#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 0.42 0.19 0.00 5.68 -1.26 -4.85 116.55 116.73 1itf n ASP 2 Ca 0.00 -2.88 -0.12 0.00 -0.50 0.00 0.00 54.79 51.29 1itf n ASP 2 Cb 0.00 -0.54 -0.07 0.00 -1.14 0.00 0.00 41.12 39.37 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1itf h LEU 3 N 3.46 -0.45-10.61 -2.12 -0.00 -2.03 -3.45 115.31 100.12 1itf h LEU 3 Ca 0.08 -0.12 -0.46 0.00 -0.00 0.00 0.00 57.88 57.37 1itf h LEU 3 Cb 0.93 0.12 0.11 0.00 -0.00 0.00 0.00 40.66 41.82 1itf h LEU 3 CO 0.47 -0.03 0.38 -2.16 -0.00 0.00 0.00 178.44 177.11 1itf s PRO 4 N -4.14 1.61 -1.46 1.13 0.04 -1.26 -4.92 135.00 126.00 1itf s PRO 4 Ca -0.12 0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.88 1itf s PRO 4 Cb 0.01 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1itf s PRO 4 CO 0.44 -1.84 2.35 0.00 0.04 0.00 0.00 177.00 177.99 1itf n GLN 5 N -3.48 2.95 0.00 4.56 10.64 -1.26 -4.21 117.38 126.58 1itf n GLN 5 Ca 0.08 -2.49 0.00 0.00 -1.83 0.00 0.00 57.00 52.76 1itf n GLN 5 Cb 0.60 -3.18 0.00 0.00 -0.86 0.00 0.00 30.24 26.80 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1itf n THR 6 N 4.85 0.32 -0.16 -0.39 -2.24 -1.26 -5.08 114.28 110.32 1itf n THR 6 Ca 0.57 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.66 1itf n THR 6 Cb 0.36 1.02 0.19 0.00 -2.10 0.00 0.00 70.33 69.80 1itf n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1itf n HIS 7 N -0.16 -3.20 -2.40 4.78 1.44 -1.26 -5.08 115.22 109.34 1itf n HIS 7 Ca 0.00 -0.54 0.00 0.00 -2.01 0.00 0.00 57.72 55.17 1itf n HIS 7 Cb 0.21 -0.82 0.00 0.00 0.12 0.00 0.00 29.99 29.50 1itf n HIS 7 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1itf n SER 8 N -4.86 0.03 -3.67 4.39 7.64 -1.26 -5.12 113.62 110.77 1itf n SER 8 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.68 1itf n SER 8 Cb 0.39 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 1itf n SER 8 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1itf s LEU 9 N 0.00 2.66 -0.11 -3.43 2.34 -1.26 -4.94 118.68 113.94 1itf s LEU 9 Ca 0.00 -2.84 -0.07 0.00 0.06 0.00 0.00 54.13 51.28 1itf s LEU 9 Cb 0.00 -0.98 -0.27 0.00 -0.56 0.00 0.00 46.19 44.39 1itf s LEU 9 CO 0.00 -0.23 0.39 1.23 -1.06 0.00 0.00 176.35 176.68 1itf h GLY 10 N 6.39 0.32 2.00 -3.48 0.00 -2.00 -3.34 103.07 102.95 1itf h GLY 10 Ca 0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1itf h GLY 10 CO 0.48 0.71 -0.34 1.48 0.00 0.00 0.00 176.54 178.87 1itf h SER 11 N 0.07 0.00 -0.52 0.19 4.64 -1.95 -2.10 113.55 113.87 1itf h SER 11 Ca -0.42 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.84 1itf h SER 11 Cb 2.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.10 1itf h SER 11 CO 0.09 0.34 0.11 -0.09 -0.87 0.00 0.00 176.83 176.41 1itf h ARG 12 N 0.00 0.90 0.01 4.77 2.43 -1.97 -0.57 114.38 119.94 1itf h ARG 12 Ca -0.00 -0.21 -0.27 0.00 -0.81 0.00 0.00 59.98 58.69 1itf h ARG 12 Cb 0.61 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1itf h ARG 12 CO 0.04 0.83 -1.05 0.00 -1.51 0.00 0.00 179.97 178.29 1itf h ARG 13 N 0.86 0.70 -0.65 0.20 2.47 -1.59 -1.35 114.38 115.02 1itf h ARG 13 Ca 0.18 -0.76 -0.03 0.00 -1.26 0.00 0.00 59.98 58.11 1itf h ARG 13 Cb 0.36 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 1itf h ARG 13 CO 0.01 1.33 0.29 1.15 0.56 0.00 0.00 179.97 183.31 1itf h THR 14 N 0.38 1.23 -0.11 2.04 2.02 -1.22 0.10 112.91 117.35 1itf h THR 14 Ca -0.13 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 1itf h THR 14 Cb 1.70 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1itf h THR 14 CO 0.21 0.27 -0.45 -0.07 0.37 0.00 0.00 175.52 175.85 1itf h LEU 15 N 0.90 0.29 -0.98 2.58 3.38 -1.14 -2.16 115.31 118.17 1itf h LEU 15 Ca 0.22 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1itf h LEU 15 Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1itf h LEU 15 CO -0.02 0.70 0.08 -0.03 0.09 0.00 0.00 178.44 179.26 1itf h MET 16 N 0.22 0.82 -0.70 1.13 4.05 -0.50 -1.72 114.93 118.22 1itf h MET 16 Ca 0.01 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.18 1itf h MET 16 Cb 0.89 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 1itf h MET 16 CO 0.07 0.77 0.18 -0.07 0.23 0.00 0.00 176.91 178.10 1itf h LEU 17 N 0.78 1.04 -1.34 3.39 3.38 -0.52 -1.29 115.31 120.74 1itf h LEU 17 Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 17 Cb 0.36 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1itf h LEU 17 CO 0.01 0.99 0.46 -0.07 0.09 0.00 0.00 178.44 179.92 1itf h LEU 18 N 1.05 0.75 -0.46 1.67 3.38 -0.72 -0.49 115.31 120.49 1itf h LEU 18 Ca 0.22 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1itf h LEU 18 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1itf h LEU 18 CO -0.00 0.53 -0.50 0.00 0.09 0.00 0.00 178.44 178.56 1itf h ALA 19 N 1.59 0.64 -0.41 1.53 0.00 -0.63 -2.63 119.26 119.34 1itf h ALA 19 Ca 0.27 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1itf h ALA 19 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1itf h ALA 19 CO -0.07 0.68 0.01 1.96 0.00 0.00 0.00 179.25 181.83 1itf h GLN 20 N 0.56 0.72 0.00 0.00 4.20 -0.25 -2.61 115.11 117.72 1itf h GLN 20 Ca 0.02 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1itf h GLN 20 Cb 1.