#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x17 s LEU 2 N 0.00 4.05 0.51 4.03 1.43 -1.26 -5.02 118.68 122.42 2x17 s LEU 2 Ca 0.00 2.26 -0.20 0.00 -1.03 0.00 0.00 54.13 55.15 2x17 s LEU 2 Cb 0.00 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 2x17 s LEU 2 CO 0.00 -0.82 1.09 -0.94 0.23 0.00 0.00 176.35 175.91 2x17 s SER 3 N -1.38 6.06 0.37 2.29 1.04 -1.26 -4.82 113.70 115.99 2x17 s SER 3 Ca 0.62 2.08 0.14 0.00 0.48 0.00 0.00 55.95 59.27 2x17 s SER 3 Cb -0.27 -2.57 0.98 0.00 0.10 0.00 0.00 66.02 64.26 2x17 s SER 3 CO 0.34 -0.98 1.77 -0.08 0.98 0.00 0.00 173.24 175.27 2x17 h GLU 4 N 1.48 0.49 -0.37 4.02 4.81 -2.00 0.35 114.58 123.37 2x17 h GLU 4 Ca -0.50 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 2x17 h GLU 4 Cb 1.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2x17 h GLU 4 CO 0.58 0.33 -0.34 -0.09 -0.73 0.00 0.00 179.01 178.76 2x17 h ARG 5 N 0.51 0.88 -0.25 1.92 2.43 -2.00 -2.94 114.38 114.93 2x17 h ARG 5 Ca 0.59 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 2x17 h ARG 5 Cb 1.29 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2x17 h ARG 5 CO -0.33 1.10 -0.29 1.98 -1.51 0.00 0.00 179.97 180.91 2x17 h MET 6 N 0.68 0.64 -0.96 0.20 4.05 -1.36 -2.18 114.93 115.99 2x17 h MET 6 Ca 0.06 -0.35 0.05 0.00 -0.28 0.00 0.00 59.70 59.17 2x17 h MET 6 Cb 0.93 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.69 2x17 h MET 6 CO 0.09 0.96 0.63 1.25 0.23 0.00 0.00 176.91 180.06 2x17 h LEU 7 N 0.35 1.02 -0.48 3.39 5.85 -1.21 -0.46 115.31 123.77 2x17 h LEU 7 Ca 0.03 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2x17 h LEU 7 Cb 0.87 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2x17 h LEU 7 CO 0.07 0.68 -0.12 0.50 -0.34 0.00 0.00 178.44 179.23 2x17 h LYS 8 N 1.17 0.94 -0.09 1.25 3.64 -1.46 -1.74 116.57 120.28 2x17 h LYS 8 Ca 0.39 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2x17 h LYS 8 Cb 0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2x17 h LYS 8 CO -0.13 1.02 -0.40 0.00 -2.27 0.00 0.00 179.45 177.67 2x17 h ALA 9 N 0.89 1.15 -0.01 5.00 0.00 -0.70 -0.17 119.26 125.41 2x17 h ALA 9 Ca 0.12 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2x17 h ALA 9 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2x17 h ALA 9 CO 0.05 0.57 -0.99 -0.07 0.00 0.00 0.00 179.25 178.81 2x17 h LEU 10 N 0.17 0.79 -0.97 0.00 3.38 -1.08 -2.84 115.31 114.76 2x17 h LEU 10 Ca 0.02 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 2x17 h LEU 10 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2x17 h LEU 10 CO 0.06 1.42 -0.05 0.78 0.09 0.00 0.00 178.44 180.74 2x17 h ASN 11 N 0.35 0.67 -0.38 -0.43 2.35 -1.11 -1.63 115.58 115.41 2x17 h ASN 11 Ca -0.11 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.35 2x17 h ASN 11 Cb 1.63 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 2x17 h ASN 11 CO 0.19 0.77 -0.23 0.44 -1.65 0.00 0.00 177.43 176.95 2x17 h ASP 12 N 0.64 0.90 0.32 5.81 3.45 -1.07 -2.62 116.42 123.84 2x17 h ASP 12 Ca 0.12 -0.34 -0.15 0.00 0.43 0.00 0.00 57.03 57.09 2x17 h ASP 12 Cb 0.48 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 2x17 h ASP 12 CO 0.02 1.09 -0.61 -0.61 -1.57 0.00 0.00 179.24 177.57 2x17 h GLN 13 N 0.76 0.29 -0.84 3.56 5.75 -1.38 -1.57 115.11 121.68 2x17 h GLN 13 Ca 0.10 -0.20 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2x17 h GLN 13 Cb 0.77 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.30 2x17 h GLN 13 CO 0.06 0.81 0.53 1.25 -2.65 0.00 0.00 178.83 178.83 2x17 h LEU 14 N 0.21 0.85 -0.76 -2.39 6.46 -1.20 -0.30 115.31 118.18 2x17 h LEU 14 Ca -0.01 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 2x17 h LEU 14 Cb 1.12 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 2x17 h LEU 14 CO 0.10 0.56 -0.23 -1.13 -0.62 0.00 0.00 178.44 177.12 2x17 h ASN 15 N 0.99 0.69 -0.54 1.25 -0.73 -1.22 -2.46 115.58 113.57 2x17 h ASN 15 Ca 0.35 -0.25 -0.10 0.00 1.87 0.00 0.00 56.30 58.18 2x17 h ASN 15 Cb 0.10 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 2x17 h ASN 15 CO -0.15 0.91 -0.02 0.03 -0.37 0.00 0.00 177.43 177.83 2x17 h ARG 16 N 0.60 1.00 -0.24 6.67 3.08 -0.51 -0.07 114.38 124.91 2x17 h ARG 16 Ca 0.08 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 2x17 h ARG 16 Cb 0.72 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2x17 h ARG 16 CO 0.06 0.99 -0.40 0.93 -1.07 0.00 0.00 179.97 180.48 2x17 h GLU 17 N 0.91 0.55 -0.25 0.04 4.39 -1.05 -0.67 114.58 118.50 2x17 h GLU 17 Ca 0.16 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 2x17 h GLU 17 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2x17 h GLU 17 CO 0.03 0.86 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.25 2x17 h LEU 18 N 0.46 0.66 -0.59 1.33 3.38 -1.23 -2.13 115.31 117.19 2x17 h LEU 18 Ca 0.04 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 2x17 h LEU 18 Cb 0.90 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2x17 h LEU 18 CO 0.08 1.00 -0.31 0.22 0.09 0.00 0.00 178.44 179.52 2x17 h TYR 19 N 0.50 0.92 -0.95 1.13 3.20 -0.89 -2.25 116.97 118.64 2x17 h TYR 19 Ca 0.04 -0.24 0.05 0.00 3.14 0.00 0.00 58.73 61.72 2x17 h TYR 19 Cb 0.94 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 2x17 h TYR 19 CO 0.04 1.00 0.61 0.77 -1.64 0.00 0.00 178.16 178.94 2x17 h SER 20 N 0.67 0.99 -0.88 -2.11 0.02 -0.98 0.32 113.55 111.58 2x17 h SER 20 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2x17 h SER 20 Cb 0.85 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2x17 h SER 20 CO 0.07 0.65 0.45 0.00 -1.14 0.00 0.00 176.83 176.86 2x17 h ALA 21 N 1.42 1.13 -0.11 3.77 0.00 -1.22 -2.36 119.26 121.89 2x17 h ALA 21 Ca 0.40 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 2x17 h ALA 21 Cb 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2x17 h ALA 21 CO -0.15 0.67 -0.74 -0.92 0.00 0.00 0.00 179.25 178.10 2x17 h TYR 22 N 1.24 0.73 -0.49 0.00 -0.00 -0.62 -2.10 116.97 115.72 2x17 h TYR 22 Ca 0.30 -0.32 -0.05 0.00 -0.00 0.00 0.00 58.73 58.67 2x17 h TYR 22 Cb 0.08 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 36.67 2x17 h TYR 22 CO 0.01 1.10 0.12 1.25 -0.00 0.00 0.00 178.16 180.64 2x17 h LEU 23 N 0.37 0.75 -0.96 2.82 5.85 -0.33 -0.38 115.31 123.43 2x17 h LEU 23 Ca -0.04 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 2x17 h LEU 23 Cb 1.