#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 0.87 -0.84 1.61 0.13 -2.05 -0.71 132.00 131.01 2b0f h PRO 2 Ca 0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2b0f h PRO 2 Cb 0.00 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 30.90 2b0f h PRO 2 CO 0.00 0.58 0.39 -0.97 -0.23 0.00 0.00 178.00 177.77 2b0f h ASN 3 N 0.90 1.12 -0.40 1.44 -0.73 -1.97 -0.36 115.58 115.57 2b0f h ASN 3 Ca 0.32 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 58.29 2b0f h ASN 3 Cb 0.14 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 2b0f h ASN 3 CO -0.10 0.95 0.03 0.74 -0.37 0.00 0.00 177.43 178.67 2b0f h THR 4 N 1.21 1.25 -0.54 -3.57 2.02 -1.68 -0.23 112.91 111.37 2b0f h THR 4 Ca 0.29 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 2b0f h THR 4 Cb 0.14 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2b0f h THR 4 CO -0.03 0.32 0.14 -0.33 0.37 0.00 0.00 175.52 175.99 2b0f h GLU 5 N 0.52 0.85 -0.28 6.66 4.39 -0.89 0.09 114.58 125.91 2b0f h GLU 5 Ca 0.12 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2b0f h GLU 5 Cb 0.43 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2b0f h GLU 5 CO 0.01 0.80 0.18 0.35 -1.16 0.00 0.00 179.01 179.20 2b0f h PHE 6 N 0.75 0.36 -0.89 4.33 3.57 -0.95 -2.60 116.94 121.52 2b0f h PHE 6 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2b0f h PHE 6 Cb 0.32 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2b0f h PHE 6 CO 0.02 0.23 0.48 0.00 -2.23 0.00 0.00 178.31 176.81 2b0f h ALA 7 N 1.10 1.17 -0.13 2.41 0.00 -0.79 -0.38 119.26 122.64 2b0f h ALA 7 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b0f h ALA 7 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2b0f h ALA 7 CO -0.02 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.22 2b0f h LEU 8 N 1.24 0.16 -0.40 0.00 5.85 -0.69 0.36 115.31 121.83 2b0f h LEU 8 Ca 0.31 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 2b0f h LEU 8 Cb 0.04 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2b0f h LEU 8 CO -0.05 0.17 -0.49 0.77 -0.34 0.00 0.00 178.44 178.50 2b0f h SER 9 N 0.13 0.88 -0.70 1.25 4.64 -1.38 -2.79 113.55 115.59 2b0f h SER 9 Ca 0.05 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2b0f h SER 9 Cb 0.04 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2b0f h SER 9 CO -0.01 1.22 0.45 0.25 -0.87 0.00 0.00 176.83 177.87 2b0f h LEU 10 N 0.63 0.82 0.15 5.97 5.85 -0.86 -2.77 115.31 125.11 2b0f h LEU 10 Ca 0.03 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2b0f h LEU 10 Cb 1.07 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2b0f h LEU 10 CO 0.11 0.62 -0.07 0.25 -0.34 0.00 0.00 178.44 179.00 2b0f h LEU 11 N 0.95 -0.17 -1.32 2.25 6.46 -0.19 0.21 115.31 123.50 2b0f h LEU 11 Ca 0.25 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.94 2b0f h LEU 11 Cb -0.07 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2b0f h LEU 11 CO -0.05 -0.10 -0.33 0.03 -0.62 0.00 0.00 178.44 177.36 2b0f h ARG 12 N -0.21 0.00 0.00 1.25 3.08 -1.44 0.10 114.38 117.16 2b0f h ARG 12 Ca -0.02 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.80 2b0f h ARG 12 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2b0f h ARG 12 CO 0.03 0.33 -2.23 1.63 -1.07 0.00 0.00 179.97 178.66 2b0f n LYS 13 N -3.97 0.68 0.00 0.04 4.76 -1.05 -4.71 118.16 113.91 2b0f n LYS 13 Ca -0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2b0f n LYS 13 Cb 0.39 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.57 1.00 -4.43 4.39 4.13 0.71 -4.57 115.26 113.91 2b0f n ASN 14 Ca -0.22 -0.31 -0.36 0.00 1.68 0.00 0.00 54.58 55.37 2b0f n ASN 14 Cb 0.94 0.82 -0.13 0.00 -1.54 0.00 0.00 39.78 39.87 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 -1.02 4.17 0.05 2.41 1.01 0.36 -0.15 121.20 128.01 2b0f s ILE 15 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.49 2b0f s ILE 15 Cb 0.00 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 2b0f s ILE 15 CO 0.00 0.36 -0.17 -0.04 0.00 0.00 0.00 174.94 175.09 2b0f s MET 16 N 1.48 1.14 -0.55 2.79 -1.94 -0.41 -4.53 119.30 117.29 2b0f s MET 16 Ca 0.06 -0.86 -0.28 0.00 -1.71 0.00 0.00 55.69 52.89 2b0f s MET 16 Cb -0.15 -1.21 0.01 0.00 2.01 0.00 0.00 34.83 35.50 2b0f s MET 16 CO 0.02 0.30 1.39 0.99 -0.01 0.00 0.00 175.02 177.72 2b0f s THR 17 N -0.85 3.82 -0.40 2.05 2.01 -1.26 -0.09 115.64 120.92 2b0f s THR 17 Ca 0.04 0.72 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 2b0f s THR 17 Cb -0.08 -4.44 0.01 0.00 0.01 0.00 0.00 72.50 68.00 2b0f s THR 17 CO 0.02 -1.14 0.48 -0.63 -0.69 0.00 0.00 174.62 172.65 2b0f s ILE 18 N 5.90 5.04 -0.36 1.82 -1.09 0.42 -0.99 121.20 131.94 2b0f s ILE 18 Ca 0.52 -0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.68 2b0f s ILE 18 Cb -0.11 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2b0f s ILE 18 CO 0.26 -0.36 0.61 -0.89 -1.23 0.00 0.00 174.94 173.33 2b0f s THR 19 N 2.29 4.91 0.00 2.92 2.01 -0.90 -0.41 115.64 126.46 2b0f s THR 19 Ca 0.15 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2b0f s THR 19 Cb -0.16 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2b0f s THR 19 CO 0.14 -0.31 0.00 0.35 -0.69 0.00 0.00 174.62 174.11 2b0f n THR 20 N 5.57 0.00 -0.07 -0.82 -2.24 0.18 -3.56 114.28 113.34 2b0f n THR 20 Ca -0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2b0f n THR 20 Cb 0.49 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 2b0f n THR 20 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2b0f h SER 21 N 0.00 0.82 1.68 3.42 0.02 -1.12 -3.14 113.55 115.22 2b0f h SER 21 Ca 0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2b0f h SER 21 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2b0f h SER 21 CO 0.00 1.12 -0.30 0.50 -1.14 0.00 0.00 176.83 177.01 2b0f h LYS 22 N 0.63 0.00 0.00 3.45 3.64 -1.61 -3.50 116.57 119.18 2b0f h LYS 22 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2b0f h LYS 22 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2b0f h LYS 22 CO 0.09 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.68 2b0f