#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 4.25 0.60 4.03 1.43 -1.26 -5.03 118.68 122.71 2x17 s LEU 2 Ca 0.00 2.39 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 2x17 s LEU 2 Cb 0.00 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2x17 s LEU 2 CO 0.00 -0.62 1.07 -0.94 0.23 0.00 0.00 176.35 176.09 2x17 s SER 3 N -1.02 5.66 0.44 2.29 1.04 -1.26 -4.86 113.70 115.99 2x17 s SER 3 Ca 0.55 1.87 0.15 0.00 0.48 0.00 0.00 55.95 59.00 2x17 s SER 3 Cb -0.32 -2.54 1.06 0.00 0.10 0.00 0.00 66.02 64.33 2x17 s SER 3 CO 0.41 -1.25 1.97 -0.08 0.98 0.00 0.00 173.24 175.26 2x17 h GLU 4 N 0.40 0.37 -0.13 4.02 4.81 -2.00 -1.04 114.58 121.02 2x17 h GLU 4 Ca -0.47 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.55 2x17 h GLU 4 Cb 1.23 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.53 2x17 h GLU 4 CO 0.57 0.24 -0.66 -0.09 -0.73 0.00 0.00 179.01 178.34 2x17 h ARG 5 N 0.38 0.67 -0.33 1.92 2.43 -2.01 -3.22 114.38 114.21 2x17 h ARG 5 Ca 0.30 -0.55 -0.13 0.00 -0.81 0.00 0.00 59.98 58.78 2x17 h ARG 5 Cb 0.65 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2x17 h ARG 5 CO -0.08 1.17 -0.32 1.98 -1.51 0.00 0.00 179.97 181.20 2x17 h MET 6 N 0.34 0.73 -0.56 0.20 4.05 -1.67 -2.72 114.93 115.30 2x17 h MET 6 Ca -0.05 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.01 2x17 h MET 6 Cb 1.30 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.06 2x17 h MET 6 CO 0.14 0.95 0.26 1.25 0.23 0.00 0.00 176.91 179.74 2x17 h LEU 7 N 0.61 0.74 -0.94 3.39 5.85 -1.32 -1.72 115.31 121.92 2x17 h LEU 7 Ca 0.07 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2x17 h LEU 7 Cb 0.85 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2x17 h LEU 7 CO 0.07 0.67 -0.25 0.50 -0.34 0.00 0.00 178.44 179.09 2x17 h LYS 8 N 0.76 0.48 -0.08 1.25 3.64 -1.56 -1.78 116.57 119.28 2x17 h LYS 8 Ca 0.19 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2x17 h LYS 8 Cb 0.13 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2x17 h LYS 8 CO -0.02 0.70 -0.46 0.00 -2.27 0.00 0.00 179.45 177.39 2x17 h ALA 9 N 1.31 1.08 0.12 5.00 0.00 -1.15 -0.59 119.26 125.02 2x17 h ALA 9 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 2x17 h ALA 9 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x17 h ALA 9 CO 0.05 0.62 -1.21 -0.07 0.00 0.00 0.00 179.25 178.64 2x17 h LEU 10 N 0.15 0.60 -1.01 0.00 3.38 -1.17 -2.77 115.31 114.50 2x17 h LEU 10 Ca 0.01 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 2x17 h LEU 10 Cb 0.88 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2x17 h LEU 10 CO 0.07 1.43 -0.14 0.78 0.09 0.00 0.00 178.44 180.66 2x17 h ASN 11 N 0.16 0.54 -0.39 -0.43 2.35 -1.23 -1.55 115.58 115.02 2x17 h ASN 11 Ca -0.15 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.30 2x17 h ASN 11 Cb 1.90 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.12 2x17 h ASN 11 CO 0.21 0.70 -0.35 0.44 -1.65 0.00 0.00 177.43 176.79 2x17 h ASP 12 N 0.50 0.99 0.51 5.81 3.45 -1.14 -2.37 116.42 124.17 2x17 h ASP 12 Ca 0.09 -0.46 -0.14 0.00 0.43 0.00 0.00 57.03 56.95 2x17 h ASP 12 Cb 0.54 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2x17 h ASP 12 CO 0.03 1.24 -0.62 -0.61 -1.57 0.00 0.00 179.24 177.71 2x17 h GLN 13 N 0.75 0.11 -1.00 3.56 5.75 -1.43 -1.51 115.11 121.34 2x17 h GLN 13 Ca 0.07 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2x17 h GLN 13 Cb 0.94 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.46 2x17 h GLN 13 CO 0.09 0.69 0.66 1.25 -2.65 0.00 0.00 178.83 178.87 2x17 h LEU 14 N 0.08 1.14 -0.71 -2.39 6.46 -1.21 -1.21 115.31 117.46 2x17 h LEU 14 Ca -0.01 -0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.59 2x17 h LEU 14 Cb 1.11 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2x17 h LEU 14 CO 0.09 0.82 -0.46 -1.13 -0.62 0.00 0.00 178.44 177.14 2x17 h ASN 15 N 1.34 0.47 -0.21 1.25 -0.73 -1.05 -2.71 115.58 113.94 2x17 h ASN 15 Ca 0.37 -0.22 -0.14 0.00 1.87 0.00 0.00 56.30 58.19 2x17 h ASN 15 Cb -0.13 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 2x17 h ASN 15 CO -0.09 0.86 -0.35 0.03 -0.37 0.00 0.00 177.43 177.51 2x17 h ARG 16 N 0.35 0.73 -0.09 6.67 3.08 -0.85 -1.46 114.38 122.81 2x17 h ARG 16 Ca 0.02 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 2x17 h ARG 16 Cb 0.94 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2x17 h ARG 16 CO 0.08 0.97 -0.42 0.93 -1.07 0.00 0.00 179.97 180.46 2x17 h GLU 17 N 0.61 0.20 -0.04 0.04 4.39 -1.20 0.13 114.58 118.71 2x17 h GLU 17 Ca 0.06 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2x17 h GLU 17 Cb 0.89 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2x17 h GLU 17 CO 0.08 0.59 -0.77 -0.07 -1.16 0.00 0.00 179.01 177.67 2x17 h LEU 18 N 0.17 0.34 -0.48 1.33 3.38 -1.33 -2.24 115.31 116.48 2x17 h LEU 18 Ca 0.01 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 2x17 h LEU 18 Cb 0.82 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2x17 h LEU 18 CO 0.06 0.99 -0.50 0.22 0.09 0.00 0.00 178.44 179.31 2x17 h TYR 19 N 0.18 0.84 -0.63 1.13 3.20 -1.07 -1.80 116.97 118.82 2x17 h TYR 19 Ca -0.03 -0.28 0.07 0.00 3.14 0.00 0.00 58.73 61.63 2x17 h TYR 19 Cb 1.36 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.40 2x17 h TYR 19 CO 0.03 1.04 0.32 0.77 -1.64 0.00 0.00 178.16 178.68 2x17 h SER 20 N 0.54 0.43 -0.88 -2.11 0.02 -0.90 0.75 113.55 111.40 2x17 h SER 20 Ca 0.02 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2x17 h SER 20 Cb 1.05 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2x17 h SER 20 CO 0.10 0.27 0.49 0.00 -1.14 0.00 0.00 176.83 176.55 2x17 h ALA 21 N 1.36 1.20 -0.00 3.77 0.00 -1.30 -1.95 119.26 122.34 2x17 h ALA 21 Ca 0.30 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2x17 h ALA 21 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2x17 h ALA 21 CO -0.22 0.65 -0.81 -0.92 0.00 0.00 0.00 179.25 177.95 2x17 h TYR 22 N 1.23 0.13 -0.28 0.00 -0.00 -0.32 -2.22 116.97 115.50 2x17 h TYR 22 Ca 0.31 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.73 58.82 2x17 h TYR 22 Cb 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2x17 h TYR 22 CO 0.01 0.86 -0.40 1.25 -0.00 0.00 0.00 178.16 179.87 2x17 h LEU 23 N 0.05 0.85 -0.79 2.82 5.85 0.64 -1.76 115.31 122.97 2x17 h LEU 23 Ca -0.02 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.11 2x17 h LEU 23 Cb 1.