#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itf s ASP 2 N 0.00 5.96 0.09 0.00 2.15 -1.26 -4.92 116.67 118.68 1itf s ASP 2 Ca 0.00 -3.45 -0.24 0.00 0.43 0.00 0.00 52.55 49.28 1itf s ASP 2 Cb 0.00 -1.94 -0.15 0.00 -0.30 0.00 0.00 42.92 40.54 1itf s ASP 2 CO 0.00 -0.26 1.72 -0.07 -0.17 0.00 0.00 175.17 176.39 1itf h LEU 3 N 6.40 -0.15-10.08 -1.34 -0.00 -2.04 -3.43 115.31 104.67 1itf h LEU 3 Ca 0.12 0.01 -0.51 0.00 -0.00 0.00 0.00 57.88 57.50 1itf h LEU 3 Cb 0.86 0.04 0.08 0.00 -0.00 0.00 0.00 40.66 41.65 1itf h LEU 3 CO 0.82 -0.10 0.45 -2.16 -0.00 0.00 0.00 178.44 177.46 1itf s PRO 4 N -6.17 3.28 -0.65 1.13 0.04 -1.26 -5.00 135.00 126.38 1itf s PRO 4 Ca -0.14 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 1itf s PRO 4 Cb 0.06 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1itf s PRO 4 CO 0.66 -0.92 0.49 -1.14 0.04 0.00 0.00 177.00 176.12 1itf s GLN 5 N -3.26 2.73 -0.13 4.56 0.74 -1.26 -4.86 119.66 118.18 1itf s GLN 5 Ca 0.73 -2.48 0.12 0.00 0.05 0.00 0.00 55.36 53.79 1itf s GLN 5 Cb -0.26 -3.85 -0.24 0.00 1.10 0.00 0.00 33.01 29.76 1itf s GLN 5 CO 0.29 -1.19 0.34 0.25 -0.55 0.00 0.00 175.29 174.43 1itf n THR 6 N 3.64 1.54 -1.95 -0.34 -2.24 -1.26 -4.96 114.28 108.71 1itf n THR 6 Ca 0.08 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1itf n THR 6 Cb 0.40 -0.92 0.11 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.99 -3.64 -2.48 4.78 8.25 -1.26 -5.09 115.22 112.78 1itf n HIS 7 Ca -0.27 -0.93 -0.25 0.00 -0.26 0.00 0.00 57.72 56.02 1itf n HIS 7 Cb 1.09 -0.60 0.12 0.00 1.12 0.00 0.00 29.99 31.72 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 -4.00 4.12 -0.34 0.41 0.01 -1.26 -5.04 113.70 107.60 1itf s SER 8 Ca 0.47 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 57.24 1itf s SER 8 Cb -0.02 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1itf s SER 8 CO 0.33 -2.02 0.68 -0.76 0.41 0.00 0.00 173.24 171.87 1itf s LEU 9 N -5.27 4.18 0.40 2.44 1.43 -1.26 -4.90 118.68 115.69 1itf s LEU 9 Ca 0.68 0.32 0.28 0.00 -1.03 0.00 0.00 54.13 54.38 1itf s LEU 9 Cb -0.05 -2.88 1.00 0.00 0.03 0.00 0.00 46.19 44.30 1itf s LEU 9 CO 0.46 -0.60 1.81 1.23 0.23 0.00 0.00 176.35 179.48 1itf h GLY 10 N 9.41 0.00 1.15 -3.19 0.00 -2.00 -3.03 103.07 105.40 1itf h GLY 10 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1itf h GLY 10 CO 0.85 0.00 0.49 1.76 0.00 0.00 0.00 176.54 179.64 1itf h SER 11 N 0.00 1.00 -0.13 0.19 0.02 -1.95 -0.99 113.55 111.70 1itf h SER 11 Ca 0.00 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1itf h SER 11 Cb 0.58 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1itf h SER 11 CO 0.00 0.78 -0.21 -0.09 -1.14 0.00 0.00 176.83 176.17 1itf h ARG 12 N 1.14 0.54 -0.44 3.45 9.65 -1.95 -1.36 114.38 125.41 1itf h ARG 12 Ca 0.30 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 1itf h ARG 12 Cb -0.03 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1itf h ARG 12 CO -0.05 0.72 -0.09 0.00 2.80 0.00 0.00 179.97 183.35 1itf h ARG 13 N 0.49 0.79 -0.70 0.20 2.47 -1.42 0.91 114.38 117.12 1itf h ARG 13 Ca 0.08 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1itf h ARG 13 Cb 0.63 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1itf h ARG 13 CO 0.04 0.85 0.28 1.15 0.56 0.00 0.00 179.97 182.86 1itf h THR 14 N 0.72 1.25 -0.11 2.04 2.02 -0.69 -1.69 112.91 116.44 1itf h THR 14 Ca 0.12 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 1itf h THR 14 Cb 0.57 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1itf h THR 14 CO 0.03 0.31 -0.42 -0.07 0.37 0.00 0.00 175.52 175.74 1itf h LEU 15 N 1.00 0.27 -1.16 2.58 3.38 -0.78 -2.24 115.31 118.36 1itf h LEU 15 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1itf h LEU 15 Cb 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1itf h LEU 15 CO -0.02 0.67 0.17 -0.03 0.09 0.00 0.00 178.44 179.32 1itf h MET 16 N 0.22 0.76 -0.37 1.13 4.05 -0.15 -1.02 114.93 119.54 1itf h MET 16 Ca 0.02 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1itf h MET 16 Cb 0.84 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1itf h MET 16 CO 0.07 0.65 0.21 -0.07 0.23 0.00 0.00 176.91 178.00 1itf h LEU 17 N 0.74 0.46 -0.87 3.39 3.38 -0.76 -1.88 115.31 119.78 1itf h LEU 17 Ca 0.17 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1itf h LEU 17 Cb 0.21 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1itf h LEU 17 CO -0.01 0.41 0.53 -0.07 0.09 0.00 0.00 178.44 179.39 1itf h LEU 18 N 0.48 0.80 -0.56 1.67 3.38 -0.82 0.35 115.31 120.62 1itf h LEU 18 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1itf h LEU 18 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1itf h LEU 18 CO -0.02 0.49 0.37 0.00 0.09 0.00 0.00 178.44 179.37 1itf h ALA 19 N 1.44 0.72 0.00 1.53 0.00 -0.59 -1.52 119.26 120.83 1itf h ALA 19 Ca 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1itf h ALA 19 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1itf h ALA 19 CO -0.20 0.16 -0.17 1.96 0.00 0.00 0.00 179.25 181.00 1itf h GLN 20 N 0.76 0.00 0.00 0.00 4.20 -0.54 -2.74 115.11 116.79 1itf h GLN 20 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1itf h GLN 20 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1itf h GLN 20 CO -0.04 0.17 0.00 -1.33 -0.67 0.00 0.00 178.83 176.95 1itf n MET 21 N -3.34 0.07 -2.13 1.46 2.81 0.02 -4.71 117.12 111.30 1itf n MET 21 Ca 0.00 0.19 -0.43 0.00 -1.81 0.00 0.00 57.70 55.65 1itf n MET 21 Cb 0.39 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1itf n MET 21 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1itf s ARG 22 N -3.06 3.57 -0.13 0.03 3.52 -1.04 -4.83 118.95 117.01 1itf s ARG 22 Ca 0.09 