n GLY 23 N 1.13 -0.17 3.35 5.01 0.00 -1.19 -5.08 105.19 108.24 2b0f n GLY 23 Ca 0.03 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 2b0f n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2b0f s GLU 24 N -2.00 3.31 0.44 1.61 -1.05 -1.26 0.48 118.70 120.23 2b0f s GLU 24 Ca 0.00 -0.69 0.07 0.00 -0.15 0.00 0.00 54.97 54.20 2b0f s GLU 24 Cb 0.00 -3.22 -0.02 0.00 -0.44 0.00 0.00 34.13 30.45 2b0f s GLU 24 CO 0.00 -0.30 0.31 -0.06 0.95 0.00 0.00 175.26 176.17 2b0f s PHE 25 N 1.51 2.45 -0.48 4.83 0.40 0.45 -2.61 117.98 124.53 2b0f s PHE 25 Ca 0.04 -0.60 -0.24 0.00 -0.60 0.00 0.00 56.93 55.54 2b0f s PHE 25 Cb -0.16 -2.05 0.03 0.00 0.51 0.00 0.00 43.02 41.36 2b0f s PHE 25 CO 0.00 -0.09 0.87 0.99 0.70 0.00 0.00 175.22 177.69 2b0f s THR 26 N -2.58 4.53 -0.18 0.64 2.01 -0.91 -0.43 115.64 118.72 2b0f s THR 26 Ca 0.43 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2b0f s THR 26 Cb -0.01 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2b0f s THR 26 CO 0.25 -0.85 0.40 -0.83 -0.69 0.00 0.00 174.62 172.90 2b0f s GLY 27 N 2.36 2.16 -0.47 4.40 0.00 0.88 -4.38 107.32 112.27 2b0f s GLY 27 Ca 0.32 -0.44 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 2b0f s GLY 27 CO 0.23 0.76 0.38 -2.27 0.00 0.00 0.00 173.10 172.20 2b0f s LEU 28 N 1.07 5.59 -0.39 0.66 0.20 -1.17 -1.28 118.68 123.35 2b0f s LEU 28 Ca 0.20 -1.41 -0.29 0.00 0.69 0.00 0.00 54.13 53.33 2b0f s LEU 28 Cb -0.15 -2.15 0.01 0.00 -0.43 0.00 0.00 46.19 43.48 2b0f s LEU 28 CO 0.08 -0.65 1.38 -0.83 -0.29 0.00 0.00 176.35 176.04 2b0f s GLY 29 N 2.60 1.16 -0.07 7.98 0.00 0.79 -0.79 107.32 118.99 2b0f s GLY 29 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 2b0f s GLY 29 CO 0.05 2.71 0.45 -2.22 0.00 0.00 0.00 173.10 174.10 2b0f h ILE 30 N 6.35 0.23 -2.36 0.90 1.08 -1.55 -3.44 117.51 118.73 2b0f h ILE 30 Ca -0.27 -0.92 0.13 0.00 -0.39 0.00 0.00 64.86 63.41 2b0f h ILE 30 Cb 1.10 0.41 -0.12 0.00 -3.07 0.00 0.00 36.82 35.14 2b0f h ILE 30 CO 1.08 0.07 0.47 -1.38 -0.69 0.00 0.00 178.15 177.69 2b0f s HIS 31 N -2.65 -0.27 0.00 1.37 -3.43 -1.11 -1.51 115.29 107.70 2b0f s HIS 31 Ca -0.06 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 2b0f s HIS 31 Cb 0.00 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 2b0f s HIS 31 CO 0.22 -0.69 0.00 -0.25 -2.00 0.00 0.00 174.74 172.02 2b0f n ASP 32 N -0.35 0.00 -0.33 7.38 8.00 -1.12 -0.13 116.55 130.00 2b0f n ASP 32 Ca -0.08 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.47 2b0f n ASP 32 Cb 0.61 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.71 -4.24 -1.24 1.85 -1.26 -1.30 116.66 111.17 2b0f n ARG 33 Ca 0.00 -1.93 -0.34 0.00 -1.00 0.00 0.00 57.85 54.58 2b0f n ARG 33 Cb 0.00 -1.03 -0.14 0.00 -1.05 0.00 0.00 32.46 30.25 2b0f n ARG 33 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2b0f s VAL 34 N -1.57 3.40 -0.00 8.89 -7.23 0.81 -1.51 120.40 123.19 2b0f s VAL 34 Ca 0.19 -0.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2b0f s VAL 34 Cb 0.17 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2b0f s VAL 34 CO 0.01 0.46 -0.21 0.00 -0.31 0.00 0.00 175.10 175.05 2b0f s VAL 36 N -0.55 5.07 -0.07 0.00 -7.23 0.03 -0.07 120.40 117.58 2b0f s VAL 36 Ca 0.08 0.93 0.05 0.00 -1.81 0.00 0.00 61.98 61.23 2b0f s VAL 36 Cb -0.08 -3.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 2b0f s VAL 36 CO -0.00 0.11 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.05 2b0f s ILE 37 N 2.08 1.84 0.32 -0.62 -1.09 -0.05 -3.05 121.20 120.63 2b0f s ILE 37 Ca 0.23 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.43 2b0f s ILE 37 Cb -0.16 -1.57 -0.13 0.00 -1.58 0.00 0.00 42.46 39.02 2b0f s ILE 37 CO 0.09 0.51 1.28 -0.81 -1.23 0.00 0.00 174.94 174.78 2b0f n PRO 38 N 3.20 2.02 -0.05 2.79 -0.04 -1.26 -0.55 135.00 141.11 2b0f n PRO 38 Ca -0.18 0.71 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 2b0f n PRO 38 Cb 0.52 -2.28 0.26 0.00 -0.04 0.00 0.00 33.50 31.97 2b0f n PRO 38 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2b0f h THR 39 N 2.57 1.21 0.00 0.52 2.02 -1.78 -1.97 112.91 115.48 2b0f h THR 39 Ca -0.45 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2b0f h THR 39 Cb 1.29 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2b0f h THR 39 CO 0.65 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.82 2b0f n HIS 40 N -4.28 0.00 0.16 3.16 1.44 -1.26 -1.93 115.22 112.50 2b0f n HIS 40 Ca 0.02 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.75 2b0f n HIS 40 Cb 0.24 -0.18 0.25 0.00 0.12 0.00 0.00 29.99 30.42 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 2.77 1.02 -5.06 1.59 0.00 -1.71 -3.43 119.26 114.44 2b0f h ALA 41 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2b0f h ALA 41 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b0f h ALA 41 CO 0.00 0.64 -0.06 1.04 0.00 0.00 0.00 179.25 180.87 2b0f n GLN 42 N -3.74 -1.28 -2.53 0.00 1.13 -0.81 -1.83 117.38 108.31 2b0f n GLN 42 Ca -0.01 1.45 -0.39 0.00 -1.94 0.00 0.00 57.00 56.12 2b0f n GLN 42 Cb 0.56 -5.22 -0.04 0.00 0.11 0.00 0.00 30.24 25.64 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 -2.92 4.45 0.00 -1.09 0.02 -1.26 -2.39 135.00 131.81 2b0f s PRO 43 Ca 0.03 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.69 2b0f s PRO 43 Cb -0.01 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2b0f s PRO 43 CO 0.66 0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.82 2b0f n GLY 44 N 0.83 1.59 0.14 0.52 0.00 -1.26 -4.99 105.19 102.02 2b0f n GLY 44 Ca 0.02 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.18 2b0f n GLY 44 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b0f h ASP 45 N 0.00 0.00 -3.25 1.61 3.58 -1.97 -3.44 116.42 112.96 2b0f h ASP 45 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2b0f h ASP 45 Cb 0.00 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.67 2b0f h ASP 45 CO 0.00 0.19 -0.79 -0.62 -2.88 0.00 0.00 179.24 175.14 2b0f s ASP 46 N -5.87 2.40 0.06 2.28 -1.08 -1.26 0.58 116.67 113.78 2b0f s ASP 46 Ca 