#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1osa n GLU 2 N 0.00 0.00 0.00 0.00 2.13 -1.26 -5.08 120.64 116.44 1osa n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1osa n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1osa n GLU 2 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1osa n GLN 3 N -0.48 0.00 -3.74 5.31 7.27 -1.26 -5.13 117.38 119.35 1osa n GLN 3 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1osa n GLN 3 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 1osa n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1osa s LEU 4 N 0.00 0.58 0.61 1.69 1.43 -1.26 -5.14 118.68 116.60 1osa s LEU 4 Ca 0.00 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.55 1osa s LEU 4 Cb 0.00 0.82 -0.02 0.00 0.03 0.00 0.00 46.19 47.02 1osa s LEU 4 CO 0.00 -0.14 0.98 0.42 0.23 0.00 0.00 176.35 177.84 1osa s THR 5 N 0.90 4.35 0.40 5.49 -4.23 -1.26 -4.95 115.64 116.34 1osa s THR 5 Ca -0.06 0.54 0.16 0.00 -1.18 0.00 0.00 61.69 61.14 1osa s THR 5 Cb -0.07 -3.73 0.36 0.00 1.34 0.00 0.00 72.50 70.40 1osa s THR 5 CO -0.06 -0.89 1.86 -0.33 -0.54 0.00 0.00 174.62 174.66 1osa h GLU 6 N -0.26 0.45 -0.11 3.99 5.08 -2.02 -2.64 114.58 119.07 1osa h GLU 6 Ca -0.45 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 57.70 1osa h GLU 6 Cb 1.22 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1osa h GLU 6 CO 0.62 0.30 -0.70 1.05 -1.00 0.00 0.00 179.01 179.28 1osa h GLU 7 N 0.47 0.47 -0.41 2.33 4.11 -1.99 -1.30 114.58 118.26 1osa h GLU 7 Ca 0.46 -0.37 -0.08 0.00 0.07 0.00 0.00 59.36 59.44 1osa h GLU 7 Cb 1.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1osa h GLU 7 CO -0.19 1.00 -0.06 1.96 0.07 0.00 0.00 179.01 181.80 1osa h GLN 8 N 0.33 0.76 -0.37 1.06 4.20 -1.86 -2.09 115.11 117.14 1osa h GLN 8 Ca -0.03 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1osa h GLN 8 Cb 1.28 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1osa h GLN 8 CO 0.12 0.87 0.17 0.82 -0.67 0.00 0.00 178.83 180.15 1osa h ILE 9 N 0.58 0.97 -0.81 2.54 2.04 -1.48 0.10 117.51 121.45 1osa h ILE 9 Ca 0.11 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1osa h ILE 9 Cb 0.56 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1osa h ILE 9 CO 0.03 0.07 0.53 0.00 0.00 0.00 0.00 178.15 178.78 1osa h ALA 10 N 1.20 1.04 -0.12 1.87 0.00 -1.15 0.29 119.26 122.38 1osa h ALA 10 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1osa h ALA 10 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1osa h ALA 10 CO -0.12 0.40 -0.45 0.93 0.00 0.00 0.00 179.25 180.02 1osa h GLU 11 N 1.07 0.29 -0.09 0.00 5.08 -1.08 -1.98 114.58 117.87 1osa h GLU 11 Ca 0.31 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 1osa h GLU 11 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1osa h GLU 11 CO -0.08 0.69 -0.54 0.74 -1.00 0.00 0.00 179.01 178.82 1osa h PHE 12 N 0.24 0.32 -0.57 4.33 0.04 0.10 -2.89 116.94 118.51 1osa h PHE 12 Ca 0.02 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1osa h PHE 12 Cb 0.89 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 1osa h PHE 12 CO 0.02 0.74 0.25 0.87 -0.60 0.00 0.00 178.31 179.59 1osa h LYS 13 N 0.20 0.81 -0.63 1.51 1.57 -0.19 -2.18 116.57 117.67 1osa h LYS 13 Ca 0.00 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1osa h LYS 13 Cb 1.01 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1osa h LYS 13 CO 0.08 0.65 0.40 0.93 -0.57 0.00 0.00 179.45 180.95 1osa h GLU 14 N 0.81 0.79 -0.67 3.15 5.08 -1.22 -1.65 114.58 120.87 1osa h GLU 14 Ca 0.20 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1osa h GLU 14 Cb 0.12 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1osa h GLU 14 CO -0.02 0.52 0.19 0.00 -1.00 0.00 0.00 179.01 178.69 1osa h ALA 15 N 1.25 0.88 -0.68 3.43 0.00 -1.46 -2.85 119.26 119.83 1osa h ALA 15 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1osa h ALA 15 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1osa h ALA 15 CO -0.07 0.57 0.21 0.35 0.00 0.00 0.00 179.25 180.31 1osa h PHE 16 N 0.98 1.07 0.00 0.00 3.57 -1.19 -2.55 116.94 118.83 1osa h PHE 16 Ca 0.21 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1osa h PHE 16 Cb 0.33 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1osa h PHE 16 CO 0.03 0.85 -0.14 0.00 -2.23 0.00 0.00 178.31 176.82 1osa h ALA 17 N 1.23 1.31 -0.51 2.41 0.00 -1.14 0.27 119.26 122.82 1osa h ALA 17 Ca 0.22 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1osa h ALA 17 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1osa h ALA 17 CO -0.01 0.17 -0.13 1.25 0.00 0.00 0.00 179.25 180.53 1osa h LEU 18 N 0.00 0.98 0.09 0.00 5.85 -1.23 -3.29 115.31 117.72 1osa h LEU 18 Ca -0.00 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.25 1osa h LEU 18 Cb 0.36 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1osa h LEU 18 CO 0.02 1.11 -0.64 -0.26 -0.34 0.00 0.00 178.44 178.32 1osa h PHE 19 N 0.86 0.35 -0.37 1.25 0.04 -1.52 -3.39 116.94 114.16 1osa h PHE 19 Ca 0.13 -0.26 -0.63 0.00 2.80 0.00 0.00 57.97 60.02 1osa h PHE 19 Cb 0.69 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 1osa h PHE 19 CO 0.04 1.25 2.34 -3.47 -0.60 0.00 0.00 178.31 177.87 1osa n ASP 20 N -4.26 3.88 0.05 2.17 2.03 0.04 -4.67 116.55 115.79 1osa n ASP 20 Ca -0.14 -2.82 0.10 0.00 0.52 0.00 0.00 54.79 52.45 1osa n ASP 20 Cb 0.72 -1.61 0.56 0.00 -0.72 0.00 0.00 41.12 40.07 1osa n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1osa h LYS 21 N 7.47 0.24 -0.03 -0.67 6.56 -1.77 -2.41 116.57 125.97 1osa h LYS 21 Ca 0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 1osa h LYS 21 Cb 0.77 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1osa h LYS 21 CO 1.64 0.16 -0.00 -0.40 -2.06 0.00 0.00 179.45 178.79 1osa n ASP 22 N -4.48 2.77 -0.92 0.86 5.75 -1.26 -5.00 116.55 114.28 1osa n ASP 22 Ca 0.04 -1.89 -0.10 0.00 -0.01 0.00 0.00 54.79 52.84 1osa n ASP 22 Cb 0.26 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.33 1osa n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1osa n GLY 23 N 1.20 0.60 0.14 6.12 0.00 -0.91 -4.89 105.19 107.46 1osa n GLY 23 Ca 0.12 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1osa n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1osa n ASP 24 N 0.29 0.55 0.00 1.61 5.75 -1.26 -4.90 116.55 118.59 1osa n ASP 24 Ca -0.11 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1osa n ASP 24 Cb 0.44 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1osa n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1osa n GLY 25 N 1.25 0.80 3.07 6.12 0.00 -1.26 -5.05 105.19 110.12 1osa n GLY 25 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1osa n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1osa s THR 26 N -2.00 0.15 -0.16 2.61 -4.23 -1.26 -4.29 115.64 106.47 1osa s THR 26 Ca 0.00 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1osa s THR 26 Cb 0.00 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 1osa s THR 26 CO 0.00 -0.70 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.62 1osa s ILE 27 N -2.71 2.90 0.49 2.99 1.01 -0.56 -4.68 121.20 120.64 1osa s ILE 27 Ca -0.04 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1osa s ILE 27 Cb -0.01 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1osa s ILE 27 CO -0.05 0.50 0.44 0.42 0.00 0.00 0.00 174.94 176.25 1osa s THR 28 N 0.80 2.20 0.41 2.92 -4.23 -1.26 -2.45 115.64 114.04 1osa s THR 28 Ca -0.05 -1.36 0.10 0.00 -1.18 0.00 0.00 61.69 59.21 1osa s THR 28 Cb -0.15 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.32 1osa s THR 28 CO 0.01 0.00 1.98 0.71 -0.54 0.00 0.00 174.62 176.78 1osa h THR 29 N 0.81 1.13 0.00 3.99 1.35 -1.91 -1.82 112.91 116.46 1osa h THR 29 Ca -0.38 -0.54 -0.11 0.00 -0.55 0.00 0.00 66.41 64.82 1osa h THR 29 Cb 1.28 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1osa h THR 29 CO 0.55 0.18 -0.54 0.50 -0.25 0.00 0.00 175.52 175.96 1osa h LYS 30 N 0.24 0.00 -0.03 4.72 1.63 -1.98 -1.41 116.57 119.75 1osa h LYS 30 Ca 0.06 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 1osa h LYS 30 Cb 0.23 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1osa h LYS 30 CO 0.01 0.54 -0.63 0.93 -3.45 0.00 0.00 179.45 176.85 1osa h GLU 31 N 0.00 0.48 -0.73 1.90 5.08 -1.75 -2.76 114.58 116.80 1osa h GLU 31 Ca -0.01 -0.47 0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1osa h GLU 31 Cb 1.30 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.57 1osa h GLU 31 CO 0.07 1.12 0.22 1.25 -1.00 0.00 0.00 179.01 180.66 1osa h LEU 32 N 0.02 0.10 -0.81 1.33 5.85 -1.33 -2.50 115.31 117.98 1osa h LEU 32 Ca -0.07 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1osa h LEU 32 Cb 1.32 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 1osa h LEU 32 CO 0.13 0.01 0.50 1.23 -0.34 0.00 0.00 178.44 179.97 1osa h GLY 33 N 0.33 1.19 1.57 3.75 0.00 -1.28 -1.34 103.07 107.28 1osa h GLY 33 Ca 0.40 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1osa h GLY 33 CO -0.46 0.28 -0.13 -0.84 0.00 0.00 0.00 176.54 175.40 1osa h THR 34 N 0.95 1.23 -0.01 4.70 2.02 -1.14 -1.92 112.91 118.74 1osa h THR 34 Ca 0.34 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 1osa h THR 34 Cb 0.09 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1osa h THR 34 CO -0.14 0.34 -0.22 0.58 0.37 0.00 0.00 175.52 176.45 1osa h VAL 35 N 0.48 1.53 -0.11 3.16 2.07 -1.19 -2.78 116.25 119.40 1osa h VAL 35 Ca 0.09 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.79 1osa h VAL 35 Cb 0.51 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1osa h VAL 35 CO 0.03 0.51 -0.15 0.24 0.02 0.00 0.00 177.57 178.22 1osa h MET 36 N -0.47 -0.19 -0.79 1.57 2.86 -1.21 -1.21 114.93 115.49 1osa h MET 36 Ca -0.02 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.80 1osa h MET 36 Cb 0.95 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.60 1osa h MET 36 CO 0.04 -0.13 0.53 0.00 1.06 0.00 0.00 176.91 178.42 1osa h ARG 37 N -0.20 0.38 0.00 1.72 3.08 -0.49 0.23 114.38 119.11 1osa h ARG 37 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1osa h ARG 37 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1osa h ARG 37 CO -0.22 0.25 -0.08 0.66 -1.07 0.00 0.00 179.97 179.51 1osa h SER 38 N 0.39 0.00 -0.57 7.04 4.64 -0.93 -2.40 113.55 121.71 1osa h SER 38 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1osa h SER 38 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1osa