#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 4.42 -0.24 -1.46 1.00 0.17 -4.91 119.30 118.28 3ily s MET 1 Ca 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 55.69 56.97 3ily s MET 1 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 34.83 31.28 3ily s MET 1 CO 0.00 -0.28 0.02 0.15 0.00 0.00 0.00 175.02 174.91 3ily s LYS 2 N 1.90 3.42 -0.17 2.03 1.02 -1.26 -1.57 119.74 125.11 3ily s LYS 2 Ca 0.47 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 3ily s LYS 2 Cb -0.18 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 3ily s LYS 2 CO 0.18 -0.24 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.82 3ily s LEU 3 N 1.53 3.16 -0.14 3.17 1.43 -0.25 0.19 118.68 127.77 3ily s LEU 3 Ca 0.05 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3ily s LEU 3 Cb -0.15 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3ily s LEU 3 CO 0.00 0.13 -0.16 -0.22 0.23 0.00 0.00 176.35 176.33 3ily s LEU 4 N 0.61 2.50 -0.12 1.79 2.96 -0.21 -1.19 118.68 125.01 3ily s LEU 4 Ca -0.03 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 3ily s LEU 4 Cb -0.14 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3ily s LEU 4 CO 0.02 0.12 0.06 -0.36 -1.32 0.00 0.00 176.35 174.87 3ily s PHE 5 N 0.61 3.31 -0.53 5.38 0.08 -0.22 -1.11 117.98 125.51 3ily s PHE 5 Ca -0.09 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.27 3ily s PHE 5 Cb -0.16 -1.91 0.20 0.00 -0.57 0.00 0.00 43.02 40.58 3ily s PHE 5 CO 0.03 0.46 0.49 0.28 -0.10 0.00 0.00 175.22 176.38 3ily n VAL 6 N 2.49 0.28 0.00 -0.44 0.31 -0.54 -1.91 118.33 118.52 3ily n VAL 6 Ca -0.18 -4.25 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 3ily n VAL 6 Cb 0.54 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.96 0.00 0.20 5.55 1.74 -1.26 -2.79 116.66 122.05 3ily n ARG 13 Ca 0.25 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.42 3ily n ARG 13 Cb 0.44 -1.20 0.24 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.08 0.55 4.64 -1.94 -2.39 113.55 114.33 3ily h SER 14 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ily h SER 14 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3ily h SER 14 CO 0.00 0.23 -0.12 -0.65 -0.87 0.00 0.00 176.83 175.42 3ily h PRO 15 N 0.00 0.40 -0.20 4.77 0.11 -1.96 -1.67 132.00 133.46 3ily h PRO 15 Ca -0.00 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3ily h PRO 15 Cb 1.03 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3ily h PRO 15 CO 0.03 0.52 -0.03 0.00 -0.21 0.00 0.00 178.00 178.32 3ily h ALA 16 N 1.51 0.27 -0.43 -0.75 0.00 -1.89 -1.88 119.26 116.09 3ily h ALA 16 Ca 0.07 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ily h ALA 16 Cb 0.44 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3ily h ALA 16 CO 0.02 0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.35 3ily h ALA 17 N 0.76 0.44 -0.20 0.00 0.00 -1.15 0.22 119.26 119.33 3ily h ALA 17 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ily h ALA 17 Cb 0.45 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ily h ALA 17 CO 0.02 -0.34 0.13 1.49 0.00 0.00 0.00 179.25 180.54 3ily h GLU 18 N 0.18 0.27 -0.56 0.00 4.81 -1.28 0.86 114.58 118.86 3ily h GLU 18 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3ily h GLU 18 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3ily h GLU 18 CO -0.30 0.18 0.24 0.00 -0.73 0.00 0.00 179.01 178.40 3ily h ALA 19 N 1.07 0.72 -0.41 2.92 0.00 -0.95 0.08 119.26 122.70 3ily h ALA 19 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3ily h ALA 19 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ily h ALA 19 CO -0.02 0.31 0.03 0.28 0.00 0.00 0.00 179.25 179.85 3ily h VAL 20 N 0.76 1.25 -0.64 0.00 2.07 -0.78 -2.47 116.25 116.44 3ily h VAL 20 Ca 0.19 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 3ily h VAL 20 Cb 0.16 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3ily h VAL 20 CO -0.02 0.32 0.12 -0.03 0.02 0.00 0.00 177.57 177.99 3ily h MET 21 N 0.54 1.03 -0.06 1.57 -1.53 -0.56 0.17 114.93 116.08 3ily h MET 21 Ca 0.12 -0.25 0.01 0.00 -3.44 0.00 0.00 59.70 56.14 3ily h MET 21 Cb 0.43 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 3ily h MET 21 CO 0.01 0.94 -0.01 0.87 0.14 0.00 0.00 176.91 178.86 3ily h LYS 22 N 0.97 0.01 -0.49 0.39 1.57 -0.92 0.56 116.57 118.66 3ily h LYS 22 Ca 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3ily h LYS 22 Cb 0.39 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3ily h LYS 22 CO 0.01 0.01 0.31 -0.22 -0.57 0.00 0.00 179.45 178.99 3ily h LYS 23 N 0.02 0.66 -0.68 3.15 1.63 -1.10 -0.10 116.57 120.14 3ily h LYS 23 Ca 0.03 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3ily h LYS 23 Cb 0.04 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 3ily h