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2x17 h LEU 23 CO 0.14 0.79 -0.52 1.88 -0.34 0.00 0.00 178.44 180.39 2x17 h TYR 24 N 0.67 0.00 -0.09 1.25 0.05 -1.43 0.86 116.97 118.28 2x17 h TYR 24 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 2x17 h TYR 24 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 2x17 h TYR 24 CO 0.02 0.52 -0.49 0.35 -1.05 0.00 0.00 178.16 177.51 2x17 h PHE 25 N 0.00 0.29 -0.21 4.88 -0.00 -1.18 0.11 116.94 120.82 2x17 h PHE 25 Ca -0.01 -0.09 -0.16 0.00 -0.00 0.00 0.00 57.97 57.71 2x17 h PHE 25 Cb 0.92 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.81 2x17 h PHE 25 CO 0.00 0.68 -0.53 0.00 -0.00 0.00 0.00 178.31 178.46 2x17 h ALA 26 N 1.30 0.67 -0.21 2.41 0.00 -0.51 -2.42 119.26 120.51 2x17 h ALA 26 Ca 0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2x17 h ALA 26 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2x17 h ALA 26 CO 0.08 0.68 -0.41 0.52 0.00 0.00 0.00 179.25 180.12 2x17 h MET 27 N 0.48 0.48 -0.77 0.00 2.86 -0.63 -2.17 114.93 115.18 2x17 h MET 27 Ca 0.01 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2x17 h MET 27 Cb 1.08 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 2x17 h MET 27 CO 0.10 0.81 0.47 0.00 1.06 0.00 0.00 176.91 179.36 2x17 h ALA 28 N 1.16 0.99 -0.57 6.32 0.00 -0.71 -1.16 119.26 125.29 2x17 h ALA 28 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2x17 h ALA 28 Cb 0.89 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2x17 h ALA 28 CO 0.08 0.45 0.27 0.00 0.00 0.00 0.00 179.25 180.04 2x17 h ALA 29 N 1.25 0.73 -0.68 0.00 0.00 -1.24 -0.73 119.26 118.59 2x17 h ALA 29 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2x17 h ALA 29 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2x17 h ALA 29 CO -0.05 0.30 0.29 -0.92 0.00 0.00 0.00 179.25 178.87 2x17 h TYR 30 N 0.77 1.03 -0.01 0.00 3.20 -1.06 -2.08 116.97 118.82 2x17 h TYR 30 Ca 0.19 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 2x17 h TYR 30 Cb 0.13 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2x17 h TYR 30 CO -0.00 0.79 -0.66 0.74 -1.64 0.00 0.00 178.16 177.38 2x17 h PHE 31 N 0.97 0.07 -0.38 -3.82 0.04 -1.10 -3.08 116.94 109.63 2x17 h PHE 31 Ca 0.23 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.86 2x17 h PHE 31 Cb 0.18 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2x17 h PHE 31 CO 0.01 0.70 -0.21 1.49 -0.60 0.00 0.00 178.31 179.71 2x17 h GLU 32 N 0.04 0.75 -0.66 1.51 4.57 -0.91 0.05 114.58 119.92 2x17 h GLU 32 Ca -0.01 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 2x17 h GLU 32 Cb 1.18 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 2x17 h GLU 32 CO 0.09 0.89 0.17 0.22 -1.18 0.00 0.00 179.01 179.21 2x17 h ASP 33 N 0.66 0.96 0.20 1.04 3.58 -1.33 -1.74 116.42 119.79 2x17 h ASP 33 Ca 0.10 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2x17 h ASP 33 Cb 0.70 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2x17 h ASP 33 CO 0.05 0.92 0.00 0.18 -2.88 0.00 0.00 179.24 177.51 2x17 n LEU 34 N -4.25 0.00 -0.20 2.28 4.77 -1.16 -4.87 117.00 113.57 2x17 n LEU 34 Ca 0.05 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 2x17 n LEU 34 Cb 0.24 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2x17 n LEU 34 CO 0.41 -0.03 -0.02 0.61 -1.33 0.00 0.00 177.39 177.03 2x17 n GLY 35 N 0.59 0.54 3.34 -0.72 0.00 -0.66 -5.00 105.19 103.29 2x17 n GLY 35 Ca 0.15 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.75 2x17 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x17 s LEU 36 N -0.58 6.62 0.23 0.99 1.43 -0.01 -4.90 118.68 122.46 2x17 s LEU 36 Ca 0.00 -2.73 0.02 0.00 -1.03 0.00 0.00 54.13 50.40 2x17 s LEU 36 Cb 0.00 -2.22 0.22 0.00 0.03 0.00 0.00 46.19 44.22 2x17 s LEU 36 CO 0.00 -0.58 1.55 -0.33 0.23 0.00 0.00 176.35 177.22 2x17 h GLU 37 N 7.75 0.33 -0.19 1.70 5.08 -1.91 -2.42 114.58 124.93 2x17 h GLU 37 Ca 0.12 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2x17 h GLU 37 Cb 1.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2x17 h GLU 37 CO 0.79 0.81 0.05 0.78 -1.00 0.00 0.00 179.01 180.45 2x17 h GLY 38 N 1.33 0.32 1.02 -3.84 0.00 -1.90 0.68 103.07 100.68 2x17 h GLY 38 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2x17 h GLY 38 CO 0.09 0.18 0.34 0.74 0.00 0.00 0.00 176.54 177.90 2x17 h PHE 39 N 0.12 1.08 -0.18 5.60 -1.00 -1.77 -1.99 116.94 118.81 2x17 h PHE 39 Ca 0.06 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2x17 h PHE 39 Cb 0.25 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2x17 h PHE 39 CO 0.01 0.80 0.03 0.00 -1.61 0.00 0.00 178.31 177.54 2x17 h ALA 40 N 1.17 0.23 -0.73 2.45 0.00 -1.26 -1.93 119.26 119.20 2x17 h ALA 40 Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2x17 h ALA 40 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2x17 h ALA 40 CO -0.03 -0.10 0.37 -0.91 0.00 0.00 0.00 179.25 178.58 2x17 h ASN 41 N 0.08 0.94 -0.61 0.00 2.35 -0.84 -1.26 115.58 116.24 2x17 h ASN 41 Ca 0.05 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2x17 h ASN 41 Cb 0.30 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2x17 h ASN 41 CO 0.00 0.79 0.32 -0.25 -1.65 0.00 0.00 177.43 176.64 2x17 h TRP 42 N 1.02 0.58 -0.23 1.19 7.01 -1.29 -0.69 115.95 123.54 2x17 h TRP 42 Ca 0.25 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.16 2x17 h TRP 42 Cb 0.08 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2x17 h TRP 42 CO 0.00 0.26 -0.35 0.52 -2.79 0.00 0.00 178.44 176.09 2x17 h MET 43 N 0.59 0.49 -0.50 2.65 2.86 -0.93 -0.32 114.93 119.77 2x17 h MET 43 Ca 0.28 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2x17 h MET 43 Cb 0.