#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o60 n ASP 2 N 0.00 -0.24 -4.67 0.00 8.00 -1.26 -4.07 116.55 114.32 2o60 n ASP 2 Ca 0.00 0.43 -0.26 0.00 0.71 0.00 0.00 54.79 55.67 2o60 n ASP 2 Cb 0.00 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 2o60 n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o60 s GLN 3 N -5.14 2.43 0.63 -1.24 -1.52 -1.26 -5.13 119.66 108.43 2o60 s GLN 3 Ca -0.03 -1.13 -0.10 0.00 -1.95 0.00 0.00 55.36 52.15 2o60 s GLN 3 Cb 0.03 -2.35 -0.02 0.00 -0.22 0.00 0.00 33.01 30.45 2o60 s GLN 3 CO 0.15 0.44 1.02 -0.51 -0.25 0.00 0.00 175.29 176.14 2o60 s LEU 4 N -3.06 3.17 0.60 2.90 1.43 -1.26 -5.08 118.68 117.38 2o60 s LEU 4 Ca 0.28 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2o60 s LEU 4 Cb -0.09 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2o60 s LEU 4 CO 0.19 -1.00 1.01 0.42 0.23 0.00 0.00 176.35 177.21 2o60 s THR 5 N -3.18 4.70 0.37 5.49 -4.23 -1.26 -4.96 115.64 112.57 2o60 s THR 5 Ca 0.55 0.89 0.07 0.00 -1.18 0.00 0.00 61.69 62.02 2o60 s THR 5 Cb -0.11 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 70.05 2o60 s THR 5 CO 0.52 -1.08 1.92 -0.33 -0.54 0.00 0.00 174.62 175.11 2o60 h GLU 6 N -0.15 0.41 -0.69 3.99 5.08 -1.99 -1.51 114.58 119.73 2o60 h GLU 6 Ca -0.44 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 2o60 h GLU 6 Cb 1.19 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2o60 h GLU 6 CO 0.62 0.45 0.23 1.49 -1.00 0.00 0.00 179.01 180.79 2o60 h GLU 7 N 0.40 1.06 -0.15 2.33 4.81 -1.99 -0.02 114.58 121.02 2o60 h GLU 7 Ca 0.09 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2o60 h GLU 7 Cb 0.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2o60 h GLU 7 CO 0.01 0.91 0.07 1.96 -0.73 0.00 0.00 179.01 181.23 2o60 h GLN 8 N 1.00 0.21 -0.69 1.92 4.20 -1.82 -1.77 115.11 118.16 2o60 h GLN 8 Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2o60 h GLN 8 Cb 0.28 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2o60 h GLN 8 CO -0.01 0.26 0.39 0.82 -0.67 0.00 0.00 178.83 179.62 2o60 h ILE 9 N 0.12 1.21 -0.79 2.54 2.04 -1.04 -1.54 117.51 120.05 2o60 h ILE 9 Ca 0.05 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2o60 h ILE 9 Cb 0.11 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2o60 h ILE 9 CO -0.01 0.23 0.52 0.00 0.00 0.00 0.00 178.15 178.90 2o60 h ALA 10 N 1.20 1.01 -0.48 1.87 0.00 -0.84 0.41 119.26 122.43 2o60 h ALA 10 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2o60 h ALA 10 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2o60 h ALA 10 CO -0.04 0.40 0.32 0.93 0.00 0.00 0.00 179.25 180.86 2o60 h GLU 11 N 1.06 0.63 -0.66 0.00 5.08 -0.88 -0.33 114.58 119.49 2o60 h GLU 11 Ca 0.29 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2o60 h GLU 11 Cb -0.10 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2o60 h GLU 11 CO -0.07 0.42 0.23 0.74 -1.00 0.00 0.00 179.01 179.33 2o60 h PHE 12 N 0.65 1.04 -0.81 4.33 0.04 -0.68 -1.94 116.94 119.56 2o60 h PHE 12 Ca 0.18 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2o60 h PHE 12 Cb -0.07 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 37.73 2o60 h PHE 12 CO -0.04 0.83 0.53 0.87 -0.60 0.00 0.00 178.31 179.89 2o60 h LYS 13 N 0.95 1.01 -0.20 1.51 1.57 -0.57 -0.73 116.57 120.11 2o60 h LYS 13 Ca 0.22 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2o60 h LYS 13 Cb 0.26 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 2o60 h LYS 13 CO -0.01 0.67 -0.13 0.93 -0.57 0.00 0.00 179.45 180.33 2o60 h GLU 14 N 1.04 -0.13 -0.23 3.15 5.08 -0.80 0.13 114.58 122.83 2o60 h GLU 14 Ca 0.32 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2o60 h GLU 14 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2o60 h GLU 14 CO -0.10 -0.08 0.12 0.00 -1.00 0.00 0.00 179.01 177.94 2o60 h ALA 15 N 1.01 0.29 -0.37 3.43 0.00 -1.01 -2.22 119.26 120.39 2o60 h ALA 15 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2o60 h ALA 15 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2o60 h ALA 15 CO -0.28 -0.17 -0.03 0.35 0.00 0.00 0.00 179.25 179.12 2o60 h PHE 16 N 0.25 0.74 -0.11 0.00 3.57 -0.98 -3.07 116.94 117.34 2o60 h PHE 16 Ca 0.08 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2o60 h PHE 16 Cb 0.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2o60 h PHE 16 CO -0.03 0.79 -0.05 0.77 -2.23 0.00 0.00 178.31 177.56 2o60 h SER 17 N 0.48 0.14 -0.96 0.41 0.02 -0.66 0.77 113.55 113.75 2o60 h SER 17 Ca 0.10 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2o60 h SER 17 Cb 0.52 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 2o60 h SER 17 CO 0.03 0.22 0.62 0.25 -1.14 0.00 0.00 176.83 176.81 2o60 h LEU 18 N 0.16 0.97 0.10 5.07 5.85 -1.30 -3.05 115.31 123.10 2o60 h LEU 18 Ca 0.04 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.45 2o60 h LEU 18 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2o60 h LEU 18 CO 0.01 0.60 -1.74 -0.26 -0.34 0.00 0.00 178.44 176.71 2o60 h PHE 19 N 1.09 0.37 -0.21 1.25 0.04 -1.35 -3.39 116.94 114.74 2o60 h PHE 19 Ca 0.42 -0.27 -0.71 0.00 2.80 0.00 0.00 57.97 60.21 2o60 h PHE 19 Cb 0.23 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 