#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itf n ASP 2 N 0.00 5.00 -0.06 0.00 8.00 -1.26 -4.81 116.55 123.41 1itf n ASP 2 Ca 0.00 -3.53 -0.06 0.00 0.71 0.00 0.00 54.79 51.90 1itf n ASP 2 Cb 0.00 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1itf h LEU 3 N 4.15 0.00-10.23 0.64 -0.00 -2.03 -3.46 115.31 104.37 1itf h LEU 3 Ca 0.23 -0.27 -0.49 0.00 -0.00 0.00 0.00 57.88 57.35 1itf h LEU 3 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.25 1itf h LEU 3 CO 0.99 0.76 0.32 -2.16 -0.00 0.00 0.00 178.44 178.35 1itf s PRO 4 N -1.92 3.82 -0.81 1.13 0.04 -1.26 -5.03 135.00 130.97 1itf s PRO 4 Ca -0.10 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.72 1itf s PRO 4 Cb 0.00 -2.19 0.21 0.00 0.04 0.00 0.00 34.50 32.57 1itf s PRO 4 CO 0.26 -0.28 0.73 0.94 0.04 0.00 0.00 177.00 178.68 1itf n GLN 5 N -1.81 2.47 0.00 4.56 7.27 -1.26 -4.76 117.38 123.86 1itf n GLN 5 Ca 0.05 -4.53 0.00 0.00 0.07 0.00 0.00 57.00 52.60 1itf n GLN 5 Cb 0.54 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.84 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1itf n THR 6 N 1.87 0.00 -2.27 1.69 -2.24 -1.26 -5.07 114.28 107.00 1itf n THR 6 Ca 0.23 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.75 1itf n THR 6 Cb 0.37 -0.08 0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1itf n THR 6 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1itf n HIS 7 N -1.53 -3.44 -3.30 4.78 8.25 -1.26 -5.11 115.22 113.62 1itf n HIS 7 Ca 0.00 -1.45 -0.21 0.00 -0.26 0.00 0.00 57.72 55.80 1itf n HIS 7 Cb 0.17 -0.85 0.04 0.00 1.12 0.00 0.00 29.99 30.47 1itf n HIS 7 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1itf s SER 8 N -5.33 5.00 -0.59 0.41 0.01 -1.26 -5.04 113.70 106.89 1itf s SER 8 Ca 0.69 -0.93 -0.27 0.00 1.31 0.00 0.00 55.95 56.75 1itf s SER 8 Cb -0.03 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.48 1itf s SER 8 CO 0.47 -1.21 1.11 -0.76 0.41 0.00 0.00 173.24 173.26 1itf s LEU 9 N -4.52 3.66 0.26 2.44 2.01 -1.26 -4.86 118.68 116.41 1itf s LEU 9 Ca 0.53 -0.13 0.09 0.00 0.01 0.00 0.00 54.13 54.64 1itf s LEU 9 Cb -0.05 -2.97 0.30 0.00 0.01 0.00 0.00 46.19 43.48 1itf s LEU 9 CO 0.33 -1.44 1.58 1.23 1.01 0.00 0.00 176.35 179.07 1itf h GLY 10 N 11.72 0.03 1.02 -3.19 0.00 -1.97 -3.03 103.07 107.64 1itf h GLY 10 Ca -0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1itf h GLY 10 CO 1.17 0.04 0.32 1.48 0.00 0.00 0.00 176.54 179.54 1itf h SER 11 N 0.02 0.98 -0.48 0.19 4.64 -1.93 0.10 113.55 117.06 1itf h SER 11 Ca -0.01 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 1itf h SER 11 Cb 1.15 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1itf h SER 11 CO 0.09 0.86 -0.01 0.03 -0.87 0.00 0.00 176.83 176.92 1itf h ARG 12 N 1.03 0.92 -0.22 4.77 3.08 -1.96 -1.98 114.38 120.02 1itf h ARG 12 Ca 0.25 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1itf h ARG 12 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1itf h ARG 12 CO -0.03 0.92 -0.46 0.00 -1.07 0.00 0.00 179.97 179.33 1itf h ARG 13 N 0.84 0.58 -0.44 0.04 3.08 -1.34 -1.18 114.38 115.97 1itf h ARG 13 Ca 0.15 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1itf h ARG 13 Cb 0.52 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1itf h ARG 13 CO 0.03 0.92 0.28 1.15 -1.07 0.00 0.00 179.97 181.28 1itf h THR 14 N 0.46 1.12 -0.25 2.04 2.02 -0.47 0.09 112.91 117.93 1itf h THR 14 Ca 0.03 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1itf h THR 14 Cb 0.99 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1itf h THR 14 CO 0.09 0.12 -0.25 -0.07 0.37 0.00 0.00 175.52 175.78 1itf h LEU 15 N 0.59 0.47 -0.99 2.58 3.38 -1.25 -2.22 115.31 117.86 1itf h LEU 15 Ca 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 15 Cb -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1itf h LEU 15 CO -0.03 0.71 0.23 -0.03 0.09 0.00 0.00 178.44 179.41 1itf h MET 16 N 0.41 0.96 -0.57 1.13 4.05 -0.40 -1.78 114.93 118.73 1itf h MET 16 Ca 0.06 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1itf h MET 16 Cb 0.66 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1itf h MET 16 CO 0.05 0.80 0.31 -0.07 0.23 0.00 0.00 176.91 178.22 1itf h LEU 17 N 0.94 0.72 -1.50 3.39 3.38 -0.44 -1.67 115.31 120.13 1itf h LEU 17 Ca 0.22 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1itf h LEU 17 Cb 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1itf h LEU 17 CO -0.01 0.62 0.40 -0.07 0.09 0.00 0.00 178.44 179.46 1itf h LEU 18 N 0.77 0.55 -0.68 1.67 3.38 -0.80 -0.35 115.31 119.85 1itf h LEU 18 Ca 0.20 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1itf h LEU 18 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1itf h LEU 18 CO -0.03 0.36 -0.49 0.00 0.09 0.00 0.00 178.44 178.38 1itf h ALA 19 N 1.67 0.86 0.02 1.53 0.00 -0.59 -2.79 119.26 119.95 1itf h ALA 19 Ca 0.25 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1itf h ALA 19 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1itf h ALA 19 CO -0.07 0.66 -0.01 1.96 0.00 0.00 0.00 179.25 181.79 1itf h GLN 20 N 0.34 -0.02 0.00 0.00 4.20 -0.30 -3.04 115.11 116.29 1itf h GLN 20 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1itf h GLN 20 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1itf h GLN 20 CO 0.09 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.70 1itf h MET 21 N -0.51 0.00 -5.93 1.46 -0.00 -1.26 -3.42 114.93 105.26 1itf h MET 21 Ca -0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 59.70 59.06 1itf h MET 21 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.07 1itf h MET 21 CO 0.00 0.00 1.45 -2.13 -0.00 0.00 0.00 176.91 176.24 1itf n ARG 22 N -2.79 1.15 -0.03 -0.10 0.63 -1.05 -4.74 116.66 109.72 1itf n ARG 22 Ca -0.01 0.29 -0.17 