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1itf h GLN 20 CO 0.10 0.79 -0.17 0.52 -0.67 0.00 0.00 178.83 179.41 1itf h MET 21 N 0.56 0.00 -5.41 1.46 2.86 -1.11 -3.41 114.93 109.88 1itf h MET 21 Ca 0.12 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.33 1itf h MET 21 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1itf h MET 21 CO 0.02 0.17 1.55 -2.13 1.06 0.00 0.00 176.91 177.57 1itf n ARG 22 N -3.96 0.69 0.03 1.72 0.63 -0.99 -4.74 116.66 110.04 1itf n ARG 22 Ca -0.02 -0.08 -0.21 0.00 -0.92 0.00 0.00 57.85 56.62 1itf n ARG 22 Cb 0.25 -2.88 -0.14 0.00 0.45 0.00 0.00 32.46 30.14 1itf n ARG 22 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1itf h LYS 23 N 16.79 0.28 -6.11 -0.14 6.56 -1.87 -3.47 116.57 128.60 1itf h LYS 23 Ca -0.16 -0.47 -0.51 0.00 -1.06 0.00 0.00 60.65 58.44 1itf h LYS 23 Cb 1.25 0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 33.04 1itf h LYS 23 CO 1.22 1.23 -0.44 0.96 -2.06 0.00 0.00 179.45 180.36 1itf s ILE 24 N -2.48 2.80 0.20 1.86 -4.36 -1.26 -5.13 121.20 112.83 1itf s ILE 24 Ca -0.18 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1itf s ILE 24 Cb 0.04 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 1itf s ILE 24 CO 0.79 -0.06 0.31 -0.44 0.24 0.00 0.00 174.94 175.78 1itf s SER 25 N -4.02 6.25 0.42 4.36 0.01 -1.26 -4.99 113.70 114.47 1itf s SER 25 Ca 0.44 0.09 0.15 0.00 1.31 0.00 0.00 55.95 57.93 1itf s SER 25 Cb -0.02 -1.84 0.92 0.00 0.21 0.00 0.00 66.02 65.29 1itf s SER 25 CO 0.26 -0.01 1.94 0.25 0.41 0.00 0.00 173.24 176.09 1itf h LEU 26 N 1.69 0.00 -0.72 2.44 5.85 -1.91 -1.28 115.31 121.38 1itf h LEU 26 Ca -0.50 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 1itf h LEU 26 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1itf h LEU 26 CO 0.65 0.25 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.55 1itf h PHE 27 N 0.00 0.88 -0.00 1.25 0.04 -2.00 -1.74 116.94 115.37 1itf h PHE 27 Ca -0.00 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 1itf h PHE 27 Cb 0.45 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1itf h PHE 27 CO 0.00 0.91 -0.38 1.03 -0.60 0.00 0.00 178.31 179.27 1itf h SER 28 N 0.69 0.01 -1.95 2.17 0.87 -1.67 -3.15 113.55 110.53 1itf h SER 28 Ca 0.10 -0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.00 1itf h SER 28 Cb 0.69 -0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.29 1itf h SER 28 CO 0.05 0.39 -0.02 0.00 -0.53 0.00 0.00 176.83 176.72 1itf n LEU 30 N -0.36 1.06 0.03 0.00 4.77 -0.81 -3.64 117.00 118.04 1itf n LEU 30 Ca 0.41 -0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 1itf n LEU 30 Cb 0.43 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1itf n LEU 30 CO 0.40 0.19 -0.12 0.50 -1.33 0.00 0.00 177.39 177.03 1itf h LYS 31 N 1.58 0.00 -0.40 3.23 1.63 -1.87 -3.32 116.57 117.42 1itf h LYS 31 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1itf h LYS 31 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1itf h LYS 31 CO 0.00 0.77 0.00 -0.40 -3.45 0.00 0.00 179.45 176.37 1itf n ASP 32 N -3.22 4.01 -4.65 4.20 5.75 -1.24 -4.97 116.55 116.43 1itf n ASP 32 Ca -0.07 -2.62 -0.43 0.00 -0.01 0.00 0.00 54.79 51.67 1itf n ASP 32 Cb 0.98 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1itf s ARG 33 N -2.13 4.14 -0.03 0.11 3.52 -1.24 -4.91 118.95 118.42 1itf s ARG 33 Ca 0.40 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 1itf s ARG 33 Cb 0.29 -3.88 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1itf s ARG 33 CO 0.15 -0.85 0.00 -1.01 -0.81 0.00 0.00 175.30 172.78 1itf s HIS 34 N 3.93 0.31 -0.25 5.12 3.76 -1.26 -5.09 115.29 121.81 1itf s HIS 34 Ca 0.63 0.00 -0.29 0.00 -0.15 0.00 0.00 55.06 55.25 1itf s HIS 34 Cb -0.25 -0.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1itf s HIS 34 CO 0.22 -0.13 1.66 0.34 -0.85 0.00 0.00 174.74 175.97 1itf s ASP 35 N 1.07 6.27 0.08 1.40 2.15 -1.26 -4.87 116.67 121.51 1itf s ASP 35 Ca -0.09 1.54 -0.15 0.00 0.43 0.00 0.00 52.55 54.28 1itf s ASP 35 Cb -0.13 -2.53 -0.13 0.00 -0.30 0.00 0.00 42.92 39.82 1itf s ASP 35 CO -0.02 -1.36 1.33 -0.26 -0.17 0.00 0.00 175.17 174.69 1itf h PHE 36 N 11.21 0.87 0.00 -5.34 -1.00 -1.99 -3.48 116.94 117.22 1itf h PHE 36 Ca -0.34 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.11 1itf h PHE 36 Cb 1.16 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1itf h PHE 36 CO 0.92 1.11 0.00 0.41 -1.61 0.00 0.00 178.31 179.14 1itf n GLY 37 N 0.46 0.69 3.71 -1.45 0.00 -1.26 -4.98 105.19 102.36 1itf n GLY 37 Ca -0.06 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.15 3.13 -1.38 1.61 5.36 -1.26 -4.75 117.98 119.53 1itf s PHE 38 Ca 0.00 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 56.79 1itf s PHE 38 Cb 0.00 -3.65 -0.05 0.00 -0.34 0.00 0.00 43.02 38.98 1itf s PHE 38 CO 0.00 -2.30 2.48 -0.35 -1.46 0.00 0.00 175.22 173.59 1itf n PRO 39 N 4.40 2.95 0.25 10.12 -0.04 -1.26 -4.57 135.00 146.85 1itf n PRO 39 Ca 0.12 -2.21 0.14 0.00 -0.04 0.00 0.00 63.50 61.52 1itf n PRO 39 Cb 0.43 -2.94 0.54 0.00 -0.04 0.00 0.00 33.50 31.49 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 5.84 0.00 -0.58 0.54 -0.00 -1.94 -2.74 115.11 116.22 1itf h GLN 40 Ca 0.67 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 59.42 1itf h GLN 40 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.88 1itf h GLN 40 CO 1.80 0.06 0.39 1.49 0.00 0.00 0.00 178.83 182.57 1itf h GLU 41 N 0.00 0.38 -1.00 1.69 4.57 -2.01 0.43 114.58 118.65 1itf h GLU 41 Ca -0.00 -0.02 -0.45 0.00 -1.18 0.00 0.00 59.36 57.70 1itf h GLU 41 Cb 0.67 -0.09 -0.27 0.00 -0.16 0.00 0.00 28.75 28.90 1itf h GLU 41 CO 0.01 0.25 0.58 -1.91 -1.18 0.00 0.00 179.01 176.76 1itf n GLU 42 N -4.47 2.13 -2.63 1.92 2.13 -1.03 -4.24 120.64 114.46 1itf n GLU 42 Ca 0.09 -2.66 -0.10 0.00 0.66 0.00 0.00 57.16 55.15 1itf n GLU 42 Cb 0.37 -2.04 0.03 0.00 0.27 0.00 0.00 31.44 30.06 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1itf n PHE 43 N -0.94 1.67 0.00 4.31 3.72 0.15 -4.94 117.46 121.43 1itf n PHE 43 Ca 0.53 -2.58 0.00 0.00 -0.05 0.00 0.00 57.45 55.35 1itf n PHE 43 Cb 1.54 