LYS 23 CO -0.06 0.46 0.43 0.28 -3.45 0.00 0.00 179.45 177.11 3ily h VAL 24 N 0.67 1.10 -0.49 2.00 2.07 -0.71 0.12 116.25 120.99 3ily h VAL 24 Ca 0.18 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3ily h VAL 24 Cb -0.05 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3ily h VAL 24 CO -0.04 0.15 0.22 0.40 0.02 0.00 0.00 177.57 178.33 3ily h ILE 25 N 0.84 1.20 -0.80 4.57 2.04 -0.56 -2.66 117.51 122.14 3ily h ILE 25 Ca 0.27 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3ily h ILE 25 Cb 0.01 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3ily h ILE 25 CO -0.10 0.22 0.32 -0.61 0.00 0.00 0.00 178.15 177.98 3ily h GLN 26 N 0.65 1.20 -0.97 2.37 4.15 -0.65 -0.69 115.11 121.17 3ily h GLN 26 Ca 0.17 -0.22 0.11 0.00 0.77 0.00 0.00 58.65 59.48 3ily h GLN 26 Cb 0.14 -0.19 -0.08 0.00 0.21 0.00 0.00 27.48 27.56 3ily h GLN 26 CO -0.02 0.97 0.62 -0.91 -1.93 0.00 0.00 178.83 177.56 3ily h ASN 27 N 1.17 0.90 -0.30 -0.69 2.35 -0.46 -0.96 115.58 117.58 3ily h ASN 27 Ca 0.27 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3ily h ASN 27 Cb 0.22 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ily h ASN 27 CO -0.02 0.50 0.00 1.41 -1.65 0.00 0.00 177.43 177.67 3ily n HIS 28 N -4.58 0.40 -3.78 1.19 8.25 -1.01 -4.93 115.22 110.76 3ily n HIS 28 Ca 0.18 -0.20 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 3ily n HIS 28 Cb 0.33 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 0.51 -2.32 -0.81 4.41 8.25 -0.37 -4.91 115.22 119.98 3ily n HIS 29 Ca 0.14 0.92 0.08 0.00 -0.26 0.00 0.00 57.72 58.59 3ily n HIS 29 Cb 0.32 -4.35 0.21 0.00 1.12 0.00 0.00 29.99 27.30 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 -4.62 3.38 -0.18 2.41 4.77 -0.31 -4.77 117.00 117.67 3ily n LEU 30 Ca -0.06 -2.80 0.02 0.00 -0.03 0.00 0.00 56.01 53.14 3ily n LEU 30 Cb 0.58 -0.44 0.29 0.00 -2.33 0.00 0.00 43.42 41.51 3ily n LEU 30 CO 0.71 0.68 1.23 0.74 -1.33 0.00 0.00 177.39 179.42 3ily h THR 31 N 1.47 1.14 -0.12 -5.08 2.02 -1.86 0.29 112.91 110.77 3ily h THR 31 Ca 0.00 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.89 3ily h THR 31 Cb 1.20 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3ily h THR 31 CO 0.14 0.16 0.08 -0.08 0.37 0.00 0.00 175.52 176.19 3ily h GLU 32 N 0.90 0.08 0.00 6.66 4.81 -1.95 -3.19 114.58 121.88 3ily h GLU 32 Ca 0.27 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3ily h GLU 32 Cb -0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ily h GLU 32 CO -0.07 0.05 -1.10 1.17 -0.73 0.00 0.00 179.01 178.34 3ily n LYS 33 N -4.51 0.30 -4.01 1.92 4.81 0.98 -4.78 118.16 112.87 3ily n LYS 33 Ca -0.01 -0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 3ily n LYS 33 Cb 0.14 -1.59 -0.17 0.00 0.02 0.00 0.00 35.03 33.44 3ily n LYS 33 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3ily s TYR 34 N -3.21 0.70 -0.01 5.64 2.02 -0.96 -0.66 117.35 120.88 3ily s TYR 34 Ca 0.03 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3ily s TYR 34 Cb 0.14 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 3ily s TYR 34 CO 0.81 -0.24 -0.18 -1.50 -1.57 0.00 0.00 175.55 172.87 3ily s ILE 35 N 1.28 2.75 0.10 2.71 1.10 -0.61 -4.75 121.20 123.78 3ily s ILE 35 Ca -0.05 -0.99 0.07 0.00 -0.51 0.00 0.00 60.65 59.16 3ily s ILE 35 Cb -0.14 -2.09 -0.04 0.00 0.15 0.00 0.00 42.46 40.35 3ily s ILE 35 CO -0.02 0.48 -0.10 0.00 -2.11 0.00 0.00 174.94 173.19 3ily s ASP 37 N -2.20 0.04 0.20 0.00 2.15 -0.33 -4.97 116.67 111.55 3ily s ASP 37 Ca 0.21 -0.82 -0.00 0.00 0.43 0.00 0.00 52.55 52.37 3ily s ASP 37 Cb -0.11 0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 3ily s ASP 37 CO 0.14 -0.88 0.09 -0.94 -0.17 0.00 0.00 175.17 173.41 3ily s SER 38 N -2.95 0.58 -0.14 -0.34 1.04 -1.26 -1.05 113.70 109.58 3ily s SER 38 Ca 0.15 -1.33 -0.34 0.00 0.48 0.00 0.00 55.95 54.92 3ily s SER 38 Cb 0.03 0.27 0.13 0.00 0.10 0.00 0.00 66.02 66.56 3ily s SER 38 CO -0.02 -0.76 1.19 0.00 0.98 0.00 0.00 173.24 174.63 3ily s ALA 39 N -3.97 -2.07 -1.14 5.32 0.00 -0.80 -4.59 121.76 114.52 3ily s ALA 39 Ca 0.34 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 3ily s ALA 39 Cb 0.07 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3ily s ALA 39 CO 0.10 -0.68 0.39 0.41 0.00 0.00 0.00 175.76 175.98 3ily n GLY 40 N -0.17 -0.51 3.33 0.00 0.00 0.78 -4.20 105.19 104.42 3ily n GLY 40 Ca -0.02 0.24 -0.53 0.00 0.00 0.00 0.00 46.02 45.72 3ily n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ily n GLN 49 N -4.37 0.00 -1.59 1.61 7.27 -1.26 -4.93 117.38 114.10 3ily n GLN 49 Ca -0.16 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.57 3ily n GLN 49 Cb 0.52 -1.26 0.07 0.00 2.41 0.00 0.00 30.24 31.98 3ily n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ily s ALA 