0.00 -0.92 0.00 0.00 57.85 57.05 1itf n ARG 22 Cb 0.14 -2.59 -0.14 0.00 0.45 0.00 0.00 32.46 30.33 1itf n ARG 22 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1itf n LYS 23 N 8.33 0.70 -4.54 -0.14 2.85 -1.26 -4.98 118.16 119.12 1itf n LYS 23 Ca 0.40 0.23 -0.25 0.00 -1.05 0.00 0.00 58.31 57.64 1itf n LYS 23 Cb 0.27 -1.68 -0.11 0.00 -0.65 0.00 0.00 35.03 32.86 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1itf s ILE 24 N -2.55 1.56 0.25 0.58 -4.36 -1.26 -5.16 121.20 110.26 1itf s ILE 24 Ca -0.19 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.26 1itf s ILE 24 Cb 0.07 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1itf s ILE 24 CO 0.76 0.00 0.25 -0.44 0.24 0.00 0.00 174.94 175.74 1itf s SER 25 N -3.61 5.77 0.39 4.36 0.01 -1.26 -4.98 113.70 114.39 1itf s SER 25 Ca 0.35 -0.15 0.16 0.00 1.31 0.00 0.00 55.95 57.62 1itf s SER 25 Cb 0.09 -1.55 0.79 0.00 0.21 0.00 0.00 66.02 65.56 1itf s SER 25 CO 0.16 -0.05 1.82 0.25 0.41 0.00 0.00 173.24 175.84 1itf h LEU 26 N 1.41 0.00 -0.56 2.44 5.85 -1.90 -2.03 115.31 120.51 1itf h LEU 26 Ca -0.50 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.09 1itf h LEU 26 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1itf h LEU 26 CO 0.61 0.36 -0.35 -0.26 -0.34 0.00 0.00 178.44 178.46 1itf h PHE 27 N 0.00 0.91 0.00 1.25 0.04 -2.00 -2.11 116.94 115.03 1itf h PHE 27 Ca -0.00 -0.25 -0.07 0.00 2.80 0.00 0.00 57.97 60.44 1itf h PHE 27 Cb 0.72 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1itf h PHE 27 CO 0.00 1.01 -0.36 0.77 -0.60 0.00 0.00 178.31 179.14 1itf h SER 28 N 0.65 0.00 -1.86 2.17 0.02 -1.86 -3.09 113.55 109.57 1itf h SER 28 Ca 0.06 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.33 1itf h SER 28 Cb 0.89 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.09 1itf h SER 28 CO 0.08 0.36 0.21 0.00 -1.14 0.00 0.00 176.83 176.34 1itf n LEU 30 N -0.44 0.16 0.09 0.00 4.77 -0.91 -2.81 117.00 117.85 1itf n LEU 30 Ca 0.45 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1itf n LEU 30 Cb 0.41 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1itf n LEU 30 CO 0.43 0.03 0.06 0.11 -1.33 0.00 0.00 177.39 176.69 1itf h LYS 31 N 0.23 0.21 -0.36 3.23 6.56 -1.88 -3.25 116.57 121.31 1itf h LYS 31 Ca 0.00 -0.32 -0.12 0.00 -1.06 0.00 0.00 60.65 59.15 1itf h LYS 31 Cb 0.18 0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 31.88 1itf h LYS 31 CO 0.00 1.12 0.01 -0.25 -2.06 0.00 0.00 179.45 178.27 1itf n ASP 32 N -3.53 3.21 -4.61 0.86 9.92 -1.18 -4.97 116.55 116.24 1itf n ASP 32 Ca -0.06 -3.42 -0.43 0.00 -0.53 0.00 0.00 54.79 50.35 1itf n ASP 32 Cb 0.95 -0.61 -0.02 0.00 -0.64 0.00 0.00 41.12 40.80 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1itf s ARG 33 N -3.07 3.69 -0.17 -1.24 3.52 -1.12 -4.84 118.95 115.72 1itf s ARG 33 Ca 0.44 1.14 -0.04 0.00 -0.13 0.00 0.00 55.73 57.14 1itf s ARG 33 Cb 0.38 -3.99 0.08 0.00 -1.56 0.00 0.00 34.95 29.86 1itf s ARG 33 CO 0.05 -1.41 0.25 -1.01 -0.81 0.00 0.00 175.30 172.36 1itf s HIS 34 N 5.16 -0.38 -0.00 5.12 3.76 -1.26 -5.06 115.29 122.62 1itf s HIS 34 Ca 0.62 0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 55.84 1itf s HIS 34 Cb -0.16 -0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1itf s HIS 34 CO 0.29 -0.48 1.04 0.34 -0.85 0.00 0.00 174.74 175.08 1itf s ASP 35 N 2.38 7.27 0.00 1.40 -1.08 -1.26 -4.94 116.67 120.44 1itf s ASP 35 Ca 0.05 1.73 -0.20 0.00 -0.52 0.00 0.00 52.55 53.60 1itf s ASP 35 Cb -0.14 -2.57 -0.22 0.00 -1.46 0.00 0.00 42.92 38.53 1itf s ASP 35 CO -0.10 -0.35 1.11 -0.26 0.52 0.00 0.00 175.17 176.09 1itf h PHE 36 N 6.88 0.56 0.00 -5.34 0.04 -1.96 -3.49 116.94 113.63 1itf h PHE 36 Ca -0.39 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.09 1itf h PHE 36 Cb 1.21 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1itf h PHE 36 CO 0.68 1.09 0.00 0.41 -0.60 0.00 0.00 178.31 179.90 1itf n GLY 37 N 0.98 0.78 3.74 -1.45 0.00 -1.26 -5.05 105.19 102.93 1itf n GLY 37 Ca -0.10 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1itf n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1itf s PHE 38 N -0.14 3.15 -1.40 1.61 5.36 -1.26 -4.83 117.98 120.46 1itf s PHE 38 Ca 0.00 1.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.90 1itf s PHE 38 Cb 0.00 -3.72 0.07 0.00 -0.34 0.00 0.00 43.02 39.03 1itf s PHE 38 CO 0.00 -2.38 2.10 -0.35 -1.46 0.00 0.00 175.22 173.13 1itf n PRO 39 N 2.81 3.07 0.15 10.12 -0.04 -1.26 -4.66 135.00 145.18 1itf n PRO 39 Ca 0.08 -2.89 0.13 0.00 -0.04 0.00 0.00 63.50 60.78 1itf n PRO 39 Cb 0.41 -3.21 0.47 0.00 -0.04 0.00 0.00 33.50 31.14 1itf n PRO 39 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1itf h GLN 40 N 6.05 0.00 -0.43 0.54 5.75 -1.98 -2.93 115.11 122.12 1itf h GLN 40 Ca 0.52 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 59.06 1itf h GLN 40 Cb 0.66 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1itf h GLN 40 CO 1.79 0.00 0.29 0.93 -2.65 0.00 0.00 178.83 179.19 1itf h GLU 41 N 0.00 0.38 -0.84 1.69 5.08 -2.01 0.25 114.58 119.13 1itf h GLU 41 Ca 0.00 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1itf h GLU 41 Cb 0.53 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 1itf h GLU 41 CO 0.00 0.25 0.20 -1.91 -1.00 0.00 0.00 179.01 176.55 1itf n GLU 42 N -4.48 2.92 0.00 2.33 4.07 -1.10 -3.78 120.64 120.59 1itf n GLU 42 Ca 0.05 -2.15 0.00 0.00 -0.06 0.00 0.00 57.16 55.00 1itf n GLU 42 Cb 0.21 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.65 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1itf n PHE 43 N -0.03 0.00 0.00 4.31 3.01 0.85 -4.76 117.46 120.83 1itf n PHE 43 Ca 0.29 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1itf n PHE 43 Cb 1.09 