ALA 7 Cb 0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2b0f h ALA 7 CO 0.06 0.41 0.26 1.25 0.00 0.00 0.00 179.25 181.23 2b0f h LEU 8 N 0.85 0.79 -0.26 0.00 6.46 -1.09 0.10 115.31 122.16 2b0f h LEU 8 Ca 0.20 -0.15 -0.11 0.00 -0.12 0.00 0.00 57.88 57.70 2b0f h LEU 8 Cb 0.21 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2b0f h LEU 8 CO -0.02 0.72 -0.27 0.28 -0.62 0.00 0.00 178.44 178.53 2b0f h SER 9 N 0.80 0.69 -0.96 1.25 0.02 -1.26 -2.88 113.55 111.21 2b0f h SER 9 Ca 0.20 -0.48 0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2b0f h SER 9 Cb 0.16 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 2b0f h SER 9 CO -0.02 1.03 0.59 0.25 -1.14 0.00 0.00 176.83 177.54 2b0f h LEU 10 N 0.36 0.88 -0.48 5.07 5.85 -0.12 0.16 115.31 127.02 2b0f h LEU 10 Ca 0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2b0f h LEU 10 Cb 0.84 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2b0f h LEU 10 CO 0.07 0.49 0.30 0.25 -0.34 0.00 0.00 178.44 179.21 2b0f h LEU 11 N 0.97 0.57 -0.63 2.25 6.46 -0.69 0.34 115.31 124.58 2b0f h LEU 11 Ca 0.46 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 58.03 2b0f h LEU 11 Cb 0.40 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 2b0f h LEU 11 CO -0.25 0.45 -0.67 0.03 -0.62 0.00 0.00 178.44 177.38 2b0f h ARG 12 N 0.65 0.00 0.00 1.25 3.08 -1.13 -2.91 114.38 115.32 2b0f h ARG 12 Ca 0.17 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.93 2b0f h ARG 12 Cb -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2b0f h ARG 12 CO -0.03 0.67 -1.72 1.17 -1.07 0.00 0.00 179.97 178.99 2b0f n LYS 13 N -3.71 0.56 -0.00 0.04 3.00 -0.03 -4.75 118.16 113.26 2b0f n LYS 13 Ca -0.01 0.41 0.07 0.00 -0.00 0.00 0.00 58.31 58.79 2b0f n LYS 13 Cb 0.67 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.98 2b0f n LYS 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2b0f n ASN 14 N -4.37 1.44 -4.66 3.14 4.13 0.11 -4.68 115.26 110.37 2b0f n ASN 14 Ca -0.38 -0.22 -0.40 0.00 1.68 0.00 0.00 54.58 55.25 2b0f n ASN 14 Cb 0.72 1.48 -0.05 0.00 -1.54 0.00 0.00 39.78 40.38 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 -2.81 4.99 -0.08 2.41 -1.09 -0.65 -0.98 121.20 122.98 2b0f s ILE 15 Ca -0.02 1.29 0.03 0.00 -2.23 0.00 0.00 60.65 59.72 2b0f s ILE 15 Cb 0.10 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2b0f s ILE 15 CO 0.59 0.09 -0.19 -0.04 -1.23 0.00 0.00 174.94 174.15 2b0f s MET 16 N 1.98 2.49 -0.53 2.79 -1.94 0.15 -4.69 119.30 119.54 2b0f s MET 16 Ca 0.31 -0.69 -0.27 0.00 -1.71 0.00 0.00 55.69 53.32 2b0f s MET 16 Cb -0.16 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.74 2b0f s MET 16 CO 0.11 0.13 1.67 0.99 -0.01 0.00 0.00 175.02 177.91 2b0f s THR 17 N 0.45 3.54 -0.49 2.05 2.01 -1.26 -1.22 115.64 120.72 2b0f s THR 17 Ca -0.17 0.44 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 2b0f s THR 17 Cb -0.17 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.30 2b0f s THR 17 CO 0.07 -0.91 0.76 -0.63 -0.69 0.00 0.00 174.62 173.22 2b0f s ILE 18 N 7.45 4.66 -0.46 1.82 1.01 -0.23 -0.35 121.20 135.11 2b0f s ILE 18 Ca 0.64 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 2b0f s ILE 18 Cb -0.14 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 38.01 2b0f s ILE 18 CO 0.25 -0.82 1.12 -0.89 0.00 0.00 0.00 174.94 174.59 2b0f s THR 19 N 3.23 4.25 0.06 2.92 2.01 0.76 -1.22 115.64 127.65 2b0f s THR 19 Ca 0.25 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.50 2b0f s THR 19 Cb -0.14 -4.58 -0.00 0.00 0.01 0.00 0.00 72.50 67.79 2b0f s THR 19 CO 0.19 -0.95 0.03 1.07 -0.69 0.00 0.00 174.62 174.27 2b0f n THR 20 N 6.72 0.00 0.26 -0.82 5.66 0.21 -2.74 114.28 123.58 2b0f n THR 20 Ca 0.12 -0.40 0.10 0.00 -3.05 0.00 0.00 64.05 60.81 2b0f n THR 20 Cb 0.49 0.16 0.69 0.00 -1.55 0.00 0.00 70.33 70.13 2b0f n THR 20 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2b0f h SER 21 N 0.30 0.00 0.15 1.09 0.02 -1.75 -1.84 113.55 111.51 2b0f h SER 21 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2b0f h SER 21 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2b0f h SER 21 CO 0.07 0.04 -0.29 0.29 -1.14 0.00 0.00 176.83 175.80 2b0f n LYS 22 N -4.27 1.01 0.00 3.45 4.76 -1.25 -5.05 118.16 116.81 2b0f n LYS 22 Ca -0.03 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 2b0f n LYS 22 Cb 0.12 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2b0f n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b0f n GLY 23 N 1.35 0.52 3.41 0.72 0.00 -0.69 -5.03 105.19 105.46 2b0f n GLY 23 Ca 0.12 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.87 3.48 0.37 1.61 2.02 -1.26 0.67 118.70 124.72 2b0f s GLU 24 Ca 0.00 -0.63 0.08 0.00 0.02 0.00 0.00 54.97 54.44 2b0f s GLU 24 Cb 0.00 -2.75 -0.07 0.00 0.10 0.00 0.00 34.13 31.42 2b0f s GLU 24 CO 0.00 0.20 0.01 -0.06 0.02 0.00 0.00 175.26 175.42 2b0f s PHE 25 N 0.42 2.51 -0.74 1.61 0.40 -0.36 -0.18 117.98 121.64 2b0f s PHE 25 Ca -0.08 -0.55 -0.27 0.00 -0.60 0.00 0.00 56.93 55.44 2b0f s PHE 25 Cb -0.15 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.78 2b0f s PHE 25 CO 0.04 0.46 1.36 0.99 0.70 0.00 0.00 175.22 178.77 2b0f s THR 26 N -2.62 3.69 -0.13 0.64 2.01 -1.24 -1.06 115.64 116.93 2b0f s THR 26 Ca 0.35 0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.61 2b0f s THR 26 Cb 0.04 -4.81 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 2b0f s THR 26 CO 0.19 -1.75 0.07 -0.83 -0.69 0.00 0.00 174.62 171.61 2b0f s GLY 27 N 4.35 1.99 -0.10 4.40 0.00 -0.36 -4.63 107.32 112.97 2b0f s GLY 27 Ca 0.40 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.43 2b0f s GLY 27 CO 0.14 -0.27 -0.22 0.48 0.00 0.00 0.00 173.10 173.22 2b0f s LEU 28 N -0.49 2.02 -0.49 0.66 2.34 -1.03 0.29 118.68 121.99 2b0f s LEU 28 Ca 0.10 -0.52 -0.29 0.00 0.06 0.00 0.00 54.13 53.48 2b0f s LEU 28 Cb -0.12 -1.32 0.03 0.00 -0.56 0.00 0.00 46.19 44.22 2b0f s LEU 28 CO 0.02 0.14 1.15 -0.83 -1.06 0.00 0.00 176.35 175.77 2b0f s GLY 29 N 0.41 1.27 0.11 -3.48 0.00 -0.15 -1.04 107.32 104.44 2b0f s GLY 29 Ca -0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 2b0f s GLY 29 CO 0.08 2.44 1.50 -2.22 0.00 0.00 0.00 173.10 174.89 2b0f h ILE 30 N 6.24 1.28 -1.41 0.90 1.08 -0.78 -3.43 117.51 121.40 2b0f h ILE 30 Ca -0.23 -1.21 0.12 0.00 -0.39 0.00 0.00 64.86 63.15 2b0f h ILE 30 Cb 1.06 1.36 -0.26 0.00 -3.07 0.00 0.00 36.82 35.91 2b0f h ILE 30 CO 1.13 0.40 0.65 -1.38 -0.69 0.00 0.00 178.15 178.26 2b0f s HIS 31 N -4.69 -0.29 0.00 1.37 -3.43 -1.16 -0.69 115.29 106.40 2b0f s HIS 31 Ca -0.13 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 2b0f s HIS 31 Cb 0.09 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2b0f s HIS 31 CO 0.81 -0.22 0.00 -0.25 -2.00 0.00 0.00 174.74 173.08 2b0f n ASP 32 N 1.09 0.00 0.00 7.38 8.00 -0.75 -0.19 116.55 132.08 2b0f n ASP 32 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2b0f n ASP 32 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2b0f n ASP 32 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2b0f n ARG 33 N 0.00 0.87 -3.65 -1.24 1.85 -1.26 -1.68 116.66 111.55 2b0f n ARG 33 Ca 0.00 -0.78 -0.39 0.00 -1.00 0.00 0.00 57.85 55.68 2b0f n ARG 33 Cb 0.00 -0.65 -0.12 0.00 -1.05 0.00 0.00 32.46 30.64 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2b0f s VAL 34 N -0.29 4.50 0.03 8.89 1.01 0.74 -1.32 120.40 133.96 2b0f s VAL 34 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2b0f s VAL 34 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2b0f s VAL 34 CO 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 175.10 174.85 2b0f s VAL 36 N -0.84 3.10 -0.06 0.00 -7.23 -0.21 0.24 120.40 115.39 2b0f s VAL 36 Ca 0.13 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 2b0f s VAL 36 Cb -0.10 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2b0f s VAL 36 CO 0.03 0.41 0.28 -0.51 -0.31 0.00 0.00 175.10 175.00 2b0f s ILE 37 N -0.91 0.03 0.56 -0.62 2.07 -0.46 -2.45 121.20 119.42 2b0f s ILE 37 Ca 0.15 -0.26 -0.19 0.00 -1.41 0.00 0.00 60.65 58.94 2b0f s ILE 37 Cb -0.11 -0.48 -0.08 0.00 0.13 0.00 0.00 42.46 41.92 2b0f s ILE 37 CO 0.05 -0.14 0.69 -2.65 -1.91 0.00 0.00 174.94 170.98 2b0f n PRO 38 N 2.15 0.69 -0.02 3.50 -0.02 -1.26 -0.80 135.00 139.22 2b0f n PRO 38 Ca -0.17 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 2b0f n PRO 38 Cb 0.57 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 32.24 2b0f n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2b0f h THR 39 N 0.44 1.30 0.00 3.45 2.02 -1.69 -2.97 112.91 115.47 2b0f h THR 39 Ca -0.46 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.00 2b0f h THR 39 Cb 1.38 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2b0f h THR 39 CO 0.49 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.93 2b0f n HIS 40 N -3.99 0.00 0.25 3.16 1.44 -1.26 -1.12 115.22 113.70 2b0f n HIS 40 Ca -0.03 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.82 2b0f n HIS 40 Cb 0.59 -0.40 0.55 0.00 0.12 0.00 0.00 29.99 30.85 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 2.26 1.01 -5.64 1.59 0.00 -1.89 -3.46 119.26 113.13 2b0f h ALA 41 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2b0f h ALA 41 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b0f h ALA 41 CO 0.00 0.12 -0.34 1.04 0.00 0.00 0.00 179.25 180.07 2b0f n GLN 42 N -3.23 -1.60 -2.33 0.00 1.13 -0.28 -3.81 117.38 107.27 2b0f n GLN 42 Ca 0.01 1.50 -0.41 0.00 -1.94 0.00 0.00 57.00 56.15 2b0f n GLN 42 Cb 0.37 -4.98 -0.03 0.00 0.11 0.00 0.00 30.24 25.71 2b0f n GLN 42 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2b0f s PRO 43 N -3.21 4.47 0.00 -1.09 0.02 -1.26 -4.32 135.00 129.60 2b0f s PRO 43 Ca 0.07 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2b0f s PRO 43 Cb -0.02 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2b0f s PRO 43 CO 0.79 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.75 2b0f n GLY 44 N 2.15 0.54 0.19 0.52 0.00 -1.26 -4.98 105.19 102.35 2b0f n GLY 44 Ca 0.04 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.31 2b0f n GLY 44 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b0f h ASP 45 N 0.00 0.00 -3.58 1.61 2.03 -1.96 -3.43 116.42 111.09 2b0f h ASP 45 Ca 0.00 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.02 2b0f h ASP 45 Cb 0.00 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.18 2b0f h ASP 45 CO 0.00 0.30 -0.73 1.51 -1.03 0.00 0.00 179.24 179.29 2b0f s ASP 46 N -6.30 0.08 0.11 4.15 -4.77 -1.26 0.10 116.67 108.79 2b0f s ASP 46 Ca 0.03 0.02 0.11 0.00 -3.30 0.00 0.00 52.55 49.41 2b0f s ASP 46 Cb 0.08 -0.06 -0.04 0.00 -1.09 0.00 0.00 42.92 41.82 2b0f s ASP 46 CO 0.68 -0.09 -0.26 -0.69 0.70 0.00 0.00 175.17 175.51 2b0f s VAL 47 N 0.75 2.26 -0.51 2.11 1.01 -0.14 -4.93 120.40 120.97 2b0f s VAL 47 Ca -0.06 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.08 2b0f s VAL 47 Cb -0.09 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.38 2b0f s VAL 47 CO -0.02 0.15 0.54 -0.76 0.00 0.00 0.00 175.10 175.01 2b0f s LEU 48 N -1.88 5.35 -0.44 3.92 1.43 -1.11 -1.22 118.68 124.73 2b0f s LEU 48 Ca 0.14 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 51.85 2b0f s LEU 48 Cb -0.10 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.83 2b0f s LEU 48 CO 0.05 -0.82 0.57 0.54 0.23 0.00 0.00 176.35 176.92 2b0f s VAL 49 N 2.19 4.92 -0.54 -1.59 0.11 0.74 -0.17 120.40 126.07 2b0f s VAL 49 Ca 0.10 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2b0f s VAL 49 Cb -0.22 -4.17 0.00 0.00 -1.53 0.00 0.00 36.38 30.46 2b0f s VAL 49 CO 0.09 -0.58 0.00 -0.46 -3.33 0.00 0.00 175.10 170.82 2b0f n ASN 50 N 6.02 -2.29 0.00 3.54 6.94 0.53 -0.63 115.26 129.38 2b0f n ASN 50 Ca -0.04 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 2b0f n ASN 50 Cb 0.47 -2.07 0.00 0.00 -2.36 0.00 0.00 39.78 35.82 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2b0f