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.79 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 -0.36 -1.30 3.71 1.37 0.00 -1.25 -4.67 105.19 102.70 1itf n GLY 44 Ca 0.16 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 1.34 7.12 -0.78 1.61 2.47 -1.26 -2.74 114.94 122.70 1itf s ASN 45 Ca 0.00 1.99 0.00 0.00 0.42 0.00 0.00 52.86 55.27 1itf s ASN 45 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1itf s ASN 45 CO 0.00 -0.43 0.00 1.67 -3.72 0.00 0.00 177.10 174.62 1itf n GLN 46 N 3.78 -0.58 -1.80 0.43 7.27 -1.26 -4.89 117.38 120.34 1itf n GLN 46 Ca 0.08 0.64 0.01 0.00 0.07 0.00 0.00 57.00 57.80 1itf n GLN 46 Cb 0.47 -4.51 0.02 0.00 2.41 0.00 0.00 30.24 28.62 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1itf n PHE 47 N -3.20 0.13 -2.50 3.69 3.72 -1.11 -4.68 117.46 113.51 1itf n PHE 47 Ca -0.08 -0.96 -0.09 0.00 -0.05 0.00 0.00 57.45 56.26 1itf n PHE 47 Cb 0.37 0.08 0.04 0.00 -0.94 0.00 0.00 39.48 39.02 1itf n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1itf n GLN 48 N 0.01 2.43 -2.73 -1.08 10.64 -1.26 -4.26 117.38 121.13 1itf n GLN 48 Ca -0.02 -3.74 -0.08 0.00 -1.83 0.00 0.00 57.00 51.34 1itf n GLN 48 Cb 0.97 -1.84 0.08 0.00 -0.86 0.00 0.00 30.24 28.59 1itf n GLN 48 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1itf n LYS 49 N -0.63 0.86 -2.89 2.61 4.81 -1.26 -4.93 118.16 116.74 1itf n LYS 49 Ca 0.22 -1.76 -0.22 0.00 -0.87 0.00 0.00 58.31 55.68 1itf n LYS 49 Cb 0.87 -1.09 0.02 0.00 0.02 0.00 0.00 35.03 34.85 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 0.80 -0.90 -0.08 3.14 0.00 -1.26 -4.86 120.51 117.36 1itf n ALA 50 Ca 0.06 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1itf n ALA 50 Cb 0.68 -3.27 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 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 -3.71 0.38 -0.11 0.00 1.02 -1.26 -4.18 120.64 112.78 1itf n GLU 51 Ca -0.14 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.21 1itf n GLU 51 Cb 0.63 -1.30 0.29 0.00 -0.02 0.00 0.00 31.44 31.04 1itf n GLU 51 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1itf n THR 52 N -3.00 0.29 -0.30 2.62 5.66 -1.26 -4.27 114.28 114.02 1itf n THR 52 Ca -0.28 -0.52 -0.01 0.00 -3.05 0.00 0.00 64.05 60.19 1itf n THR 52 Cb 0.79 0.75 0.11 0.00 -1.55 0.00 0.00 70.33 70.43 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 3.41 1.11 0.00 1.09 2.04 -1.91 0.52 117.51 123.76 1itf h ILE 53 Ca 0.00 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1itf h ILE 53 Cb 0.74 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1itf h ILE 53 CO 0.00 0.18 -0.28 1.55 0.00 0.00 0.00 178.15 179.60 1itf h PRO 54 N 1.00 0.00 -0.08 2.37 0.13 -1.90 0.10 132.00 133.64 1itf h PRO 54 Ca 0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.26 1itf h PRO 54 Cb 0.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.19 1itf h PRO 54 CO -0.13 0.28 -0.75 0.28 -0.23 0.00 0.00 178.00 177.46 1itf h VAL 55 N 0.00 1.32 -0.48 1.56 2.07 -1.19 -2.48 116.25 117.06 1itf h VAL 55 Ca -0.00 -2.02 -0.08 0.00 0.82 0.00 0.00 66.70 65.42 1itf h VAL 55 Cb 0.52 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1itf h VAL 55 CO 0.04 0.62 -0.01 -0.07 0.02 0.00 0.00 177.57 178.16 1itf h LEU 56 N 0.29 0.78 -0.18 2.57 3.38 0.36 0.83 115.31 123.33 1itf h LEU 56 Ca -0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1itf h LEU 56 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1itf h LEU 56 CO 0.15 0.85 0.10 -0.74 0.09 0.00 0.00 178.44 178.89 1itf h HIS 57 N 0.75 0.25 0.00 1.13 2.76 -0.76 0.10 115.15 119.38 1itf h HIS 57 Ca 0.14 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1itf h HIS 57 Cb 0.47 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1itf h HIS 57 CO 0.03 0.25 -0.41 0.93 -1.30 0.00 0.00 177.93 177.43 1itf h GLU 58 N 0.18 0.00 -0.33 5.26 4.39 -1.24 -2.16 114.58 120.68 1itf h GLU 58 Ca 0.06 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1itf h GLU 58 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1itf h GLU 58 CO -0.01 0.41 -0.28 1.98 -1.16 0.00 0.00 179.01 179.95 1itf h MET 59 N 0.00 0.69 -0.40 2.33 4.05 -0.17 0.44 114.93 121.87 1itf h MET 59 Ca -0.00 -0.29 -0.11 0.00 -0.28 0.00 0.00 59.70 59.01 1itf h MET 59 Cb 0.80 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1itf h MET 59 CO 0.05 0.89 -0.22 0.82 0.23 0.00 0.00 176.91 178.69 1itf h ILE 60 N 0.59 1.27 -0.13 1.77 1.08 -0.39 -0.47 117.51 121.23 1itf h ILE 60 Ca 0.07 -1.33 -0.15 0.00 -0.39 0.00 0.00 64.86 63.07 1itf h ILE 60 Cb 0.77 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1itf h ILE 60 CO 0.06 0.44 -0.56 -0.61 -0.69 0.00 0.00 178.15 176.80 1itf h GLN 61 N 0.68 0.41 -0.24 2.37 5.75 -1.06 0.22 115.11 123.24 1itf h GLN 61 Ca 0.10 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.24 1itf h GLN 61 Cb 0.73 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1itf h GLN 61 CO 0.06 0.86 -0.24 1.96 -2.65 0.00 0.00 178.83 178.82 1itf h GLN 62 N 0.31 0.58 0.00 1.69 4.20 -0.66 -2.04 115.11 119.19 1itf h GLN 62 Ca 0.00 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.31 1itf h GLN 62 Cb 1.