#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ily s MET 1 N 0.00 4.43 -0.21 -1.46 -1.94 0.41 -4.91 119.30 115.61 3ily s MET 1 Ca 0.00 1.32 -0.05 0.00 -1.71 0.00 0.00 55.69 55.25 3ily s MET 1 Cb 0.00 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 3ily s MET 1 CO 0.00 -0.25 -0.01 0.15 -0.01 0.00 0.00 175.02 174.90 3ily s LYS 2 N 1.79 3.52 -0.08 2.03 1.02 -1.26 -1.26 119.74 125.50 3ily s LYS 2 Ca 0.47 -0.56 0.05 0.00 0.02 0.00 0.00 55.97 55.95 3ily s LYS 2 Cb -0.18 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3ily s LYS 2 CO 0.19 -0.09 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.78 3ily s LEU 3 N 1.24 2.06 -0.10 3.17 1.43 -0.28 0.49 118.68 126.70 3ily s LEU 3 Ca 0.03 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3ily s LEU 3 Cb -0.15 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.72 3ily s LEU 3 CO 0.00 0.18 -0.18 -0.22 0.23 0.00 0.00 176.35 176.36 3ily s LEU 4 N 0.18 1.88 -0.11 1.79 2.96 -0.64 -0.57 118.68 124.18 3ily s LEU 4 Ca -0.13 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.28 3ily s LEU 4 Cb -0.16 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3ily s LEU 4 CO 0.07 0.08 0.01 -0.36 -1.32 0.00 0.00 176.35 174.82 3ily s PHE 5 N 0.68 3.16 -0.43 5.38 0.08 -0.27 -0.90 117.98 125.68 3ily s PHE 5 Ca -0.13 0.12 0.10 0.00 0.12 0.00 0.00 56.93 57.14 3ily s PHE 5 Cb -0.16 -1.85 0.39 0.00 -0.57 0.00 0.00 43.02 40.83 3ily s PHE 5 CO 0.03 0.37 0.94 0.28 -0.10 0.00 0.00 175.22 176.73 3ily n VAL 6 N 2.50 1.63 0.00 -0.44 0.31 -0.60 -1.93 118.33 119.80 3ily n VAL 6 Ca -0.18 -4.59 0.00 0.00 -0.01 0.00 0.00 64.34 59.55 3ily n VAL 6 Cb 0.53 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3ily n VAL 6 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ily n ARG 13 N -0.14 0.00 0.11 5.55 1.74 -1.26 -3.16 116.66 119.50 3ily n ARG 13 Ca 0.27 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.32 3ily n ARG 13 Cb 0.62 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.14 3ily n ARG 13 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ily h SER 14 N 0.00 0.00 -0.29 0.55 4.64 -1.95 -1.30 113.55 115.20 3ily h SER 14 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3ily h SER 14 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ily h SER 14 CO 0.00 0.73 0.08 -0.65 -0.87 0.00 0.00 176.83 176.12 3ily h PRO 15 N 0.00 0.54 -0.28 4.77 0.11 -1.94 -1.70 132.00 133.50 3ily h PRO 15 Ca -0.01 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 3ily h PRO 15 Cb 1.34 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ily h PRO 15 CO 0.09 0.50 -0.07 0.00 -0.21 0.00 0.00 178.00 178.32 3ily h ALA 16 N 1.57 0.38 -0.24 -0.75 0.00 -1.86 -1.61 119.26 116.75 3ily h ALA 16 Ca 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ily h ALA 16 Cb 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ily h ALA 16 CO -0.00 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 3ily h ALA 17 N 0.77 0.15 -0.10 0.00 0.00 -1.05 0.08 119.26 119.11 3ily h ALA 17 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ily h ALA 17 Cb 0.55 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3ily h ALA 17 CO 0.03 -0.48 -0.06 1.49 0.00 0.00 0.00 179.25 180.23 3ily h GLU 18 N -0.01 -0.05 -0.68 0.00 4.81 -1.29 0.60 114.58 117.96 3ily h GLU 18 Ca 0.11 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3ily h GLU 18 Cb 0.18 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3ily h GLU 18 CO -0.25 -0.03 0.33 0.00 -0.73 0.00 0.00 179.01 178.33 3ily h ALA 19 N 1.04 0.93 -0.19 2.92 0.00 -0.95 -1.27 119.26 121.74 3ily h ALA 19 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ily h ALA 19 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ily h ALA 19 CO -0.14 -0.07 -0.22 0.28 0.00 0.00 0.00 179.25 179.11 3ily h VAL 20 N 0.57 1.33 -0.74 0.00 2.07 -0.66 -2.81 116.25 116.02 3ily h VAL 20 Ca 0.33 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3ily h VAL 20 Cb 0.35 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3ily h VAL 20 CO -0.26 0.42 0.33 -0.03 0.02 0.00 0.00 177.57 178.05 3ily h MET 21 N 0.15 1.08 -0.28 1.57 -1.53 -0.51 -0.89 114.93 114.53 3ily h MET 21 Ca 0.03 -0.17 0.04 0.00 -3.44 0.00 0.00 59.70 56.15 3ily h MET 21 Cb 0.77 -0.19 -0.04 0.00 -0.55 0.00 0.00 31.60 31.60 3ily h MET 21 CO 0.05 0.86 0.05 0.87 0.14 0.00 0.00 176.91 178.88 3ily h LYS 22 N 1.04 0.14 -0.66 0.39 1.57 -1.24 -0.17 116.57 117.65 3ily h LYS 22 Ca 0.25 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3ily h LYS 22 Cb 0.16 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3ily h LYS 22 CO -0.03 0.09 0.36 -0.22 -0.57 0.00 0.00 179.45 179.08 3ily h LYS 23 N 0.15 0.92 -0.69 3.15 1.63 -1.20 -1.73 116.57 118.81 3ily h LYS 23 Ca 0.13 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3ily