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2x17 h MET 43 CO -0.19 0.77 -0.06 0.87 1.06 0.00 0.00 176.91 179.36 2x17 h LYS 44 N 0.42 0.92 -0.55 1.72 1.57 -0.89 0.02 116.57 119.78 2x17 h LYS 44 Ca 0.05 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 2x17 h LYS 44 Cb 0.80 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2x17 h LYS 44 CO 0.07 0.98 -0.01 0.00 -0.57 0.00 0.00 179.45 179.91 2x17 h ALA 45 N 0.92 0.94 -0.52 3.86 0.00 -0.92 -1.95 119.26 121.58 2x17 h ALA 45 Ca 0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2x17 h ALA 45 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2x17 h ALA 45 CO 0.04 0.63 -0.11 0.37 0.00 0.00 0.00 179.25 180.18 2x17 h GLN 46 N 0.87 0.98 -0.76 0.00 5.75 -0.94 -2.92 115.11 118.09 2x17 h GLN 46 Ca 0.16 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2x17 h GLN 46 Cb 0.53 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 2x17 h GLN 46 CO 0.03 1.03 0.41 0.00 -2.65 0.00 0.00 178.83 177.65 2x17 h ALA 47 N 0.99 1.30 -0.54 3.38 0.00 -0.70 -2.43 119.26 121.25 2x17 h ALA 47 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2x17 h ALA 47 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2x17 h ALA 47 CO 0.05 0.57 0.10 0.93 0.00 0.00 0.00 179.25 180.90 2x17 h GLU 48 N 1.06 0.85 -0.64 0.00 5.08 -1.24 -2.61 114.58 117.09 2x17 h GLU 48 Ca 0.27 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2x17 h GLU 48 Cb 0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2x17 h GLU 48 CO -0.04 0.78 0.15 0.93 -1.00 0.00 0.00 179.01 179.83 2x17 h GLU 49 N 0.81 1.00 -0.23 2.33 4.39 -1.26 -2.51 114.58 119.12 2x17 h GLU 49 Ca 0.17 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2x17 h GLU 49 Cb 0.34 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2x17 h GLU 49 CO 0.00 0.89 -0.21 0.93 -1.16 0.00 0.00 179.01 179.46 2x17 h GLU 50 N 0.95 0.41 -0.61 2.33 4.39 -1.19 -1.67 114.58 119.19 2x17 h GLU 50 Ca 0.20 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2x17 h GLU 50 Cb 0.34 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2x17 h GLU 50 CO 0.00 0.60 0.21 0.82 -1.16 0.00 0.00 179.01 179.49 2x17 h ILE 51 N 0.37 1.23 -0.69 3.13 2.04 -1.18 -2.32 117.51 120.08 2x17 h ILE 51 Ca 0.06 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 2x17 h ILE 51 Cb 0.58 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2x17 h ILE 51 CO 0.04 0.29 0.19 1.23 0.00 0.00 0.00 178.15 179.90 2x17 h GLY 52 N 1.00 1.18 1.14 5.37 0.00 -0.91 -1.84 103.07 109.01 2x17 h GLY 52 Ca 0.20 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2x17 h GLY 52 CO -0.01 0.67 0.51 0.45 0.00 0.00 0.00 176.54 178.16 2x17 h HIS 53 N 1.03 1.11 -0.43 5.60 3.86 -1.10 -1.81 115.15 123.42 2x17 h HIS 53 Ca 0.22 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.32 2x17 h HIS 53 Cb 0.34 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2x17 h HIS 53 CO 0.03 0.73 -0.19 0.00 0.86 0.00 0.00 177.93 179.36 2x17 h ALA 54 N 1.40 0.85 -0.01 2.45 0.00 -1.10 -2.80 119.26 120.06 2x17 h ALA 54 Ca 0.30 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2x17 h ALA 54 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2x17 h ALA 54 CO -0.06 0.64 -0.39 -0.07 0.00 0.00 0.00 179.25 179.38 2x17 h LEU 55 N 0.73 0.02 -0.65 0.00 3.38 -0.95 -1.44 115.31 116.40 2x17 h LEU 55 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2x17 h LEU 55 Cb 0.72 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2x17 h LEU 55 CO 0.06 0.40 -0.28 0.03 0.09 0.00 0.00 178.44 178.73 2x17 h ARG 56 N 0.01 0.75 -0.31 1.13 3.08 -1.09 0.10 114.38 118.05 2x17 h ARG 56 Ca -0.00 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 2x17 h ARG 56 Cb 0.69 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2x17 h ARG 56 CO 0.05 0.94 -0.24 0.74 -1.07 0.00 0.00 179.97 180.39 2x17 h PHE 57 N 0.64 0.84 -0.28 3.04 0.04 -1.32 -1.90 116.94 118.00 2x17 h PHE 57 Ca 0.08 -0.24 0.06 0.00 2.80 0.00 0.00 57.97 60.67 2x17 h PHE 57 Cb 0.80 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.71 2x17 h PHE 57 CO 0.04 0.97 -0.12 -0.92 -0.60 0.00 0.00 178.31 177.68 2x17 h TYR 58 N 0.46 -0.30 -0.58 -0.55 5.03 -1.05 -0.54 116.97 119.45 2x17 h TYR 58 Ca 0.06 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.33 2x17 h TYR 58 Cb 0.80 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 2x17 h TYR 58 CO 0.07 -0.19 0.09 -0.91 -1.32 0.00 0.00 178.16 175.90 2x17 h ASN 59 N -0.08 0.93 -0.46 -2.11 2.35 -0.79 -2.91 115.58 112.50 2x17 h ASN 59 Ca 0.14 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 2x17 h ASN 59 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2x17 h ASN 59 CO -0.33 0.95 -0.11 0.22 -1.65 0.00 0.00 177.43 176.51 2x17 h TYR 60 N 0.86 1.00 -0.53 1.19 3.20 -1.13 -1.76 116.97 119.79 2x17 h TYR 60 Ca 0.18 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.88 2x17 h TYR 60 Cb 0.42 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2x17 h TYR 60 CO 0.03 0.98 0.27 0.82 -1.64 0.00 0.00 178.16 178.62 2x17 h ILE 61 N 0.73 0.95 0.00 1.81 2.04 -1.05 -1.70 117.51 120.29 2x17 h ILE 61 Ca 0.12 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2x17 h ILE 61 Cb 0.66 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2x17 h ILE 61 CO 0.05 0.09 -0.08 1.88 0.00 0.00 0.00 178.15 180.09 2x17 h TYR 62 N 0.52 0.00 0.00 1.37 0.05 -1.47 0.18 116.97 117.61 2x17 h TYR 62 Ca 0.24 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.91 2x17 h TYR 62 Cb 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 2x17 h TYR 62 CO -0.10 0.08 -0.48 -0.44 -1.05 0.00 0.00 178.16 176.16 2x17 h ASP 63 N 0.00 0.00 -0.56 3.88 3.32 -0.46 -3.01 116.42 119.58 2x17 h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x17 h ASP 63 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2x17 h ASP 63 CO 0.01 0.48 0.00 0.54 -1.72 0.00 0.00 179.24 178.55 2x17 n ARG 64 N -3.84 4.11 -1.84 3.56 5.12 -0.75 -4.92 116.66 118.09 2x17 n ARG 64 Ca -0.01 -2.78 -0.16 0.00 -1.93 0.00 0.00 57.85 52.97 2x17 n ARG 64 Cb 0.52 -2.05 -0.04 0.00 -1.16 0.00 0.00 32.46 29.73 2x17 n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2x17 n ASN 65 N 0.78 -4.87 -2.87 0.55 5.15 -1.14 -4.04 115.26 108.84 2x17 n ASN 65 Ca 0.25 0.21 -0.10 0.00 -0.60 0.00 0.00 54.58 54.34 2x17 n ASN 65 Cb 0.99 -3.87 0.06 0.00 -0.53 0.00 0.00 39.78 36.43 2x17 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x17 