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2x17 h LEU 23 CO 0.11 1.19 -0.39 1.88 -0.34 0.00 0.00 178.44 180.89 2x17 h TYR 24 N 0.53 0.00 0.00 1.25 0.05 -1.38 -0.36 116.97 117.06 2x17 h TYR 24 Ca 0.03 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2x17 h TYR 24 Cb 1.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 2x17 h TYR 24 CO 0.08 0.39 -0.44 0.35 -1.05 0.00 0.00 178.16 177.49 2x17 h PHE 25 N 0.00 0.00 0.05 4.88 -0.00 -1.34 -0.55 116.94 119.97 2x17 h PHE 25 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.97 57.71 2x17 h PHE 25 Cb 0.98 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.94 2x17 h PHE 25 CO 0.00 0.44 -1.08 0.00 -0.00 0.00 0.00 178.31 177.67 2x17 h ALA 26 N 1.56 0.19 -0.19 2.41 0.00 -0.74 -2.78 119.26 119.71 2x17 h ALA 26 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 2x17 h ALA 26 Cb 1.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x17 h ALA 26 CO 0.06 0.78 -0.43 0.52 0.00 0.00 0.00 179.25 180.18 2x17 h MET 27 N 0.25 0.45 -0.74 0.00 2.86 -1.02 -2.56 114.93 114.18 2x17 h MET 27 Ca -0.12 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 2x17 h MET 27 Cb 1.74 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.37 2x17 h MET 27 CO 0.20 0.80 0.33 0.00 1.06 0.00 0.00 176.91 179.30 2x17 h ALA 28 N 1.17 1.19 -0.22 6.32 0.00 -1.13 -1.65 119.26 124.93 2x17 h ALA 28 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x17 h ALA 28 Cb 0.91 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x17 h ALA 28 CO 0.08 0.60 -0.22 0.00 0.00 0.00 0.00 179.25 179.71 2x17 h ALA 29 N 1.31 1.21 -0.31 0.00 0.00 -1.33 -1.39 119.26 118.75 2x17 h ALA 29 Ca 0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2x17 h ALA 29 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2x17 h ALA 29 CO -0.03 0.51 -0.31 -0.92 0.00 0.00 0.00 179.25 178.50 2x17 h TYR 30 N 0.37 0.91 -0.07 0.00 3.20 -1.02 -2.83 116.97 117.52 2x17 h TYR 30 Ca 0.06 -0.27 -0.16 0.00 3.14 0.00 0.00 58.73 61.50 2x17 h TYR 30 Cb 0.59 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2x17 h TYR 30 CO 0.02 1.04 -0.65 0.74 -1.64 0.00 0.00 178.16 177.66 2x17 h PHE 31 N 0.52 0.36 -0.27 -3.82 0.04 -1.23 -3.01 116.94 109.53 2x17 h PHE 31 Ca 0.05 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2x17 h PHE 31 Cb 0.88 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2x17 h PHE 31 CO 0.07 0.85 -0.04 1.49 -0.60 0.00 0.00 178.31 180.08 2x17 h GLU 32 N 0.20 0.41 -0.50 1.51 4.57 -1.27 -0.96 114.58 118.54 2x17 h GLU 32 Ca -0.01 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 2x17 h GLU 32 Cb 1.18 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2x17 h GLU 32 CO 0.10 0.47 -0.13 0.22 -1.18 0.00 0.00 179.01 178.50 2x17 h ASP 33 N 0.39 0.93 0.25 1.04 3.58 -1.37 -2.79 116.42 118.45 2x17 h ASP 33 Ca 0.09 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2x17 h ASP 33 Cb 0.33 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2x17 h ASP 33 CO 0.01 1.06 0.00 0.18 -2.88 0.00 0.00 179.24 177.62 2x17 n LEU 34 N -4.14 0.00 -0.00 2.28 4.77 -1.04 -4.87 117.00 113.99 2x17 n LEU 34 Ca 0.01 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2x17 n LEU 34 Cb 0.40 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2x17 n LEU 34 CO 0.45 -0.02 -0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2x17 n GLY 35 N 0.86 0.48 3.47 -0.72 0.00 -1.05 -4.98 105.19 103.24 2x17 n GLY 35 Ca 0.17 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.01 4.96 0.30 0.99 1.43 -0.39 -4.85 118.68 121.11 2x17 s LEU 36 Ca 0.00 -2.76 0.04 0.00 -1.03 0.00 0.00 54.13 50.38 2x17 s LEU 36 Cb 0.00 -2.41 0.47 0.00 0.03 0.00 0.00 46.19 44.28 2x17 s LEU 36 CO 0.00 -0.84 1.75 -0.33 0.23 0.00 0.00 176.35 177.16 2x17 h GLU 37 N 7.54 0.41 -0.42 1.70 5.08 -1.91 -2.32 114.58 124.66 2x17 h GLU 37 Ca 0.29 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2x17 h GLU 37 Cb 0.90 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2x17 h GLU 37 CO 1.23 0.64 -0.12 0.78 -1.00 0.00 0.00 179.01 180.54 2x17 h GLY 38 N 1.02 0.90 1.34 -3.84 0.00 -1.89 -1.13 103.07 99.46 2x17 h GLY 38 Ca 0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 2x17 h GLY 38 CO 0.05 0.69 -0.03 0.74 0.00 0.00 0.00 176.54 177.98 2x17 h PHE 39 N 0.65 0.86 -0.21 5.60 -1.00 -1.74 -2.20 116.94 118.91 2x17 h PHE 39 Ca 0.10 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.72 2x17 h PHE 39 Cb 0.66 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2x17 h PHE 39 CO 0.05 0.81 0.02 0.00 -1.61 0.00 0.00 178.31 177.58 2x17 h ALA 40 N 1.22 0.28 -0.22 2.45 0.00 -1.23 -2.38 119.26 119.38 2x17 h ALA 40 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2x17 h ALA 40 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2x17 h ALA 40 CO 0.03 -0.02 -0.27 -0.91 0.00 0.00 0.00 179.25 178.07 2x17 h ASN 41 N 0.13 0.43 -0.54 0.00 2.35 -1.20 -1.77 115.58 114.98 2x17 h ASN 41 Ca 0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2x17 h ASN 41 Cb 0.36 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2x17 h ASN 41 CO 0.01 0.69 0.26 -0.25 -1.65 0.00 0.00 177.43 176.49 2x17 h TRP 42 N 0.38 0.78 -0.31 1.19 7.01 -1.35 -1.73 115.95 121.92 2x17 h TRP 42 Ca 0.05 -0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.89 2x17 h TRP 42 Cb 0.67 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2x17 h TRP 42 CO 0.02 0.61 -0.33 0.52 -2.79 0.00 0.00 178.44 176.47 2x17 h MET 43 N 0.73 0.68 -0.64 2.65 2.86 -1.19 -1.21 114.93 118.81 2x17 h MET 43 Ca 0.19 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2x17 h MET 43 Cb 0.