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1itf h GLN 62 CO 0.10 0.90 -0.45 0.82 -0.67 0.00 0.00 178.83 179.52 1itf h ILE 63 N 0.28 1.31 -0.54 2.54 2.04 -1.04 -0.81 117.51 121.29 1itf h ILE 63 Ca 0.04 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1itf h ILE 63 Cb 0.79 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1itf h ILE 63 CO 0.06 0.44 0.28 0.15 0.00 0.00 0.00 178.15 179.08 1itf h PHE 64 N 0.00 0.75 0.14 1.37 3.57 -0.25 -0.42 116.94 122.10 1itf h PHE 64 Ca -0.00 -0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.17 1itf h PHE 64 Cb 0.81 -0.24 0.03 0.00 2.79 0.00 0.00 35.95 39.34 1itf h PHE 64 CO 0.00 0.57 -1.27 -0.97 -2.23 0.00 0.00 178.31 174.41 1itf h ASN 65 N 0.72 0.85 -0.04 0.41 -0.00 -1.17 0.13 115.58 116.48 1itf h ASN 65 Ca 0.19 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.69 1itf h ASN 65 Cb 0.08 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.13 1itf h ASN 65 CO -0.03 1.61 0.02 0.25 -0.00 0.00 0.00 177.43 179.28 1itf h LEU 66 N 0.25 0.04 0.00 0.34 5.85 -1.02 -0.19 115.31 120.58 1itf h LEU 66 Ca -0.19 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1itf h LEU 66 Cb 1.95 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1itf h LEU 66 CO 0.24 0.03 -1.43 0.49 -0.34 0.00 0.00 178.44 177.43 1itf n PHE 67 N -4.53 0.11 0.39 1.25 3.01 -0.18 -4.08 117.46 113.43 1itf n PHE 67 Ca -0.02 0.03 0.12 0.00 1.01 0.00 0.00 57.45 58.59 1itf n PHE 67 Cb 0.09 -0.36 0.18 0.00 -0.01 0.00 0.00 39.48 39.38 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 -3.48 4.37 0.87 0.23 -3.34 113.55 112.20 1itf h SER 68 Ca 0.00 -0.07 -0.57 0.00 -1.23 0.00 0.00 61.79 59.92 1itf h SER 68 Cb 0.79 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.90 1itf h SER 68 CO 0.00 0.03 0.17 0.35 -0.53 0.00 0.00 176.83 176.85 1itf n THR 69 N -2.51 3.33 0.28 2.23 -2.24 -0.18 -4.69 114.28 110.51 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 0.48 -1.19 0.82 0.00 -2.10 0.00 0.00 70.33 68.34 1itf n THR 69 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1itf h LYS 70 N 0.84 0.00 0.04 -0.78 1.57 -1.91 0.15 116.57 116.48 1itf h LYS 70 Ca -0.48 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.04 1itf h LYS 70 Cb 1.35 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.68 1itf h LYS 70 CO 0.53 0.07 -1.07 -0.44 -0.57 0.00 0.00 179.45 177.96 1itf h ASP 71 N 0.00 0.75 0.73 0.86 5.19 -1.95 -2.53 116.42 119.48 1itf h ASP 71 Ca -0.00 -0.64 -0.22 0.00 -0.62 0.00 0.00 57.03 55.56 1itf h ASP 71 Cb 0.20 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1itf h ASP 71 CO 0.01 1.44 -0.99 0.77 -3.12 0.00 0.00 179.24 177.36 1itf h SER 72 N 0.29 0.20 -0.17 6.45 4.64 -1.62 -1.48 113.55 121.86 1itf h SER 72 Ca -0.13 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1itf h SER 72 Cb 1.73 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 1itf h SER 72 CO 0.20 1.07 -0.18 0.28 -0.87 0.00 0.00 176.83 177.32 1itf h SER 73 N 0.06 0.59 1.56 4.97 0.02 -0.76 -1.09 113.55 118.89 1itf h SER 73 Ca -0.05 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1itf h SER 73 Cb 1.68 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1itf h SER 73 CO 0.15 0.78 -0.45 0.00 -1.14 0.00 0.00 176.83 176.16 1itf h ALA 74 N 1.27 0.77 -0.18 3.77 0.00 -1.45 -3.29 119.26 120.15 1itf h ALA 74 Ca 0.09 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1itf h ALA 74 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1itf h ALA 74 CO 0.04 0.37 -0.68 0.00 0.00 0.00 0.00 179.25 178.99 1itf h ALA 75 N 1.71 0.45 -1.07 0.00 0.00 -0.59 -3.46 119.26 116.29 1itf h ALA 75 Ca -0.02 -0.57 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 1itf h ALA 75 Cb 1.23 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1itf h ALA 75 CO 0.03 0.70 -0.39 -1.58 0.00 0.00 0.00 179.25 178.01 1itf s TRP 76 N -3.87 2.17 0.14 0.00 0.52 -0.48 -5.05 118.94 112.39 1itf s TRP 76 Ca -0.09 -0.70 -0.31 0.00 0.02 0.00 0.00 56.10 55.02 1itf s TRP 76 Cb 0.10 -1.97 -0.08 0.00 -1.15 0.00 0.00 33.47 30.36 1itf s TRP 76 CO 0.88 -0.15 1.40 -0.51 0.02 0.00 0.00 176.95 178.59 1itf s ASP 77 N -4.11 6.79 0.47 2.95 1.11 -1.26 -4.81 116.67 117.81 1itf s ASP 77 Ca 0.38 2.40 0.19 0.00 0.18 0.00 0.00 52.55 55.69 1itf s ASP 77 Cb -0.00 -2.59 1.16 0.00 1.07 0.00 0.00 42.92 42.55 1itf s ASP 77 CO 0.22 -0.66 2.02 1.05 1.18 0.00 0.00 175.17 178.98 1itf h GLU 78 N 6.45 0.00 0.02 8.23 4.11 -1.96 0.29 114.58 131.72 1itf h GLU 78 Ca -0.43 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.87 1itf h GLU 78 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1itf h GLU 78 CO 0.85 0.16 -0.52 1.15 0.07 0.00 0.00 179.01 180.72 1itf h THR 79 N 0.00 1.49 -0.68 -1.06 2.02 -1.96 0.20 112.91 112.91 1itf h THR 79 Ca -0.00 -2.13 -0.04 0.00 0.77 0.00 0.00 66.41 65.01 1itf h THR 79 Cb 0.32 2.77 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1itf h THR 79 CO 0.02 0.60 0.25 -0.07 0.37 0.00 0.00 175.52 176.70 1itf h LEU 80 N -0.28 0.94 -0.86 2.58 3.38 -1.87 -1.15 115.31 118.05 1itf h LEU 80 Ca -0.07 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1itf h LEU 80 Cb 1.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1itf h LEU 80 CO 0.10 0.86 -0.44 -0.07 0.09 0.00 0.00 178.44 178.98 1itf h LEU 81 N 1.00 0.30 -0.20 1.67 3.38 -0.44 -1.69 115.31 119.34 1itf h LEU 81 Ca 0.23 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1itf h LEU 81 Cb 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1itf h LEU 81 CO -0.02 0.71 -0.00 -0.78 0.09 0.00 0.00 178.44 178.44 1itf h ASP 82 N 0.23 -0.08 0.27 -0.43 1.82 0.60 0.14 116.42 118.96 1itf h ASP 82 Ca 0.02 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 1itf h ASP 82 Cb 0.87 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1itf h ASP 82 CO 0.07 -0.01 -0.27 0.11 -1.61 0.00 0.00 179.24 177.52 1itf h LYS 83 N 0.06 0.01 -0.58 0.28 6.56 -1.16 -2.08 116.57 119.65 1itf h LYS 83 Ca 0.09 -0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.62 1itf h LYS 83 Cb 0.12 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1itf h LYS 83 CO -0.16 0.28 0.12 0.35 -2.06 0.00 0.00 179.45 177.98 1itf h PHE 84 N 0.01 0.99 -0.47 -1.35 3.04 -0.06 0.02 116.94 119.13 1itf