n GLY 66 N -1.01 -0.25 2.85 8.20 0.00 0.60 -4.94 105.19 110.64 2x17 n GLY 66 Ca -0.17 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 2x17 n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x17 s ARG 67 N -3.77 1.02 -0.02 1.61 6.06 -1.26 -4.48 118.95 118.10 2x17 s ARG 67 Ca 0.27 -0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.13 2x17 s ARG 67 Cb -0.01 -1.18 -0.03 0.00 0.06 0.00 0.00 34.95 33.78 2x17 s ARG 67 CO 0.19 -0.24 1.09 0.08 -2.50 0.00 0.00 175.30 173.92 2x17 s VAL 68 N 1.64 4.51 -0.16 7.11 1.01 -1.26 -5.01 120.40 128.24 2x17 s VAL 68 Ca 0.01 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.81 2x17 s VAL 68 Cb -0.13 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2x17 s VAL 68 CO -0.05 0.09 -0.17 -0.70 0.00 0.00 0.00 175.10 174.27 2x17 s GLU 69 N 1.46 2.57 -0.23 2.72 2.12 -1.26 -5.11 118.70 120.96 2x17 s GLU 69 Ca 0.54 -0.67 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 2x17 s GLU 69 Cb -0.23 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2x17 s GLU 69 CO 0.25 -0.20 0.73 -0.51 -0.54 0.00 0.00 175.26 174.99 2x17 s LEU 70 N 1.34 4.09 0.73 2.70 1.43 -1.26 -4.93 118.68 122.79 2x17 s LEU 70 Ca 0.03 0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 2x17 s LEU 70 Cb -0.13 -3.03 0.11 0.00 0.03 0.00 0.00 46.19 43.17 2x17 s LEU 70 CO -0.10 -0.42 1.01 -1.81 0.23 0.00 0.00 176.35 175.26 2x17 s ASP 71 N 1.34 4.39 0.58 2.29 1.01 -1.26 -5.07 116.67 119.96 2x17 s ASP 71 Ca 0.31 -0.06 -0.18 0.00 0.71 0.00 0.00 52.55 53.33 2x17 s ASP 71 Cb -0.16 -0.40 -0.04 0.00 1.01 0.00 0.00 42.92 43.34 2x17 s ASP 71 CO 0.09 -1.83 1.14 -1.83 0.21 0.00 0.00 175.17 172.94 2x17 s GLU 72 N -5.22 3.14 -0.37 8.23 -1.05 -1.26 -5.03 118.70 117.15 2x17 s GLU 72 Ca 0.65 1.59 -0.10 0.00 -0.15 0.00 0.00 54.97 56.96 2x17 s GLU 72 Cb -0.07 -1.98 0.03 0.00 -0.44 0.00 0.00 34.13 31.67 2x17 s GLU 72 CO 0.45 -1.02 0.19 0.42 0.95 0.00 0.00 175.26 176.25 2x17 s ILE 73 N -1.89 4.50 0.83 1.83 1.01 -1.26 -5.07 121.20 121.16 2x17 s ILE 73 Ca 0.72 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2x17 s ILE 73 Cb -0.24 -3.50 0.10 0.00 0.01 0.00 0.00 42.46 38.83 2x17 s ILE 73 CO 0.32 -0.21 1.13 -2.16 0.00 0.00 0.00 174.94 174.02 2x17 s PRO 74 N 1.54 1.65 0.09 2.79 0.04 -1.26 -4.95 135.00 134.90 2x17 s PRO 74 Ca 0.02 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 2x17 s PRO 74 Cb -0.19 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2x17 s PRO 74 CO 0.06 -2.14 1.48 0.21 0.04 0.00 0.00 177.00 176.66 2x17 s LYS 75 N -4.66 4.27 0.64 4.56 2.20 -1.26 -5.02 119.74 120.46 2x17 s LYS 75 Ca 0.65 2.16 -0.10 0.00 -0.36 0.00 0.00 55.97 58.32 2x17 s LYS 75 Cb -0.21 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2x17 s LYS 75 CO 0.55 -0.56 1.02 -1.25 -0.36 0.00 0.00 175.35 174.75 2x17 s PRO 76 N 1.75 3.28 0.44 4.03 0.04 -1.26 -5.04 135.00 138.24 2x17 s PRO 76 Ca 0.67 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 2x17 s PRO 76 Cb -0.37 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2x17 s PRO 76 CO 0.30 -0.72 1.42 -2.30 0.04 0.00 0.00 177.00 175.74 2x17 n PRO 77 N -2.79 2.25 -0.04 0.56 -0.02 -1.26 -4.97 135.00 128.72 2x17 n PRO 77 Ca 0.06 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 2x17 n PRO 77 Cb 0.55 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 2x17 n PRO 77 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2x17 h LYS 78 N 2.32 0.11 -5.45 -0.52 3.64 -1.96 -3.45 116.57 111.26 2x17 h LYS 78 Ca -0.50 -0.19 -0.42 0.00 -1.27 0.00 0.00 60.65 58.26 2x17 h LYS 78 Cb 1.27 0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.97 2x17 h LYS 78 CO 0.61 1.09 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.90 2x17 s GLU 79 N -2.36 0.96 0.12 1.90 2.02 -1.26 -4.70 118.70 115.38 2x17 s GLU 79 Ca -0.21 -1.14 0.07 0.00 0.02 0.00 0.00 54.97 53.71 2x17 s GLU 79 Cb 0.02 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 2x17 s GLU 79 CO 0.71 0.19 -0.16 -1.58 0.02 0.00 0.00 175.26 174.43 2x17 s TRP 80 N -1.79 1.51 0.17 1.61 0.51 -1.26 -5.08 118.94 114.62 2x17 s TRP 80 Ca 0.05 -0.51 -0.14 0.00 -2.12 0.00 0.00 56.10 53.38 2x17 s TRP 80 Cb -0.07 -0.79 0.05 0.00 -0.81 0.00 0.00 33.47 31.85 2x17 s TRP 80 CO 0.03 0.18 1.80 0.93 -0.51 0.00 0.00 176.95 179.38 2x17 h GLU 81 N 3.61 0.69 -3.85 4.98 5.08 -2.01 -3.46 114.58 119.62 2x17 h GLU 81 Ca -0.41 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 2x17 h GLU 81 Cb 1.20 -0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 2x17 h GLU 81 CO 0.48 0.51 -0.37 -1.54 -1.00 0.00 0.00 179.01 177.09 2x17 s SER 82 N -5.75 0.11 0.42 1.42 1.04 -1.26 -5.01 113.70 104.67 2x17 s SER 82 Ca -0.13 -0.74 0.18 0.00 0.48 0.00 0.00 55.95 55.74 2x17 s SER 82 Cb 0.12 0.36 1.09 0.00 0.10 0.00 0.00 66.02 67.69 2x17 s SER 82 CO 0.75 -0.77 1.84 -0.65 0.98 0.00 0.00 173.24 175.39 2x17 h PRO 83 N 2.70 0.39 -0.34 4.02 0.11 -2.00 -0.97 132.00 135.90 2x17 h PRO 83 Ca -0.33 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2x17 h PRO 83 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2x17 h PRO 83 CO 0.54 0.26 0.15 1.25 -0.21 0.00 0.00 178.00 179.98 2x17 h LEU 84 N 0.40 0.47 -1.33 2.35 5.85 -1.96 -2.78 115.31 118.31 2x17 h LEU 84 Ca 0.49 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2x17 h LEU 84 Cb 1.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2x17 h LEU 84 CO -0.19 0.49 -0.18 0.11 -0.34 0.00 0.00 178.44 178.33 2x17 h LYS 85 N 0.41 0.00 -0.19 1.25 1.79 -1.62 -1.80 116.57 116.41 2x17 h LYS 85 Ca 0.12 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.40 2x17 h LYS 85 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2x17 h LYS 85 CO -0.01 0.18 -0.63 0.00 -1.08 0.00 0.00 179.45 177.90 2x17 h ALA 86 N 1.82 0.52 0.00 3.86 0.00 -1.13 -2.67 119.26 121.66 2x17 h ALA 86 Ca -0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 2x17 h ALA 86 Cb 0.63 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2x17 h ALA 86 CO 0.02 0.70 -0.80 0.74 0.00 0.00 0.00 179.25 179.91 2x17 h PHE 87 N 0.51 0.00 -0.60 0.00 0.04 -1.23 -1.65 116.94 114.00 2x17 h PHE 87 Ca -0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2x17 h PHE 87 Cb 1.