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 1itf s ARG 22 Cb 0.13 -4.09 -0.24 0.00 -1.56 0.00 0.00 34.95 29.19 1itf s ARG 22 CO 0.42 -1.56 0.33 1.63 -0.81 0.00 0.00 175.30 175.30 1itf n LYS 23 N 8.04 0.71 -3.72 5.12 4.01 -1.26 -4.96 118.16 126.10 1itf n LYS 23 Ca 0.20 0.24 -0.22 0.00 -0.51 0.00 0.00 58.31 58.01 1itf n LYS 23 Cb 0.46 -1.69 -0.04 0.00 -0.51 0.00 0.00 35.03 33.26 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1itf s ILE 24 N -2.56 2.49 0.00 -0.18 -4.36 -1.26 -5.13 121.20 110.21 1itf s ILE 24 Ca -0.20 -1.43 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1itf s ILE 24 Cb 0.07 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 1itf s ILE 24 CO 0.76 0.00 0.16 -0.94 0.24 0.00 0.00 174.94 175.16 1itf s SER 25 N -4.10 6.21 0.43 4.36 1.04 -1.26 -4.98 113.70 115.40 1itf s SER 25 Ca 0.45 0.29 0.12 0.00 0.48 0.00 0.00 55.95 57.29 1itf s SER 25 Cb -0.01 -1.91 0.95 0.00 0.10 0.00 0.00 66.02 65.14 1itf s SER 25 CO 0.26 0.25 1.99 0.25 0.98 0.00 0.00 173.24 176.97 1itf h LEU 26 N 3.75 0.13 -0.64 2.42 5.85 -1.96 0.94 115.31 125.80 1itf h LEU 26 Ca -0.48 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1itf h LEU 26 Cb 1.18 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1itf h LEU 26 CO 0.69 0.25 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.54 1itf h PHE 27 N 0.14 0.94 0.00 1.25 0.04 -2.00 -1.33 116.94 115.97 1itf h PHE 27 Ca 0.03 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 1itf h PHE 27 Cb 0.26 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1itf h PHE 27 CO 0.00 0.97 -0.27 0.77 -0.60 0.00 0.00 178.31 179.18 1itf h SER 28 N 0.71 0.00 -2.06 2.17 0.02 -1.45 -3.09 113.55 109.85 1itf h SER 28 Ca 0.09 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.38 1itf h SER 28 Cb 0.76 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.94 1itf h SER 28 CO 0.06 0.27 -0.07 0.00 -1.14 0.00 0.00 176.83 175.96 1itf n LEU 30 N -0.30 0.64 0.04 0.00 4.77 -0.75 -3.24 117.00 118.16 1itf n LEU 30 Ca 0.39 -0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1itf n LEU 30 Cb 0.41 -0.03 0.27 0.00 -2.33 0.00 0.00 43.42 41.73 1itf n LEU 30 CO 0.40 0.13 0.51 0.29 -1.33 0.00 0.00 177.39 177.39 1itf n LYS 31 N -0.38 0.17 -0.64 3.23 5.02 -1.26 -3.75 118.16 120.55 1itf n LYS 31 Ca 0.16 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1itf n LYS 31 Cb 0.17 -1.63 0.23 0.00 -0.02 0.00 0.00 35.03 33.79 1itf n LYS 31 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1itf n ASP 32 N -1.89 3.34 -4.56 4.39 -0.08 -1.20 -4.97 116.55 111.58 1itf n ASP 32 Ca 0.05 -3.35 -0.39 0.00 -1.51 0.00 0.00 54.79 49.59 1itf n ASP 32 Cb 0.40 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 43.23 1itf n ASP 32 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1itf s ARG 33 N -3.02 2.61 -0.10 -0.67 0.52 -1.25 -4.86 118.95 112.18 1itf s ARG 33 Ca 0.44 0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 56.49 1itf s ARG 33 Cb 0.38 -4.40 0.05 0.00 0.52 0.00 0.00 34.95 31.50 1itf s ARG 33 CO 0.05 -2.73 0.18 -1.01 0.02 0.00 0.00 175.30 171.81 1itf s HIS 34 N 9.41 -0.21 0.07 -0.53 3.76 -1.26 -5.13 115.29 121.41 1itf s HIS 34 Ca 0.75 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.96 1itf s HIS 34 Cb -0.15 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1itf s HIS 34 CO 0.23 -0.31 0.99 0.34 -0.85 0.00 0.00 174.74 175.14 1itf s ASP 35 N 2.31 7.42 -0.18 1.40 -1.08 -1.26 -4.96 116.67 120.31 1itf s ASP 35 Ca 0.03 1.78 -0.24 0.00 -0.52 0.00 0.00 52.55 53.60 1itf s ASP 35 Cb -0.12 -2.58 -0.22 0.00 -1.46 0.00 0.00 42.92 38.54 1itf s ASP 35 CO -0.07 -0.16 0.41 -0.26 0.52 0.00 0.00 175.17 175.61 1itf h PHE 36 N 6.04 0.02 0.00 -5.34 -1.00 -1.98 -3.50 116.94 111.17 1itf h PHE 36 Ca -0.42 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1itf h PHE 36 Cb 1.21 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1itf h PHE 36 CO 0.66 1.33 0.00 0.41 -1.61 0.00 0.00 178.31 179.10 1itf n GLY 37 N 1.50 0.76 3.73 -1.45 0.00 -1.26 -5.06 105.19 103.42 1itf n GLY 37 Ca -0.25 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.48 3.43 -1.35 1.61 5.36 -1.26 -4.84 117.98 120.45 1itf s PHE 38 Ca 0.00 1.41 -0.16 0.00 -0.96 0.00 0.00 56.93 57.22 1itf s PHE 38 Cb 0.00 -3.43 0.07 0.00 -0.34 0.00 0.00 43.02 39.32 1itf s PHE 38 CO 0.00 -1.21 1.90 -0.35 -1.46 0.00 0.00 175.22 174.10 1itf n PRO 39 N 2.67 3.11 0.07 10.12 -0.04 -1.26 -4.68 135.00 144.99 1itf n PRO 39 Ca 0.05 -3.10 0.13 0.00 -0.04 0.00 0.00 63.50 60.54 1itf n PRO 39 Cb 0.45 -3.35 0.47 0.00 -0.04 0.00 0.00 33.50 31.03 1itf n PRO 39 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1itf n GLN 40 N 7.08 0.16 0.26 0.54 0.00 -1.26 -2.64 117.38 121.53 1itf n GLN 40 Ca 0.49 0.17 0.09 0.00 -0.00 0.00 0.00 57.00 57.75 1itf n GLN 40 Cb 0.43 -1.70 0.69 0.00 0.00 0.00 0.00 30.24 29.65 1itf n GLN 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1itf h GLU 41 N 0.00 0.00 -0.17 3.69 4.81 -2.00 0.51 114.58 121.42 1itf h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1itf h GLU 41 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1itf h GLU 41 CO 0.00 0.05 0.00 0.39 -0.73 0.00 0.00 179.01 178.72 1itf n GLU 42 N -4.27 1.45 -2.83 1.92 -0.58 -1.08 -3.97 120.64 111.29 1itf n GLU 42 Ca -0.03 -0.70 -0.20 0.00 -0.42 0.00 0.00 57.16 55.82 1itf n GLU 42 Cb 0.13 -1.22 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1itf n PHE 43 N 0.02 2.05 0.00 -0.32 3.72 0.18 -4.84 117.46 118.26 1itf n PHE 43 Ca 0.09 -3.42 0.00 0.00 -0.05 0.00 0.00 57.45 54.07 1itf n PHE 43 Cb 0.18 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1itf n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1itf