2o60 h PHE 19 CO -0.00 1.44 2.95 -3.47 -0.60 0.00 0.00 178.31 178.64 2o60 n ASP 20 N -3.37 4.08 -0.29 2.17 2.03 0.18 -4.52 116.55 116.82 2o60 n ASP 20 Ca -0.22 -2.87 0.13 0.00 0.52 0.00 0.00 54.79 52.35 2o60 n ASP 20 Cb 1.05 -1.65 0.38 0.00 -0.72 0.00 0.00 41.12 40.18 2o60 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2o60 h LYS 21 N 6.12 0.65 -0.08 -0.67 1.57 -1.77 -1.39 116.57 121.00 2o60 h LYS 21 Ca 0.54 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2o60 h LYS 21 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2o60 h LYS 21 CO 1.83 0.43 0.00 -0.40 -0.57 0.00 0.00 179.45 180.74 2o60 n ASP 22 N -4.59 1.82 -0.72 0.86 5.68 -1.26 -4.96 116.55 113.37 2o60 n ASP 22 Ca 0.19 -1.64 -0.09 0.00 -0.50 0.00 0.00 54.79 52.74 2o60 n ASP 22 Cb 0.52 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 2o60 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2o60 n GLY 23 N 1.20 1.09 0.23 6.12 0.00 -0.52 -4.89 105.19 108.41 2o60 n GLY 23 Ca 0.18 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.91 2o60 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2o60 n ASP 24 N 0.08 0.76 0.00 1.61 5.75 -1.26 -4.91 116.55 118.58 2o60 n ASP 24 Ca -0.09 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 2o60 n ASP 24 Cb 0.35 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 2o60 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o60 n GLY 25 N 1.15 0.54 3.02 6.12 0.00 -1.26 -5.04 105.19 109.72 2o60 n GLY 25 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2o60 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o60 s THR 26 N -2.26 0.60 -0.25 2.61 -4.23 -1.26 -4.30 115.64 106.54 2o60 s THR 26 Ca 0.00 -0.58 -0.10 0.00 -1.18 0.00 0.00 61.69 59.82 2o60 s THR 26 Cb 0.00 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.24 2o60 s THR 26 CO 0.00 -0.01 0.16 -0.63 -0.54 0.00 0.00 174.62 173.59 2o60 s ILE 27 N -0.57 5.22 0.52 2.99 1.01 0.31 -4.85 121.20 125.83 2o60 s ILE 27 Ca -0.01 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.82 2o60 s ILE 27 Cb -0.05 -3.45 0.04 0.00 0.01 0.00 0.00 42.46 39.01 2o60 s ILE 27 CO 0.00 0.31 0.72 0.42 0.00 0.00 0.00 174.94 176.39 2o60 s THR 28 N 1.34 2.68 0.37 2.92 -4.23 -1.26 -1.31 115.64 116.15 2o60 s THR 28 Ca 0.07 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 2o60 s THR 28 Cb -0.15 -2.84 0.20 0.00 1.34 0.00 0.00 72.50 71.05 2o60 s THR 28 CO 0.07 0.00 1.96 0.71 -0.54 0.00 0.00 174.62 176.81 2o60 h THR 29 N 0.25 1.16 0.13 3.99 1.35 -1.93 -0.31 112.91 117.55 2o60 h THR 29 Ca -0.39 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 2o60 h THR 29 Cb 1.29 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2o60 h THR 29 CO 0.47 0.20 -0.06 0.50 -0.25 0.00 0.00 175.52 176.37 2o60 h LYS 30 N 0.51 -0.17 -0.35 4.72 3.64 -1.99 0.03 116.57 122.95 2o60 h LYS 30 Ca 0.12 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2o60 h LYS 30 Cb 0.17 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2o60 h LYS 30 CO -0.01 -0.10 0.06 0.93 -2.27 0.00 0.00 179.45 178.06 2o60 h GLU 31 N -0.19 0.59 -0.34 1.90 5.08 -1.78 -1.34 114.58 118.50 2o60 h GLU 31 Ca -0.02 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2o60 h GLU 31 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2o60 h GLU 31 CO 0.03 0.66 0.14 1.25 -1.00 0.00 0.00 179.01 180.09 2o60 h LEU 32 N 0.42 0.18 -0.41 1.33 5.85 -0.99 -1.68 115.31 120.02 2o60 h LEU 32 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2o60 h LEU 32 Cb 0.36 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2o60 h LEU 32 CO 0.01 0.14 0.19 1.23 -0.34 0.00 0.00 178.44 179.67 2o60 h GLY 33 N 0.30 0.64 0.97 3.75 0.00 -0.92 -0.38 103.07 107.43 2o60 h GLY 33 Ca 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2o60 h GLY 33 CO -0.13 0.31 0.22 -0.84 0.00 0.00 0.00 176.54 176.10 2o60 h THR 34 N 0.53 1.07 -0.22 4.70 2.02 -0.90 -1.43 112.91 118.67 2o60 h THR 34 Ca 0.14 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2o60 h THR 34 Cb 0.13 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2o60 h THR 34 CO -0.02 0.08 -0.03 0.58 0.37 0.00 0.00 175.52 176.50 2o60 h VAL 35 N 0.44 1.27 -0.96 3.16 2.07 -1.26 -2.51 116.25 118.47 2o60 h VAL 35 Ca 0.13 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.77 2o60 h VAL 35 Cb -0.03 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 2o60 h VAL 35 CO -0.04 0.30 0.61 0.24 0.02 0.00 0.00 177.57 178.70 2o60 h MET 36 N 0.15 0.95 -0.67 1.57 2.86 -0.91 -1.55 114.93 117.33 2o60 h MET 36 Ca 0.06 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2o60 h MET 36 Cb 0.46 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2o60 h MET 36 CO 0.02 0.63 0.28 0.00 1.06 0.00 0.00 176.91 178.90 2o60 h ARG 37 N 0.98 1.00 -0.05 1.72 3.08 -1.18 -1.11 114.38 118.81 2o60 h ARG 37 Ca 0.45 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2o60 h ARG 37 Cb 0.40 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2o60 h ARG 37 CO -0.21 0.83 0.04 0.77 -1.07 0.00 0.00 179.97 180.32 2o60 h SER 38 N 0.95 0.05 -0.48 7.04 0.02 -0.85 -2.89 113.55 117.39 2o60 h SER 38 Ca 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2o60 h