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 2x17 h PHE 87 CO 0.06 0.80 0.12 0.93 -0.60 0.00 0.00 178.31 179.62 2x17 h GLU 88 N 0.00 0.96 0.00 1.51 5.08 -1.36 0.11 114.58 120.87 2x17 h GLU 88 Ca -0.01 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 2x17 h GLU 88 Cb 1.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2x17 h GLU 88 CO 0.10 0.87 -0.70 0.00 -1.00 0.00 0.00 179.01 178.28 2x17 h ALA 89 N 1.22 0.84 -0.25 3.43 0.00 -1.43 -1.87 119.26 121.19 2x17 h ALA 89 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2x17 h ALA 89 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2x17 h ALA 89 CO 0.00 0.88 -0.52 0.00 0.00 0.00 0.00 179.25 179.62 2x17 h ALA 90 N 1.30 0.62 -0.15 0.00 0.00 -0.89 -1.99 119.26 118.14 2x17 h ALA 90 Ca -0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2x17 h ALA 90 Cb 1.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2x17 h ALA 90 CO 0.09 0.68 -0.76 -0.92 0.00 0.00 0.00 179.25 178.34 2x17 h TYR 91 N 0.55 1.00 -0.62 0.00 3.20 -0.78 -1.70 116.97 118.63 2x17 h TYR 91 Ca 0.02 -0.44 -0.04 0.00 3.14 0.00 0.00 58.73 61.42 2x17 h TYR 91 Cb 1.08 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2x17 h TYR 91 CO 0.06 1.26 0.24 1.49 -1.64 0.00 0.00 178.16 179.56 2x17 h GLU 92 N 0.51 0.90 -0.13 1.82 4.81 -1.36 -2.18 114.58 118.94 2x17 h GLU 92 Ca -0.05 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 2x17 h GLU 92 Cb 1.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2x17 h GLU 92 CO 0.15 0.74 -0.63 1.25 -0.73 0.00 0.00 179.01 179.80 2x17 h HIS 93 N 0.89 0.63 -0.34 0.92 2.76 -1.28 -2.39 115.15 116.33 2x17 h HIS 93 Ca 0.21 -0.24 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 2x17 h HIS 93 Cb 0.18 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2x17 h HIS 93 CO 0.01 0.98 -0.11 0.93 -1.30 0.00 0.00 177.93 178.44 2x17 h GLU 94 N 0.36 0.58 0.00 5.26 4.39 -1.04 -0.85 114.58 123.27 2x17 h GLU 94 Ca -0.01 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 2x17 h GLU 94 Cb 1.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2x17 h GLU 94 CO 0.11 0.69 -0.46 0.87 -1.16 0.00 0.00 179.01 179.06 2x17 h LYS 95 N 0.53 0.00 -0.38 2.33 1.57 -1.34 -1.68 116.57 117.60 2x17 h LYS 95 Ca 0.10 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2x17 h LYS 95 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2x17 h LYS 95 CO 0.03 0.46 -0.29 0.35 -0.57 0.00 0.00 179.45 179.43 2x17 h PHE 96 N 0.00 1.02 -0.44 -1.35 3.57 -0.84 -1.38 116.94 117.53 2x17 h PHE 96 Ca -0.00 -0.28 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 2x17 h PHE 96 Cb 0.83 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2x17 h PHE 96 CO 0.00 1.08 -0.07 0.82 -2.23 0.00 0.00 178.31 177.91 2x17 h ILE 97 N 0.67 1.27 -0.77 1.41 1.08 -1.07 -2.20 117.51 117.90 2x17 h ILE 97 Ca 0.07 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.35 2x17 h ILE 97 Cb 0.86 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 2x17 h ILE 97 CO 0.08 0.39 0.34 0.28 -0.69 0.00 0.00 178.15 178.55 2x17 h SER 98 N 0.66 1.04 -0.63 1.72 0.02 -1.29 -1.51 113.55 113.56 2x17 h SER 98 Ca 0.12 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2x17 h SER 98 Cb 0.59 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2x17 h SER 98 CO 0.04 0.90 0.06 0.50 -1.14 0.00 0.00 176.83 177.18 2x17 h LYS 99 N 1.11 1.07 0.00 3.45 3.64 -1.11 -0.09 116.57 124.64 2x17 h LYS 99 Ca 0.26 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2x17 h LYS 99 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2x17 h LYS 99 CO -0.03 1.01 -0.31 0.66 -2.27 0.00 0.00 179.45 178.51 2x17 h SER 100 N 0.98 0.00 -0.20 4.20 4.64 -1.22 -1.84 113.55 120.11 2x17 h SER 100 Ca 0.19 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.35 2x17 h SER 100 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2x17 h SER 100 CO 0.02 0.31 -0.49 0.40 -0.87 0.00 0.00 176.83 176.20 2x17 h ILE 101 N 0.00 1.31 -0.75 0.95 1.08 -0.76 -2.63 117.51 116.71 2x17 h ILE 101 Ca -0.00 -1.72 -0.02 0.00 -0.39 0.00 0.00 64.86 62.73 2x17 h ILE 101 Cb 0.75 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.33 2x17 h ILE 101 CO 0.04 0.54 0.39 1.88 -0.69 0.00 0.00 178.15 180.31 2x17 h TYR 102 N 0.39 1.05 0.00 1.37 0.05 -0.77 -1.44 116.97 117.62 2x17 h TYR 102 Ca -0.01 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 2x17 h TYR 102 Cb 1.11 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2x17 h TYR 102 CO 0.09 0.75 -0.27 0.93 -1.05 0.00 0.00 178.16 178.61 2x17 h GLU 103 N 1.04 0.00 -0.16 4.88 5.08 -1.38 -0.25 114.58 123.80 2x17 h GLU 103 Ca 0.26 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.41 2x17 h GLU 103 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2x17 h GLU 103 CO -0.04 0.27 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.45 2x17 h LEU 104 N 0.00 0.90 -0.70 1.33 3.38 -1.06 -2.41 115.31 116.74 2x17 h LEU 104 Ca -0.00 -0.62 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 2x17 h LEU 104 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2x17 h LEU 104 CO 0.03 1.38 -0.26 0.00 0.09 0.00 0.00 178.44 179.68 2x17 h ALA 105 N 0.55 0.88 -0.22 1.53 0.00 -0.90 -1.41 119.26 119.70 2x17 h ALA 105 Ca -0.05 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 105 Cb 1.