n GLY 51 N -0.56 2.37 3.74 4.83 0.00 -1.26 -5.06 105.19 109.24 2b0f n GLY 51 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2b0f n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b0f s GLN 52 N -0.17 4.41 -0.28 1.61 0.74 0.19 -5.03 119.66 121.14 2b0f s GLN 52 Ca 0.00 0.86 -0.24 0.00 0.05 0.00 0.00 55.36 56.02 2b0f s GLN 52 Cb 0.00 -3.40 -0.00 0.00 1.10 0.00 0.00 33.01 30.71 2b0f s GLN 52 CO 0.00 0.20 0.82 0.21 -0.55 0.00 0.00 175.29 175.97 2b0f s LYS 53 N 0.32 4.07 -0.06 1.67 2.20 -1.26 -0.18 119.74 126.49 2b0f s LYS 53 Ca 0.35 0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 56.71 2b0f s LYS 53 Cb -0.18 -3.69 0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2b0f s LYS 53 CO 0.18 -0.62 0.05 -1.50 -0.36 0.00 0.00 175.35 173.10 2b0f s ILE 54 N 2.94 0.04 0.55 5.43 1.10 -0.36 -4.99 121.20 125.91 2b0f s ILE 54 Ca 0.34 0.29 -0.18 0.00 -0.51 0.00 0.00 60.65 60.58 2b0f s ILE 54 Cb -0.14 -0.30 -0.05 0.00 0.15 0.00 0.00 42.46 42.11 2b0f s ILE 54 CO 0.10 0.17 1.08 0.00 -2.11 0.00 0.00 174.94 174.18 2b0f s ARG 55 N 2.11 3.42 0.12 3.50 1.70 -1.26 -0.96 118.95 127.57 2b0f s ARG 55 Ca 0.05 1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 56.41 2b0f s ARG 55 Cb -0.12 -2.03 -0.07 0.00 -0.57 0.00 0.00 34.95 32.16 2b0f s ARG 55 CO -0.04 -0.75 1.16 0.54 -1.08 0.00 0.00 175.30 175.13 2b0f s VAL 56 N -2.08 3.93 -0.24 4.99 0.11 0.12 -4.75 120.40 122.48 2b0f s VAL 56 Ca 0.68 1.50 -0.00 0.00 -2.93 0.00 0.00 61.98 61.23 2b0f s VAL 56 Cb -0.19 -3.96 -0.18 0.00 -1.53 0.00 0.00 36.38 30.52 2b0f s VAL 56 CO 0.29 0.18 -0.14 1.17 -3.33 0.00 0.00 175.10 173.28 2b0f n LYS 57 N 3.17 0.66 -3.68 1.54 3.00 -0.74 -4.98 118.16 117.14 2b0f n LYS 57 Ca 0.06 0.18 -0.11 0.00 -0.00 0.00 0.00 58.31 58.44 2b0f n LYS 57 Cb 0.46 -1.55 -0.09 0.00 0.00 0.00 0.00 35.03 33.85 2b0f n LYS 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2b0f s ASP 58 N -6.65 -0.65 -0.12 3.14 2.15 -0.75 -5.03 116.67 108.76 2b0f s ASP 58 Ca -0.33 1.15 -0.02 0.00 0.43 0.00 0.00 52.55 53.78 2b0f s ASP 58 Cb 0.09 1.09 0.04 0.00 -0.30 0.00 0.00 42.92 43.84 2b0f s ASP 58 CO 0.62 -0.20 0.03 -0.75 -0.17 0.00 0.00 175.17 174.70 2b0f s LYS 59 N 0.94 0.47 -0.12 4.34 2.20 -1.26 0.31 119.74 126.63 2b0f s LYS 59 Ca -0.05 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 2b0f s LYS 59 Cb -0.05 -1.42 0.01 0.00 -1.51 0.00 0.00 37.83 34.86 2b0f s LYS 59 CO -0.08 -0.47 -0.18 -0.47 -0.36 0.00 0.00 175.35 173.78 2b0f s TYR 60 N 1.98 2.26 -0.41 4.03 5.04 -0.48 -4.96 117.35 124.81 2b0f s TYR 60 Ca 0.03 -1.08 -0.26 0.00 -2.44 0.00 0.00 57.07 53.32 2b0f s TYR 60 Cb -0.14 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.61 2b0f s TYR 60 CO -0.06 -0.51 0.93 0.15 -1.34 0.00 0.00 175.55 174.71 2b0f s LYS 61 N 0.85 3.71 -0.45 4.97 1.02 -1.26 0.50 119.74 129.08 2b0f s LYS 61 Ca -0.08 0.40 -0.29 0.00 0.02 0.00 0.00 55.97 56.02 2b0f s LYS 61 Cb -0.15 -3.86 0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2b0f s LYS 61 CO -0.00 -1.07 1.40 -0.51 -0.92 0.00 0.00 175.35 174.25 2b0f s LEU 62 N 3.61 3.55 0.04 3.17 1.43 0.42 -4.95 118.68 125.95 2b0f s LEU 62 Ca 0.38 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2b0f s LEU 62 Cb -0.11 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2b0f s LEU 62 CO 0.22 -1.48 0.16 0.68 0.23 0.00 0.00 176.35 176.16 2b0f s VAL 63 N 5.53 5.16 0.35 -1.59 -7.23 -1.26 -2.52 120.40 118.83 2b0f s VAL 63 Ca 0.59 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 60.06 2b0f s VAL 63 Cb -0.13 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.24 2b0f s VAL 63 CO 0.31 0.19 1.28 -0.62 -0.31 0.00 0.00 175.10 175.96 2b0f s ASP 64 N -2.30 6.68 0.61 4.85 2.15 0.29 -4.74 116.67 124.21 2b0f s ASP 64 Ca 0.31 2.62 0.26 0.00 0.43 0.00 0.00 52.55 56.18 2b0f s ASP 64 Cb -0.13 -2.64 1.15 0.00 -0.30 0.00 0.00 42.92 41.00 2b0f s ASP 64 CO 0.24 -0.59 1.57 1.55 -0.17 0.00 0.00 175.17 177.76 2b0f h PRO 65 N 3.19 0.00 0.00 4.34 0.13 -1.98 0.79 132.00 138.47 2b0f h PRO 65 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2b0f h PRO 65 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2b0f h PRO 65 CO 0.65 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 2b0f n GLU 66 N -3.36 0.92 -2.21 0.86 4.71 -1.26 -4.83 120.64 115.47 2b0f n GLU 66 Ca 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.22 2b0f n GLU 66 Cb 1.08 -1.01 -0.00 0.00 -1.01 0.00 0.00 31.44 30.50 2b0f n GLU 66 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2b0f n ASN 67 N -0.51 -2.79 -4.44 1.62 3.02 0.27 -5.05 115.26 107.38 2b0f n ASN 67 Ca 0.00 -0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.27 2b0f n ASN 67 Cb 0.00 -2.04 -0.11 0.00 -0.61 0.00 0.00 39.78 37.02 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 -2.43 2.44 0.14 2.41 1.01 -1.13 -4.94 121.20 118.70 2b0f s ILE 68 Ca 0.02 -2.08 -0.31 0.00 0.00 0.00 0.00 60.65 58.27 2b0f s ILE 68 Cb -0.01 -2.19 -0.10 0.00 0.01 0.00 0.00 42.46 40.17 2b0f s ILE 68 CO 0.02 -0.17 1.56 0.21 0.00 0.00 0.00 174.94 176.56 2b0f s ASN 69 N -2.85 6.62 -0.06 3.58 2.47 -1.16 0.10 114.94 123.64 2b0f s ASN 69 Ca 0.23 2.56 0.17 0.00 0.42 0.00 0.00 52.86 56.24 2b0f s ASN 69 Cb -0.07 -2.59 -0.25 0.00 -1.45 0.00 0.00 41.25 36.89 2b0f s ASN 69 CO 0.11 -0.82 0.30 -0.11 -3.72 0.00 0.00 177.10 172.87 2b0f n LEU 70 N 4.24 0.00 0.00 3.21 7.94 -1.13 -2.08 117.00 129.18 2b0f n LEU 70 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2b0f n LEU 70 Cb 0.39 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2b0f n LEU 70 CO 0.61 0.10 0.00 1.21 -1.11 0.00 0.00 177.39 178.20 2b0f n GLU 71 N -2.23 -0.41 -3.11 1.96 4.07 -1.05 -4.85 120.64 115.02 2b0f n GLU 71 Ca -0.09 0.10 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 2b0f n GLU 71 Cb 0.60 -3.41 -0.06 0.00 -0.06 0.00 0.00 31.44 28.50 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 