h SER 38 CO -0.13 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 1osa n LEU 39 N -3.21 4.10 0.00 5.97 4.77 0.78 -4.92 117.00 124.49 1osa n LEU 39 Ca 0.01 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1osa n LEU 39 Cb 0.36 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1osa n LEU 39 CO 0.30 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1osa n GLY 40 N 1.09 0.74 3.45 -0.72 0.00 -0.90 -5.05 105.19 103.79 1osa n GLY 40 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1osa n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1osa s GLN 41 N -0.43 3.11 -0.74 1.61 -2.07 -1.01 -4.99 119.66 115.14 1osa s GLN 41 Ca 0.00 -0.64 0.01 0.00 -1.82 0.00 0.00 55.36 52.90 1osa s GLN 41 Cb 0.00 -2.60 0.18 0.00 -1.09 0.00 0.00 33.01 29.50 1osa s GLN 41 CO 0.00 0.39 0.57 -0.80 -1.32 0.00 0.00 175.29 174.13 1osa s ASN 42 N -0.10 5.31 0.58 12.60 -0.87 -1.26 -1.69 114.94 129.51 1osa s ASN 42 Ca -0.01 -3.50 -0.17 0.00 -1.57 0.00 0.00 52.86 47.61 1osa s ASN 42 Cb -0.14 -1.79 -0.04 0.00 -0.02 0.00 0.00 41.25 39.26 1osa s ASN 42 CO 0.03 -0.20 1.07 -2.84 -2.57 0.00 0.00 177.10 172.60 1osa s PRO 43 N -1.00 3.30 0.62 -0.60 0.02 -1.26 -5.04 135.00 131.04 1osa s PRO 43 Ca 0.23 1.31 -0.09 0.00 0.02 0.00 0.00 61.00 62.48 1osa s PRO 43 Cb -0.11 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 1osa s PRO 43 CO -0.10 -0.84 0.97 0.95 -0.33 0.00 0.00 177.00 177.65 1osa s THR 44 N -2.27 4.01 0.28 0.99 -4.23 -1.26 -4.91 115.64 108.25 1osa s THR 44 Ca 0.66 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 1osa s THR 44 Cb -0.18 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.32 1osa s THR 44 CO 0.34 -0.72 1.80 -0.08 -0.54 0.00 0.00 174.62 175.42 1osa h GLU 45 N -0.30 0.79 -0.67 3.99 4.57 -1.99 -1.09 114.58 119.89 1osa h GLU 45 Ca -0.45 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 1osa h GLU 45 Cb 1.23 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1osa h GLU 45 CO 0.62 0.52 0.27 0.00 -1.18 0.00 0.00 179.01 179.25 1osa h ALA 46 N 1.56 1.22 -0.51 2.92 0.00 -1.99 -1.44 119.26 121.03 1osa h ALA 46 Ca 0.50 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1osa h ALA 46 Cb 0.63 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1osa h ALA 46 CO -0.32 0.57 -0.01 0.93 0.00 0.00 0.00 179.25 180.42 1osa h GLU 47 N 0.96 0.90 -0.91 0.00 5.08 -1.63 -2.45 114.58 116.53 1osa h GLU 47 Ca 0.23 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1osa h GLU 47 Cb 0.18 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1osa h GLU 47 CO -0.02 0.94 0.56 -0.07 -1.00 0.00 0.00 179.01 179.41 1osa h LEU 48 N 0.77 1.09 -1.03 1.33 3.38 -0.99 -2.69 115.31 117.17 1osa h LEU 48 Ca 0.14 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1osa h LEU 48 Cb 0.54 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1osa h LEU 48 CO 0.03 0.83 -0.11 -0.61 0.09 0.00 0.00 178.44 178.67 1osa h GLN 49 N 1.26 0.57 -0.51 1.13 5.75 -1.13 -1.70 115.11 120.47 1osa h GLN 49 Ca 0.33 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 1osa h GLN 49 Cb -0.06 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1osa h GLN 49 CO -0.06 0.68 -0.17 -0.44 -2.65 0.00 0.00 178.83 176.18 1osa h ASP 50 N 0.53 1.04 -0.58 -0.69 3.32 -1.21 -0.46 116.42 118.36 1osa h ASP 50 Ca 0.10 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1osa h ASP 50 Cb 0.51 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1osa h ASP 50 CO 0.03 1.18 0.33 0.24 -1.72 0.00 0.00 179.24 179.30 1osa h MET 51 N 0.89 0.80 -0.56 3.56 2.86 -1.28 -2.36 114.93 118.85 1osa h MET 51 Ca 0.12 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1osa h MET 51 Cb 0.75 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1osa h MET 51 CO 0.06 0.60 0.00 0.82 1.06 0.00 0.00 176.91 179.45 1osa h ILE 52 N 0.78 1.26 -0.08 -1.22 1.08 -1.21 -3.17 117.51 114.95 1osa h ILE 52 Ca 0.21 -1.11 -0.04 0.00 -0.39 0.00 0.00 64.86 63.52 1osa h ILE 52 Cb 0.02 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1osa h ILE 52 CO -0.04 0.40 -0.15 0.78 -0.69 0.00 0.00 178.15 178.45 1osa h ASN 53 N 0.86 0.12 -0.50 1.72 -0.26 -0.87 0.30 115.58 116.95 1osa h ASN 53 Ca 0.16 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.91 1osa h ASN 53 Cb 0.53 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 1osa h ASN 53 CO 0.03 0.28 0.33 -0.08 -1.06 0.00 0.00 177.43 176.93 1osa h GLU 54 N 0.12 0.53 0.00 0.81 4.81 -1.40 -3.20 114.58 116.24 1osa h GLU 54 Ca 0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1osa h GLU 54 Cb 0.34 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1osa h GLU 54 CO 0.02 0.35 -1.72 0.28 -0.73 0.00 0.00 179.01 177.21 1osa n VAL 55 N -4.47 0.29 -2.29 0.32 0.31 -0.20 -4.88 118.33 107.41 1osa n VAL 55 Ca 0.06 -0.39 -0.34 0.00 -0.01 0.00 0.00 64.34 63.66 1osa n VAL 55 Cb 0.16 -0.