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2x17 h ALA 105 CO 0.15 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.62 2x17 h ALA 106 N 1.09 0.90 -0.23 0.00 0.00 -1.11 -2.04 119.26 117.86 2x17 h ALA 106 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2x17 h ALA 106 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2x17 h ALA 106 CO 0.06 0.64 -0.51 1.25 0.00 0.00 0.00 179.25 180.69 2x17 h LEU 107 N 0.42 0.72 -0.75 0.00 5.85 -1.30 -2.22 115.31 118.04 2x17 h LEU 107 Ca 0.04 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.27 2x17 h LEU 107 Cb 0.89 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2x17 h LEU 107 CO 0.08 1.10 -0.28 0.00 -0.34 0.00 0.00 178.44 179.00 2x17 h ALA 108 N 0.92 0.92 -0.03 1.25 0.00 -1.14 -2.02 119.26 119.16 2x17 h ALA 108 Ca 0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2x17 h ALA 108 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2x17 h ALA 108 CO 0.10 0.62 -0.72 0.93 0.00 0.00 0.00 179.25 180.18 2x17 h GLU 109 N 0.55 0.17 -0.13 0.00 5.08 -1.36 0.23 114.58 119.13 2x17 h GLU 109 Ca 0.07 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 2x17 h GLU 109 Cb 0.76 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2x17 h GLU 109 CO 0.06 0.82 -0.65 1.49 -1.00 0.00 0.00 179.01 179.72 2x17 h GLU 110 N 0.12 0.48 -0.01 2.33 4.81 -1.25 -3.07 114.58 118.00 2x17 h GLU 110 Ca -0.02 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2x17 h GLU 110 Cb 1.27 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2x17 h GLU 110 CO 0.11 0.97 -0.10 0.39 -0.73 0.00 0.00 179.01 179.65 2x17 n GLU 111 N -3.90 1.08 -3.53 1.92 1.02 -0.77 -4.94 120.64 111.52 2x17 n GLU 111 Ca -0.04 -0.52 -0.24 0.00 -0.02 0.00 0.00 57.16 56.34 2x17 n GLU 111 Cb 0.66 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.67 2x17 n GLU 111 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x17 n LYS 112 N -0.51 -7.45 -3.13 3.49 5.02 -0.95 -4.96 118.16 109.67 2x17 n LYS 112 Ca 0.16 0.83 -0.45 0.00 -2.02 0.00 0.00 58.31 56.83 2x17 n LYS 112 Cb 0.31 -5.85 -0.02 0.00 -0.02 0.00 0.00 35.03 29.44 2x17 n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x17 s ASP 113 N -3.23 6.70 0.29 4.39 -1.08 0.76 -4.89 116.67 119.61 2x17 s ASP 113 Ca 0.55 -2.38 0.08 0.00 -0.52 0.00 0.00 52.55 50.28 2x17 s ASP 113 Cb -0.25 -2.30 0.42 0.00 -1.46 0.00 0.00 42.92 39.33 2x17 s ASP 113 CO 0.68 -0.81 1.66 1.88 0.52 0.00 0.00 175.17 179.11 2x17 h TYR 114 N 8.28 0.17 -0.19 -5.34 -1.99 -1.93 -2.64 116.97 113.33 2x17 h TYR 114 Ca 0.13 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 2x17 h TYR 114 Cb 1.03 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 2x17 h TYR 114 CO 1.10 0.62 0.06 0.77 -0.00 0.00 0.00 178.16 180.70 2x17 h SER 115 N 0.11 0.27 -0.34 3.88 0.02 -1.96 -0.49 113.55 115.05 2x17 h SER 115 Ca 0.00 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 2x17 h SER 115 Cb 0.93 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2x17 h SER 115 CO 0.07 0.41 -0.31 0.74 -1.14 0.00 0.00 176.83 176.60 2x17 h THR 116 N 0.13 1.27 -0.64 -2.27 2.02 -1.96 -1.73 112.91 109.74 2x17 h THR 116 Ca 0.06 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 2x17 h THR 116 Cb 0.23 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2x17 h THR 116 CO -0.00 0.49 0.16 -0.09 0.37 0.00 0.00 175.52 176.45 2x17 h ARG 117 N 0.73 0.99 -0.06 6.66 9.65 -1.40 -0.34 114.38 130.61 2x17 h ARG 117 Ca 0.08 -0.22 -0.14 0.00 -1.10 0.00 0.00 59.98 58.60 2x17 h ARG 117 Cb 0.87 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 2x17 h ARG 117 CO 0.08 0.88 -0.60 0.00 2.80 0.00 0.00 179.97 183.12 2x17 h ALA 118 N 1.22 0.86 -0.38 2.80 0.00 -1.00 -3.10 119.26 119.67 2x17 h ALA 118 Ca 0.20 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2x17 h ALA 118 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2x17 h ALA 118 CO -0.00 0.73 -0.39 0.35 0.00 0.00 0.00 179.25 179.94 2x17 h PHE 119 N 0.16 1.14 0.00 0.00 3.57 -0.96 -3.15 116.94 117.70 2x17 h PHE 119 Ca -0.01 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2x17 h PHE 119 Cb 1.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2x17 h PHE 119 CO 0.02 1.18 0.00 -0.07 -2.23 0.00 0.00 178.31 177.21 2x17 h LEU 120 N 0.77 0.00 -1.81 0.59 3.38 -1.05 -3.09 115.31 114.10 2x17 h LEU 120 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2x17 h LEU 120 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2x17 h LEU 120 CO 0.10 0.00 -0.05 -0.08 0.09 0.00 0.00 178.44 178.50 2x17 h GLU 121 N 0.00 0.05 -0.53 1.13 4.57 -1.49 -1.64 114.58 116.67 2x17 h GLU 121 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2x17 h GLU 121 Cb 0.39 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2x17 h GLU 121 CO 0.00 0.11 0.24 2.35 -1.18 0.00 0.00 179.01 180.53 2x17 h TRP 122 N 0.05 0.77 -0.02 0.92 7.01 -1.73 -2.75 115.95 120.21 2x17 h TRP 122 Ca 0.01 -0.04 -0.17 0.00 2.11 0.00 0.00 58.89 60.79 2x17 h TRP 122 Cb 0.13 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 2x17 h TRP 122 CO 0.00 0.62 -0.78 0.74 -2.79 0.00 0.00 178.44 176.23 2x17 h PHE 123 N 0.71 0.22 -0.34 2.65 0.04 -1.53 -1.06 116.94 117.63 2x17 h PHE 123 Ca 0.18 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2x17 h PHE 123 Cb 0.15 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2x17 h PHE 123 CO -0.00 0.87 0.12 0.82 -0.60 0.00 0.00 178.31 179.52 2x17 h ILE 124 N 0.10 1.20 -0.13 -0.55 2.04 -1.33 0.14 117.51 118.98 2x17 h ILE 124 Ca -0.03 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 2x17 h ILE 124 Cb 1.36 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2x17 h ILE 124 CO 0.11 0.21 -0.38 0.78 0.00 0.00 0.00 178.15 178.88 2x17 h ASN 125 N 0.39 0.30 -0.26 1.72 2.35 -1.47 -3.16 115.58 115.44 2x17 h ASN 125 Ca 0.11 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2x17 h ASN 125 Cb 0.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2x17 h ASN 125 CO -0.01 0.66 -0.20 -0.08 -1.65 0.00 0.00 177.43 176.15 2x17 h GLU 126 N 0.24 0.60 0.00 0.81 4.22 -0.96 -3.21 114.58 116.28 2x17 h GLU 126 Ca 0.03 -0.29 -0.02 0.00 0.08 0.00 0.00 59.36 59.15 2x17 h GLU 126 Cb 0.78 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2x17 h GLU 126 CO 0.06 0.88 -0.09 1.96 -2.18 0.00 0.00 179.01 179.64 2x17 h GLN 127 N 0.32 0.00 -0.33 1.92 1.08 -0.97 -2.12 115.11 115.01 2x17 h GLN 127 Ca 0.05 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2x17 h GLN 127 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 2x17 h GLN 127 CO 0.05 0.09 0.02 0.28 -0.95 0.00 0.00 178.83 178.32 2x17 h VAL 128 N 0.00 1.25 -0.24 -0.54 2.07 -1.54 -1.68 116.25 115.56 2x17 h VAL 128 Ca -0.00 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2x17 h VAL 128 Cb 0.45 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2x17 h VAL 128 CO 0.01 0.30 0.08 -0.33 0.02 0.00 0.00 177.57 177.65 2x17 h GLU 129 N 0.38 0.38 -0.60 1.57 5.08 -1.46 -2.46 114.58 117.46 2x17 h GLU 129 Ca 0.10 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2x17 h GLU 129 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2x17 h GLU 129 CO 0.01 0.45 -0.02 0.93 -1.00 0.00 0.00 179.01 179.38 2x17 h GLU 130 N 0.23 1.08 -0.72 2.33 5.08 -1.41 0.11 114.58 121.27 2x17 h GLU 130 Ca 0.08 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2x17 h GLU 130 Cb 0.