0.02 -0.44 0.09 0.00 -0.52 0.00 0.00 52.55 51.70 2b0f s ASP 46 Cb 0.08 -0.81 -0.03 0.00 -1.46 0.00 0.00 42.92 40.70 2b0f s ASP 46 CO 0.75 -0.16 -0.26 -0.69 0.52 0.00 0.00 175.17 175.33 2b0f s VAL 47 N 1.72 2.10 -0.61 1.11 1.01 -0.27 -4.97 120.40 120.49 2b0f s VAL 47 Ca 0.03 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.34 2b0f s VAL 47 Cb -0.14 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2b0f s VAL 47 CO -0.08 0.30 1.02 -0.76 0.00 0.00 0.00 175.10 175.59 2b0f s LEU 48 N -1.36 3.98 -0.84 3.92 1.43 -1.23 -1.79 118.68 122.79 2b0f s LEU 48 Ca 0.12 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 2b0f s LEU 48 Cb -0.10 -2.72 0.18 0.00 0.03 0.00 0.00 46.19 43.59 2b0f s LEU 48 CO 0.03 -1.40 0.88 0.54 0.23 0.00 0.00 176.35 176.62 2b0f s VAL 49 N 4.34 5.27 -1.08 -1.59 0.11 0.16 -2.11 120.40 125.50 2b0f s VAL 49 Ca 0.30 -2.07 -0.06 0.00 -2.93 0.00 0.00 61.98 57.22 2b0f s VAL 49 Cb -0.13 -4.57 -0.05 0.00 -1.53 0.00 0.00 36.38 30.10 2b0f s VAL 49 CO 0.17 -1.19 0.92 -3.20 -3.33 0.00 0.00 175.10 168.47 2b0f n ASN 50 N 4.98 -5.77 0.00 3.54 5.15 -0.16 -2.84 115.26 120.16 2b0f n ASN 50 Ca 0.15 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 2b0f n ASN 50 Cb 0.47 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.69 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b0f n GLY 51 N -1.26 1.96 3.79 8.20 0.00 -1.26 -4.97 105.19 111.64 2b0f n GLY 51 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.48 -0.17 1.61 -0.44 -1.13 -4.99 119.66 119.03 2b0f s GLN 52 Ca 0.00 1.12 -0.17 0.00 -2.50 0.00 0.00 55.36 53.81 2b0f s GLN 52 Cb 0.00 -3.04 -0.04 0.00 -1.64 0.00 0.00 33.01 28.29 2b0f s GLN 52 CO 0.00 0.45 0.44 0.15 0.50 0.00 0.00 175.29 176.83 2b0f s LYS 53 N -1.61 4.25 -0.02 1.67 1.02 -1.26 0.39 119.74 124.17 2b0f s LYS 53 Ca 0.41 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.74 2b0f s LYS 53 Cb -0.20 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 33.63 2b0f s LYS 53 CO 0.24 0.05 -0.02 0.42 -0.92 0.00 0.00 175.35 175.12 2b0f s ILE 54 N 1.02 0.23 0.08 2.17 -1.09 -0.74 -4.96 121.20 117.92 2b0f s ILE 54 Ca 0.22 -0.01 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 2b0f s ILE 54 Cb -0.15 -0.28 -0.06 0.00 -1.58 0.00 0.00 42.46 40.39 2b0f s ILE 54 CO 0.09 0.13 0.49 -0.13 -1.23 0.00 0.00 174.94 174.28 2b0f s ARG 55 N 0.62 3.98 0.22 2.79 0.52 -1.26 -1.11 118.95 124.70 2b0f s ARG 55 Ca -0.06 0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 2b0f s ARG 55 Cb -0.09 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 2b0f s ARG 55 CO -0.01 0.59 1.23 0.08 0.02 0.00 0.00 175.30 177.20 2b0f s VAL 56 N -1.27 3.36 -0.12 3.52 1.01 0.20 -1.19 120.40 125.90 2b0f s VAL 56 Ca 0.31 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 2b0f s VAL 56 Cb -0.16 -3.76 -0.26 0.00 0.00 0.00 0.00 36.38 32.20 2b0f s VAL 56 CO 0.17 0.21 0.42 0.50 0.00 0.00 0.00 175.10 176.40 2b0f h LYS 57 N 4.85 0.23 -1.40 2.72 1.63 -0.14 -3.43 116.57 121.02 2b0f h LYS 57 Ca -0.45 -0.39 0.13 0.00 -0.85 0.00 0.00 60.65 59.09 2b0f h LYS 57 Cb 1.21 0.14 -0.29 0.00 -0.60 0.00 0.00 32.23 32.70 2b0f h LYS 57 CO 0.73 1.19 0.51 0.34 -3.45 0.00 0.00 179.45 178.77 2b0f s ASP 58 N -7.04 -0.36 -0.21 4.20 2.15 0.21 -5.01 116.67 110.62 2b0f s ASP 58 Ca -0.22 0.60 -0.02 0.00 0.43 0.00 0.00 52.55 53.34 2b0f s ASP 58 Cb 0.06 1.03 0.01 0.00 -0.30 0.00 0.00 42.92 43.72 2b0f s ASP 58 CO 0.75 -0.10 -0.10 -1.59 -0.17 0.00 0.00 175.17 173.95 2b0f s LYS 59 N 1.01 3.16 -0.13 4.34 -2.85 -1.26 -0.59 119.74 123.42 2b0f s LYS 59 Ca -0.06 -0.75 0.03 0.00 -1.00 0.00 0.00 55.97 54.19 2b0f s LYS 59 Cb -0.04 -2.84 0.01 0.00 -2.06 0.00 0.00 37.83 32.90 2b0f s LYS 59 CO -0.13 -0.23 -0.22 -0.47 0.10 0.00 0.00 175.35 174.41 2b0f s TYR 60 N 1.39 2.58 -0.03 1.78 5.04 -0.73 -4.93 117.35 122.43 2b0f s TYR 60 Ca 0.05 -1.23 -0.30 0.00 -2.44 0.00 0.00 57.07 53.15 2b0f s TYR 60 Cb -0.14 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.39 2b0f s TYR 60 CO -0.07 -0.55 1.01 0.15 -1.34 0.00 0.00 175.55 174.75 2b0f s LYS 61 N 0.69 4.50 -0.19 4.97 1.02 -1.26 0.74 119.74 130.21 2b0f s LYS 61 Ca -0.10 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.18 2b0f s LYS 61 Cb -0.16 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2b0f s LYS 61 CO 0.01 -0.16 0.33 -0.51 -0.92 0.00 0.00 175.35 174.10 2b0f s LEU 62 N 1.39 4.19 0.19 3.17 1.43 0.37 -4.93 118.68 124.49 2b0f s LEU 62 Ca 0.51 0.48 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2b0f s LEU 62 Cb -0.21 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2b0f s LEU 62 CO 0.24 0.01 -0.19 0.68 0.23 0.00 0.00 176.35 177.32 2b0f s VAL 63 N 0.94 2.01 0.34 -1.59 -7.23 -1.26 -2.41 120.40 111.19 2b0f s VAL 63 Ca 0.17 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.03 2b0f s VAL 63 Cb -0.14 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2b0f s VAL 63 CO 0.06 -0.32 1.13 -0.62 -0.31 0.00 0.00 175.10 175.04 2b0f s ASP 64 N -2.85 6.93 0.01 4.85 2.15 0.18 -4.74 116.67 123.20 2b0f s ASP 64 Ca 0.19 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.47 2b0f s ASP 64 Cb -0.06 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.97 2b0f s ASP 64 CO 0.08 -0.39 0.72 -2.65 -0.17 0.00 0.00 175.17 172.76 2b0f n PRO 65 N 0.62 0.00 0.00 4.34 -0.02 -1.26 0.19 135.00 138.87 2b0f n PRO 65 Ca 0.02 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 2b0f n PRO 65 Cb 0.46 -1.82 0.71 0.00 -0.02 0.00 0.00 33.50 32.84 2b0f n PRO 65 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2b0f n GLU 66 N -1.23 0.58 -1.09 -0.52 4.07 -1.26 -4.84 120.64 116.33 2b0f n GLU 66 Ca -0.00 0.02 -0.03 0.00 -0.06 0.00 0.00 57.16 57.09 2b0f n GLU 66 Cb 0.31 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.17 2b0f n GLU 66 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2b0f n ASN 67 N -1.16 -3.61 -4.80 4.31 4.13 0.49 -5.03 115.26 109.59 2b0f n ASN 67 Ca 0.16 0.08 -0.32 0.00 1.68 0.00 0.00 54.58 56.18 2b0f n ASN 67 Cb 0.16 -1.40 -0.06 0.00 -1.54 0.00 