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 1osa n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1osa s ASP 56 N -3.93 5.78 0.19 4.52 2.15 0.88 -4.85 116.67 121.41 1osa s ASP 56 Ca -0.06 -1.24 -0.08 0.00 0.43 0.00 0.00 52.55 51.61 1osa s ASP 56 Cb 0.07 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.21 1osa s ASP 56 CO 0.57 -2.19 1.61 0.00 -0.17 0.00 0.00 175.17 174.99 1osa h ALA 57 N 10.22 0.80 -0.01 3.66 0.00 -1.88 -2.99 119.26 129.06 1osa h ALA 57 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1osa h ALA 57 Cb 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1osa h ALA 57 CO 1.31 0.66 -0.20 -0.40 0.00 0.00 0.00 179.25 180.63 1osa n ASP 58 N -4.13 0.73 0.00 0.00 5.68 -1.26 -4.97 116.55 112.59 1osa n ASP 58 Ca 0.01 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 1osa n ASP 58 Cb 0.42 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1osa n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1osa n GLY 59 N 1.32 0.49 0.40 6.12 0.00 -1.13 -4.91 105.19 107.48 1osa n GLY 59 Ca 0.13 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1osa n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1osa n ASN 60 N 0.81 1.20 0.00 1.61 6.94 -1.26 -4.89 115.26 119.67 1osa n ASN 60 Ca 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1osa n ASN 60 Cb 0.00 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1osa n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1osa n GLY 61 N 1.06 0.83 3.15 4.83 0.00 -1.26 -5.03 105.19 108.77 1osa n GLY 61 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1osa n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1osa s THR 62 N -2.66 0.13 -0.26 2.61 -4.23 -1.26 -4.65 115.64 105.32 1osa s THR 62 Ca 0.00 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1osa s THR 62 Cb 0.00 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1osa s THR 62 CO 0.00 -0.50 0.09 -0.63 -0.54 0.00 0.00 174.62 173.04 1osa s ILE 63 N -4.03 4.41 0.00 2.99 -1.09 -1.02 -4.80 121.20 117.66 1osa s ILE 63 Ca 0.23 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1osa s ILE 63 Cb 0.07 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1osa s ILE 63 CO 0.01 0.28 0.00 -0.90 -1.23 0.00 0.00 174.94 173.10 1osa n ASP 64 N 4.94 0.00 0.02 3.58 5.68 -1.26 -1.50 116.55 128.02 1osa n ASP 64 Ca -0.16 -0.93 -0.19 0.00 -0.50 0.00 0.00 54.79 53.01 1osa n ASP 64 Cb 0.51 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.39 1osa n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1osa h PHE 65 N -0.25 0.98 -1.00 2.11 3.57 -2.00 -2.59 116.94 117.76 1osa h PHE 65 Ca 0.00 -0.51 0.19 0.00 3.53 0.00 0.00 57.97 61.17 1osa h PHE 65 Cb 0.00 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.52 1osa h PHE 65 CO 0.00 1.35 0.61 -1.35 -2.23 0.00 0.00 178.31 176.69 1osa h PRO 66 N 0.34 0.74 -0.25 6.41 0.11 -1.97 0.20 132.00 137.58 1osa h PRO 66 Ca -0.11 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 1osa h PRO 66 Cb 1.58 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 1osa h PRO 66 CO 0.18 0.49 -0.38 0.93 -0.21 0.00 0.00 178.00 179.01 1osa h GLU 67 N 0.76 0.56 -0.03 1.05 5.08 -1.92 -2.33 114.58 117.75 1osa h GLU 67 Ca 0.57 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 58.47 1osa h GLU 67 Cb 0.89 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1osa h GLU 67 CO -0.36 0.85 -0.79 0.35 -1.00 0.00 0.00 179.01 178.07 1osa h PHE 68 N 0.46 0.35 -0.44 4.33 3.57 -0.98 -2.72 116.94 121.52 1osa h PHE 68 Ca 0.04 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1osa h PHE 68 Cb 0.87 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1osa h PHE 68 CO 0.03 0.94 0.20 -0.07 -2.23 0.00 0.00 178.31 177.18 1osa h LEU 69 N 0.16 0.58 -0.42 0.59 3.38 -0.77 -1.49 115.31 117.35 1osa h LEU 69 Ca -0.03 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1osa h LEU 69 Cb 1.37 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1osa h LEU 69 CO 0.12 0.55 -0.10 0.28 0.09 0.00 0.00 178.44 179.39 1osa h SER 70 N 0.56 -0.38 0.14 -0.43 0.02 -1.43 -2.55 113.55 109.47 1osa h SER 70 Ca 0.15 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1osa h SER 70 Cb 0.14 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1osa h SER 70 CO -0.02 -0.14 -0.19 0.25 -1.14 0.00 0.00 176.83 175.60 1osa h LEU 71 N 0.00 -0.51 -1.79 5.07 5.85 -1.39 -2.59 115.31 119.95 1osa h LEU 71 Ca 0.20 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1osa h LEU 71 Cb 0.30 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1osa h LEU 71 CO -0.43 -0.27 -0.11 0.24 -0.34 0.00 0.00 178.44 177.53 1osa h MET 72 N -0.38 0.00 0.09 1.25 2.86 -1.21 -0.99 114.93 116.56 1osa h MET 72 Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1osa h MET 72 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1osa h MET 72 CO -0.08 0.11 -0.04 0.00 1.06 0.00 0.00 176.91 177.96 1osa h ALA 73 N 1.89 -0.12 -0.33 6.32 0.00 -1.38 -2.10 119.26 123.53 1osa h ALA 73 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1osa h ALA 73 Cb 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1osa h ALA 73 CO 0.01 -0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.06 1osa h ARG 74 N -0.66 0.22 -0.11 0.00 3.08 -1.17 -2.24 114.38 113.50 1osa h ARG 74 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1osa h ARG 74 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1osa h ARG 74 CO 0.02 0.14 0.03 -0.22 -1.07 0.00 0.00 179.97 178.88 1osa h LYS 75 N 0.22 0.09 0.00 0.04 3.11 -1.23 -0.96 116.57 117.84 1osa h LYS 75 Ca 0.15 