50 N -0.37 2.27 -0.23 1.69 0.00 -1.24 -4.89 121.76 118.99 3ily s ALA 50 Ca 0.78 0.78 -0.43 0.00 0.00 0.00 0.00 51.96 53.09 3ily s ALA 50 Cb -1.10 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 18.41 3ily s ALA 50 CO 0.54 -1.61 1.35 -3.47 0.00 0.00 0.00 175.76 172.57 3ily n ASP 51 N -2.51 0.74 0.21 0.00 2.03 -1.26 -4.81 116.55 110.95 3ily n ASP 51 Ca 0.12 1.17 0.05 0.00 0.52 0.00 0.00 54.79 56.65 3ily n ASP 51 Cb 0.51 -0.93 0.46 0.00 -0.72 0.00 0.00 41.12 40.44 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 4.18 0.00 0.15 1.67 4.64 -1.99 -0.27 113.55 121.93 3ily h SER 52 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3ily h SER 52 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3ily h SER 52 CO 0.82 0.27 -0.07 -0.09 -0.87 0.00 0.00 176.83 176.89 3ily h ARG 53 N 0.00 -0.20 -1.01 4.77 9.65 -2.00 -2.73 114.38 122.87 3ily h ARG 53 Ca -0.00 0.01 0.29 0.00 -1.10 0.00 0.00 59.98 59.19 3ily h ARG 53 Cb 0.52 0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 29.01 3ily h ARG 53 CO 0.04 0.23 0.59 1.98 2.80 0.00 0.00 179.97 185.60 3ily h MET 54 N -0.89 0.40 -0.68 0.20 4.05 -1.87 0.16 114.93 116.32 3ily h MET 54 Ca -0.02 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 3ily h MET 54 Cb 0.52 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 3ily h MET 54 CO 0.03 0.27 0.24 0.00 0.23 0.00 0.00 176.91 177.68 3ily h ARG 55 N 0.42 1.03 0.62 0.39 3.08 -1.06 -0.35 114.38 118.50 3ily h ARG 55 Ca 0.70 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.51 3ily h ARG 55 Cb 1.52 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.42 3ily h ARG 55 CO -0.55 0.88 -0.30 0.87 -1.07 0.00 0.00 179.97 179.80 3ily h LYS 56 N 0.97 -0.80 -0.42 0.04 1.57 -0.69 -1.72 116.57 115.51 3ily h LYS 56 Ca 0.22 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 3ily h LYS 56 Cb 0.26 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3ily h LYS 56 CO -0.01 -0.50 -0.01 0.28 -0.57 0.00 0.00 179.45 178.64 3ily h VAL 57 N -1.14 0.67 -0.88 0.50 2.07 -1.26 -0.94 116.25 115.25 3ily h VAL 57 Ca -0.09 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.50 3ily h VAL 57 Cb 0.68 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3ily h VAL 57 CO 0.14 0.02 0.53 1.23 0.02 0.00 0.00 177.57 179.51 3ily h GLY 58 N 0.10 1.39 1.01 2.17 0.00 -1.12 -2.62 103.07 103.99 3ily h GLY 58 Ca 0.21 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3ily h GLY 58 CO -0.36 0.17 -0.11 1.70 0.00 0.00 0.00 176.54 177.94 3ily h LYS 59 N 0.89 0.84 0.00 4.80 3.64 -0.26 0.20 116.57 126.68 3ily h LYS 59 Ca 0.42 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ily h LYS 59 Cb 0.36 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ily h LYS 59 CO -0.24 0.95 0.00 0.66 -2.27 0.00 0.00 179.45 178.56 3ily h SER 60 N 0.67 0.00 -0.34 4.20 4.64 -0.86 -1.42 113.55 120.43 3ily h SER 60 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ily h SER 60 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3ily h SER 60 CO 0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 3ily n ARG 61 N -2.97 2.90 -0.19 4.77 1.74 -0.74 -4.98 116.66 117.19 3ily n ARG 61 Ca -0.03 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 3ily n ARG 61 Cb 0.08 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.35 0.90 3.30 -0.13 0.00 -0.54 -5.07 105.19 104.01 3ily n GLY 62 Ca 0.14 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 2.57 -0.53 1.61 2.02 0.64 -4.98 117.35 116.68 3ily s TYR 63 Ca 0.00 -0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 55.84 3ily s TYR 63 Cb 0.00 -1.67 0.13 0.00 -0.40 0.00 0.00 41.96 40.01 3ily s TYR 63 CO 0.00 -0.21 0.48 1.14 -1.57 0.00 0.00 175.55 175.40 3ily s GLN 64 N -0.04 2.97 -0.57 -0.62 -2.07 -1.26 -2.66 119.66 115.41 3ily s GLN 64 Ca -0.06 -1.68 -0.20 0.00 -1.82 0.00 0.00 55.36 51.60 3ily s GLN 64 Cb -0.15 -4.27 0.08 0.00 -1.09 0.00 0.00 33.01 27.58 3ily s GLN 64 CO 0.05 -1.30 0.73 0.08 -1.32 0.00 0.00 175.29 173.52 3ily s VAL 65 N 1.59 4.75 -0.46 3.63 1.01 -1.26 -4.66 120.40 125.00 3ily s VAL 65 Ca 0.03 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3ily s VAL 65 Cb -0.29 -4.45 0.25 0.00 0.00 0.00 0.00 36.38 31.89 3ily s VAL 65 CO 0.03 -1.06 0.81 -0.90 0.00 0.00 0.00 175.10 173.99 3ily n ASP 66 N 6.53 -1.94 -4.43 3.32 5.68 -1.26 -4.77 116.55 119.67 3ily n ASP 66 Ca -0.07 -3.18 -0.33 0.00 -0.50 0.00 0.00 54.79 50.71 3ily n ASP 66 Cb 0.44 1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 41.42 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 -1.56 4.13 -0.32 -1.12 1.04 -1.26 -5.00 113.70 109.61 3ily s SER 67 Ca 0.32 -0.24 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 3ily s SER 67 Cb 0.23 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.00 