n GLY 44 N -0.10 -0.59 3.88 1.37 0.00 -1.24 -4.69 105.19 103.81 1itf n GLY 44 Ca 0.25 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1itf n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itf s ASN 45 N 1.35 6.33 -0.85 1.61 0.01 -1.26 -3.77 114.94 118.37 1itf s ASN 45 Ca 0.00 1.17 -0.06 0.00 -0.71 0.00 0.00 52.86 53.26 1itf s ASN 45 Cb 0.00 -2.35 0.05 0.00 0.41 0.00 0.00 41.25 39.36 1itf s ASN 45 CO 0.00 -0.63 0.23 0.00 -1.51 0.00 0.00 177.10 175.18 1itf n GLN 46 N -2.16 -2.64 -2.75 -0.60 10.64 -1.26 -4.75 117.38 113.86 1itf n GLN 46 Ca 0.03 0.28 -0.03 0.00 -1.83 0.00 0.00 57.00 55.45 1itf n GLN 46 Cb 0.54 -4.87 0.08 0.00 -0.86 0.00 0.00 30.24 25.14 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1itf n PHE 47 N -3.31 -0.20 -4.54 2.61 3.72 -1.25 -4.89 117.46 109.60 1itf n PHE 47 Ca -0.02 -2.08 -0.21 0.00 -0.05 0.00 0.00 57.45 55.09 1itf n PHE 47 Cb 0.53 0.51 -0.15 0.00 -0.94 0.00 0.00 39.48 39.43 1itf n PHE 47 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1itf s GLN 48 N -2.05 1.00 -0.19 -1.08 -0.21 -1.26 -4.21 119.66 111.66 1itf s GLN 48 Ca 0.21 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 55.13 1itf s GLN 48 Cb 0.39 -0.96 0.01 0.00 1.00 0.00 0.00 33.01 33.45 1itf s GLN 48 CO -0.06 0.25 0.05 1.17 -2.12 0.00 0.00 175.29 174.58 1itf n LYS 49 N 2.83 -2.69 -3.75 2.91 4.81 -1.26 -4.32 118.16 116.68 1itf n LYS 49 Ca -0.14 2.25 -0.24 0.00 -0.87 0.00 0.00 58.31 59.31 1itf n LYS 49 Cb 0.56 -4.00 0.04 0.00 0.02 0.00 0.00 35.03 31.64 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1itf n ALA 50 N 0.71 -1.69 0.00 3.14 0.00 -1.26 -4.87 120.51 116.54 1itf n ALA 50 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1itf n ALA 50 Cb 0.14 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 -4.48 0.00 0.00 0.00 -0.58 -1.26 -4.38 120.64 109.94 1itf n GLU 51 Ca -0.15 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.71 1itf n GLU 51 Cb 0.61 -0.48 0.29 0.00 -0.57 0.00 0.00 31.44 31.29 1itf n GLU 51 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1itf n THR 52 N -2.69 0.00 -0.28 2.62 -2.24 -1.26 -4.29 114.28 106.14 1itf n THR 52 Ca 0.00 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1itf n THR 52 Cb 0.35 0.26 0.21 0.00 -2.10 0.00 0.00 70.33 69.05 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1itf h ILE 53 N 0.25 0.29 -0.37 2.28 2.04 -1.90 1.37 117.51 121.47 1itf h ILE 53 Ca 0.00 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1itf h ILE 53 Cb 0.50 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1itf h ILE 53 CO 0.00 0.02 -0.18 1.55 0.00 0.00 0.00 178.15 179.54 1itf h PRO 54 N 0.12 0.70 -0.27 2.37 0.13 -1.85 0.12 132.00 133.32 1itf h PRO 54 Ca 0.48 -0.26 -0.18 0.00 -0.87 0.00 0.00 66.00 65.17 1itf h PRO 54 Cb 0.90 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1itf h PRO 54 CO -0.70 0.84 -0.55 0.28 -0.23 0.00 0.00 178.00 177.64 1itf h VAL 55 N 0.62 1.28 -0.18 1.56 2.07 -0.39 -2.41 116.25 118.81 1itf h VAL 55 Ca 0.10 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 65.77 1itf h VAL 55 Cb 0.66 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1itf h VAL 55 CO 0.05 0.56 -0.33 -0.07 0.02 0.00 0.00 177.57 177.80 1itf h LEU 56 N 0.62 0.38 -0.30 2.57 3.38 0.18 0.14 115.31 122.28 1itf h LEU 56 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1itf h LEU 56 Cb 1.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1itf h LEU 56 CO 0.12 0.70 0.14 -0.74 0.09 0.00 0.00 178.44 178.74 1itf h HIS 57 N 0.32 0.44 0.00 1.13 2.76 -0.58 0.16 115.15 119.39 1itf h HIS 57 Ca 0.04 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 1itf h HIS 57 Cb 0.74 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1itf h HIS 57 CO 0.02 0.41 -0.55 0.93 -1.30 0.00 0.00 177.93 177.44 1itf h GLU 58 N 0.35 0.00 -0.50 5.26 4.39 -1.22 -1.82 114.58 121.03 1itf h GLU 58 Ca 0.10 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1itf h GLU 58 Cb 0.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1itf h GLU 58 CO -0.01 0.55 0.04 1.98 -1.16 0.00 0.00 179.01 180.41 1itf h MET 59 N 0.00 0.80 -0.12 2.33 1.85 -0.05 0.03 114.93 119.77 1itf h MET 59 Ca -0.01 -0.19 -0.14 0.00 -0.61 0.00 0.00 59.70 58.75 1itf h MET 59 Cb 0.98 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1itf h MET 59 CO 0.07 0.78 -0.54 0.82 -0.40 0.00 0.00 176.91 177.63 1itf h ILE 60 N 0.75 1.35 -0.23 1.77 1.08 -0.29 -1.87 117.51 120.08 1itf h ILE 60 Ca 0.15 -1.83 -0.13 0.00 -0.39 0.00 0.00 64.86 62.67 1itf h ILE 60 Cb 0.39 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1itf h ILE 60 CO 0.01 0.55 -0.40 1.56 -0.69 0.00 0.00 178.15 179.18 1itf h GLN 61 N 0.26 0.53 -0.27 2.37 1.08 -0.57 0.30 115.11 118.83 1itf h GLN 61 Ca 0.00 -0.27 -0.19 0.00 -1.45 0.00 0.00 58.65 56.75 1itf h GLN 61 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1itf h GLN 61 CO 0.09 0.85 -0.57 1.96 -0.95 0.00 0.00 178.83 180.21 1itf h GLN 62 N 0.44 0.85 0.00 1.46 1.08 -0.84 -1.74 115.11 116.36 1itf h GLN 62 Ca 0.04 -0.56 -0.13 0.00 -1.45 0.00 0.00 58.65 56.55 1itf h GLN 62 Cb 0.89 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1itf h GLN 62 CO 0.08 1.19 -0.61 0.82 -0.95 0.00 0.00 178.83 179.36 1itf h ILE 63 N 0.63 1.17 -0.35 2.54 2.04 -1.26 0.30 117.51 122.58 1itf h ILE 63 Ca 0.00 -2.30 -0.09 0.00 1.00 0.00 0.00 64.86 63.47 1itf h ILE 63 Cb 1.18 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1itf h ILE 63 CO 0.13 0.59 -0.14 0.15 0.00 0.00 0.00 178.15 178.88 1itf h PHE 64 N 0.00 0.81 0.22 1.37 3.04 -0.26 -1.74 116.94 120.38 1itf h PHE 64 Ca -0.01 -0.19 -0.32 0.00 3.98 0.00 0.00 57.97 61.43 1itf h PHE 64 Cb 1.30 -0.19 0.03 0.00 2.56 0.00 0.00 35.95 39.64 1itf h PHE 64 CO 0.00 0.90 -1.43 -0.97 -2.02 0.00 0.00 178.31 174.79 1itf h ASN 65 N 0.49 0.72 -0.14 0.41 -1.24 -1.31 0.17 115.58 114.69 1itf h ASN 65 Ca 0.08 -0.78 0.01 0.00 0.71 0.00 0.00 56.30 56.32 1itf h ASN 65 Cb 0.67 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 1itf h ASN 65 CO 0.05 1.62 0.10 0.25 -1.29 0.00 0.00 177.43 178.15 1itf h LEU 66 N 0.13 0.12 0.00 0.34 5.85 -0.94 -0.82 115.31 119.98 1itf h LEU 66 Ca -0.23 -0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.23 1itf h LEU 66 Cb 2.12 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 43.07 1itf h LEU 66 CO 0.25 0.09 -1.99 0.49 -0.34 0.00 0.00 178.44 176.94 1itf n PHE 67 N -4.51 0.42 0.30 1.25 3.01 -0.66 -4.12 117.46 113.16 1itf n PHE 67 Ca -0.01 0.15 0.15 0.00 1.01 0.00 0.00 57.45 58.76 1itf n PHE 67 Cb 0.12 -1.00 0.54 0.00 -0.01 0.00 0.00 39.48 39.13 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 -3.57 4.37 0.87 -0.09 -3.08 113.55 112.06 1itf h SER 68 Ca -0.34 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.65 1itf h SER 68 Cb 1.90 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 64.04 1itf h SER 68 CO 0.04 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 176.69 1itf n THR 69 N -2.93 3.02 0.31 2.23 -2.24 -0.37 -4.63 114.28 109.67 1itf n THR 69 Ca 0.02 -0.44 0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1itf n THR 69 Cb 0.34 -1.03 0.97 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.03 0.00 0.05 -0.78 3.64 -1.92 0.22 116.57 117.82 1itf h LYS 70 Ca -0.47 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.73 1itf h LYS 70 Cb 1.35 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1itf h LYS 70 CO 0.48 0.03 -0.72 -0.44 -2.27 0.00 0.00 179.45 176.52 1itf h ASP 71 N 0.00 0.54 0.95 4.20 3.32 -1.92 -2.77 116.42 120.74 1itf h ASP 71 Ca -0.00 -0.82 -0.18 0.00 0.02 0.00 0.00 57.03 56.04 1itf h ASP 71 Cb 0.19 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1itf h ASP 71 CO 0.00 1.31 -0.88 -1.28 -1.72 0.00 0.00 179.24 176.67 1itf h SER 72 N -0.15 0.00 -0.48 6.45 0.87 -1.65 -0.84 113.55 117.74 1itf h SER 72 Ca -0.10 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 1itf h SER 72 Cb 1.46 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.40 1itf h SER 72 CO 0.14 0.88 0.01 0.77 -0.53 0.00 0.00 176.83 178.10 1itf h SER 73 N 0.00 0.86 1.63 6.23 4.64 -0.47 -0.73 113.55 125.71 1itf h SER 73 Ca -0.01 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 1itf h SER 73 Cb 1.59 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1itf h SER 73 CO 0.11 0.91 -0.37 0.00 -0.87 0.00 0.00 176.83 176.62 1itf h ALA 74 N 1.18 0.82 -0.08 5.18 0.00 -1.48 -3.25 119.26 121.64 1itf h ALA 74 Ca 0.16 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1itf h ALA 74 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1itf h ALA 74 CO 0.02 0.20 -0.60 0.00 0.00 0.00 0.00 179.25 178.87 1itf h ALA 75 N 1.85 0.84 -1.24 0.00 0.00 -0.31 -3.46 119.26 116.94 1itf h ALA 75 Ca -0.01 -0.54 -0.64 0.00 0.00 0.00 0.00 54.91 53.72 1itf h ALA 75 Cb 1.12 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1itf h ALA 75 CO 0.02 0.73 -0.56 -1.58 0.00 0.00 0.00 179.25 177.86 1itf s TRP 76 N -3.77 2.31 0.26 0.00 0.52 -0.36 -5.00 118.94 112.91 1itf s TRP 76 Ca -0.04 -0.75 -0.29 0.00 0.02 0.00 0.00 56.10 55.04 1itf s TRP 76 Cb 0.12 -1.76 -0.09 0.00 -1.15 0.00 0.00 33.47 30.59 1itf s TRP 76 CO 0.80 0.33 1.26 -0.51 0.02 0.00 0.00 176.95 178.85 1itf s ASP 77 N -3.80 6.93 0.43 2.95 1.11 -1.26 -4.80 116.67 118.23 1itf s ASP 77 Ca 0.27 2.48 0.18 0.00 0.18 0.00 0.00 52.55 55.66 1itf s ASP 77 Cb 0.07 -2.63 0.96 0.00 1.07 0.00 0.00 42.92 42.39 1itf s ASP 77 CO 0.14 -0.45 1.90 1.05 1.18 0.00 0.00 175.17 179.00 1itf h GLU 78 N 4.31 0.00 0.06 8.23 4.11 -1.97 0.29 114.58 129.62 1itf h GLU 78 Ca -0.47 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.82 1itf h GLU 78 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.71 0.27 -0.61 1.15 0.07 0.00 0.00 179.01 180.60 1itf h THR 79 N 0.00 1.51 -0.63 -1.06 2.02 -1.97 0.27 112.91 113.05 1itf h THR 79 Ca -0.00 -2.29 -0.05 0.00 0.77 0.00 0.00 66.41 64.84 1itf h THR 79 Cb 0.56 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.89 1itf h THR 79 CO 0.04 0.65 0.20 -0.07 0.37 0.00 0.00 175.52 176.70 1itf h LEU 80 N -0.34 0.90 -0.73 2.58 3.38 -1.91 -1.25 115.31 117.94 1itf h LEU 80 Ca -0.09 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1itf h LEU 80 Cb 1.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1itf h LEU 80 CO 0.12 0.84 -0.52 -0.07 0.09 0.00 0.00 178.44 178.89 1itf h LEU 81 N 0.93 0.33 -0.00 1.67 3.38 -0.45 -1.13 115.31 120.03 1itf h LEU 81 Ca 0.21 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1itf h LEU 81 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1itf h LEU 81 CO -0.01 0.79 -0.17 -0.78 0.09 0.00 0.00 178.44 178.36 1itf h ASP 82 N 0.23 -0.50 0.30 -0.43 1.82 0.67 0.41 116.42 118.93 1itf h ASP 82 Ca 0.01 0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 1itf h ASP 82 Cb 1.00 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1itf h ASP 82 CO 0.08 -0.23 -0.34 0.11 -1.61 0.00 0.00 179.24 177.26 1itf h LYS 83 N -0.28 0.06 0.00 0.28 1.79 -1.28 -1.76 116.57 115.38 1itf h LYS 83 Ca 0.05 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1itf h LYS 83 Cb 0.35 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1itf h LYS 83 CO -0.16 0.39 -0.32 0.35 -1.08 0.00 0.00 179.45 178.63 1itf h PHE 84 N 0.05 0.00 0.05 -1.35 3.57 0.21 0.08 116.94 119.54 1itf h PHE 84 Ca 0.01 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1itf h