h PHE 84 Ca -0.00 -0.13 -0.09 0.00 3.98 0.00 0.00 57.97 61.73 1itf h PHE 84 Cb 0.49 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1itf h PHE 84 CO 0.00 0.86 -0.08 1.88 -2.02 0.00 0.00 178.31 178.95 1itf h TYR 85 N 0.84 0.90 -0.41 0.41 0.05 -0.27 0.15 116.97 118.65 1itf h TYR 85 Ca 0.18 -0.16 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1itf h TYR 85 Cb 0.38 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1itf h TYR 85 CO 0.03 0.87 -0.26 1.15 -1.05 0.00 0.00 178.16 178.89 1itf h THR 86 N 0.75 1.27 0.00 -2.88 2.02 -1.01 -0.21 112.91 112.86 1itf h THR 86 Ca 0.13 -1.41 -0.11 0.00 0.77 0.00 0.00 66.41 65.79 1itf h THR 86 Cb 0.57 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1itf h THR 86 CO 0.03 0.48 -0.53 -0.33 0.37 0.00 0.00 175.52 175.54 1itf h GLU 87 N 0.74 0.00 -0.11 6.66 4.39 -0.76 -0.36 114.58 125.15 1itf h GLU 87 Ca 0.09 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.56 1itf h GLU 87 Cb 0.81 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1itf h GLU 87 CO 0.07 0.53 -0.83 -0.07 -1.16 0.00 0.00 179.01 177.55 1itf h LEU 88 N 0.00 0.92 -0.21 1.33 3.38 -0.67 -0.46 115.31 119.60 1itf h LEU 88 Ca -0.01 -0.66 -0.22 0.00 0.09 0.00 0.00 57.88 57.08 1itf h LEU 88 Cb 1.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1itf h LEU 88 CO 0.07 1.44 -0.89 0.22 0.09 0.00 0.00 178.44 179.37 1itf h TYR 89 N 0.47 0.69 -0.12 1.13 3.20 -0.97 -1.11 116.97 120.25 1itf h TYR 89 Ca -0.07 -0.35 -0.16 0.00 3.14 0.00 0.00 58.73 61.28 1itf h TYR 89 Cb 1.47 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.66 1itf h TYR 89 CO 0.09 1.16 -0.56 1.96 -1.64 0.00 0.00 178.16 179.17 1itf h GLN 90 N 0.29 0.60 0.00 1.82 1.08 -1.11 -2.06 115.11 115.73 1itf h GLN 90 Ca -0.07 -0.48 -0.05 0.00 -1.45 0.00 0.00 58.65 56.60 1itf h GLN 90 Cb 1.51 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 29.03 1itf h GLN 90 CO 0.16 1.10 -0.26 0.37 -0.95 0.00 0.00 178.83 179.25 1itf h GLN 91 N 0.23 0.00 -0.11 1.46 4.15 -1.13 -1.75 115.11 117.97 1itf h GLN 91 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1itf h GLN 91 Cb 1.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1itf h GLN 91 CO 0.12 0.26 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.20 1itf h LEU 92 N 0.00 0.20 -0.98 -2.39 3.38 -1.01 0.01 115.31 114.52 1itf h LEU 92 Ca -0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1itf h LEU 92 Cb 0.53 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1itf h LEU 92 CO 0.03 0.47 0.65 -1.13 0.09 0.00 0.00 178.44 178.55 1itf h ASN 93 N -0.08 1.11 -0.32 -0.43 -1.24 -0.93 0.22 115.58 113.91 1itf h ASN 93 Ca 0.03 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1itf h ASN 93 Cb 0.37 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1itf h ASN 93 CO 0.01 0.80 0.09 -0.78 -1.29 0.00 0.00 177.43 176.26 1itf h ASP 94 N 1.31 0.47 0.02 1.15 3.58 -1.17 -0.89 116.42 120.89 1itf h ASP 94 Ca 0.36 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1itf h ASP 94 Cb -0.13 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 1itf h ASP 94 CO -0.09 0.56 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.73 1itf h LEU 95 N 0.35 0.03 -0.61 2.28 3.38 -0.30 -0.93 115.31 119.51 1itf h LEU 95 Ca 0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1itf h LEU 95 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1itf h LEU 95 CO -0.00 0.08 -0.67 -0.33 0.09 0.00 0.00 178.44 177.60 1itf h GLU 96 N 0.04 0.12 -0.66 1.13 5.08 0.26 -3.28 114.58 117.26 1itf h GLU 96 Ca 0.01 -0.09 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1itf h GLU 96 Cb 0.09 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 1itf h GLU 96 CO 0.00 0.74 -0.27 0.00 -1.00 0.00 0.00 179.01 178.49 1itf h ALA 97 N 1.23 0.20 -0.39 3.43 0.00 0.19 1.06 119.26 124.99 1itf h ALA 97 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1itf h ALA 97 Cb 1.19 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1itf h ALA 97 CO 0.10 -0.56 0.25 0.00 0.00 0.00 0.00 179.25 179.04 1itf h VAL 99 N 0.53 1.08 0.47 0.00 2.07 -0.44 -2.75 116.25 117.20 1itf h VAL 99 Ca 0.14 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1itf h VAL 99 Cb -0.05 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1itf h VAL 99 CO -0.03 0.08 -0.23 0.40 0.02 0.00 0.00 177.57 177.82 1itf h ILE 100 N 0.39 0.53 -3.83 4.57 1.08 0.18 -3.44 117.51 116.99 1itf h ILE 100 Ca 0.11 -0.16 -0.43 0.00 -0.39 0.00 0.00 64.86 63.98 1itf h ILE 100 Cb -0.03 0.60 0.17 0.00 -3.07 0.00 0.00 36.82 34.50 1itf h ILE 100 CO -0.02 0.03 0.29 -1.10 -0.69 0.00 0.00 178.15 176.66 1itf s GLN 101 N -5.68 -0.09 0.40 2.37 -1.52 -1.04 -4.94 119.66 109.16 1itf s GLN 101 Ca -0.16 -0.21 0.13 0.00 -1.95 0.00 0.00 55.36 53.17 1itf s GLN 101 Cb 0.03 -1.74 0.82 0.00 -0.22 0.00 0.00 33.01 31.91 1itf s GLN 101 CO 0.60 -2.93 1.89 0.78 -0.25 0.00 0.00 175.29 175.38 1itf h GLY 102 N -2.02 0.00 -7.50 3.09 0.00 -1.85 -3.41 103.07 91.38 1itf h GLY 102 Ca -0.45 -0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.39 1itf h GLY 102 CO 0.38 0.00 1.61 -1.34 0.00 0.00 0.00 176.54 177.20 1itf s VAL 103 N -4.37 3.00 0.00 4.60 -7.23 -1.26 -4.64 120.40 110.50 1itf s VAL 103 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1itf s VAL 103 Cb 0.15 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1itf s VAL 103 CO 0.72 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 176.11 1itf n GLY 104 N 5.97 1.86 1.15 2.32 0.00 -1.26 -4.01 105.19 111.22 1itf n GLY 104 Ca 0.36 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.66 1itf n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1itf n VAL 105 N 0.00 0.65 -2.94 1.61 