h LYS 23 Cb 0.14 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3ily h LYS 23 CO -0.18 0.70 0.42 0.28 -3.45 0.00 0.00 179.45 177.22 3ily h VAL 24 N 0.90 1.20 -0.44 2.00 2.07 -0.78 0.86 116.25 122.06 3ily h VAL 24 Ca 0.23 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3ily h VAL 24 Cb 0.05 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3ily h VAL 24 CO -0.04 0.20 0.06 0.40 0.02 0.00 0.00 177.57 178.21 3ily h ILE 25 N 0.93 1.21 0.06 4.57 2.04 -0.90 -2.59 117.51 122.83 3ily h ILE 25 Ca 0.25 -0.81 -0.25 0.00 1.00 0.00 0.00 64.86 65.04 3ily h ILE 25 Cb -0.04 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3ily h ILE 25 CO -0.05 0.29 -1.07 -0.61 0.00 0.00 0.00 178.15 176.71 3ily h GLN 26 N 0.66 0.39 -0.64 2.37 4.15 -0.99 0.33 115.11 121.37 3ily h GLN 26 Ca 0.14 -0.49 0.12 0.00 0.77 0.00 0.00 58.65 59.19 3ily h GLN 26 Cb 0.32 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 3ily h GLN 26 CO 0.01 1.17 0.17 -0.91 -1.93 0.00 0.00 178.83 177.34 3ily h ASN 27 N 0.18 0.07 -0.15 -0.69 2.35 -0.63 -0.62 115.58 116.09 3ily h ASN 27 Ca -0.11 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ily h ASN 27 Cb 1.74 0.14 0.00 0.00 0.05 0.00 0.00 38.32 40.25 3ily h ASN 27 CO 0.18 0.03 0.00 1.41 -1.65 0.00 0.00 177.43 177.41 3ily n HIS 28 N -5.10 0.19 -3.96 1.19 8.25 -0.99 -4.91 115.22 109.89 3ily n HIS 28 Ca 0.10 -0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3ily n HIS 28 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 3ily n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ily n HIS 29 N -0.08 -1.81 -1.06 4.41 8.25 -0.24 -4.90 115.22 119.80 3ily n HIS 29 Ca 0.08 0.80 0.08 0.00 -0.26 0.00 0.00 57.72 58.41 3ily n HIS 29 Cb 0.15 -3.74 0.23 0.00 1.12 0.00 0.00 29.99 27.75 3ily n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ily n LEU 30 N -4.42 3.55 0.15 2.41 4.77 0.11 -4.78 117.00 118.79 3ily n LEU 30 Ca -0.18 -3.11 0.01 0.00 -0.03 0.00 0.00 56.01 52.70 3ily n LEU 30 Cb 0.62 -0.53 0.32 0.00 -2.33 0.00 0.00 43.42 41.51 3ily n LEU 30 CO 0.76 0.74 0.71 0.74 -1.33 0.00 0.00 177.39 179.01 3ily h THR 31 N 1.32 1.28 -0.68 -5.08 2.02 -1.86 0.43 112.91 110.34 3ily h THR 31 Ca 0.02 -1.32 0.11 0.00 0.77 0.00 0.00 66.41 65.99 3ily h THR 31 Cb 1.36 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 3ily h THR 31 CO 0.19 0.38 0.46 -0.33 0.37 0.00 0.00 175.52 176.58 3ily h GLU 32 N 0.07 0.47 0.00 6.66 5.08 -1.94 -3.29 114.58 121.63 3ily h GLU 32 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ily h GLU 32 Cb 0.68 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3ily h GLU 32 CO 0.05 0.31 -1.20 1.63 -1.00 0.00 0.00 179.01 178.80 3ily n LYS 33 N -4.48 0.48 -4.06 2.33 5.02 0.15 -4.76 118.16 112.84 3ily n LYS 33 Ca 0.12 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3ily n LYS 33 Cb 0.40 -1.67 -0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3ily n LYS 33 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ily s TYR 34 N -3.32 0.85 -0.08 2.13 2.02 -0.96 -0.45 117.35 117.54 3ily s TYR 34 Ca -0.00 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3ily s TYR 34 Cb 0.12 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3ily s TYR 34 CO 0.82 -0.27 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.88 3ily s ILE 35 N 1.26 2.97 0.15 2.71 2.07 -0.39 -4.75 121.20 125.22 3ily s ILE 35 Ca -0.05 -0.73 0.07 0.00 -1.41 0.00 0.00 60.65 58.52 3ily s ILE 35 Cb -0.14 -2.19 -0.04 0.00 0.13 0.00 0.00 42.46 40.23 3ily s ILE 35 CO -0.02 0.57 -0.01 0.00 -1.91 0.00 0.00 174.94 173.57 3ily s ASP 37 N -2.75 -0.07 0.15 0.00 2.15 0.27 -4.93 116.67 111.49 3ily s ASP 37 Ca 0.27 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 52.68 3ily s ASP 37 Cb -0.10 0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 42.93 3ily s ASP 37 CO 0.18 -0.89 -0.12 -0.94 -0.17 0.00 0.00 175.17 173.24 3ily s SER 38 N -2.89 1.98 0.06 -0.34 1.04 -1.26 -1.12 113.70 111.17 3ily s SER 38 Ca 0.10 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.28 3ily s SER 38 Cb 0.02 -0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.18 3ily s SER 38 CO -0.06 -0.27 0.72 0.00 0.98 0.00 0.00 173.24 174.62 3ily s ALA 39 N -3.06 -1.72 0.37 5.32 0.00 -0.81 -4.59 121.76 117.28 3ily s ALA 39 Ca 0.17 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 3ily s ALA 39 Cb 0.01 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.54 3ily s ALA 39 CO 0.02 -0.65 0.77 0.20 0.00 0.00 0.00 175.76 176.11 3ily s GLY 40 N -2.30 2.15 0.00 0.00 0.00 0.29 -4.19 107.32 103.27 3ily s GLY 40 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3ily s GLY 40 CO -0.07 0.16 0.00 1.34 0.00 0.00 0.00 173.10 174.53 3ily n ASP 51 N -0.86 0.00 0.17 1.64 2.03 -1.26 -3.93 116.55 114.34 3ily n ASP 51 Ca 