#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 6.23 0.15 0.00 8.00 -1.26 -4.81 116.55 124.85 1itf n ASP 2 Ca 0.00 -3.36 -0.12 0.00 0.71 0.00 0.00 54.79 52.01 1itf n ASP 2 Cb 0.00 -1.27 -0.08 0.00 -0.02 0.00 0.00 41.12 39.76 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 5.56 -0.35 -8.64 0.64 -0.00 -2.02 -3.39 115.31 107.12 1itf h LEU 3 Ca 0.20 -0.19 -0.55 0.00 -0.00 0.00 0.00 57.88 57.34 1itf h LEU 3 Cb 0.65 0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.35 1itf h LEU 3 CO 1.28 0.07 1.15 -2.16 -0.00 0.00 0.00 178.44 178.78 1itf s PRO 4 N -4.27 3.26 -1.06 1.13 0.04 -1.26 -4.94 135.00 127.90 1itf s PRO 4 Ca -0.13 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 1itf s PRO 4 Cb 0.02 -4.15 0.20 0.00 0.04 0.00 0.00 34.50 30.61 1itf s PRO 4 CO 0.50 -1.97 1.16 -1.14 0.04 0.00 0.00 177.00 175.59 1itf s GLN 5 N 5.64 3.95 0.00 4.56 0.74 -1.26 -4.74 119.66 128.55 1itf s GLN 5 Ca 0.59 -2.60 0.00 0.00 0.05 0.00 0.00 55.36 53.40 1itf s GLN 5 Cb -0.13 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 29.21 1itf s GLN 5 CO 0.27 -1.53 0.00 0.25 -0.55 0.00 0.00 175.29 173.73 1itf n THR 6 N 4.09 0.00 -3.64 -0.34 -2.24 -1.26 -5.11 114.28 105.78 1itf n THR 6 Ca 0.26 0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.84 1itf n THR 6 Cb 0.44 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1itf n THR 6 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1itf s HIS 7 N -0.49 2.16 -0.28 4.78 3.76 -1.26 -5.12 115.29 118.84 1itf s HIS 7 Ca 0.00 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.24 1itf s HIS 7 Cb 0.00 -2.08 0.11 0.00 1.11 0.00 0.00 32.58 31.73 1itf s HIS 7 CO 0.00 -0.36 0.20 -1.12 -0.85 0.00 0.00 174.74 172.61 1itf s SER 8 N -4.24 2.68 -0.07 1.40 0.01 -1.26 -4.97 113.70 107.25 1itf s SER 8 Ca 0.44 -1.02 0.08 0.00 1.31 0.00 0.00 55.95 56.76 1itf s SER 8 Cb -0.03 0.03 -0.12 0.00 0.21 0.00 0.00 66.02 66.11 1itf s SER 8 CO 0.27 -0.41 0.07 0.18 0.41 0.00 0.00 173.24 173.75 1itf n LEU 9 N 5.28 0.00 -0.36 2.44 4.32 -1.26 -4.29 117.00 123.13 1itf n LEU 9 Ca -0.04 0.00 0.29 0.00 -0.02 0.00 0.00 56.01 56.24 1itf n LEU 9 Cb 0.44 0.16 0.55 0.00 -1.62 0.00 0.00 43.42 42.95 1itf n LEU 9 CO 0.03 0.16 1.14 1.23 -1.22 0.00 0.00 177.39 178.74 1itf h GLY 10 N 1.70 1.85 0.39 -0.72 0.00 -1.96 0.39 103.07 104.72 1itf h GLY 10 Ca -0.18 -0.18 -0.34 0.00 0.00 0.00 0.00 47.33 46.62 1itf h GLY 10 CO 0.01 -0.51 -2.13 -1.14 0.00 0.00 0.00 176.54 172.77 1itf n SER 11 N -4.97 0.71 -0.06 0.19 3.41 -1.26 -3.57 113.62 108.07 1itf n SER 11 Ca 0.34 0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1itf n SER 11 Cb 1.16 0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 65.36 1itf n SER 11 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1itf h ARG 12 N 0.01 0.35 0.00 4.33 2.47 -1.19 -1.47 114.38 118.88 1itf h ARG 12 Ca -0.45 -0.15 -0.13 0.00 -1.26 0.00 0.00 59.98 57.99 1itf h ARG 12 Cb 2.11 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 30.40 1itf h ARG 12 CO 0.04 0.66 -0.60 0.07 0.56 0.00 0.00 179.97 180.70 1itf h ARG 13 N 0.03 0.00 -0.16 0.04 0.11 -0.53 -1.57 114.38 112.30 1itf h ARG 13 Ca 0.04 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.93 1itf h ARG 13 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 1itf h ARG 13 CO 0.02 0.60 -0.62 1.15 0.10 0.00 0.00 179.97 181.22 1itf h THR 14 N 0.00 1.31 -0.34 0.08 2.02 -1.60 -2.05 112.91 112.33 1itf h THR 14 Ca -0.01 -1.86 -0.17 0.00 0.77 0.00 0.00 66.41 65.14 1itf h THR 14 Cb 1.20 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1itf h THR 14 CO 0.08 0.58 -0.47 -0.07 0.37 0.00 0.00 175.52 176.01 1itf h LEU 15 N 0.39 1.00 -1.51 2.58 3.38 -1.25 -2.35 115.31 117.55 1itf h LEU 15 Ca -0.03 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1itf h LEU 15 Cb 1.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1itf h LEU 15 CO 0.13 1.30 -0.11 0.00 0.09 0.00 0.00 178.44 179.85 1itf h MET 16 N 0.72 0.18 -0.39 1.13 -0.00 -1.31 -1.30 114.93 113.96 1itf h MET 16 Ca 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1itf h MET 16 Cb 1.08 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.63 1itf h MET 16 CO 0.11 0.30 0.15 -0.07 -0.00 0.00 0.00 176.91 177.40 1itf h LEU 17 N 0.17 0.54 -1.99 -0.10 3.38 -1.06 -0.16 115.31 116.08 1itf h LEU 17 Ca 0.04 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1itf h LEU 17 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1itf h LEU 17 CO 0.02 0.57 0.08 -0.07 0.09 0.00 0.00 178.44 179.12 1itf h LEU 18 N 0.48 0.01 0.02 1.67 3.38 -0.74 -0.58 115.31 119.55 1itf h LEU 18 Ca 0.13 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 1itf h LEU 18 Cb 0.20 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1itf h LEU 18 CO -0.01 0.01 -1.11 0.00 0.09 0.00 0.00 178.44 177.42 1itf h ALA 19 N 1.94 0.11 -0.07 1.53 0.00 -0.39 -3.27 119.26 119.11 1itf h ALA 19 Ca 0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 1itf h ALA 19 Cb 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1itf h ALA 19 CO -0.00 0.71 -0.53 1.96 0.00 0.00 0.00 179.25 181.39 1itf h GLN 20 N 0.34 0.18 0.00 0.00 4.20 -0.16 -2.74 115.11 116.93 1itf h GLN 20 Ca -0.14 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1itf h GLN 20 Cb 1.76 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1itf h GLN 20 CO 0.21 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 1itf n MET 21 N -3.93 0.14 -1.64 1.46 0.00 -0.31 -4.77 117.12 108.07 1itf n MET 21 Ca -0.02 0.15 -0.42 0.00 0.00 0.00 0.00 57.70 57.41 1itf n MET 21 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.24 1itf n MET 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1itf