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.54 1itf n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1itf n GLY 44 N -0.15 -0.05 3.76 1.37 0.00 -1.10 -4.70 105.19 104.33 1itf n GLY 44 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1itf n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1itf s ASN 45 N -1.00 5.73 -0.23 1.61 2.47 -1.26 -2.17 114.94 120.09 1itf s ASN 45 Ca 0.00 2.37 0.00 0.00 0.42 0.00 0.00 52.86 55.65 1itf s ASN 45 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1itf s ASN 45 CO 0.00 -1.23 0.00 0.00 -3.72 0.00 0.00 177.10 172.15 1itf n GLN 46 N -0.98 -0.86 -2.14 0.43 1.13 -1.26 -4.80 117.38 108.90 1itf n GLN 46 Ca 0.10 0.36 -0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1itf n GLN 46 Cb 0.49 -4.10 0.04 0.00 0.11 0.00 0.00 30.24 26.77 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1itf n PHE 47 N -2.58 0.08 -0.81 1.08 3.72 -0.92 -4.52 117.46 113.51 1itf n PHE 47 Ca -0.02 -1.33 -0.20 0.00 -0.05 0.00 0.00 57.45 55.85 1itf n PHE 47 Cb 0.25 0.24 0.13 0.00 -0.94 0.00 0.00 39.48 39.16 1itf n PHE 47 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1itf n GLN 48 N -0.36 2.03 0.00 -1.08 1.13 -1.24 -4.70 117.38 113.15 1itf n GLN 48 Ca -0.03 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.62 1itf n GLN 48 Cb 0.90 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1itf n GLN 48 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1itf n LYS 49 N -0.77 0.00 -1.66 -1.09 2.85 -1.26 -4.92 118.16 111.31 1itf n LYS 49 Ca 0.48 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.42 1itf n LYS 49 Cb 1.35 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.69 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1itf n ALA 50 N -3.00 6.63 -0.04 0.58 0.00 -1.26 -4.17 120.51 119.25 1itf n ALA 50 Ca 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 53.44 49.98 1itf n ALA 50 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.97 1itf n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1itf n GLU 51 N 1.36 0.96 -0.36 0.00 -0.58 -1.26 -4.40 120.64 116.36 1itf n GLU 51 Ca 0.55 0.03 0.04 0.00 -0.42 0.00 0.00 57.16 57.36 1itf n GLU 51 Cb 0.44 -1.15 0.18 0.00 -0.57 0.00 0.00 31.44 30.34 1itf n GLU 51 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1itf n THR 52 N -2.59 1.07 -0.18 2.62 5.66 -1.26 -4.32 114.28 115.29 1itf n THR 52 Ca -0.12 -0.60 -0.07 0.00 -3.05 0.00 0.00 64.05 60.20 1itf n THR 52 Cb 0.66 -0.23 0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1itf h ILE 53 N 1.91 1.15 0.00 1.09 2.04 -1.84 0.43 117.51 122.29 1itf h ILE 53 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1itf h ILE 53 Cb 1.00 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1itf h ILE 53 CO 0.17 0.15 -0.21 1.55 0.00 0.00 0.00 178.15 179.81 1itf h PRO 54 N 0.70 0.00 -0.02 2.37 0.13 -1.86 0.21 132.00 133.52 1itf h PRO 54 Ca 0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.07 1itf h PRO 54 Cb -0.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.11 1itf h PRO 54 CO -0.04 0.21 -0.97 0.28 -0.23 0.00 0.00 178.00 177.26 1itf h VAL 55 N 0.00 1.32 0.00 1.56 2.07 -1.56 -2.51 116.25 117.13 1itf h VAL 55 Ca -0.00 -2.28 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 1itf h VAL 55 Cb 0.40 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1itf h VAL 55 CO 0.03 0.70 -0.33 -0.07 0.02 0.00 0.00 177.57 177.92 1itf h LEU 56 N 0.35 0.00 -0.11 2.57 3.38 0.64 0.13 115.31 122.28 1itf h LEU 56 Ca -0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1itf h LEU 56 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1itf h LEU 56 CO 0.18 0.33 -0.23 -0.74 0.09 0.00 0.00 178.44 178.07 1itf h HIS 57 N 0.00 0.44 0.00 1.13 2.76 -0.47 0.29 115.15 119.30 1itf h HIS 57 Ca -0.00 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 57.89 1itf h HIS 57 Cb 0.71 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1itf h HIS 57 CO 0.00 0.84 -0.55 0.93 -1.30 0.00 0.00 177.93 177.85 1itf h GLU 58 N -0.08 0.00 -0.07 5.26 3.07 -1.34 -0.73 114.58 120.69 1itf h GLU 58 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 1itf h GLU 58 Cb 0.82 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1itf h GLU 58 CO 0.05 0.55 -0.45 1.98 -1.40 0.00 0.00 179.01 179.74 1itf h MET 59 N 0.00 0.43 0.00 2.33 4.05 -0.72 -0.82 114.93 120.20 1itf h MET 59 Ca -0.01 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.00 1itf h MET 59 Cb 1.26 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1itf h MET 59 CO 0.07 1.01 -0.22 0.82 0.23 0.00 0.00 176.91 178.83 1itf h ILE 60 N -0.03 0.54 -0.19 1.77 2.04 -0.96 -0.96 117.51 119.72 1itf h ILE 60 Ca -0.04 -1.10 -0.17 0.00 1.00 0.00 0.00 64.86 64.55 1itf h ILE 60 Cb 1.12 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1itf h ILE 60 CO 0.09 0.21 -0.59 -0.61 0.00 0.00 0.00 178.15 177.26 1itf h GLN 61 N 0.00 0.63 -0.44 2.37 5.75 -0.98 0.22 115.11 122.67 1itf h GLN 61 Ca -0.00 -0.42 -0.14 0.00 -0.15 0.00 0.00 58.65 57.94 1itf h GLN 61 Cb 0.74 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1itf h GLN 61 CO 0.03 1.04 -0.29 1.96 -2.65 0.00 0.00 178.83 178.91 1itf h GLN 62 N 0.47 0.97 -0.03 1.69 1.08 -0.55 -2.14 115.11 116.59 1itf h GLN 62 Ca 0.00 -0.46 -0.11 0.00 -1.45 0.00 0.00 58.65 56.63 1itf h GLN 62 Cb 1.16 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 1itf h GLN 62 CO 0.11 1.13 -0.51 0.82 -0.95 0.00 0.00 178.83 179.43 1itf h ILE 63 N 0.81 1.36 -0.28 2.54 2.04 -1.08 0.37 117.51 123.27 1itf h ILE 63 Ca 0.09 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 1itf h ILE 63 Cb 0.88 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1itf h ILE 63 CO 0.08 0.51 0.13 0.15 0.00 0.00 0.00 178.15 179.01 1itf h PHE 64 N 0.06 0.41 0.07 1.37 