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2x17 h GLU 130 CO -0.00 1.06 0.20 0.93 -1.00 0.00 0.00 179.01 180.20 2x17 h GLU 131 N 0.98 1.14 -0.16 2.33 5.08 -1.34 -1.25 114.58 121.35 2x17 h GLU 131 Ca 0.17 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2x17 h GLU 131 Cb 0.59 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2x17 h GLU 131 CO 0.04 0.99 -0.43 0.00 -1.00 0.00 0.00 179.01 178.60 2x17 h ALA 132 N 1.10 0.96 -0.20 3.43 0.00 -1.18 -1.36 119.26 122.01 2x17 h ALA 132 Ca 0.23 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2x17 h ALA 132 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x17 h ALA 132 CO -0.00 0.63 -0.05 1.03 0.00 0.00 0.00 179.25 180.86 2x17 h SER 133 N 0.32 0.39 -0.33 0.00 0.87 -0.54 -2.00 113.55 112.26 2x17 h SER 133 Ca 0.03 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 60.07 2x17 h SER 133 Cb 0.89 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2x17 h SER 133 CO 0.07 0.66 -0.38 0.58 -0.53 0.00 0.00 176.83 177.24 2x17 h VAL 134 N 0.11 1.29 -0.68 2.23 2.07 -1.23 -3.20 116.25 116.82 2x17 h VAL 134 Ca 0.05 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 2x17 h VAL 134 Cb 0.49 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2x17 h VAL 134 CO 0.02 0.51 0.22 0.50 0.02 0.00 0.00 177.57 178.84 2x17 h LYS 135 N 0.61 1.04 -0.96 1.57 1.63 -1.28 -1.66 116.57 117.51 2x17 h LYS 135 Ca 0.05 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2x17 h LYS 135 Cb 0.97 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 2x17 h LYS 135 CO 0.09 0.88 0.63 -0.22 -3.45 0.00 0.00 179.45 177.38 2x17 h LYS 136 N 1.00 1.19 0.09 1.90 3.64 -1.36 -1.12 116.57 121.91 2x17 h LYS 136 Ca 0.22 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.28 2x17 h LYS 136 Cb 0.27 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x17 h LYS 136 CO -0.01 0.79 -1.14 0.82 -2.27 0.00 0.00 179.45 177.64 2x17 h ILE 137 N 1.23 1.48 -0.36 2.00 2.04 -1.54 -3.16 117.51 119.19 2x17 h ILE 137 Ca 0.38 -2.88 0.04 0.00 1.00 0.00 0.00 64.86 63.39 2x17 h ILE 137 Cb -0.02 2.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 2x17 h ILE 137 CO -0.12 0.84 0.15 0.25 0.00 0.00 0.00 178.15 179.28 2x17 h LEU 138 N 0.11 0.19 -1.54 1.44 6.46 -0.88 -2.30 115.31 118.80 2x17 h LEU 138 Ca -0.11 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 2x17 h LEU 138 Cb 1.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.76 2x17 h LEU 138 CO 0.19 0.15 -0.24 0.44 -0.62 0.00 0.00 178.44 178.35 2x17 h ASP 139 N 0.32 0.00 1.18 1.25 3.32 -1.29 -1.65 116.42 119.54 2x17 h ASP 139 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2x17 h ASP 139 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2x17 h ASP 139 CO -0.14 0.24 -0.27 0.11 -1.72 0.00 0.00 179.24 177.46 2x17 h LYS 140 N 0.00 0.00 0.00 3.56 1.57 -1.42 -2.07 116.57 118.21 2x17 h LYS 140 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2x17 h LYS 140 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2x17 h LYS 140 CO 0.03 0.27 -1.08 -0.07 -0.57 0.00 0.00 179.45 178.03 2x17 h LEU 141 N 0.00 0.00 -1.05 2.94 3.38 -0.79 -2.94 115.31 116.85 2x17 h LEU 141 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2x17 h LEU 141 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2x17 h LEU 141 CO 0.04 0.84 -0.47 0.11 0.09 0.00 0.00 178.44 179.04 2x17 h LYS 142 N 0.00 0.00 0.00 1.13 1.57 -1.29 -3.13 116.57 114.86 2x17 h LYS 142 Ca -0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2x17 h LYS 142 Cb 1.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 2x17 h LYS 142 CO 0.10 0.47 -0.28 0.35 -0.57 0.00 0.00 179.45 179.52 2x17 h PHE 143 N 0.00 0.00 -2.21 -1.35 3.57 -1.29 -3.33 116.94 112.32 2x17 h PHE 143 Ca -0.00 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.90 2x17 h PHE 143 Cb 0.84 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 39.16 2x17 h PHE 143 CO 0.00 0.28 -0.64 0.00 -2.23 0.00 0.00 178.31 175.73 2x17 n ALA 144 N -2.24 4.19 0.38 2.41 0.00 -1.12 -4.95 120.51 119.19 2x17 n ALA 144 Ca 0.00 -4.69 -0.15 0.00 0.00 0.00 0.00 53.44 48.61 2x17 n ALA 144 Cb 0.48 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 2x17 n ALA 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2x17 h LYS 145 N 3.74 -0.93 -0.47 0.00 1.57 -1.68 -3.31 116.57 115.48 2x17 h LYS 145 Ca 0.17 0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.76 2x17 h LYS 145 Cb 0.62 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 32.99 2x17 h LYS 145 CO 0.81 -0.62 0.01 -0.25 -0.57 0.00 0.00 179.45 178.83 2x17 n ASP 146 N -4.82 2.85 -4.08 0.86 8.00 -1.26 -4.93 116.55 113.16 2x17 n ASP 146 Ca -0.12 -3.78 -0.33 0.00 0.71 0.00 0.00 54.79 51.28 2x17 n ASP 146 Cb 0.38 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.67 2x17 n ASP 146 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2x17 s SER 147 N -2.41 4.79 0.48 -2.24 0.15 -1.25 -4.94 113.70 108.28 2x17 s SER 147 Ca 0.47 -1.78 0.29 0.00 0.70 0.00 0.00 55.95 55.62 2x17 s SER 147 Cb 0.42 -1.66 0.91 0.00 -1.71 0.00 0.00 66.02 63.98 2x17 s SER 147 CO 0.01 -0.34 1.81 -0.65 1.20 0.00 0.00 173.24 175.28 2x17 h PRO 148 N 7.79 0.00 -0.59 5.44 0.11 -1.92 -3.19 132.00 139.65 2x17 h PRO 148 Ca -0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 2x17 h PRO 148 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2x17 h PRO 148 CO 0.54 0.00 0.15 1.96 -0.21 0.00 0.00 178.00 180.43 2x17 h GLN 149 N 0.00 0.95 0.15 1.05 7.50 -1.99 -2.14 115.11 120.63 2x17 h GLN 149 Ca 0.00 -0.23 -0.31 0.00 0.50 0.00 0.00 58.65 58.62 2x17 h GLN 149 Cb 0.72 -0.13 0.03 0.00 0.05 0.00 0.00 27.48 28.16 2x17 h GLN 149 CO 0.00 0.87 -1.29 0.82 -1.50 