n ARG 22 N -1.39 2.59 -0.01 3.17 0.63 -1.03 -4.80 116.66 115.82 1itf n ARG 22 Ca 0.07 0.90 -0.18 0.00 -0.92 0.00 0.00 57.85 57.72 1itf n ARG 22 Cb 0.18 -3.08 -0.14 0.00 0.45 0.00 0.00 32.46 29.87 1itf n ARG 22 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1itf n LYS 23 N 7.91 0.72 -4.51 -0.14 4.01 -1.26 -4.98 118.16 119.91 1itf n LYS 23 Ca 0.23 0.25 -0.24 0.00 -0.51 0.00 0.00 58.31 58.05 1itf n LYS 23 Cb 0.42 -1.71 -0.10 0.00 -0.51 0.00 0.00 35.03 33.12 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 1.35 0.25 -0.18 -4.36 -1.26 -5.14 121.20 109.29 1itf s ILE 24 Ca -0.18 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.12 1itf s ILE 24 Cb 0.07 -2.78 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 1itf s ILE 24 CO 0.77 0.00 0.55 -0.44 0.24 0.00 0.00 174.94 176.07 1itf s SER 25 N -3.57 6.56 0.50 4.36 0.01 -1.26 -4.96 113.70 115.34 1itf s SER 25 Ca 0.34 0.86 0.21 0.00 1.31 0.00 0.00 55.95 58.66 1itf s SER 25 Cb 0.08 -2.20 1.29 0.00 0.21 0.00 0.00 66.02 65.40 1itf s SER 25 CO 0.15 -0.12 2.08 0.25 0.41 0.00 0.00 173.24 176.01 1itf h LEU 26 N 2.24 0.00 -0.72 2.44 5.85 -1.91 -1.24 115.31 121.97 1itf h LEU 26 Ca -0.47 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1itf h LEU 26 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1itf h LEU 26 CO 0.68 0.11 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.38 1itf h PHE 27 N 0.00 0.80 0.00 1.25 0.04 -2.01 -1.08 116.94 115.94 1itf h PHE 27 Ca -0.00 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1itf h PHE 27 Cb 0.23 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1itf h PHE 27 CO 0.00 0.89 -0.08 0.66 -0.60 0.00 0.00 178.31 179.18 1itf h SER 28 N 0.61 0.00 -1.96 2.17 4.64 -1.62 -3.03 113.55 114.37 1itf h SER 28 Ca 0.08 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.78 1itf h SER 28 Cb 0.75 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.44 1itf h SER 28 CO 0.06 0.08 -0.44 0.00 -0.87 0.00 0.00 176.83 175.65 1itf n LEU 30 N -0.35 1.19 -0.00 0.00 4.77 -1.06 -3.53 117.00 118.02 1itf n LEU 30 Ca 0.37 -0.49 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 1itf n LEU 30 Cb 0.48 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1itf n LEU 30 CO 0.36 0.25 -0.61 2.29 -1.33 0.00 0.00 177.39 178.35 1itf n LYS 31 N 0.01 0.65 -0.66 3.23 2.85 -1.26 -4.25 118.16 118.72 1itf n LYS 31 Ca 0.16 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.42 1itf n LYS 31 Cb 0.26 -1.64 0.20 0.00 -0.65 0.00 0.00 35.03 33.20 1itf n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1itf n ASP 32 N -2.59 2.38 -4.52 -5.58 8.00 -1.23 -4.98 116.55 108.03 1itf n ASP 32 Ca -0.11 -3.69 -0.36 0.00 0.71 0.00 0.00 54.79 51.34 1itf n ASP 32 Cb 0.77 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 1itf n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itf s ARG 33 N -3.18 3.77 -0.06 -1.24 1.70 -1.24 -4.71 118.95 113.99 1itf s ARG 33 Ca 0.42 -0.43 -0.13 0.00 -0.47 0.00 0.00 55.73 55.12 1itf s ARG 33 Cb 0.38 -3.29 0.03 0.00 -0.57 0.00 0.00 34.95 31.49 1itf s ARG 33 CO -0.01 -0.03 0.31 -1.01 -1.08 0.00 0.00 175.30 173.48 1itf s HIS 34 N 1.19 -0.25 -0.16 5.89 3.76 -1.26 -5.05 115.29 119.42 1itf s HIS 34 Ca 0.05 0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 1itf s HIS 34 Cb -0.14 0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.60 1itf s HIS 34 CO 0.03 -0.29 1.83 0.34 -0.85 0.00 0.00 174.74 175.81 1itf s ASP 35 N -0.67 6.19 -0.02 1.40 -1.08 -1.26 -4.87 116.67 116.36 1itf s ASP 35 Ca -0.08 1.94 -0.25 0.00 -0.52 0.00 0.00 52.55 53.64 1itf s ASP 35 Cb -0.04 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.69 1itf s ASP 35 CO 0.02 -1.36 1.28 -0.26 0.52 0.00 0.00 175.17 175.38 1itf h PHE 36 N 11.65 0.03 0.00 -5.34 -1.00 -1.99 -3.48 116.94 116.81 1itf h PHE 36 Ca -0.39 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1itf h PHE 36 Cb 1.19 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1itf h PHE 36 CO 0.93 0.50 0.00 0.41 -1.61 0.00 0.00 178.31 178.53 1itf n GLY 37 N 0.20 0.67 3.70 -1.45 0.00 -1.26 -5.01 105.19 102.04 1itf n GLY 37 Ca -0.08 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 2.94 -1.47 1.61 5.36 -1.26 -4.68 117.98 120.48 1itf s PHE 38 Ca 0.00 0.80 -0.12 0.00 -0.96 0.00 0.00 56.93 56.64 1itf s PHE 38 Cb 0.00 -3.72 0.03 0.00 -0.34 0.00 0.00 43.02 38.99 1itf s PHE 38 CO 0.00 -2.63 2.36 -0.35 -1.46 0.00 0.00 175.22 173.13 1itf n PRO 39 N 4.85 3.20 0.21 10.12 -0.04 -1.26 -4.63 135.00 147.45 1itf n PRO 39 Ca 0.13 -2.66 0.14 0.00 -0.04 0.00 0.00 63.50 61.07 1itf n PRO 39 Cb 0.43 -3.11 0.49 0.00 -0.04 0.00 0.00 33.50 31.27 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 5.69 0.00 -0.18 0.54 5.75 -1.96 -2.80 115.11 122.15 1itf h GLN 40 Ca 0.62 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 59.15 1itf h GLN 40 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1itf h GLN 40 CO 1.82 0.00 0.12 0.93 -2.65 0.00 0.00 178.83 179.06 1itf h GLU 41 N 0.00 0.11 -1.03 1.69 5.08 -2.00 0.92 114.58 119.35 1itf h GLU 41 Ca 0.00 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.77 1itf h GLU 41 Cb 0.61 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 29.55 1itf h GLU 41 CO 0.00 0.07 0.75 -1.91 -1.00 0.00 0.00 179.01 176.92 1itf n GLU 42 N -4.50 2.43 -1.29 2.33 2.13 -1.05 -4.12 120.64 116.57 1itf n GLU 42 Ca 0.01 -3.01 0.03 0.00 0.66 0.00 0.00 57.16 54.85 1itf n GLU 42 Cb 0.18 -2.18 0.02 0.00 0.27 0.00 0.00 31.44 29.72 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 -0.91 0.00 0.00 4.31 3.72 0.32 -4.91 117.46 120.00 1itf n PHE 43 Ca 0.59 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1itf