3.04 -0.15 -0.92 116.94 120.82 1itf h PHE 64 Ca -0.00 -0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.68 1itf h PHE 64 Cb 0.92 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1itf h PHE 64 CO 0.01 0.39 -1.12 -0.91 -2.02 0.00 0.00 178.31 174.65 1itf h ASN 65 N 0.31 0.25 -0.04 0.41 2.35 -1.31 0.22 115.58 117.76 1itf h ASN 65 Ca 0.09 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1itf h ASN 65 Cb 0.14 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1itf h ASN 65 CO -0.01 1.19 -0.03 0.25 -1.65 0.00 0.00 177.43 177.18 1itf h LEU 66 N 0.05 0.19 0.00 1.61 5.85 -0.79 -1.58 115.31 120.64 1itf h LEU 66 Ca -0.08 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.43 1itf h LEU 66 Cb 1.85 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 1itf h LEU 66 CO 0.17 0.26 -2.14 0.49 -0.34 0.00 0.00 178.44 176.88 1itf n PHE 67 N -4.38 0.08 0.41 1.25 3.01 -0.36 -4.17 117.46 113.30 1itf n PHE 67 Ca -0.01 0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.61 1itf n PHE 67 Cb 0.18 -0.79 0.47 0.00 -0.01 0.00 0.00 39.48 39.34 1itf n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1itf h SER 68 N 0.00 0.00 -3.76 4.37 0.87 -0.31 -3.31 113.55 111.42 1itf h SER 68 Ca -0.28 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.72 1itf h SER 68 Cb 1.65 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.77 1itf h SER 68 CO 0.02 0.00 0.29 0.35 -0.53 0.00 0.00 176.83 176.96 1itf n THR 69 N -2.54 4.02 0.28 2.23 -2.24 -0.62 -4.73 114.28 110.67 1itf n THR 69 Ca 0.03 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1itf n THR 69 Cb 0.34 -1.31 0.81 0.00 -2.10 0.00 0.00 70.33 68.07 1itf n THR 69 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1itf h LYS 70 N 0.65 0.00 -0.16 -0.78 3.64 -1.92 0.36 116.57 118.36 1itf h LYS 70 Ca -0.49 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.74 1itf h LYS 70 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1itf h LYS 70 CO 0.52 0.07 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.87 1itf h ASP 71 N 0.00 0.68 0.21 4.20 5.19 -1.93 -1.83 116.42 122.94 1itf h ASP 71 Ca -0.00 -0.59 -0.16 0.00 -0.62 0.00 0.00 57.03 55.66 1itf h ASP 71 Cb 0.20 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1itf h ASP 71 CO 0.01 1.15 -0.62 -1.28 -3.12 0.00 0.00 179.24 175.38 1itf h SER 72 N 0.25 0.45 0.12 6.45 0.87 -1.63 0.14 113.55 120.20 1itf h SER 72 Ca -0.01 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1itf h SER 72 Cb 1.08 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1itf h SER 72 CO 0.10 0.96 -0.19 -1.28 -0.53 0.00 0.00 176.83 175.89 1itf h SER 73 N 0.29 0.15 0.81 6.23 0.87 -0.92 0.46 113.55 121.45 1itf h SER 73 Ca -0.01 -0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.28 1itf h SER 73 Cb 1.15 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 1itf h SER 73 CO 0.11 0.36 -1.25 0.00 -0.53 0.00 0.00 176.83 175.51 1itf h ALA 74 N 1.66 0.48 -0.32 6.23 0.00 -1.09 -3.33 119.26 122.90 1itf h ALA 74 Ca 0.03 -1.10 -0.09 0.00 0.00 0.00 0.00 54.91 53.75 1itf h ALA 74 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1itf h ALA 74 CO 0.03 1.35 -0.17 0.00 0.00 0.00 0.00 179.25 180.46 1itf h ALA 75 N 0.98 0.45 -1.11 0.00 0.00 -0.28 -3.45 119.26 115.85 1itf h ALA 75 Ca -0.11 -0.34 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1itf h ALA 75 Cb 1.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1itf h ALA 75 CO 0.12 0.37 -0.30 -1.58 0.00 0.00 0.00 179.25 177.86 1itf s TRP 76 N -4.59 2.17 0.12 0.00 0.52 0.09 -5.00 118.94 112.25 1itf s TRP 76 Ca -0.13 -0.63 -0.31 0.00 0.02 0.00 0.00 56.10 55.06 1itf s TRP 76 Cb 0.09 -2.11 -0.07 0.00 -1.15 0.00 0.00 33.47 30.22 1itf s TRP 76 CO 0.81 -0.42 1.30 -0.51 0.02 0.00 0.00 176.95 178.15 1itf s ASP 77 N -4.28 6.94 0.50 2.95 1.01 -1.26 -4.74 116.67 117.79 1itf s ASP 77 Ca 0.47 2.23 0.20 0.00 0.71 0.00 0.00 52.55 56.16 1itf s ASP 77 Cb -0.04 -2.59 1.29 0.00 1.01 0.00 0.00 42.92 42.59 1itf s ASP 77 CO 0.28 -0.55 2.08 1.05 0.21 0.00 0.00 175.17 178.24 1itf h GLU 78 N 6.41 0.00 0.08 8.23 4.11 -1.94 0.31 114.58 131.77 1itf h GLU 78 Ca -0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.82 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.82 0.11 -0.75 1.15 0.07 0.00 0.00 179.01 180.41 1itf h THR 79 N 0.00 1.46 -0.58 -1.06 2.02 -1.94 0.24 112.91 113.05 1itf h THR 79 Ca -0.00 -2.32 -0.05 0.00 0.77 0.00 0.00 66.41 64.81 1itf h THR 79 Cb 0.23 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1itf h THR 79 CO 0.01 0.67 0.16 -0.07 0.37 0.00 0.00 175.52 176.67 1itf h LEU 80 N -0.20 0.82 -0.63 2.58 3.38 -1.85 -1.42 115.31 117.98 1itf h LEU 80 Ca -0.12 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1itf h LEU 80 Cb 1.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1itf h LEU 80 CO 0.14 0.78 -0.62 -0.07 0.09 0.00 0.00 178.44 178.76 1itf h LEU 81 N 0.85 0.26 -0.06 1.67 3.38 -0.40 -1.69 115.31 119.33 1itf h LEU 81 Ca 0.19 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1itf h LEU 81 Cb 0.27 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1itf h LEU 81 CO -0.01 0.82 -0.13 -0.78 0.09 0.00 0.00 178.44 178.44 1itf h ASP 82 N 0.17 -0.38 -0.25 -0.43 3.58 0.53 0.42 116.42 120.06 1itf h ASP 82 Ca -0.01 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1itf h ASP 82 Cb 1.13 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 1itf h ASP 82 CO 0.10 -0.17 -0.01 0.50 -2.88 0.00 0.00 179.24 176.78 1itf h LYS 83 N -0.18 0.57 -0.06 0.28 1.63 -1.32 -1.48 116.57 116.01 1itf h LYS 83 Ca 0.06 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1itf h LYS 83 Cb 0.27 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1itf h LYS 83 CO -0.17 0.60 -0.17 0.35 -3.45 0.00 