0.00 39.78 36.94 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2b0f s ILE 68 N -2.04 4.73 0.31 2.41 1.01 -1.16 -4.91 121.20 121.54 2b0f s ILE 68 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2b0f s ILE 68 Cb 0.00 -3.22 -0.11 0.00 0.01 0.00 0.00 42.46 39.13 2b0f s ILE 68 CO 0.00 0.24 1.59 -3.20 0.00 0.00 0.00 174.94 173.57 2b0f n ASN 69 N 0.80 3.91 -0.03 3.58 5.15 -1.25 0.51 115.26 127.92 2b0f n ASN 69 Ca -0.10 1.16 0.05 0.00 -0.60 0.00 0.00 54.58 55.09 2b0f n ASN 69 Cb 0.52 -1.61 -0.16 0.00 -0.53 0.00 0.00 39.78 38.00 2b0f n ASN 69 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2b0f n LEU 70 N 1.88 0.02 -0.15 1.20 -0.00 -1.01 -0.23 117.00 118.70 2b0f n LEU 70 Ca 0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 56.01 56.07 2b0f n LEU 70 Cb 0.37 0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 43.92 2b0f n LEU 70 CO 0.64 0.14 -0.02 1.21 -0.00 0.00 0.00 177.39 179.36 2b0f n GLU 71 N -2.41 -0.32 -3.46 1.96 4.07 -1.09 -4.85 120.64 114.54 2b0f n GLU 71 Ca -0.12 0.36 -0.41 0.00 -0.06 0.00 0.00 57.16 56.93 2b0f n GLU 71 Cb 0.73 -3.83 -0.10 0.00 -0.06 0.00 0.00 31.44 28.18 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 -0.44 4.61 -0.41 4.31 1.43 -1.20 -2.14 118.68 124.85 2b0f s LEU 72 Ca 0.00 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2b0f s LEU 72 Cb 0.00 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2b0f s LEU 72 CO 0.00 -0.33 0.56 -0.89 0.23 0.00 0.00 176.35 175.92 2b0f s THR 73 N 1.85 4.94 -0.71 5.49 2.01 0.29 0.14 115.64 129.64 2b0f s THR 73 Ca 0.08 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 2b0f s THR 73 Cb -0.17 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.26 2b0f s THR 73 CO 0.11 -0.44 1.39 -0.69 -0.69 0.00 0.00 174.62 174.30 2b0f s VAL 74 N 2.53 3.65 -0.87 3.82 1.01 0.23 -0.87 120.40 129.90 2b0f s VAL 74 Ca 0.19 0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.31 2b0f s VAL 74 Cb -0.15 -4.73 0.06 0.00 0.00 0.00 0.00 36.38 31.56 2b0f s VAL 74 CO 0.16 -1.67 1.26 -0.22 0.00 0.00 0.00 175.10 174.62 2b0f s LEU 75 N 6.38 3.87 -0.55 3.92 2.96 0.90 -1.78 118.68 134.38 2b0f s LEU 75 Ca 0.41 -1.23 -0.25 0.00 -0.22 0.00 0.00 54.13 52.85 2b0f s LEU 75 Cb -0.09 -2.51 0.04 0.00 0.50 0.00 0.00 46.19 44.13 2b0f s LEU 75 CO 0.16 -1.50 0.98 -0.89 -1.32 0.00 0.00 176.35 173.78 2b0f s THR 76 N 4.56 4.34 0.14 3.68 2.01 0.24 -2.05 115.64 128.55 2b0f s THR 76 Ca 0.36 0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.80 2b0f s THR 76 Cb -0.06 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2b0f s THR 76 CO 0.00 -1.14 0.04 -1.48 -0.69 0.00 0.00 174.62 171.35 2b0f s LEU 77 N 4.09 3.53 -0.85 4.42 0.05 -0.57 0.57 118.68 129.92 2b0f s LEU 77 Ca 0.32 -0.22 -0.23 0.00 0.05 0.00 0.00 54.13 54.05 2b0f s LEU 77 Cb -0.12 -2.20 0.07 0.00 -2.05 0.00 0.00 46.19 41.89 2b0f s LEU 77 CO 0.20 0.12 1.21 -0.62 -0.55 0.00 0.00 176.35 176.71 2b0f s ASP 78 N -2.75 6.38 -0.08 1.48 -1.08 -0.34 -4.65 116.67 115.64 2b0f s ASP 78 Ca 0.28 -1.28 -0.04 0.00 -0.52 0.00 0.00 52.55 50.99 2b0f s ASP 78 Cb -0.10 -2.48 0.04 0.00 -1.46 0.00 0.00 42.92 38.91 2b0f s ASP 78 CO 0.20 -1.44 0.18 -0.60 0.52 0.00 0.00 175.17 174.02 2b0f s ARG 79 N 4.30 0.11 0.27 4.34 3.52 -1.26 -4.51 118.95 125.72 2b0f s ARG 79 Ca 0.34 0.45 0.20 0.00 -0.13 0.00 0.00 55.73 56.60 2b0f s ARG 79 Cb -0.07 -0.17 0.10 0.00 -1.56 0.00 0.00 34.95 33.24 2b0f s ARG 79 CO 0.00 -0.19 1.26 -0.97 -0.81 0.00 0.00 175.30 174.59 2b0f h ASN 80 N 7.45 0.00 -1.03 -2.12 -1.24 -1.96 -3.40 115.58 113.28 2b0f h ASN 80 Ca -0.37 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.02 2b0f h ASN 80 Cb 1.14 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.09 2b0f h ASN 80 CO 0.36 0.19 1.70 -0.70 -1.29 0.00 0.00 177.43 177.69 2b0f s GLU 81 N -3.17 3.70 0.66 6.67 2.56 -1.26 -4.96 118.70 122.90 2b0f s GLU 81 Ca 0.02 -1.37 -0.13 0.00 0.00 0.00 0.00 54.97 53.49 2b0f s GLU 81 Cb 0.08 -5.41 -0.00 0.00 2.00 0.00 0.00 34.13 30.79 2b0f s GLU 81 CO 0.75 -2.23 1.07 0.15 -0.56 0.00 0.00 175.26 174.44 2b0f s LYS 82 N 4.77 2.94 0.12 4.30 1.02 -1.26 -5.00 119.74 126.64 2b0f s LYS 82 Ca 0.49 1.17 -0.08 0.00 0.02 0.00 0.00 55.97 57.56 2b0f s LYS 82 Cb 0.01 -1.98 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 2b0f s LYS 82 CO -0.05 -1.11 0.42 -0.06 -0.92 0.00 0.00 175.35 173.64 2b0f s PHE 83 N -2.67 3.53 0.27 3.18 0.08 -0.42 -4.94 117.98 117.01 2b0f s PHE 83 Ca 0.62 0.74 -0.30 0.00 0.12 0.00 0.00 56.93 58.11 2b0f s PHE 83 Cb -0.16 -2.14 -0.13 0.00 -0.57 0.00 0.00 43.02 40.02 2b0f s PHE 83 CO 0.46 0.45 1.42 -2.13 -0.10 0.00 0.00 175.22 175.32 2b0f n ARG 84 N 0.49 2.19 -2.64 0.44 0.63 -1.26 -2.79 116.66 113.72 2b0f n ARG 84 Ca -0.05 0.78 -0.42 0.00 -0.92 0.00 0.00 57.85 57.24 2b0f n ARG 84 Cb 0.52 -2.44 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 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 0.21 6.54 -0.04 6.15 -4.77 -1.26 -4.28 116.67 119.22 2b0f s ASP 85 Ca 0.65 -1.62 0.06 0.00 -3.30 0.00 0.00 52.55 48.34 2b0f s ASP 85 Cb -0.60 -2.54 0.25 0.00 -1.09 0.00 0.00 42.92 38.95 2b0f s ASP 85 CO 0.52 -1.40 1.04 2.30 0.70 0.00 0.00 175.17 178.33 2b0f n ILE 86 N 6.58 0.67 0.30 2.11 -5.35 -0.57 -4.09 119.36 119.01 2b0f n ILE 86 Ca 0.32 -0.41 0.16 0.00 -0.27 0.00 0.00 62.75 62.55 2b0f n ILE 86 Cb 0.50 -0.16 0.93 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.41 0.00 0.00 6.28 0.11 -1.86 -1.18 114.38 119.14 2b0f h ARG 87 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2b0f h ARG 87 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2b0f h ARG 87 CO 0.09 0.03 0.00 0.78 0.10 0.00 0.00 179.97 180.98 2b0f h GLY 88 N 0.33 0.00 1.37 0.08 0.00 -1.94 -2.71 103.07 100.19 2b0f h GLY 88 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2b0f h GLY 88 CO 0.00 0.00 -0.83 0.74 0.00 0.00 0.00 176.54 176.46 2b0f h PHE 89 N 0.00 0.00 -3.60 5.60 0.04 -1.51 -3.45 116.94 114.02 2b0f h PHE 89 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 2b0f h PHE 89 Cb 