n PHE 43 Cb 1.05 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 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 0.39 0.86 3.74 1.37 0.00 -1.25 -4.75 105.19 105.56 1itf n GLY 44 Ca 0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 1.00 6.49 -0.87 1.61 -0.87 -1.26 -2.01 114.94 119.04 1itf s ASN 45 Ca 0.00 2.82 -0.00 0.00 -1.57 0.00 0.00 52.86 54.10 1itf s ASN 45 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1itf s ASN 45 CO 0.00 -0.83 0.05 0.00 -2.57 0.00 0.00 177.10 173.75 1itf n GLN 46 N 2.46 -1.10 -1.92 -0.60 6.02 -1.26 -4.91 117.38 116.07 1itf n GLN 46 Ca 0.08 0.49 0.01 0.00 -0.01 0.00 0.00 57.00 57.58 1itf n GLN 46 Cb 0.38 -4.54 0.03 0.00 1.02 0.00 0.00 30.24 27.13 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1itf n PHE 47 N -3.99 0.22 -4.23 1.08 3.72 -0.85 -4.56 117.46 108.86 1itf n PHE 47 Ca -0.11 -1.08 -0.13 0.00 -0.05 0.00 0.00 57.45 56.08 1itf n PHE 47 Cb 0.59 0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 39.06 1itf n PHE 47 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1itf s GLN 48 N -1.13 1.11 -1.13 -1.08 -2.07 -1.26 -4.00 119.66 110.10 1itf s GLN 48 Ca 0.26 -1.54 -0.04 0.00 -1.82 0.00 0.00 55.36 52.22 1itf s GLN 48 Cb 0.33 -0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1itf s GLN 48 CO -0.11 -0.19 0.94 1.63 -1.32 0.00 0.00 175.29 176.24 1itf n LYS 49 N -0.24 -4.19 -2.94 9.60 4.76 -1.26 -3.81 118.16 120.08 1itf n LYS 49 Ca -0.05 0.84 -0.02 0.00 -2.87 0.00 0.00 58.31 56.21 1itf n LYS 49 Cb 0.64 -5.77 0.00 0.00 -1.84 0.00 0.00 35.03 28.06 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1itf n ALA 50 N -3.68 -2.58 0.00 7.82 0.00 -1.26 -4.87 120.51 115.93 1itf n ALA 50 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1itf n ALA 50 Cb 0.64 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.41 0.00 -0.30 0.00 1.02 -1.25 -3.18 120.64 115.52 1itf n GLU 51 Ca 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 1itf n GLU 51 Cb 0.49 -0.08 0.17 0.00 -0.02 0.00 0.00 31.44 31.99 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 -2.31 0.87 -0.23 2.62 5.66 -1.26 -4.28 114.28 115.36 1itf n THR 52 Ca 0.00 -0.55 -0.02 0.00 -3.05 0.00 0.00 64.05 60.43 1itf n THR 52 Cb 0.00 -0.10 0.09 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.90 1.00 -0.21 1.09 2.04 -1.91 0.36 117.51 121.79 1itf h ILE 53 Ca 0.00 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1itf h ILE 53 Cb 0.83 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1itf h ILE 53 CO 0.12 0.13 -0.10 1.55 0.00 0.00 0.00 178.15 179.84 1itf h PRO 54 N 0.72 0.33 -0.12 2.37 0.13 -1.85 0.23 132.00 133.81 1itf h PRO 54 Ca 0.29 -0.08 -0.22 0.00 -0.87 0.00 0.00 66.00 65.13 1itf h PRO 54 Cb 0.15 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.24 1itf h PRO 54 CO -0.16 0.45 -0.79 0.28 -0.23 0.00 0.00 178.00 177.54 1itf h VAL 55 N 0.31 1.31 0.00 1.56 2.07 -1.53 -2.49 116.25 117.48 1itf h VAL 55 Ca 0.06 -2.05 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 1itf h VAL 55 Cb 0.38 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1itf h VAL 55 CO 0.02 0.64 -0.23 -0.07 0.02 0.00 0.00 177.57 177.95 1itf h LEU 56 N 0.46 0.00 0.03 2.57 3.38 0.30 0.67 115.31 122.72 1itf h LEU 56 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1itf h LEU 56 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1itf h LEU 56 CO 0.16 0.23 -0.02 -0.74 0.09 0.00 0.00 178.44 178.16 1itf h HIS 57 N 0.00 -0.04 0.00 1.13 2.76 -0.29 -0.18 115.15 118.53 1itf h HIS 57 Ca -0.00 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1itf h HIS 57 Cb 0.60 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 1itf h HIS 57 CO 0.00 0.50 -0.52 1.49 -1.30 0.00 0.00 177.93 178.10 1itf h GLU 58 N -0.61 0.00 -0.09 5.26 4.57 -1.36 -0.49 114.58 121.85 1itf h GLU 58 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1itf h GLU 58 Cb 0.56 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1itf h GLU 58 CO 0.01 0.52 -0.14 1.98 -1.18 0.00 0.00 179.01 180.20 1itf h MET 59 N 0.00 0.26 0.00 1.92 4.05 -0.86 -0.00 114.93 120.29 1itf h MET 59 Ca -0.01 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 1itf h MET 59 Cb 1.06 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1itf h MET 59 CO 0.07 0.72 -0.21 0.82 0.23 0.00 0.00 176.91 178.53 1itf h ILE 60 N -0.18 0.57 -0.33 1.77 2.04 -1.01 -0.76 117.51 119.61 1itf h ILE 60 Ca 0.01 -1.04 -0.17 0.00 1.00 0.00 0.00 64.86 64.66 1itf h ILE 60 Cb 0.69 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1itf h ILE 60 CO 0.03 0.21 -0.48 -0.61 0.00 0.00 0.00 178.15 177.30 1itf h GLN 61 N 0.00 0.90 -0.48 2.37 -0.00 -0.88 0.29 115.11 117.31 1itf h GLN 61 Ca -0.00 -0.53 -0.09 0.00 -0.00 0.00 0.00 58.65 58.02 1itf h GLN 61 Cb 0.68 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 1itf h GLN 61 CO 0.03 1.18 -0.08 1.96 0.00 0.00 0.00 178.83 181.92 1itf h GLN 62 N 0.71 0.86 0.00 1.69 1.08 -0.40 -1.55 115.11 117.50 1itf h GLN 62 Ca 0.03 -0.28 -0.10 0.00 -1.45 0.00 0.00 58.65 56.85 1itf h GLN 62 Cb 1.08 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1itf h GLN 62 CO 0.11 0.91 -0.48 0.82 -0.95 0.00 0.00 178.83 179.24 1itf h ILE 63 N 0.78 1.22 0.16 2.54 2.04 -0.95 0.69 117.51 123.98 1itf h ILE 63 Ca 0.13 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1itf h ILE 63 Cb 0.58 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1itf h ILE 63 CO 0.04 0.47 -0.08 0.15 0.00 0.00 0.00 178.15 178.73 1itf h PHE 64 N 0.00 -0.19 -0.02 1.37 3.04 0.51 -0.15 116.94 121.50 1itf h PHE 64 Ca -0.00 -0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1itf h PHE 64 Cb 0.91 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1itf h PHE 64 CO 0.00 0.04 -0.77 -0.97 -2.02 0.00 0.00 178.31 174.59 1itf h ASN 65 N -0.41 0.22 0.00 0.41 -0.00 -1.30 0.43 115.58 114.94 1itf h ASN 65 Ca -0.02 -0.16 -0.04 0.00 -0.00 0.00 0.00 56.30 56.08 1itf h ASN 65 Cb 0.32 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.57 1itf h ASN 65 CO 0.04 0.90 -0.09 0.25 -0.00 0.00 0.00 177.43 178.53 1itf h LEU 66 N 0.11 0.20 0.00 0.34 5.85 -0.76 0.22 115.31 121.28 1itf h LEU 66 Ca -0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1itf h LEU 66 Cb 1.