0.00 4.67 -0.40 4.31 2.01 -1.19 -1.72 118.68 126.36 2b0f s LEU 72 Ca 0.00 -0.60 -0.22 0.00 0.01 0.00 0.00 54.13 53.32 2b0f s LEU 72 Cb 0.00 -2.60 0.01 0.00 0.01 0.00 0.00 46.19 43.61 2b0f s LEU 72 CO 0.00 -0.87 0.71 -0.89 1.01 0.00 0.00 176.35 176.31 2b0f s THR 73 N 2.83 4.78 -0.56 5.49 2.01 0.02 0.16 115.64 130.36 2b0f s THR 73 Ca 0.20 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 2b0f s THR 73 Cb -0.16 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.19 2b0f s THR 73 CO 0.16 -0.50 1.09 -0.69 -0.69 0.00 0.00 174.62 173.99 2b0f s VAL 74 N 2.97 4.17 -0.52 3.82 1.01 0.18 -1.35 120.40 130.69 2b0f s VAL 74 Ca 0.27 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 2b0f s VAL 74 Cb -0.13 -4.65 0.12 0.00 0.00 0.00 0.00 36.38 31.72 2b0f s VAL 74 CO 0.18 -1.23 0.45 -0.22 0.00 0.00 0.00 175.10 174.28 2b0f s LEU 75 N 4.53 6.00 -0.43 3.92 2.96 0.14 -1.39 118.68 134.41 2b0f s LEU 75 Ca 0.38 -1.73 -0.21 0.00 -0.22 0.00 0.00 54.13 52.35 2b0f s LEU 75 Cb -0.09 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.45 2b0f s LEU 75 CO 0.23 -0.79 0.65 -0.89 -1.32 0.00 0.00 176.35 174.23 2b0f s THR 76 N 1.56 4.82 -0.19 3.68 2.01 0.15 -1.70 115.64 125.97 2b0f s THR 76 Ca 0.04 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 2b0f s THR 76 Cb -0.28 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.03 2b0f s THR 76 CO 0.03 -0.59 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.45 2b0f s LEU 77 N 2.85 2.34 -0.52 4.42 1.43 -0.43 -1.79 118.68 126.97 2b0f s LEU 77 Ca 0.23 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 2b0f s LEU 77 Cb -0.14 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2b0f s LEU 77 CO 0.19 -0.00 2.01 1.51 0.23 0.00 0.00 176.35 180.29 2b0f s ASP 78 N 1.32 5.15 -0.19 2.29 1.47 -1.26 -4.60 116.67 120.85 2b0f s ASP 78 Ca 0.05 0.74 -0.08 0.00 1.18 0.00 0.00 52.55 54.43 2b0f s ASP 78 Cb -0.13 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 39.88 2b0f s ASP 78 CO -0.10 -2.40 0.09 -0.60 0.68 0.00 0.00 175.17 172.84 2b0f s ARG 79 N 7.13 4.05 0.32 2.11 6.06 -1.26 -4.99 118.95 132.36 2b0f s ARG 79 Ca 0.78 -0.30 0.17 0.00 -2.50 0.00 0.00 55.73 53.88 2b0f s ARG 79 Cb -0.16 -3.29 0.34 0.00 0.06 0.00 0.00 34.95 31.89 2b0f s ARG 79 CO 0.25 0.27 1.57 -0.91 -2.50 0.00 0.00 175.30 173.98 2b0f h ASN 80 N 6.73 0.00 -3.74 -2.12 2.35 -1.90 -3.41 115.58 113.47 2b0f h ASN 80 Ca -0.38 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.74 2b0f h ASN 80 Cb 1.16 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.38 2b0f h ASN 80 CO 0.72 0.47 -0.33 -1.83 -1.65 0.00 0.00 177.43 174.80 2b0f s GLU 81 N -3.23 4.01 0.05 0.81 -1.05 -1.26 -5.05 118.70 112.98 2b0f s GLU 81 Ca 0.02 -0.07 -0.31 0.00 -0.15 0.00 0.00 54.97 54.46 2b0f s GLU 81 Cb 0.09 -3.64 -0.06 0.00 -0.44 0.00 0.00 34.13 30.09 2b0f s GLU 81 CO 0.72 -0.21 1.23 0.15 0.95 0.00 0.00 175.26 178.10 2b0f s LYS 82 N 1.85 4.41 0.20 -4.83 1.02 -1.26 -4.81 119.74 116.31 2b0f s LYS 82 Ca 0.12 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.62 2b0f s LYS 82 Cb -0.16 -3.37 -0.08 0.00 -0.52 0.00 0.00 37.83 33.71 2b0f s LYS 82 CO 0.10 -0.31 1.03 -0.06 -0.92 0.00 0.00 175.35 175.19 2b0f s PHE 83 N 1.23 3.73 0.08 3.18 0.08 -0.68 -4.76 117.98 120.85 2b0f s PHE 83 Ca 0.59 1.74 -0.37 0.00 0.12 0.00 0.00 56.93 59.02 2b0f s PHE 83 Cb -0.30 -3.16 -0.18 0.00 -0.57 0.00 0.00 43.02 38.81 2b0f s PHE 83 CO 0.28 -0.18 1.15 -2.13 -0.10 0.00 0.00 175.22 174.25 2b0f n ARG 84 N 1.97 0.67 -2.42 0.44 0.63 -1.26 -1.81 116.66 114.87 2b0f n ARG 84 Ca 0.01 0.24 -0.38 0.00 -0.92 0.00 0.00 57.85 56.80 2b0f n ARG 84 Cb 0.47 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.58 2b0f n ARG 84 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2b0f s ASP 85 N 0.11 6.08 -0.16 6.15 -4.77 -1.26 -4.13 116.67 118.69 2b0f s ASP 85 Ca 0.83 -0.98 0.09 0.00 -3.30 0.00 0.00 52.55 49.20 2b0f s ASP 85 Cb -1.04 -2.56 0.56 0.00 -1.09 0.00 0.00 42.92 38.78 2b0f s ASP 85 CO 0.52 -1.88 1.35 2.30 0.70 0.00 0.00 175.17 178.16 2b0f n ILE 86 N 7.01 1.88 -0.29 2.11 -5.35 0.13 -4.34 119.36 120.52 2b0f n ILE 86 Ca 0.28 -0.95 -0.03 0.00 -0.27 0.00 0.00 62.75 61.77 2b0f n ILE 86 Cb 0.50 -0.35 0.13 0.00 -1.74 0.00 0.00 39.64 38.18 2b0f n ILE 86 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2b0f h ARG 87 N 2.70 1.16 0.00 6.28 2.43 -1.86 -2.32 114.38 122.78 2b0f h ARG 87 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2b0f h ARG 87 Cb 1.52 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2b0f h ARG 87 CO 0.34 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 180.06 2b0f n GLY 88 N -1.14 -1.38 0.13 2.80 0.00 -1.26 -2.78 105.19 101.56 2b0f n GLY 88 Ca 0.09 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2b0f n GLY 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2b0f h PHE 89 N 0.00 0.00 -3.97 1.61 0.04 -1.66 -3.46 116.94 109.50 2b0f h PHE 89 Ca 0.00 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 2b0f h PHE 89 Cb 0.46 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.64 2b0f h PHE 89 CO 0.00 0.06 0.43 0.42 -0.60 0.00 0.00 178.31 178.62 2b0f s ILE 90 N -3.29 3.59 -0.02 -0.55 1.01 -1.12 0.14 121.20 120.96 2b0f s ILE 90 Ca 0.01 1.21 0.08 0.00 0.00 0.00 0.00 60.65 61.95 2b0f s ILE 90 Cb 0.09 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2b0f s ILE 90 CO 0.77 -0.00 -0.26 -0.94 0.00 0.00 0.00 174.94 174.51 2b0f s SER 91 N -1.53 3.02 0.01 3.58 1.04 -1.10 -4.57 113.70 114.15 2b0f s SER 91 Ca 0.59 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 2b0f s SER 91 Cb -0.23 -0.38 -0.29 0.00 0.10 0.00 0.00 66.02 65.22 2b0f s SER 91 CO 0.29 0.31 1.03 1.05 0.98 0.00 0.00 173.24 176.90 2b0f h GLU 92 N 5.54 0.46 -5.01 4.02 4.11 -1.86 -2.58 114.58 119.25 2b0f h GLU 92 Ca -0.42 -0.63 -0.66 0.00 0.07 0.00 0.00 59.36 57.72 2b0f h GLU 92 Cb 1.13 0.21 -0.28 0.00 0.50 0.00 0.00 28.75 30.31 2b0f h GLU 