PHE 84 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1itf h PHE 84 CO 0.00 0.32 -1.03 1.88 -2.23 0.00 0.00 178.31 177.25 1itf h TYR 85 N 0.00 0.38 -0.21 0.41 0.05 0.57 -1.69 116.97 116.47 1itf h TYR 85 Ca -0.00 -0.24 -0.13 0.00 0.05 0.00 0.00 58.73 58.41 1itf h TYR 85 Cb 0.58 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1itf h TYR 85 CO 0.00 1.11 -0.43 1.15 -1.05 0.00 0.00 178.16 178.95 1itf h THR 86 N 0.10 1.31 -0.03 -2.88 2.02 -0.78 -0.08 112.91 112.57 1itf h THR 86 Ca -0.08 -1.60 -0.17 0.00 0.77 0.00 0.00 66.41 65.32 1itf h THR 86 Cb 1.71 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1itf h THR 86 CO 0.16 0.50 -0.76 -0.33 0.37 0.00 0.00 175.52 175.47 1itf h GLU 87 N 0.42 0.22 -0.34 6.66 4.39 -0.99 0.98 114.58 125.92 1itf h GLU 87 Ca 0.03 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.37 1itf h GLU 87 Cb 0.92 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1itf h GLU 87 CO 0.08 0.87 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.30 1itf h LEU 88 N 0.14 0.97 -0.40 1.33 3.38 -1.05 -1.00 115.31 118.68 1itf h LEU 88 Ca -0.03 -0.49 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 1itf h LEU 88 Cb 1.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1itf h LEU 88 CO 0.12 1.27 -0.76 0.22 0.09 0.00 0.00 178.44 179.38 1itf h TYR 89 N 0.69 0.00 -0.11 1.13 3.20 -0.96 0.26 116.97 121.18 1itf h TYR 89 Ca 0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1itf h TYR 89 Cb 1.03 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1itf h TYR 89 CO 0.07 0.76 -0.03 0.37 -1.64 0.00 0.00 178.16 177.68 1itf h GLN 90 N 0.00 0.22 0.00 1.82 5.75 -0.68 0.21 115.11 122.43 1itf h GLN 90 Ca -0.01 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1itf h GLN 90 Cb 1.39 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 1itf h GLN 90 CO 0.10 0.53 -0.29 1.96 -2.65 0.00 0.00 178.83 178.48 1itf h GLN 91 N -0.10 0.00 -0.03 1.69 1.08 -1.17 -1.71 115.11 114.87 1itf h GLN 91 Ca 0.03 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 1itf h GLN 91 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1itf h GLN 91 CO 0.01 0.29 -0.59 -0.07 -0.95 0.00 0.00 178.83 177.52 1itf h LEU 92 N 0.00 0.13 -0.18 1.46 3.38 -0.46 0.15 115.31 119.78 1itf h LEU 92 Ca -0.00 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1itf h LEU 92 Cb 0.56 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1itf h LEU 92 CO 0.04 0.69 -0.52 -1.13 0.09 0.00 0.00 178.44 177.60 1itf h ASN 93 N 0.08 0.77 -0.17 -0.43 -1.24 0.28 0.13 115.58 115.01 1itf h ASN 93 Ca -0.01 -0.59 -0.07 0.00 0.71 0.00 0.00 56.30 56.35 1itf h ASN 93 Cb 1.06 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.89 1itf h ASN 93 CO 0.08 1.22 -0.16 0.44 -1.29 0.00 0.00 177.43 177.72 1itf h ASP 94 N 0.36 0.43 -0.41 1.15 3.32 -1.32 -0.31 116.42 119.64 1itf h ASP 94 Ca -0.01 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 1itf h ASP 94 Cb 1.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1itf h ASP 94 CO 0.11 0.82 0.11 -0.07 -1.72 0.00 0.00 179.24 178.49 1itf h LEU 95 N 0.05 0.67 -0.07 1.55 3.38 -0.99 -2.91 115.31 116.99 1itf h LEU 95 Ca 0.03 -0.11 -0.25 0.00 0.09 0.00 0.00 57.88 57.63 1itf h LEU 95 Cb 0.70 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1itf h LEU 95 CO 0.04 0.67 -0.94 -0.08 0.09 0.00 0.00 178.44 178.22 1itf h GLU 96 N 0.70 0.74 -0.75 1.13 4.57 -0.64 -3.12 114.58 117.20 1itf h GLU 96 Ca 0.16 -0.71 0.16 0.00 -1.18 0.00 0.00 59.36 57.78 1itf h GLU 96 Cb 0.28 0.18 -0.11 0.00 -0.16 0.00 0.00 28.75 28.94 1itf h GLU 96 CO -0.00 1.30 0.22 0.00 -1.18 0.00 0.00 179.01 179.35 1itf h ALA 97 N 0.47 1.01 -0.42 2.92 0.00 -0.85 0.45 119.26 122.84 1itf h ALA 97 Ca -0.10 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1itf h ALA 97 Cb 1.59 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1itf h ALA 97 CO 0.19 -0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.22 1itf h VAL 99 N 0.54 1.08 0.09 0.00 2.07 -0.75 -2.34 116.25 116.94 1itf h VAL 99 Ca 0.13 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1itf h VAL 99 Cb 0.34 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1itf h VAL 99 CO 0.00 0.11 -0.12 0.40 0.02 0.00 0.00 177.57 177.98 1itf h ILE 100 N 0.10 0.71 -2.60 4.57 1.08 0.32 -3.43 117.51 118.26 1itf h ILE 100 Ca 0.02 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.34 1itf h ILE 100 Cb 0.16 0.71 0.06 0.00 -3.07 0.00 0.00 36.82 34.69 1itf h ILE 100 CO 0.01 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 177.61 1itf n GLN 101 N -5.25 -0.63 0.29 2.37 3.00 -0.89 -4.90 117.38 111.37 1itf n GLN 101 Ca -0.07 -0.72 0.19 0.00 -0.01 0.00 0.00 57.00 56.39 1itf n GLN 101 Cb 0.17 -0.50 1.00 0.00 0.00 0.00 0.00 30.24 30.90 1itf n GLN 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1itf h GLY 102 N -0.71 0.00 -1.86 1.08 0.00 -1.83 -3.43 103.07 96.31 1itf h GLY 102 Ca -0.15 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.64 1itf h GLY 102 CO 0.11 0.00 0.42 0.14 0.00 0.00 0.00 176.54 177.21 1itf s VAL 103 N -3.93 2.28 0.00 4.60 1.01 -1.17 -4.59 120.40 118.60 1itf s VAL 103 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1itf s VAL 103 Cb 0.11 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1itf s VAL 103 CO 0.38 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1itf n GLY 104 N 0.50 1.07 3.83 4.51 0.00 -1.26 -3.31 105.19 110.53 1itf n GLY 104 Ca 0.14 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1itf n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itf s VAL 105 N 0.00 2.67 0.14 1.61 -7.23 -1.26 -4.59 120.40 111.74 1itf s VAL 105 Ca 0.00 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1itf