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2x17 h MET 43 CO -0.02 0.92 0.18 0.87 1.06 0.00 0.00 176.91 179.92 2x17 h LYS 44 N 0.58 1.02 -0.11 1.72 1.57 -1.24 0.92 116.57 121.03 2x17 h LYS 44 Ca 0.06 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 2x17 h LYS 44 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2x17 h LYS 44 CO 0.07 0.90 -0.34 0.00 -0.57 0.00 0.00 179.45 179.51 2x17 h ALA 45 N 1.07 1.23 -0.12 3.86 0.00 -1.16 -2.13 119.26 122.00 2x17 h ALA 45 Ca 0.21 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2x17 h ALA 45 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x17 h ALA 45 CO -0.00 0.52 -0.65 0.37 0.00 0.00 0.00 179.25 179.49 2x17 h GLN 46 N 0.18 0.48 -0.62 0.00 5.75 -0.89 -3.06 115.11 116.95 2x17 h GLN 46 Ca 0.02 -0.35 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 2x17 h GLN 46 Cb 0.70 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 2x17 h GLN 46 CO 0.05 0.97 0.16 0.00 -2.65 0.00 0.00 178.83 177.36 2x17 h ALA 47 N 0.94 1.10 -0.37 3.38 0.00 -0.45 -2.75 119.26 121.12 2x17 h ALA 47 Ca -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2x17 h ALA 47 Cb 1.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2x17 h ALA 47 CO 0.12 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.79 2x17 h GLU 48 N 0.93 0.65 -0.58 0.00 5.08 -1.40 -2.70 114.58 116.56 2x17 h GLU 48 Ca 0.20 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2x17 h GLU 48 Cb 0.32 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2x17 h GLU 48 CO -0.00 0.75 0.16 0.93 -1.00 0.00 0.00 179.01 179.85 2x17 h GLU 49 N 0.60 0.89 -0.21 2.33 4.39 -1.39 -2.00 114.58 119.18 2x17 h GLU 49 Ca 0.11 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2x17 h GLU 49 Cb 0.54 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2x17 h GLU 49 CO 0.03 0.78 -0.32 0.93 -1.16 0.00 0.00 179.01 179.28 2x17 h GLU 50 N 0.86 0.43 -0.67 2.33 4.39 -1.24 0.10 114.58 120.78 2x17 h GLU 50 Ca 0.19 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2x17 h GLU 50 Cb 0.28 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2x17 h GLU 50 CO -0.00 0.70 0.10 0.82 -1.16 0.00 0.00 179.01 179.47 2x17 h ILE 51 N 0.37 1.26 -0.84 3.13 2.04 -1.19 -0.12 117.51 122.16 2x17 h ILE 51 Ca 0.05 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2x17 h ILE 51 Cb 0.75 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2x17 h ILE 51 CO 0.06 0.39 0.49 1.23 0.00 0.00 0.00 178.15 180.33 2x17 h GLY 52 N 1.05 1.23 1.58 5.37 0.00 -0.84 0.07 103.07 111.52 2x17 h GLY 52 Ca 0.20 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2x17 h GLY 52 CO 0.01 0.51 -0.26 0.45 0.00 0.00 0.00 176.54 177.26 2x17 h HIS 53 N 1.17 0.55 -0.17 5.60 3.86 -0.55 -2.48 115.15 123.13 2x17 h HIS 53 Ca 0.30 -0.12 -0.18 0.00 -1.16 0.00 0.00 60.37 59.21 2x17 h HIS 53 Cb -0.02 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2x17 h HIS 53 CO 0.01 0.71 -0.63 0.00 0.86 0.00 0.00 177.93 178.87 2x17 h ALA 54 N 1.29 0.58 0.00 2.45 0.00 -0.49 -3.11 119.26 119.99 2x17 h ALA 54 Ca 0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 54 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x17 h ALA 54 CO 0.05 0.70 -0.34 -0.07 0.00 0.00 0.00 179.25 179.59 2x17 h LEU 55 N 0.44 0.00 -0.63 0.00 3.38 -0.89 -2.12 115.31 115.49 2x17 h LEU 55 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2x17 h LEU 55 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2x17 h LEU 55 CO 0.12 0.34 -0.29 0.03 0.09 0.00 0.00 178.44 178.73 2x17 h ARG 56 N 0.00 0.76 -0.39 1.13 3.08 -1.38 -0.54 114.38 117.03 2x17 h ARG 56 Ca -0.00 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 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 0.04 0.95 -0.28 0.74 -1.07 0.00 0.00 179.97 180.36 2x17 h PHE 57 N 0.64 0.98 -0.25 3.04 0.04 -1.47 -2.27 116.94 117.65 2x17 h PHE 57 Ca 0.08 -0.25 0.02 0.00 2.80 0.00 0.00 57.97 60.62 2x17 h PHE 57 Cb 0.82 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 2x17 h PHE 57 CO 0.04 1.02 0.09 -0.92 -0.60 0.00 0.00 178.31 177.94 2x17 h TYR 58 N 0.72 0.16 -0.39 -0.55 5.03 -1.14 -2.08 116.97 118.71 2x17 h TYR 58 Ca 0.08 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.31 2x17 h TYR 58 Cb 0.83 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2x17 h TYR 58 CO 0.05 0.07 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.90 2x17 h ASN 59 N 0.20 0.72 -0.30 -2.11 2.35 -1.06 -3.09 115.58 112.28 2x17 h ASN 59 Ca 0.11 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2x17 h ASN 59 Cb 0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2x17 h ASN 59 CO -0.11 0.88 -0.20 0.22 -1.65 0.00 0.00 177.43 176.57 2x17 h TYR 60 N 0.65 0.77 -0.50 1.19 3.20 -1.27 -2.28 116.97 118.73 2x17 h TYR 60 Ca 0.10 -0.21 0.06 0.00 3.14 0.00 0.00 58.73 61.82 2x17 h TYR 60 Cb 0.62 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2x17 h TYR 60 CO 0.03 0.91 0.22 0.82 -1.64 0.00 0.00 178.16 178.51 2x17 h ILE 61 N 0.41 0.90 0.00 1.81 2.04 -1.36 -1.99 117.51 119.32 2x17 h ILE 61 Ca 0.06 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2x17 h ILE 61 Cb 0.74 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2x17 h ILE 61 CO 0.05 0.08 -0.35 1.88 0.00 0.00 0.00 178.15 179.81 2x17 h TYR 62 N 0.43 0.00 -0.09 1.37 0.05 -1.55 0.15 116.97 117.34 2x17 h TYR 62 Ca 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.92 2x17 h TYR 62 Cb 0.