92 CO 0.47 1.26 -0.73 0.34 0.07 0.00 0.00 179.01 180.43 2b0f s ASP 93 N -7.10 4.25 0.01 3.06 2.15 -1.26 -4.67 116.67 113.11 2b0f s ASP 93 Ca -0.12 -0.39 -0.07 0.00 0.43 0.00 0.00 52.55 52.40 2b0f s ASP 93 Cb 0.03 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.89 2b0f s ASP 93 CO 0.87 -0.01 1.10 -0.07 -0.17 0.00 0.00 175.17 176.90 2b0f h LEU 94 N 8.03 -0.22 -2.60 -1.34 3.38 -1.96 -3.48 115.31 117.12 2b0f h LEU 94 Ca -0.41 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2b0f h LEU 94 Cb 1.16 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2b0f h LEU 94 CO 0.60 -0.15 -0.23 1.21 0.09 0.00 0.00 178.44 179.97 2b0f n GLU 95 N -2.71 -1.44 -2.85 1.13 2.13 -1.26 -4.98 120.64 110.66 2b0f n GLU 95 Ca -0.03 1.43 0.03 0.00 0.66 0.00 0.00 57.16 59.25 2b0f n GLU 95 Cb 0.10 -5.15 0.01 0.00 0.27 0.00 0.00 31.44 26.66 2b0f n GLU 95 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2b0f s GLY 96 N -2.95 -1.34 0.00 8.31 0.00 -1.26 -5.03 107.32 105.05 2b0f s GLY 96 Ca 0.02 1.77 0.22 0.00 0.00 0.00 0.00 44.72 46.73 2b0f s GLY 96 CO 0.78 4.35 1.63 1.55 0.00 0.00 0.00 173.10 181.41 2b0f n VAL 97 N 4.07 0.13 -4.11 1.40 3.14 -1.26 -4.68 118.33 117.02 2b0f n VAL 97 Ca 0.07 -0.26 -0.24 0.00 -2.96 0.00 0.00 64.34 60.94 2b0f n VAL 97 Cb 0.62 0.25 -0.17 0.00 -1.06 0.00 0.00 33.84 33.49 2b0f n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2b0f s ASP 98 N -1.66 1.77 0.12 6.55 -1.08 -1.24 -1.03 116.67 120.09 2b0f s ASP 98 Ca 0.33 -0.24 -0.03 0.00 -0.52 0.00 0.00 52.55 52.09 2b0f s ASP 98 Cb 0.17 -0.71 -0.03 0.00 -1.46 0.00 0.00 42.92 40.89 2b0f s ASP 98 CO 0.27 -0.08 0.09 0.00 0.52 0.00 0.00 175.17 175.97 2b0f s ALA 99 N 1.33 0.56 0.01 3.66 0.00 -0.13 -4.90 121.76 122.30 2b0f s ALA 99 Ca -0.03 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.74 2b0f s ALA 99 Cb -0.14 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 2b0f s ALA 99 CO -0.03 -0.49 -0.18 0.99 0.00 0.00 0.00 175.76 176.04 2b0f s THR 100 N -3.99 2.76 -0.18 0.00 2.01 0.65 -1.18 115.64 115.70 2b0f s THR 100 Ca 0.18 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 2b0f s THR 100 Cb 0.07 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.46 2b0f s THR 100 CO -0.02 0.43 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.98 2b0f s LEU 101 N -1.17 2.49 -0.24 4.42 1.98 0.13 -0.30 118.68 125.98 2b0f s LEU 101 Ca 0.13 -0.50 0.02 0.00 -2.89 0.00 0.00 54.13 50.89 2b0f s LEU 101 Cb -0.10 -1.59 0.05 0.00 0.66 0.00 0.00 46.19 45.20 2b0f s LEU 101 CO 0.03 0.03 -0.13 0.54 -1.89 0.00 0.00 176.35 174.93 2b0f s VAL 102 N 1.16 2.23 -0.11 1.68 0.11 -0.19 -0.22 120.40 125.05 2b0f s VAL 102 Ca 0.01 -1.40 -0.08 0.00 -2.93 0.00 0.00 61.98 57.59 2b0f s VAL 102 Cb -0.14 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2b0f s VAL 102 CO -0.05 0.13 0.17 -0.69 -3.33 0.00 0.00 175.10 171.33 2b0f s VAL 103 N 1.17 5.46 -0.40 2.04 1.01 0.36 -0.65 120.40 129.40 2b0f s VAL 103 Ca -0.04 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.31 2b0f s VAL 103 Cb -0.18 -3.43 0.34 0.00 0.00 0.00 0.00 36.38 33.11 2b0f s VAL 103 CO -0.07 0.61 0.86 1.57 0.00 0.00 0.00 175.10 178.08 2b0f n HIS 104 N 2.00 -0.76 -3.80 5.22 -0.00 -1.20 -0.36 115.22 116.32 2b0f n HIS 104 Ca -0.19 -3.25 -0.25 0.00 0.46 0.00 0.00 57.72 54.48 2b0f n HIS 104 Cb 0.55 0.24 0.01 0.00 -0.12 0.00 0.00 29.99 30.66 2b0f n HIS 104 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2b0f n SER 105 N 0.29 2.66 -0.12 0.26 7.64 -0.48 -3.59 113.62 120.27 2b0f n SER 105 Ca 0.18 -2.82 -0.10 0.00 1.01 0.00 0.00 58.87 57.14 2b0f n SER 105 Cb 0.68 -0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 2b0f n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2b0f h ASN 106 N 0.59 0.92 0.50 6.43 -1.07 -0.89 -2.75 115.58 119.32 2b0f h ASN 106 Ca -0.33 -0.36 -0.02 0.00 0.07 0.00 0.00 56.30 55.65 2b0f h ASN 106 Cb 1.24 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.24 2b0f h ASN 106 CO 0.52 1.12 -0.24 0.78 0.07 0.00 0.00 177.43 179.68 2b0f h ASN 107 N 0.76 -0.57 -3.84 6.14 2.35 -1.81 -3.38 115.58 115.23 2b0f h ASN 107 Ca 0.09 0.02 -0.73 0.00 -0.55 0.00 0.00 56.30 55.14 2b0f h ASN 107 Cb 0.81 0.15 -0.32 0.00 0.05 0.00 0.00 38.32 39.01 2b0f h ASN 107 CO 0.07 -0.16 -0.26 -0.36 -1.65 0.00 0.00 177.43 175.07 2b0f s PHE 108 N -3.73 3.51 -0.43 1.19 0.40 -1.19 -5.04 117.98 112.70 2b0f s PHE 108 Ca -0.10 -2.33 -0.21 0.00 -0.60 0.00 0.00 56.93 53.69 2b0f s PHE 108 Cb 0.01 -3.43 0.02 0.00 0.51 0.00 0.00 43.02 40.13 2b0f s PHE 108 CO 0.29 -0.92 0.64 0.99 0.70 0.00 0.00 175.22 176.92 2b0f s THR 109 N 0.36 4.84 -0.55 0.64 2.01 -1.04 -1.39 115.64 120.52 2b0f s THR 109 Ca 0.14 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2b0f s THR 109 Cb -0.19 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2b0f s THR 109 CO -0.04 -0.56 0.55 -3.20 -0.69 0.00 0.00 174.62 170.68 2b0f n ASN 110 N 6.22 -6.67 -3.78 3.53 5.15 -0.32 -4.95 115.26 114.45 2b0f n ASN 110 Ca -0.02 0.03 -0.29 0.00 -0.60 0.00 0.00 54.58 53.70 2b0f n ASN 110 Cb 0.48 -4.47 -0.15 0.00 -0.53 0.00 0.00 39.78 35.11 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2b0f s THR 111 N -2.87 0.97 -0.33 -0.44 2.01 0.51 -4.98 115.64 110.51 2b0f s THR 111 Ca 0.04 -1.25 -0.09 0.00 0.31 0.00 0.00 61.69 60.69 2b0f s THR 111 Cb -0.01 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.90 2b0f s THR 111 CO 0.60 -0.50 0.15 -0.51 -0.69 0.00 0.00 174.62 173.68 2b0f s ILE 112 N 1.60 4.38 -0.06 1.82 2.07 -1.26 -0.49 121.20 129.26 2b0f s ILE 112 Ca 0.05 -0.69 0.05 0.00 -1.41 0.00 0.00 60.65 58.65 2b0f s ILE 112 Cb -0.18 -3.33 -0.01 0.00 0.13 0.00 0.00 42.46 39.08 2b0f s ILE 112 CO -0.18 -0.05 -0.22 -0.76 -1.91 0.00 0.00 174.94 171.82 2b0f s LEU 113 N 1.55 2.00 -0.58 8.50 1.43 0.69 -4.99 118.68 127.29 2b0f s LEU 113 Ca 0.03 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 2b0f s LEU 113 Cb -0.18 