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.90 1osa h LYS 75 Cb 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1osa h LYS 75 CO -0.18 0.06 -0.44 0.52 -2.81 0.00 0.00 179.45 176.60 1osa h MET 76 N 0.09 0.00 -0.20 1.90 2.86 -1.33 0.12 114.93 118.38 1osa h MET 76 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1osa h MET 76 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1osa h MET 76 CO -0.05 0.44 0.08 -0.22 1.06 0.00 0.00 176.91 178.22 1osa h LYS 77 N 0.00 0.30 -0.68 1.72 3.64 -1.16 -1.58 116.57 118.80 1osa h LYS 77 Ca -0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1osa h LYS 77 Cb 0.95 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1osa h LYS 77 CO 0.06 0.38 0.34 0.93 -2.27 0.00 0.00 179.45 178.88 1osa h GLU 78 N 0.16 0.96 0.00 1.90 5.08 -0.78 -2.68 114.58 119.23 1osa h GLU 78 Ca 0.07 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1osa h GLU 78 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1osa h GLU 78 CO -0.00 0.73 -0.51 0.37 -1.00 0.00 0.00 179.01 178.60 1osa h GLN 79 N 0.96 0.00 0.43 2.33 4.15 -0.78 -2.12 115.11 120.08 1osa h GLN 79 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1osa h GLN 79 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1osa h GLN 79 CO -0.03 0.51 -0.21 -0.44 -1.93 0.00 0.00 178.83 176.73 1osa h ASP 80 N 0.00 -0.49 -0.00 -0.69 3.32 -0.97 -2.08 116.42 115.50 1osa h ASP 80 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1osa h ASP 80 Cb 1.00 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1osa h ASP 80 CO 0.07 -0.13 0.00 0.77 -1.72 0.00 0.00 179.24 178.23 1osa h SER 81 N -0.90 0.00 0.26 6.45 4.64 -1.42 0.19 113.55 122.76 1osa h SER 81 Ca -0.06 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 1osa h SER 81 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1osa h SER 81 CO 0.10 0.00 -0.57 -0.08 -0.87 0.00 0.00 176.83 175.40 1osa h GLU 82 N 0.00 0.32 -0.70 4.77 4.81 -1.37 -2.91 114.58 119.51 1osa h GLU 82 Ca 0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1osa h GLU 82 Cb 0.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1osa h GLU 82 CO -0.00 0.81 0.31 0.93 -0.73 0.00 0.00 179.01 180.33 1osa h GLU 83 N 0.25 1.02 0.20 1.92 5.08 0.08 -1.53 114.58 121.60 1osa h GLU 83 Ca -0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1osa h GLU 83 Cb 1.08 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1osa h GLU 83 CO 0.09 0.83 -0.12 0.93 -1.00 0.00 0.00 179.01 179.74 1osa h GLU 84 N 0.99 -0.29 -0.77 2.33 5.08 -1.39 -1.33 114.58 119.20 1osa h GLU 84 Ca 0.24 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1osa h GLU 84 Cb 0.16 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1osa h GLU 84 CO -0.03 -0.19 0.43 -0.07 -1.00 0.00 0.00 179.01 178.15 1osa h LEU 85 N -0.30 0.94 -0.83 1.33 3.38 -1.40 -0.16 115.31 118.26 1osa h LEU 85 Ca -0.02 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1osa h LEU 85 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1osa h LEU 85 CO 0.03 0.75 -0.14 0.40 0.09 0.00 0.00 178.44 179.57 1osa h ILE 86 N 1.07 1.26 -0.33 1.22 2.04 -1.20 -1.85 117.51 119.72 1osa h ILE 86 Ca 0.27 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 1osa h ILE 86 Cb 0.01 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1osa h ILE 86 CO -0.05 0.40 -0.08 -0.33 0.00 0.00 0.00 178.15 178.09 1osa h GLU 87 N 0.66 0.64 -0.23 2.37 5.08 -0.69 -2.24 114.58 120.16 1osa h GLU 87 Ca 0.11 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1osa h GLU 87 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1osa h GLU 87 CO 0.04 0.81 -0.34 0.00 -1.00 0.00 0.00 179.01 178.52 1osa h ALA 88 N 0.81 0.98 -0.63 3.43 0.00 -1.00 -2.82 119.26 120.02 1osa h ALA 88 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1osa h ALA 88 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1osa h ALA 88 CO 0.03 0.61 0.34 0.35 0.00 0.00 0.00 179.25 180.58 1osa h PHE 89 N 0.43 0.86 0.00 0.00 3.57 -1.32 -2.78 116.94 117.70 1osa h PHE 89 Ca 0.05 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1osa h PHE 89 Cb 0.80 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1osa h PHE 89 CO 0.03 0.62 -0.11 0.87 -2.23 0.00 0.00 178.31 177.49 1osa h LYS 90 N 0.85 0.00 -0.14 1.11 1.57 -1.25 -0.58 116.57 118.13 1osa h LYS 90 Ca 0.22 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1osa h LYS 90 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1osa h LYS 90 CO -0.04 0.11 -0.63 -0.39 -0.57 0.00 0.00 179.45 177.93 1osa h VAL 91 N 0.00 1.32 -0.52 0.50 -1.51 -1.38 -3.25 116.25 111.41 1osa h VAL 91 Ca -0.00 -1.88 -0.09 0.00 -1.23 0.00 0.00 66.70 63.50 1osa h VAL 91 Cb 0.69 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1osa h VAL 91 CO 0.01 0.58 -0.03 -0.26 -1.23 0.00 0.00 177.57 176.65 1osa h PHE 92 N 0.36 0.99 -0.76 5.19 0.04 -1.36 -3.35 116.94 118.05 1osa h PHE 92 Ca -0.04 -0.17 -0.72 0.00 2.80 0.00 0.00 57.97 59.85 1osa h PHE 92 Cb 1.27 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 39.06 1osa h PHE 92 CO 0.10 0.91 2.47 -3.47 -0.60 0.00 0.00 178.31 177.72 1osa n ASP 93 N -4.18 4.55 -0.18 2.17 2.03 -0.24 -4.68 116.55 116.02 1osa n ASP 93 Ca 0.02 -2.94 0.14 0.00 0.52 