#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 3.85 0.78 3.17 1.43 -1.26 -5.04 118.68 121.61 2x17 s LEU 2 Ca 0.00 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 2x17 s LEU 2 Cb 0.00 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.80 2x17 s LEU 2 CO 0.00 -1.01 1.08 -0.94 0.23 0.00 0.00 176.35 175.71 2x17 s SER 3 N -1.73 4.52 0.36 2.29 1.04 -1.26 -4.88 113.70 114.05 2x17 s SER 3 Ca 0.69 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.73 2x17 s SER 3 Cb -0.23 -2.32 0.69 0.00 0.10 0.00 0.00 66.02 64.26 2x17 s SER 3 CO 0.27 -1.99 1.99 -0.08 0.98 0.00 0.00 173.24 174.41 2x17 h GLU 4 N -1.10 0.66 -0.17 4.02 4.81 -2.01 -2.13 114.58 118.68 2x17 h GLU 4 Ca -0.46 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.50 2x17 h GLU 4 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2x17 h GLU 4 CO 0.55 0.49 -0.72 -0.09 -0.73 0.00 0.00 179.01 178.52 2x17 h ARG 5 N 0.67 0.72 -0.42 1.92 2.43 -2.01 -3.29 114.38 114.41 2x17 h ARG 5 Ca 0.17 -0.56 -0.14 0.00 -0.81 0.00 0.00 59.98 58.65 2x17 h ARG 5 Cb 0.03 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2x17 h ARG 5 CO -0.03 1.17 -0.28 1.98 -1.51 0.00 0.00 179.97 181.31 2x17 h MET 6 N 0.51 0.93 -0.80 0.20 4.05 -1.85 -2.99 114.93 114.98 2x17 h MET 6 Ca -0.03 -0.44 0.03 0.00 -0.28 0.00 0.00 59.70 58.97 2x17 h MET 6 Cb 1.33 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.07 2x17 h MET 6 CO 0.14 1.10 0.51 1.25 0.23 0.00 0.00 176.91 180.14 2x17 h LEU 7 N 0.75 0.86 -0.55 3.39 5.85 -1.48 -1.57 115.31 122.58 2x17 h LEU 7 Ca 0.08 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2x17 h LEU 7 Cb 0.86 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2x17 h LEU 7 CO 0.08 0.60 -0.50 0.50 -0.34 0.00 0.00 178.44 178.78 2x17 h LYS 8 N 1.02 0.59 -0.29 1.25 3.64 -1.62 -1.41 116.57 119.74 2x17 h LYS 8 Ca 0.31 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2x17 h LYS 8 Cb -0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2x17 h LYS 8 CO -0.10 0.95 -0.15 0.00 -2.27 0.00 0.00 179.45 177.88 2x17 h ALA 9 N 0.98 1.19 -0.06 5.00 0.00 -1.31 0.66 119.26 125.73 2x17 h ALA 9 Ca 0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2x17 h ALA 9 Cb 1.04 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.71 2x17 h ALA 9 CO 0.10 0.52 -0.94 -0.07 0.00 0.00 0.00 179.25 178.86 2x17 h LEU 10 N 0.47 0.91 -0.95 0.00 3.38 -1.23 -2.82 115.31 115.07 2x17 h LEU 10 Ca 0.08 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 2x17 h LEU 10 Cb 0.54 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2x17 h LEU 10 CO 0.03 1.48 -0.15 0.78 0.09 0.00 0.00 178.44 180.67 2x17 h ASN 11 N 0.45 0.59 -0.32 -0.43 2.35 -1.03 -1.35 115.58 115.84 2x17 h ASN 11 Ca -0.10 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.32 2x17 h ASN 11 Cb 1.58 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.79 2x17 h ASN 11 CO 0.19 0.76 -0.44 0.44 -1.65 0.00 0.00 177.43 176.72 2x17 h ASP 12 N 0.54 0.95 -0.30 5.81 3.45 -0.93 -2.44 116.42 123.48 2x17 h ASP 12 Ca 0.09 -0.50 -0.10 0.00 0.43 0.00 0.00 57.03 56.95 2x17 h ASP 12 Cb 0.57 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 2x17 h ASP 12 CO 0.04 1.26 -0.16 -0.61 -1.57 0.00 0.00 179.24 178.20 2x17 h GLN 13 N 0.66 0.76 -1.00 3.56 5.75 -1.42 0.13 115.11 123.54 2x17 h GLN 13 Ca 0.04 -0.27 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 2x17 h GLN 13 Cb 1.04 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.47 2x17 h GLN 13 CO 0.10 0.87 0.64 1.25 -2.65 0.00 0.00 178.83 179.05 2x17 h LEU 14 N 0.67 1.02 -0.33 -2.39 6.46 -1.19 0.22 115.31 119.76 2x17 h LEU 14 Ca 0.11 0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.70 2x17 h LEU 14 Cb 0.65 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2x17 h LEU 14 CO 0.05 0.63 -0.53 -1.13 -0.62 0.00 0.00 178.44 176.84 2x17 h ASN 15 N 1.14 0.95 -0.64 1.25 -0.73 -0.92 -2.49 115.58 114.14 2x17 h ASN 15 Ca 0.44 -0.50 0.01 0.00 1.87 0.00 0.00 56.30 58.12 2x17 h ASN 15 Cb 0.22 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 2x17 h ASN 15 CO -0.18 1.29 0.42 0.03 -0.37 0.00 0.00 177.43 178.62 2x17 h ARG 16 N 0.66 0.83 -0.33 6.67 3.08 0.09 0.34 114.38 125.72 2x17 h ARG 16 Ca 0.02 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2x17 h ARG 16 Cb 1.13 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2x17 h ARG 16 CO 0.12 0.55 -0.13 0.93 -1.07 0.00 0.00 179.97 180.37 2x17 h GLU 17 N 0.86 0.57 -0.15 0.04 4.39 -0.62 -0.73 114.58 118.94 2x17 h GLU 17 Ca 0.24 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 2x17 h GLU 17 Cb -0.09 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2x17 h GLU 17 CO -0.06 0.69 -0.61 -0.07 -1.16 0.00 0.00 179.01 177.81 2x17 h LEU 18 N 0.52 0.60 -0.51 1.33 3.38 -1.02 -2.63 115.31 116.98 2x17 h LEU 18 Ca 0.09 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 2x17 h LEU 18 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2x17 h LEU 18 CO 0.03 1.06 -0.15 0.22 0.09 0.00 0.00 178.44 179.69 2x17 h TYR 19 N 0.39 1.15 -0.66 1.13 3.20 -0.71 -2.35 116.97 119.12 2x17 h TYR 19 Ca -0.01 -0.26 0.10 0.00 3.14 0.00 0.00 58.73 61.71 2x17 h TYR 19 Cb 1.16 -0.28 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 2x17 h TYR 19 CO 0.05 1.08 0.27 0.77 -1.64 0.00 0.00 178.16 178.69 2x17 h SER 20 N 0.88 0.29 -0.90 -2.11 0.02 -1.07 0.56 113.55 111.23 2x17 h SER 20 Ca 0.13 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2x17 h SER 20 Cb 0.73 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2x17 h SER 20 CO 0.06 0.16 0.59 0.00 -1.14 0.00 0.00 176.83 176.50 2x17 h ALA 21 N 1.44 1.15 -0.00 3.77 0.00 -1.31 -1.19 119.26 123.11 2x17 h ALA 21 Ca 0.34 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2x17 h ALA 21 Cb 0.42 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2x17 h ALA 21 CO -0.31 0.55 -0.70 -0.92 0.00 0.00 0.00 179.25 177.87 2x17 h TYR 22 N 1.23 0.03 -0.22 0.00 -0.00 -0.59 -1.71 116.97 115.70 2x17 h TYR 22 Ca 0.33 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.96 2x17 