3ily s SER 67 CO -0.19 0.24 1.55 0.27 0.98 0.00 0.00 173.24 176.09 3ily s ILE 68 N -0.11 3.77 -0.56 -1.02 -4.36 -1.26 -3.66 121.20 114.00 3ily s ILE 68 Ca -0.01 0.82 -0.26 0.00 -0.26 0.00 0.00 60.65 60.94 3ily s ILE 68 Cb -0.14 -3.92 -0.07 0.00 1.25 0.00 0.00 42.46 39.59 3ily s ILE 68 CO 0.03 -0.50 2.30 -0.55 0.24 0.00 0.00 174.94 176.46 3ily s SER 69 N 4.39 4.53 0.36 4.36 0.15 -1.26 -4.96 113.70 121.26 3ily s SER 69 Ca 0.68 0.77 0.07 0.00 0.70 0.00 0.00 55.95 58.16 3ily s SER 69 Cb -0.19 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3ily s SER 69 CO 0.31 -2.92 0.50 0.00 1.20 0.00 0.00 173.24 172.32 3ily s ARG 70 N 8.10 3.06 0.10 5.44 1.70 -1.26 -4.95 118.95 131.13 3ily s ARG 70 Ca 0.91 -1.04 -0.03 0.00 -0.47 0.00 0.00 55.73 55.10 3ily s ARG 70 Cb -0.15 -2.80 -0.05 0.00 -0.57 0.00 0.00 34.95 31.38 3ily s ARG 70 CO 0.22 -0.02 0.30 -1.25 -1.08 0.00 0.00 175.30 173.47 3ily s PRO 71 N -4.22 3.54 0.14 3.89 0.04 -1.26 -0.15 135.00 136.97 3ily s PRO 71 Ca 0.47 -0.23 -0.31 0.00 0.04 0.00 0.00 61.00 60.97 3ily s PRO 71 Cb -0.10 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 3ily s PRO 71 CO 0.32 0.54 1.52 0.08 0.04 0.00 0.00 177.00 179.49 3ily s VAL 72 N -1.58 2.89 0.39 -0.36 1.01 -1.26 -4.70 120.40 116.79 3ily s VAL 72 Ca 0.38 0.61 0.07 0.00 0.00 0.00 0.00 61.98 63.04 3ily s VAL 72 Cb -0.13 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3ily s VAL 72 CO 0.25 0.04 -0.00 0.68 0.00 0.00 0.00 175.10 176.08 3ily s VAL 73 N 1.30 1.95 0.28 2.92 -7.23 -1.26 -4.99 120.40 113.38 3ily s VAL 73 Ca 0.69 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3ily s VAL 73 Cb -0.41 -2.92 0.22 0.00 0.56 0.00 0.00 36.38 33.82 3ily s VAL 73 CO 0.31 -0.03 1.90 0.77 -0.31 0.00 0.00 175.10 177.74 3ily h SER 74 N 1.85 0.91 0.58 4.85 4.64 -1.97 -1.82 113.55 122.58 3ily h SER 74 Ca -0.43 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3ily h SER 74 Cb 1.24 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3ily h SER 74 CO 0.78 0.74 -0.03 0.77 -0.87 0.00 0.00 176.83 178.22 3ily h SER 75 N 1.02 0.00 -0.83 4.97 4.64 -2.00 -1.90 113.55 119.45 3ily h SER 75 Ca 0.26 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.64 3ily h SER 75 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3ily h SER 75 CO -0.04 0.03 0.54 0.44 -0.87 0.00 0.00 176.83 176.93 3ily h ASP 76 N 0.00 0.80 0.25 4.97 3.32 -1.74 0.24 116.42 124.26 3ily h ASP 76 Ca -0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3ily h ASP 76 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3ily h ASP 76 CO 0.00 0.52 -0.18 -0.26 -1.72 0.00 0.00 179.24 177.60 3ily h PHE 77 N 0.91 0.00 0.19 4.55 0.04 -1.49 -2.02 116.94 119.11 3ily h PHE 77 Ca 0.36 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.80 3ily h PHE 77 Cb 0.23 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.39 3ily h PHE 77 CO -0.00 0.18 -1.58 0.87 -0.60 0.00 0.00 178.31 177.18 3ily h LYS 78 N 0.00 0.40 0.19 1.51 1.79 -1.46 -3.42 116.57 115.57 3ily h LYS 78 Ca -0.00 -0.68 -0.31 0.00 -2.18 0.00 0.00 60.65 57.47 3ily h LYS 78 Cb 0.36 0.25 0.02 0.00 -1.58 0.00 0.00 32.23 31.28 3ily h LYS 78 CO 0.02 1.33 -1.44 -0.91 -1.08 0.00 0.00 179.45 177.37 3ily h ASN 79 N 0.01 0.62 -3.84 0.86 2.35 -0.13 -3.46 115.58 112.00 3ily h ASN 79 Ca -0.31 -0.71 -0.48 0.00 -0.55 0.00 0.00 56.30 54.26 3ily h ASN 79 Cb 2.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 40.18 3ily h ASN 79 CO 0.18 1.57 0.18 -0.36 -1.65 0.00 0.00 177.43 177.34 3ily s PHE 80 N -2.62 3.36 -0.02 1.19 0.40 -0.80 -4.89 117.98 114.61 3ily s PHE 80 Ca -0.08 1.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.57 3ily s PHE 80 Cb 0.06 -2.63 -0.27 0.00 0.51 0.00 0.00 43.02 40.69 3ily s PHE 80 CO 0.90 0.01 0.77 -0.44 0.70 0.00 0.00 175.22 177.16 3ily h ASP 81 N 2.05 0.32 -4.84 1.36 5.19 -0.59 -3.47 116.42 116.44 3ily h ASP 81 Ca -0.48 -0.50 -0.24 0.00 -0.62 0.00 0.00 57.03 55.20 3ily h ASP 81 Cb 1.18 -0.10 -0.21 0.00 0.18 0.00 0.00 39.33 40.37 3ily h ASP 81 CO 0.64 1.42 -0.72 -0.31 -3.12 0.00 0.00 179.24 177.15 3ily s TYR 82 N -2.61 0.54 -0.06 4.55 2.02 -0.98 -4.71 117.35 116.09 3ily s TYR 82 Ca -0.10 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 3ily s TYR 82 Cb 0.07 -0.33 0.02 0.00 -0.40 0.00 0.00 41.96 41.32 3ily s TYR 82 CO 0.84 -0.13 -0.03 0.42 -1.57 0.00 0.00 175.55 175.08 3ily s ILE 83 N -1.50 0.49 -0.17 2.71 1.01 0.39 -1.05 121.20 123.08 3ily s ILE 83 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3ily s ILE 83 Cb -0.09 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.82 3ily s ILE 83 CO -0.00 0.24 -0.18 -0.36 0.00 0.00 0.00 174.94 174.64 3ily s PHE 84 N 1.36 2.78 0.09 3.97 0.08 -0.27 -0.05 117.98 125.94 3ily s PHE 84 