0.00 0.00 54.79 52.54 1osa n ASP 93 Cb 0.34 -1.62 0.48 0.00 -0.72 0.00 0.00 41.12 39.60 1osa n ASP 93 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1osa h ARG 94 N 6.38 0.46 -0.20 -0.67 3.08 -1.78 0.60 114.38 122.25 1osa h ARG 94 Ca 0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1osa h ARG 94 Cb 0.71 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1osa h ARG 94 CO 1.66 0.31 0.00 -0.40 -1.07 0.00 0.00 179.97 180.47 1osa n ASP 95 N -4.49 2.32 -1.79 7.04 5.68 -1.26 -4.95 116.55 119.10 1osa n ASP 95 Ca 0.14 -1.80 -0.18 0.00 -0.50 0.00 0.00 54.79 52.45 1osa n ASP 95 Cb 0.50 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 1osa n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1osa n GLY 96 N 1.27 0.47 0.66 6.12 0.00 0.20 -4.92 105.19 108.99 1osa n GLY 96 Ca 0.17 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1osa n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1osa n ASN 97 N -1.24 2.01 0.00 1.61 6.94 -1.26 -4.88 115.26 118.44 1osa n ASN 97 Ca -0.20 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 1osa n ASN 97 Cb 0.64 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1osa n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1osa n GLY 98 N 1.22 0.13 2.90 4.83 0.00 -1.26 -5.05 105.19 107.96 1osa n GLY 98 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1osa n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1osa s LEU 99 N 0.00 1.23 -0.26 0.99 1.43 -1.26 -4.27 118.68 116.54 1osa s LEU 99 Ca 0.00 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 1osa s LEU 99 Cb 0.00 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.63 1osa s LEU 99 CO 0.00 -0.07 1.02 -0.63 0.23 0.00 0.00 176.35 176.89 1osa s ILE 100 N 1.21 4.65 0.69 -0.59 1.01 -0.43 -4.88 121.20 122.86 1osa s ILE 100 Ca -0.06 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.45 1osa s ILE 100 Cb -0.14 -4.31 0.11 0.00 0.01 0.00 0.00 42.46 38.12 1osa s ILE 100 CO -0.02 -0.26 0.95 -0.94 0.00 0.00 0.00 174.94 174.68 1osa s SER 101 N 1.36 4.54 0.28 3.58 1.04 -1.26 -1.82 113.70 121.42 1osa s SER 101 Ca 0.43 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1osa s SER 101 Cb -0.14 -0.21 0.40 0.00 0.10 0.00 0.00 66.02 66.17 1osa s SER 101 CO 0.09 -1.72 1.79 0.00 0.98 0.00 0.00 173.24 174.38 1osa h ALA 102 N -0.42 1.17 -0.72 5.32 0.00 -1.95 -1.57 119.26 121.09 1osa h ALA 102 Ca -0.38 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1osa h ALA 102 Cb 1.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1osa h ALA 102 CO 0.43 0.54 0.21 0.00 0.00 0.00 0.00 179.25 180.43 1osa h ALA 103 N 1.32 0.94 -0.36 0.00 0.00 -1.98 -0.69 119.26 118.49 1osa h ALA 103 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1osa h ALA 103 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1osa h ALA 103 CO 0.02 0.64 -0.02 0.93 0.00 0.00 0.00 179.25 180.82 1osa h GLU 104 N 1.07 0.64 -0.11 0.00 5.08 -1.82 -1.87 114.58 117.57 1osa h GLU 104 Ca 0.23 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1osa h GLU 104 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1osa h GLU 104 CO -0.00 0.77 -0.42 1.25 -1.00 0.00 0.00 179.01 179.60 1osa h LEU 105 N 0.45 0.27 -0.38 1.33 5.85 -1.17 -2.03 115.31 119.64 1osa h LEU 105 Ca 0.10 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 1osa h LEU 105 Cb 0.49 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1osa h LEU 105 CO 0.02 0.66 -0.57 -0.09 -0.34 0.00 0.00 178.44 178.12 1osa h ARG 106 N 0.21 0.73 -0.22 1.25 2.43 -1.05 -1.67 114.38 116.06 1osa h ARG 106 Ca 0.02 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1osa h ARG 106 Cb 0.84 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1osa h ARG 106 CO 0.07 1.10 0.09 1.25 -1.51 0.00 0.00 179.97 180.97 1osa h HIS 107 N 0.55 0.33 -0.28 2.20 2.76 -1.16 -1.88 115.15 117.66 1osa h HIS 107 Ca 0.01 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 1osa h HIS 107 Cb 1.16 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 1osa h HIS 107 CO 0.06 0.36 -0.22 0.28 -1.30 0.00 0.00 177.93 177.11 1osa h VAL 108 N 0.21 1.26 -0.08 5.26 2.07 -1.34 -2.55 116.25 121.09 1osa h VAL 108 Ca 0.07 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 1osa h VAL 108 Cb 0.16 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1osa h VAL 108 CO -0.01 0.40 -0.32 0.24 0.02 0.00 0.00 177.57 177.90 1osa h MET 109 N 0.47 0.15 -0.36 1.57 2.07 -1.16 -1.53 114.93 116.14 1osa h MET 109 Ca 0.07 -0.05 -0.13 0.00 -2.07 0.00 0.00 59.70 57.52 1osa h MET 109 Cb 0.64 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.36 1osa h MET 109 CO 0.05 0.46 -0.29 1.79 1.07 0.00 0.00 176.91 179.98 1osa h THR 110 N 0.13 1.28 0.00 2.22 1.35 -1.01 0.34 112.91 117.22 1osa h THR 110 Ca 0.02 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1osa h THR 110 Cb 0.63 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1osa h THR 110 CO 0.05 0.48 -0.03 0.78 -0.25 0.00 0.00 175.52 176.55 1osa h ASN 111 N 0.63 0.00 -0.12 5.36 -0.26 -1.23 -0.28 115.58 119.68 1osa h ASN 111 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1osa h ASN 111 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1osa h ASN 111 CO 0.08 0.03 