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1itf h LEU 66 CO 0.12 0.31 -1.13 0.49 -0.34 0.00 0.00 178.44 177.89 1itf n PHE 67 N -4.33 0.00 0.66 1.25 3.01 -0.08 -4.15 117.46 113.83 1itf n PHE 67 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1itf n PHE 67 Cb 0.23 -0.08 0.11 0.00 -0.01 0.00 0.00 39.48 39.73 1itf n PHE 67 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1itf n SER 68 N -1.60 0.63 -4.65 4.37 2.88 0.15 -3.95 113.62 111.45 1itf n SER 68 Ca 0.03 -0.14 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 1itf n SER 68 Cb 0.36 0.51 0.08 0.00 -0.75 0.00 0.00 64.21 64.40 1itf n SER 68 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1itf n THR 69 N -1.91 3.59 0.27 2.46 -2.24 0.02 -4.66 114.28 111.81 1itf n THR 69 Ca 0.03 -0.43 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1itf n THR 69 Cb 0.41 -1.22 0.76 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.09 0.00 0.00 -0.78 1.57 -1.92 0.33 116.57 115.87 1itf h LYS 70 Ca -0.49 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.04 1itf h LYS 70 Cb 1.34 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.67 1itf h LYS 70 CO 0.49 0.10 -1.02 -0.44 -0.57 0.00 0.00 179.45 178.00 1itf h ASP 71 N 0.00 0.81 0.68 0.86 3.32 -1.95 -2.65 116.42 117.49 1itf h ASP 71 Ca -0.00 -0.65 -0.22 0.00 0.02 0.00 0.00 57.03 56.18 1itf h ASP 71 Cb 0.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1itf h ASP 71 CO 0.01 1.45 -1.01 0.77 -1.72 0.00 0.00 179.24 178.74 1itf h SER 72 N 0.35 0.26 -0.09 6.45 4.64 -1.61 -1.45 113.55 122.11 1itf h SER 72 Ca -0.12 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1itf h SER 72 Cb 1.67 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 1itf h SER 72 CO 0.19 1.12 -0.15 -1.28 -0.87 0.00 0.00 176.83 175.84 1itf h SER 73 N 0.08 0.43 1.20 4.97 0.87 -0.41 -1.18 113.55 119.51 1itf h SER 73 Ca -0.07 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1itf h SER 73 Cb 1.70 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.53 1itf h SER 73 CO 0.16 0.61 -0.84 0.00 -0.53 0.00 0.00 176.83 176.23 1itf h ALA 74 N 1.43 0.64 -0.26 6.23 0.00 -1.46 -3.29 119.26 122.55 1itf h ALA 74 Ca 0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1itf h ALA 74 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1itf h ALA 74 CO 0.03 0.77 -0.36 0.00 0.00 0.00 0.00 179.25 179.69 1itf h ALA 75 N 1.44 0.89 -1.57 0.00 0.00 -0.57 -3.45 119.26 116.00 1itf h ALA 75 Ca -0.06 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 53.84 1itf h ALA 75 Cb 1.48 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1itf h ALA 75 CO 0.06 0.63 -0.54 -1.58 0.00 0.00 0.00 179.25 177.82 1itf s TRP 76 N -4.33 2.53 0.23 0.00 0.52 -0.51 -4.98 118.94 112.41 1itf s TRP 76 Ca -0.08 -0.64 -0.30 0.00 0.02 0.00 0.00 56.10 55.10 1itf s TRP 76 Cb 0.13 -1.87 -0.10 0.00 -1.15 0.00 0.00 33.47 30.48 1itf s TRP 76 CO 0.82 0.29 1.45 -0.51 0.02 0.00 0.00 176.95 179.03 1itf s ASP 77 N -3.82 6.65 0.44 2.95 1.11 -1.26 -4.78 116.67 117.96 1itf s ASP 77 Ca 0.37 2.64 0.17 0.00 0.18 0.00 0.00 52.55 55.91 1itf s ASP 77 Cb 0.06 -2.62 1.00 0.00 1.07 0.00 0.00 42.92 42.43 1itf s ASP 77 CO 0.20 -0.71 1.94 1.05 1.18 0.00 0.00 175.17 178.83 1itf h GLU 78 N 5.35 0.00 0.10 8.23 4.11 -1.96 0.26 114.58 130.67 1itf h GLU 78 Ca -0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.80 1itf h GLU 78 Cb 1.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.80 0.24 -0.73 1.15 0.07 0.00 0.00 179.01 180.54 1itf h THR 79 N 0.00 1.49 -0.46 -1.06 2.02 -1.96 0.33 112.91 113.28 1itf h THR 79 Ca -0.00 -2.39 -0.03 0.00 0.77 0.00 0.00 66.41 64.76 1itf h THR 79 Cb 0.46 3.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 1itf h THR 79 CO 0.03 0.68 0.18 -0.07 0.37 0.00 0.00 175.52 176.71 1itf h LEU 80 N -0.30 0.60 -0.37 2.58 3.38 -1.89 -0.83 115.31 118.48 1itf h LEU 80 Ca -0.12 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 1itf h LEU 80 Cb 1.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1itf h LEU 80 CO 0.14 0.55 -0.82 -0.07 0.09 0.00 0.00 178.44 178.33 1itf h LEU 81 N 0.65 0.23 -0.22 1.67 3.38 -0.49 -2.14 115.31 118.40 1itf h LEU 81 Ca 0.16 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1itf h LEU 81 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1itf h LEU 81 CO -0.01 0.95 -0.04 0.44 0.09 0.00 0.00 178.44 179.86 1itf h ASP 82 N 0.11 -0.17 -0.70 -0.43 3.32 0.11 0.63 116.42 119.29 1itf h ASP 82 Ca -0.03 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1itf h ASP 82 Cb 1.42 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 1itf h ASP 82 CO 0.12 -0.06 0.18 0.11 -1.72 0.00 0.00 179.24 177.88 1itf h LYS 83 N 0.02 1.12 0.00 3.56 1.57 -1.34 -1.32 116.57 120.17 1itf h LYS 83 Ca 0.10 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1itf h LYS 83 Cb 0.15 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1itf h LYS 83 CO -0.21 0.98 -0.06 0.35 -0.57 0.00 0.00 179.45 179.94 1itf h PHE 84 N 1.07 0.00 0.01 -1.35 3.57 -0.45 0.12 116.94 119.92 1itf h PHE 84 Ca 0.22 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.48 