0.00 179.45 176.61 1itf h PHE 84 N 0.54 0.10 -0.09 1.91 3.57 -0.13 -0.44 116.94 122.39 1itf h PHE 84 Ca 0.11 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 1itf h PHE 84 Cb 0.36 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1itf h PHE 84 CO 0.01 0.26 -0.78 1.88 -2.23 0.00 0.00 178.31 177.46 1itf h TYR 85 N 0.09 0.72 -0.44 0.41 0.05 0.78 -1.53 116.97 117.05 1itf h TYR 85 Ca 0.02 -0.33 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 1itf h TYR 85 Cb 0.36 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1itf h TYR 85 CO 0.00 1.11 -0.20 1.15 -1.05 0.00 0.00 178.16 179.17 1itf h THR 86 N 0.35 1.27 -0.22 -2.88 2.02 -0.73 -0.12 112.91 112.60 1itf h THR 86 Ca -0.05 -1.34 -0.17 0.00 0.77 0.00 0.00 66.41 65.63 1itf h THR 86 Cb 1.38 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1itf h THR 86 CO 0.14 0.45 -0.54 -0.33 0.37 0.00 0.00 175.52 175.62 1itf h GLU 87 N 0.75 0.65 -0.48 6.66 4.39 -1.07 -0.13 114.58 125.35 1itf h GLU 87 Ca 0.10 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.29 1itf h GLU 87 Cb 0.74 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1itf h GLU 87 CO 0.06 1.02 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.70 1itf h LEU 88 N 0.50 0.93 -0.13 1.33 3.38 -1.09 -1.43 115.31 118.81 1itf h LEU 88 Ca 0.01 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.43 1itf h LEU 88 Cb 1.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1itf h LEU 88 CO 0.11 1.08 -1.00 0.22 0.09 0.00 0.00 178.44 178.94 1itf h TYR 89 N 0.82 0.47 -0.31 1.13 3.20 -0.91 -1.52 116.97 119.84 1itf h TYR 89 Ca 0.12 -0.28 -0.18 0.00 3.14 0.00 0.00 58.73 61.53 1itf h TYR 89 Cb 0.70 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1itf h TYR 89 CO 0.04 1.12 -0.52 1.96 -1.64 0.00 0.00 178.16 179.12 1itf h GLN 90 N 0.15 0.89 -0.10 1.82 1.08 -0.96 -0.54 115.11 117.45 1itf h GLN 90 Ca -0.08 -0.55 -0.10 0.00 -1.45 0.00 0.00 58.65 56.47 1itf h GLN 90 Cb 1.66 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1itf h GLN 90 CO 0.16 1.19 -0.37 1.96 -0.95 0.00 0.00 178.83 180.82 1itf h GLN 91 N 0.69 0.20 -0.09 1.46 1.08 -1.30 -2.03 115.11 115.11 1itf h GLN 91 Ca 0.02 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1itf h GLN 91 Cb 1.13 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1itf h GLN 91 CO 0.12 0.55 0.00 -0.07 -0.95 0.00 0.00 178.83 178.48 1itf h LEU 92 N 0.17 0.16 -1.08 1.46 3.38 -0.96 -0.10 115.31 118.34 1itf h LEU 92 Ca 0.02 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 92 Cb 0.74 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1itf h LEU 92 CO 0.06 0.43 0.62 0.78 0.09 0.00 0.00 178.44 180.42 1itf h ASN 93 N -0.11 1.04 -0.35 -0.43 4.21 -0.91 0.15 115.58 119.18 1itf h ASN 93 Ca 0.03 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.45 1itf h ASN 93 Cb 0.35 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1itf h ASN 93 CO 0.00 0.73 -0.05 -0.78 -1.29 0.00 0.00 177.43 176.05 1itf h ASP 94 N 1.22 0.64 -0.11 5.81 1.82 -1.21 0.25 116.42 124.83 1itf h ASP 94 Ca 0.37 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1itf h ASP 94 Cb -0.04 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1itf h ASP 94 CO -0.10 0.83 0.01 -0.07 -1.61 0.00 0.00 179.24 178.30 1itf h LEU 95 N 0.44 0.25 -0.00 2.28 3.38 -0.25 -2.26 115.31 119.15 1itf h LEU 95 Ca 0.09 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1itf h LEU 95 Cb 0.53 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1itf h LEU 95 CO 0.03 0.29 -1.12 -0.08 0.09 0.00 0.00 178.44 177.64 1itf h GLU 96 N 0.27 0.37 -0.89 1.13 4.81 -0.37 -3.22 114.58 116.68 1itf h GLU 96 Ca 0.07 -0.51 0.13 0.00 -0.13 0.00 0.00 59.36 58.92 1itf h GLU 96 Cb 0.17 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1itf h GLU 96 CO 0.00 1.19 0.51 0.00 -0.73 0.00 0.00 179.01 179.99 1itf h ALA 97 N 0.61 1.34 -0.55 2.92 0.00 -0.35 0.37 119.26 123.60 1itf h ALA 97 Ca -0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1itf h ALA 97 Cb 1.80 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1itf h ALA 97 CO 0.19 0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.85 1itf h VAL 99 N 0.74 1.19 0.11 0.00 2.07 -0.64 -1.02 116.25 118.70 1itf h VAL 99 Ca 0.20 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1itf h VAL 99 Cb -0.07 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1itf h VAL 99 CO -0.05 0.26 -0.06 0.40 0.02 0.00 0.00 177.57 178.14 1itf h ILE 100 N 0.01 1.08 -0.18 4.57 1.08 0.64 -3.21 117.51 121.50 1itf h ILE 100 Ca -0.00 -0.97 -0.11 0.00 -0.39 0.00 0.00 64.86 63.39 1itf h ILE 100 Cb 0.46 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.84 1itf h ILE 100 CO 0.03 0.23 0.14 0.00 -0.69 0.00 0.00 178.15 177.86 1itf n GLN 101 N -4.95 1.27 -4.15 2.37 1.13 -0.86 -4.84 117.38 107.35 1itf n GLN 101 Ca -0.09 -0.58 -0.31 0.00 -1.94 0.00 0.00 57.00 54.08 1itf n GLN 101 Cb 0.25 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 1itf n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1itf n GLY 102 N 0.60 -0.28 3.87 1.08 0.00 -1.21 -4.93 105.19 104.31 1itf n GLY 102 Ca 0.11 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1itf n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itf s VAL 103 N -4.11 2.78 -0.77 1.61 1.01 -0.39 -4.82 120.40 115.71 1itf s VAL 103 Ca 0.09 0.25 -0.37 0.00 0.00 0.00 0.00 61.98 61.95 1itf s VAL 103 Cb -0.04 -3.