h TYR 22 Cb -0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.59 2x17 h TYR 22 CO -0.01 0.71 -0.21 1.25 -0.00 0.00 0.00 178.16 179.90 2x17 h LEU 23 N 0.01 0.56 -0.95 2.82 5.85 0.42 -1.52 115.31 122.50 2x17 h LEU 23 Ca -0.01 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.13 2x17 h LEU 23 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2x17 h LEU 23 CO 0.09 0.92 -0.52 1.88 -0.34 0.00 0.00 178.44 180.48 2x17 h TYR 24 N 0.21 0.01 0.00 1.25 0.05 -1.22 -0.01 116.97 117.27 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 0.76 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 2x17 h TYR 24 CO 0.08 0.53 -0.44 0.35 -1.05 0.00 0.00 178.16 177.63 2x17 h PHE 25 N 0.01 0.00 -0.08 4.88 -0.00 -1.28 0.46 116.94 120.93 2x17 h PHE 25 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.73 2x17 h PHE 25 Cb 0.92 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.88 2x17 h PHE 25 CO 0.00 0.44 -0.88 0.00 -0.00 0.00 0.00 178.31 177.87 2x17 h ALA 26 N 1.56 0.28 -0.33 2.41 0.00 -0.67 -2.81 119.26 119.70 2x17 h ALA 26 Ca -0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2x17 h ALA 26 Cb 0.85 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2x17 h ALA 26 CO 0.06 0.70 -0.07 0.52 0.00 0.00 0.00 179.25 180.46 2x17 h MET 27 N 0.45 0.54 -0.81 0.00 2.86 -0.81 -2.20 114.93 114.96 2x17 h MET 27 Ca -0.08 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2x17 h MET 27 Cb 1.51 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.07 2x17 h MET 27 CO 0.17 0.62 0.53 0.00 1.06 0.00 0.00 176.91 179.29 2x17 h ALA 28 N 1.42 1.03 -0.51 6.32 0.00 -0.88 -1.65 119.26 125.00 2x17 h ALA 28 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2x17 h ALA 28 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x17 h ALA 28 CO 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 2x17 h ALA 29 N 1.29 1.01 -0.14 0.00 0.00 -1.19 -0.93 119.26 119.30 2x17 h ALA 29 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x17 h ALA 29 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2x17 h ALA 29 CO -0.06 0.61 0.06 -0.92 0.00 0.00 0.00 179.25 178.94 2x17 h TYR 30 N 0.80 0.20 -0.22 0.00 3.20 -1.04 -2.37 116.97 117.54 2x17 h TYR 30 Ca 0.15 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 2x17 h TYR 30 Cb 0.50 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2x17 h TYR 30 CO 0.03 0.26 -0.31 0.74 -1.64 0.00 0.00 178.16 177.24 2x17 h PHE 31 N 0.08 0.51 -0.27 -3.82 0.04 -1.22 -2.85 116.94 109.41 2x17 h PHE 31 Ca 0.05 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2x17 h PHE 31 Cb 0.14 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2x17 h PHE 31 CO -0.02 0.71 -0.08 1.49 -0.60 0.00 0.00 178.31 179.81 2x17 h GLU 32 N 0.39 0.43 -0.40 1.51 4.57 -1.08 -1.10 114.58 118.90 2x17 h GLU 32 Ca 0.05 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 2x17 h GLU 32 Cb 0.74 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2x17 h GLU 32 CO 0.06 0.53 -0.17 0.22 -1.18 0.00 0.00 179.01 178.47 2x17 h ASP 33 N 0.41 0.83 0.81 1.04 3.58 -1.20 -2.99 116.42 118.90 2x17 h ASP 33 Ca 0.08 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2x17 h ASP 33 Cb 0.40 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2x17 h ASP 33 CO 0.02 1.04 0.00 -0.07 -2.88 0.00 0.00 179.24 177.35 2x17 h LEU 34 N 0.62 0.00 0.00 2.28 3.38 -1.36 -3.46 115.31 116.77 2x17 h LEU 34 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2x17 h LEU 34 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2x17 h LEU 34 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2x17 n GLY 35 N -0.20 0.85 3.46 0.83 0.00 -1.06 -5.03 105.19 104.04 2x17 n GLY 35 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 5.10 0.33 0.99 1.43 -0.44 -4.84 118.68 121.25 2x17 s LEU 36 Ca 0.00 -2.85 0.04 0.00 -1.03 0.00 0.00 54.13 50.29 2x17 s LEU 36 Cb 0.00 -2.39 0.57 0.00 0.03 0.00 0.00 46.19 44.39 2x17 s LEU 36 CO 0.00 -0.78 1.84 -0.33 0.23 0.00 0.00 176.35 177.30 2x17 h GLU 37 N 7.42 0.49 -0.39 1.70 5.08 -1.90 -1.66 114.58 125.32 2x17 h GLU 37 Ca 0.28 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2x17 h GLU 37 Cb 0.90 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2x17 h GLU 37 CO 1.21 0.58 -0.03 0.78 -1.00 0.00 0.00 179.01 180.54 2x17 h GLY 38 N 0.88 0.78 1.02 -3.84 0.00 -1.89 0.21 103.07 100.24 2x17 h GLY 38 Ca 0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2x17 h GLY 38 CO 0.02 0.55 0.30 0.74 0.00 0.00 0.00 176.54 178.15 2x17 h PHE 39 N 0.54 1.07 0.04 5.60 -1.00 -1.72 -1.70 116.94 119.77 2x17 h PHE 39 Ca 0.11 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 2x17 h PHE 39 Cb 0.53 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2x17 h PHE 39 CO 0.04 0.82 -0.02 0.00 -1.61 0.00 0.00 178.31 177.54 2x17 h ALA 40 N 1.14 -0.05 0.00 2.45 0.00 -1.08 -2.34 119.26 119.39 2x17 h ALA 40 Ca 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2x17 h ALA 40 Cb 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2x17 h ALA 40 CO -0.02 -0.46 -0.26 -0.91 0.00 0.00 0.00 179.25 177.59 2x17 h ASN 41 N -0.18 0.00 -0.71 0.00 4.21 -0.95 -0.99 115.58 116.96 2x17 h ASN 41 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 2x17 h ASN 41 Cb 0.16 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 2x17 h ASN 41 CO 0.01 0.26 0.17 -0.25 -1.29 0.00 0.00 177.43 176.33 2x17 h TRP 42 N 0.00 1.19 -0.15 1.19 7.01 -1.16 -2.51 115.95 121.53 2x17 h TRP 42 Ca -0.00 -0.14 -0.20 0.00 2.11 0.00 0.00 58.89 60.66 2x17 h TRP 42 Cb 0.53 -0.34 0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2x17 h TRP 42 CO 0.00 0.97 -0.69 0.52 -2.79 0.00 0.00 178.44 176.45 2x17 h MET 43 N 1.07 0.72 -0.97 2.65 2.86 -0.81 -1.91 114.93 118.55 2x17 h MET 43 Ca 0.22 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2x17 h MET 43 Cb 0.37 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 2x17 h MET 43 CO 0.00 1.20 0.62 0.87 1.06 0.00 0.00 176.91 180.66 2x17 h LYS 44 N 0.43 1.30 -0.29 1.72 1.57 -1.23 0.13 116.57 120.20 2x17 h LYS 44 Ca -0.04 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 2x17 h LYS 44 Cb 1.32 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2x17 h LYS 44 CO 0.14 0.88 -0.37 0.00 -0.57 0.00 0.00 179.45 179.53 2x17 h ALA 45 N 1.34 0.80 -0.14 3.86 0.00 -1.44 -2.56 119.26 121.13 2x17 h ALA 45 Ca 0.35 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2x17 h ALA 45 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x17 h ALA 45 CO -0.07 0.65 -0.43 0.37 0.00 0.00 0.00 179.25 179.76 2x17 h GLN 46 N 0.56 0.32 -0.49 0.00 5.75 -0.84 -2.93 115.11 117.49 2x17 h GLN 46 Ca 0.05 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 2x17 h GLN 46 Cb 0.89 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 2x17 h GLN 46 CO 0.08 0.70 0.03 0.00 -2.65 0.00 0.00 178.83 176.99 2x17 h ALA 47 N 1.28 1.14 -0.50 3.38 0.00 -0.58 -2.85 119.26 121.12 2x17 h ALA 47 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2x17 h ALA 47 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2x17 h ALA 47 CO 0.07 0.56 0.07 0.93 0.00 0.00 0.00 179.25 180.88 2x17 h GLU 48 N 0.75 0.79 -0.79 0.00 5.08 -1.28 -2.68 114.58 116.45 2x17 h GLU 48 Ca 0.15 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2x17 h GLU 48 Cb 0.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2x17 h GLU 48 CO 0.01 0.75 0.32 0.93 -1.00 0.00 0.00 179.01 180.03 2x17 h GLU 49 N 0.75 1.18 -0.50 2.33 4.39 -1.37 -2.19 114.58 119.18 2x17 h GLU 49 Ca 0.16 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 2x17 h GLU 49 Cb 0.36 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2x17 h GLU 49 CO 0.01 0.95 -0.06 0.93 -1.16 0.00 0.00 179.01 179.68 2x17 h GLU 50 N 1.15 0.87 -0.70 2.33 4.39 -1.34 -0.13 114.58 121.16 2x17 h GLU 50 Ca 0.26 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2x17 h GLU 50 Cb 0.21 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2x17 h GLU 50 CO -0.02 0.91 0.33 0.82 -1.16 0.00 0.00 179.01 179.89 2x17 h ILE 51 N 0.80 1.23 -0.56 3.13 2.04 -1.34 -0.05 117.51 122.75 2x17 h ILE 51 Ca 0.14 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 2x17 h ILE 51 Cb 0.56 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2x17 h ILE 51 CO 0.03 0.27 0.11 1.23 0.00 0.00 0.00 178.15 179.79 2x17 h GLY 52 N 1.06 0.95 1.55 5.37 0.00 -0.70 -1.61 103.07 109.69 2x17 h GLY 52 Ca 0.24 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2x17 h GLY 52 CO -0.03 0.54 -0.48 0.45 0.00 0.00 0.00 176.54 177.02 2x17 h HIS 53 N 0.84 0.59 -0.35 5.60 3.86 -0.53 -2.61 115.15 122.54 2x17 h HIS 53 Ca 0.18 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2x17 h HIS 53 Cb 0.35 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2x17 h HIS 53 CO 0.02 0.87 -0.13 0.00 0.86 0.00 0.00 177.93 179.55 2x17 h ALA 54 N 1.10 1.14 0.00 2.45 0.00 -0.73 -2.72 119.26 120.49 2x17 h ALA 54 Ca 0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2x17 h ALA 54 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2x17 h ALA 54 CO 0.09 0.54 -0.41 -0.07 0.00 0.00 0.00 179.25 179.40 2x17 h LEU 55 N 0.55 0.00 -0.80 0.00 3.38 -1.16 -2.16 115.31 115.13 2x17 h LEU 55 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2x17 h LEU 55 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2x17 h LEU 55 CO 0.03 0.41 -0.35 0.03 0.09 0.00 0.00 178.44 178.66 2x17 h ARG 56 N 0.00 0.50 -0.23 1.13 3.08 -1.15 0.18 114.38 117.89 2x17 h ARG 56 Ca -0.00 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.67 2x17 h ARG 56 Cb 0.91 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2x17 h ARG 56 CO 0.05 0.78 -0.43 0.74 -1.07 0.00 0.00 179.97 180.05 2x17 h PHE 57 N 0.43 0.87 -0.26 3.04 0.04 -1.42 -2.09 116.94 117.55 2x17 h PHE 57 Ca 0.05 -0.31 0.05 0.00 2.80 0.00 0.00 57.97 60.56 2x17 h PHE 57 Cb 0.81 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 2x17 h PHE 57 CO 0.03 1.09 -0.08 -0.92 -0.60 0.00 0.00 178.31 177.82 2x17 h TYR 58 N 0.41 -0.18 -0.50 -0.55 5.03 -1.17 -1.52 116.97 118.49 2x17 h TYR 58 Ca 0.01 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.27 2x17 h TYR 58 Cb 1.03 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 2x17 h TYR 58 CO 0.08 -0.13 0.00 -0.91 -1.32 0.00 0.00 178.16 175.88 2x17 h ASN 59 N -0.02 0.80 -0.25 -2.11 2.35 -0.66 -3.09 115.58 112.60 2x17 h ASN 59 Ca 0.13 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 2x17 h ASN 59 Cb 0.22 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2x17 h ASN 59 CO -0.28 0.86 -0.42 0.22 -1.65 0.00 0.00 177.43 176.16 2x17 h TYR 60 N 0.77 0.91 -0.47 1.19 3.20 -1.13 -2.38 116.97 119.05 2x17 h TYR 60 Ca 0.15 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.74 2x17 h TYR 60 Cb 0.46 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2x17 h TYR 60 CO 0.03 1.09 0.25 0.82 -1.64 0.00 0.00 178.16 178.71 2x17 h ILE 61 N 0.46 1.00 0.00 1.81 2.04 -1.27 -1.64 117.51 119.91 2x17 h ILE 61 Ca 0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2x17 h ILE 61 Cb 1.02 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2x17 h ILE 61 CO 0.10 0.09 -0.12 1.88 0.00 0.00 0.00 178.15 180.09 2x17 h TYR 62 N 0.50 0.00 0.00 1.37 0.05 -1.58 0.15 116.97 117.46 2x17 h TYR 62 Ca 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.92 2x17 h TYR 62 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2x17 h TYR 62 CO -0.09 0.12 -0.27 -0.44 -1.05 0.00 0.00 178.16 176.44 2x17 h ASP 63 N 0.00 0.00 -0.59 3.88 3.32 -0.78 -3.03 116.42 119.22 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 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2x17 h ASP 63 CO 0.02 0.27 0.00 0.54 -1.72 0.00 0.00 179.24 178.34 2x17 n ARG 64 N -3.36 3.93 -3.17 3.56 5.12 -0.70 -4.95 116.66 117.09 2x17 n ARG 64 Ca 0.01 -2.92 -0.21 0.00 -1.93 0.00 0.00 57.85 52.79 2x17 n ARG 64 Cb 0.48 -1.96 0.05 0.00 -1.16 0.00 0.00 32.46 29.88 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 0.85 -5.79 -0.86 0.55 5.15 -1.13 -3.98 115.26 110.05 2x17 n ASN 65 Ca 0.25 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2x17 n ASN 65 Cb 0.95 -4.53 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 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 -1.62 1.57 2.83 8.20 0.00 0.48 -4.90 105.19 111.75 2x17 n GLY 66 Ca -0.06 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 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 1.22 0.03 -0.12 1.61 6.06 -1.26 -4.60 118.95 121.89 2x17 s ARG 67 Ca 0.00 0.43 -0.27 0.00 -2.50 0.00 0.00 55.73 53.39 2x17 s ARG 67 Cb 0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 34.95 34.72 2x17 s ARG 67 CO 0.00 -0.25 0.87 0.08 -2.50 0.00 0.00 175.30 173.51 2x17 s VAL 68 N 1.76 4.88 -0.15 7.11 1.01 -1.26 -5.01 120.40 128.74 2x17 s VAL 68 Ca -0.02 1.76 0.02 0.00 0.00 0.00 0.00 61.98 63.74 2x17 s VAL 68 Cb -0.12 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2x17 s VAL 68 CO -0.05 0.07 -0.21 -0.70 0.00 0.00 0.00 175.10 174.21 2x17 s GLU 69 N 1.78 3.03 -0.19 2.72 2.12 -1.26 -5.11 118.70 121.79 2x17 s GLU 69 Ca 0.42 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 2x17 s GLU 69 Cb -0.18 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2x17 s GLU 69 CO 0.16 -0.05 0.55 -0.51 -0.54 0.00 0.00 175.26 174.87 2x17 s LEU 70 N 0.92 4.15 0.65 2.70 1.43 -1.26 -4.92 118.68 122.35 2x17 s LEU 70 Ca -0.04 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2x17 s LEU 70 Cb -0.15 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.40 2x17 s LEU 70 CO -0.04 -0.20 0.90 -1.81 0.23 0.00 0.00 176.35 175.43 2x17 s ASP 71 N 1.14 4.72 0.60 2.29 1.01 -1.26 -5.08 116.67 120.09 2x17 s ASP 71 Ca 0.26 -0.31 -0.18 0.00 0.71 0.00 0.00 52.55 53.02 2x17 s ASP 71 Cb -0.16 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.50 2x17 s ASP 71 CO 0.10 -1.58 1.17 -1.83 0.21 0.00 0.00 175.17 173.24 2x17 s GLU 72 N -4.97 2.99 -0.35 8.23 -1.05 -1.26 -5.03 118.70 117.26 2x17 s GLU 72 Ca 0.63 1.69 -0.10 0.00 -0.15 0.00 0.00 54.97 57.04 2x17 s GLU 72 Cb -0.07 -1.95 0.02 0.00 -0.44 0.00 0.00 34.13 31.69 2x17 s GLU 72 CO 0.42 -1.16 0.17 0.42 0.95 0.00 0.00 175.26 176.06 2x17 s ILE 73 N -1.80 4.44 0.80 1.83 1.01 -1.26 -5.06 121.20 121.16 2x17 s ILE 73 Ca 0.74 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 2x17 s ILE 73 Cb -0.27 -3.42 0.08 0.00 0.01 0.00 0.00 42.46 38.86 2x17 s ILE 73 CO 0.34 -0.13 1.16 -2.16 0.00 0.00 0.00 174.94 174.15 2x17 s PRO 74 N 1.55 1.81 0.13 2.79 0.04 -1.26 -4.95 135.00 135.10 2x17 s PRO 74 Ca 0.02 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2x17 s PRO 74 Cb -0.18 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2x17 s PRO 74 CO 0.06 -2.05 1.49 0.21 0.04 0.00 0.00 177.00 176.75 2x17 s LYS 75 N -4.33 4.26 0.42 4.56 2.20 -1.26 -5.02 119.74 120.57 2x17 s LYS 75 Ca 0.69 2.22 -0.10 0.00 -0.36 0.00 0.00 55.97 58.43 2x17 s LYS 75 Cb -0.25 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 2x17 s LYS 75 CO 0.51 -0.54 0.78 -1.25 -0.36 0.00 0.00 175.35 174.49 2x17 s PRO 76 N 1.25 3.73 0.31 4.03 0.04 -1.26 -5.04 135.00 138.07 2x17 s PRO 76 Ca 0.68 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2x17 s PRO 76 Cb -0.40 -2.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.64 2x17 s PRO 76 CO 0.31 -0.08 1.41 -2.30 0.04 0.00 0.00 177.00 176.37 2x17 n PRO 77 N -1.51 2.30 0.02 0.56 -0.02 -1.26 -4.95 135.00 130.14 2x17 n PRO 77 Ca 0.02 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 2x17 n PRO 77 Cb 0.54 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.41 0.22 -5.17 -0.52 3.64 -1.96 -3.45 116.57 112.74 2x17 h LYS 78 Ca -0.47 -0.37 -0.35 0.00 -1.27 0.00 0.00 60.65 58.19 2x17 h LYS 78 Cb 1.26 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 33.07 2x17 h LYS 78 CO 0.69 1.17 -0.72 -1.21 -2.27 0.00 0.00 179.45 177.10 2x17 s GLU 79 N -2.41 1.08 0.12 1.90 2.02 -1.26 -4.65 118.70 115.50 2x17 s GLU 79 Ca -0.15 -1.42 0.04 0.00 0.02 0.00 0.00 54.97 53.45 2x17 s GLU 79 Cb -0.00 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 2x17 s GLU 79 CO 0.79 0.10 -0.10 -1.58 0.02 0.00 0.00 175.26 174.50 2x17 s TRP 80 N -3.07 1.13 0.22 1.61 0.51 -1.26 -5.07 118.94 113.01 2x17 s TRP 80 Ca 0.16 -0.73 -0.05 0.00 -2.12 0.00 0.00 56.10 53.36 2x17 s TRP 80 Cb 0.01 -0.60 0.19 0.00 -0.81 0.00 0.00 33.47 32.26 2x17 s TRP 80 CO 0.02 0.02 1.66 0.93 -0.51 0.00 0.00 176.95 179.06 2x17 h GLU 81 N 3.18 0.85 -3.29 4.98 5.08 -2.01 -3.46 114.58 119.91 2x17 h GLU 81 Ca -0.37 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.63 2x17 h GLU 81 Cb 1.19 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 2x17 h GLU 81 CO 0.58 0.93 -0.12 -1.54 -1.00 0.00 0.00 179.01 177.87 2x17 s SER 82 N -6.69 -0.22 0.55 1.42 1.04 -1.26 -4.99 113.70 103.54 2x17 s SER 82 Ca -0.10 -0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.39 2x17 s SER 82 Cb 0.13 0.44 1.45 0.00 0.10 0.00 0.00 66.02 68.14 2x17 s SER 82 CO 0.84 -0.76 1.95 -0.65 0.98 0.00 0.00 173.24 175.60 2x17 h PRO 83 N 2.68 0.00 -0.26 4.02 0.11 -1.99 0.11 132.00 136.67 2x17 h PRO 83 Ca -0.33 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 2x17 h PRO 83 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2x17 h PRO 83 CO 0.46 0.00 -0.07 1.25 -0.21 0.00 0.00 178.00 179.43 2x17 h LEU 84 N 0.00 0.52 -1.02 2.35 5.85 -1.95 -2.87 115.31 118.19 2x17 h LEU 84 Ca 0.29 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2x17 h LEU 84 Cb 1.23 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2x17 h LEU 84 CO -0.00 0.78 -0.46 0.11 -0.34 0.00 0.00 178.44 178.53 2x17 h LYS 85 N 0.26 0.08 -0.50 1.25 1.79 -1.43 -1.21 116.57 116.81 2x17 h LYS 85 Ca 0.07 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2x17 h LYS 85 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2x17 h LYS 85 CO 0.03 0.52 0.04 0.00 -1.08 0.00 0.00 179.45 178.95 2x17 h ALA 86 N 1.48 0.66 0.00 3.86 0.00 -0.87 -1.02 119.26 123.37 2x17 h ALA 86 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2x17 h ALA 86 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2x17 h ALA 86 CO 0.06 0.44 -0.42 0.74 0.00 0.00 0.00 179.25 180.07 2x17 h PHE 87 N 0.72 0.00 -0.24 0.00 0.04 -1.39 -1.62 116.94 114.45 2x17 h PHE 87 Ca 0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 2x17 h PHE 87 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2x17 h PHE 87 CO 0.03 0.42 -0.25 0.93 -0.60 0.00 0.00 178.31 178.84 2x17 h GLU 88 N 0.00 0.46 -0.06 1.51 5.08 -0.97 -1.01 114.58 119.58 2x17 h GLU 88 Ca -0.00 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 2x17 h GLU 88 Cb 1.10 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2x17 h GLU 88 CO 0.05 0.68 -0.77 0.00 -1.00 0.00 0.00 179.01 177.97 2x17 h ALA 89 N 1.33 0.54 -0.30 3.43 0.00 -0.96 -2.95 119.26 120.36 2x17 h ALA 89 Ca 0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2x17 h ALA 89 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x17 h ALA 89 CO 0.05 0.77 -0.33 0.00 0.00 0.00 0.00 179.25 179.74 2x17 h ALA 90 N 0.89 0.45 0.00 0.00 0.00 -1.10 -1.90 119.26 117.60 2x17 h ALA 90 Ca -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 90 Cb 1.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2x17 h ALA 90 CO 0.13 0.50 -0.46 -0.92 0.00 0.00 0.00 179.25 178.50 2x17 h TYR 91 N 0.52 0.00 -0.32 0.00 3.20 -1.27 -0.01 116.97 119.09 2x17 h TYR 91 Ca 0.04 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.75 2x17 h TYR 91 Cb 0.91 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 2x17 h TYR 91 CO 0.07 0.46 -0.46 1.49 -1.64 0.00 0.00 178.16 178.09 2x17 h GLU 92 N 0.00 0.84 -0.10 1.82 4.81 -1.47 -2.81 114.58 117.68 2x17 h GLU 92 Ca -0.00 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 58.63 2x17 h GLU 92 Cb 0.84 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2x17 h GLU 92 CO 0.06 1.11 -0.48 1.25 -0.73 0.00 0.00 179.01 180.22 2x17 h HIS 93 N 0.67 0.30 -0.24 0.92 2.76 -0.89 -1.48 115.15 117.18 2x17 h HIS 93 Ca 0.04 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 2x17 h HIS 93 Cb 1.04 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 2x17 h HIS 93 CO 0.06 0.68 -0.30 0.93 -1.30 0.00 0.00 177.93 178.01 2x17 h GLU 94 N 0.20 0.48 0.00 5.26 4.39 -0.99 -0.64 114.58 123.27 2x17 h GLU 94 Ca 0.01 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 2x17 h GLU 94 Cb 0.93 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2x17 h GLU 94 CO 0.07 0.73 -0.54 0.87 -1.16 0.00 0.00 179.01 178.98 2x17 h LYS 95 N 0.42 0.00 -0.41 2.33 1.57 -1.30 -1.57 116.57 117.60 2x17 h LYS 95 Ca 0.05 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 2x17 h LYS 95 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2x17 h LYS 95 CO 0.06 0.54 -0.32 0.35 -0.57 0.00 0.00 179.45 179.51 2x17 h PHE 96 N 0.00 1.10 -0.15 -1.35 3.57 -0.73 -2.12 116.94 117.26 2x17 h PHE 96 Ca -0.01 -0.30 -0.11 0.00 3.53 0.00 0.00 57.97 61.08 2x17 h PHE 96 Cb 1.05 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2x17 h PHE 96 CO 0.00 1.12 -0.34 0.82 -2.23 0.00 0.00 178.31 177.69 2x17 h ILE 97 N 0.78 1.36 -0.67 1.41 1.08 -1.08 -2.86 117.51 117.52 2x17 h ILE 97 Ca 0.08 -1.60 0.03 0.00 -0.39 0.00 0.00 64.86 62.97 2x17 h ILE 97 Cb 0.90 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 36.62 2x17 h ILE 97 CO 0.08 0.48 0.44 0.28 -0.69 0.00 0.00 178.15 178.75 2x17 h SER 98 N 0.12 0.71 -0.32 1.72 0.02 -1.31 -1.21 113.55 113.29 2x17 h SER 98 Ca 0.00 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 2x17 h SER 98 Cb 0.94 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2x17 h SER 98 CO 0.07 0.50 -0.39 0.50 -1.14 0.00 0.00 176.83 176.37 2x17 h LYS 99 N 0.83 0.83 0.00 3.45 3.64 -1.41 -1.16 116.57 122.75 2x17 h LYS 99 Ca 0.26 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2x17 h LYS 99 Cb 0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2x17 h LYS 99 CO -0.07 1.10 -0.32 0.66 -2.27 0.00 0.00 179.45 178.55 2x17 h SER 100 N 0.60 0.00 -0.13 4.20 4.64 -1.22 -0.25 113.55 121.39 2x17 h SER 100 Ca 0.04 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 2x17 h SER 100 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2x17 h SER 100 CO 0.09 0.32 -0.54 0.40 -0.87 0.00 0.00 176.83 176.24 2x17 h ILE 101 N 0.00 1.30 -0.74 0.95 1.08 -1.10 -2.24 117.51 116.75 2x17 h ILE 101 Ca -0.00 -1.75 -0.06 0.00 -0.39 0.00 0.00 64.86 62.66 2x17 h ILE 101 Cb 0.60 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 2x17 h ILE 101 CO 0.04 0.56 0.23 1.88 -0.69 0.00 0.00 178.15 180.17 2x17 h TYR 102 N 0.55 1.20 -0.50 1.37 0.05 -0.47 -1.03 116.97 118.14 2x17 h TYR 102 Ca 0.01 -0.12 -0.10 0.00 0.05 0.00 0.00 58.73 58.58 2x17 h TYR 102 Cb 1.11 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2x17 h TYR 102 CO 0.06 0.94 -0.07 0.93 -1.05 0.00 0.00 178.16 178.97 2x17 h GLU 103 N 1.10 0.89 -0.52 4.88 5.08 -1.05 -0.05 114.58 124.92 2x17 h GLU 103 Ca 0.24 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2x17 h GLU 103 Cb 0.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2x17 h GLU 103 CO -0.01 0.93 0.00 -0.07 -1.00 0.00 0.00 179.01 178.87 2x17 h LEU 104 N 0.81 0.84 -0.54 1.33 3.38 -1.20 -1.18 115.31 118.76 2x17 h LEU 104 Ca 0.14 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2x17 h LEU 104 Cb 0.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2x17 h LEU 104 CO 0.04 0.91 -0.56 0.00 0.09 0.00 0.00 178.44 178.91 2x17 h ALA 105 N 1.19 0.72 -0.30 1.53 0.00 -0.91 -1.63 119.26 119.86 2x17 h ALA 105 Ca 0.15 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2x17 h ALA 105 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2x17 h ALA 105 CO 0.02 0.69 -0.35 0.00 0.00 0.00 0.00 179.25 179.62 2x17 h ALA 106 N 1.01 0.83 -0.16 0.00 0.00 -0.90 -2.52 119.26 117.52 2x17 h ALA 106 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2x17 h ALA 106 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2x17 h ALA 106 CO 0.10 0.64 -0.47 1.25 0.00 0.00 0.00 179.25 180.78 2x17 h LEU 107 N 0.56 0.43 -0.26 0.00 5.85 -1.12 -2.59 115.31 118.18 2x17 h LEU 107 Ca 0.06 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 2x17 h LEU 107 Cb 0.86 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2x17 h LEU 