0.72 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.89 2b0f h PHE 89 CO 0.00 0.24 0.56 0.42 -0.60 0.00 0.00 178.31 178.93 2b0f s ILE 90 N -3.15 3.39 0.01 -0.55 1.01 -1.02 -0.77 121.20 120.12 2b0f s ILE 90 Ca 0.01 1.25 0.07 0.00 0.00 0.00 0.00 60.65 61.97 2b0f s ILE 90 Cb 0.08 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2b0f s ILE 90 CO 0.76 0.23 -0.20 -0.44 0.00 0.00 0.00 174.94 175.30 2b0f s SER 91 N -0.17 2.33 0.22 3.58 0.01 -1.18 -4.35 113.70 114.15 2b0f s SER 91 Ca 0.51 -0.43 0.26 0.00 1.31 0.00 0.00 55.95 57.59 2b0f s SER 91 Cb -0.34 -0.22 0.71 0.00 0.21 0.00 0.00 66.02 66.38 2b0f s SER 91 CO 0.40 0.19 1.71 1.05 0.41 0.00 0.00 173.24 177.00 2b0f h GLU 92 N 5.27 0.00 -6.02 12.44 9.09 -1.86 -3.13 114.58 130.36 2b0f h GLU 92 Ca -0.40 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.44 2b0f h GLU 92 Cb 1.15 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.22 2b0f h GLU 92 CO 0.46 0.00 -0.48 0.16 0.05 0.00 0.00 179.01 179.20 2b0f s ASP 93 N -4.67 6.28 -0.03 3.06 -4.77 -1.26 -4.84 116.67 110.44 2b0f s ASP 93 Ca 0.10 0.18 -0.03 0.00 -3.30 0.00 0.00 52.55 49.49 2b0f s ASP 93 Cb 0.12 -1.89 -0.01 0.00 -1.09 0.00 0.00 42.92 40.05 2b0f s ASP 93 CO 0.62 0.09 -0.07 0.18 0.70 0.00 0.00 175.17 176.69 2b0f n LEU 94 N -0.30 0.37 -3.64 2.11 4.77 -1.26 -5.00 117.00 114.05 2b0f n LEU 94 Ca -0.07 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 2b0f n LEU 94 Cb 0.53 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2b0f n LEU 94 CO 0.49 -0.46 -0.23 1.21 -1.33 0.00 0.00 177.39 177.08 2b0f n GLU 95 N -2.87 -1.70 0.00 3.23 0.00 -1.26 -4.95 120.64 113.08 2b0f n GLU 95 Ca -0.03 1.07 0.00 0.00 0.00 0.00 0.00 57.16 58.20 2b0f n GLU 95 Cb 0.10 -2.43 0.00 0.00 0.00 0.00 0.00 31.44 29.11 2b0f n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b0f n GLY 96 N -1.09 -1.70 0.10 8.31 0.00 -1.26 -5.00 105.19 104.55 2b0f n GLY 96 Ca -0.21 1.01 0.11 0.00 0.00 0.00 0.00 46.02 46.93 2b0f n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2b0f n VAL 97 N 0.00 0.77 -4.04 1.61 3.14 -1.26 -4.53 118.33 114.02 2b0f n VAL 97 Ca 0.00 0.13 -0.35 0.00 -2.96 0.00 0.00 64.34 61.16 2b0f n VAL 97 Cb 0.00 -1.00 -0.12 0.00 -1.06 0.00 0.00 33.84 31.66 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 -4.01 5.09 0.01 6.55 -1.08 -1.26 -0.96 116.67 121.01 2b0f s ASP 98 Ca 0.06 -0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 51.93 2b0f s ASP 98 Cb 0.10 -1.88 -0.01 0.00 -1.46 0.00 0.00 42.92 39.68 2b0f s ASP 98 CO 0.41 0.08 0.06 0.00 0.52 0.00 0.00 175.17 176.25 2b0f s ALA 99 N 0.89 -0.13 -0.02 3.66 0.00 -1.08 -4.90 121.76 120.17 2b0f s ALA 99 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2b0f s ALA 99 Cb -0.14 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2b0f s ALA 99 CO 0.02 -0.18 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 2b0f s THR 100 N -1.37 3.34 -0.30 0.00 2.01 -0.20 -2.33 115.64 116.79 2b0f s THR 100 Ca -0.15 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2b0f s THR 100 Cb -0.08 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.10 2b0f s THR 100 CO 0.00 0.50 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 2b0f s LEU 101 N -1.06 3.85 -0.35 4.42 1.98 0.86 -0.17 118.68 128.21 2b0f s LEU 101 Ca 0.14 -1.32 -0.17 0.00 -2.89 0.00 0.00 54.13 49.90 2b0f s LEU 101 Cb -0.11 -1.69 -0.01 0.00 0.66 0.00 0.00 46.19 45.05 2b0f s LEU 101 CO 0.04 -0.25 0.43 -0.69 -1.89 0.00 0.00 176.35 173.99 2b0f s VAL 102 N 1.22 5.09 -0.16 1.68 1.01 0.43 -1.48 120.40 128.19 2b0f s VAL 102 Ca -0.05 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2b0f s VAL 102 Cb -0.20 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2b0f s VAL 102 CO -0.02 -0.18 0.08 -0.69 0.00 0.00 0.00 175.10 174.29 2b0f s VAL 103 N 2.19 4.97 -0.05 2.92 1.01 0.02 -0.30 120.40 131.17 2b0f s VAL 103 Ca 0.15 0.02 0.25 0.00 0.00 0.00 0.00 61.98 62.40 2b0f s VAL 103 Cb -0.16 -3.21 0.45 0.00 0.00 0.00 0.00 36.38 33.46 2b0f s VAL 103 CO 0.13 0.51 1.16 1.57 0.00 0.00 0.00 175.10 178.47 2b0f n HIS 104 N 2.98 0.24 -2.56 5.22 -0.00 -1.01 -1.41 115.22 118.68 2b0f n HIS 104 Ca -0.18 -0.82 0.00 0.00 0.46 0.00 0.00 57.72 57.19 2b0f n HIS 104 Cb 0.53 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2b0f n HIS 104 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2b0f n SER 105 N 0.29 0.98 0.13 0.26 3.41 -0.47 -4.29 113.62 113.93 2b0f n SER 105 Ca 0.06 -0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 2b0f n SER 105 Cb 1.08 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.95 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 -1.29 0.13 4.04 -0.00 -1.59 -3.23 115.58 113.64 2b0f h ASN 106 Ca 0.00 0.13 -0.15 0.00 -0.00 0.00 0.00 56.30 56.28 2b0f h ASN 106 Cb 0.00 0.46 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 2b0f h ASN 106 CO 0.00 -0.49 -0.53 0.78 -0.00 0.00 0.00 177.43 177.19 2b0f h ASN 107 N -0.68 0.48 -3.34 1.15 4.21 -1.86 -3.43 115.58 112.11 2b0f h ASN 107 Ca -0.02 -0.25 -0.39 0.00 1.21 0.00 0.00 56.30 56.85 2b0f h ASN 107 Cb 0.66 -0.14 -0.37 0.00 -1.12 0.00 0.00 38.32 37.35 2b0f h ASN 107 CO -0.19 0.93 -0.75 -0.36 -1.29 0.00 0.00 177.43 175.76 2b0f s PHE 108 N -3.97 0.34 -0.11 1.19 0.08 -1.22 -5.08 117.98 109.21 2b0f s PHE 108 Ca -0.06 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.06 2b0f s PHE 108 Cb 0.12 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 2b0f s PHE 108 CO 0.82 -0.22 -0.22 0.99 -0.10 0.00 0.00 175.22 176.48 2b0f s THR 109 N 1.81 2.17 -1.31 0.64 2.01 -1.25 -1.36 115.64 118.35 2b0f s THR 109 Ca 0.01 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2b0f s THR 109 Cb -0.12 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2b0f s THR 109 CO -0.03 0.55 0.00 0.59 -0.69 0.00 0.00 174.62 175.04 2b0f n ASN 110 N 3.66 -4.53 -4.36 3.53 3.02 -0.50 -4.93 115.26 111.14 2b0f n ASN 110 Ca -0.19 0.04 -0.45 0.00 -0.03 0.00 0.00 54.58 53.95 2b0f n ASN 110 Cb 0.53 -3.63 -0.07 0.00 -0.61 0.00 0.00 39.78 36.00 