0.00 0.18 -1.06 0.00 0.00 177.43 176.65 1osa n LEU 112 N -3.18 1.20 0.00 1.61 4.77 -0.60 -4.91 117.00 115.89 1osa n LEU 112 Ca -0.01 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1osa n LEU 112 Cb 0.22 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1osa n LEU 112 CO 0.25 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1osa n GLY 113 N 1.03 0.85 3.04 -0.72 0.00 -0.12 -5.05 105.19 104.22 1osa n GLY 113 Ca 0.15 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1osa n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1osa s GLU 114 N -0.63 1.78 -0.63 1.61 0.41 0.11 -4.98 118.70 116.37 1osa s GLU 114 Ca 0.00 -1.67 -0.24 0.00 -0.41 0.00 0.00 54.97 52.65 1osa s GLU 114 Cb 0.00 -3.09 0.05 0.00 -1.78 0.00 0.00 34.13 29.32 1osa s GLU 114 CO 0.00 -0.80 1.02 0.15 -0.49 0.00 0.00 175.26 175.15 1osa s LYS 115 N 0.98 3.22 -0.06 1.61 1.02 -1.26 -2.96 119.74 122.28 1osa s LYS 115 Ca 0.03 -0.48 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1osa s LYS 115 Cb -0.19 -4.15 -0.04 0.00 -0.52 0.00 0.00 37.83 32.93 1osa s LYS 115 CO -0.07 -1.75 0.07 -0.51 -0.92 0.00 0.00 175.35 172.17 1osa s LEU 116 N 4.37 3.91 0.93 3.17 1.43 -1.26 -5.09 118.68 126.14 1osa s LEU 116 Ca 0.28 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 1osa s LEU 116 Cb -0.13 -2.06 0.15 0.00 0.03 0.00 0.00 46.19 44.17 1osa s LEU 116 CO 0.15 0.35 1.10 0.42 0.23 0.00 0.00 176.35 178.60 1osa s THR 117 N -1.04 2.34 0.42 5.49 -4.23 -1.26 -4.86 115.64 112.50 1osa s THR 117 Ca 0.17 0.11 0.14 0.00 -1.18 0.00 0.00 61.69 60.93 1osa s THR 117 Cb -0.12 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.20 1osa s THR 117 CO 0.07 -0.15 1.94 0.44 -0.54 0.00 0.00 174.62 176.39 1osa h ASP 118 N -1.63 0.02 -0.56 3.99 3.32 -1.99 -2.36 116.42 117.20 1osa h ASP 118 Ca -0.51 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 1osa h ASP 118 Cb 1.31 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1osa h ASP 118 CO 0.58 0.25 -0.06 -0.78 -1.72 0.00 0.00 179.24 177.51 1osa h ASP 119 N 0.02 1.02 -0.16 6.45 3.58 -1.99 0.86 116.42 126.21 1osa h ASP 119 Ca 0.00 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1osa h ASP 119 Cb 0.42 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1osa h ASP 119 CO 0.03 1.11 0.08 -0.33 -2.88 0.00 0.00 179.24 177.25 1osa h GLU 120 N 0.92 0.23 -0.41 0.28 5.08 -1.85 -2.19 114.58 116.64 1osa h GLU 120 Ca 0.15 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1osa h GLU 120 Cb 0.62 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1osa h GLU 120 CO 0.04 0.26 -0.08 0.28 -1.00 0.00 0.00 179.01 178.51 1osa h VAL 121 N 0.14 1.25 -0.20 3.13 2.07 -1.38 -1.89 116.25 119.37 1osa h VAL 121 Ca 0.06 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1osa h VAL 121 Cb 0.11 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1osa h VAL 121 CO -0.01 0.37 -0.16 0.44 0.02 0.00 0.00 177.57 178.23 1osa h ASP 122 N 0.65 0.32 -0.43 0.57 3.32 -0.66 -1.84 116.42 118.35 1osa h ASP 122 Ca 0.12 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1osa h ASP 122 Cb 0.52 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1osa h ASP 122 CO 0.03 0.51 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.72 1osa h GLU 123 N 0.31 0.93 -0.69 3.56 4.81 -0.95 -1.34 114.58 121.22 1osa h GLU 123 Ca 0.06 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1osa h GLU 123 Cb 0.47 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1osa h GLU 123 CO 0.03 1.09 0.26 0.52 -0.73 0.00 0.00 179.01 180.17 1osa h MET 124 N 0.77 1.02 -0.32 1.92 2.86 -0.91 -2.24 114.93 118.03 1osa h MET 124 Ca 0.09 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1osa h MET 124 Cb 0.83 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1osa h MET 124 CO 0.07 0.84 -0.34 0.82 1.06 0.00 0.00 176.91 179.37 1osa h ILE 125 N 1.00 1.29 -0.42 -1.22 2.04 -1.33 -3.24 117.51 115.64 1osa h ILE 125 Ca 0.23 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 1osa h ILE 125 Cb 0.22 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1osa h ILE 125 CO -0.02 0.49 0.02 -0.09 0.00 0.00 0.00 178.15 178.55 1osa h ARG 126 N 0.56 0.66 0.00 2.37 2.43 -0.82 0.25 114.38 119.83 1osa h ARG 126 Ca 0.05 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1osa h ARG 126 Cb 0.92 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1osa h ARG 126 CO 0.08 0.66 -0.28 0.93 -1.51 0.00 0.00 179.97 179.86 1osa h GLU 127 N 0.63 0.00 0.00 0.20 5.08 -1.46 -3.20 114.58 115.83 1osa h GLU 127 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1osa h GLU 127 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1osa h GLU 127 CO 0.01 0.28 -2.04 0.00 -1.00 0.00 0.00 179.01 176.26 1osa n ALA 128 N -2.37 2.41 -2.53 3.43 0.00 -0.55 -4.92 120.51 115.99 1osa n ALA 128 Ca -0.01 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 1osa n ALA 128 Cb 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1osa n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1osa s ASP 129 N -4.86 7.21 -0.15 0.00 2.15 0.79 -4.82 116.67 116.98 1osa s ASP 129 Ca -0.08 1.87 -0.03 0.00 0.43 0.00 0.00 52.55 54.74 1osa s ASP 129 Cb 0.11 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 