107 CO 0.07 0.84 -0.37 0.00 -0.34 0.00 0.00 178.44 178.64 2x17 h ALA 108 N 1.18 0.40 -0.25 1.25 0.00 -1.20 -2.62 119.26 118.01 2x17 h ALA 108 Ca 0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2x17 h ALA 108 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2x17 h ALA 108 CO 0.08 0.47 -0.31 0.93 0.00 0.00 0.00 179.25 180.43 2x17 h GLU 109 N 0.44 0.52 -0.43 0.00 5.08 -1.48 -0.08 114.58 118.63 2x17 h GLU 109 Ca 0.03 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2x17 h GLU 109 Cb 0.96 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2x17 h GLU 109 CO 0.09 0.77 0.05 1.49 -1.00 0.00 0.00 179.01 180.41 2x17 h GLU 110 N 0.45 0.72 -0.00 2.33 4.81 -1.44 -2.73 114.58 118.71 2x17 h GLU 110 Ca 0.06 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2x17 h GLU 110 Cb 0.76 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2x17 h GLU 110 CO 0.06 0.77 -0.00 0.39 -0.73 0.00 0.00 179.01 179.49 2x17 n GLU 111 N -4.47 1.00 -2.38 1.92 1.02 -0.99 -4.90 120.64 111.84 2x17 n GLU 111 Ca -0.00 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 56.86 2x17 n GLU 111 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.92 -1.77 -2.76 3.49 5.02 -1.01 -4.93 118.16 115.28 2x17 n LYS 112 Ca 0.23 0.95 -0.43 0.00 -2.02 0.00 0.00 58.31 57.04 2x17 n LYS 112 Cb 0.15 -5.60 -0.02 0.00 -0.02 0.00 0.00 35.03 29.54 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 -2.07 6.70 0.36 4.39 -1.08 -0.07 -4.85 116.67 120.05 2x17 s ASP 113 Ca 0.00 -2.09 0.10 0.00 -0.52 0.00 0.00 52.55 50.04 2x17 s ASP 113 Cb 0.00 -2.48 0.68 0.00 -1.46 0.00 0.00 42.92 39.66 2x17 s ASP 113 CO 0.00 -1.16 1.83 1.88 0.52 0.00 0.00 175.17 178.24 2x17 h TYR 114 N 8.64 0.17 -0.18 -5.34 -1.99 -1.92 -2.54 116.97 113.81 2x17 h TYR 114 Ca 0.25 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 2x17 h TYR 114 Cb 0.97 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 2x17 h TYR 114 CO 1.23 0.43 0.06 0.77 -0.00 0.00 0.00 178.16 180.65 2x17 h SER 115 N 0.14 0.26 0.53 3.88 0.02 -1.96 -0.91 113.55 115.50 2x17 h SER 115 Ca 0.02 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.64 2x17 h SER 115 Cb 0.58 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2x17 h SER 115 CO 0.04 0.39 -0.60 0.74 -1.14 0.00 0.00 176.83 176.26 2x17 h THR 116 N 0.12 1.42 -0.29 -2.27 2.02 -1.94 -2.12 112.91 109.84 2x17 h THR 116 Ca 0.06 -2.04 -0.04 0.00 0.77 0.00 0.00 66.41 65.16 2x17 h THR 116 Cb 0.22 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2x17 h THR 116 CO -0.00 0.59 0.03 -0.09 0.37 0.00 0.00 175.52 176.42 2x17 h ARG 117 N 0.05 0.49 -0.10 6.66 9.65 -1.33 -1.77 114.38 128.03 2x17 h ARG 117 Ca -0.01 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 2x17 h ARG 117 Cb 1.08 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 2x17 h ARG 117 CO 0.08 0.61 -0.33 0.00 2.80 0.00 0.00 179.97 183.13 2x17 h ALA 118 N 0.86 1.25 -0.45 2.80 0.00 -1.10 -2.86 119.26 119.77 2x17 h ALA 118 Ca 0.09 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2x17 h ALA 118 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2x17 h ALA 118 CO 0.01 0.51 -0.24 0.35 0.00 0.00 0.00 179.25 179.88 2x17 h PHE 119 N 0.18 1.08 0.00 0.00 3.57 -1.28 -3.19 116.94 117.30 2x17 h PHE 119 Ca 0.02 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2x17 h PHE 119 Cb 0.68 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2x17 h PHE 119 CO 0.01 1.07 0.00 -0.07 -2.23 0.00 0.00 178.31 177.09 2x17 h LEU 120 N 0.80 0.00 -1.23 0.59 3.38 -1.11 -3.20 115.31 114.55 2x17 h LEU 120 Ca 0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2x17 h LEU 120 Cb 0.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2x17 h LEU 120 CO 0.07 0.00 0.54 -0.08 0.09 0.00 0.00 178.44 179.06 2x17 h GLU 121 N 0.00 0.94 -0.76 1.13 4.57 -1.49 -1.42 114.58 117.56 2x17 h GLU 121 Ca 0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2x17 h GLU 121 Cb 0.66 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 2x17 h GLU 121 CO 0.00 0.62 0.48 2.35 -1.18 0.00 0.00 179.01 181.28 2x17 h TRP 122 N 0.97 0.89 -0.02 0.92 7.01 -1.73 -2.51 115.95 121.49 2x17 h TRP 122 Ca 0.34 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.22 2x17 h TRP 122 Cb 0.12 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2x17 h TRP 122 CO -0.00 0.51 -0.68 0.74 -2.79 0.00 0.00 178.44 176.22 2x17 h PHE 123 N 0.93 0.11 0.10 2.65 0.04 -1.48 -1.12 116.94 118.18 2x17 h PHE 123 Ca 0.30 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 2x17 h PHE 123 Cb 0.03 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2x17 h PHE 123 CO -0.04 0.74 -0.05 0.82 -0.60 0.00 0.00 178.31 179.18 2x17 h ILE 124 N 0.06 1.00 -0.62 -0.55 2.04 -1.09 0.48 117.51 118.82 2x17 h ILE 124 Ca -0.01 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2x17 h ILE 124 Cb 1.21 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2x17 h ILE 124 CO 0.09 0.09 0.23 0.78 0.00 0.00 0.00 178.15 179.34 2x17 h ASN 125 N -0.29 0.85 -0.61 1.72 2.35 -1.44 -2.78 115.58 115.37 2x17 h ASN 125 Ca -0.01 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2x17 h ASN 125 Cb 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2x17 h ASN 125 CO 0.02 0.77 0.03 -0.08 -1.65 0.00 0.00 177.43 176.52 2x17 h GLU 126 N 0.90 1.05 0.00 0.81 4.22 -1.08 -3.06 114.58 117.43 2x17 h GLU 126 Ca 0.21 -0.32 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 2x17 h GLU 126 Cb 0.