SER 38 Cb 0.19 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2o60 h SER 38 CO -0.02 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 2o60 n LEU 39 N -4.53 4.79 0.00 5.07 4.77 -0.70 -4.92 117.00 121.48 2o60 n LEU 39 Ca -0.02 -2.81 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 2o60 n LEU 39 Cb 0.10 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2o60 n LEU 39 CO 0.34 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2o60 n GLY 40 N 0.35 1.02 3.71 -0.72 0.00 -0.84 -4.98 105.19 103.74 2o60 n GLY 40 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 2o60 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o60 s GLN 41 N -0.96 2.23 -0.38 1.61 -1.52 -0.51 -5.01 119.66 115.12 2o60 s GLN 41 Ca 0.00 -1.75 0.11 0.00 -1.95 0.00 0.00 55.36 51.77 2o60 s GLN 41 Cb 0.00 -2.02 0.32 0.00 -0.22 0.00 0.00 33.01 31.09 2o60 s GLN 41 CO 0.00 -0.01 0.69 -1.71 -0.25 0.00 0.00 175.29 174.01 2o60 n ASN 42 N -1.16 0.55 -4.77 5.90 5.15 -1.26 -3.68 115.26 115.98 2o60 n ASN 42 Ca -0.02 -2.95 -0.36 0.00 -0.60 0.00 0.00 54.58 50.65 2o60 n ASN 42 Cb 0.63 -0.54 -0.01 0.00 -0.53 0.00 0.00 39.78 39.34 2o60 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2o60 s PRO 43 N -2.01 3.58 0.68 1.20 0.04 -1.26 -5.03 135.00 132.20 2o60 s PRO 43 Ca 0.38 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 2o60 s PRO 43 Cb 0.30 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2o60 s PRO 43 CO -0.09 -0.68 1.08 0.95 0.04 0.00 0.00 177.00 178.30 2o60 s THR 44 N -1.66 3.85 0.25 1.26 -4.23 -1.26 -4.89 115.64 108.95 2o60 s THR 44 Ca 0.68 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.75 2o60 s THR 44 Cb -0.26 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.21 2o60 s THR 44 CO 0.30 -0.78 1.78 -0.08 -0.54 0.00 0.00 174.62 175.30 2o60 h GLU 45 N -0.55 0.65 -0.62 3.99 4.57 -1.98 -0.62 114.58 120.03 2o60 h GLU 45 Ca -0.45 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2o60 h GLU 45 Cb 1.23 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2o60 h GLU 45 CO 0.63 0.43 0.17 0.00 -1.18 0.00 0.00 179.01 179.06 2o60 h ALA 46 N 1.51 0.81 -0.88 2.92 0.00 -1.99 -0.31 119.26 121.32 2o60 h ALA 46 Ca 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2o60 h ALA 46 Cb 0.53 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2o60 h ALA 46 CO -0.32 0.51 0.51 0.93 0.00 0.00 0.00 179.25 180.88 2o60 h GLU 47 N 0.89 1.20 -0.28 0.00 5.08 -1.70 0.49 114.58 120.27 2o60 h GLU 47 Ca 0.20 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2o60 h GLU 47 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2o60 h GLU 47 CO -0.00 0.86 0.07 -0.07 -1.00 0.00 0.00 179.01 178.87 2o60 h LEU 48 N 1.21 0.43 -1.07 1.33 3.38 -0.38 -1.97 115.31 118.24 2o60 h LEU 48 Ca 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2o60 h LEU 48 Cb -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2o60 h LEU 48 CO -0.06 0.55 0.40 -0.61 0.09 0.00 0.00 178.44 178.81 2o60 h GLN 49 N 0.29 1.05 -0.88 1.13 5.75 -0.65 -1.64 115.11 120.14 2o60 h GLN 49 Ca 0.09 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2o60 h GLN 49 Cb 0.29 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2o60 h GLN 49 CO 0.00 0.78 0.58 -0.44 -2.65 0.00 0.00 178.83 177.10 2o60 h ASP 50 N 1.05 0.96 -0.49 -0.69 3.32 -0.64 0.37 116.42 120.30 2o60 h ASP 50 Ca 0.26 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2o60 h ASP 50 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2o60 h ASP 50 CO -0.04 0.66 0.21 0.24 -1.72 0.00 0.00 179.24 178.59 2o60 h MET 51 N 1.11 0.73 -0.24 3.56 2.86 -0.64 -2.52 114.93 119.79 2o60 h MET 51 Ca 0.35 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2o60 h MET 51 Cb 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2o60 h MET 51 CO -0.10 0.63 0.01 0.82 1.06 0.00 0.00 176.91 179.34 2o60 h ILE 52 N 0.65 1.25 -0.83 -1.22 2.04 -0.91 -3.14 117.51 115.35 2o60 h ILE 52 Ca 0.17 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.25 2o60 h ILE 52 Cb 0.16 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2o60 h ILE 52 CO -0.02 0.27 0.54 0.78 0.00 0.00 0.00 178.15 179.72 2o60 h ASN 53 N 0.19 0.78 -0.48 1.72 2.35 -0.79 -0.04 115.58 119.32 2o60 h ASN 53 Ca 0.07 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2o60 h ASN 53 Cb 0.38 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2o60 h ASN 53 CO 0.01 0.49 0.32 -0.33 -1.65 0.00 0.00 177.43 176.27 2o60 h GLU 54 N 0.88 0.56 -0.08 0.81 5.08 -1.40 -3.11 114.58 117.31 2o60 h GLU 54 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2o60 h GLU 54 Cb 0.