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2x17 h TYR 62 CO -0.13 0.35 -0.35 -0.44 -1.05 0.00 0.00 178.16 176.55 2x17 h ASP 63 N 0.00 0.17 -0.45 3.88 3.32 -0.84 -2.84 116.42 119.66 2x17 h ASP 63 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2x17 h ASP 63 Cb 0.97 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2x17 h ASP 63 CO 0.05 0.52 0.00 0.54 -1.72 0.00 0.00 179.24 178.62 2x17 n ARG 64 N -4.09 3.98 -1.55 3.56 5.12 -0.80 -4.91 116.66 117.97 2x17 n ARG 64 Ca -0.01 -2.45 -0.15 0.00 -1.93 0.00 0.00 57.85 53.31 2x17 n ARG 64 Cb 0.42 -2.08 -0.06 0.00 -1.16 0.00 0.00 32.46 29.59 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 0.52 -4.80 -2.50 0.55 5.15 -1.07 -4.13 115.26 108.98 2x17 n ASN 65 Ca 0.22 0.32 -0.06 0.00 -0.60 0.00 0.00 54.58 54.46 2x17 n ASN 65 Cb 0.97 -3.68 0.03 0.00 -0.53 0.00 0.00 39.78 36.58 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 -1.10 -0.09 2.88 8.20 0.00 0.52 -4.98 105.19 110.62 2x17 n GLY 66 Ca -0.16 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.26 0.95 -0.08 1.61 6.06 -1.26 -4.48 118.95 118.49 2x17 s ARG 67 Ca 0.15 -0.11 -0.27 0.00 -2.50 0.00 0.00 55.73 53.01 2x17 s ARG 67 Cb -0.01 -1.01 -0.02 0.00 0.06 0.00 0.00 34.95 33.97 2x17 s ARG 67 CO 0.10 -0.14 0.87 0.08 -2.50 0.00 0.00 175.30 173.72 2x17 s VAL 68 N 1.20 4.90 -0.18 7.11 1.01 -1.26 -5.00 120.40 128.17 2x17 s VAL 68 Ca -0.06 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2x17 s VAL 68 Cb -0.14 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2x17 s VAL 68 CO -0.02 0.11 -0.19 -0.70 0.00 0.00 0.00 175.10 174.31 2x17 s GLU 69 N 1.47 2.91 -0.20 2.72 2.12 -1.26 -5.11 118.70 121.35 2x17 s GLU 69 Ca 0.44 -0.86 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 2x17 s GLU 69 Cb -0.18 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 2x17 s GLU 69 CO 0.19 -0.24 0.71 -0.51 -0.54 0.00 0.00 175.26 174.88 2x17 s LEU 70 N 1.28 4.13 0.54 2.70 1.43 -1.26 -4.92 118.68 122.59 2x17 s LEU 70 Ca 0.04 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2x17 s LEU 70 Cb -0.13 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2x17 s LEU 70 CO -0.12 -0.35 0.77 -1.81 0.23 0.00 0.00 176.35 175.07 2x17 s ASP 71 N 1.24 5.40 0.59 2.29 1.01 -1.26 -5.08 116.67 120.85 2x17 s ASP 71 Ca 0.32 0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.53 2x17 s ASP 71 Cb -0.16 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 2x17 s ASP 71 CO 0.10 -1.06 1.19 -1.83 0.21 0.00 0.00 175.17 173.77 2x17 s GLU 72 N -4.76 3.05 -0.34 8.23 -1.05 -1.26 -5.02 118.70 117.55 2x17 s GLU 72 Ca 0.55 1.76 -0.11 0.00 -0.15 0.00 0.00 54.97 57.02 2x17 s GLU 72 Cb -0.10 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 2x17 s GLU 72 CO 0.39 -1.13 0.20 0.42 0.95 0.00 0.00 175.26 176.09 2x17 s ILE 73 N -1.67 4.80 0.77 1.83 1.01 -1.26 -5.08 121.20 121.60 2x17 s ILE 73 Ca 0.76 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 2x17 s ILE 73 Cb -0.28 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 38.72 2x17 s ILE 73 CO 0.32 -0.05 1.14 -2.16 0.00 0.00 0.00 174.94 174.19 2x17 s PRO 74 N 1.63 2.05 0.04 2.79 0.04 -1.26 -4.96 135.00 135.34 2x17 s PRO 74 Ca 0.04 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 2x17 s PRO 74 Cb -0.18 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2x17 s PRO 74 CO 0.08 -1.84 1.44 0.21 0.04 0.00 0.00 177.00 176.93 2x17 s LYS 75 N -4.40 4.28 0.62 4.56 2.20 -1.26 -5.02 119.74 120.71 2x17 s LYS 75 Ca 0.67 2.06 -0.09 0.00 -0.36 0.00 0.00 55.97 58.25 2x17 s LYS 75 Cb -0.22 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 2x17 s LYS 75 CO 0.50 -0.57 0.98 -1.25 -0.36 0.00 0.00 175.35 174.66 2x17 s PRO 76 N 2.08 3.24 0.41 4.03 0.04 -1.26 -5.03 135.00 138.51 2x17 s PRO 76 Ca 0.66 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 2x17 s PRO 76 Cb -0.34 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2x17 s PRO 76 CO 0.29 -0.67 1.40 -2.30 0.04 0.00 0.00 177.00 175.76 2x17 n PRO 77 N -2.71 2.30 -0.06 0.56 -0.02 -1.26 -4.96 135.00 128.84 2x17 n PRO 77 Ca 0.05 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 2x17 n PRO 77 Cb 0.56 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.47 0.04 -5.85 -0.52 3.64 -1.96 -3.45 116.57 110.94 2x17 h LYS 78 Ca -0.50 -0.07 -0.50 0.00 -1.27 0.00 0.00 60.65 58.31 2x17 h LYS 78 Cb 1.27 0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.93 2x17 h LYS 78 CO 0.62 1.03 -0.78 -1.21 -2.27 0.00 0.00 179.45 176.84 2x17 s GLU 79 N -2.28 1.19 0.14 1.90 2.02 -1.26 -4.67 118.70 115.74 2x17 s GLU 79 Ca -0.21 -1.32 0.07 0.00 0.02 0.00 0.00 54.97 53.53 2x17 s GLU 79 Cb -0.00 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 2x17 s GLU 79 CO 0.69 0.26 -0.15 -1.58 0.02 0.00 0.00 175.26 174.49 2x17 s TRP 80 N -1.90 1.52 0.20 1.61 0.51 -1.26 -5.07 118.94 114.55 2x17 s TRP 80 Ca 0.12 -0.55 -0.10 0.00 -2.12 0.00 0.00 56.10 53.46 2x17 s TRP 80 Cb -0.06 -0.78 0.14 0.00 -0.81 0.00 0.00 33.47 31.96 2x17 s TRP 80 CO 0.05 0.20 1.79 1.49 -0.51 0.00 0.00 176.95 179.98 2x17 h GLU 81 N 3.33 1.06 -3.78 4.98 4.81 -2.01 -3.46 114.58 119.50 2x17 h GLU 81 Ca -0.40 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 58.59 2x17 h GLU 81 Cb 1.20 -0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.27 2x17 h GLU 81 CO 0.52 0.82 -0.27 -1.54 -0.73 0.00 0.00 179.01 177.82 2x17 s SER 82 N -6.14 -0.00 0.50 1.04 1.04 -1.26 -5.01 113.70 103.86 2x17 s SER 82 Ca -0.13 -0.79 0.22 0.00 0.48 0.00 0.00 55.95 55.73 2x17 s SER 82 Cb 0.15 0.45 1.28 0.00 0.10 0.00 0.00 66.02 68.00 2x17 s SER 82 CO 0.81 -0.91 1.97 -0.65 0.98 0.00 0.00 173.24 175.44 2x17 h PRO 83 N 2.50 0.14 -0.13 4.02 0.11 -2.00 -1.13 132.00 135.52 2x17 h PRO 83 Ca -0.31 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2x17 h PRO 83 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x17 h PRO 83 CO 0.47 0.09 -0.05 1.25 -0.21 0.00 0.00 178.00 179.55 2x17 h LEU 84 N 0.14 0.27 -1.42 2.35 5.85 -1.96 -2.92 115.31 117.63 2x17 h LEU 84 Ca 0.29 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2x17 h LEU 84 Cb 0.95 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2x17 h LEU 84 CO -0.04 0.61 -0.26 0.11 -0.34 0.00 0.00 178.44 178.52 2x17 h LYS 85 N -0.07 0.04 -0.52 1.25 1.79 -1.83 -1.60 116.57 115.64 2x17 h LYS 85 Ca 0.03 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2x17 h LYS 85 Cb 0.51 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2x17 h LYS 85 CO 0.02 0.30 -0.08 0.00 -1.08 0.00 0.00 179.45 178.61 2x17 h ALA 86 N 1.70 0.89 0.00 3.86 0.00 -1.20 -1.80 119.26 122.72 2x17 h ALA 86 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2x17 h ALA 86 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2x17 h ALA 86 CO 0.03 0.64 -0.42 0.74 0.00 0.00 0.00 179.25 180.25 2x17 h PHE 87 N 0.84 0.00 -0.12 0.00 0.04 -1.30 -2.54 116.94 113.87 2x17 h PHE 87 Ca 0.14 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 2x17 h PHE 87 Cb 0.60 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2x17 h PHE 87 CO 0.04 0.42 -0.39 0.93 -0.60 0.00 0.00 178.31 178.71 2x17 h GLU 88 N 0.00 0.25 -0.01 1.51 5.08 -1.10 -1.43 114.58 118.87 2x17 h GLU 88 Ca -0.00 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 2x17 h GLU 88 Cb 1.