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2b0f s LEU 113 CO 0.05 0.19 0.95 -1.61 0.23 0.00 0.00 176.35 176.16 2b0f s GLU 114 N 0.02 3.28 0.04 1.70 2.02 -1.26 0.19 118.70 124.69 2b0f s GLU 114 Ca -0.06 -0.39 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 2b0f s GLU 114 Cb -0.14 -4.09 -0.27 0.00 0.10 0.00 0.00 34.13 29.73 2b0f s GLU 114 CO 0.04 -1.56 1.10 -0.39 0.02 0.00 0.00 175.26 174.47 2b0f h VAL 115 N 6.01 1.32 0.00 2.63 -1.51 -1.78 -3.48 116.25 119.44 2b0f h VAL 115 Ca -0.27 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 2b0f h VAL 115 Cb 1.07 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 2b0f h VAL 115 CO 1.11 0.71 0.00 0.61 -1.23 0.00 0.00 177.57 178.77 2b0f n GLY 116 N 1.29 1.13 3.55 5.19 0.00 -0.33 -4.78 105.19 111.24 2b0f n GLY 116 Ca -0.13 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2b0f n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b0f s PRO 117 N 0.00 2.14 -0.19 1.61 0.02 -1.22 -0.96 135.00 136.40 2b0f s PRO 117 Ca 0.00 1.41 -0.05 0.00 0.02 0.00 0.00 61.00 62.38 2b0f s PRO 117 Cb 0.00 -4.57 -0.03 0.00 0.02 0.00 0.00 34.50 29.92 2b0f s PRO 117 CO 0.00 -3.23 0.00 0.14 -0.33 0.00 0.00 177.00 173.58 2b0f s VAL 118 N 12.00 4.04 -0.00 3.83 -7.23 -0.20 -3.45 120.40 129.39 2b0f s VAL 118 Ca 0.97 -0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 60.82 2b0f s VAL 118 Cb -0.17 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 2b0f s VAL 118 CO 0.26 0.44 0.06 -0.89 -0.31 0.00 0.00 175.10 174.66 2b0f s THR 119 N 0.83 0.07 0.14 5.32 2.01 0.52 -4.38 115.64 120.16 2b0f s THR 119 Ca 0.01 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2b0f s THR 119 Cb -0.14 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 2b0f s THR 119 CO 0.02 -0.30 1.03 0.00 -0.69 0.00 0.00 174.62 174.68 2b0f s MET 120 N -0.96 4.65 -0.06 4.92 0.23 -1.26 0.15 119.30 126.98 2b0f s MET 120 Ca -0.10 1.58 0.05 0.00 -1.03 0.00 0.00 55.69 56.18 2b0f s MET 120 Cb -0.06 -3.33 -0.24 0.00 -1.53 0.00 0.00 34.83 29.67 2b0f s MET 120 CO 0.00 0.15 0.59 0.00 -2.03 0.00 0.00 175.02 173.73 2b0f h ALA 121 N 5.34 0.62 0.00 3.16 0.00 -0.82 -3.45 119.26 124.11 2b0f h ALA 121 Ca -0.44 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.07 2b0f h ALA 121 Cb 1.21 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2b0f h ALA 121 CO 0.72 1.46 0.00 0.41 0.00 0.00 0.00 179.25 181.84 2b0f n GLY 122 N 1.71 0.72 3.15 0.00 0.00 -1.20 -4.91 105.19 104.65 2b0f n GLY 122 Ca -0.22 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 4.25 0.00 0.99 2.96 -1.26 -0.83 118.68 124.79 2b0f s LEU 123 Ca 0.00 -1.51 0.01 0.00 -0.22 0.00 0.00 54.13 52.40 2b0f s LEU 123 Cb 0.00 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2b0f s LEU 123 CO 0.00 -0.33 0.02 2.30 -1.32 0.00 0.00 176.35 177.02 2b0f n ILE 124 N 4.58 0.00 -3.76 6.68 -5.35 -1.07 -4.95 119.36 115.49 2b0f n ILE 124 Ca -0.09 -0.70 -0.36 0.00 -0.27 0.00 0.00 62.75 61.33 2b0f n ILE 124 Cb 0.43 0.19 -0.11 0.00 -1.74 0.00 0.00 39.64 38.41 2b0f n ILE 124 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2b0f s ASN 125 N -1.78 5.21 -0.55 7.28 -0.87 -1.26 -1.13 114.94 121.84 2b0f s ASN 125 Ca 0.03 -2.44 -0.27 0.00 -1.57 0.00 0.00 52.86 48.61 2b0f s ASN 125 Cb 0.00 -1.83 0.03 0.00 -0.02 0.00 0.00 41.25 39.43 2b0f s ASN 125 CO 0.02 -0.45 1.12 -0.22 -2.57 0.00 0.00 177.10 174.99 2b0f s LEU 126 N 0.55 3.64 -1.51 0.60 2.96 0.79 -3.08 118.68 122.63 2b0f s LEU 126 Ca 0.12 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2b0f s LEU 126 Cb -0.22 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.32 2b0f s LEU 126 CO -0.04 -1.37 0.00 -1.20 -1.32 0.00 0.00 176.35 172.42 2b0f n SER 127 N 8.08 -4.84 0.00 3.68 7.64 -1.26 -0.82 113.62 126.10 2b0f n SER 127 Ca 0.07 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2b0f n SER 127 Cb 0.49 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2b0f n SER 128 N -0.86 0.00 -4.63 6.43 7.64 -1.18 -5.02 113.62 116.01 2b0f n SER 128 Ca -0.18 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 2b0f n SER 128 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.56 4.88 -0.05 0.44 2.01 -0.00 -4.87 115.64 115.49 2b0f s THR 129 Ca 0.00 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 2b0f s THR 129 Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 2b0f s THR 129 CO 0.00 -0.07 2.03 -2.65 -0.69 0.00 0.00 174.62 173.24 2b0f n PRO 130 N 5.93 2.54 -5.06 4.92 -0.02 -1.26 -0.15 135.00 141.91 2b0f n PRO 130 Ca 0.03 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 2b0f n PRO 130 Cb 0.48 -3.02 -0.16 0.00 -0.02 0.00 0.00 33.50 30.79 2b0f n PRO 130 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2b0f s THR 131 N 5.43 2.49 -0.08 3.45 -4.23 -0.28 -2.97 115.64 119.45 2b0f s THR 131 Ca 0.93 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2b0f s THR 131 Cb -0.45 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2b0f s THR 131 CO 0.42 0.56 0.20 0.21 -0.54 0.00 0.00 174.62 175.46 2b0f s ASN 132 N 0.05 6.46 -0.99 3.99 2.47 -0.88 -2.61 114.94 123.43 2b0f s ASN 132 Ca -0.08 0.54 -0.02 0.00 0.42 0.00 0.00 52.86 53.72 2b0f s ASN 132 Cb -0.15 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 2b0f s ASN 132 CO 0.05 0.37 0.84 0.54 -3.72 0.00 0.00 177.10 175.18 2b0f n ARG 133 N 1.77 -5.59 -2.80 0.43 1.74 -0.01 -4.74 116.66 107.45 2b0f n ARG 133 Ca -0.17 0.67 -0.41 0.00 -0.77 0.00 0.00 57.85 57.16 2b0f n ARG 133 Cb 0.54 -5.18 -0.04 0.00 -1.02 0.00 0.00 32.46 26.76 2b0f n ARG 133 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2b0f s MET 134 N -5.36 4.54 -0.02 5.56 1.75 -0.83 -2.00 119.30 122.93 2b0f s MET 134 Ca 0.14 1.28 -0.20 0.00 -1.25 0.00 0.00 55.69 55.66 2b0f s MET 134 Cb -0.06 -3.45 -0.05 0.00 2.84 0.00 0.00 34.83 34.11 2b0f s MET 134 CO 0.58 0.00 0.57 0.42 -0.65 0.00 0.00 175.02 175.95 2b0f s ILE 135 N 0.86 4.95 -0.15 10.11 1.01 0.47 -0.09 