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2o60 h GLU 54 CO -0.14 0.37 0.00 1.33 -1.00 0.00 0.00 179.01 179.57 2o60 n VAL 55 N -4.47 0.43 -2.34 3.13 0.24 -0.77 -4.86 118.33 109.68 2o60 n VAL 55 Ca 0.05 -0.71 -0.43 0.00 -2.04 0.00 0.00 64.34 61.21 2o60 n VAL 55 Cb 0.11 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2o60 n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2o60 n ASP 56 N 0.22 4.74 0.20 -1.34 2.03 -0.10 -4.76 116.55 117.54 2o60 n ASP 56 Ca 0.05 -2.97 0.06 0.00 0.52 0.00 0.00 54.79 52.45 2o60 n ASP 56 Cb 0.23 -1.60 0.54 0.00 -0.72 0.00 0.00 41.12 39.57 2o60 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2o60 h ALA 57 N 6.47 1.82 -0.19 -1.67 0.00 -1.88 -1.24 119.26 122.56 2o60 h ALA 57 Ca 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2o60 h ALA 57 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2o60 h ALA 57 CO 1.59 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 180.58 2o60 n ASP 58 N -4.44 2.51 -0.21 0.00 5.75 -1.26 -4.95 116.55 113.96 2o60 n ASP 58 Ca -0.02 -1.83 -0.03 0.00 -0.01 0.00 0.00 54.79 52.90 2o60 n ASP 58 Cb 0.15 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 2o60 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o60 n GLY 59 N 1.31 0.45 0.18 6.12 0.00 -0.47 -4.88 105.19 107.90 2o60 n GLY 59 Ca 0.17 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2o60 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2o60 n ASN 60 N -0.49 0.55 0.00 1.61 6.94 -1.26 -4.91 115.26 117.70 2o60 n ASN 60 Ca -0.03 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.26 2o60 n ASN 60 Cb 0.33 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2o60 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2o60 n GLY 61 N 1.02 0.83 3.27 4.83 0.00 -1.26 -5.02 105.19 108.86 2o60 n GLY 61 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2o60 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o60 s THR 62 N -3.22 0.50 -0.26 2.61 -4.23 -1.26 -4.79 115.64 104.97 2o60 s THR 62 Ca 0.00 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 2o60 s THR 62 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 2o60 s THR 62 CO 0.00 -0.17 0.09 -0.63 -0.54 0.00 0.00 174.62 173.38 2o60 s ILE 63 N -3.79 4.44 0.39 2.99 1.01 -0.42 -4.86 121.20 120.95 2o60 s ILE 63 Ca 0.33 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2o60 s ILE 63 Cb 0.07 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.50 2o60 s ILE 63 CO 0.10 0.28 0.54 -0.90 0.00 0.00 0.00 174.94 174.95 2o60 n ASP 64 N 4.94 1.00 0.18 3.58 5.68 -1.26 -0.53 116.55 130.15 2o60 n ASP 64 Ca -0.16 -1.78 -0.15 0.00 -0.50 0.00 0.00 54.79 52.21 2o60 n ASP 64 Cb 0.51 -0.32 -0.08 0.00 -1.14 0.00 0.00 41.12 40.09 2o60 n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2o60 h PHE 65 N -0.25 -0.37 -0.06 2.11 3.57 -2.00 0.40 116.94 120.34 2o60 h PHE 65 Ca -0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2o60 h PHE 65 Cb 0.73 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2o60 h PHE 65 CO 0.00 -0.21 -0.20 -1.00 -2.23 0.00 0.00 178.31 174.67 2o60 h PRO 66 N -0.43 0.09 -0.59 6.41 0.13 -1.97 -0.95 132.00 134.68 2o60 h PRO 66 Ca -0.04 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2o60 h PRO 66 Cb 0.33 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2o60 h PRO 66 CO 0.07 0.29 0.06 0.93 -0.23 0.00 0.00 178.00 179.12 2o60 h GLU 67 N 0.09 0.97 -0.55 0.86 5.08 -1.75 -1.63 114.58 117.65 2o60 h GLU 67 Ca 0.02 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2o60 h GLU 67 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2o60 h GLU 67 CO 0.03 0.92 -0.07 0.35 -1.00 0.00 0.00 179.01 179.24 2o60 h PHE 68 N 0.91 1.12 -0.96 4.33 3.57 -0.20 -0.39 116.94 125.33 2o60 h PHE 68 Ca 0.18 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2o60 h PHE 68 Cb 0.44 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 2o60 h PHE 68 CO 0.03 1.02 0.63 -0.07 -2.23 0.00 0.00 178.31 177.69 2o60 h LEU 69 N 0.91 1.00 -0.79 0.59 3.38 -0.82 -0.95 115.31 118.64 2o60 h LEU 69 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2o60 h LEU 69 Cb 0.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2o60 h LEU 69 CO 0.04 0.66 -0.21 0.74 0.09 0.00 0.00 178.44 179.76 2o60 h THR 70 N 1.15 1.27 -0.70 0.22 2.02 -0.76 -0.75 112.91 115.36 2o60 h THR 70 Ca 0.40 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2o60 h THR 70 Cb 0.12 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2o60 h THR 70 CO -0.15 0.43 0.41 -0.03 0.37 0.00 0.00 175.52 176.55 2o60 h MET 71 N 0.60 0.96 -0.20 6.66 -1.53 0.07 -1.69 114.93 119.81 2o60 h MET 71 Ca 0.09 -0.09 -0.04 0.00 -3.44 0.00 0.00 59.70 56.21 2o60 h MET 71 Cb 0.69 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 2o60 h MET 71 CO 0.05 0.69 -0.03 0.52 0.14 0.00 0.00 176.91 178.28 2o60 h MET 72 N 0.96 0.37 -0.99 0.39 2.86 -1.08 -1.72 114.93 115.73 2o60 h MET 72 Ca 0.25 -0.13 0.19 0.00 -2.06 0.00 0.00 59.70 57.95 2o60 h MET 72 Cb -0.01 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.53 2o60 h MET 72 CO -0.05 0.61 0.61 0.00 1.06 0.00 0.00 176.91 179.14 2o60 h ALA 73 N 0.75 1.78 0.00 6.32 0.00 -0.83 -0.80 119.26 126.48 2o60 h ALA 73 Ca 0.05 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 2o60 h ALA 73 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2o60 h ALA 73 CO 0.02 -0.13 -1.09 0.00 0.00 0.00 0.00 179.25 178.04 2o60 h ARG 74 N 0.70 0.00 0.05 0.00 3.08 -1.16 -3.38 114.38 113.67 2o60 h ARG 74 Ca 0.55 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.24 2o60 h ARG 74 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 2o60 h ARG 74 CO -0.33 0.89 -2.17 1.63 -1.07 0.00 0.00 179.97 178.92 2o60 n LYS 75 N -3.29 0.69 0.00 0.04 4.76 -0.66 -4.87 