Ca -0.04 -1.39 -0.16 0.00 0.12 0.00 0.00 56.93 55.46 3ily s PHE 84 Cb -0.13 -1.91 -0.07 0.00 -0.57 0.00 0.00 43.02 40.34 3ily s PHE 84 CO -0.02 -0.67 0.53 0.00 -0.10 0.00 0.00 175.22 174.95 3ily s ALA 85 N 1.13 3.60 -0.24 5.36 0.00 0.56 -1.46 121.76 130.71 3ily s ALA 85 Ca 0.01 -0.08 0.21 0.00 0.00 0.00 0.00 51.96 52.10 3ily s ALA 85 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3ily s ALA 85 CO -0.07 0.44 1.09 0.52 0.00 0.00 0.00 175.76 177.74 3ily h MET 86 N 4.15 0.00 -4.27 0.00 0.00 -1.85 0.28 114.93 113.24 3ily h MET 86 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 59.70 58.95 3ily h MET 86 Cb 1.21 0.00 -0.11 0.00 0.00 0.00 0.00 31.60 32.70 3ily h MET 86 CO 0.64 0.06 -0.34 0.16 0.00 0.00 0.00 176.91 177.44 3ily s ASP 87 N -5.57 0.63 0.32 1.22 1.47 -1.26 -0.13 116.67 113.35 3ily s ASP 87 Ca 0.00 -1.39 0.05 0.00 1.18 0.00 0.00 52.55 52.40 3ily s ASP 87 Cb 0.09 0.56 0.54 0.00 -0.34 0.00 0.00 42.92 43.76 3ily s ASP 87 CO 0.78 -1.11 1.79 0.78 0.68 0.00 0.00 175.17 178.09 3ily h ASN 88 N 2.28 0.37 0.22 2.11 2.35 -1.92 -2.18 115.58 118.82 3ily h ASN 88 Ca -0.29 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.15 3ily h ASN 88 Cb 1.24 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 3ily h ASN 88 CO 0.41 0.60 -0.76 -0.78 -1.65 0.00 0.00 177.43 175.25 3ily h ASP 89 N 0.34 0.54 -0.65 5.81 3.58 -2.00 -2.24 116.42 121.80 3ily h ASP 89 Ca 0.06 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.10 3ily h ASP 89 Cb 0.58 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 3ily h ASP 89 CO 0.04 1.12 0.26 0.78 -2.88 0.00 0.00 179.24 178.56 3ily h ASN 90 N 0.30 0.90 -0.22 2.28 -0.26 -1.91 -1.98 115.58 114.71 3ily h ASN 90 Ca -0.04 -0.17 0.05 0.00 -0.56 0.00 0.00 56.30 55.58 3ily h ASN 90 Cb 1.36 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 38.32 3ily h ASN 90 CO 0.13 0.83 -0.16 0.22 -1.06 0.00 0.00 177.43 177.40 3ily h TYR 91 N 0.92 -0.40 -0.01 1.19 3.20 -1.05 0.36 116.97 121.19 3ily h TYR 91 Ca 0.22 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.90 3ily h TYR 91 Cb 0.21 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3ily h TYR 91 CO 0.01 -0.23 -0.91 1.88 -1.64 0.00 0.00 178.16 177.27 3ily h TYR 92 N -0.16 0.59 -0.32 -3.82 0.05 -1.40 -2.26 116.97 109.66 3ily h TYR 92 Ca 0.13 -0.31 0.06 0.00 0.05 0.00 0.00 58.73 58.66 3ily h TYR 92 Cb 0.34 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 37.95 3ily h TYR 92 CO -0.31 1.13 -0.07 1.49 -1.05 0.00 0.00 178.16 179.34 3ily h GLU 93 N 0.23 0.01 -0.47 4.88 4.57 -1.04 0.41 114.58 123.17 3ily h GLU 93 Ca -0.07 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3ily h GLU 93 Cb 1.54 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.09 3ily h GLU 93 CO 0.16 0.01 0.22 -0.07 -1.18 0.00 0.00 179.01 178.15 3ily h LEU 94 N 0.01 0.31 -0.23 1.64 3.38 -0.20 -2.48 115.31 117.75 3ily h LEU 94 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ily h LEU 94 Cb 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ily h LEU 94 CO -0.33 0.22 0.09 -0.07 0.09 0.00 0.00 178.44 178.45 3ily h LEU 95 N 0.44 0.31 -0.81 1.67 3.38 -0.85 0.05 115.31 119.50 3ily h LEU 95 Ca 0.21 -0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.22 3ily h LEU 95 Cb 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 3ily h LEU 95 CO -0.16 0.38 0.11 0.44 0.09 0.00 0.00 178.44 179.31 3ily h ASP 96 N 0.22 -0.18 1.67 -0.43 3.32 -0.79 -2.32 116.42 117.90 3ily h ASP 96 Ca 0.08 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3ily h ASP 96 Cb 0.16 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ily h ASP 96 CO -0.01 -0.16 -0.34 -0.09 -1.72 0.00 0.00 179.24 176.93 3ily h ARG 97 N 0.16 0.00 -6.40 3.56 2.43 -0.91 -3.46 114.38 109.77 3ily h ARG 97 Ca 0.47 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 59.11 3ily h ARG 97 Cb 0.89 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3ily h ARG 97 CO -0.65 0.07 0.30 0.00 -1.51 0.00 0.00 179.97 178.17 3ily n PRO 99 N 3.37 1.21 -0.27 0.00 -0.02 -1.26 -4.84 135.00 133.19 3ily n PRO 99 Ca 0.03 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3ily n PRO 99 Cb 0.50 -2.14 0.15 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.11 0.65 0.00 -0.52 4.57 -1.95 -1.77 114.58 116.66 3ily h GLU 100 Ca -0.47 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3ily h GLU 100 Cb 1.34 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3ily h GLU 100 CO 0.54 0.43 -0.03 -0.56 -1.18 0.00 0.00 179.01 178.22 3ily h GLN 101 N 0.67 0.00 -0.02 1.92 3.07 -2.02 -2.83 115.11 115.90 3ily h GLN 101 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.12 3ily h GLN 101 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 3ily h GLN 101 CO -0.27 0.03 -0.21 