0.00 0.00 178.83 177.73 2x17 h ILE 150 N 0.86 1.28 -0.53 2.54 2.04 -1.96 -3.03 117.51 118.71 2x17 h ILE 150 Ca 0.19 -2.50 0.06 0.00 1.00 0.00 0.00 64.86 63.60 2x17 h ILE 150 Cb 0.34 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 2x17 h ILE 150 CO 0.00 0.76 0.35 0.25 0.00 0.00 0.00 178.15 179.51 2x17 h LEU 151 N 0.25 0.43 -0.33 1.44 5.85 -1.55 0.22 115.31 121.62 2x17 h LEU 151 Ca -0.20 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2x17 h LEU 151 Cb 1.97 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2x17 h LEU 151 CO 0.25 0.28 -0.00 0.15 -0.34 0.00 0.00 178.44 178.77 2x17 h PHE 152 N 0.49 0.63 -0.07 1.25 3.57 -1.40 -2.41 116.94 119.00 2x17 h PHE 152 Ca 0.23 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 2x17 h PHE 152 Cb 0.28 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2x17 h PHE 152 CO -0.00 0.70 -0.59 0.52 -2.23 0.00 0.00 178.31 176.71 2x17 h MET 153 N 0.38 0.24 -0.52 1.11 2.86 -1.17 -2.91 114.93 114.92 2x17 h MET 153 Ca 0.09 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2x17 h MET 153 Cb 0.45 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2x17 h MET 153 CO 0.02 0.76 0.10 -0.07 1.06 0.00 0.00 176.91 178.78 2x17 h LEU 154 N 0.18 0.76 -1.31 1.22 3.38 -0.61 -2.61 115.31 116.32 2x17 h LEU 154 Ca -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2x17 h LEU 154 Cb 1.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2x17 h LEU 154 CO 0.09 0.76 0.15 -0.78 0.09 0.00 0.00 178.44 178.75 2x17 h ASP 155 N 0.78 0.56 0.17 -0.43 3.58 -1.23 -1.85 116.42 117.99 2x17 h ASP 155 Ca 0.17 -0.07 -0.19 0.00 0.42 0.00 0.00 57.03 57.35 2x17 h ASP 155 Cb 0.32 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2x17 h ASP 155 CO 0.00 0.53 -0.75 0.50 -2.88 0.00 0.00 179.24 176.65 2x17 h LYS 156 N 0.61 0.49 -0.38 0.28 3.64 -1.40 -2.34 116.57 117.48 2x17 h LYS 156 Ca 0.15 -0.41 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 2x17 h LYS 156 Cb 0.17 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2x17 h LYS 156 CO -0.01 1.04 -0.36 0.93 -2.27 0.00 0.00 179.45 178.77 2x17 h GLU 157 N 0.34 0.90 0.00 1.90 5.08 -1.19 -3.14 114.58 118.48 2x17 h GLU 157 Ca -0.04 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2x17 h GLU 157 Cb 1.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2x17 h GLU 157 CO 0.13 1.11 -0.00 -0.07 -1.00 0.00 0.00 179.01 179.18 2x17 h LEU 158 N 0.74 0.00 -1.12 1.33 3.38 -1.36 -3.14 115.31 115.14 2x17 h LEU 158 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x17 h LEU 158 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2x17 h LEU 158 CO 0.09 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.39 2x17 h SER 159 N 0.00 0.00 -0.15 -0.43 4.64 -1.36 -2.70 113.55 113.55 2x17 h SER 159 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2x17 h SER 159 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2x17 h SER 159 CO 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2x17 h ALA 160 N 2.15 1.48 -2.44 5.18 0.00 -1.67 -3.39 119.26 120.57 2x17 h ALA 160 Ca 0.00 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 54.13 2x17 h ALA 160 Cb 0.37 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 2x17 h ALA 160 CO 0.00 0.37 0.23 0.50 0.00 0.00 0.00 179.25 180.35 2x17 s ARG 161 N -4.95 4.13 0.08 0.00 3.52 -1.02 -5.06 118.95 115.65 2x17 s ARG 161 Ca -0.07 0.63 0.05 0.00 -0.13 0.00 0.00 55.73 56.21 2x17 s ARG 161 Cb 0.16 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2x17 s ARG 161 CO 0.75 -0.43 -0.13 0.00 -0.81 0.00 0.00 175.30 174.68 2x17 s ALA 162 N 2.57 1.11 0.39 6.12 0.00 -1.26 -3.42 121.76 127.26 2x17 s ALA 162 Ca 0.28 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 2x17 s ALA 162 Cb -0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 2x17 s ALA 162 CO 0.08 0.10 1.45 -1.25 0.00 0.00 0.00 175.76 176.14 2x17 s PRO 163 N -2.00 4.05 0.05 0.00 0.04 -1.26 -4.77 135.00 131.12 2x17 s PRO 163 Ca -0.01 2.49 0.22 0.00 0.04 0.00 0.00 61.00 63.74 2x17 s PRO 163 Cb -0.08 -2.91 -0.21 0.00 0.04 0.00 0.00 34.50 31.33 2x17 s PRO 163 CO 0.02 -0.55 0.69 1.63 0.04 0.00 0.00 177.00 178.83 2x17 n LYS 164 N 0.36 0.62 -0.03 4.56 5.02 -1.26 -4.51 118.16 122.92 2x17 n LYS 164 Ca 0.02 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 2x17 n LYS 164 Cb 0.40 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 2x17 n LYS 164 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2x17 h LEU 165 N 0.00 0.05 -0.99 -0.35 5.85 -1.99 -3.39 115.31 114.50 2x17 h LEU 165 Ca 0.00 -0.62 0.22 0.00 0.84 0.00 0.00 57.88 58.32 2x17 h LEU 165 Cb 0.98 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 41.81 2x17 h LEU 165 CO 0.00 0.66 -0.17 -0.65 -0.34 0.00 0.00 178.44 177.94 2x17 h PRO 166 N -0.55 0.00 -0.14 5.25 0.11 -2.01 0.23 132.00 134.89 2x17 h PRO 166 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2x17 h PRO 166 Cb 0.66 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2x17 h PRO 166 CO 0.01 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.21 2x17 n GLY 167 N -1.59 -0.63 0.01 -0.55 0.00 -1.26 -3.66 105.19 97.51 2x17 n GLY 167 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2x17 n GLY 167 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x17 n LEU 168 N -0.41 0.00 0.00 0.99 4.77 0.07 -5.04 117.00 117.38 2x17 n LEU 168 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2x17 n LEU 168 Cb 0.04 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2x17 n LEU 168 CO 0.00 0.02 0.00 0.18 -1.33 0.00 0.00 177.39 176.27 2x17 n LEU 169 N -1.78 0.00 -4.67 2.23 7.99 -1.24 -4.92 117.00 114.62 2x17 n LEU 169 Ca -0.02 0.00 -0.49 0.00 -0.01 0.00 0.00 56.01 55.49 2x17 n LEU 169 Cb 0.24 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.50 2x17 n LEU 169 CO 0.11 -0.20 1.51 0.80 -1.51 0.00 0.00 177.39 178.10 2x17 n MET 170 N -0.19 2.06 -0.36 3.23 1.56 -1.26 -5.13 117.12 117.02 2x17 n MET 170 Ca 0.00 0.74 0.00 0.00 -0.27 0.00 0.00 57.70 58.17 2x17 n MET 170 Cb 0.00 -2.62 0.00 0.00 2.15 0.00 0.00 33.22 32.75 2x17 n MET 170 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28