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2x17 h GLU 126 CO -0.02 1.02 -0.23 1.96 -2.18 0.00 0.00 179.01 179.56 2x17 h GLN 127 N 0.95 0.00 -0.70 1.92 1.08 -0.66 -1.86 115.11 115.85 2x17 h GLN 127 Ca 0.17 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 2x17 h GLN 127 Cb 0.53 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2x17 h GLN 127 CO 0.03 0.23 0.16 0.28 -0.95 0.00 0.00 178.83 178.58 2x17 h VAL 128 N 0.00 1.26 -0.11 -0.54 2.07 -1.39 -1.64 116.25 115.90 2x17 h VAL 128 Ca -0.00 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2x17 h VAL 128 Cb 0.60 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2x17 h VAL 128 CO 0.03 0.38 -0.05 -0.33 0.02 0.00 0.00 177.57 177.61 2x17 h GLU 129 N 1.06 0.23 -0.30 1.57 5.08 -1.44 -2.84 114.58 117.93 2x17 h GLU 129 Ca 0.22 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2x17 h GLU 129 Cb 0.39 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2x17 h GLU 129 CO 0.00 0.58 0.03 0.93 -1.00 0.00 0.00 179.01 179.56 2x17 h GLU 130 N -0.12 0.12 0.24 2.33 4.39 -1.27 0.55 114.58 120.83 2x17 h GLU 130 Ca 0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2x17 h GLU 130 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2x17 h GLU 130 CO 0.02 0.08 -0.12 0.93 -1.16 0.00 0.00 179.01 178.76 2x17 h GLU 131 N 0.13 -0.31 -0.61 2.33 5.08 -1.39 -2.16 114.58 117.65 2x17 h GLU 131 Ca 0.14 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2x17 h GLU 131 Cb 0.17 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2x17 h GLU 131 CO -0.21 -0.17 0.37 0.00 -1.00 0.00 0.00 179.01 177.99 2x17 h ALA 132 N 0.38 1.51 -0.66 3.43 0.00 -1.34 0.16 119.26 122.73 2x17 h ALA 132 Ca -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2x17 h ALA 132 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2x17 h ALA 132 CO 0.05 0.43 0.08 1.03 0.00 0.00 0.00 179.25 180.85 2x17 h SER 133 N 0.83 1.06 0.22 0.00 0.87 -0.73 -0.42 113.55 115.38 2x17 h SER 133 Ca 0.22 -0.27 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 2x17 h SER 133 Cb -0.04 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2x17 h SER 133 CO -0.04 1.07 -1.18 0.58 -0.53 0.00 0.00 176.83 176.73 2x17 h VAL 134 N 1.02 1.33 -0.67 2.23 2.07 -0.97 -3.26 116.25 118.00 2x17 h VAL 134 Ca 0.20 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 2x17 h VAL 134 Cb 0.47 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2x17 h VAL 134 CO 0.02 0.76 0.28 0.50 0.02 0.00 0.00 177.57 179.14 2x17 h LYS 135 N 0.25 0.97 -0.80 1.57 1.63 -0.61 -0.77 116.57 118.83 2x17 h LYS 135 Ca -0.16 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2x17 h LYS 135 Cb 1.85 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 33.26 2x17 h LYS 135 CO 0.22 0.79 0.52 -0.22 -3.45 0.00 0.00 179.45 177.30 2x17 h LYS 136 N 0.96 1.00 0.06 1.90 3.64 -1.14 -1.30 116.57 121.69 2x17 h LYS 136 Ca 0.23 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.31 2x17 h LYS 136 Cb 0.17 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2x17 h LYS 136 CO -0.02 0.66 -1.10 0.82 -2.27 0.00 0.00 179.45 177.54 2x17 h ILE 137 N 1.03 1.60 -0.23 2.00 2.04 -1.54 -3.13 117.51 119.29 2x17 h ILE 137 Ca 0.31 -3.19 -0.00 0.00 1.00 0.00 0.00 64.86 62.97 2x17 h ILE 137 Cb -0.05 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2x17 h ILE 137 CO -0.09 0.92 0.13 0.25 0.00 0.00 0.00 178.15 179.36 2x17 h LEU 138 N 0.04 0.28 -1.43 1.44 6.46 -0.92 -2.49 115.31 118.69 2x17 h LEU 138 Ca -0.07 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2x17 h LEU 138 Cb 1.84 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.67 2x17 h LEU 138 CO 0.16 0.27 0.39 0.44 -0.62 0.00 0.00 178.44 179.09 2x17 h ASP 139 N 0.27 0.66 0.68 1.25 3.32 -1.30 -1.36 116.42 119.93 2x17 h ASP 139 Ca 0.08 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2x17 h ASP 139 Cb 0.05 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2x17 h ASP 139 CO -0.01 0.47 -0.39 0.11 -1.72 0.00 0.00 179.24 177.70 2x17 h LYS 140 N 0.77 0.00 0.00 3.56 1.57 -1.46 -0.71 116.57 120.31 2x17 h LYS 140 Ca 0.22 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 2x17 h LYS 140 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2x17 h LYS 140 CO -0.05 0.39 -0.94 -0.07 -0.57 0.00 0.00 179.45 178.21 2x17 h LEU 141 N 0.00 0.00 -0.76 2.94 3.38 -0.83 -2.30 115.31 117.74 2x17 h LEU 141 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2x17 h LEU 141 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2x17 h LEU 141 CO 0.05 0.94 -0.33 0.11 0.09 0.00 0.00 178.44 179.30 2x17 h LYS 142 N 0.00 0.56 0.00 1.13 1.57 -1.15 -3.04 116.57 115.65 2x17 h LYS 142 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2x17 h LYS 142 Cb 1.71 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.00 2x17 h LYS 142 CO 0.12 0.82 0.00 0.35 -0.57 0.00 0.00 179.45 180.17 2x17 h PHE 143 N 0.48 0.00 -2.11 -1.35 3.57 -0.93 -3.29 116.94 113.31 2x17 h PHE 143 Ca 0.05 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 61.00 2x17 h PHE 143 Cb 0.81 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 39.14 2x17 h PHE 143 CO 0.03 0.00 -0.89 0.00 -2.23 0.00 0.00 178.31 175.22 2x17 n ALA 144 N -1.86 3.26 0.14 2.41 0.00 -0.88 -4.97 120.51 118.60 2x17 n ALA 144 Ca 0.02 -4.05 -0.06 0.00 0.00 0.00 0.00 53.44 49.35 2x17 n ALA 144 Cb 0.25 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 3.60 -0.36 -2.01 0.00 1.57 -1.63 -3.36 116.57 114.38 2x17 h LYS 145 Ca 0.12 0.02 -0.71 0.00 -1.87 0.00 0.00 60.65 58.22 2x17 h LYS 145 Cb 0.76 0.08 -0.33 0.00 0.08 0.00 0.00 32.23 32.82 2x17 h LYS 145 CO 0.65 -0.24 0.34 -0.25 -0.57 0.00 0.00 179.45 179.38 2x17 n ASP 146 N -3.32 6.30 -3.48 0.86 8.00 -1.26 -4.89 116.55 118.75 2x17 n ASP 146 Ca -0.05 -3.75 -0.23 0.00 0.71 0.00 0.00 54.79 51.47 2x17 n ASP 146 Cb 0.15 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.26 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 -2.14 2.64 0.55 -2.24 0.15 -1.26 -4.98 113.70 106.42 2x17 s SER 147 Ca 0.47 -1.01 0.34 0.00 0.70 0.00 0.00 55.95 56.45 2x17 s SER 147 Cb 0.34 0.05 1.50 0.00 -1.71 0.00 0.00 66.02 66.20 2x17 s SER 147 CO -0.24 -0.41 2.04 -0.65 1.20 0.00 0.00 173.24 175.18 2x17 h PRO 148 N 8.34 0.00 -0.57 5.44 0.11 -1.90 -3.05 132.00 140.37 2x17 h PRO 148 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 2x17 h PRO 148 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2x17 h PRO 148 CO 0.39 0.04 0.17 1.96 -0.21 0.00 0.00 178.00 180.35 2x17 h GLN 149 N 0.00 0.90 0.00 1.05 7.50 -1.99 -0.89 115.11 121.68 2x17 h GLN 149 Ca -0.00 -0.20 -0.11 0.00 0.50 0.00 0.00 58.65 58.84 2x17 h GLN 149 Cb 0.43 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.82 2x17 h GLN 149 CO 0.01 0.82 -0.71 0.82 -1.50 0.00 0.00 178.83 178.27 2x17 h ILE 150 N 0.81 0.70 -0.18 2.54 2.04 -1.94 -2.68 117.51 118.80 2x17 h ILE 150 Ca 0.18 -2.06 -0.13 0.00 1.00 0.00 0.00 64.86 63.86 2x17 h ILE 150 Cb 0.30 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2x17 h ILE 150 CO -0.00 0.40 -0.43 0.25 0.00 0.00 0.00 178.15 178.36 2x17 h LEU 151 N 0.00 0.46 -0.27 1.44 5.85 -1.42 -0.58 115.31 120.79 2x17 h LEU 151 Ca -0.04 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 2x17 h LEU 151 Cb 1.