118.16 114.83 2o60 n LYS 75 Ca -0.03 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2o60 n LYS 75 Cb 0.95 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 2o60 n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2o60 n MET 76 N -3.24 0.00 0.00 1.97 2.81 -0.34 -4.95 117.12 113.37 2o60 n MET 76 Ca -0.34 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 2o60 n MET 76 Cb 1.05 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.56 2o60 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2o60 n LYS 77 N 0.00 0.00 0.00 0.03 3.00 -1.26 -4.85 118.16 115.08 2o60 n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2o60 n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2o60 n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2o60 n ASP 78 N 3.20 0.00 -0.25 3.14 5.68 -1.26 -5.14 116.55 121.92 2o60 n ASP 78 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2o60 n ASP 78 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2o60 n ASP 78 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2o60 n THR 79 N 0.00 0.00 -2.77 2.12 5.66 -1.26 -4.93 114.28 113.10 2o60 n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2o60 n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2o60 n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2o60 n ASP 80 N -3.15 -6.41 0.00 1.09 8.00 -1.26 -3.51 116.55 111.31 2o60 n ASP 80 Ca 0.00 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.17 2o60 n ASP 80 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 2o60 n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2o60 n SER 81 N 1.98 0.00 0.00 -2.24 3.41 -1.26 -4.98 113.62 110.53 2o60 n SER 81 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2o60 n SER 81 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2o60 n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2o60 n GLU 82 N 0.00 0.00 -4.23 4.33 2.13 -1.23 -4.88 120.64 116.76 2o60 n GLU 82 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2o60 n GLU 82 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 2o60 n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2o60 n GLU 83 N 0.00 -3.17 -1.71 5.31 4.71 -1.26 -4.80 120.64 119.73 2o60 n GLU 83 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 2o60 n GLU 83 Cb 0.00 -5.11 0.06 0.00 -1.01 0.00 0.00 31.44 25.38 2o60 n GLU 83 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2o60 n GLU 84 N -4.38 1.12 0.23 3.49 4.07 -1.26 -4.72 120.64 119.18 2o60 n GLU 84 Ca 0.08 -2.85 0.17 0.00 -0.06 0.00 0.00 57.16 54.50 2o60 n GLU 84 Cb 0.49 -0.95 0.86 0.00 -0.06 0.00 0.00 31.44 31.78 2o60 n GLU 84 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2o60 h ILE 85 N 4.98 0.42 -0.84 6.31 2.04 -1.99 -2.00 117.51 126.42 2o60 h ILE 85 Ca -0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.86 2o60 h ILE 85 Cb 1.53 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 2o60 h ILE 85 CO 0.17 0.00 0.54 -0.09 0.00 0.00 0.00 178.15 178.77 2o60 h ARG 86 N 0.00 0.77 -0.26 2.37 9.65 -1.98 1.01 114.38 125.93 2o60 h ARG 86 Ca 0.07 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.73 2o60 h ARG 86 Cb 0.42 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2o60 h ARG 86 CO -0.00 0.51 -0.50 0.93 2.80 0.00 0.00 179.97 183.71 2o60 h GLU 87 N 0.79 0.80 -0.18 0.20 5.08 -1.74 -1.13 114.58 118.39 2o60 h GLU 87 Ca 0.39 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2o60 h GLU 87 Cb 0.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2o60 h GLU 87 CO -0.16 1.14 0.09 0.00 -1.00 0.00 0.00 179.01 179.08 2o60 h ALA 88 N 0.65 0.23 -0.83 3.43 0.00 -1.18 -1.62 119.26 119.94 2o60 h ALA 88 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2o60 h ALA 88 Cb 1.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2o60 h ALA 88 CO 0.11 -0.22 0.53 0.35 0.00 0.00 0.00 179.25 180.02 2o60 h PHE 89 N 0.17 0.98 0.00 0.00 3.57 0.98 -2.33 116.94 120.31 2o60 h PHE 89 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2o60 h PHE 89 Cb 0.10 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2o60 h PHE 89 CO -0.03 0.55 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.41 2o60 h ARG 90 N 1.01 0.00 -0.41 1.11 9.65 -0.50 0.15 114.38 125.38 2o60 h ARG 90 Ca 0.34 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.24 2o60 h ARG 90 Cb 0.05 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2o60 h ARG 90 CO -0.13 0.10 0.28 0.28 2.80 0.00 0.00 179.97 183.30 2o60 h VAL 91 N 0.00 1.06 0.05 0.20 2.07 -0.74 -3.04 116.25 115.85 2o60 h VAL 91 Ca -0.00 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 2o60 h VAL 91 Cb 0.18 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2o60 h VAL 91 CO 0.01 0.09 -0.84 -0.26 0.02 0.00 0.00 177.57 176.60 2o60 h PHE 92 N 0.49 0.19 -0.75 1.57 -1.00 -1.37 -3.42 116.94 112.65 2o60 h PHE 92 Ca 0.16 -0.14 -0.73 0.00 2.81 0.00 0.00 57.97 60.07 2o60 h PHE 92 Cb 0.05 -0.01 -0.10 0.00 3.61 0.00 0.00 35.95 39.50 2o60 h PHE 92 CO -0.00 1.33 2.50 -3.47 -1.61 0.00 0.00 178.31 177.06 2o60 n ASP 93 N -4.31 4.53 0.07 2.17 2.03 0.43 -4.67 116.55 116.80 2o60 n ASP 93 Ca -0.21 -2.96 0.02 0.00 0.52 0.00 0.00 54.79 52.17 2o60 n ASP 