121.20 138.38 2b0f s ILE 135 Ca 0.48 1.19 -0.03 0.00 0.00 0.00 0.00 60.65 62.28 2b0f s ILE 135 Cb -0.20 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2b0f s ILE 135 CO 0.26 0.41 -0.04 -0.60 0.00 0.00 0.00 174.94 174.97 2b0f s ARG 136 N -0.12 3.61 -0.03 2.79 3.52 0.40 -0.96 118.95 128.17 2b0f s ARG 136 Ca 0.30 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2b0f s ARG 136 Cb -0.18 -2.89 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2b0f s ARG 136 CO 0.16 0.27 0.03 1.52 -0.81 0.00 0.00 175.30 176.47 2b0f s TYR 137 N 0.27 0.14 -0.34 5.12 1.13 -0.72 -0.35 117.35 122.61 2b0f s TYR 137 Ca -0.03 0.10 -0.29 0.00 -1.41 0.00 0.00 57.07 55.45 2b0f s TYR 137 Cb -0.14 -0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 2b0f s TYR 137 CO 0.03 -0.13 1.64 -0.51 -2.51 0.00 0.00 175.55 174.07 2b0f s ASP 138 N 1.29 6.11 -0.30 -0.18 1.11 -1.22 0.20 116.67 123.68 2b0f s ASP 138 Ca -0.06 1.18 -0.18 0.00 0.18 0.00 0.00 52.55 53.67 2b0f s ASP 138 Cb -0.13 -2.53 0.21 0.00 1.07 0.00 0.00 42.92 41.54 2b0f s ASP 138 CO -0.03 -1.55 1.33 -0.47 1.18 0.00 0.00 175.17 175.63 2b0f s TYR 139 N 6.15 -0.01 -0.33 4.23 5.04 0.19 -4.85 117.35 127.76 2b0f s TYR 139 Ca 0.72 0.03 -0.27 0.00 -2.44 0.00 0.00 57.07 55.11 2b0f s TYR 139 Cb -0.20 0.11 -0.05 0.00 0.35 0.00 0.00 41.96 42.17 2b0f s TYR 139 CO 0.33 -0.01 2.21 0.00 -1.34 0.00 0.00 175.55 176.74 2b0f s ALA 140 N 0.80 2.40 -0.06 3.97 0.00 -1.25 -3.41 121.76 124.21 2b0f s ALA 140 Ca -0.05 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2b0f s ALA 140 Cb -0.03 -4.16 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 2b0f s ALA 140 CO -0.11 -3.32 -0.11 0.95 0.00 0.00 0.00 175.76 173.18 2b0f s THR 141 N 9.33 3.37 0.10 0.00 -4.23 -0.18 -4.99 115.64 119.04 2b0f s THR 141 Ca 0.96 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 2b0f s THR 141 Cb -0.26 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2b0f s THR 141 CO 0.32 0.59 -0.14 -0.54 -0.54 0.00 0.00 174.62 174.31 2b0f s LYS 142 N -0.80 0.91 0.69 3.99 -0.14 -1.26 -4.30 119.74 118.83 2b0f s LYS 142 Ca 0.12 -1.10 -0.17 0.00 -1.36 0.00 0.00 55.97 53.46 2b0f s LYS 142 Cb -0.11 -0.82 -0.13 0.00 -1.68 0.00 0.00 37.83 35.09 2b0f s LYS 142 CO 0.01 0.17 -0.20 2.41 -0.76 0.00 0.00 175.35 176.98 2b0f n THR 143 N 0.88 0.34 0.00 2.17 -1.04 -1.26 -2.23 114.28 113.14 2b0f n THR 143 Ca -0.18 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2b0f n THR 143 Cb 0.56 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 2.63 2.92 0.37 3.41 0.00 -1.26 -4.82 105.19 108.44 2b0f n GLY 144 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 1.06 -3.00 1.61 1.13 -0.95 -3.16 117.38 112.07 2b0f n GLN 145 Ca 0.00 -0.75 -0.32 0.00 -1.94 0.00 0.00 57.00 54.00 2b0f n GLN 145 Cb 0.00 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.82 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 -0.75 3.03 3.60 0.00 0.00 0.28 -4.43 105.19 106.92 2b0f n GLY 147 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.27 -0.37 3.68 -0.02 0.00 -1.20 -4.28 105.19 101.73 2b0f n GLY 148 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.42 5.21 -0.46 1.61 1.01 0.18 0.19 120.40 126.71 2b0f s VAL 149 Ca 0.69 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.15 2b0f s VAL 149 Cb -0.48 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2b0f s VAL 149 CO 0.53 0.27 0.70 -0.22 0.00 0.00 0.00 175.10 176.38 2b0f s LEU 150 N 1.19 4.46 0.00 3.92 2.96 0.79 -1.02 118.68 130.99 2b0f s LEU 150 Ca 0.19 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2b0f s LEU 150 Cb -0.15 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 2b0f s LEU 150 CO 0.08 -0.87 0.42 0.00 -1.32 0.00 0.00 176.35 174.65 2b0f n ALA 152 N -0.69 -0.25 -1.91 0.00 0.00 0.99 -0.25 120.51 118.40 2b0f n ALA 152 Ca -0.13 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.51 2b0f n ALA 152 Cb 0.60 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 2b0f n ALA 152 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b0f s THR 153 N -2.63 3.28 -0.00 0.00 -1.32 -1.26 -2.40 115.64 111.31 2b0f s THR 153 Ca 0.07 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2b0f s THR 153 Cb -0.01 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 2b0f s THR 153 CO 0.05 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 2b0f n GLY 154 N 5.73 0.48 2.89 6.08 0.00 -1.26 -5.03 105.19 114.08 2b0f n GLY 154 Ca 0.25 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2b0f n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f s LYS 155 N -0.38 0.02 -0.16 1.61 1.02 -1.01 -4.56 119.74 116.28 2b0f s LYS 155 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.01 2b0f s LYS 155 Cb 0.00 0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 2b0f s LYS 155 CO 0.00 -0.00 -0.17 0.42 -0.92 0.00 0.00 175.35 174.67 2b0f s ILE 156 N -0.00 2.40 -0.18 2.17 1.01 0.12 -0.00 121.20 126.72 2b0f s ILE 156 Ca -0.00 -0.85 0.14 0.00 0.00 0.00 0.00 60.65 59.94 2b0f s ILE 156 Cb -0.00 -2.01 -0.24 0.00 0.01 0.00 0.00 42.46 40.23 2b0f s ILE 156 CO 0.00 0.52 0.15 0.49 0.00 0.00 0.00 174.94 176.10 2b0f n PHE 157 N 4.26 0.24 -3.62 3.97 3.72 0.10 -2.71 117.46 123.42 2b0f n PHE 157 Ca -0.20 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2b0f n PHE 157 Cb 0.51 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 2b0f n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b0f n GLY 158 N 1.80 -0.77 3.18 1.37 0.00 -1.05 -0.83 105.19 108.89 2b0f n GLY 158 Ca -0.32 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.00 1.35 -0.15 -0.61 -4.36 -1.16 -0.15 121.20 113.12 2b0f s ILE 159 Ca 0.00 -1.01 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 2b0f s ILE 159 Cb 0.00 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 2b0f s ILE 159 CO 0.00 0.15 1.99 -2.28 0.24 0.00 0.00 174.94 175.04 2b0f s HIS 160 N -0.73 1.44 -0.18 1.37 5.65 0.49 -1.82 