40.08 1osa s ASP 129 CO 0.88 -0.37 -0.17 -0.38 -0.17 0.00 0.00 175.17 174.96 1osa n ILE 130 N 3.86 0.87 1.85 4.11 5.41 -1.26 -4.68 119.36 129.52 1osa n ILE 130 Ca 0.07 -0.28 0.14 0.00 1.00 0.00 0.00 62.75 63.69 1osa n ILE 130 Cb 0.48 -1.36 0.76 0.00 -0.71 0.00 0.00 39.64 38.82 1osa n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1osa n ASP 131 N -3.31 0.40 -0.25 4.38 5.68 -1.26 -4.95 116.55 117.25 1osa n ASP 131 Ca -0.29 -1.22 -0.03 0.00 -0.50 0.00 0.00 54.79 52.75 1osa n ASP 131 Cb 0.75 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.71 1osa n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1osa n GLY 132 N 1.01 0.64 0.55 6.12 0.00 -1.26 -4.91 105.19 107.34 1osa n GLY 132 Ca 0.21 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1osa n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1osa n ASP 133 N 0.86 1.70 -0.50 1.61 5.75 -1.26 -4.92 116.55 119.79 1osa n ASP 133 Ca -0.03 -1.62 -0.06 0.00 -0.01 0.00 0.00 54.79 53.06 1osa n ASP 133 Cb 0.14 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1osa n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1osa n GLY 134 N 1.17 0.77 3.49 6.12 0.00 -1.26 -5.00 105.19 110.48 1osa n GLY 134 Ca 0.18 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1osa n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1osa s HIS 135 N -1.89 2.33 -0.35 1.61 3.76 -1.26 -4.54 115.29 114.95 1osa s HIS 135 Ca 0.00 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.48 1osa s HIS 135 Cb 0.00 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1osa s HIS 135 CO 0.00 0.70 0.18 0.42 -0.85 0.00 0.00 174.74 175.19 1osa s ILE 136 N -2.50 4.53 0.28 0.60 1.01 -0.75 -4.77 121.20 119.60 1osa s ILE 136 Ca 0.30 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1osa s ILE 136 Cb -0.05 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.04 1osa s ILE 136 CO 0.15 -0.11 0.38 -0.46 0.00 0.00 0.00 174.94 174.90 1osa n ASN 137 N 4.98 0.28 -0.06 3.58 2.04 -1.26 -1.31 115.26 123.51 1osa n ASN 137 Ca -0.13 -1.29 -0.13 0.00 -0.44 0.00 0.00 54.58 52.59 1osa n ASN 137 Cb 0.47 -0.26 -0.01 0.00 -2.53 0.00 0.00 39.78 37.45 1osa n ASN 137 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1osa h TYR 138 N -0.77 0.99 -0.15 -2.53 3.20 -1.99 -0.64 116.97 115.08 1osa h TYR 138 Ca -0.12 -0.35 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 1osa h TYR 138 Cb 0.40 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1osa h TYR 138 CO 0.00 1.15 0.09 1.49 -1.64 0.00 0.00 178.16 179.25 1osa h GLU 139 N 0.62 0.21 -0.38 1.82 4.81 -1.96 0.10 114.58 119.79 1osa h GLU 139 Ca 0.02 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1osa h GLU 139 Cb 1.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1osa h GLU 139 CO 0.11 0.18 0.06 0.93 -0.73 0.00 0.00 179.01 179.57 1osa h GLU 140 N 0.17 0.58 -0.30 1.92 5.08 -1.84 -2.34 114.58 117.84 1osa h GLU 140 Ca 0.05 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1osa h GLU 140 Cb 0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1osa h GLU 140 CO -0.01 0.55 0.14 0.35 -1.00 0.00 0.00 179.01 179.04 1osa h PHE 141 N 0.56 0.45 -0.49 4.33 3.57 -0.48 -2.47 116.94 122.41 1osa h PHE 141 Ca 0.13 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1osa h PHE 141 Cb 0.26 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1osa h PHE 141 CO 0.01 0.41 0.02 -0.39 -2.23 0.00 0.00 178.31 176.13 1osa h VAL 142 N 0.35 1.26 -0.66 1.41 -1.51 -0.66 -1.89 116.25 114.54 1osa h VAL 142 Ca 0.10 -1.03 0.05 0.00 -1.23 0.00 0.00 66.70 64.59 1osa h VAL 142 Cb 0.14 0.97 -0.04 0.00 -2.13 0.00 0.00 31.29 30.23 1osa h VAL 142 CO -0.01 0.36 0.44 0.03 -1.23 0.00 0.00 177.57 177.16 1osa h ARG 143 N 0.71 0.71 -0.19 5.19 3.08 -1.42 -1.34 114.38 121.11 1osa h ARG 143 Ca 0.14 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.95 1osa h ARG 143 Cb 0.48 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1osa h ARG 143 CO 0.02 0.47 -0.67 0.52 -1.07 0.00 0.00 179.97 179.24 1osa h MET 144 N 0.73 0.74 -0.22 0.04 2.86 -1.32 -3.32 114.93 114.45 1osa h MET 144 Ca 0.28 -0.54 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 1osa h MET 144 Cb 0.17 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1osa h MET 144 CO -0.08 1.16 -0.55 0.52 1.06 0.00 0.00 176.91 179.02 1osa h MET 145 N 0.54 0.67 0.00 1.72 2.86 -0.52 -3.10 114.93 117.10 1osa h MET 145 Ca -0.02 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1osa h MET 145 Cb 1.27 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1osa h MET 145 CO 0.14 1.04 0.00 1.33 1.06 0.00 0.00 176.91 180.48 1osa n VAL 146 N -3.97 0.62 0.00 -2.22 0.24 -0.58 -4.84 118.33 107.57 1osa n VAL 146 Ca -0.04 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1osa n VAL 146 Cb 0.61 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1osa n VAL 146 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1osa n SER 147 N -1.92 0.00 0.00 -1.34 7.64 -1.18 -5.10 113.62 111.72 1osa n SER 147 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1osa n SER 147 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1osa n SER 147 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32