0.03 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.48 3ily n ASP 51 Cb 0.54 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.63 3ily n ASP 51 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ily h SER 52 N 0.00 0.00 0.00 1.67 4.64 -2.00 -0.64 113.55 117.22 3ily h SER 52 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ily h SER 52 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ily h SER 52 CO 0.00 0.00 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.87 3ily h ARG 53 N 0.00 -0.01 -0.90 4.77 9.65 -2.04 -2.83 114.38 123.04 3ily h ARG 53 Ca 0.10 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.21 3ily h ARG 53 Cb 0.41 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.86 3ily h ARG 53 CO -0.00 0.83 0.37 1.98 2.80 0.00 0.00 179.97 185.94 3ily h MET 54 N -0.98 0.34 -0.96 0.20 4.05 -1.96 -0.99 114.93 114.63 3ily h MET 54 Ca -0.00 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3ily h MET 54 Cb 0.83 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.51 3ily h MET 54 CO 0.00 0.22 0.62 0.00 0.23 0.00 0.00 176.91 177.99 3ily h ARG 55 N 0.35 1.28 0.03 0.39 3.08 -1.13 -0.39 114.38 117.98 3ily h ARG 55 Ca 0.57 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 3ily h ARG 55 Cb 1.11 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3ily h ARG 55 CO -0.56 0.86 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.96 3ily h LYS 56 N 1.31 -0.04 -0.12 0.04 3.64 -0.97 -0.95 116.57 119.48 3ily h LYS 56 Ca 0.35 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3ily h LYS 56 Cb -0.13 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3ily h LYS 56 CO -0.07 0.48 -0.07 0.28 -2.27 0.00 0.00 179.45 177.79 3ily h VAL 57 N -0.58 0.78 -0.55 2.00 2.07 -1.14 -0.94 116.25 117.88 3ily h VAL 57 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3ily h VAL 57 Cb 0.53 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3ily h VAL 57 CO 0.01 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.70 3ily h GLY 58 N -0.07 0.41 0.97 2.17 0.00 -1.11 -1.75 103.07 103.69 3ily h GLY 58 Ca 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ily h GLY 58 CO -0.17 -0.21 0.22 0.07 0.00 0.00 0.00 176.54 176.45 3ily h LYS 59 N 0.01 0.53 -0.10 4.80 2.10 -0.71 0.28 116.57 123.48 3ily h LYS 59 Ca 0.27 -0.06 0.03 0.00 -2.00 0.00 0.00 60.65 58.89 3ily h LYS 59 Cb 0.41 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3ily h LYS 59 CO -0.56 0.43 0.15 0.66 -2.00 0.00 0.00 179.45 178.13 3ily h SER 60 N 0.49 0.00 -0.49 7.07 4.64 -0.31 0.33 113.55 125.28 3ily h SER 60 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ily h SER 60 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ily h SER 60 CO -0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.48 3ily n ARG 61 N -3.54 2.94 -0.75 4.77 1.74 -0.39 -4.95 116.66 116.48 3ily n ARG 61 Ca -0.00 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.68 3ily n ARG 61 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3ily n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ily n GLY 62 N 0.84 0.83 3.43 -0.13 0.00 0.12 -5.06 105.19 105.22 3ily n GLY 62 Ca 0.18 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3ily n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ily s TYR 63 N -2.00 2.64 -0.57 1.61 2.02 0.86 -4.98 117.35 116.93 3ily s TYR 63 Ca 0.00 -0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.35 3ily s TYR 63 Cb 0.00 -1.62 0.15 0.00 -0.40 0.00 0.00 41.96 40.08 3ily s TYR 63 CO 0.00 0.11 0.45 1.14 -1.57 0.00 0.00 175.55 175.68 3ily s GLN 64 N -0.62 2.72 -0.61 -0.62 -2.07 -1.26 -2.37 119.66 114.83 3ily s GLN 64 Ca 0.09 -2.04 -0.21 0.00 -1.82 0.00 0.00 55.36 51.38 3ily s GLN 64 Cb -0.11 -3.99 0.08 0.00 -1.09 0.00 0.00 33.01 27.90 3ily s GLN 64 CO 0.01 -1.21 0.82 0.08 -1.32 0.00 0.00 175.29 173.66 3ily s VAL 65 N 0.87 4.60 0.00 3.63 1.01 -1.26 -4.66 120.40 124.58 3ily s VAL 65 Ca 0.10 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3ily s VAL 65 Cb -0.22 -4.56 0.12 0.00 0.00 0.00 0.00 36.38 31.71 3ily s VAL 65 CO -0.03 -1.24 0.98 -0.90 0.00 0.00 0.00 175.10 173.91 3ily n ASP 66 N 6.95 0.21 -4.83 3.32 5.68 -1.26 -4.82 116.55 121.79 3ily n ASP 66 Ca -0.06 -1.87 -0.34 0.00 -0.50 0.00 0.00 54.79 52.01 3ily n ASP 66 Cb 0.44 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 3ily n ASP 66 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ily s SER 67 N -1.14 6.94 -0.26 -1.12 1.04 -1.26 -5.06 113.70 112.84 3ily s SER 67 Ca 0.09 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.81 3ily s SER 67 Cb 0.11 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3ily s SER 67 CO -0.05 -0.08 0.13 -0.63 0.98 0.00 0.00 173.24 173.60 3ily s ILE 68 N -1.74 4.90 -0.77 -1.02 1.01 -1.26 -5.00 121.20 117.32 3ily