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2x17 h GLU 88 CO 0.05 0.60 -0.89 0.00 -1.00 0.00 0.00 179.01 177.77 2x17 h ALA 89 N 1.39 0.44 -0.28 3.43 0.00 -1.26 -2.68 119.26 120.30 2x17 h ALA 89 Ca 0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 2x17 h ALA 89 Cb 0.78 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2x17 h ALA 89 CO 0.06 0.83 -0.48 0.00 0.00 0.00 0.00 179.25 179.66 2x17 h ALA 90 N 0.82 0.63 -0.23 0.00 0.00 -1.33 -1.65 119.26 117.49 2x17 h ALA 90 Ca -0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 2x17 h ALA 90 Cb 1.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2x17 h ALA 90 CO 0.15 0.68 -0.42 -0.92 0.00 0.00 0.00 179.25 178.73 2x17 h TYR 91 N 0.59 0.67 -0.37 0.00 3.20 -1.32 0.04 116.97 119.78 2x17 h TYR 91 Ca 0.03 -0.20 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 2x17 h TYR 91 Cb 1.05 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2x17 h TYR 91 CO 0.06 0.89 -0.15 1.49 -1.64 0.00 0.00 178.16 178.80 2x17 h GLU 92 N 0.46 0.67 -0.20 1.82 4.81 -1.43 -2.34 114.58 118.36 2x17 h GLU 92 Ca 0.04 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 2x17 h GLU 92 Cb 0.93 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2x17 h GLU 92 CO 0.08 0.79 -0.50 1.25 -0.73 0.00 0.00 179.01 179.90 2x17 h HIS 93 N 0.60 0.69 -0.07 0.92 2.76 -0.98 -1.95 115.15 117.12 2x17 h HIS 93 Ca 0.10 -0.23 -0.09 0.00 -2.20 0.00 0.00 60.37 57.95 2x17 h HIS 93 Cb 0.61 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2x17 h HIS 93 CO 0.03 0.95 -0.35 0.93 -1.30 0.00 0.00 177.93 178.19 2x17 h GLU 94 N 0.44 0.14 -0.01 5.26 4.39 -0.84 -0.26 114.58 123.71 2x17 h GLU 94 Ca 0.02 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 2x17 h GLU 94 Cb 1.03 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 2x17 h GLU 94 CO 0.10 0.48 -0.72 0.87 -1.16 0.00 0.00 179.01 178.57 2x17 h LYS 95 N 0.12 0.06 -0.40 2.33 1.57 -1.32 -1.85 116.57 117.07 2x17 h LYS 95 Ca 0.01 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2x17 h LYS 95 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2x17 h LYS 95 CO 0.05 0.75 -0.11 0.35 -0.57 0.00 0.00 179.45 179.92 2x17 h PHE 96 N 0.04 0.87 -0.31 -1.35 3.57 -0.72 -1.48 116.94 117.57 2x17 h PHE 96 Ca -0.01 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 2x17 h PHE 96 Cb 1.27 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2x17 h PHE 96 CO 0.01 0.91 -0.11 0.82 -2.23 0.00 0.00 178.31 177.71 2x17 h ILE 97 N 0.59 1.29 -0.87 1.41 1.08 -1.08 -2.41 117.51 117.52 2x17 h ILE 97 Ca 0.10 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 2x17 h ILE 97 Cb 0.63 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 2x17 h ILE 97 CO 0.04 0.38 0.57 0.28 -0.69 0.00 0.00 178.15 178.73 2x17 h SER 98 N 0.38 0.97 -0.64 1.72 0.02 -1.33 -1.28 113.55 113.39 2x17 h SER 98 Ca 0.07 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2x17 h SER 98 Cb 0.62 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2x17 h SER 98 CO 0.04 0.69 0.15 0.50 -1.14 0.00 0.00 176.83 177.07 2x17 h LYS 99 N 1.15 1.02 0.00 3.45 3.64 -1.21 -1.14 116.57 123.48 2x17 h LYS 99 Ca 0.33 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2x17 h LYS 99 Cb -0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2x17 h LYS 99 CO -0.09 0.93 -0.26 0.66 -2.27 0.00 0.00 179.45 178.42 2x17 h SER 100 N 0.94 0.00 -0.16 4.20 4.64 -1.10 -1.72 113.55 120.35 2x17 h SER 100 Ca 0.20 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.32 2x17 h SER 100 Cb 0.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2x17 h SER 100 CO 0.00 0.26 -0.68 0.40 -0.87 0.00 0.00 176.83 175.94 2x17 h ILE 101 N 0.00 1.30 -0.82 0.95 1.08 -0.88 -2.89 117.51 116.24 2x17 h ILE 101 Ca -0.00 -1.90 -0.03 0.00 -0.39 0.00 0.00 64.86 62.54 2x17 h ILE 101 Cb 0.74 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 2x17 h ILE 101 CO 0.03 0.60 0.38 1.88 -0.69 0.00 0.00 178.15 180.35 2x17 h TYR 102 N 0.46 1.19 -0.10 1.37 0.05 -0.84 -1.51 116.97 117.60 2x17 h TYR 102 Ca -0.04 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.58 2x17 h TYR 102 Cb 1.31 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 2x17 h TYR 102 CO 0.09 0.87 -0.40 0.93 -1.05 0.00 0.00 178.16 178.60 2x17 h GLU 103 N 1.18 0.21 -0.44 4.88 5.08 -1.38 -0.13 114.58 123.97 2x17 h GLU 103 Ca 0.28 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2x17 h GLU 103 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2x17 h GLU 103 CO -0.03 0.58 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.26 2x17 h LEU 104 N 0.18 0.96 -0.99 1.33 3.38 -1.27 -1.10 115.31 117.81 2x17 h LEU 104 Ca 0.02 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2x17 h LEU 104 Cb 0.79 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2x17 h LEU 104 CO 0.06 1.16 -0.16 0.00 0.09 0.00 0.00 178.44 179.59 2x17 h ALA 105 N 0.83 1.15 -0.20 1.53 0.00 -0.94 -0.63 119.26 121.01 2x17 h ALA 105 Ca 0.10 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2x17 h ALA 105 Cb 0.80 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2x17 h ALA 105 CO 0.07 0.54 -0.58 0.00 0.00 0.00 0.00 179.25 179.27 2x17 h ALA 106 N 1.33 0.60 -0.33 0.00 0.00 -0.96 -2.55 119.26 117.35 2x17 h ALA 106 Ca 0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2x17 h ALA 106 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2x17 h ALA 106 CO 0.04 0.69 -0.30 1.25 0.00 0.00 0.00 179.25 180.93 2x17 h LEU 107 N 0.48 0.73 -0.43 0.00 5.85 -0.97 -2.39 115.31 118.58 2x17 h LEU 107 Ca 0.00 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 2x17 h LEU 107 Cb 1.15 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2x17 h LEU 107 CO 0.11 0.98 -0.03 0.00 -0.34 0.00 0.00 178.44 179.16 2x17 h ALA 108 N 1.06 0.58 -0.19 1.25 0.00 -1.09 -2.40 119.26 118.48 2x17 