s VAL 105 Cb 0.00 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.95 1itf s VAL 105 CO 0.00 -0.03 0.16 0.35 -0.31 0.00 0.00 175.10 175.27 1itf n THR 106 N -1.42 0.00 -0.01 5.32 -2.24 -1.26 -5.07 114.28 109.60 1itf n THR 106 Ca 0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1itf n THR 106 Cb 0.62 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1itf n THR 106 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1itf n GLU 107 N -1.12 1.36 0.15 -0.78 2.13 -1.26 -4.81 120.64 116.31 1itf n GLU 107 Ca 0.02 -0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1itf n GLU 107 Cb 0.15 -1.07 -0.04 0.00 0.27 0.00 0.00 31.44 30.75 1itf n GLU 107 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1itf h THR 108 N 0.00 0.05 -4.29 6.31 2.02 -2.06 -3.46 112.91 111.48 1itf h THR 108 Ca -0.03 -0.69 -0.50 0.00 0.77 0.00 0.00 66.41 65.96 1itf h THR 108 Cb 0.52 0.08 0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1itf h THR 108 CO 0.00 0.01 0.38 -2.16 0.37 0.00 0.00 175.52 174.12 1itf s PRO 109 N -3.08 3.27 0.00 6.66 0.04 -1.26 -4.96 135.00 135.67 1itf s PRO 109 Ca -0.07 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.23 1itf s PRO 109 Cb 0.01 -2.03 0.99 0.00 0.04 0.00 0.00 34.50 33.51 1itf s PRO 109 CO 0.22 -0.84 1.72 -0.11 0.04 0.00 0.00 177.00 178.04 1itf n LEU 110 N -2.60 0.52 0.00 -3.56 7.94 -1.26 -4.00 117.00 114.03 1itf n LEU 110 Ca 0.07 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1itf n LEU 110 Cb 0.53 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1itf n LEU 110 CO 0.53 0.10 0.45 1.15 -1.11 0.00 0.00 177.39 178.51 1itf n MET 111 N -1.08 0.00 -0.19 1.96 0.00 -1.26 -3.07 117.12 113.48 1itf n MET 111 Ca 0.11 0.34 -0.08 0.00 0.00 0.00 0.00 57.70 58.07 1itf n MET 111 Cb 0.31 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 1itf n MET 111 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1itf h LYS 112 N 0.00 -0.23 0.00 3.17 1.57 -1.88 -2.86 116.57 116.34 1itf h LYS 112 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1itf h LYS 112 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1itf h LYS 112 CO 0.00 -0.15 -0.26 -0.85 -0.57 0.00 0.00 179.45 177.62 1itf n GLU 113 N -5.41 1.37 0.09 3.15 0.28 -1.17 -4.69 120.64 114.26 1itf n GLU 113 Ca 0.02 -2.87 -0.13 0.00 -0.16 0.00 0.00 57.16 54.02 1itf n GLU 113 Cb 0.35 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 1itf n GLU 113 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1itf h ASP 114 N 0.48 0.38 -0.09 -1.84 2.03 -1.51 0.38 116.42 116.25 1itf h ASP 114 Ca -0.00 -0.36 -0.22 0.00 -0.73 0.00 0.00 57.03 55.72 1itf h ASP 114 Cb 1.03 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.41 1itf h ASP 114 CO 0.00 1.21 -0.77 -1.28 -1.03 0.00 0.00 179.24 177.37 1itf h SER 115 N 0.12 0.89 -0.19 4.15 0.87 -1.84 -1.64 113.55 115.91 1itf h SER 115 Ca -0.09 -0.58 -0.05 0.00 -1.23 0.00 0.00 61.79 59.84 1itf h SER 115 Cb 1.74 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1itf h SER 115 CO 0.17 1.37 -0.04 0.40 -0.53 0.00 0.00 176.83 178.20 1itf h ILE 116 N 0.51 1.20 -0.38 2.23 2.04 -1.83 -1.23 117.51 120.06 1itf h ILE 116 Ca -0.05 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1itf h ILE 116 Cb 1.39 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1itf h ILE 116 CO 0.16 0.28 -0.05 -0.07 0.00 0.00 0.00 178.15 178.46 1itf h LEU 117 N 0.47 0.60 -0.28 1.44 3.38 0.11 0.44 115.31 121.47 1itf h LEU 117 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1itf h LEU 117 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1itf h LEU 117 CO 0.02 0.71 -0.12 0.00 0.09 0.00 0.00 178.44 179.14 1itf h ALA 118 N 1.36 0.39 0.00 1.53 0.00 -0.41 -1.92 119.26 120.21 1itf h ALA 118 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1itf h ALA 118 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1itf h ALA 118 CO 0.02 0.25 -0.13 0.28 0.00 0.00 0.00 179.25 179.68 1itf h VAL 119 N 0.31 0.46 -0.11 0.00 2.07 -0.81 -1.75 116.25 116.42 1itf h VAL 119 Ca 0.06 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1itf h VAL 119 Cb 0.63 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1itf h VAL 119 CO 0.04 0.12 -0.17 -0.09 0.02 0.00 0.00 177.57 177.49 1itf h ARG 120 N 0.00 0.31 0.00 1.57 2.43 0.53 -0.59 114.38 118.63 1itf h ARG 120 Ca -0.00 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1itf h ARG 120 Cb 0.44 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1itf h ARG 120 CO 0.02 0.76 -0.38 1.57 -1.51 0.00 0.00 179.97 180.43 1itf h LYS 121 N -0.11 0.00 -0.01 0.20 2.10 -1.15 0.11 116.57 117.71 1itf h LYS 121 Ca 0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1itf h LYS 121 Cb 0.73 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1itf h LYS 121 CO 0.04 0.38 -0.01 -0.92 -2.00 0.00 0.00 179.45 176.94 1itf h TYR 122 N 0.00 0.04 0.00 0.07 3.20 -1.20 -2.06 116.97 117.02 1itf h TYR 122 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1itf h TYR 122 Cb 0.81 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1itf h TYR 122 CO 0.00 0.46 -0.35 0.74 -1.64 0.00 0.00 178.16 177.37 1itf h PHE 123 N -0.40 0.00 -0.59 -3.82 -1.00 -0.99 -2.22 116.94 107.92 1itf h PHE 123 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1itf h PHE 123 Cb 0.45 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1itf h PHE 123 CO 0.08 0.35 0.20 0.37 -1.61 0.00 0.00 178.31 177.69 1itf h GLN 124 N 0.00 0.92 -0.71 1.51 5.75 -0.65 0.47 115.11 122.40 1itf h GLN 124 Ca -0.00 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 1itf h GLN 124 Cb 0.78 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1itf h GLN 124 CO 0.05 0.81 