0.31 -1.26 -4.60 118.33 112.10 1itf n VAL 105 Ca 0.00 -1.58 -0.43 0.00 -0.01 0.00 0.00 64.34 62.32 1itf n VAL 105 Cb 0.00 0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 33.48 1itf n VAL 105 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1itf s THR 106 N -0.95 4.62 0.07 2.52 -4.23 -1.26 -4.58 115.64 111.82 1itf s THR 106 Ca 0.33 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1itf s THR 106 Cb 0.36 -4.34 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1itf s THR 106 CO -0.13 -0.74 0.00 -0.62 -0.54 0.00 0.00 174.62 172.59 1itf n GLU 107 N 6.80 0.00 -3.73 3.99 1.02 -1.26 -5.13 120.64 122.33 1itf n GLU 107 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 1itf n GLU 107 Cb 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.78 1itf n GLU 107 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1itf s THR 108 N -1.15 -0.03 -0.82 2.62 -4.23 -1.26 -5.10 115.64 105.68 1itf s THR 108 Ca 0.00 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 1itf s THR 108 Cb 0.00 -0.46 0.01 0.00 1.34 0.00 0.00 72.50 73.39 1itf s THR 108 CO 0.00 0.04 1.59 -2.16 -0.54 0.00 0.00 174.62 173.55 1itf s PRO 109 N 1.08 3.04 0.00 3.99 0.04 -1.26 -4.58 135.00 137.31 1itf s PRO 109 Ca -0.07 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1itf s PRO 109 Cb -0.08 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1itf s PRO 109 CO -0.08 -2.54 0.00 1.47 0.04 0.00 0.00 177.00 175.89 1itf n LEU 110 N 10.93 1.51 -0.24 -3.56 -0.00 -1.26 -4.79 117.00 119.59 1itf n LEU 110 Ca 0.22 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.32 1itf n LEU 110 Cb 0.50 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.07 1itf n LEU 110 CO 0.67 0.22 0.50 1.15 -0.00 0.00 0.00 177.39 179.94 1itf n MET 111 N -2.61 1.28 -0.33 1.47 0.00 -1.26 -4.58 117.12 111.09 1itf n MET 111 Ca 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 57.70 55.08 1itf n MET 111 Cb 0.44 -1.46 0.25 0.00 0.00 0.00 0.00 33.22 32.44 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 0.26 0.97 0.00 3.17 2.10 -1.87 -3.10 116.57 118.10 1itf h LYS 112 Ca -0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1itf h LYS 112 Cb 1.03 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1itf h LYS 112 CO 0.00 0.64 0.00 -1.91 -2.00 0.00 0.00 179.45 176.18 1itf n GLU 113 N -4.55 4.64 0.06 0.07 2.13 -1.26 -4.63 120.64 117.10 1itf n GLU 113 Ca 0.16 -0.14 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 1itf n GLU 113 Cb 0.29 -0.64 -0.08 0.00 0.27 0.00 0.00 31.44 31.28 1itf n GLU 113 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1itf h ASP 114 N 0.00 -0.08 -0.27 4.31 1.82 -1.79 1.26 116.42 121.68 1itf h ASP 114 Ca 0.00 -0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 1itf h ASP 114 Cb 0.00 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 1itf h ASP 114 CO 0.00 0.05 0.03 0.77 -1.61 0.00 0.00 179.24 178.48 1itf h SER 115 N -0.20 0.44 0.49 2.28 4.64 -1.85 -0.90 113.55 118.44 1itf h SER 115 Ca -0.01 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 1itf h SER 115 Cb 0.17 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1itf h SER 115 CO 0.02 0.61 -0.33 0.40 -0.87 0.00 0.00 176.83 176.66 1itf h ILE 116 N 0.26 1.04 -0.27 0.95 2.04 -1.80 -2.05 117.51 117.68 1itf h ILE 116 Ca 0.08 -1.20 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 1itf h ILE 116 Cb 0.36 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1itf h ILE 116 CO 0.01 0.32 -0.32 0.25 0.00 0.00 0.00 178.15 178.40 1itf h LEU 117 N 0.00 0.60 -0.21 1.44 6.46 0.20 0.37 115.31 124.18 1itf h LEU 117 Ca -0.00 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1itf h LEU 117 Cb 0.66 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1itf h LEU 117 CO 0.04 0.88 0.05 0.00 -0.62 0.00 0.00 178.44 178.80 1itf h ALA 118 N 1.15 0.27 0.00 1.25 0.00 -0.49 0.14 119.26 121.58 1itf h ALA 118 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1itf h ALA 118 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1itf h ALA 118 CO 0.07 -0.09 -0.18 0.28 0.00 0.00 0.00 179.25 179.32 1itf h VAL 119 N 0.15 0.58 -0.20 0.00 2.07 -1.20 -1.07 116.25 116.57 1itf h VAL 119 Ca 0.07 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 1itf h VAL 119 Cb 0.26 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1itf h VAL 119 CO -0.00 0.18 -0.31 -0.09 0.02 0.00 0.00 177.57 177.37 1itf h ARG 120 N 0.00 0.57 -0.01 1.57 2.43 0.67 -0.57 114.38 119.04 1itf h ARG 120 Ca -0.00 -0.34 -0.14 0.00 -0.81 0.00 0.00 59.98 58.69 1itf h ARG 120 Cb 0.55 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1itf h ARG 120 CO 0.02 0.94 -0.66 0.87 -1.51 0.00 0.00 179.97 179.63 1itf h LYS 121 N 0.24 0.05 -0.06 0.20 1.57 -0.77 0.22 116.57 118.02 1itf h LYS 121 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1itf h LYS 121 Cb 0.89 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1itf h LYS 121 CO 0.07 0.69 0.01 -0.92 -0.57 0.00 0.00 179.45 178.73 1itf h TYR 122 N 0.03 0.10 0.00 -1.35 3.20 -1.10 -1.69 116.97 116.17 1itf h TYR 122 Ca -0.01 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1itf h TYR 122 Cb 1.17 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1itf h TYR 122 CO 0.00 0.33 -0.49 0.74 -1.64 0.00 0.00 178.16 177.11 1itf h PHE 123 N -0.16 0.00 -0.66 -3.82 -1.00 -1.05 -2.18 116.94 108.07 1itf h PHE 123 Ca 0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1itf h PHE 123 Cb 0.28 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 1itf h PHE 123 CO 0.02 0.49 0.38 0.37 -1.61 0.00 0.00 178.31 177.95 1itf h GLN 124 N 0.00 0.90 -0.50 1.51 -0.00 -0.70 0.10 115.11 116.42 1itf h GLN 124 Ca -0.00 