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.95 1itf s VAL 103 CO 0.96 -0.33 2.45 0.61 0.00 0.00 0.00 175.10 178.78 1itf n GLY 104 N -2.88 -0.32 3.46 4.51 0.00 -1.26 -4.85 105.19 103.83 1itf n GLY 104 Ca 0.07 1.14 -0.12 0.00 0.00 0.00 0.00 46.02 47.10 1itf n GLY 104 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1itf n VAL 105 N 7.06 0.00 -4.27 1.61 0.24 -1.26 -4.38 118.33 117.33 1itf n VAL 105 Ca 0.61 -1.48 -0.23 0.00 -2.04 0.00 0.00 64.34 61.20 1itf n VAL 105 Cb 0.01 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.30 1itf n VAL 105 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1itf s THR 106 N -2.57 1.56 -0.25 3.34 -4.23 -1.26 -5.04 115.64 107.19 1itf s THR 106 Ca 0.24 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 1itf s THR 106 Cb -0.02 -1.43 -0.17 0.00 1.34 0.00 0.00 72.50 72.21 1itf s THR 106 CO 0.17 -0.09 -0.19 -0.62 -0.54 0.00 0.00 174.62 173.36 1itf n GLU 107 N 1.17 0.65 -2.75 3.99 -0.58 -1.26 -4.83 120.64 117.03 1itf n GLU 107 Ca -0.20 0.13 -0.35 0.00 -0.42 0.00 0.00 57.16 56.32 1itf n GLU 107 Cb 0.54 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 1itf n GLU 107 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1itf s THR 108 N -2.50 4.19 -0.95 2.62 -4.23 -1.26 -4.93 115.64 108.58 1itf s THR 108 Ca -0.31 1.56 -0.24 0.00 -1.18 0.00 0.00 61.69 61.52 1itf s THR 108 Cb 0.08 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1itf s THR 108 CO 0.61 -0.11 1.78 -2.16 -0.54 0.00 0.00 174.62 174.20 1itf s PRO 109 N -2.70 2.90 0.07 3.99 0.04 -1.26 -4.47 135.00 133.57 1itf s PRO 109 Ca 0.58 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1itf s PRO 109 Cb -0.15 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1itf s PRO 109 CO 0.19 -3.00 0.00 -0.11 0.04 0.00 0.00 177.00 174.13 1itf n LEU 110 N 12.28 0.52 -0.02 -3.56 7.94 -1.26 -4.80 117.00 128.10 1itf n LEU 110 Ca 0.38 0.11 0.02 0.00 -1.11 0.00 0.00 56.01 55.40 1itf n LEU 110 Cb 0.48 -0.13 -0.07 0.00 0.53 0.00 0.00 43.42 44.23 1itf n LEU 110 CO 0.62 -0.65 -0.67 1.15 -1.11 0.00 0.00 177.39 176.74 1itf n MET 111 N -3.05 1.08 -0.10 1.96 0.00 -1.26 -3.86 117.12 111.88 1itf n MET 111 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 57.70 57.54 1itf n MET 111 Cb 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 33.22 32.04 1itf n MET 111 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1itf h LYS 112 N 0.00 0.84 0.03 3.17 2.10 -1.88 -2.86 116.57 117.97 1itf h LYS 112 Ca -0.08 -0.39 -0.38 0.00 -2.00 0.00 0.00 60.65 57.80 1itf h LYS 112 Cb 0.80 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.06 1itf h LYS 112 CO 0.00 1.02 -2.36 -1.91 -2.00 0.00 0.00 179.45 174.21 1itf n GLU 113 N -4.08 0.68 -0.14 0.07 2.13 -1.26 -3.71 120.64 114.32 1itf n GLU 113 Ca -0.01 0.17 0.02 0.00 0.66 0.00 0.00 57.16 58.00 1itf n GLU 113 Cb 0.49 -1.57 0.31 0.00 0.27 0.00 0.00 31.44 30.94 1itf n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1itf h ASP 114 N 0.02 0.72 -0.06 4.31 5.19 -1.69 1.07 116.42 125.98 1itf h ASP 114 Ca -0.54 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.73 1itf h ASP 114 Cb 1.95 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 41.29 1itf h ASP 114 CO -0.04 0.53 -0.44 -1.28 -3.12 0.00 0.00 179.24 174.89 1itf h SER 115 N 0.85 0.48 0.21 6.45 0.87 -1.70 -1.83 113.55 118.88 1itf h SER 115 Ca 0.23 -0.68 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 1itf h SER 115 Cb -0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1itf h SER 115 CO -0.05 1.09 -0.40 0.40 -0.53 0.00 0.00 176.83 177.35 1itf h ILE 116 N -0.09 1.30 -0.66 2.23 2.04 -1.56 -2.11 117.51 118.67 1itf h ILE 116 Ca -0.04 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 1itf h ILE 116 Cb 1.11 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1itf h ILE 116 CO 0.09 0.45 0.13 0.25 0.00 0.00 0.00 178.15 179.06 1itf h LEU 117 N 0.21 1.03 -0.07 1.44 6.46 0.12 0.35 115.31 124.85 1itf h LEU 117 Ca 0.02 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1itf h LEU 117 Cb 0.80 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1itf h LEU 117 CO 0.06 1.01 0.03 0.00 -0.62 0.00 0.00 178.44 178.92 1itf h ALA 118 N 1.11 0.09 0.00 1.25 0.00 -0.97 -1.03 119.26 119.71 1itf h ALA 118 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1itf h ALA 118 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1itf h ALA 118 CO 0.01 -0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.10 1itf h VAL 119 N -0.05 0.56 -0.20 0.00 2.07 -1.09 -1.52 116.25 116.02 1itf h VAL 119 Ca 0.02 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 1itf h VAL 119 Cb 0.17 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1itf h VAL 119 CO -0.00 0.10 -0.55 0.03 0.02 0.00 0.00 177.57 177.17 1itf h ARG 120 N 0.00 0.73 -0.09 1.57 3.08 0.63 -0.18 114.38 120.12 1itf h ARG 120 Ca -0.00 -0.52 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 1itf h ARG 120 Cb 0.30 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1itf h ARG 120 CO 0.01 1.14 -0.49 0.87 -1.07 0.00 0.00 179.97 180.44 1itf h LYS 121 N 0.44 0.24 0.09 0.04 1.57 -0.76 0.30 116.57 118.49 1itf h LYS 121 Ca -0.01 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1itf h LYS 121 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1itf h LYS 121 CO 0.12 0.68 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.71 1itf h TYR 122 N 0.19 -0.11 0.00 -1.35 3.20 -1.17 -2.07 116.97 115.65 1itf h TYR 122 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1itf h TYR 122 Cb 0.93 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1itf h TYR 122 CO 0.02 0.18 -0.10 0.74 -1.64 0.00 0.00 178.16 177.35 1itf h PHE 123 N -0.40 0.00 -0.47 -3.82 -1.00 -0.94 -2.26 116.94 108.05 1itf h PHE 123 Ca -0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1itf h PHE 123 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1itf h PHE 123 CO 0.02 0.10 -0.10 0.37 -1.61 0.00 0.00 178.31 177.09 1itf h GLN 124 N 0.00 0.90 -0.35 1.51 4.15 -0.12 0.87 115.11 122.08 1itf h GLN 124 Ca -0.00 -0.34 -0.12 0.00 0.77 0.00 0.00 