93 Cb 0.70 -1.60 0.37 0.00 -0.72 0.00 0.00 41.12 39.87 2o60 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2o60 h LYS 94 N 6.18 0.36 -0.17 -0.67 1.79 -1.81 0.13 116.57 122.38 2o60 h LYS 94 Ca 0.48 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2o60 h LYS 94 Cb 0.68 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2o60 h LYS 94 CO 1.70 0.42 0.00 -0.40 -1.08 0.00 0.00 179.45 180.09 2o60 n ASP 95 N -4.30 2.05 -0.27 0.86 5.75 -1.26 -4.96 116.55 114.42 2o60 n ASP 95 Ca 0.00 -1.75 -0.04 0.00 -0.01 0.00 0.00 54.79 53.00 2o60 n ASP 95 Cb 0.23 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 2o60 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o60 n GLY 96 N 1.22 0.57 0.02 6.12 0.00 0.03 -4.88 105.19 108.26 2o60 n GLY 96 Ca 0.17 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.17 2o60 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2o60 n ASN 97 N -0.26 0.05 0.00 1.61 6.94 -1.26 -4.87 115.26 117.47 2o60 n ASN 97 Ca -0.04 -0.89 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 2o60 n ASN 97 Cb 0.29 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 2o60 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2o60 n GLY 98 N 1.05 0.62 2.82 4.83 0.00 -1.26 -5.05 105.19 108.19 2o60 n GLY 98 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2o60 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o60 s TYR 99 N -2.43 0.36 -0.33 1.61 2.02 -1.26 -3.34 117.35 113.97 2o60 s TYR 99 Ca 0.00 -0.02 -0.26 0.00 -0.37 0.00 0.00 57.07 56.43 2o60 s TYR 99 Cb 0.00 -0.45 0.01 0.00 -0.40 0.00 0.00 41.96 41.12 2o60 s TYR 99 CO 0.00 -0.15 0.92 0.42 -1.57 0.00 0.00 175.55 175.17 2o60 s ILE 100 N 1.11 4.64 0.54 2.71 1.01 0.43 -4.83 121.20 126.81 2o60 s ILE 100 Ca -0.08 1.34 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 2o60 s ILE 100 Cb -0.13 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 2o60 s ILE 100 CO -0.02 -0.42 0.84 -0.94 0.00 0.00 0.00 174.94 174.40 2o60 s SER 101 N 1.72 5.90 0.27 3.58 1.04 -1.26 -1.71 113.70 123.23 2o60 s SER 101 Ca 0.38 0.79 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 2o60 s SER 101 Cb -0.13 -1.94 0.48 0.00 0.10 0.00 0.00 66.02 64.54 2o60 s SER 101 CO 0.16 -0.84 1.82 0.00 0.98 0.00 0.00 173.24 175.36 2o60 h ALA 102 N 0.02 1.37 -0.44 5.32 0.00 -1.97 -1.31 119.26 122.25 2o60 h ALA 102 Ca -0.46 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2o60 h ALA 102 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2o60 h ALA 102 CO 0.61 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.99 2o60 h ALA 103 N 1.50 1.09 -0.47 0.00 0.00 -1.96 -0.30 119.26 119.12 2o60 h ALA 103 Ca 0.45 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2o60 h ALA 103 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2o60 h ALA 103 CO -0.26 0.57 0.13 0.93 0.00 0.00 0.00 179.25 180.62 2o60 h GLU 104 N 0.70 0.74 -0.43 0.00 5.08 -1.72 -0.66 114.58 118.28 2o60 h GLU 104 Ca 0.13 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2o60 h GLU 104 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2o60 h GLU 104 CO 0.03 0.71 -0.25 1.25 -1.00 0.00 0.00 179.01 179.74 2o60 h LEU 105 N 0.62 0.96 -1.56 1.33 5.85 -0.89 -2.16 115.31 119.47 2o60 h LEU 105 Ca 0.15 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.48 2o60 h LEU 105 Cb 0.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2o60 h LEU 105 CO -0.00 1.17 0.33 -0.09 -0.34 0.00 0.00 178.44 179.52 2o60 h ARG 106 N 0.76 0.55 -0.41 1.25 2.43 -1.00 -2.04 114.38 115.93 2o60 h ARG 106 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2o60 h ARG 106 Cb 0.83 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2o60 h ARG 106 CO 0.07 0.37 0.24 1.25 -1.51 0.00 0.00 179.97 180.39 2o60 h HIS 107 N 0.57 0.54 -0.37 2.20 2.76 -0.46 0.28 115.15 120.67 2o60 h HIS 107 Ca 0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2o60 h HIS 107 Cb 0.10 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2o60 h HIS 107 CO -0.00 0.39 0.18 0.28 -1.30 0.00 0.00 177.93 177.48 2o60 h VAL 108 N 0.53 1.16 -0.65 5.26 2.07 -1.16 0.10 116.25 123.57 2o60 h VAL 108 Ca 0.15 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2o60 h VAL 108 Cb 0.01 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2o60 h VAL 108 CO -0.03 0.17 0.25 0.24 0.02 0.00 0.00 177.57 178.23 2o60 h MET 109 N 0.46 0.95 -0.61 1.57 2.07 -1.01 -1.55 114.93 116.80 2o60 h MET 109 Ca 0.13 -0.16 -0.08 0.00 -2.07 0.00 0.00 59.70 57.52 2o60 h MET 109 Cb 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.65 2o60 h MET 109 CO -0.02 0.78 0.06 1.15 1.07 0.00 0.00 176.91 179.95 2o60 h THR 110 N 0.93 1.26 -0.75 2.22 2.02 -0.01 -0.86 112.91 117.72 2o60 h THR 110 Ca 0.22 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 2o60 h THR 110 Cb 0.19 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2o60 h THR 110 CO -0.02 0.39 0.45 0.78 0.37 0.00 0.00 175.52 177.50 2o60 h ASN 111 N 0.96 0.90 0.62 4.18 2.35 -0.45 -1.98 115.58 122.17 2o60 h ASN 111 Ca 0.18 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2o60 h ASN 111 Cb 0.48 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2o60 h ASN 111 CO 0.02 