h ALA 108 Ca 0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2x17 h ALA 108 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2x17 h ALA 108 CO 0.07 0.41 -0.42 0.93 0.00 0.00 0.00 179.25 180.23 2x17 h GLU 109 N 0.62 0.45 -0.32 0.00 5.08 -1.45 0.25 114.58 119.20 2x17 h GLU 109 Ca 0.12 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2x17 h GLU 109 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2x17 h GLU 109 CO 0.03 0.79 0.01 1.49 -1.00 0.00 0.00 179.01 180.33 2x17 h GLU 110 N 0.37 0.57 -0.00 2.33 4.81 -1.37 -2.93 114.58 118.35 2x17 h GLU 110 Ca 0.03 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2x17 h GLU 110 Cb 0.90 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2x17 h GLU 110 CO 0.08 0.69 -0.02 0.39 -0.73 0.00 0.00 179.01 179.41 2x17 n GLU 111 N -4.55 0.99 -3.06 1.92 1.02 -0.91 -4.92 120.64 111.13 2x17 n GLU 111 Ca -0.02 -0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 56.67 2x17 n GLU 111 Cb 0.26 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.81 -5.13 -2.98 3.49 5.02 -0.68 -4.94 118.16 112.14 2x17 n LYS 112 Ca 0.20 0.88 -0.44 0.00 -2.02 0.00 0.00 58.31 56.93 2x17 n LYS 112 Cb 0.21 -5.71 -0.01 0.00 -0.02 0.00 0.00 35.03 29.51 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 -2.79 7.01 0.47 4.39 -1.08 0.79 -4.85 116.67 120.62 2x17 s ASP 113 Ca 0.33 -2.88 0.18 0.00 -0.52 0.00 0.00 52.55 49.66 2x17 s ASP 113 Cb -0.14 -2.38 1.14 0.00 -1.46 0.00 0.00 42.92 40.07 2x17 s ASP 113 CO 0.40 -0.76 2.02 1.88 0.52 0.00 0.00 175.17 179.24 2x17 h TYR 114 N 7.41 0.00 -0.37 -5.34 -1.99 -1.92 -2.45 116.97 112.30 2x17 h TYR 114 Ca 0.27 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.94 2x17 h TYR 114 Cb 0.90 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 2x17 h TYR 114 CO 1.08 0.16 -0.01 0.77 -0.00 0.00 0.00 178.16 180.17 2x17 h SER 115 N 0.00 0.65 -0.21 3.88 0.02 -1.96 -1.24 113.55 114.69 2x17 h SER 115 Ca -0.00 -0.31 -0.19 0.00 -0.84 0.00 0.00 61.79 60.44 2x17 h SER 115 Cb 0.31 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2x17 h SER 115 CO 0.02 0.81 -0.60 0.74 -1.14 0.00 0.00 176.83 176.66 2x17 h THR 116 N 0.48 1.28 -0.84 -2.27 2.02 -1.91 -2.31 112.91 109.36 2x17 h THR 116 Ca 0.10 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 2x17 h THR 116 Cb 0.48 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 2x17 h THR 116 CO 0.02 0.58 0.44 -0.09 0.37 0.00 0.00 175.52 176.84 2x17 h ARG 117 N 0.61 1.18 -0.02 6.66 9.65 -1.41 -0.14 114.38 130.92 2x17 h ARG 117 Ca -0.00 -0.15 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 2x17 h ARG 117 Cb 1.20 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.54 2x17 h ARG 117 CO 0.13 0.88 -0.55 0.00 2.80 0.00 0.00 179.97 183.23 2x17 h ALA 118 N 1.24 1.04 -0.30 2.80 0.00 -1.22 -2.91 119.26 119.91 2x17 h ALA 118 Ca 0.29 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2x17 h ALA 118 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x17 h ALA 118 CO -0.04 0.69 -0.53 0.35 0.00 0.00 0.00 179.25 179.72 2x17 h PHE 119 N 0.05 1.11 0.00 0.00 3.57 -0.93 -3.20 116.94 117.54 2x17 h PHE 119 Ca -0.00 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2x17 h PHE 119 Cb 0.99 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2x17 h PHE 119 CO 0.01 1.22 0.00 -0.07 -2.23 0.00 0.00 178.31 177.24 2x17 h LEU 120 N 0.69 0.00 -1.35 0.59 3.38 -0.97 -3.16 115.31 114.48 2x17 h LEU 120 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2x17 h LEU 120 Cb 1.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2x17 h LEU 120 CO 0.12 0.00 0.51 -0.08 0.09 0.00 0.00 178.44 179.08 2x17 h GLU 121 N 0.00 0.73 -0.82 1.13 4.57 -1.50 -0.63 114.58 118.06 2x17 h GLU 121 Ca 0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2x17 h GLU 121 Cb 0.53 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2x17 h GLU 121 CO 0.00 0.48 0.41 2.35 -1.18 0.00 0.00 179.01 181.07 2x17 h TRP 122 N 0.75 1.16 -0.02 0.92 7.01 -1.74 -2.23 115.95 121.80 2x17 h TRP 122 Ca 0.35 -0.05 -0.19 0.00 2.11 0.00 0.00 58.89 61.11 2x17 h TRP 122 Cb 0.37 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2x17 h TRP 122 CO -0.00 0.83 -0.82 0.74 -2.79 0.00 0.00 178.44 176.40 2x17 h PHE 123 N 1.16 0.33 -0.54 2.65 0.04 -1.35 -0.82 116.94 118.41 2x17 h PHE 123 Ca 0.28 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2x17 h PHE 123 Cb 0.09 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2x17 h PHE 123 CO 0.01 0.95 0.26 0.82 -0.60 0.00 0.00 178.31 179.75 2x17 h ILE 124 N 0.14 1.20 -0.22 -0.55 2.04 -1.09 -0.99 117.51 118.04 2x17 h ILE 124 Ca -0.04 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.14 2x17 h ILE 124 Cb 1.42 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2x17 h ILE 124 CO 0.13 0.22 -0.45 0.78 0.00 0.00 0.00 178.15 178.83 2x17 h ASN 125 N 0.72 0.58 -0.34 1.72 2.35 -1.34 -3.17 115.58 116.10 2x17 h ASN 125 Ca 0.19 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 2x17 h ASN 125 Cb 0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2x17 h ASN 125 CO -0.02 0.95 -0.26 -0.08 -1.65 0.00 0.00 177.43 176.36 2x17 h GLU 126 N 0.44 0.77 0.00 0.81 4.22 -1.01 -3.20 114.58 116.61 2x17 h GLU 126 Ca 0.03 -0.38 -0.02 0.00 0.08 0.00 0.00 59.36 59.07 2x17 h GLU 126 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2x17 h GLU 126 CO 0.08 1.00 -0.11 1.96 -2.18 0.00 0.00 179.01 179.77 2x17 h GLN 127 N 0.55 0.00 -0.47 1.92 1.08 -1.21 -1.99 115.11 114.99 2x17 h GLN 127 Ca 0.06 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2x17 h GLN 127 Cb 0.83 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 2x17 h GLN 127 CO 0.07 0.11 0.04 0.28 -0.95 0.00 0.00 178.83 178.38 2x17 h VAL 128 N 0.00 1.25 -0.32 -0.54 2.07 -1.54 -1.58 116.25 115.60 2x17 h VAL 128 Ca -0.00 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 2x17 h VAL 128 Cb 0.44 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2x17 h VAL 128 CO 0.01 0.34 -0.32 -0.33 0.02 0.00 0.00 177.57 177.29 2x17 h GLU 129 N 0.67 0.78 -0.58 1.57 5.08 -1.50 -2.64 114.58 117.96 2x17 h GLU 129 Ca 0.14 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 2x17 h GLU 129 Cb 0.44 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2x17 h GLU 129 CO 0.02 1.04 -0.06 0.93 -1.00 0.00 0.00 179.01 179.93 2x17 h GLU 130 N 0.55 1.06 -0.48 2.33 5.08 -1.35 0.16 114.58 121.93 2x17 h GLU 130 Ca 0.05 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 2x17 h GLU 130 Cb 0.90 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2x17 h GLU 130 CO 0.08 1.07 0.12 0.93 -1.00 0.00 0.00 179.01 180.21 2x17 h GLU 131 N 0.95 0.76 -0.12 2.33 5.08 -1.36 -1.92 114.58 120.31 2x17 h GLU 131 Ca 0.15 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2x17 h GLU 131 Cb 0.