1itf h PHE 84 Cb 0.36 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.12 1itf h PHE 84 CO 0.03 0.06 -0.96 1.88 -2.23 0.00 0.00 178.31 177.09 1itf h TYR 85 N 0.00 0.94 -0.12 0.41 0.05 0.13 -1.49 116.97 116.90 1itf h TYR 85 Ca -0.00 -0.52 -0.11 0.00 0.05 0.00 0.00 58.73 58.14 1itf h TYR 85 Cb 0.15 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1itf h TYR 85 CO 0.00 1.36 -0.43 1.15 -1.05 0.00 0.00 178.16 179.19 1itf h THR 86 N 0.26 1.32 -0.04 -2.88 2.02 -0.74 -0.22 112.91 112.63 1itf h THR 86 Ca -0.12 -1.58 -0.20 0.00 0.77 0.00 0.00 66.41 65.27 1itf h THR 86 Cb 1.63 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1itf h THR 86 CO 0.19 0.47 -0.83 -0.33 0.37 0.00 0.00 175.52 175.40 1itf h GLU 87 N 0.23 0.40 -0.26 6.66 3.07 -1.01 0.11 114.58 123.79 1itf h GLU 87 Ca 0.02 -0.38 -0.16 0.00 -0.50 0.00 0.00 59.36 58.34 1itf h GLU 87 Cb 0.86 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1itf h GLU 87 CO 0.07 1.03 -0.47 -0.07 -1.40 0.00 0.00 179.01 178.17 1itf h LEU 88 N 0.25 0.87 -0.30 1.33 3.38 -1.07 -2.21 115.31 117.56 1itf h LEU 88 Ca -0.05 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 1itf h LEU 88 Cb 1.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1itf h LEU 88 CO 0.14 1.24 -0.62 0.22 0.09 0.00 0.00 178.44 179.51 1itf h TYR 89 N 0.53 0.00 -0.00 1.13 3.20 -1.04 -0.20 116.97 120.59 1itf h TYR 89 Ca 0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1itf h TYR 89 Cb 1.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1itf h TYR 89 CO 0.08 0.62 -0.00 0.37 -1.64 0.00 0.00 178.16 177.58 1itf h GLN 90 N 0.00 0.01 -0.11 1.82 4.15 -0.73 0.16 115.11 120.41 1itf h GLN 90 Ca -0.01 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1itf h GLN 90 Cb 1.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 1itf h GLN 90 CO 0.08 0.50 -0.31 0.37 -1.93 0.00 0.00 178.83 177.54 1itf h GLN 91 N -0.49 0.20 -0.29 1.69 5.75 -1.45 -2.09 115.11 118.44 1itf h GLN 91 Ca 0.00 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 1itf h GLN 91 Cb 0.50 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1itf h GLN 91 CO 0.00 0.50 -0.19 -0.07 -2.65 0.00 0.00 178.83 176.42 1itf h LEU 92 N 0.18 0.53 -0.31 -2.39 3.38 -0.86 0.94 115.31 116.78 1itf h LEU 92 Ca 0.02 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 92 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1itf h LEU 92 CO 0.05 0.73 -0.27 -1.13 0.09 0.00 0.00 178.44 177.92 1itf h ASN 93 N 0.48 0.78 0.05 -0.43 -1.24 -0.04 -1.40 115.58 113.79 1itf h ASN 93 Ca 0.08 -0.45 -0.14 0.00 0.71 0.00 0.00 56.30 56.50 1itf h ASN 93 Cb 0.60 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1itf h ASN 93 CO 0.04 1.07 -0.46 -0.78 -1.29 0.00 0.00 177.43 176.01 1itf h ASP 94 N 0.50 0.52 -0.62 1.15 3.58 -1.20 -0.63 116.42 119.72 1itf h ASP 94 Ca 0.06 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.18 1itf h ASP 94 Cb 0.83 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1itf h ASP 94 CO 0.07 0.90 0.06 -0.07 -2.88 0.00 0.00 179.24 177.31 1itf h LEU 95 N 0.39 1.04 -0.22 2.28 3.38 -0.69 -1.37 115.31 120.12 1itf h LEU 95 Ca 0.03 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 1itf h LEU 95 Cb 0.95 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1itf h LEU 95 CO 0.08 1.06 -0.75 -0.08 0.09 0.00 0.00 178.44 178.85 1itf h GLU 96 N 1.00 0.74 -1.00 1.13 4.57 -1.11 -2.53 114.58 117.38 1itf h GLU 96 Ca 0.19 -0.59 0.06 0.00 -1.18 0.00 0.00 59.36 57.84 1itf h GLU 96 Cb 0.49 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 1itf h GLU 96 CO 0.02 1.20 0.65 0.00 -1.18 0.00 0.00 179.01 179.70 1itf h ALA 97 N 0.64 1.36 -0.30 2.92 0.00 -0.90 0.31 119.26 123.30 1itf h ALA 97 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1itf h ALA 97 Cb 1.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1itf h ALA 97 CO 0.15 0.48 0.17 0.00 0.00 0.00 0.00 179.25 180.05 1itf h VAL 99 N 0.37 1.21 0.22 0.00 2.07 -0.73 -3.11 116.25 116.29 1itf h VAL 99 Ca 0.11 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1itf h VAL 99 Cb 0.04 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1itf h VAL 99 CO -0.02 0.24 -0.11 0.40 0.02 0.00 0.00 177.57 178.10 1itf h ILE 100 N 0.81 0.85 -4.09 4.57 2.04 -0.17 -3.44 117.51 118.08 1itf h ILE 100 Ca 0.20 -0.49 -0.45 0.00 1.00 0.00 0.00 64.86 65.12 1itf h ILE 100 Cb 0.11 1.13 0.15 0.00 -0.74 0.00 0.00 36.82 37.47 1itf h ILE 100 CO -0.03 0.11 0.29 -1.10 0.00 0.00 0.00 178.15 177.42 1itf s GLN 101 N -5.10 0.68 0.28 2.37 -1.52 0.03 -4.96 119.66 111.44 1itf s GLN 101 Ca -0.15 0.14 0.05 0.00 -1.95 0.00 0.00 55.36 53.45 1itf s GLN 101 Cb 0.03 -1.80 0.39 0.00 -0.22 0.00 0.00 33.01 31.41 1itf s GLN 101 CO 0.60 -2.48 1.66 0.78 -0.25 0.00 0.00 175.29 175.61 1itf h GLY 102 N -1.70 0.30 -6.80 3.09 0.00 -1.86 -3.43 103.07 92.66 1itf h GLY 102 Ca -0.49 -0.30 -0.66 0.00 0.00 0.00 0.00 47.33 45.88 1itf h GLY 102 CO 0.54 0.27 1.35 3.33 0.00 0.00 0.00 176.54 182.03 1itf n VAL 103 N -4.00 0.25 0.00 4.60 0.24 -1.26 -4.53 118.33 113.63 1itf n VAL 103 Ca -0.02 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1itf n VAL 103 Cb 0.51 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 1itf n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1itf n GLY 104 N 6.06 0.13 2.99 7.63 0.00 -1.26 -4.38 105.19 116.37 1itf n GLY 104 Ca 0.37 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 1itf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itf s VAL 105 N -4.00 0.62 -0.29 1.61 0.11 -1.19 -4.75 120.40 112.50 1itf s VAL 105 Ca 0.00 -0.31 -0.17 0.00 -2.93 0.00 0.00 61.98 58.58 1itf s VAL 105 Cb 0.00 -0.54 0.18 0.00 -1.53 0.00 0.00 