58.65 58.95 1itf h GLN 124 Cb 0.65 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1itf h GLN 124 CO 0.01 0.99 -0.29 -0.09 -1.93 0.00 0.00 178.83 177.53 1itf h ARG 125 N 0.75 0.74 -0.52 1.69 2.43 -1.07 -0.99 114.38 117.41 1itf h ARG 125 Ca 0.12 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1itf h ARG 125 Cb 0.65 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1itf h ARG 125 CO 0.04 0.94 0.01 0.82 -1.51 0.00 0.00 179.97 180.27 1itf h ILE 126 N 0.63 1.25 -0.33 1.20 2.04 -1.08 0.10 117.51 121.33 1itf h ILE 126 Ca 0.08 -1.04 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 1itf h ILE 126 Cb 0.80 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1itf h ILE 126 CO 0.07 0.37 -0.32 0.74 0.00 0.00 0.00 178.15 179.01 1itf h THR 127 N 0.81 1.29 -0.06 -0.27 2.02 -0.54 -1.97 112.91 114.19 1itf h THR 127 Ca 0.15 -1.48 -0.09 0.00 0.77 0.00 0.00 66.41 65.76 1itf h THR 127 Cb 0.47 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1itf h THR 127 CO 0.02 0.48 -0.38 0.25 0.37 0.00 0.00 175.52 176.27 1itf h LEU 128 N 0.57 0.12 -0.79 2.58 7.12 -0.97 -1.89 115.31 122.05 1itf h LEU 128 Ca 0.05 -0.04 -0.09 0.00 0.13 0.00 0.00 57.88 57.93 1itf h LEU 128 Cb 0.89 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 1itf h LEU 128 CO 0.08 0.49 -0.04 0.22 -0.13 0.00 0.00 178.44 179.05 1itf h TYR 129 N 0.10 0.94 -0.40 1.25 3.20 -0.53 0.96 116.97 122.48 1itf h TYR 129 Ca 0.01 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.60 1itf h TYR 129 Cb 0.71 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1itf h TYR 129 CO 0.01 0.88 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.12 1itf h LEU 130 N 0.79 0.89 -1.10 2.82 3.38 -0.86 -1.13 115.31 120.10 1itf h LEU 130 Ca 0.14 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1itf h LEU 130 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1itf h LEU 130 CO 0.03 1.10 -0.43 0.11 0.09 0.00 0.00 178.44 179.34 1itf h LYS 131 N 0.67 0.00 -0.01 1.13 6.56 -1.09 0.36 116.57 124.18 1itf h LYS 131 Ca 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1itf h LYS 131 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1itf h LYS 131 CO 0.06 0.43 -0.02 0.93 -2.06 0.00 0.00 179.45 178.80 1itf h GLU 132 N 0.00 0.03 -0.04 3.15 4.39 -0.51 -2.97 114.58 118.63 1itf h GLU 132 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1itf h GLU 132 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1itf h GLU 132 CO 0.06 0.59 0.00 1.63 -1.16 0.00 0.00 179.01 180.13 1itf n LYS 133 N -4.79 1.20 -3.66 2.33 4.01 -0.45 -4.90 118.16 111.89 1itf n LYS 133 Ca -0.09 -0.30 -0.21 0.00 -0.51 0.00 0.00 58.31 57.21 1itf n LYS 133 Cb 0.30 -1.35 0.04 0.00 -0.51 0.00 0.00 35.03 33.51 1itf n LYS 133 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1itf n LYS 134 N -0.52 -5.36 -3.53 1.97 5.02 0.32 -2.45 118.16 113.62 1itf n LYS 134 Ca 0.16 0.67 -0.21 0.00 -2.02 0.00 0.00 58.31 56.91 1itf n LYS 134 Cb 0.15 -5.35 0.05 0.00 -0.02 0.00 0.00 35.03 29.86 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1itf n TYR 135 N -4.29 -2.10 -2.80 2.13 4.01 0.99 -4.96 117.16 110.14 1itf n TYR 135 Ca -0.27 0.79 -0.33 0.00 -0.16 0.00 0.00 57.90 57.93 1itf n TYR 135 Cb 0.66 -4.27 -0.07 0.00 -0.31 0.00 0.00 39.34 35.36 1itf n TYR 135 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1itf s SER 136 N -3.94 6.90 0.28 7.72 0.15 -1.02 -4.90 113.70 118.89 1itf s SER 136 Ca 0.21 1.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.56 1itf s SER 136 Cb -0.05 -2.54 0.41 0.00 -1.71 0.00 0.00 66.02 62.13 1itf s SER 136 CO 0.79 -0.39 1.85 1.55 1.20 0.00 0.00 173.24 178.24 1itf h PRO 137 N 1.91 0.88 -0.32 5.44 0.13 -1.92 0.18 132.00 138.29 1itf h PRO 137 Ca -0.49 -0.15 -0.17 0.00 -0.87 0.00 0.00 66.00 64.31 1itf h PRO 137 Cb 1.18 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1itf h PRO 137 CO 0.61 0.74 -0.48 0.00 -0.23 0.00 0.00 178.00 178.64 1itf h ALA 139 N 0.75 0.84 -0.27 0.00 0.00 -1.73 -1.45 119.26 117.40 1itf h ALA 139 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1itf h ALA 139 Cb 1.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1itf h ALA 139 CO 0.11 0.43 -0.14 -1.49 0.00 0.00 0.00 179.25 178.16 1itf h TRP 140 N 0.90 0.49 -0.19 0.00 4.06 -0.54 -0.71 115.95 119.96 1itf h TRP 140 Ca 0.22 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 1itf h TRP 140 Cb 0.15 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 1itf h TRP 140 CO 0.01 0.58 0.07 1.49 -3.56 0.00 0.00 178.44 177.02 1itf h GLU 141 N 0.42 0.29 -0.74 0.49 4.22 -0.54 0.53 114.58 119.24 1itf h GLU 141 Ca 0.08 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1itf h GLU 141 Cb 0.49 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1itf h GLU 141 CO 0.03 0.38 0.49 0.28 -2.18 0.00 0.00 179.01 178.01 1itf h VAL 142 N 0.14 1.19 0.00 0.32 2.07 -0.99 0.05 116.25 119.03 1itf h VAL 142 Ca 0.06 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1itf h VAL 142 Cb 0.21 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1itf h VAL 142 CO -0.00 0.18 -0.15 0.58 0.02 0.00 0.00 177.57 178.20 1itf h VAL 143 N 1.01 0.43 -0.08 2.57 2.07 -0.75 -0.40 116.25 121.11 1itf h VAL 143 Ca 0.27 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1itf h VAL 143 Cb -0.12 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1itf h VAL 143 CO -0.06 0.14 -0.09 -0.09 0.02 0.00 0.00 177.57 177.50 1itf h ARG 144 N 0.00 0.20 -0.09 1.57 2.43 0.20 0.16 114.38 118.84 1itf h ARG 144 Ca -0.00 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1itf h ARG 144 Cb 0.57 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1itf h ARG 144 CO 0.02 0.65 -0.44 0.00 -1.51 0.00 0.00 179.97 178.68 1itf h ALA 145 N 0.55 1.08 -0.14 