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2x17 h LEU 151 CO 0.05 0.84 -0.07 0.15 -0.34 0.00 0.00 178.44 179.08 2x17 h PHE 152 N 0.36 0.59 0.00 1.25 3.57 -1.11 -2.28 116.94 119.31 2x17 h PHE 152 Ca 0.03 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.27 2x17 h PHE 152 Cb 0.91 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2x17 h PHE 152 CO 0.03 0.73 -0.61 0.52 -2.23 0.00 0.00 178.31 176.75 2x17 h MET 153 N 0.27 0.00 -0.38 1.11 2.86 -1.44 -2.99 114.93 114.37 2x17 h MET 153 Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2x17 h MET 153 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2x17 h MET 153 CO 0.03 0.61 -0.30 -0.07 1.06 0.00 0.00 176.91 178.23 2x17 h LEU 154 N 0.00 0.85 -0.68 1.22 3.38 -1.11 -2.79 115.31 116.18 2x17 h LEU 154 Ca -0.01 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2x17 h LEU 154 Cb 1.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2x17 h LEU 154 CO 0.08 1.08 0.44 -0.78 0.09 0.00 0.00 178.44 179.35 2x17 h ASP 155 N 0.69 0.73 -0.35 -0.43 3.58 -1.27 -2.21 116.42 117.16 2x17 h ASP 155 Ca 0.08 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 2x17 h ASP 155 Cb 0.84 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 2x17 h ASP 155 CO 0.07 0.51 -0.25 0.50 -2.88 0.00 0.00 179.24 177.19 2x17 h LYS 156 N 0.86 0.86 -0.74 0.28 3.64 -1.53 -2.41 116.57 117.53 2x17 h LYS 156 Ca 0.27 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2x17 h LYS 156 Cb -0.02 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2x17 h LYS 156 CO -0.09 1.01 0.36 0.93 -2.27 0.00 0.00 179.45 179.38 2x17 h GLU 157 N 0.74 1.06 0.00 1.90 5.08 -1.20 -2.71 114.58 119.46 2x17 h GLU 157 Ca 0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2x17 h GLU 157 Cb 0.79 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2x17 h GLU 157 CO 0.07 0.82 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.68 2x17 h LEU 158 N 1.06 0.00 0.00 1.33 3.38 -1.34 -3.22 115.31 116.52 2x17 h LEU 158 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2x17 h LEU 158 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x17 h LEU 158 CO -0.03 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.97 2x17 n SER 159 N -2.68 0.00 0.07 -0.43 3.41 -0.91 -1.71 113.62 111.36 2x17 n SER 159 Ca 0.04 0.26 -0.01 0.00 -0.26 0.00 0.00 58.87 58.90 2x17 n SER 159 Cb 0.49 -0.38 0.26 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.60 1.21 -2.61 7.33 0.00 -1.65 -3.41 119.26 122.72 2x17 h ALA 160 Ca 0.00 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 54.00 2x17 h ALA 160 Cb 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2x17 h ALA 160 CO 0.00 0.52 0.11 0.50 0.00 0.00 0.00 179.25 180.38 2x17 s ARG 161 N -4.44 4.28 0.05 0.00 3.52 -0.70 -5.07 118.95 116.59 2x17 s ARG 161 Ca -0.06 0.69 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 2x17 s ARG 161 Cb 0.14 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 2x17 s ARG 161 CO 0.77 -0.15 -0.09 0.00 -0.81 0.00 0.00 175.30 175.02 2x17 s ALA 162 N 1.60 0.72 0.31 6.12 0.00 -1.26 -3.86 121.76 125.38 2x17 s ALA 162 Ca 0.31 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 2x17 s ALA 162 Cb -0.16 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 22.87 2x17 s ALA 162 CO 0.12 0.01 1.52 -1.25 0.00 0.00 0.00 175.76 176.16 2x17 s PRO 163 N -1.69 4.16 0.04 0.00 0.04 -1.26 -4.76 135.00 131.54 2x17 s PRO 163 Ca -0.07 2.50 0.19 0.00 0.04 0.00 0.00 61.00 63.66 2x17 s PRO 163 Cb -0.09 -3.03 -0.16 0.00 0.04 0.00 0.00 34.50 31.26 2x17 s PRO 163 CO 0.01 -0.54 0.72 1.63 0.04 0.00 0.00 177.00 178.86 2x17 n LYS 164 N 1.65 0.63 -0.03 4.56 5.02 -1.26 -4.48 118.16 124.25 2x17 n LYS 164 Ca 0.05 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 2x17 n LYS 164 Cb 0.39 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.21 -1.02 -0.35 5.85 -1.98 -3.38 115.31 114.64 2x17 h LEU 165 Ca -0.15 -0.62 0.32 0.00 0.84 0.00 0.00 57.88 58.28 2x17 h LEU 165 Cb 1.45 -0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.27 2x17 h LEU 165 CO 0.03 0.79 0.58 -0.65 -0.34 0.00 0.00 178.44 178.85 2x17 h PRO 166 N -0.36 0.32 0.00 5.25 0.11 -2.00 0.19 132.00 135.50 2x17 h PRO 166 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2x17 h PRO 166 Cb 0.77 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2x17 h PRO 166 CO 0.03 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.44 2x17 n GLY 167 N -1.30 -1.11 0.01 -0.55 0.00 -1.26 -3.67 105.19 97.30 2x17 n GLY 167 Ca 0.32 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.21 0.09 0.00 0.99 4.77 0.65 -5.02 117.00 117.27 2x17 n LEU 168 Ca 0.15 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 2x17 n LEU 168 Cb 0.19 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.50 2x17 n LEU 168 CO 0.20 0.02 0.48 0.18 -1.33 0.00 0.00 177.39 176.94 2x17 n LEU 169 N -1.89 0.00 -4.55 2.23 7.99 -1.20 -4.88 117.00 114.69 2x17 n LEU 169 Ca -0.02 -0.94 -0.46 0.00 -0.01 0.00 0.00 56.01 54.58 2x17 n LEU 169 Cb 0.34 -0.85 -0.02 0.00 -0.11 0.00 0.00 43.42 42.78 2x17 n LEU 169 CO 0.29 -2.10 0.48 1.15 -1.51 0.00 0.00 177.39 175.70 2x17 n MET 170 N -4.49 1.05 0.00 3.23 0.00 -1.26 -5.12 117.12 110.54 2x17 n MET 170 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 57.70 58.20 2x17 n MET 170 Cb 0.50 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 32.04 2x17 n MET 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97