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2b0f s THR 111 N -2.71 5.22 -0.63 3.41 2.01 -0.63 -4.98 115.64 117.33 2b0f s THR 111 Ca 0.00 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.58 2b0f s THR 111 Cb 0.00 -4.21 0.08 0.00 0.01 0.00 0.00 72.50 68.39 2b0f s THR 111 CO 0.00 -0.69 0.87 -0.63 -0.69 0.00 0.00 174.62 173.48 2b0f s ILE 112 N 1.65 4.51 -0.21 1.82 1.09 -1.26 -0.80 121.20 128.00 2b0f s ILE 112 Ca 0.04 -0.59 -0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2b0f s ILE 112 Cb -0.26 -4.61 0.02 0.00 -1.06 0.00 0.00 42.46 36.55 2b0f s ILE 112 CO 0.05 -1.33 -0.13 -0.22 -0.10 0.00 0.00 174.94 173.21 2b0f s LEU 113 N 3.55 2.64 -0.11 2.97 0.20 -0.55 -4.97 118.68 122.41 2b0f s LEU 113 Ca 0.18 -0.72 -0.29 0.00 0.69 0.00 0.00 54.13 53.99 2b0f s LEU 113 Cb -0.20 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 2b0f s LEU 113 CO 0.09 -0.05 1.39 -1.61 -0.29 0.00 0.00 176.35 175.88 2b0f s GLU 114 N 1.32 4.23 0.02 1.98 8.01 -1.26 -0.10 118.70 132.90 2b0f s GLU 114 Ca 0.03 1.85 -0.07 0.00 0.01 0.00 0.00 54.97 56.79 2b0f s GLU 114 Cb -0.15 -3.80 -0.30 0.00 -4.31 0.00 0.00 34.13 25.57 2b0f s GLU 114 CO -0.08 -0.72 0.93 -0.39 0.01 0.00 0.00 175.26 175.01 2b0f h VAL 115 N 5.44 1.24 0.00 2.63 -1.51 -1.81 -3.47 116.25 118.77 2b0f h VAL 115 Ca -0.32 -2.81 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 2b0f h VAL 115 Cb 1.14 2.86 0.00 0.00 -2.13 0.00 0.00 31.29 33.16 2b0f h VAL 115 CO 0.95 0.84 0.00 0.61 -1.23 0.00 0.00 177.57 178.75 2b0f n GLY 116 N 1.67 0.33 3.62 5.19 0.00 -1.18 -4.71 105.19 110.11 2b0f n GLY 116 Ca -0.15 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 3.85 0.05 1.61 0.04 -1.25 -2.64 135.00 136.67 2b0f s PRO 117 Ca 0.00 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.07 2b0f s PRO 117 Cb 0.00 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2b0f s PRO 117 CO 0.00 -1.20 0.01 0.54 0.04 0.00 0.00 177.00 176.39 2b0f s VAL 118 N 4.39 4.16 0.23 -0.36 0.11 -0.13 -2.27 120.40 126.52 2b0f s VAL 118 Ca 0.52 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.61 2b0f s VAL 118 Cb -0.13 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.80 2b0f s VAL 118 CO 0.25 0.22 0.56 0.28 -3.33 0.00 0.00 175.10 173.08 2b0f s THR 119 N -1.24 0.01 0.04 5.04 -1.32 0.84 -4.61 115.64 114.41 2b0f s THR 119 Ca 0.24 -0.96 -0.14 0.00 -1.21 0.00 0.00 61.69 59.62 2b0f s THR 119 Cb -0.12 -1.81 -0.06 0.00 -1.51 0.00 0.00 72.50 69.01 2b0f s THR 119 CO 0.16 -0.06 0.43 -0.32 -2.21 0.00 0.00 174.62 172.61 2b0f s MET 120 N -3.91 3.89 -0.22 7.08 1.75 -1.26 0.51 119.30 127.14 2b0f s MET 120 Ca 0.12 0.37 0.12 0.00 -1.25 0.00 0.00 55.69 55.06 2b0f s MET 120 Cb -0.02 -3.13 -0.22 0.00 2.84 0.00 0.00 34.83 34.30 2b0f s MET 120 CO 0.02 0.63 -0.04 0.00 -0.65 0.00 0.00 175.02 174.98 2b0f n ALA 121 N 1.47 1.48 0.00 4.11 0.00 0.85 -4.80 120.51 123.62 2b0f n ALA 121 Ca -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2b0f n ALA 121 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 1.96 0.93 3.02 0.00 0.00 -0.53 -4.89 105.19 105.68 2b0f n GLY 122 Ca -0.37 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 1.66 0.00 0.99 2.96 -1.26 -0.96 118.68 122.06 2b0f s LEU 123 Ca 0.00 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2b0f s LEU 123 Cb 0.00 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 2b0f s LEU 123 CO 0.00 -0.03 0.24 2.30 -1.32 0.00 0.00 176.35 177.54 2b0f n ILE 124 N 4.55 0.00 -3.53 6.68 -5.35 -0.98 -4.99 119.36 115.74 2b0f n ILE 124 Ca -0.17 -1.48 -0.41 0.00 -0.27 0.00 0.00 62.75 60.42 2b0f n ILE 124 Cb 0.50 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.15 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 -2.53 6.20 -0.33 7.28 -0.87 -1.26 -0.80 114.94 122.63 2b0f s ASN 125 Ca 0.24 -3.19 -0.29 0.00 -1.57 0.00 0.00 52.86 48.06 2b0f s ASN 125 Cb 0.01 -2.02 -0.01 0.00 -0.02 0.00 0.00 41.25 39.20 2b0f s ASN 125 CO 0.17 -0.36 1.64 -0.22 -2.57 0.00 0.00 177.10 175.76 2b0f s LEU 126 N -0.58 3.62 -1.60 0.60 2.96 0.14 -1.91 118.68 121.91 2b0f s LEU 126 Ca 0.22 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 2b0f s LEU 126 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2b0f s LEU 126 CO -0.08 -1.51 0.00 -1.54 -1.32 0.00 0.00 176.35 171.89 2b0f n SER 127 N 9.39 -4.98 0.00 3.68 3.41 -1.26 -1.13 113.62 122.73 2b0f n SER 127 Ca 0.20 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2b0f n SER 127 Cb 0.47 -4.02 0.00 0.00 -0.26 0.00 0.00 64.21 60.40 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2b0f n SER 128 N -0.96 0.00 -4.67 4.04 7.64 -0.80 -5.03 113.62 113.83 2b0f n SER 128 Ca -0.18 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.33 2b0f n SER 128 Cb 0.60 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 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 -3.17 5.37 0.02 0.44 2.01 -0.29 -4.90 115.64 115.12 2b0f s THR 129 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2b0f s THR 129 Cb 0.00 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 2b0f s THR 129 CO 0.00 0.36 1.90 -2.84 -0.69 0.00 0.00 174.62 173.35 2b0f s PRO 130 N 0.93 4.15 -0.03 4.92 0.02 -1.26 0.26 135.00 143.99 2b0f s PRO 130 Ca 0.08 2.53 0.06 0.00 0.02 0.00 0.00 61.00 63.68 2b0f s PRO 130 Cb -0.13 -4.10 -0.01 0.00 0.02 0.00 0.00 34.50 30.28 2b0f s PRO 130 CO 0.03 -0.93 -0.20 0.95 -0.33 0.00 0.00 177.00 176.52 2b0f s THR 131 N 4.30 1.64 0.27 0.99 -4.23 0.02 -3.79 115.64 114.84 2b0f s THR 131 Ca 0.85 -0.86 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 2b0f s THR 131 Cb -0.41 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2b0f s THR 131 CO 0.39 0.47 0.08 0.21 -0.54 0.00 0.00 174.62 175.22 2b0f s ASN 132 N -0.27 4.89 -1.39 3.99 2.47 0.68 -2.32 114.94 122.99 2b0f s ASN 132 Ca 0.02 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 52.78 2b0f s ASN 132 Cb -0.10 -1.02 0.00 0.00 -1.45 0.00 0.00 41.25 38.68 2b0f s ASN 132 CO 0.01 -0.04 0.00 0.54 -3.72 0.00 0.00 177.10 173.89 2b0f n ARG 133 