0.70 0.00 0.18 -1.65 0.00 0.00 177.43 176.67 2o60 n LEU 112 N -4.38 0.00 0.00 1.61 4.77 -0.63 -4.88 117.00 113.48 2o60 n LEU 112 Ca 0.08 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2o60 n LEU 112 Cb 0.07 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2o60 n LEU 112 CO 0.37 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2o60 n GLY 113 N 0.67 0.76 3.86 -0.72 0.00 -0.74 -5.06 105.19 103.96 2o60 n GLY 113 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2o60 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o60 s GLU 114 N -0.78 3.80 -0.24 1.61 0.41 -0.40 -4.99 118.70 118.11 2o60 s GLU 114 Ca 0.00 0.23 0.02 0.00 -0.41 0.00 0.00 54.97 54.82 2o60 s GLU 114 Cb 0.00 -2.96 0.05 0.00 -1.78 0.00 0.00 34.13 29.44 2o60 s GLU 114 CO 0.00 0.52 -0.13 -1.59 -0.49 0.00 0.00 175.26 173.57 2o60 s LYS 115 N -2.01 2.45 0.10 1.61 -2.85 -1.26 -3.55 119.74 114.24 2o60 s LYS 115 Ca 0.35 -1.20 0.04 0.00 -1.00 0.00 0.00 55.97 54.16 2o60 s LYS 115 Cb -0.14 -2.80 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 2o60 s LYS 115 CO 0.19 -0.47 0.04 -0.51 0.10 0.00 0.00 175.35 174.70 2o60 s LEU 116 N 1.16 3.60 0.70 2.77 1.02 -1.26 -5.12 118.68 121.54 2o60 s LEU 116 Ca -0.05 -0.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.86 2o60 s LEU 116 Cb -0.18 -2.30 0.01 0.00 0.02 0.00 0.00 46.19 43.74 2o60 s LEU 116 CO -0.07 0.16 1.09 0.42 0.02 0.00 0.00 176.35 177.97 2o60 s THR 117 N -1.40 3.56 0.32 5.49 -4.23 -1.26 -4.90 115.64 113.22 2o60 s THR 117 Ca 0.28 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 2o60 s THR 117 Cb -0.12 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.52 2o60 s THR 117 CO 0.20 -0.66 1.90 0.44 -0.54 0.00 0.00 174.62 175.96 2o60 h ASP 118 N -0.64 0.84 -0.43 3.99 5.19 -2.00 -1.39 116.42 121.98 2o60 h ASP 118 Ca -0.45 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 2o60 h ASP 118 Cb 1.25 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 2o60 h ASP 118 CO 0.64 0.51 0.15 -0.08 -3.12 0.00 0.00 179.24 177.34 2o60 h GLU 119 N 0.94 0.66 -0.78 3.56 4.57 -1.99 0.43 114.58 121.97 2o60 h GLU 119 Ca 0.40 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.40 2o60 h GLU 119 Cb 0.33 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2o60 h GLU 119 CO -0.17 0.63 0.29 0.93 -1.18 0.00 0.00 179.01 179.51 2o60 h GLU 120 N 0.56 1.18 -0.22 1.92 5.08 -1.79 0.42 114.58 121.73 2o60 h GLU 120 Ca 0.14 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2o60 h GLU 120 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2o60 h GLU 120 CO -0.01 0.97 0.05 0.28 -1.00 0.00 0.00 179.01 179.31 2o60 h VAL 121 N 1.14 1.21 -0.82 3.13 2.07 -1.06 -2.26 116.25 119.66 2o60 h VAL 121 Ca 0.26 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2o60 h VAL 121 Cb 0.25 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2o60 h VAL 121 CO -0.02 0.21 0.54 0.44 0.02 0.00 0.00 177.57 178.77 2o60 h ASP 122 N 0.18 0.84 -0.72 0.57 3.32 -0.60 -1.90 116.42 118.11 2o60 h ASP 122 Ca 0.07 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2o60 h ASP 122 Cb 0.28 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2o60 h ASP 122 CO 0.00 0.56 0.45 -0.08 -1.72 0.00 0.00 179.24 178.45 2o60 h GLU 123 N 0.97 0.86 -0.57 3.56 4.81 -0.75 -0.49 114.58 122.97 2o60 h GLU 123 Ca 0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2o60 h GLU 123 Cb 0.12 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2o60 h GLU 123 CO -0.11 0.57 0.32 0.52 -0.73 0.00 0.00 179.01 179.58 2o60 h MET 124 N 0.89 0.79 -0.11 1.92 2.86 -0.77 -2.98 114.93 117.53 2o60 h MET 124 Ca 0.29 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2o60 h MET 124 Cb 0.01 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2o60 h MET 124 CO -0.11 0.60 -0.25 0.82 1.06 0.00 0.00 176.91 179.03 2o60 h ILE 125 N 0.77 1.23 0.00 -1.22 2.04 -0.65 -2.30 117.51 117.38 2o60 h ILE 125 Ca 0.20 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2o60 h ILE 125 Cb 0.03 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2o60 h ILE 125 CO -0.03 0.32 0.00 0.03 0.00 0.00 0.00 178.15 178.47 2o60 h ARG 126 N 0.17 0.00 0.00 2.37 3.08 -0.95 -0.83 114.38 118.23 2o60 h ARG 126 Ca 0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2o60 h ARG 126 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2o60 h ARG 126 CO 0.04 0.00 -0.36 0.93 -1.07 0.00 0.00 179.97 179.51 2o60 h GLU 127 N 0.00 0.00 0.00 0.04 5.08 -1.46 -3.33 114.58 114.91 2o60 h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2o60 h GLU 127 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2o60 h GLU 127 CO 0.00 0.36 -0.71 0.00 -1.00 0.00 0.00 179.01 177.66 2o60 n ALA 128 N -2.44 2.19 -2.66 3.43 0.00 -0.74 -4.96 120.51 115.33 2o60 n ALA 128 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2o60 n ALA 128 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 2o60 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2o60 s ASP 129 N -1.86 6.71 0.08 0.00 2.15 -0.39 -4.79 116.67 118.57 2o60 s ASP 129 Ca -0.00 -2.07 -0.19 0.00 0.43 0.00 0.00 52.55 50.72 2o60 s ASP 129 Cb 0.02 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2o60 