36.38 34.49 1itf s VAL 105 CO 0.00 0.19 1.14 0.42 -3.33 0.00 0.00 175.10 173.52 1itf s THR 106 N 0.01 0.00 0.00 5.04 -4.23 -1.26 -5.03 115.64 110.16 1itf s THR 106 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1itf s THR 106 Cb -0.05 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1itf s THR 106 CO -0.00 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.29 1itf n GLU 107 N 3.24 0.00 0.00 3.99 2.13 -1.26 -5.06 120.64 123.69 1itf n GLU 107 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1itf n GLU 107 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1itf n GLU 107 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1itf n THR 108 N -2.15 0.00 -3.48 6.31 5.66 -1.26 -5.15 114.28 114.21 1itf n THR 108 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1itf n THR 108 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1itf n THR 108 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1itf s PRO 109 N 0.00 4.18 0.41 1.09 0.04 -1.26 -4.95 135.00 134.50 1itf s PRO 109 Ca 0.00 0.24 0.28 0.00 0.04 0.00 0.00 61.00 61.56 1itf s PRO 109 Cb 0.00 -3.38 0.93 0.00 0.04 0.00 0.00 34.50 32.09 1itf s PRO 109 CO 0.00 0.33 1.80 1.25 0.04 0.00 0.00 177.00 180.42 1itf h LEU 110 N 6.23 0.00 -0.06 -3.56 5.85 -2.04 -2.52 115.31 119.20 1itf h LEU 110 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1itf h LEU 110 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1itf h LEU 110 CO 0.72 0.00 0.00 1.15 -0.34 0.00 0.00 178.44 179.97 1itf n MET 111 N -2.79 1.04 -0.12 1.25 0.00 -1.26 -3.78 117.12 111.46 1itf n MET 111 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 57.70 57.78 1itf n MET 111 Cb 0.37 -1.41 0.47 0.00 0.00 0.00 0.00 33.22 32.65 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 0.14 0.46 0.00 3.17 5.09 -1.87 -1.86 116.57 121.71 1itf h LYS 112 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 60.65 60.68 1itf h LYS 112 Cb 0.03 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.25 1itf h LYS 112 CO 0.00 0.30 -1.90 -1.91 -2.09 0.00 0.00 179.45 173.85 1itf n GLU 113 N -4.48 0.62 -0.30 0.07 4.07 -1.25 -4.34 120.64 115.04 1itf n GLU 113 Ca 0.11 -0.16 -0.03 0.00 -0.06 0.00 0.00 57.16 57.02 1itf n GLU 113 Cb 0.39 -1.45 0.09 0.00 -0.06 0.00 0.00 31.44 30.41 1itf n GLU 113 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1itf h ASP 114 N 0.00 0.92 0.06 4.31 3.58 -1.48 1.31 116.42 125.12 1itf h ASP 114 Ca -0.04 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1itf h ASP 114 Cb 0.98 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1itf h ASP 114 CO 0.00 0.65 -0.03 0.77 -2.88 0.00 0.00 179.24 177.76 1itf h SER 115 N 1.08 -0.07 -0.21 2.28 4.64 -1.65 0.12 113.55 119.75 1itf h SER 115 Ca 0.32 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1itf h SER 115 Cb -0.07 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1itf h SER 115 CO -0.09 0.10 -0.16 0.40 -0.87 0.00 0.00 176.83 176.22 1itf h ILE 116 N -0.23 1.25 -0.42 0.95 2.04 -1.67 -2.27 117.51 117.16 1itf h ILE 116 Ca -0.01 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1itf h ILE 116 Cb 0.21 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1itf h ILE 116 CO 0.01 0.38 0.05 0.25 0.00 0.00 0.00 178.15 178.85 1itf h LEU 117 N 0.56 0.61 -0.03 1.44 6.46 0.20 0.25 115.31 124.79 1itf h LEU 117 Ca 0.09 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1itf h LEU 117 Cb 0.59 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1itf h LEU 117 CO 0.04 0.64 0.01 0.00 -0.62 0.00 0.00 178.44 178.52 1itf h ALA 118 N 1.43 0.05 0.00 1.25 0.00 -0.22 -0.68 119.26 121.09 1itf h ALA 118 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1itf h ALA 118 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1itf h ALA 118 CO 0.01 -0.35 -0.14 0.28 0.00 0.00 0.00 179.25 179.04 1itf h VAL 119 N -0.14 0.97 -0.13 0.00 2.07 -1.02 -1.59 116.25 116.41 1itf h VAL 119 Ca 0.01 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1itf h VAL 119 Cb 0.20 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1itf h VAL 119 CO -0.00 0.14 0.03 -0.09 0.02 0.00 0.00 177.57 177.67 1itf h ARG 120 N 0.00 0.21 -0.45 1.57 1.12 0.35 -0.73 114.38 116.46 1itf h ARG 120 Ca -0.00 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 1itf h ARG 120 Cb 0.28 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 1itf h ARG 120 CO 0.02 0.38 0.09 -0.22 -3.11 0.00 0.00 179.97 177.13 1itf h LYS 121 N 0.01 0.69 0.33 0.20 3.11 -0.67 0.25 116.57 120.48 1itf h LYS 121 Ca 0.04 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1itf h LYS 121 Cb 0.27 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1itf h LYS 121 CO 0.00 0.64 -0.16 -0.92 -2.81 0.00 0.00 179.45 176.20 1itf h TYR 122 N 0.67 -0.41 0.00 1.91 3.20 -0.93 -1.45 116.97 119.95 1itf h TYR 122 Ca 0.15 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1itf h TYR 122 Cb 0.28 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1itf h TYR 122 CO 0.01 -0.22 -0.12 0.74 -1.64 0.00 0.00 178.16 176.93 1itf h PHE 123 N -0.49 0.00 -0.54 -3.82 -1.00 -0.91 -2.11 116.94 108.07 1itf h PHE 123 Ca -0.04 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 1itf h PHE 123 Cb 0.