N -1.02 -1.27 -2.32 0.43 5.12 -0.14 -4.62 116.66 112.84 2b0f n ARG 133 Ca -0.07 0.80 -0.43 0.00 -1.93 0.00 0.00 57.85 56.23 2b0f n ARG 133 Cb 0.59 -5.17 -0.02 0.00 -1.16 0.00 0.00 32.46 26.69 2b0f n ARG 133 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2b0f s MET 134 N -4.70 4.25 -0.04 5.56 1.75 -0.17 -2.40 119.30 123.55 2b0f s MET 134 Ca 0.00 1.81 -0.04 0.00 -1.25 0.00 0.00 55.69 56.20 2b0f s MET 134 Cb 0.00 -3.74 -0.04 0.00 2.84 0.00 0.00 34.83 33.89 2b0f s MET 134 CO 0.00 -0.67 0.18 0.42 -0.65 0.00 0.00 175.02 174.30 2b0f s ILE 135 N 3.20 5.44 0.02 10.11 1.01 0.11 -0.10 121.20 140.99 2b0f s ILE 135 Ca 0.60 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.28 2b0f s ILE 135 Cb -0.26 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2b0f s ILE 135 CO 0.20 0.42 -0.14 0.00 0.00 0.00 0.00 174.94 175.42 2b0f s ARG 136 N -1.65 1.05 -0.06 2.79 1.70 0.18 0.12 118.95 123.08 2b0f s ARG 136 Ca 0.24 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 2b0f s ARG 136 Cb -0.12 -1.04 0.01 0.00 -0.57 0.00 0.00 34.95 33.22 2b0f s ARG 136 CO 0.14 0.27 -0.12 1.52 -1.08 0.00 0.00 175.30 176.04 2b0f s TYR 137 N -0.61 1.36 -0.50 5.89 -0.85 -0.26 -0.11 117.35 122.26 2b0f s TYR 137 Ca 0.04 -0.46 -0.27 0.00 -0.52 0.00 0.00 57.07 55.86 2b0f s TYR 137 Cb -0.07 -0.99 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 2b0f s TYR 137 CO 0.00 -0.23 1.91 0.34 -1.52 0.00 0.00 175.55 176.06 2b0f s ASP 138 N 0.54 5.38 -0.30 -0.18 2.15 -0.96 -0.41 116.67 122.88 2b0f s ASP 138 Ca -0.12 0.78 -0.19 0.00 0.43 0.00 0.00 52.55 53.45 2b0f s ASP 138 Cb -0.14 -2.52 0.20 0.00 -0.30 0.00 0.00 42.92 40.16 2b0f s ASP 138 CO 0.03 -2.21 1.32 -0.47 -0.17 0.00 0.00 175.17 173.67 2b0f s TYR 139 N 8.73 -0.08 -0.33 -5.34 5.04 0.49 -4.66 117.35 121.20 2b0f s TYR 139 Ca 0.76 0.16 -0.28 0.00 -2.44 0.00 0.00 57.07 55.27 2b0f s TYR 139 Cb -0.17 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.34 2b0f s TYR 139 CO 0.26 -0.04 1.72 0.00 -1.34 0.00 0.00 175.55 176.16 2b0f s ALA 140 N 0.67 2.94 0.08 3.97 0.00 -1.26 -3.37 121.76 124.79 2b0f s ALA 140 Ca -0.02 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2b0f s ALA 140 Cb -0.03 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2b0f s ALA 140 CO -0.12 -2.52 -0.06 0.95 0.00 0.00 0.00 175.76 174.00 2b0f s THR 141 N 6.50 3.62 0.07 0.00 -4.23 -0.83 -5.00 115.64 115.77 2b0f s THR 141 Ca 0.76 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2b0f s THR 141 Cb -0.21 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2b0f s THR 141 CO 0.33 0.18 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.95 2b0f s LYS 142 N -2.05 0.72 0.99 3.99 -0.14 -1.26 -4.58 119.74 117.41 2b0f s LYS 142 Ca 0.22 -0.94 -0.17 0.00 -1.36 0.00 0.00 55.97 53.71 2b0f s LYS 142 Cb -0.11 -0.55 -0.10 0.00 -1.68 0.00 0.00 37.83 35.38 2b0f s LYS 142 CO 0.14 0.11 -0.58 0.25 -0.76 0.00 0.00 175.35 174.50 2b0f n THR 143 N 1.15 0.00 0.00 2.17 -2.24 -1.26 -3.14 114.28 110.96 2b0f n THR 143 Ca -0.20 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2b0f n THR 143 Cb 0.55 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2b0f n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b0f n GLY 144 N 2.99 1.87 1.17 3.38 0.00 -1.26 -4.84 105.19 108.49 2b0f n GLY 144 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 2.62 -2.01 1.61 6.02 -1.19 -2.88 117.38 119.56 2b0f n GLN 145 Ca 0.00 -2.43 -0.40 0.00 -0.01 0.00 0.00 57.00 54.16 2b0f n GLN 145 Cb 0.00 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0f n GLY 147 N 0.66 0.86 3.64 0.00 0.00 0.20 -2.13 105.19 108.41 2b0f n GLY 147 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 0.76 3.59 -0.02 0.00 -0.98 -4.33 105.19 102.21 2b0f n GLY 148 Ca 0.00 0.63 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 0.50 4.35 -0.58 1.61 1.01 0.59 0.14 120.40 128.02 2b0f s VAL 149 Ca 0.78 1.08 -0.25 0.00 0.00 0.00 0.00 61.98 63.59 2b0f s VAL 149 Cb -0.77 -4.51 0.04 0.00 0.00 0.00 0.00 36.38 31.14 2b0f s VAL 149 CO 0.44 -0.88 1.02 -0.22 0.00 0.00 0.00 175.10 175.46 2b0f s LEU 150 N 4.08 3.93 0.33 3.92 2.96 0.57 -0.43 118.68 134.03 2b0f s LEU 150 Ca 0.43 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2b0f s LEU 150 Cb -0.09 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 2b0f s LEU 150 CO 0.28 -1.34 0.38 0.00 -1.32 0.00 0.00 176.35 174.35 2b0f s ALA 152 N -3.30 1.07 -0.62 0.00 0.00 0.13 -1.03 121.76 118.02 2b0f s ALA 152 Ca 0.35 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 2b0f s ALA 152 Cb 0.01 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 2b0f s ALA 152 CO 0.22 -0.72 1.77 0.99 0.00 0.00 0.00 175.76 178.03 2b0f s THR 153 N -3.49 3.42 0.00 0.00 2.01 -1.26 -2.57 115.64 113.74 2b0f s THR 153 Ca 0.34 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.60 2b0f s THR 153 Cb 0.02 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2b0f s THR 153 CO 0.20 -1.02 0.00 0.61 -0.69 0.00 0.00 174.62 173.72 2b0f n GLY 154 N 5.64 0.77 3.44 4.40 0.00 -1.26 -5.05 105.19 113.13 2b0f n GLY 154 Ca 0.18 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.63 0.58 -0.14 1.61 2.20 -1.06 -4.75 119.74 117.55 2b0f s LYS 155 Ca 0.00 0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 56.47 2b0f s LYS 155 Cb 0.00 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 2b0f s LYS 155 CO 0.00 -0.12 -0.06 0.42 -0.36 0.00 0.00 175.35 175.23 2b0f s ILE 156 N 0.95 3.72 -0.24 5.43 -1.09 0.05 0.22 121.20 130.24 2b0f s ILE 156 Ca -0.05 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 2b0f s ILE 156 Cb -0.05 -2.60 -0.17 0.00 -1.58 0.00 0.00 42.46 38.05 2b0f s ILE 156 CO -0.08 0.52 -0.14 0.49 -1.23 0.00 0.00 174.94 174.50 2b0f n PHE 157 N 3.32 0.27 -0.94 3.97 3.72 -0.21 -3.12 117.46 124.47 2b0f n PHE 157 Ca -0.18 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2b0f n PHE 157 Cb 0.53 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 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 1.93 -0.61 3.08 1.37 