0.18 -0.09 -2.65 0.00 0.00 178.83 177.13 1itf h ARG 125 N 0.84 1.12 -0.57 1.69 9.65 -1.02 -1.52 114.38 124.57 1itf h ARG 125 Ca 0.19 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 1itf h ARG 125 Cb 0.27 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 1itf h ARG 125 CO -0.01 0.98 0.19 0.82 2.80 0.00 0.00 179.97 184.76 1itf h ILE 126 N 1.07 1.21 -0.41 1.20 2.04 -0.80 -0.00 117.51 121.82 1itf h ILE 126 Ca 0.22 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1itf h ILE 126 Cb 0.36 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1itf h ILE 126 CO 0.00 0.27 -0.21 0.74 0.00 0.00 0.00 178.15 178.95 1itf h THR 127 N 0.82 1.28 -0.16 -0.27 2.02 -0.30 -1.60 112.91 114.69 1itf h THR 127 Ca 0.19 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 65.88 1itf h THR 127 Cb 0.21 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1itf h THR 127 CO -0.01 0.46 -0.46 -0.07 0.37 0.00 0.00 175.52 175.80 1itf h LEU 128 N 0.69 0.42 -0.53 2.58 -0.00 -0.96 -1.61 115.31 115.90 1itf h LEU 128 Ca 0.09 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.71 1itf h LEU 128 Cb 0.78 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 1itf h LEU 128 CO 0.06 0.82 0.08 0.22 -0.00 0.00 0.00 178.44 179.63 1itf h TYR 129 N 0.32 0.93 -0.44 1.13 5.03 -0.85 0.08 116.97 123.16 1itf h TYR 129 Ca 0.02 -0.13 -0.04 0.00 2.58 0.00 0.00 58.73 61.16 1itf h TYR 129 Cb 0.93 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.94 1itf h TYR 129 CO 0.03 0.83 0.10 -0.07 -1.32 0.00 0.00 178.16 177.73 1itf h LEU 130 N 0.76 0.62 -0.86 2.82 3.38 -1.10 -1.50 115.31 119.42 1itf h LEU 130 Ca 0.16 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1itf h LEU 130 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1itf h LEU 130 CO 0.01 0.62 -0.30 0.50 0.09 0.00 0.00 178.44 179.36 1itf h LYS 131 N 0.65 0.50 0.21 1.13 1.63 -0.60 0.59 116.57 120.67 1itf h LYS 131 Ca 0.15 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1itf h LYS 131 Cb 0.26 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1itf h LYS 131 CO -0.00 0.74 -0.10 1.49 -3.45 0.00 0.00 179.45 178.13 1itf h GLU 132 N 0.43 -0.28 0.00 1.90 4.57 -0.04 -2.44 114.58 118.72 1itf h GLU 132 Ca 0.06 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1itf h GLU 132 Cb 0.74 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1itf h GLU 132 CO 0.06 0.01 0.00 1.63 -1.18 0.00 0.00 179.01 179.53 1itf n LYS 133 N -5.09 0.97 -3.65 1.92 4.01 -0.68 -4.89 118.16 110.74 1itf n LYS 133 Ca -0.09 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.49 1itf n LYS 133 Cb 0.22 -1.43 0.06 0.00 -0.51 0.00 0.00 35.03 33.37 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 -0.93 -6.05 -3.45 1.97 5.02 0.70 -2.59 118.16 112.83 1itf n LYS 134 Ca 0.20 0.72 -0.18 0.00 -2.02 0.00 0.00 58.31 57.02 1itf n LYS 134 Cb 0.09 -5.55 0.07 0.00 -0.02 0.00 0.00 35.03 29.62 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 -4.45 -2.19 -1.92 2.13 4.01 0.17 -4.99 117.16 109.93 1itf n TYR 135 Ca -0.18 0.88 -0.30 0.00 -0.16 0.00 0.00 57.90 58.14 1itf n TYR 135 Cb 0.63 -4.66 0.03 0.00 -0.31 0.00 0.00 39.34 35.03 1itf n TYR 135 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1itf s SER 136 N -4.09 5.75 0.11 7.72 0.01 -1.07 -4.91 113.70 117.22 1itf s SER 136 Ca 0.13 1.21 -0.14 0.00 1.31 0.00 0.00 55.95 58.46 1itf s SER 136 Cb -0.02 -2.12 -0.07 0.00 0.21 0.00 0.00 66.02 64.02 1itf s SER 136 CO 0.75 -1.14 1.44 1.55 0.41 0.00 0.00 173.24 176.24 1itf h PRO 137 N -0.50 0.78 -0.51 12.44 0.13 -1.94 -0.52 132.00 141.89 1itf h PRO 137 Ca -0.45 -0.42 -0.07 0.00 -0.87 0.00 0.00 66.00 64.20 1itf h PRO 137 Cb 1.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1itf h PRO 137 CO 0.63 1.04 0.04 0.00 -0.23 0.00 0.00 178.00 179.48 1itf h ALA 139 N 0.95 1.07 -0.29 0.00 0.00 -1.89 -1.86 119.26 117.24 1itf h ALA 139 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1itf h ALA 139 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1itf h ALA 139 CO 0.02 0.58 -0.18 -1.49 0.00 0.00 0.00 179.25 178.18 1itf h TRP 140 N 0.72 0.57 -0.14 0.00 4.06 -0.76 -1.55 115.95 118.85 1itf h TRP 140 Ca 0.13 -0.10 -0.20 0.00 2.06 0.00 0.00 58.89 60.78 1itf h TRP 140 Cb 0.50 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1itf h TRP 140 CO 0.03 0.67 -0.73 1.49 -3.56 0.00 0.00 178.44 176.34 1itf h GLU 141 N 0.47 0.65 -0.83 0.49 4.81 -0.95 0.30 114.58 119.52 1itf h GLU 141 Ca 0.08 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1itf h GLU 141 Cb 0.59 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 1itf h GLU 141 CO 0.04 1.13 0.50 0.28 -0.73 0.00 0.00 179.01 180.23 1itf h VAL 142 N 0.45 1.23 -0.00 0.32 2.07 -1.12 0.01 116.25 119.21 1itf h VAL 142 Ca -0.04 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 1itf h VAL 142 Cb 1.34 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1itf h VAL 142 CO 0.14 0.24 -0.68 0.58 0.02 0.00 0.00 177.57 177.87 1itf h VAL 143 N 1.14 1.49 0.21 2.57 2.07 -1.08 -2.11 116.25 120.54 1itf h VAL 143 Ca 0.30 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1itf h VAL 143 Cb -0.05 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1itf h VAL 143 CO -0.06 0.67 -0.10 -0.09 0.02 0.00 0.00 177.57 178.01 1itf h ARG 144 N 0.00 -0.27 -0.52 1.57 1.12 0.14 0.44 114.38 116.86 1itf h ARG 144 Ca -0.01 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.82 1itf h ARG 144 Cb 1.21 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 31.20 1itf h ARG 144 CO 0.09 -0.15 0.08 0.00 -3.11 0.00 0.00 179.97 176.88 1itf h ALA 145 N 0.48 1.17 0.00 2.80 0.00 -1.14 -1.16 119.26 121.42 1itf h ALA 145 Ca -0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1itf h ALA 145 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1itf h ALA 145 CO 0.05 0.55 -0.48 0.93 0.00 0.00 0.00 179.25 180.30 1itf h GLU 146 N 0.78 0.00 0.01 0.00 4.39 -1.00 -1.09 114.58 117.67 1itf h GLU 146 Ca 0.16 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.67 1itf h GLU 146 Cb 0.