0.66 0.09 0.00 0.00 178.83 179.12 3ily n TYR 102 N -3.35 0.00 0.21 0.06 4.01 -0.67 -4.67 117.16 112.75 3ily n TYR 102 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 3ily n TYR 102 Cb 0.14 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 39.99 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 3.17 0.00 0.00 -0.72 1.57 -1.46 -0.42 116.57 118.71 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 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3ily h LYS 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3ily n GLN 104 N -3.91 0.08 0.05 3.15 0.00 -1.26 -2.85 117.38 112.65 3ily n GLN 104 Ca 0.01 0.28 0.13 0.00 0.00 0.00 0.00 57.00 57.42 3ily n GLN 104 Cb 0.29 -1.64 0.47 0.00 0.00 0.00 0.00 30.24 29.35 3ily n GLN 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3ily n LYS 105 N -1.79 0.13 -3.39 2.61 5.02 -0.17 -4.83 118.16 115.75 3ily n LYS 105 Ca 0.04 0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 3ily n LYS 105 Cb 0.22 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3ily n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ily s ILE 106 N -3.06 5.18 0.12 -0.18 1.01 -1.13 -0.47 121.20 122.69 3ily s ILE 106 Ca 0.12 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.46 3ily s ILE 106 Cb 0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3ily s ILE 106 CO 0.58 0.20 -0.14 -0.36 0.00 0.00 0.00 174.94 175.23 3ily s PHE 107 N 1.71 1.38 0.02 3.97 0.08 0.93 -4.97 117.98 121.10 3ily s PHE 107 Ca 0.17 -0.57 -0.26 0.00 0.12 0.00 0.00 56.93 56.38 3ily s PHE 107 Cb -0.15 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 3ily s PHE 107 CO 0.09 0.14 0.83 0.15 -0.10 0.00 0.00 175.22 176.32 3ily s LYS 108 N -2.78 4.53 0.14 0.44 1.02 -1.26 -0.32 119.74 121.51 3ily s LYS 108 Ca 0.10 1.16 -0.22 0.00 0.02 0.00 0.00 55.97 57.03 3ily s LYS 108 Cb -0.04 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3ily s LYS 108 CO 0.03 0.16 1.66 1.98 -0.92 0.00 0.00 175.35 178.26 3ily h MET 109 N 6.09 -0.17 0.00 1.68 1.85 -0.75 -2.88 114.93 120.75 3ily h MET 109 Ca -0.43 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.68 3ily h MET 109 Cb 1.21 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.28 3ily h MET 109 CO 0.73 -0.11 0.00 1.33 -0.40 0.00 0.00 176.91 178.45 3ily n VAL 110 N -5.31 0.91 0.26 -5.77 0.24 -1.26 -1.19 118.33 106.21 3ily n VAL 110 Ca -0.02 0.28 0.06 0.00 -2.04 0.00 0.00 64.34 62.62 3ily n VAL 110 Cb 0.23 -1.18 0.29 0.00 -1.47 0.00 0.00 33.84 31.70 3ily n VAL 110 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ily n ASP 111 N -2.07 0.22 -0.21 -1.34 8.00 -1.09 -1.04 116.55 119.02 3ily n ASP 111 Ca 0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.21 3ily n ASP 111 Cb 0.20 -0.61 0.14 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.76 0.00 -1.90 1.24 3.72 -0.33 -4.94 117.46 113.47 3ily n PHE 112 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 3ily n PHE 112 Cb 0.10 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.16 0.00 -0.00 0.00 -2.24 -1.26 -4.87 114.28 106.06 3ily n THR 114 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ily n THR 114 Cb 0.42 0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.98 0.05 -3.19 4.28 -2.24 -1.26 -4.99 114.28 105.95 3ily n THR 115 Ca 0.00 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 3ily n THR 115 Cb 0.03 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 3ily n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ily s ILE 116 N -2.03 5.11 -0.97 2.28 1.01 -1.26 -5.01 121.20 120.33 3ily s ILE 116 Ca -0.00 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 3ily s ILE 116 Cb 0.00 -3.91 0.25 0.00 0.01 0.00 0.00 42.46 38.81 3ily s ILE 116 CO 0.04 0.26 0.94 -0.54 0.00 0.00 0.00 174.94 175.63 3ily s LYS 117 N 0.97 3.90 0.09 2.79 3.01 -1.26 -4.85 119.74 124.39 3ily s LYS 117 Ca 0.30 -2.82 0.04 0.00 -1.01 0.00 0.00 55.97 52.47 3ily s LYS 117 Cb -0.16 -4.50 -0.03 0.00 -1.01 0.00 0.00 37.83 32.13 3ily s LYS 117 CO 0.13 -1.27 -0.10 -0.08 0.51 0.00 0.00 175.35 174.53 3ily s THR 118 N -0.50 0.92 -0.20 2.17 -1.32 -1.26 -5.07 115.64 110.38 3ily s THR 118 Ca 0.24 -1.58 0.14 0.00 -1.21 0.00 0.00 61.69 59.28 3ily s THR 118 Cb -0.10 -1.29 -0.20 0.00 -1.51 0.00 0.00 72.50 69.40 3ily s THR 118 CO -0.08 -0.53 0.39 0.35 -2.21 0.00 0.00 174.62 172.53 3ily n THR 119 N 0.66 0.00 -3.73 5.08 -2.24 -1.26 -4.92 114.28 107.87 3ily n THR 119 Ca -0.17 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3ily n THR 119 Cb 0.57 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.76 0.92 -0.01 -0.78 2.02 -1.26 -4.72 118.70 112.10 3ily s GLU 120 Ca -0.02 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 3ily s GLU 120 Cb 0.09 