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1itf h PHE 123 CO -0.04 0.12 -0.06 0.37 -1.61 0.00 0.00 178.31 177.09 1itf h GLN 124 N 0.00 0.99 -0.27 1.51 5.75 -0.01 0.29 115.11 123.37 1itf h GLN 124 Ca -0.00 -0.35 -0.13 0.00 -0.15 0.00 0.00 58.65 58.02 1itf h GLN 124 Cb 0.62 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1itf h GLN 124 CO 0.02 1.02 -0.36 -0.09 -2.65 0.00 0.00 178.83 176.76 1itf h ARG 125 N 0.87 0.61 -0.42 1.69 2.43 -0.87 -2.13 114.38 116.55 1itf h ARG 125 Ca 0.15 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1itf h ARG 125 Cb 0.61 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1itf h ARG 125 CO 0.04 0.88 -0.06 0.82 -1.51 0.00 0.00 179.97 180.13 1itf h ILE 126 N 0.51 1.24 -0.37 1.20 2.04 -0.94 0.10 117.51 121.29 1itf h ILE 126 Ca 0.05 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 64.74 1itf h ILE 126 Cb 0.86 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1itf h ILE 126 CO 0.07 0.36 -0.20 0.74 0.00 0.00 0.00 178.15 179.12 1itf h THR 127 N 0.66 1.28 -0.16 -0.27 2.02 -0.68 -1.97 112.91 113.80 1itf h THR 127 Ca 0.12 -1.34 -0.12 0.00 0.77 0.00 0.00 66.41 65.84 1itf h THR 127 Cb 0.50 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1itf h THR 127 CO 0.03 0.44 -0.42 0.25 0.37 0.00 0.00 175.52 176.19 1itf h LEU 128 N 0.58 0.39 -0.96 2.58 6.46 -1.16 -2.02 115.31 121.19 1itf h LEU 128 Ca 0.08 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1itf h LEU 128 Cb 0.76 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1itf h LEU 128 CO 0.06 0.77 0.27 0.22 -0.62 0.00 0.00 178.44 179.14 1itf h TYR 129 N 0.30 1.04 -0.35 1.25 3.20 -0.59 0.27 116.97 122.10 1itf h TYR 129 Ca 0.03 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 1itf h TYR 129 Cb 0.88 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1itf h TYR 129 CO 0.02 0.80 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.11 1itf h LEU 130 N 1.01 0.74 -1.43 2.82 3.38 -1.06 -1.72 115.31 119.05 1itf h LEU 130 Ca 0.23 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1itf h LEU 130 Cb 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1itf h LEU 130 CO -0.02 0.98 -0.16 0.11 0.09 0.00 0.00 178.44 179.44 1itf h LYS 131 N 0.50 0.00 -0.01 1.13 1.57 -0.89 0.68 116.57 119.55 1itf h LYS 131 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1itf h LYS 131 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1itf h LYS 131 CO 0.05 0.16 -0.09 1.49 -0.57 0.00 0.00 179.45 180.49 1itf h GLU 132 N 0.00 0.08 -0.05 3.15 4.81 -0.09 -3.06 114.58 119.41 1itf h GLU 132 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1itf h GLU 132 Cb 0.59 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1itf h GLU 132 CO 0.02 0.78 0.00 1.63 -0.73 0.00 0.00 179.01 180.71 1itf n LYS 133 N -4.66 1.25 -3.58 1.92 4.01 -0.68 -4.90 118.16 111.53 1itf n LYS 133 Ca -0.09 -0.38 -0.22 0.00 -0.51 0.00 0.00 58.31 57.10 1itf n LYS 133 Cb 0.40 -1.34 0.08 0.00 -0.51 0.00 0.00 35.03 33.66 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 -0.41 -7.19 -3.52 1.97 4.76 0.41 -2.31 118.16 111.87 1itf n LYS 134 Ca 0.15 0.80 -0.19 0.00 -2.87 0.00 0.00 58.31 56.21 1itf n LYS 134 Cb 0.16 -5.81 0.07 0.00 -1.84 0.00 0.00 35.03 27.62 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1itf n TYR 135 N -4.68 -2.15 -2.44 2.13 4.01 0.21 -4.96 117.16 109.28 1itf n TYR 135 Ca -0.10 0.92 -0.33 0.00 -0.16 0.00 0.00 57.90 58.23 1itf n TYR 135 Cb 0.60 -4.88 -0.03 0.00 -0.31 0.00 0.00 39.34 34.72 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 -4.30 6.30 0.46 7.72 0.15 -0.98 -4.89 113.70 118.17 1itf s SER 136 Ca 0.04 1.84 0.16 0.00 0.70 0.00 0.00 55.95 58.69 1itf s SER 136 Cb -0.02 -2.55 1.08 0.00 -1.71 0.00 0.00 66.02 62.83 1itf s SER 136 CO 0.75 -0.81 2.01 1.55 1.20 0.00 0.00 173.24 177.95 1itf h PRO 137 N 1.27 0.00 0.08 5.44 0.13 -1.93 0.49 132.00 137.49 1itf h PRO 137 Ca -0.49 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 1itf h PRO 137 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1itf h PRO 137 CO 0.59 0.16 -1.17 0.00 -0.23 0.00 0.00 178.00 177.36 1itf h ALA 139 N 0.39 1.11 -0.15 0.00 0.00 -1.68 -0.77 119.26 118.16 1itf h ALA 139 Ca -0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1itf h ALA 139 Cb 1.83 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1itf h ALA 139 CO 0.22 0.62 -0.48 -1.49 0.00 0.00 0.00 179.25 178.12 1itf h TRP 140 N 1.01 0.48 -0.47 0.00 4.06 -0.92 -0.54 115.95 119.57 1itf h TRP 140 Ca 0.22 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 1itf h TRP 140 Cb 0.26 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 1itf h TRP 140 CO 0.02 0.80 0.12 1.49 -3.56 0.00 0.00 178.44 177.31 1itf h GLU 141 N 0.31 0.74 -0.49 0.49 4.57 -0.58 0.40 114.58 120.02 1itf h GLU 141 Ca 0.02 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 57.93 1itf h GLU 141 Cb 0.96 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1itf h GLU 141 CO 0.08 0.73 -0.05 0.28 -1.18 0.00 0.00 179.01 178.87 1itf h VAL 142 N 0.62 1.27 0.00 0.32 2.07 -1.01 -1.94 116.25 117.58 1itf h VAL 142 Ca 0.15 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1itf h VAL 142 Cb 0.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1itf h VAL 142 CO 0.00 0.40 -0.18 0.58 0.02 0.00 0.00 177.57 178.40 1itf h VAL 143 N 0.76 0.57 -0.06 2.57 2.07 -0.81 0.31 116.25 121.66 1itf h VAL 143 Ca 0.13 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1itf h VAL 143 Cb 0.59 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1itf h VAL 143 CO 0.04 0.17 -0.04 -0.09 0.02 0.00 0.00 177.57 177.67 1itf h ARG 144 N 0.00 0.13 -0.01 1.57 2.43 0.52 0.17 114.38 119.19 1itf h ARG 144 Ca -0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1itf h ARG 144 Cb 0.54 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1itf h ARG 144 CO 0.02 0.54 -0.42 0.00 -1.51 0.00 0.00 179.97 178.60 1itf h ALA 145 N 0.58 1.28 -0.06 2.80 0.00 -1.10 -0.36 119.26 122.41 1itf h ALA 145 Ca 0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 1itf h ALA 145 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1itf h ALA 145 CO 0.01 