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2x17 h GLU 131 CO 0.04 0.74 -0.32 0.00 -1.00 0.00 0.00 179.01 178.47 2x17 h ALA 132 N 0.99 1.24 -0.29 3.43 0.00 -1.28 -0.83 119.26 122.51 2x17 h ALA 132 Ca 0.15 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2x17 h ALA 132 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2x17 h ALA 132 CO 0.00 0.51 -0.21 1.03 0.00 0.00 0.00 179.25 180.59 2x17 h SER 133 N 0.20 0.69 -0.11 0.00 0.87 -0.51 -2.17 113.55 112.53 2x17 h SER 133 Ca 0.03 -0.44 -0.21 0.00 -1.23 0.00 0.00 61.79 59.93 2x17 h SER 133 Cb 0.68 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2x17 h SER 133 CO 0.05 0.98 -0.77 0.58 -0.53 0.00 0.00 176.83 177.14 2x17 h VAL 134 N 0.41 1.30 -0.48 2.23 2.07 -1.27 -3.25 116.25 117.25 2x17 h VAL 134 Ca 0.06 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.53 2x17 h VAL 134 Cb 0.75 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2x17 h VAL 134 CO 0.06 0.62 0.10 0.50 0.02 0.00 0.00 177.57 178.87 2x17 h LYS 135 N 0.40 0.73 -0.85 1.57 1.63 -1.20 -0.87 116.57 117.99 2x17 h LYS 135 Ca -0.07 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2x17 h LYS 135 Cb 1.41 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 2x17 h LYS 135 CO 0.16 0.67 0.55 -0.22 -3.45 0.00 0.00 179.45 177.16 2x17 h LYS 136 N 0.71 1.13 0.08 1.90 3.64 -1.43 -1.06 116.57 121.54 2x17 h LYS 136 Ca 0.16 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 2x17 h LYS 136 Cb 0.28 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2x17 h LYS 136 CO -0.00 0.76 -1.13 0.82 -2.27 0.00 0.00 179.45 177.63 2x17 h ILE 137 N 1.16 1.48 -0.11 2.00 2.04 -1.53 -3.04 117.51 119.50 2x17 h ILE 137 Ca 0.31 -2.88 0.02 0.00 1.00 0.00 0.00 64.86 63.32 2x17 h ILE 137 Cb -0.11 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2x17 h ILE 137 CO -0.06 0.84 -0.04 0.25 0.00 0.00 0.00 178.15 179.14 2x17 h LEU 138 N 0.11 -0.14 -1.57 1.44 6.46 -0.90 -1.35 115.31 119.36 2x17 h LEU 138 Ca -0.11 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2x17 h LEU 138 Cb 1.83 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.83 2x17 h LEU 138 CO 0.19 -0.06 0.08 0.44 -0.62 0.00 0.00 178.44 178.47 2x17 h ASP 139 N -0.02 0.33 0.54 1.25 3.32 -1.27 -1.09 116.42 119.48 2x17 h ASP 139 Ca 0.06 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2x17 h ASP 139 Cb 0.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2x17 h ASP 139 CO -0.13 0.32 -0.55 0.11 -1.72 0.00 0.00 179.24 177.27 2x17 h LYS 140 N 0.36 0.01 0.00 3.56 1.57 -1.33 -1.14 116.57 119.60 2x17 h LYS 140 Ca 0.09 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 2x17 h LYS 140 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2x17 h LYS 140 CO -0.01 0.56 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.50 2x17 h LEU 141 N 0.01 0.21 -1.04 2.94 3.38 -0.31 -2.56 115.31 117.94 2x17 h LEU 141 Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2x17 h LEU 141 Cb 0.98 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2x17 h LEU 141 CO 0.07 0.97 -0.18 0.11 0.09 0.00 0.00 178.44 179.51 2x17 h LYS 142 N 0.09 0.48 0.00 1.13 1.57 -1.10 -2.92 116.57 115.82 2x17 h LYS 142 Ca -0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2x17 h LYS 142 Cb 1.48 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2x17 h LYS 142 CO 0.13 0.64 0.00 0.35 -0.57 0.00 0.00 179.45 180.00 2x17 h PHE 143 N 0.44 0.00 -2.22 -1.35 3.57 -1.00 -3.28 116.94 113.10 2x17 h PHE 143 Ca 0.08 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 61.00 2x17 h PHE 143 Cb 0.56 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 38.88 2x17 h PHE 143 CO 0.02 0.00 -0.72 0.00 -2.23 0.00 0.00 178.31 175.38 2x17 n ALA 144 N -2.07 4.35 0.06 2.41 0.00 -0.98 -4.95 120.51 119.33 2x17 n ALA 144 Ca 0.01 -4.52 -0.02 0.00 0.00 0.00 0.00 53.44 48.91 2x17 n ALA 144 Cb 0.32 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 2.97 -0.14 -1.99 0.00 1.57 -1.63 -3.32 116.57 114.03 2x17 h LYS 145 Ca 0.13 0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.21 2x17 h LYS 145 Cb 0.58 0.03 -0.33 0.00 0.08 0.00 0.00 32.23 32.59 2x17 h LYS 145 CO 0.78 -0.09 0.41 -0.25 -0.57 0.00 0.00 179.45 179.73 2x17 n ASP 146 N -2.40 6.43 -3.49 0.86 8.00 -1.26 -4.90 116.55 119.79 2x17 n ASP 146 Ca -0.02 -3.76 -0.25 0.00 0.71 0.00 0.00 54.79 51.48 2x17 n ASP 146 Cb 0.06 -0.88 -0.13 0.00 -0.02 0.00 0.00 41.12 40.15 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 -2.04 2.85 0.41 -2.24 0.15 -1.25 -4.97 113.70 106.61 2x17 s SER 147 Ca 0.48 -1.16 0.28 0.00 0.70 0.00 0.00 55.95 56.25 2x17 s SER 147 Cb 0.35 -0.05 1.01 0.00 -1.71 0.00 0.00 66.02 65.62 2x17 s SER 147 CO -0.26 -0.41 1.82 -0.65 1.20 0.00 0.00 173.24 174.93 2x17 h PRO 148 N 8.27 0.00 -0.26 5.44 0.11 -1.90 -3.03 132.00 140.64 2x17 h PRO 148 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2x17 h PRO 148 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2x17 h PRO 148 CO 0.39 0.00 0.08 1.96 -0.21 0.00 0.00 178.00 180.22 2x17 h GLN 149 N 0.00 0.40 0.01 1.05 7.50 -1.98 -1.71 115.11 120.38 2x17 h GLN 149 Ca 0.00 -0.09 -0.20 0.00 0.50 0.00 0.00 58.65 58.86 2x17 h GLN 149 Cb 0.59 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 2x17 h GLN 149 CO 0.00 0.47 -0.90 0.82 -1.50 0.00 0.00 178.83 177.72 2x17 h ILE 150 N 0.25 1.48 -0.41 2.54 2.04 -1.95 -2.89 117.51 118.57 2x17 h ILE 150 Ca 0.08 -2.61 -0.04 0.00 1.00 0.00 0.00 64.86 63.30 2x17 h ILE 150 Cb 0.24 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2x17 h ILE 150 CO -0.00 0.76 0.10 0.25 0.00 0.00 0.00 178.15 179.26 2x17 h LEU 151 N 0.13 0.55 -0.56 1.44 5.85 -1.50 0.93 115.31 122.15 2x17 h LEU 151 Ca -0.05 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 2x17 h LEU 151 Cb 1.53 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 2x17 h LEU 151 CO 0.14 0.55 -0.15 0.15 -0.34 0.00 0.00 178.44 178.80 2x17 h PHE 152 N 0.59 1.13 0.00 1.25 3.57 -1.24 -2.45 116.94 119.80 2x17 h PHE 152 Ca 0.14 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2x17 h PHE 152 Cb 0.22 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2x17 h PHE 152 CO 0.01 1.07 -0.50 0.52 -2.23 0.00 0.00 178.31 177.17 2x17 h MET 153 N 0.88 0.00 -0.11 1.11 2.86 -1.23 -3.06 114.93 115.38 2x17 h MET 153 Ca 0.13 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.63 2x17 h MET 153 Cb 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2x17 h MET 153 CO 0.05 0.50 -0.55 -0.07 1.06 0.00 0.00 176.91 177.91 2x17 h LEU 154 N 0.00 0.35 -0.79 1.22 3.38 -0.78 -2.94 115.31 115.75 2x17 h LEU 154 Ca -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2x17 h LEU 154 Cb 1.24 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2x17 h LEU 154 CO 0.07 0.83 0.38 -0.78 0.09 0.00 0.00 178.44 179.02 2x17 h ASP 155 N 0.24 1.04 0.19 -0.43 3.58 -1.34 -2.32 116.42 117.38 2x17 h ASP 155 Ca 0.00 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.18 2x17 h ASP 155 Cb 1.04 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2x17 h ASP 155 CO 0.09 0.88 -0.52 0.50 -2.88 0.00 0.00 179.24 177.31 2x17 h LYS 156 N 1.12 0.37 -0.22 0.28 3.64 -1.54 -2.54 116.57 117.68 2x17 h LYS 156 Ca 0.27 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2x17 h LYS 156 Cb 0.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2x17 h LYS 156 CO -0.03 0.80 -0.37 0.93 -2.27 0.00 0.00 179.45 178.50 2x17 h GLU 157 N 0.29 0.50 0.00 1.90 5.08 -1.32 -3.09 114.58 117.94 2x17 h GLU 157 Ca 0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2x17 h GLU 157 Cb 1.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2x17 h GLU 157 CO 0.09 0.80 -0.40 1.28 -1.00 0.00 0.00 179.01 179.77 2x17 n LEU 158 N -4.05 0.71 0.07 1.33 4.77 -0.90 -3.65 117.00 115.29 2x17 n LEU 158 Ca -0.01 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 2x17 n LEU 158 Cb 0.49 -0.24 0.42 0.00 -2.33 0.00 0.00 43.42 41.76 2x17 n LEU 158 CO 0.44 -0.08 0.82 -1.54 -1.33 0.00 0.00 177.39 175.69 2x17 n SER 159 N -2.11 0.39 0.03 -1.43 3.41 -0.96 -2.46 113.62 110.49 2x17 n SER 159 Ca 0.04 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2x17 n SER 159 Cb 0.43 -0.67 0.32 0.00 -0.26 0.00 0.00 64.21 64.02 2x17 n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x17 h ALA 160 N 2.41 1.40 -2.52 7.33 0.00 -1.69 -3.40 119.26 122.79 2x17 h ALA 160 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 2x17 h ALA 160 Cb 0.35 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 2x17 h ALA 160 CO 0.00 0.42 0.14 0.50 0.00 0.00 0.00 179.25 180.31 2x17 s ARG 161 N -4.89 4.15 0.11 0.00 3.52 -1.03 -5.06 118.95 115.75 2x17 s ARG 161 Ca -0.07 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 56.15 2x17 s ARG 161 Cb 0.15 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2x17 s ARG 161 CO 0.76 -0.34 -0.12 0.00 -0.81 0.00 0.00 175.30 174.79 2x17 s ALA 162 N 2.25 1.26 0.32 6.12 0.00 -1.26 -3.60 121.76 126.84 2x17 s ALA 162 Ca 0.27 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 2x17 s ALA 162 Cb -0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 2x17 s ALA 162 CO 0.09 0.01 1.43 -1.25 0.00 0.00 0.00 175.76 176.05 2x17 s PRO 163 N -2.76 4.23 0.08 0.00 0.04 -1.26 -4.73 135.00 130.60 2x17 s PRO 163 Ca 0.07 2.39 0.22 0.00 0.04 0.00 0.00 61.00 63.72 2x17 s PRO 163 Cb -0.04 -3.04 -0.18 0.00 0.04 0.00 0.00 34.50 31.28 2x17 s PRO 163 CO 0.01 -0.41 0.74 1.63 0.04 0.00 0.00 177.00 179.01 2x17 n LYS 164 N 1.28 0.63 -0.03 4.56 5.02 -1.26 -4.53 118.16 123.83 2x17 n LYS 164 Ca 0.03 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 2x17 n LYS 164 Cb 0.40 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.14 -0.86 -0.35 5.85 -1.99 -3.38 115.31 114.72 2x17 h LEU 165 Ca -0.00 -0.68 0.22 0.00 0.84 0.00 0.00 57.88 58.25 2x17 h LEU 165 Cb 1.01 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 2x17 h LEU 165 CO 0.00 0.80 0.28 -0.65 -0.34 0.00 0.00 178.44 178.54 2x17 h PRO 166 N -0.51 0.27 0.00 5.25 0.11 -1.99 -0.48 132.00 134.65 2x17 h PRO 166 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2x17 h PRO 166 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2x17 h PRO 166 CO 0.02 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 178.41 2x17 n GLY 167 N -1.36 -0.93 0.01 -0.55 0.00 -1.26 -3.45 105.19 97.65 2x17 n GLY 167 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.57 0.00 -4.79 0.99 4.77 -0.19 -5.05 117.00 112.16 2x17 n LEU 168 Ca 0.03 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 2x17 n LEU 168 Cb 0.01 0.03 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 2x17 n LEU 168 CO 0.02 0.03 0.72 -0.76 -1.33 0.00 0.00 177.39 176.07 2x17 s LEU 169 N -3.60 2.02 0.02 2.23 2.01 -1.22 -4.97 118.68 115.18 2x17 s LEU 169 Ca -0.02 0.95 -0.39 0.00 0.01 0.00 0.00 54.13 54.68 2x17 s LEU 169 Cb 0.03 -3.27 -0.19 0.00 0.01 0.00 0.00 46.19 42.76 2x17 s LEU 169 CO 0.20 -2.54 1.11 0.80 1.01 0.00 0.00 176.35 176.93 2x17 n MET 170 N -3.76 0.23 -2.24 1.70 0.00 -1.26 -4.98 117.12 106.81 2x17 n MET 170 Ca 0.07 0.08 -0.03 0.00 -0.00 0.00 0.00 57.70 57.82 2x17 n MET 170 Cb 0.59 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 32.21 2x17 n MET 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2x17 n GLN 171 N 1.69 1.86 0.00 2.12 6.02 -1.26 -5.12 117.38 122.69 2x17 n GLN 171 Ca 0.20 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2x17 n GLN 171 Cb 0.11 0.10 0.00 0.00 1.02 0.00 0.00 30.24 31.46 2x17 n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46