s ILE 68 Ca 0.48 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 3ily s ILE 68 Cb -0.14 -3.31 -0.17 0.00 0.01 0.00 0.00 42.46 38.86 3ily s ILE 68 CO 0.19 0.31 2.40 -0.24 0.00 0.00 0.00 174.94 177.60 3ily n SER 69 N 4.82 1.21 -4.95 3.58 2.88 -1.26 -4.94 113.62 114.95 3ily n SER 69 Ca -0.15 -0.94 -0.23 0.00 -1.33 0.00 0.00 58.87 56.22 3ily n SER 69 Cb 0.52 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.62 3ily n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ily s ARG 70 N 8.44 2.93 0.09 -1.46 1.70 -1.26 -4.91 118.95 124.48 3ily s ARG 70 Ca 1.05 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 3ily s ARG 70 Cb -0.37 -2.51 -0.04 0.00 -0.57 0.00 0.00 34.95 31.46 3ily s ARG 70 CO 0.25 -0.42 0.24 -1.25 -1.08 0.00 0.00 175.30 173.03 3ily s PRO 71 N -4.66 3.43 0.16 3.89 0.04 -1.26 0.10 135.00 136.71 3ily s PRO 71 Ca 0.51 -0.50 -0.31 0.00 0.04 0.00 0.00 61.00 60.73 3ily s PRO 71 Cb -0.10 -3.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3ily s PRO 71 CO 0.39 0.58 1.64 0.08 0.04 0.00 0.00 177.00 179.73 3ily s VAL 72 N -1.60 2.53 0.36 -0.36 1.01 -1.25 -4.65 120.40 116.44 3ily s VAL 72 Ca 0.35 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.73 3ily s VAL 72 Cb -0.12 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3ily s VAL 72 CO 0.28 0.02 -0.06 0.68 0.00 0.00 0.00 175.10 176.02 3ily s VAL 73 N 1.51 2.22 0.32 2.92 -7.23 -1.26 -5.00 120.40 113.89 3ily s VAL 73 Ca 0.73 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3ily s VAL 73 Cb -0.45 -2.74 0.28 0.00 0.56 0.00 0.00 36.38 34.04 3ily s VAL 73 CO 0.32 -0.16 1.93 0.77 -0.31 0.00 0.00 175.10 177.65 3ily h SER 74 N 1.94 0.83 0.15 4.85 4.64 -1.97 -1.70 113.55 122.29 3ily h SER 74 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3ily h SER 74 Cb 1.25 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3ily h SER 74 CO 0.72 0.54 -0.05 0.77 -0.87 0.00 0.00 176.83 177.94 3ily h SER 75 N 0.94 0.00 -0.49 4.97 4.64 -2.01 -1.48 113.55 120.13 3ily h SER 75 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3ily h SER 75 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3ily h SER 75 CO -0.13 0.05 0.30 0.44 -0.87 0.00 0.00 176.83 176.62 3ily h ASP 76 N 0.00 0.60 0.29 4.97 3.32 -1.72 0.87 116.42 124.75 3ily h ASP 76 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3ily h ASP 76 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ily h ASP 76 CO 0.01 0.47 -0.21 -0.26 -1.72 0.00 0.00 179.24 177.53 3ily h PHE 77 N 0.69 0.00 0.12 4.55 0.04 -1.41 -2.41 116.94 118.52 3ily h PHE 77 Ca 0.18 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.72 3ily h PHE 77 Cb -0.02 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.14 3ily h PHE 77 CO 0.00 0.21 -1.13 -0.22 -0.60 0.00 0.00 178.31 176.57 3ily h LYS 78 N 0.00 0.25 0.00 1.51 3.64 -1.45 -3.41 116.57 117.11 3ily h LYS 78 Ca -0.00 -0.43 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 3ily h LYS 78 Cb 0.41 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3ily h LYS 78 CO 0.03 1.20 -0.65 -0.91 -2.27 0.00 0.00 179.45 176.85 3ily h ASN 79 N -0.38 0.00 -3.18 4.20 2.35 -0.74 -3.46 115.58 114.37 3ily h ASN 79 Ca -0.23 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.94 3ily h ASN 79 Cb 1.68 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.01 3ily h ASN 79 CO 0.08 0.47 -0.30 -0.36 -1.65 0.00 0.00 177.43 175.67 3ily s PHE 80 N -2.98 3.47 -0.03 1.19 0.40 -0.92 -4.88 117.98 114.22 3ily s PHE 80 Ca 0.03 0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 56.87 3ily s PHE 80 Cb 0.08 -2.02 -0.29 0.00 0.51 0.00 0.00 43.02 41.30 3ily s PHE 80 CO 0.75 0.42 0.73 -0.44 0.70 0.00 0.00 175.22 177.38 3ily h ASP 81 N 2.78 0.49 -4.87 1.36 3.32 -0.29 -3.47 116.42 115.74 3ily h ASP 81 Ca -0.46 -0.74 -0.21 0.00 0.02 0.00 0.00 57.03 55.64 3ily h ASP 81 Cb 1.17 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 3ily h ASP 81 CO 0.72 1.62 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.85 3ily s TYR 82 N -2.59 0.61 -0.04 4.55 2.02 -0.95 -4.70 117.35 116.24 3ily s TYR 82 Ca -0.13 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 3ily s TYR 82 Cb 0.06 -0.38 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 3ily s TYR 82 CO 0.85 -0.18 -0.01 0.42 -1.57 0.00 0.00 175.55 175.05 3ily s ILE 83 N -2.48 0.30 -0.17 2.71 1.01 0.58 -1.61 121.20 121.55 3ily s ILE 83 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3ily s ILE 83 Cb -0.02 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.07 3ily s ILE 83 CO -0.03 0.19 -0.19 -0.36 0.00 0.00 0.00 174.94 174.54 3ily s PHE 84 N 1.16 2.64 0.09 3.97 0.08 -0.08 -0.54 117.98 125.30 3ily s PHE 84 Ca -0.08 -1.51 -0.15 0.00 0.12 0.00 0.00 56.93 55.31 3ily s PHE 84 Cb -0.14 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3ily