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.67 3ily s GLU 120 CO 0.57 -0.32 1.41 0.08 0.02 0.00 0.00 175.26 177.02 3ily s VAL 121 N -3.35 3.72 0.53 2.63 1.01 0.82 -4.99 120.40 120.76 3ily s VAL 121 Ca 0.01 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 3ily s VAL 121 Cb 0.02 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3ily s VAL 121 CO -0.08 -0.01 1.01 -2.16 0.00 0.00 0.00 175.10 173.85 3ily s PRO 122 N 2.54 3.75 -0.20 2.72 0.05 -1.26 -4.74 135.00 137.86 3ily s PRO 122 Ca 0.64 1.08 -0.23 0.00 0.05 0.00 0.00 61.00 62.54 3ily s PRO 122 Cb -0.31 -2.10 -0.02 0.00 0.05 0.00 0.00 34.50 32.12 3ily s PRO 122 CO 0.26 -0.44 0.72 0.34 0.05 0.00 0.00 177.00 177.93 3ily s ASP 123 N -2.84 6.77 -0.47 6.66 2.15 -1.26 -4.88 116.67 122.80 3ily s ASP 123 Ca 0.61 0.95 -0.08 0.00 0.43 0.00 0.00 52.55 54.46 3ily s ASP 123 Cb -0.12 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 40.03 3ily s ASP 123 CO 0.31 -0.36 1.63 -0.81 -0.17 0.00 0.00 175.17 175.77 3ily n PRO 124 N 5.34 1.05 -3.24 4.34 -0.04 -1.26 -4.96 135.00 136.22 3ily n PRO 124 Ca 0.01 -1.12 -0.23 0.00 -0.04 0.00 0.00 63.50 62.12 3ily n PRO 124 Cb 0.49 -2.35 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 3ily n PRO 124 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ily n TYR 125 N 5.41 -1.02 0.00 0.54 4.02 -1.26 -4.64 117.16 120.20 3ily n TYR 125 Ca 0.29 -3.21 0.00 0.00 -0.01 0.00 0.00 57.90 54.98 3ily n TYR 125 Cb 0.15 0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 3ily n TYR 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ily n GLY 128 N 2.24 0.84 0.00 2.72 0.00 -1.26 -5.05 105.19 104.68 3ily n GLY 128 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 3ily n GLY 128 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ily n GLU 129 N 0.00 0.32 0.18 1.61 -0.00 -1.26 -4.06 120.64 117.43 3ily n GLU 129 Ca 0.00 -0.04 0.17 0.00 -0.00 0.00 0.00 57.16 57.29 3ily n GLU 129 Cb 0.00 -1.10 0.79 0.00 -0.00 0.00 0.00 31.44 31.14 3ily n GLU 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3ily h LYS 130 N 0.00 0.00 -0.78 3.44 1.57 -2.01 -3.00 116.57 115.80 3ily h LYS 130 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3ily h LYS 130 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3ily h LYS 130 CO 0.00 0.00 0.51 0.78 -0.57 0.00 0.00 179.45 180.17 3ily h GLY 131 N 0.00 0.96 0.89 3.86 0.00 -1.85 -0.41 103.07 106.53 3ily h GLY 131 Ca 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3ily h GLY 131 CO -0.00 0.14 0.00 0.74 0.00 0.00 0.00 176.54 177.42 3ily h PHE 132 N 0.64 0.60 -0.51 5.60 0.04 -1.77 -2.51 116.94 119.04 3ily h PHE 132 Ca 0.37 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 61.08 3ily h PHE 132 Cb 0.55 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 3ily h PHE 132 CO -0.00 0.68 0.24 0.45 -0.60 0.00 0.00 178.31 179.08 3ily h HIS 133 N 0.35 0.44 -0.33 -0.55 3.86 -1.52 -2.50 115.15 114.90 3ily h HIS 133 Ca 0.09 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3ily h HIS 133 Cb 0.44 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3ily h HIS 133 CO 0.04 0.20 0.21 0.00 0.86 0.00 0.00 177.93 179.24 3ily h ARG 134 N 0.47 0.45 -0.22 2.45 -0.00 -1.03 0.17 114.38 116.67 3ily h ARG 134 Ca 0.23 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.59 3ily h ARG 134 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 30.03 3ily h ARG 134 CO -0.17 0.31 -0.21 0.28 0.00 0.00 0.00 179.97 180.18 3ily h VAL 135 N 0.46 1.32 -0.23 2.04 2.07 -1.18 -2.28 116.25 118.45 3ily h VAL 135 Ca 0.12 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 3ily h VAL 135 Cb -0.03 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3ily h VAL 135 CO -0.02 0.42 -0.36 0.40 0.02 0.00 0.00 177.57 178.02 3ily h ILE 136 N 0.23 1.29 -0.17 4.57 2.04 -0.87 -1.91 117.51 122.68 3ily h ILE 136 Ca 0.04 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.44 3ily h ILE 136 Cb 0.75 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3ily h ILE 136 CO 0.05 0.47 -0.07 0.44 0.00 0.00 0.00 178.15 179.04 3ily h ASP 137 N 0.43 -0.24 -0.78 1.72 3.32 -0.63 0.17 116.42 120.41 3ily h ASP 137 Ca 0.04 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3ily h ASP 137 Cb 0.83 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 3ily h ASP 137 CO 0.07 -0.10 0.34 0.40 -1.72 0.00 0.00 179.24 178.23 3ily h ILE 138 N -0.05 1.25 -0.27 0.35 2.04 -1.17 -2.69 117.51 116.97 3ily h ILE 138 Ca 0.09 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 3ily h ILE 138 Cb 0.18 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3ily h ILE 138 CO -0.20 0.32 -0.15 -0.07 0.00 0.00 0.00 178.15 178.04 3ily h LEU 139 N 1.13 0.60 -0.51 1.44 3.38 -0.99 -1.52 115.31 118.84 3ily h LEU 139 Ca 0.27 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3ily h LEU 139 Cb 0.17 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3ily h LEU 139 CO -0.03 0.89 -0.12 -0.33 0.09 0.00 0.00 178.44 178.94 3ily h GLU 140 N 0.31 0.01 0.05 1.13 5.08 -0.89 0.36 114.58 120.63 3ily h GLU 140 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ily h GLU 140 Cb 0.