s ASP 129 CO 0.11 -1.24 1.53 0.40 -0.17 0.00 0.00 175.17 175.79 2o60 h ILE 130 N 5.98 1.25 -0.13 4.11 1.08 -1.90 -3.21 117.51 124.69 2o60 h ILE 130 Ca 0.29 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2o60 h ILE 130 Cb 0.95 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2o60 h ILE 130 CO 1.37 0.27 0.00 -0.90 -0.69 0.00 0.00 178.15 178.20 2o60 n ASP 131 N -4.67 1.34 -0.65 1.72 5.75 -1.26 -4.95 116.55 113.84 2o60 n ASP 131 Ca -0.04 -1.64 -0.08 0.00 -0.01 0.00 0.00 54.79 53.02 2o60 n ASP 131 Cb 0.23 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 2o60 n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o60 n GLY 132 N 1.07 0.83 0.61 6.12 0.00 -1.21 -4.89 105.19 107.71 2o60 n GLY 132 Ca 0.16 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.61 2o60 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2o60 n ASP 133 N 0.69 1.83 -0.19 1.61 5.75 -1.26 -4.91 116.55 120.07 2o60 n ASP 133 Ca -0.08 -1.79 -0.02 0.00 -0.01 0.00 0.00 54.79 52.88 2o60 n ASP 133 Cb 0.31 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2o60 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o60 n GLY 134 N 1.14 0.57 3.16 6.12 0.00 -1.26 -5.01 105.19 109.90 2o60 n GLY 134 Ca 0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2o60 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o60 s GLN 135 N -1.41 0.83 -0.30 1.61 -0.21 -1.26 -4.30 119.66 114.62 2o60 s GLN 135 Ca 0.00 -1.35 -0.05 0.00 0.02 0.00 0.00 55.36 53.98 2o60 s GLN 135 Cb 0.00 -0.04 0.03 0.00 1.00 0.00 0.00 33.01 34.00 2o60 s GLN 135 CO 0.00 -0.09 0.05 0.08 -2.12 0.00 0.00 175.29 173.20 2o60 s VAL 136 N -3.77 3.55 0.72 1.09 1.01 -0.70 -4.69 120.40 117.62 2o60 s VAL 136 Ca 0.14 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2o60 s VAL 136 Cb 0.06 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.62 2o60 s VAL 136 CO -0.04 0.01 1.02 0.54 0.00 0.00 0.00 175.10 176.64 2o60 s ASN 137 N 1.40 4.69 0.15 3.32 2.20 -1.26 -0.42 114.94 125.01 2o60 s ASN 137 Ca -0.00 0.37 -0.17 0.00 -0.94 0.00 0.00 52.86 52.12 2o60 s ASN 137 Cb -0.18 -0.97 -0.00 0.00 -2.00 0.00 0.00 41.25 38.10 2o60 s ASN 137 CO 0.01 -1.67 1.80 0.22 -2.94 0.00 0.00 177.10 174.52 2o60 h TYR 138 N -0.64 0.46 -0.60 1.54 3.20 -1.98 0.05 116.97 118.99 2o60 h TYR 138 Ca -0.44 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.50 2o60 h TYR 138 Cb 1.31 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 2o60 h TYR 138 CO 0.20 0.30 0.32 1.49 -1.64 0.00 0.00 178.16 178.83 2o60 h GLU 139 N 0.50 0.59 -0.74 1.82 4.81 -1.94 0.22 114.58 119.83 2o60 h GLU 139 Ca 0.13 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2o60 h GLU 139 Cb -0.05 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2o60 h GLU 139 CO -0.03 0.39 0.26 0.93 -0.73 0.00 0.00 179.01 179.83 2o60 h GLU 140 N 0.61 1.13 -0.82 1.92 5.08 -1.80 -0.32 114.58 120.39 2o60 h GLU 140 Ca 0.27 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2o60 h GLU 140 Cb 0.17 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2o60 h GLU 140 CO -0.18 0.94 0.37 0.35 -1.00 0.00 0.00 179.01 179.49 2o60 h PHE 141 N 1.08 1.20 -0.28 4.33 3.57 -0.29 -0.69 116.94 125.88 2o60 h PHE 141 Ca 0.24 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2o60 h PHE 141 Cb 0.26 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2o60 h PHE 141 CO 0.02 0.89 -0.10 0.28 -2.23 0.00 0.00 178.31 177.17 2o60 h VAL 142 N 1.17 1.29 -0.53 1.41 2.07 -0.15 -2.95 116.25 118.56 2o60 h VAL 142 Ca 0.28 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2o60 h VAL 142 Cb 0.16 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2o60 h VAL 142 CO -0.03 0.37 0.33 1.56 0.02 0.00 0.00 177.57 179.82 2o60 h GLN 143 N 0.30 0.64 -0.03 1.57 1.08 -0.93 -2.44 115.11 115.30 2o60 h GLN 143 Ca 0.07 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2o60 h GLN 143 Cb 0.59 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2o60 h GLN 143 CO 0.03 0.42 0.03 1.98 -0.95 0.00 0.00 178.83 180.34 2o60 h MET 144 N 0.66 0.00 -0.04 1.46 4.05 -1.06 -2.05 114.93 117.94 2o60 h MET 144 Ca 0.21 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.49 2o60 h MET 144 Cb -0.01 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2o60 h MET 144 CO -0.08 0.00 -0.61 0.52 0.23 0.00 0.00 176.91 176.97 2o60 h MET 145 N 0.00 0.14 -0.00 0.39 2.86 -1.26 -3.19 114.93 113.87 2o60 h MET 145 Ca 0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2o60 h MET 145 Cb 0.07 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2o60 h MET 145 CO -0.00 0.71 -0.79 0.25 1.06 0.00 0.00 176.91 178.14 2o60 n THR 146 N -3.85 0.00 -1.77 2.22 -2.24 -0.83 -5.04 114.28 102.77 2o60 n THR 146 Ca -0.02 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2o60 n THR 146 Cb 0.62 0.81 0.11 0.00 -2.10 0.00 0.00 70.33 69.77 2o60 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o60 s ALA 147 N -2.92 2.31 0.00 6.98 0.00 -0.87 -5.13 121.76 122.13 2o60 s ALA 147 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2o60 s ALA 147 Cb 0.17 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2o60 s ALA 147 CO 0.78 -1.95 0.00 0.36 0.00 0.00 0.00 175.76 174.95