s PHE 84 CO -0.02 -0.75 0.51 0.00 -0.10 0.00 0.00 175.22 174.87 3ily s ALA 85 N 1.24 3.62 -0.01 5.36 0.00 0.23 -1.55 121.76 130.64 3ily s ALA 85 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 51.96 51.97 3ily s ALA 85 Cb -0.13 -2.49 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 3ily s ALA 85 CO -0.11 0.46 1.10 0.52 0.00 0.00 0.00 175.76 177.73 3ily h MET 86 N 4.04 0.00 0.00 0.00 0.00 -1.87 0.56 114.93 117.66 3ily h MET 86 Ca -0.49 0.00 -0.49 0.00 0.00 0.00 0.00 59.70 58.71 3ily h MET 86 Cb 1.20 0.00 -0.13 0.00 0.00 0.00 0.00 31.60 32.67 3ily h MET 86 CO 0.64 0.67 -0.48 -0.40 0.00 0.00 0.00 176.91 177.34 3ily n ASP 87 N -3.18 -0.58 -0.04 1.22 5.68 -1.26 -1.34 116.55 117.05 3ily n ASP 87 Ca -0.05 -3.24 -0.11 0.00 -0.50 0.00 0.00 54.79 50.89 3ily n ASP 87 Cb 0.91 1.67 0.03 0.00 -1.14 0.00 0.00 41.12 42.58 3ily n ASP 87 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3ily h ASN 88 N 2.06 0.78 -0.52 -1.12 2.35 -1.92 -2.16 115.58 115.05 3ily h ASN 88 Ca -0.25 -0.39 -0.06 0.00 -0.55 0.00 0.00 56.30 55.06 3ily h ASN 88 Cb 1.23 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 3ily h ASN 88 CO 0.36 1.13 0.09 -0.78 -1.65 0.00 0.00 177.43 176.58 3ily h ASP 89 N 0.56 0.82 -0.67 5.81 3.58 -2.00 -2.28 116.42 122.25 3ily h ASP 89 Ca 0.03 -0.26 0.07 0.00 0.42 0.00 0.00 57.03 57.29 3ily h ASP 89 Cb 1.04 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.81 3ily h ASP 89 CO 0.10 0.87 0.35 0.78 -2.88 0.00 0.00 179.24 178.46 3ily h ASN 90 N 0.74 0.49 0.02 2.28 -0.26 -1.95 -1.94 115.58 114.96 3ily h ASN 90 Ca 0.16 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.95 3ily h ASN 90 Cb 0.39 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 3ily h ASN 90 CO 0.01 0.31 -0.06 0.22 -1.06 0.00 0.00 177.43 176.85 3ily h TYR 91 N 0.63 -0.15 -0.05 1.19 3.20 -1.02 0.17 116.97 120.95 3ily h TYR 91 Ca 0.31 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.03 3ily h TYR 91 Cb 0.26 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ily h TYR 91 CO -0.09 -0.09 -0.67 1.88 -1.64 0.00 0.00 178.16 177.55 3ily h TYR 92 N -0.11 0.29 -0.68 -3.82 0.05 -1.38 -2.32 116.97 109.00 3ily h TYR 92 Ca 0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 3ily h TYR 92 Cb 0.13 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3ily h TYR 92 CO -0.12 0.81 0.36 1.49 -1.05 0.00 0.00 178.16 179.66 3ily h GLU 93 N 0.15 0.95 -0.53 4.88 4.57 -1.07 0.16 114.58 123.69 3ily h GLU 93 Ca -0.01 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3ily h GLU 93 Cb 1.20 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 3ily h GLU 93 CO 0.10 0.72 0.17 -0.07 -1.18 0.00 0.00 179.01 178.75 3ily h LEU 94 N 0.93 0.77 -0.83 1.64 3.38 -0.50 -2.79 115.31 117.91 3ily h LEU 94 Ca 0.24 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3ily h LEU 94 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3ily h LEU 94 CO -0.04 0.77 -0.01 -0.07 0.09 0.00 0.00 178.44 179.18 3ily h LEU 95 N 0.73 0.84 -0.55 1.67 3.38 -1.11 0.46 115.31 120.73 3ily h LEU 95 Ca 0.17 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ily h LEU 95 Cb 0.27 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3ily h LEU 95 CO -0.01 0.91 0.21 -0.78 0.09 0.00 0.00 178.44 178.86 3ily h ASP 96 N 0.81 0.23 0.13 -0.43 3.58 -0.80 -2.75 116.42 117.18 3ily h ASP 96 Ca 0.15 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3ily h ASP 96 Cb 0.49 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.58 3ily h ASP 96 CO 0.02 0.15 -0.39 -2.11 -2.88 0.00 0.00 179.24 174.03 3ily n ARG 97 N -4.98 0.94 -2.59 0.28 1.85 -1.02 -4.91 116.66 106.22 3ily n ARG 97 Ca 0.07 -0.67 -0.42 0.00 -1.00 0.00 0.00 57.85 55.82 3ily n ARG 97 Cb 0.22 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.12 3ily n ARG 97 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ily n PRO 99 N 4.31 0.96 -0.37 0.00 -0.02 -1.26 -4.84 135.00 133.78 3ily n PRO 99 Ca 0.08 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 3ily n PRO 99 Cb 0.49 -1.90 0.15 0.00 -0.02 0.00 0.00 33.50 32.22 3ily n PRO 99 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ily h GLU 100 N 0.96 1.19 0.00 -0.52 4.57 -1.95 -2.29 114.58 116.54 3ily h GLU 100 Ca -0.45 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3ily h GLU 100 Cb 1.37 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3ily h GLU 100 CO 0.53 0.78 -0.02 -0.56 -1.18 0.00 0.00 179.01 178.57 3ily h GLN 101 N 1.22 0.00 -0.02 1.92 3.07 -2.02 -3.07 115.11 116.21 3ily h GLN 101 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.14 3ily h GLN 101 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 3ily h GLN 101 CO -0.14 0.02 -0.32 0.66 0.09 0.00 0.00 178.83 179.14 3ily n TYR 102 N -3.15 0.00 0.27 0.06 4.01 -0.86 -4.68 117.16 112.80 3ily n TYR 102 Ca -0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.91 3ily n TYR 102 Cb 0.22 0.00 0.93 0.00 -0.31 0.00 0.00 39.34 40.18 3ily n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3ily h LYS 103 N 2.61 0.00 -0.00 -0.72 1.57 -1.53 -1.15 116.57 117.35 3ily h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ily h LYS 103 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3ily h LYS 103 CO 0.00 0.00 -0.05 1.04 -0.57 0.00 0.00 179.45 179.87 3ily n GLN 104 N -3.53 0.63 0.14 3.15 1.13 -1.26 -2.90 117.38 114.74 3ily n GLN 104 Ca -0.01 -0.12 0.13 0.00 -1.94 0.00 0.00 57.00 55.06 3ily n GLN 104 Cb 0.24 -1.50 0.47 0.00 0.11 0.00 0.00 30.24 29.56 3ily n GLN 104 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3ily h LYS 105 N 0.29 0.00 -5.42 -1.09 1.57 -1.48 -3.45 116.57 106.99 3ily h LYS 105 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3ily h LYS 105 Cb 0.29 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.48 3ily h LYS 105 CO 0.00 0.00 -0.16 0.42 -0.57 0.00 0.00 179.45 179.14 3ily s ILE 106 N -3.28 5.17 0.08 1.86 1.01 -1.14 -0.30 121.20 124.60 3ily s ILE 106 Ca 0.06 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.50 3ily s ILE 106 Cb 0.10 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3ily s ILE 106 CO 0.48 0.21 -0.08 -0.36 0.00 0.00 0.00 174.94 175.20 3ily s PHE 107 N 1.52 0.90 -0.06 3.97 0.08 0.30 -4.98 117.98 119.71 3ily s PHE 107 Ca 0.20 -0.71 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 3ily s PHE 107 Cb -0.15 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 3ily s PHE 107 CO 0.09 -0.07 0.73 0.15 -0.10 0.00 0.00 175.22 176.01 3ily s LYS 108 N -2.85 4.45 0.19 0.44 1.02 -1.26 -0.60 119.74 121.13 3ily s LYS 108 Ca 0.04 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 56.84 3ily s LYS 108 Cb -0.02 -3.45 0.20 0.00 -0.52 0.00 0.00 37.83 34.04 3ily s LYS 108 CO -0.02 0.06 1.71 1.98 -0.92 0.00 0.00 175.35 178.16 3ily h MET 109 N 6.74 0.21 0.00 1.68 1.85 -1.19 -2.49 114.93 121.72 3ily h MET 109 Ca -0.41 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 3ily h MET 109 Cb 1.20 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.18 3ily h MET 109 CO 0.75 0.14 0.00 -0.39 -0.40 0.00 0.00 176.91 177.01 3ily h VAL 110 N 0.22 0.00 0.00 -5.77 -1.51 -1.88 -1.29 116.25 106.02 3ily h VAL 110 Ca 0.25 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 3ily h VAL 110 Cb 0.35 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3ily h VAL 110 CO -0.34 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.47 3ily n ASP 111 N -2.33 0.00 -0.30 4.19 8.00 -0.94 -1.67 116.55 123.50 3ily n ASP 111 Ca 0.01 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.07 3ily n ASP 111 Cb 0.21 -0.47 0.12 0.00 -0.02 0.00 0.00 41.12 40.96 3ily n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ily n PHE 112 N -1.47 0.00 -2.00 1.24 3.72 -0.49 -4.96 117.46 113.51 3ily n PHE 112 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 3ily n PHE 112 Cb 0.12 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 3ily n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ily n THR 114 N 1.21 0.41 0.00 0.00 -2.24 -1.26 -4.90 114.28 107.51 3ily n THR 114 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3ily n THR 114 Cb 0.41 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 3ily n THR 114 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ily n THR 115 N -3.00 0.00 -1.70 4.28 -2.24 -1.26 -4.88 114.28 105.47 3ily n THR 115 Ca -0.14 0.00 -0.60 0.00 -2.27 0.00 0.00 64.05 61.04 3ily n THR 115 Cb 0.62 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 3ily n THR 115 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ily n ILE 116 N -0.15 0.17 -2.92 2.28 5.41 -1.26 -4.85 119.36 118.03 3ily n ILE 116 Ca 0.00 -0.03 -0.44 0.00 1.00 0.00 0.00 62.75 63.28 3ily n ILE 116 Cb 0.00 -0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.99 3ily n ILE 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3ily s LYS 117 N 2.92 3.41 -0.00 0.38 0.00 -1.26 -4.89 119.74 120.30 3ily s LYS 117 Ca 0.99 -1.45 -0.18 0.00 0.00 0.00 0.00 55.97 55.33 3ily s LYS 117 Cb -1.20 -4.66 0.03 0.00 0.00 0.00 0.00 37.83 32.01 3ily s LYS 117 CO 0.68 -1.77 0.38 -0.08 0.00 0.00 0.00 175.35 174.57 3ily s THR 118 N 3.09 0.05 -0.18 3.79 -1.32 -1.26 -5.09 115.64 114.72 3ily s THR 118 Ca 0.28 -0.42 0.05 0.00 -1.21 0.00 0.00 61.69 60.39 3ily s THR 118 Cb -0.10 -0.77 -0.06 0.00 -1.51 0.00 0.00 72.50 70.05 3ily s THR 118 CO -0.02 -0.23 0.19 0.35 -2.21 0.00 0.00 174.62 172.70 3ily n THR 119 N 1.00 0.00 -3.61 5.08 -2.24 -1.26 -4.93 114.28 108.31 3ily n THR 119 Ca -0.20 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 3ily n THR 119 Cb 0.57 