0.54 -0.73 0.93 0.00 0.00 0.00 179.25 180.00 1itf h GLU 146 N 0.02 0.30 0.04 0.00 4.39 -0.78 -0.20 114.58 118.35 1itf h GLU 146 Ca -0.00 -0.25 -0.22 0.00 0.34 0.00 0.00 59.36 59.22 1itf h GLU 146 Cb 0.76 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1itf h GLU 146 CO 0.06 0.90 -1.00 0.82 -1.16 0.00 0.00 179.01 178.63 1itf h ILE 147 N 0.21 1.51 -0.19 3.13 1.08 -0.33 -0.47 117.51 122.44 1itf h ILE 147 Ca -0.03 -2.82 -0.20 0.00 -0.39 0.00 0.00 64.86 61.43 1itf h ILE 147 Cb 1.29 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.69 1itf h ILE 147 CO 0.12 0.82 -0.67 -0.03 -0.69 0.00 0.00 178.15 177.69 1itf h MET 148 N 0.10 0.73 -0.11 2.37 1.85 -1.02 -0.23 114.93 118.62 1itf h MET 148 Ca -0.07 -0.54 -0.06 0.00 -0.61 0.00 0.00 59.70 58.43 1itf h MET 148 Cb 1.68 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.80 1itf h MET 148 CO 0.16 1.16 -0.16 -0.09 -0.40 0.00 0.00 176.91 177.58 1itf h ARG 149 N 0.53 0.30 -0.76 0.39 2.43 -1.04 -0.62 114.38 115.60 1itf h ARG 149 Ca -0.02 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1itf h ARG 149 Cb 1.28 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1itf h ARG 149 CO 0.14 0.75 0.39 0.66 -1.51 0.00 0.00 179.97 180.39 1itf h SER 150 N -0.11 0.97 -0.49 -3.80 4.64 -1.10 0.17 113.55 113.83 1itf h SER 150 Ca 0.01 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 1itf h SER 150 Cb 0.71 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1itf h SER 150 CO 0.04 0.81 -0.01 0.15 -0.87 0.00 0.00 176.83 176.95 1itf h PHE 151 N 1.06 0.96 -0.29 4.77 3.04 -1.00 -0.40 116.94 125.08 1itf h PHE 151 Ca 0.26 -0.17 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 1itf h PHE 151 Cb 0.08 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 1itf h PHE 151 CO 0.01 0.90 -0.15 0.77 -2.02 0.00 0.00 178.31 177.82 1itf h SER 152 N 0.74 0.49 -0.39 0.41 0.02 -0.71 -0.12 113.55 113.99 1itf h SER 152 Ca 0.14 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1itf h SER 152 Cb 0.53 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1itf h SER 152 CO 0.03 0.66 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.09 1itf h LEU 153 N 0.46 0.91 -0.66 5.07 3.38 -0.29 0.37 115.31 124.55 1itf h LEU 153 Ca 0.08 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1itf h LEU 153 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1itf h LEU 153 CO 0.03 1.09 -0.51 0.28 0.09 0.00 0.00 178.44 179.42 1itf h SER 154 N 0.77 0.00 -0.07 -0.43 0.02 -0.64 -3.13 113.55 110.07 1itf h SER 154 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1itf h SER 154 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1itf h SER 154 CO 0.06 0.51 0.00 0.35 -1.14 0.00 0.00 176.83 176.62 1itf n THR 155 N -3.53 0.07 1.23 -2.27 -2.24 -0.09 -4.19 114.28 103.25 1itf n THR 155 Ca -0.00 -0.53 0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1itf n THR 155 Cb 0.61 1.41 0.62 0.00 -2.10 0.00 0.00 70.33 70.87 1itf n THR 155 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1itf n ASN 156 N 1.30 0.00 -0.29 3.42 0.23 0.13 -2.44 115.26 117.61 1itf n ASN 156 Ca 0.14 -0.31 -0.01 0.00 -0.53 0.00 0.00 54.58 53.87 1itf n ASN 156 Cb 0.57 -0.18 0.17 0.00 -2.08 0.00 0.00 39.78 38.27 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1itf h LEU 157 N 0.00 1.00 0.00 -4.53 -0.00 -1.77 0.18 115.31 110.20 1itf h LEU 157 Ca 0.00 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 57.65 1itf h LEU 157 Cb 0.13 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 1itf h LEU 157 CO 0.00 0.74 -1.86 0.00 -0.00 0.00 0.00 178.44 177.32 1itf n GLN 158 N -4.39 1.52 0.23 1.13 1.13 -1.19 -4.43 117.38 111.38 1itf n GLN 158 Ca 0.10 -0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.25 1itf n GLN 158 Cb 0.04 -1.34 0.38 0.00 0.11 0.00 0.00 30.24 29.42 1itf n GLN 158 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1itf h GLU 159 N 0.00 0.00 -1.05 -1.09 4.57 -1.46 -3.13 114.58 112.42 1itf h GLU 159 Ca -0.28 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.22 1itf h GLU 159 Cb 1.57 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.86 1itf h GLU 159 CO 0.02 0.07 0.77 0.45 -1.18 0.00 0.00 179.01 179.14 1itf n SER 160 N -3.14 7.51 -0.15 1.04 2.88 0.64 -4.52 113.62 117.87 1itf n SER 160 Ca 0.02 -3.79 -0.09 0.00 -1.33 0.00 0.00 58.87 53.68 1itf n SER 160 Cb 0.45 -0.94 -0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1itf n SER 160 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1itf h LEU 161 N 2.08 0.63 0.00 2.46 6.46 -1.77 -3.44 115.31 121.72 1itf h LEU 161 Ca 0.59 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1itf h LEU 161 Cb 0.81 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1itf h LEU 161 CO 1.53 0.65 0.00 -1.14 -0.62 0.00 0.00 178.44 178.86 1itf n ARG 162 N -4.58 0.00 -3.22 1.25 0.63 -1.26 -5.06 116.66 104.42 1itf n ARG 162 Ca 0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 1itf n ARG 162 Cb 0.17 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.00 1itf n ARG 162 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1itf s SER 163 N -3.58 6.32 -0.58 6.15 0.15 -1.26 -4.93 113.70 115.97 1itf s SER 163 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1itf s SER 163 Cb 0.00 -2.28 0.47 0.00 -1.71 0.00 0.00 66.02 62.51 1itf s SER 163 CO 0.00 -0.53 1.88 2.29 1.20 0.00 0.00 173.24 178.08 1itf n LYS 164 N 5.82 2.76 0.00 5.44 2.85 -1.26 -4.55 118.16 129.23 1itf n LYS 164 Ca -0.04 -3.40 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 1itf n LYS 164 Cb 0.49 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 1itf n LYS 164 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74