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3ily h GLU 140 CO 0.04 0.00 -0.02 0.22 -1.00 0.00 0.00 179.01 178.25 3ily h ASP 141 N 0.01 -0.06 -0.31 1.42 3.58 -1.39 -2.08 116.42 117.58 3ily h ASP 141 Ca 0.24 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 3ily h ASP 141 Cb 0.37 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3ily h ASP 141 CO -0.52 0.04 -0.21 0.00 -2.88 0.00 0.00 179.24 175.68 3ily h ALA 142 N 0.79 0.45 -0.42 -0.78 0.00 -1.06 -2.21 119.26 116.02 3ily h ALA 142 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3ily h ALA 142 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ily h ALA 142 CO 0.01 0.40 -0.21 0.00 0.00 0.00 0.00 179.25 179.45 3ily h GLU 144 N 0.73 -0.24 -0.42 0.00 4.57 -1.37 -1.53 114.58 116.33 3ily h GLU 144 Ca 0.10 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3ily h GLU 144 Cb 0.74 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3ily h GLU 144 CO 0.06 -0.05 0.15 -0.97 -1.18 0.00 0.00 179.01 177.02 3ily h ASN 145 N -0.39 0.55 -0.78 1.04 -0.73 -1.32 -2.67 115.58 111.27 3ily h ASN 145 Ca -0.03 -0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.04 3ily h ASN 145 Cb 0.30 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 3ily h ASN 145 CO 0.04 0.52 0.33 0.25 -0.37 0.00 0.00 177.43 178.20 3ily h LEU 146 N 0.60 1.07 -0.62 0.34 5.85 -0.53 -0.40 115.31 121.62 3ily h LEU 146 Ca 0.14 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3ily h LEU 146 Cb 0.16 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ily h LEU 146 CO -0.01 0.94 0.04 -0.29 -0.34 0.00 0.00 178.44 178.78 3ily h ILE 147 N 1.13 1.26 -0.18 4.05 6.09 -1.08 0.16 117.51 128.94 3ily h ILE 147 Ca 0.26 -1.10 0.04 0.00 -1.37 0.00 0.00 64.86 62.70 3ily h ILE 147 Cb 0.19 0.76 -0.04 0.00 0.47 0.00 0.00 36.82 38.19 3ily h ILE 147 CO -0.03 0.40 -0.09 0.40 -3.07 0.00 0.00 178.15 175.77 3ily h ILE 148 N 0.97 0.71 -0.54 2.19 2.04 -1.19 -1.49 117.51 120.20 3ily h ILE 148 Ca 0.18 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 3ily h ILE 148 Cb 0.51 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ily h ILE 148 CO 0.02 0.00 0.03 0.11 0.00 0.00 0.00 178.15 178.31 3ily h LYS 149 N -0.07 0.94 -0.55 2.37 1.79 -0.73 -2.88 116.57 117.44 3ily h LYS 149 Ca 0.10 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3ily h LYS 149 Cb 0.22 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3ily h LYS 149 CO -0.23 0.94 0.28 -0.07 -1.08 0.00 0.00 179.45 179.28 3ily h LEU 150 N 0.82 0.68 -1.31 2.94 3.38 -0.40 -1.88 115.31 119.53 3ily h LEU 150 Ca 0.16 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3ily h LEU 150 Cb 0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3ily h LEU 150 CO 0.02 0.57 -0.27 -0.33 0.09 0.00 0.00 178.44 178.52 3ily h GLU 151 N 0.76 0.11 0.00 1.13 4.39 -1.14 -3.15 114.58 116.68 3ily h GLU 151 Ca 0.19 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 3ily h GLU 151 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3ily h GLU 151 CO -0.03 0.38 -0.45 0.93 -1.16 0.00 0.00 179.01 178.69 3ily h GLU 152 N 0.10 0.00 0.00 2.33 5.08 -1.14 -3.50 114.58 117.46 3ily h GLU 152 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ily h GLU 152 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ily h GLU 152 CO 0.04 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 3ily n GLY 153 N 0.61 0.41 3.58 -3.84 0.00 -1.10 -5.11 105.19 99.74 3ily n GLY 153 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3ily n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ily n LYS 154 N 0.00 1.26 -2.71 1.61 3.00 -1.26 -4.50 118.16 115.56 3ily n LYS 154 Ca 0.00 0.45 -0.42 0.00 -0.00 0.00 0.00 58.31 58.34 3ily n LYS 154 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.09 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 0.06 4.31 -0.04 3.14 1.43 -1.26 -4.97 118.68 121.36 3ily s LEU 155 Ca 0.62 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 3ily s LEU 155 Cb -0.61 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 3ily s LEU 155 CO 0.58 -0.34 -0.16 -0.63 0.23 0.00 0.00 176.35 176.02 3ily s ILE 156 N 1.47 1.37 0.00 -0.59 -1.09 -1.26 -5.11 121.20 115.99 3ily s ILE 156 Ca 0.50 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3ily s ILE 156 Cb -0.20 -1.17 0.00 0.00 -1.58 0.00 0.00 42.46 39.51 3ily s ILE 156 CO 0.23 0.40 0.00 -3.20 -1.23 0.00 0.00 174.94 171.14