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 3ily n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ily s GLU 120 N -1.73 0.92 -0.06 -0.78 2.02 -1.26 -4.74 118.70 113.07 3ily s GLU 120 Ca 0.01 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 3ily s GLU 120 Cb 0.04 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.66 3ily s GLU 120 CO 0.22 -0.29 1.26 0.08 0.02 0.00 0.00 175.26 176.55 3ily s VAL 121 N -1.47 4.13 0.48 2.63 1.01 -0.45 -5.01 120.40 121.73 3ily s VAL 121 Ca -0.11 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 3ily s VAL 121 Cb -0.02 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3ily s VAL 121 CO 0.06 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.05 3ily s PRO 122 N 2.43 3.78 0.09 2.72 0.04 -1.26 -4.75 135.00 138.05 3ily s PRO 122 Ca 0.58 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 3ily s PRO 122 Cb -0.26 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 3ily s PRO 122 CO 0.22 -0.47 1.33 0.34 0.04 0.00 0.00 177.00 178.46 3ily s ASP 123 N -1.83 6.91 0.00 6.66 2.15 -1.26 -4.88 116.67 124.42 3ily s ASP 123 Ca 0.66 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.85 3ily s ASP 123 Cb -0.19 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 3ily s ASP 123 CO 0.23 -0.60 0.06 -0.81 -0.17 0.00 0.00 175.17 173.89 3ily n PRO 124 N 4.03 0.00 -4.02 4.34 -0.04 -1.26 -5.05 135.00 133.00 3ily n PRO 124 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3ily n PRO 124 Cb 0.44 -1.08 -0.15 0.00 -0.04 0.00 0.00 33.50 32.67 3ily n PRO 124 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ily s TYR 125 N -1.44 3.31 0.00 0.54 2.02 -1.26 -4.45 117.35 116.07 3ily s TYR 125 Ca 0.00 -2.26 0.00 0.00 -0.37 0.00 0.00 57.07 54.44 3ily s TYR 125 Cb 0.00 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3ily s TYR 125 CO 0.00 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.52 3ily n GLY 128 N 4.47 1.12 0.07 0.71 0.00 -1.26 -5.17 105.19 105.13 3ily n GLY 128 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3ily n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ily h GLU 129 N 0.00 0.00 0.00 1.61 5.08 -2.04 -3.21 114.58 116.02 3ily h GLU 129 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3ily h GLU 129 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ily h GLU 129 CO 0.00 0.00 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.60 3ily h LYS 130 N 0.00 0.00 -0.84 2.33 1.63 -2.01 -3.07 116.57 114.61 3ily h LYS 130 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3ily h LYS 130 Cb 0.77 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.35 3ily h LYS 130 CO 0.00 0.19 0.55 0.78 -3.45 0.00 0.00 179.45 177.52 3ily h GLY 131 N 0.78 1.19 0.95 5.01 0.00 -1.77 -0.70 103.07 108.54 3ily h GLY 131 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3ily h GLY 131 CO 0.02 0.36 0.16 0.74 0.00 0.00 0.00 176.54 177.83 3ily h PHE 132 N 1.04 0.68 -0.77 5.60 0.04 -1.74 -2.37 116.94 119.41 3ily h PHE 132 Ca 0.33 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 61.06 3ily h PHE 132 Cb 0.03 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 3ily h PHE 132 CO -0.00 0.59 0.51 0.45 -0.60 0.00 0.00 178.31 179.27 3ily h HIS 133 N 0.57 0.97 -0.37 -0.55 3.86 -1.51 -2.40 115.15 115.73 3ily h HIS 133 Ca 0.14 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3ily h HIS 133 Cb 0.21 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3ily h HIS 133 CO 0.00 0.61 0.07 0.00 0.86 0.00 0.00 177.93 179.48 3ily h ARG 134 N 1.05 0.54 0.05 2.45 -0.00 -1.09 0.24 114.38 117.62 3ily h ARG 134 Ca 0.28 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 3ily h ARG 134 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.76 3ily h ARG 134 CO -0.06 0.51 -0.03 0.28 0.00 0.00 0.00 179.97 180.68 3ily h VAL 135 N 0.53 1.16 -0.67 2.04 2.07 -1.25 -0.79 116.25 119.34 3ily h VAL 135 Ca 0.12 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3ily h VAL 135 Cb 0.23 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3ily h VAL 135 CO -0.00 0.18 0.30 0.40 0.02 0.00 0.00 177.57 178.47 3ily h ILE 136 N -0.39 1.22 0.03 4.57 2.04 -1.03 0.13 117.51 124.10 3ily h ILE 136 Ca -0.01 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ily h ILE 136 Cb 0.35 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3ily h ILE 136 CO 0.01 0.27 -0.19 0.44 0.00 0.00 0.00 178.15 178.68 3ily h ASP 137 N 0.96 -0.55 -0.60 1.72 3.32 -0.40 0.74 116.42 121.61 3ily h ASP 137 Ca 0.23 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.40 3ily h ASP 137 Cb 0.13 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3ily h ASP 137 CO -0.03 -0.26 0.34 0.40 -1.72 0.00 0.00 179.24 177.98 3ily h ILE 138 N -0.32 1.01 -0.61 0.35 2.04 -0.58 -2.38 117.51 117.01 3ily h ILE 138 Ca 0.05 