0.00 -0.91 -0.45 105.19 109.59 2b0f n GLY 158 Ca -0.45 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.73 0.63 -0.04 -0.61 -4.36 -1.15 -0.31 121.20 111.61 2b0f s ILE 159 Ca 0.00 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 2b0f s ILE 159 Cb 0.00 -0.69 -0.07 0.00 1.25 0.00 0.00 42.46 42.95 2b0f s ILE 159 CO 0.00 -0.37 1.85 -2.28 0.24 0.00 0.00 174.94 174.38 2b0f s HIS 160 N -1.40 1.58 -0.02 1.37 5.65 0.36 -1.29 115.29 121.54 2b0f s HIS 160 Ca -0.08 -0.07 0.07 0.00 0.25 0.00 0.00 55.06 55.23 2b0f s HIS 160 Cb -0.10 -4.08 -0.11 0.00 -1.18 0.00 0.00 32.58 27.11 2b0f s HIS 160 CO 0.01 -4.64 0.13 0.28 -0.65 0.00 0.00 174.74 169.87 2b0f n VAL 161 N 5.79 0.08 0.00 0.89 0.31 -0.34 0.59 118.33 125.65 2b0f n VAL 161 Ca 0.20 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2b0f n VAL 161 Cb 0.42 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 2.18 -0.85 0.00 2.92 0.00 0.28 -4.92 105.19 104.80 2b0f n GLY 162 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.63 2.70 -0.02 0.00 -1.26 -0.25 105.19 107.99 2b0f n GLY 163 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 3.50 1.16 1.61 2.47 0.20 -4.83 114.94 119.05 2b0f s ASN 164 Ca 0.00 -3.36 0.00 0.00 0.42 0.00 0.00 52.86 49.92 2b0f s ASN 164 Cb 0.00 -1.14 0.00 0.00 -1.45 0.00 0.00 41.25 38.66 2b0f s ASN 164 CO 0.00 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 2b0f n GLY 165 N 2.57 1.46 0.68 1.21 0.00 -1.26 -2.72 105.19 107.12 2b0f n GLY 165 Ca 0.21 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 1.86 -3.96 1.61 1.74 -1.26 -1.96 116.66 114.69 2b0f n ARG 166 Ca 0.00 -1.33 -0.31 0.00 -0.77 0.00 0.00 57.85 55.45 2b0f n ARG 166 Cb 0.00 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.60 1.76 0.31 5.56 -0.21 -1.10 -0.38 119.66 124.00 2b0f s GLN 167 Ca 0.29 -1.01 -0.27 0.00 0.02 0.00 0.00 55.36 54.39 2b0f s GLN 167 Cb 0.16 -2.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 2b0f s GLN 167 CO 0.22 -0.57 1.00 0.20 -2.12 0.00 0.00 175.29 174.02 2b0f s GLY 168 N 1.36 2.93 -0.13 3.09 0.00 0.45 0.58 107.32 115.60 2b0f s GLY 168 Ca -0.06 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.36 2b0f s GLY 168 CO -0.06 1.18 -0.21 -1.36 0.00 0.00 0.00 173.10 172.65 2b0f s PHE 169 N -1.41 2.67 0.27 1.90 0.08 0.65 -1.10 117.98 121.04 2b0f s PHE 169 Ca 0.48 -1.13 0.07 0.00 0.12 0.00 0.00 56.93 56.47 2b0f s PHE 169 Cb -0.24 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2b0f s PHE 169 CO 0.31 -0.49 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.31 2b0f s SER 170 N 0.62 2.81 -0.09 1.36 1.04 0.12 -0.56 113.70 119.00 2b0f s SER 170 Ca -0.11 -1.14 -0.07 0.00 0.48 0.00 0.00 55.95 55.11 2b0f s SER 170 Cb -0.16 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 2b0f s SER 170 CO 0.03 -0.28 0.17 0.00 0.98 0.00 0.00 173.24 174.14 2b0f s ALA 171 N -2.96 3.88 -0.53 5.32 0.00 -0.41 0.09 121.76 127.16 2b0f s ALA 171 Ca 0.28 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 2b0f s ALA 171 Cb 0.02 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2b0f s ALA 171 CO 0.11 0.63 1.33 -1.14 0.00 0.00 0.00 175.76 176.69 2b0f s GLN 172 N -1.20 3.46 -1.00 0.00 0.74 -1.01 -2.95 119.66 117.69 2b0f s GLN 172 Ca 0.18 0.51 -0.14 0.00 0.05 0.00 0.00 55.36 55.96 2b0f s GLN 172 Cb -0.13 -4.05 0.19 0.00 1.10 0.00 0.00 33.01 30.13 2b0f s GLN 172 CO 0.07 -1.74 1.09 -0.51 -0.55 0.00 0.00 175.29 173.66 2b0f s LEU 173 N 5.48 5.78 0.14 3.68 1.02 0.40 -4.98 118.68 130.21 2b0f s LEU 173 Ca 0.51 -2.74 -0.30 0.00 0.02 0.00 0.00 54.13 51.62 2b0f s LEU 173 Cb -0.10 -2.31 -0.07 0.00 0.02 0.00 0.00 46.19 43.73 2b0f s LEU 173 CO 0.27 -0.70 1.03 -0.54 0.02 0.00 0.00 176.35 176.43 2b0f s LYS 174 N 0.96 4.65 0.38 1.70 1.02 -1.26 -4.22 119.74 122.97 2b0f s LYS 174 Ca 0.30 1.58 0.11 0.00 0.02 0.00 0.00 55.97 57.98 2b0f s LYS 174 Cb -0.07 -3.33 0.91 0.00 -0.52 0.00 0.00 37.83 34.82 2b0f s LYS 174 CO -0.07 0.15 1.89 -0.22 -0.92 0.00 0.00 175.35 176.18 2b0f h LYS 175 N 5.38 0.57 -0.84 1.68 3.64 -1.74 -0.75 116.57 124.51 2b0f h LYS 175 Ca -0.43 -0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.09 2b0f h LYS 175 Cb 1.21 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 2b0f h LYS 175 CO 0.72 0.38 0.56 0.37 -2.27 0.00 0.00 179.45 179.21 2b0f h GLN 176 N 0.59 0.40 0.00 1.90 4.15 -1.91 0.10 115.11 120.34 2b0f h GLN 176 Ca 0.41 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.73 2b0f h GLN 176 Cb 0.74 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2b0f h GLN 176 CO -0.16 0.26 -0.35 1.88 -1.93 0.00 0.00 178.83 178.53 2b0f h TYR 177 N 0.41 0.00 -0.01 3.99 0.05 -1.52 0.19 116.97 120.08 2b0f h TYR 177 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2b0f h TYR 177 Cb 1.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.77 2b0f h TYR 177 CO -0.00 0.35 -0.16 1.19 -1.05 0.00 0.00 178.16 178.49 2b0f n PHE 178 N -3.53 0.00 -0.09 4.88 3.72 0.32 -2.45 117.46 120.31 2b0f n PHE 178 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 2b0f n PHE 178 Cb 0.49 -0.14 -0.14 0.00 -0.94 0.00 0.00 39.48 38.75 2b0f n PHE 178 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2b0f n VAL 179 N -0.76 1.24 -0.11 -4.37 0.31 -0.94 -4.27 118.33 109.44 2b0f n VAL 179 Ca 0.14 -0.73 -0.06 0.00 -0.01 0.00 0.00 64.34 63.67 2b0f n VAL 179 Cb 0.31 -0.60 0.02 0.00 -0.91 0.00 0.00 33.84 32.65 2b0f n VAL 179 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2b0f h GLU 180 N 0.00 0.31 -5.86 5.55 4.57 -0.59 -3.38 114.58 115.19 2b0f h GLU 180 Ca -0.49 -0.02 -0.60 0.00 -1.18 0.00 0.00 59.36 57.07 2b0f h GLU 180 Cb 2.07 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 30.53 2b0f h GLU 180 CO 0.02 0.21 -0.23 -1.59 -1.18 0.00 0.00 179.01 176.24 2b0f s LYS 181 N -6.16 4.02 0.00 1.92 0.00 -1.02 -5.09 119.74 113.41 2b0f s LYS 181 Ca -0.13 0.34 0.25 0.00 0.00 0.00 0.00 55.97 56.42 2b0f s LYS 181 Cb 0.12 -3.29 0.35 0.00 0.00 0.00 0.00 37.83 35.00 2b0f s LYS 181 CO 0.71 0.53 1.35 0.94 0.00 0.00 0.00 175.35 178.88