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.46 1itf h GLN 124 Cb 0.87 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 28.15 1itf h GLN 124 CO 0.06 0.66 -0.05 -0.09 0.00 0.00 0.00 178.83 179.41 1itf h ARG 125 N 0.90 0.88 -0.72 1.69 9.65 -1.01 -1.72 114.38 124.05 1itf h ARG 125 Ca 0.23 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1itf h ARG 125 Cb 0.00 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 1itf h ARG 125 CO -0.04 0.91 0.46 0.82 2.80 0.00 0.00 179.97 184.92 1itf h ILE 126 N 0.81 1.19 -0.34 1.20 2.04 -0.68 -0.58 117.51 121.14 1itf h ILE 126 Ca 0.14 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1itf h ILE 126 Cb 0.55 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1itf h ILE 126 CO 0.03 0.19 -0.27 0.74 0.00 0.00 0.00 178.15 178.84 1itf h THR 127 N 0.98 1.28 -0.19 -0.27 2.02 -0.37 -2.11 112.91 114.25 1itf h THR 127 Ca 0.26 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1itf h THR 127 Cb -0.09 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1itf h THR 127 CO -0.05 0.45 0.04 0.25 0.37 0.00 0.00 175.52 176.58 1itf h LEU 128 N 0.61 0.30 -1.36 2.58 5.85 -0.38 -0.45 115.31 122.45 1itf h LEU 128 Ca 0.08 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1itf h LEU 128 Cb 0.77 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1itf h LEU 128 CO 0.06 0.47 0.44 0.22 -0.34 0.00 0.00 178.44 179.29 1itf h TYR 129 N 0.12 0.81 -0.45 1.25 3.20 -1.06 0.39 116.97 121.23 1itf h TYR 129 Ca 0.06 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1itf h TYR 129 Cb 0.29 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1itf h TYR 129 CO 0.01 0.50 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.88 1itf h LEU 130 N 0.86 0.86 -0.82 2.82 3.38 -1.02 -1.23 115.31 120.16 1itf h LEU 130 Ca 0.25 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1itf h LEU 130 Cb -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1itf h LEU 130 CO -0.06 1.01 0.00 0.11 0.09 0.00 0.00 178.44 179.59 1itf h LYS 131 N 0.69 0.00 0.01 1.13 1.57 -0.06 0.55 116.57 120.46 1itf h LYS 131 Ca 0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1itf h LYS 131 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1itf h LYS 131 CO 0.04 0.00 -0.22 1.49 -0.57 0.00 0.00 179.45 180.19 1itf h GLU 132 N 0.00 0.13 -0.06 3.15 4.57 0.26 -3.14 114.58 119.50 1itf h GLU 132 Ca 0.00 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1itf h GLU 132 Cb 0.68 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1itf h GLU 132 CO 0.00 0.93 0.00 1.63 -1.18 0.00 0.00 179.01 180.39 1itf n LYS 133 N -4.53 1.32 -3.54 1.92 4.01 -0.51 -4.90 118.16 111.94 1itf n LYS 133 Ca -0.10 -0.48 -0.24 0.00 -0.51 0.00 0.00 58.31 56.98 1itf n LYS 133 Cb 0.50 -1.38 0.08 0.00 -0.51 0.00 0.00 35.03 33.72 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 -0.33 -7.65 -3.14 1.97 4.01 -0.18 -2.75 118.16 110.09 1itf n LYS 134 Ca 0.17 0.83 -0.14 0.00 -0.51 0.00 0.00 58.31 58.66 1itf n LYS 134 Cb 0.19 -5.85 0.07 0.00 -0.51 0.00 0.00 35.03 28.94 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1itf n TYR 135 N -4.95 -1.91 -1.72 2.13 4.01 0.18 -4.99 117.16 109.90 1itf n TYR 135 Ca -0.00 0.77 -0.30 0.00 -0.16 0.00 0.00 57.90 58.21 1itf n TYR 135 Cb 0.56 -4.40 0.06 0.00 -0.31 0.00 0.00 39.34 35.25 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 -3.92 5.17 0.10 7.72 0.01 -1.11 -4.89 113.70 116.77 1itf s SER 136 Ca 0.11 1.29 -0.16 0.00 1.31 0.00 0.00 55.95 58.50 1itf s SER 136 Cb -0.01 -2.10 -0.08 0.00 0.21 0.00 0.00 66.02 64.03 1itf s SER 136 CO 0.62 -1.54 1.44 1.55 0.41 0.00 0.00 173.24 175.73 1itf h PRO 137 N -0.79 0.64 -0.39 12.44 0.13 -1.94 -0.92 132.00 141.17 1itf h PRO 137 Ca -0.45 -0.30 -0.13 0.00 -0.87 0.00 0.00 66.00 64.24 1itf h PRO 137 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1itf h PRO 137 CO 0.61 0.89 -0.29 0.00 -0.23 0.00 0.00 178.00 178.98 1itf h ALA 139 N 0.96 1.31 -0.06 0.00 0.00 -1.88 -0.45 119.26 119.14 1itf h ALA 139 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1itf h ALA 139 Cb 0.84 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1itf h ALA 139 CO 0.07 0.63 -0.56 -1.49 0.00 0.00 0.00 179.25 177.90 1itf h TRP 140 N 1.32 0.21 -0.10 0.00 4.06 -0.86 -1.58 115.95 118.99 1itf h TRP 140 Ca 0.36 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 61.22 1itf h TRP 140 Cb -0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1itf h TRP 140 CO -0.00 0.69 0.00 1.49 -3.56 0.00 0.00 178.44 177.06 1itf h GLU 141 N 0.13 0.18 -0.86 0.49 4.22 -0.04 0.35 114.58 119.05 1itf h GLU 141 Ca -0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1itf h GLU 141 Cb 1.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1itf h GLU 141 CO 0.08 0.43 0.50 0.28 -2.18 0.00 0.00 179.01 178.12 1itf h VAL 142 N -0.09 1.24 -0.07 0.32 2.07 -1.08 -0.38 116.25 118.27 1itf h VAL 142 Ca 0.03 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1itf h VAL 142 Cb 0.35 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1itf h VAL 142 CO 0.01 0.26 -0.38 0.58 0.02 0.00 0.00 177.57 178.06 1itf h VAL 143 N 1.19 1.29 -0.15 2.57 2.07 -1.10 -0.18 116.25 121.94 1itf h VAL 143 Ca 0.31 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1itf h VAL 143 Cb -0.01 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1itf h VAL 143 CO -0.05 0.41 -0.04 -0.09 0.02 0.00 0.00 177.57 177.82 1itf h ARG 144 N 0.12 0.29 -0.08 1.57 2.43 0.88 0.23 114.38 119.82 1itf h ARG 144 Ca 0.01 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1itf h ARG 144 Cb 0.72 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1itf h ARG 144 CO 0.05 0.57 -0.21 