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1itf h GLU 146 CO 0.01 0.48 -0.89 0.82 -1.16 0.00 0.00 179.01 178.27 1itf h ILE 147 N 0.00 1.59 -0.13 3.13 1.08 0.47 -0.33 117.51 123.32 1itf h ILE 147 Ca -0.00 -2.90 -0.23 0.00 -0.39 0.00 0.00 64.86 61.34 1itf h ILE 147 Cb 0.89 2.59 0.01 0.00 -3.07 0.00 0.00 36.82 37.24 1itf h ILE 147 CO 0.06 0.83 -0.82 -0.03 -0.69 0.00 0.00 178.15 177.51 1itf h MET 148 N 0.03 0.76 -0.19 2.37 1.85 -0.96 -0.25 114.93 118.54 1itf h MET 148 Ca -0.02 -0.65 -0.20 0.00 -0.61 0.00 0.00 59.70 58.22 1itf h MET 148 Cb 1.55 0.14 0.01 0.00 0.43 0.00 0.00 31.60 33.73 1itf h MET 148 CO 0.12 1.25 -0.65 0.00 -0.40 0.00 0.00 176.91 177.23 1itf h ARG 149 N 0.50 0.78 -0.49 0.39 2.47 -1.21 0.23 114.38 117.04 1itf h ARG 149 Ca -0.06 -0.58 -0.10 0.00 -1.26 0.00 0.00 59.98 57.97 1itf h ARG 149 Cb 1.45 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.85 1itf h ARG 149 CO 0.17 1.20 -0.10 0.66 0.56 0.00 0.00 179.97 182.45 1itf h SER 150 N 0.51 0.90 -0.22 7.04 4.64 -1.08 0.74 113.55 126.08 1itf h SER 150 Ca -0.03 -0.28 -0.20 0.00 -0.47 0.00 0.00 61.79 60.81 1itf h SER 150 Cb 1.28 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1itf h SER 150 CO 0.14 1.02 -0.63 0.15 -0.87 0.00 0.00 176.83 176.63 1itf h PHE 151 N 0.81 1.06 -0.29 4.77 3.57 -1.00 -0.91 116.94 124.96 1itf h PHE 151 Ca 0.13 -0.42 -0.08 0.00 3.53 0.00 0.00 57.97 61.14 1itf h PHE 151 Cb 0.62 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1itf h PHE 151 CO 0.04 1.25 -0.14 0.66 -2.23 0.00 0.00 178.31 177.88 1itf h SER 152 N 0.57 0.49 -0.21 0.41 4.64 -0.81 -1.09 113.55 117.56 1itf h SER 152 Ca -0.02 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 1itf h SER 152 Cb 1.25 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1itf h SER 152 CO 0.14 0.66 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.38 1itf h LEU 153 N 0.46 0.74 -0.86 5.97 3.38 -0.68 0.60 115.31 124.92 1itf h LEU 153 Ca 0.08 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1itf h LEU 153 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1itf h LEU 153 CO 0.03 0.99 -0.13 0.77 0.09 0.00 0.00 178.44 180.20 1itf h SER 154 N 0.61 0.70 -0.11 -0.43 4.64 -0.59 -2.83 113.55 115.54 1itf h SER 154 Ca 0.07 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1itf h SER 154 Cb 0.82 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1itf h SER 154 CO 0.07 0.85 0.00 0.35 -0.87 0.00 0.00 176.83 177.23 1itf n THR 155 N -4.16 0.11 1.25 2.95 -2.24 -0.46 -4.12 114.28 107.60 1itf n THR 155 Ca 0.01 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1itf n THR 155 Cb 0.36 1.11 0.65 0.00 -2.10 0.00 0.00 70.33 70.35 1itf n THR 155 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1itf n ASN 156 N 1.06 0.00 -0.07 3.42 3.02 0.21 -3.18 115.26 119.71 1itf n ASN 156 Ca 0.16 -0.20 -0.02 0.00 -0.03 0.00 0.00 54.58 54.49 1itf n ASN 156 Cb 0.53 -0.23 0.22 0.00 -0.61 0.00 0.00 39.78 39.69 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1itf h LEU 157 N 0.00 0.65 0.20 3.41 -0.00 -1.73 0.46 115.31 118.30 1itf h LEU 157 Ca 0.00 -0.14 -0.28 0.00 -0.00 0.00 0.00 57.88 57.46 1itf h LEU 157 Cb 0.19 -0.17 0.03 0.00 -0.00 0.00 0.00 40.66 40.70 1itf h LEU 157 CO 0.00 0.71 -1.27 1.56 -0.00 0.00 0.00 178.44 179.44 1itf h GLN 158 N 0.66 0.43 0.00 1.13 1.08 -1.88 -2.34 115.11 114.19 1itf h GLN 158 Ca 0.14 -0.73 -0.03 0.00 -1.45 0.00 0.00 58.65 56.57 1itf h GLN 158 Cb 0.38 0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1itf h GLN 158 CO 0.01 1.35 -0.14 1.49 -0.95 0.00 0.00 178.83 180.59 1itf h GLU 159 N -0.07 0.00 -0.76 1.46 4.81 -1.60 -2.81 114.58 115.60 1itf h GLU 159 Ca -0.23 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.45 1itf h GLU 159 Cb 1.95 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.91 1itf h GLU 159 CO 0.21 0.14 -0.74 0.43 -0.73 0.00 0.00 179.01 178.32 1itf n SER 160 N -3.45 5.07 0.01 1.04 7.64 0.16 -4.68 113.62 119.40 1itf n SER 160 Ca -0.01 -3.75 -0.07 0.00 1.01 0.00 0.00 58.87 56.05 1itf n SER 160 Cb 0.31 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1itf n SER 160 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1itf h LEU 161 N 2.17 -0.11 -5.22 -3.43 5.85 -1.14 -3.41 115.31 110.02 1itf h LEU 161 Ca 0.38 -0.29 -0.42 0.00 0.84 0.00 0.00 57.88 58.39 1itf h LEU 161 Cb 1.50 0.03 -0.40 0.00 0.37 0.00 0.00 40.66 42.16 1itf h LEU 161 CO 0.80 0.49 -1.13 0.54 -0.34 0.00 0.00 178.44 178.80 1itf n ARG 162 N -4.83 1.41 -2.58 1.25 5.12 -1.26 -4.90 116.66 110.87 1itf n ARG 162 Ca -0.05 -3.48 -0.16 0.00 -1.93 0.00 0.00 57.85 52.24 1itf n ARG 162 Cb 0.20 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.02 1itf n ARG 162 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1itf n SER 163 N -0.02 2.78 -3.27 0.55 3.41 -1.26 -4.96 113.62 110.84 1itf n SER 163 Ca 0.17 -3.08 -0.18 0.00 -0.26 0.00 0.00 58.87 55.52 1itf n SER 163 Cb 0.75 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1itf n SER 163 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1itf s LYS 164 N -3.33 0.78 0.00 4.33 2.47 -1.26 -5.00 119.74 117.73 1itf s LYS 164 Ca 0.36 -1.24 0.00 0.00 -1.56 0.00 0.00 55.97 53.52 1itf s LYS 164 Cb 0.43 -0.81 0.00 0.00 -1.46 0.00 0.00 37.83 35.99 1itf s LYS 164 CO -0.05 -1.27 0.43 -1.91 0.16 0.00 0.00 175.35 172.71