2.80 0.00 -1.11 0.06 119.26 122.50 1itf h ALA 145 Ca 0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1itf h ALA 145 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1itf h ALA 145 CO 0.02 0.61 -0.60 0.93 0.00 0.00 0.00 179.25 180.21 1itf h GLU 146 N 0.18 0.47 0.04 0.00 4.39 -0.98 -0.14 114.58 118.55 1itf h GLU 146 Ca 0.01 -0.32 -0.22 0.00 0.34 0.00 0.00 59.36 59.17 1itf h GLU 146 Cb 0.86 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1itf h GLU 146 CO 0.07 0.93 -1.01 0.82 -1.16 0.00 0.00 179.01 178.66 1itf h ILE 147 N 0.35 1.52 -0.26 3.13 1.08 -0.44 -0.99 117.51 121.90 1itf h ILE 147 Ca -0.00 -2.85 -0.19 0.00 -0.39 0.00 0.00 64.86 61.43 1itf h ILE 147 Cb 1.14 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1itf h ILE 147 CO 0.11 0.83 -0.58 -0.03 -0.69 0.00 0.00 178.15 177.78 1itf h MET 148 N 0.10 0.86 -0.24 2.37 1.85 -0.92 -0.56 114.93 118.39 1itf h MET 148 Ca -0.07 -0.57 -0.09 0.00 -0.61 0.00 0.00 59.70 58.36 1itf h MET 148 Cb 1.69 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.79 1itf h MET 148 CO 0.16 1.20 -0.19 -0.09 -0.40 0.00 0.00 176.91 177.59 1itf h ARG 149 N 0.64 0.55 -0.66 0.39 2.43 -1.04 -0.15 114.38 116.53 1itf h ARG 149 Ca 0.00 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1itf h ARG 149 Cb 1.20 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1itf h ARG 149 CO 0.13 0.85 0.28 0.66 -1.51 0.00 0.00 179.97 180.38 1itf h SER 150 N 0.25 0.90 -0.22 -3.80 4.64 -1.17 0.19 113.55 114.35 1itf h SER 150 Ca 0.04 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 1itf h SER 150 Cb 0.73 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1itf h SER 150 CO 0.05 0.81 -0.37 0.15 -0.87 0.00 0.00 176.83 176.60 1itf h PHE 151 N 0.93 0.89 -0.19 4.77 3.04 -1.04 -1.28 116.94 124.06 1itf h PHE 151 Ca 0.22 -0.25 -0.12 0.00 3.98 0.00 0.00 57.97 61.80 1itf h PHE 151 Cb 0.19 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1itf h PHE 151 CO 0.01 1.01 -0.38 0.77 -2.02 0.00 0.00 178.31 177.70 1itf h SER 152 N 0.62 0.43 -0.15 0.41 0.02 -0.71 -1.11 113.55 113.07 1itf h SER 152 Ca 0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1itf h SER 152 Cb 0.92 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1itf h SER 152 CO 0.08 0.78 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.48 1itf h LEU 153 N 0.35 0.26 -0.99 5.07 3.38 -0.37 0.32 115.31 123.32 1itf h LEU 153 Ca 0.03 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1itf h LEU 153 Cb 0.83 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1itf h LEU 153 CO 0.07 0.50 0.03 0.28 0.09 0.00 0.00 178.44 179.41 1itf h SER 154 N -0.00 0.72 0.22 -0.43 0.02 -1.12 -2.54 113.55 110.43 1itf h SER 154 Ca 0.04 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1itf h SER 154 Cb 0.37 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1itf h SER 154 CO 0.01 0.77 -0.24 0.35 -1.14 0.00 0.00 176.83 176.59 1itf n THR 155 N -4.24 0.00 0.51 -2.27 -2.24 -0.43 -3.79 114.28 101.82 1itf n THR 155 Ca 0.03 -0.14 0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1itf n THR 155 Cb 0.28 0.40 0.41 0.00 -2.10 0.00 0.00 70.33 69.31 1itf n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itf n ASN 156 N -0.59 0.31 0.21 3.42 5.15 0.11 -2.56 115.26 121.30 1itf n ASN 156 Ca 0.13 0.57 0.04 0.00 -0.60 0.00 0.00 54.58 54.72 1itf n ASN 156 Cb 0.35 -0.64 0.44 0.00 -0.53 0.00 0.00 39.78 39.40 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1itf h LEU 157 N 0.00 0.00 -0.91 1.20 -0.00 -1.70 -2.32 115.31 111.58 1itf h LEU 157 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1itf h LEU 157 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1itf h LEU 157 CO 0.00 0.27 0.54 -0.61 -0.00 0.00 0.00 178.44 178.64 1itf h GLN 158 N 0.00 1.25 -1.75 1.13 5.75 -1.79 -3.43 115.11 116.27 1itf h GLN 158 Ca -0.00 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1itf h GLN 158 Cb 0.49 -0.26 -0.20 0.00 1.07 0.00 0.00 27.48 28.58 1itf h GLN 158 CO 0.04 0.89 -0.15 -1.83 -2.65 0.00 0.00 178.83 175.12 1itf s GLU 159 N -5.93 0.57 -1.21 1.69 -1.05 -0.88 -5.07 118.70 106.81 1itf s GLU 159 Ca -0.13 1.34 -0.09 0.00 -0.15 0.00 0.00 54.97 55.94 1itf s GLU 159 Cb 0.17 0.80 0.21 0.00 -0.44 0.00 0.00 34.13 34.86 1itf s GLU 159 CO 0.82 -0.29 1.63 0.45 0.95 0.00 0.00 175.26 178.83 1itf n SER 160 N 5.43 5.44 -4.83 0.83 2.88 -1.16 -4.75 113.62 117.46 1itf n SER 160 Ca -0.10 -3.14 -0.36 0.00 -1.33 0.00 0.00 58.87 53.94 1itf n SER 160 Cb 0.50 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 1itf n SER 160 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1itf s LEU 161 N -0.42 4.39 -0.52 2.46 1.02 -1.26 -5.00 118.68 119.34 1itf s LEU 161 Ca 0.38 1.21 0.05 0.00 0.02 0.00 0.00 54.13 55.79 1itf s LEU 161 Cb 0.04 -3.25 0.39 0.00 0.02 0.00 0.00 46.19 43.38 1itf s LEU 161 CO 0.02 0.13 1.11 -1.14 0.02 0.00 0.00 176.35 176.49 1itf n ARG 162 N 1.02 3.39 -3.38 1.70 0.63 -1.26 -4.91 116.66 113.84 1itf n ARG 162 Ca -0.06 -4.60 -0.36 0.00 -0.92 0.00 0.00 57.85 51.91 1itf n ARG 162 Cb 0.51 -2.25 -0.04 0.00 0.45 0.00 0.00 32.46 31.13 1itf n ARG 162 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1itf n SER 163 N -0.39 4.79 -2.76 6.15 3.41 -1.26 -4.87 113.62 118.69 1itf n SER 163 Ca 0.37 -3.30 -0.32 0.00 -0.26 0.00 0.00 58.87 55.36 1itf n SER 163 Cb 0.53 -1.02 0.01 0.00 -0.26 0.00 0.00 64.21 63.47 1itf n SER 163 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1itf n LYS 164 N 1.63 3.34 0.00 4.33 5.02 -1.26 -5.32 118.16 125.89 1itf n LYS 164 Ca 0.25 -4.23 0.00 0.00 -2.02 0.00 0.00 58.31 52.31 1itf n LYS 164 Cb 0.37 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 1itf n LYS 164 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97