0.00 -1.51 0.00 0.00 179.97 178.87 1itf h ALA 145 N 0.71 1.49 -0.03 2.80 0.00 -0.94 0.40 119.26 123.69 1itf h ALA 145 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1itf h ALA 145 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1itf h ALA 145 CO 0.01 0.37 -0.68 0.93 0.00 0.00 0.00 179.25 179.89 1itf h GLU 146 N 0.13 0.12 0.08 0.00 4.39 -0.65 -0.36 114.58 118.30 1itf h GLU 146 Ca 0.02 -0.10 -0.25 0.00 0.34 0.00 0.00 59.36 59.38 1itf h GLU 146 Cb 0.46 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1itf h GLU 146 CO 0.03 0.75 -1.13 0.82 -1.16 0.00 0.00 179.01 178.32 1itf h ILE 147 N 0.08 1.52 -0.12 3.13 1.08 0.25 -0.31 117.51 123.15 1itf h ILE 147 Ca -0.01 -2.98 -0.20 0.00 -0.39 0.00 0.00 64.86 61.28 1itf h ILE 147 Cb 1.20 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.76 1itf h ILE 147 CO 0.10 0.87 -0.73 -0.03 -0.69 0.00 0.00 178.15 177.66 1itf h MET 148 N 0.09 0.57 -0.03 2.37 1.85 -0.90 0.58 114.93 119.45 1itf h MET 148 Ca -0.10 -0.46 -0.03 0.00 -0.61 0.00 0.00 59.70 58.50 1itf h MET 148 Cb 1.84 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.96 1itf h MET 148 CO 0.18 1.08 -0.10 -0.09 -0.40 0.00 0.00 176.91 177.58 1itf h ARG 149 N 0.39 0.12 -0.64 0.39 2.43 -1.09 0.17 114.38 116.15 1itf h ARG 149 Ca -0.04 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1itf h ARG 149 Cb 1.33 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1itf h ARG 149 CO 0.14 0.71 0.19 0.66 -1.51 0.00 0.00 179.97 180.16 1itf h SER 150 N -0.44 0.92 -0.03 -3.80 4.64 -1.09 0.11 113.55 113.86 1itf h SER 150 Ca -0.00 -0.16 -0.18 0.00 -0.47 0.00 0.00 61.79 60.97 1itf h SER 150 Cb 0.72 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1itf h SER 150 CO 0.02 0.87 -0.63 0.15 -0.87 0.00 0.00 176.83 176.37 1itf h PHE 151 N 0.95 0.82 -0.24 4.77 3.57 -0.89 -1.32 116.94 124.61 1itf h PHE 151 Ca 0.21 -0.32 -0.13 0.00 3.53 0.00 0.00 57.97 61.26 1itf h PHE 151 Cb 0.29 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1itf h PHE 151 CO 0.02 1.09 -0.38 0.66 -2.23 0.00 0.00 178.31 177.47 1itf h SER 152 N 0.47 0.57 -0.65 0.41 4.64 -0.65 -0.45 113.55 117.90 1itf h SER 152 Ca -0.01 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1itf h SER 152 Cb 1.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 1itf h SER 152 CO 0.12 0.90 0.16 -0.07 -0.87 0.00 0.00 176.83 177.07 1itf h LEU 153 N 0.45 1.00 -0.75 5.97 3.38 -0.62 0.57 115.31 125.31 1itf h LEU 153 Ca 0.04 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1itf h LEU 153 Cb 0.87 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1itf h LEU 153 CO 0.07 0.96 -0.62 0.28 0.09 0.00 0.00 178.44 179.23 1itf h SER 154 N 1.01 0.01 -0.09 -0.43 0.02 -0.89 -3.03 113.55 110.15 1itf h SER 154 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1itf h SER 154 Cb 0.36 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1itf h SER 154 CO 0.00 0.63 0.00 0.35 -1.14 0.00 0.00 176.83 176.67 1itf n THR 155 N -3.80 0.08 1.65 -2.27 -2.24 -0.21 -4.10 114.28 103.39 1itf n THR 155 Ca -0.01 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1itf n THR 155 Cb 0.62 1.23 0.61 0.00 -2.10 0.00 0.00 70.33 70.69 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 1.16 0.89 -0.29 3.42 3.02 0.19 -4.11 115.26 119.54 1itf n ASN 156 Ca 0.16 -1.40 0.18 0.00 -0.03 0.00 0.00 54.58 53.48 1itf n ASN 156 Cb 0.55 -0.02 0.45 0.00 -0.61 0.00 0.00 39.78 40.15 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 1.31 0.53 -0.59 3.41 -0.00 -1.72 0.93 115.31 119.17 1itf h LEU 157 Ca 0.00 0.06 -0.15 0.00 -0.00 0.00 0.00 57.88 57.79 1itf h LEU 157 Cb 0.28 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1itf h LEU 157 CO 0.00 0.19 -0.70 0.06 -0.00 0.00 0.00 178.44 177.99 1itf h GLN 158 N 0.52 0.04 -0.04 1.13 3.07 -1.93 -3.14 115.11 114.76 1itf h GLN 158 Ca 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.22 1itf h GLN 158 Cb 1.13 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1itf h GLN 158 CO -0.25 0.72 0.00 0.39 0.09 0.00 0.00 178.83 179.79 1itf n GLU 159 N -3.72 2.27 -2.25 0.06 -0.58 0.61 -4.69 120.64 112.33 1itf n GLU 159 Ca -0.01 -1.84 -0.43 0.00 -0.42 0.00 0.00 57.16 54.46 1itf n GLU 159 Cb 0.69 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1itf n GLU 159 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1itf n SER 160 N 1.24 4.73 -3.72 1.62 7.64 0.29 -4.98 113.62 120.44 1itf n SER 160 Ca 0.15 -3.00 -0.30 0.00 1.01 0.00 0.00 58.87 56.73 1itf n SER 160 Cb 0.58 -1.57 0.25 0.00 -1.01 0.00 0.00 64.21 62.46 1itf n SER 160 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1itf s LEU 161 N 1.14 0.54 0.00 -3.43 1.43 -1.26 -4.98 118.68 112.12 1itf s LEU 161 Ca 0.43 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1itf s LEU 161 Cb 0.09 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1itf s LEU 161 CO -0.02 -4.27 0.00 0.54 0.23 0.00 0.00 176.35 172.83 1itf n ARG 162 N -4.85 0.00 0.00 1.70 1.74 -1.26 -5.14 116.66 108.84 1itf n ARG 162 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1itf n ARG 162 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1itf n ARG 162 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1itf n SER 163 N 0.00 0.00 -2.54 0.55 3.41 -1.26 -5.05 113.62 108.73 1itf n SER 163 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1itf n SER 163 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.03 2.89 0.00 4.33 4.76 -1.26 -5.35 118.16 123.50 1itf n LYS 164 Ca 0.00 -4.23 0.09 0.00 -2.87 0.00 0.00 58.31 51.31 1itf n LYS 164 Cb 0.00 -2.02 0.08 0.00 -1.84 0.00 0.00 35.03 31.25 1itf n LYS 164 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42