115.29 121.51 2b0f s HIS 160 Ca 0.05 0.24 0.11 0.00 0.25 0.00 0.00 55.06 55.71 2b0f s HIS 160 Cb -0.08 -4.05 -0.18 0.00 -1.18 0.00 0.00 32.58 27.09 2b0f s HIS 160 CO 0.01 -4.22 -0.02 0.28 -0.65 0.00 0.00 174.74 170.15 2b0f n VAL 161 N 6.78 1.17 -1.12 0.89 0.31 -0.92 0.10 118.33 125.54 2b0f n VAL 161 Ca 0.24 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2b0f n VAL 161 Cb 0.44 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b0f n GLY 162 N 2.13 2.03 0.00 2.92 0.00 0.21 -4.78 105.19 107.71 2b0f n GLY 162 Ca -0.30 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2b0f n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 163 N 0.00 0.99 2.63 -0.02 0.00 -1.26 -0.64 105.19 106.89 2b0f n GLY 163 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2b0f n GLY 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b0f s ASN 164 N 0.00 3.41 1.15 1.61 2.47 0.19 -4.81 114.94 118.96 2b0f s ASN 164 Ca 0.00 -2.51 0.00 0.00 0.42 0.00 0.00 52.86 50.77 2b0f s ASN 164 Cb 0.00 -0.83 0.00 0.00 -1.45 0.00 0.00 41.25 38.97 2b0f s ASN 164 CO 0.00 -0.28 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 2b0f n GLY 165 N 3.67 0.63 0.83 1.21 0.00 -1.26 -1.89 105.19 108.39 2b0f n GLY 165 Ca 0.10 0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.77 2b0f n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f n ARG 166 N 0.00 2.09 -3.82 1.61 1.74 -1.26 -1.01 116.66 116.00 2b0f n ARG 166 Ca 0.00 -1.64 -0.27 0.00 -0.77 0.00 0.00 57.85 55.17 2b0f n ARG 166 Cb 0.00 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 29.83 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b0f s GLN 167 N -1.66 1.04 0.52 5.56 -0.21 -0.79 0.54 119.66 124.66 2b0f s GLN 167 Ca 0.35 -0.36 -0.18 0.00 0.02 0.00 0.00 55.36 55.19 2b0f s GLN 167 Cb 0.20 -1.82 -0.07 0.00 1.00 0.00 0.00 33.01 32.31 2b0f s GLN 167 CO 0.28 -0.46 1.00 0.20 -2.12 0.00 0.00 175.29 174.19 2b0f s GLY 168 N 1.77 2.18 -0.14 3.09 0.00 0.13 0.57 107.32 114.92 2b0f s GLY 168 Ca 0.01 0.31 -0.00 0.00 0.00 0.00 0.00 44.72 45.04 2b0f s GLY 168 CO -0.07 0.61 -0.07 -1.36 0.00 0.00 0.00 173.10 172.20 2b0f s PHE 169 N -2.44 1.61 0.26 1.90 0.08 0.19 -1.75 117.98 117.83 2b0f s PHE 169 Ca 0.61 -0.91 0.09 0.00 0.12 0.00 0.00 56.93 56.85 2b0f s PHE 169 Cb -0.12 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 2b0f s PHE 169 CO 0.28 -0.56 0.03 0.45 -0.10 0.00 0.00 175.22 175.32 2b0f s SER 170 N 1.66 4.73 -0.16 1.36 0.15 -0.13 -0.62 113.70 120.69 2b0f s SER 170 Ca 0.03 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 56.00 2b0f s SER 170 Cb -0.14 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.17 2b0f s SER 170 CO -0.08 -0.00 0.22 0.00 1.20 0.00 0.00 173.24 174.58 2b0f s ALA 171 N -2.27 3.66 -0.48 5.45 0.00 -0.76 0.18 121.76 127.54 2b0f s ALA 171 Ca 0.32 -0.55 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2b0f s ALA 171 Cb -0.07 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 2b0f s ALA 171 CO 0.21 0.19 1.84 -1.14 0.00 0.00 0.00 175.76 176.85 2b0f s GLN 172 N 0.20 2.94 -0.94 0.00 0.74 -0.85 -3.01 119.66 118.75 2b0f s GLN 172 Ca 0.13 0.99 -0.24 0.00 0.05 0.00 0.00 55.36 56.30 2b0f s GLN 172 Cb -0.12 -4.30 0.05 0.00 1.10 0.00 0.00 33.01 29.73 2b0f s GLN 172 CO 0.02 -2.35 1.40 -1.17 -0.55 0.00 0.00 175.29 172.64 2b0f s LEU 173 N 8.16 3.43 -0.25 3.68 2.96 -0.01 -4.96 118.68 131.69 2b0f s LEU 173 Ca 0.73 -1.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 2b0f s LEU 173 Cb -0.17 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 2b0f s LEU 173 CO 0.27 -1.60 0.71 -0.54 -1.32 0.00 0.00 176.35 173.88 2b0f s LYS 174 N 5.16 4.14 0.50 1.98 1.02 -1.25 -4.12 119.74 127.17 2b0f s LYS 174 Ca 0.43 0.71 0.25 0.00 0.02 0.00 0.00 55.97 57.37 2b0f s LYS 174 Cb -0.02 -3.65 1.33 0.00 -0.52 0.00 0.00 37.83 34.97 2b0f s LYS 174 CO -0.03 -0.46 1.94 -0.22 -0.92 0.00 0.00 175.35 175.66 2b0f h LYS 175 N 7.81 0.10 0.00 1.68 3.64 -1.70 -1.83 116.57 126.27 2b0f h LYS 175 Ca -0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2b0f h LYS 175 Cb 1.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2b0f h LYS 175 CO 0.82 0.07 0.00 -0.56 -2.27 0.00 0.00 179.45 177.50 2b0f h GLN 176 N 0.11 0.00 0.00 1.90 3.07 -1.90 0.31 115.11 118.60 2b0f h GLN 176 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.08 2b0f h GLN 176 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2b0f h GLN 176 CO -0.04 0.00 -0.51 0.66 0.09 0.00 0.00 178.83 179.03 2b0f n TYR 177 N -2.72 0.59 -0.08 0.06 4.01 -0.69 -3.43 117.16 114.90 2b0f n TYR 177 Ca -0.02 0.17 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 2b0f n TYR 177 Cb 0.07 -0.69 -0.12 0.00 -0.31 0.00 0.00 39.34 38.29 2b0f n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2b0f n PHE 178 N -2.11 0.00 1.59 -0.72 3.72 0.82 -4.31 117.46 116.46 2b0f n PHE 178 Ca 0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.59 2b0f n PHE 178 Cb 0.43 -0.75 0.72 0.00 -0.94 0.00 0.00 39.48 38.95 2b0f n PHE 178 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2b0f n VAL 179 N -2.61 0.00 0.17 -4.37 3.14 0.28 -2.95 118.33 111.99 2b0f n VAL 179 Ca -0.26 -0.06 0.04 0.00 -2.96 0.00 0.00 64.34 61.11 2b0f n VAL 179 Cb 0.98 -0.20 0.21 0.00 -1.06 0.00 0.00 33.84 33.77 2b0f n VAL 179 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2b0f h GLU 180 N 0.54 0.00 -5.51 1.45 4.81 -1.74 -3.45 114.58 110.66 2b0f h GLU 180 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 2b0f h GLU 180 Cb 0.26 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.51 2b0f h GLU 180 CO 0.00 0.43 -0.60 -1.59 -0.73 0.00 0.00 179.01 176.52 2b0f s LYS 181 N -3.32 1.87 0.00 1.92 -2.85 -1.15 -5.12 119.74 111.09 2b0f s LYS 181 Ca 0.02 -2.06 0.23 0.00 -1.00 0.00 0.00 55.97 53.16 2b0f s LYS 181 Cb 0.09 -1.39 0.18 0.00 -2.06 0.00 0.00 37.83 34.65 2b0f s LYS 181 CO 0.71 -0.10 1.22 1.04 0.10 0.00 0.00 175.35 178.32