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3ily h ILE 138 Cb 0.38 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ily h ILE 138 CO -0.15 0.12 0.02 -0.07 0.00 0.00 0.00 178.15 178.07 3ily h LEU 139 N 0.66 1.03 -0.40 1.44 3.38 -0.47 -1.57 115.31 119.38 3ily h LEU 139 Ca 0.26 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ily h LEU 139 Cb 0.11 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3ily h LEU 139 CO -0.14 1.06 0.11 -0.33 0.09 0.00 0.00 178.44 179.23 3ily h GLU 140 N 0.97 0.25 0.44 1.13 5.08 -0.70 0.57 114.58 122.32 3ily h GLU 140 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3ily h GLU 140 Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3ily h GLU 140 CO 0.03 0.16 -0.37 0.22 -1.00 0.00 0.00 179.01 178.05 3ily h ASP 141 N 0.25 -0.98 -0.53 1.42 3.58 -1.23 -2.13 116.42 116.79 3ily h ASP 141 Ca 0.19 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 3ily h ASP 141 Cb 0.20 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 3ily h ASP 141 CO -0.22 -0.54 0.13 0.00 -2.88 0.00 0.00 179.24 175.74 3ily h ALA 142 N -0.42 0.70 -0.29 -0.78 0.00 -1.25 -2.85 119.26 114.37 3ily h ALA 142 Ca -0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3ily h ALA 142 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ily h ALA 142 CO -0.02 0.40 -0.36 0.00 0.00 0.00 0.00 179.25 179.27 3ily h GLU 144 N 0.55 -0.14 -0.75 0.00 4.57 -1.34 -1.37 114.58 116.10 3ily h GLU 144 Ca 0.05 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3ily h GLU 144 Cb 0.87 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 3ily h GLU 144 CO 0.08 -0.09 0.28 -0.97 -1.18 0.00 0.00 179.01 177.12 3ily h ASN 145 N -0.14 1.05 -0.38 1.04 -0.73 -1.37 -2.71 115.58 112.33 3ily h ASN 145 Ca -0.01 -0.17 0.03 0.00 1.87 0.00 0.00 56.30 58.01 3ily h ASN 145 Cb 0.11 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 3ily h ASN 145 CO 0.02 0.94 0.19 0.25 -0.37 0.00 0.00 177.43 178.46 3ily h LEU 146 N 1.10 0.28 -0.71 0.34 5.85 -0.66 -0.10 115.31 121.41 3ily h LEU 146 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3ily h LEU 146 Cb 0.24 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ily h LEU 146 CO -0.02 0.21 0.46 -0.29 -0.34 0.00 0.00 178.44 178.46 3ily h ILE 147 N 0.39 1.19 -0.20 4.05 6.09 -1.04 0.19 117.51 128.18 3ily h ILE 147 Ca 0.16 -0.36 0.05 0.00 -1.37 0.00 0.00 64.86 63.35 3ily h ILE 147 Cb 0.06 0.15 -0.06 0.00 0.47 0.00 0.00 36.82 37.45 3ily h ILE 147 CO -0.11 0.18 -0.18 0.40 -3.07 0.00 0.00 178.15 175.38 3ily h ILE 148 N 0.96 0.52 -0.58 2.19 2.04 -1.17 -1.41 117.51 120.05 3ily h ILE 148 Ca 0.26 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 3ily h ILE 148 Cb -0.10 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3ily h ILE 148 CO -0.05 0.00 0.25 0.11 0.00 0.00 0.00 178.15 178.46 3ily h LYS 149 N -0.19 0.86 -0.98 2.37 1.79 -0.42 -2.08 116.57 117.91 3ily h LYS 149 Ca 0.12 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3ily h LYS 149 Cb 0.37 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 3ily h LYS 149 CO -0.32 0.72 0.65 -0.07 -1.08 0.00 0.00 179.45 179.36 3ily h LEU 150 N 0.80 1.11 -1.22 2.94 3.38 -0.14 -0.75 115.31 121.43 3ily h LEU 150 Ca 0.20 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3ily h LEU 150 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ily h LEU 150 CO -0.02 0.78 -0.38 -0.33 0.09 0.00 0.00 178.44 178.59 3ily h GLU 151 N 1.30 0.00 0.00 1.13 4.39 -1.05 -3.00 114.58 117.34 3ily h GLU 151 Ca 0.37 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 3ily h GLU 151 Cb -0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3ily h GLU 151 CO -0.10 0.38 -0.40 0.93 -1.16 0.00 0.00 179.01 178.66 3ily h GLU 152 N 0.00 0.00 0.00 2.33 5.08 -0.43 -3.50 114.58 118.06 3ily h GLU 152 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ily h GLU 152 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3ily h GLU 152 CO 0.05 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.87 3ily n GLY 153 N -0.20 0.51 3.71 -3.84 0.00 -1.03 -5.11 105.19 99.23 3ily n GLY 153 Ca -0.01 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 3ily n GLY 153 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ily n LYS 154 N 0.00 1.54 -2.75 1.61 -0.00 -1.26 -4.44 118.16 112.86 3ily n LYS 154 Ca 0.00 0.57 -0.42 0.00 -0.00 0.00 0.00 58.31 58.46 3ily n LYS 154 Cb 0.00 -2.46 -0.03 0.00 -0.00 0.00 0.00 35.03 32.53 3ily n LYS 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ily s LEU 155 N -2.97 4.34 0.00 -5.58 1.43 -1.26 -4.96 118.68 109.68 3ily s LEU 155 Ca 0.72 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3ily s LEU 155 Cb -0.43 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.28 3ily s LEU 155 CO 0.49 -0.28 0.14 -0.38 0.23 0.00 0.00 176.35 176.56