#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptu h MET 3 N 0.00 0.00 -0.14 3.44 -0.00 -1.86 0.59 114.93 116.97 1ptu h MET 3 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1ptu h MET 3 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1ptu h MET 3 CO 0.00 0.45 -0.44 1.49 -0.00 0.00 0.00 176.91 178.42 1ptu h GLU 4 N 0.00 0.33 0.36 -0.10 4.81 -1.98 0.98 114.58 118.99 1ptu h GLU 4 Ca -0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1ptu h GLU 4 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1ptu h GLU 4 CO 0.06 0.71 -0.17 0.87 -0.73 0.00 0.00 179.01 179.75 1ptu h LYS 5 N 0.28 -0.47 -0.53 1.92 1.57 -1.74 -1.07 116.57 116.52 1ptu h LYS 5 Ca 0.02 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1ptu h LYS 5 Cb 0.88 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 1ptu h LYS 5 CO 0.07 -0.15 0.18 1.49 -0.57 0.00 0.00 179.45 180.47 1ptu h GLU 6 N -0.84 0.34 -0.50 3.15 4.81 -0.62 0.23 114.58 121.16 1ptu h GLU 6 Ca -0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ptu h GLU 6 Cb 0.53 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1ptu h GLU 6 CO 0.08 0.23 0.33 0.35 -0.73 0.00 0.00 179.01 179.26 1ptu h PHE 7 N 0.35 0.62 -0.73 0.92 3.04 0.10 0.41 116.94 121.65 1ptu h PHE 7 Ca 0.26 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.27 1ptu h PHE 7 Cb 0.30 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 1ptu h PHE 7 CO -0.17 0.38 0.45 1.49 -2.02 0.00 0.00 178.31 178.44 1ptu h GLU 8 N 0.66 0.84 -0.11 1.11 4.57 -0.12 -0.39 114.58 121.15 1ptu h GLU 8 Ca 0.18 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1ptu h GLU 8 Cb -0.06 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1ptu h GLU 8 CO -0.05 0.56 -0.04 0.37 -1.18 0.00 0.00 179.01 178.67 1ptu h GLN 9 N 0.86 0.22 -0.46 1.92 -0.00 0.79 -1.39 115.11 117.04 1ptu h GLN 9 Ca 0.30 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 58.80 1ptu h GLN 9 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1ptu h GLN 9 CO -0.13 0.54 0.04 0.82 0.00 0.00 0.00 178.83 180.10 1ptu h ILE 10 N -0.12 1.25 -0.19 2.39 2.04 -0.17 -1.26 117.51 121.46 1ptu h ILE 10 Ca 0.03 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1ptu h ILE 10 Cb 0.47 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1ptu h ILE 10 CO 0.01 0.34 -0.12 -0.78 0.00 0.00 0.00 178.15 177.60 1ptu h ASP 11 N 0.64 -0.39 -0.73 1.72 3.58 -1.04 1.21 116.42 121.42 1ptu h ASP 11 Ca 0.14 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.70 1ptu h ASP 11 Cb 0.44 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 1ptu h ASP 11 CO 0.02 -0.16 0.46 0.07 -2.88 0.00 0.00 179.24 176.75 1ptu h LYS 12 N -0.11 0.88 0.00 0.28 5.09 -0.98 -1.91 116.57 119.82 1ptu h LYS 12 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.80 1ptu h LYS 12 Cb 0.28 -0.20 0.00 0.00 0.10 0.00 0.00 32.23 32.41 1ptu h LYS 12 CO -0.26 0.58 0.00 0.66 -2.09 0.00 0.00 179.45 178.35 1ptu h SER 13 N 0.91 0.00 -3.48 7.07 4.64 -0.66 -3.47 113.55 118.56 1ptu h SER 13 Ca 0.29 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 1ptu h SER 13 Cb -0.00 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.15 1ptu h SER 13 CO -0.10 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 176.08 1ptu n GLY 14 N 1.11 0.03 1.98 -0.77 0.00 0.41 -4.94 105.19 103.02 1ptu n GLY 14 Ca 0.04 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1ptu n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ptu n SER 15 N -1.02 3.64 0.14 1.61 7.64 -0.55 -4.58 113.62 120.51 1ptu n SER 15 Ca -0.02 -3.28 -0.14 0.00 1.01 0.00 0.00 58.87 56.44 1ptu n SER 15 Cb 0.55 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 1ptu n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1ptu h TRP 16 N 0.88 -0.33 -0.78 1.43 4.06 -1.92 0.35 115.95 119.64 1ptu h TRP 16 Ca 0.50 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.46 1ptu h TRP 16 Cb 2.49 0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 30.71 1ptu h TRP 16 CO 1.28 -0.03 0.51 0.00 -3.56 0.00 0.00 178.44 176.64 1ptu h ALA 17 N 0.03 1.01 0.81 1.49 0.00 -1.90 -0.31 119.26 120.39 1ptu h ALA 17 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1ptu h ALA 17 Cb 0.44 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ptu h ALA 17 CO 0.06 0.35 -0.39 0.00 0.00 0.00 0.00 179.25 179.27 1ptu h ALA 18 N 1.31 -1.09 -0.97 0.00 0.00 -1.85 -1.24 119.26 115.42 1ptu h ALA 18 Ca 0.30 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.18 1ptu h ALA 18 Cb -0.04 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1ptu h ALA 18 CO -0.09 -1.03 0.62 0.82 0.00 0.00 0.00 179.25 179.57 1ptu h ILE 19 N -1.25 0.65 -0.04 0.00 1.08 -0.74 0.23 117.51 117.44 1ptu h ILE 19 Ca -0.11 -0.18 -0.15 0.00 -0.39 0.00 0.00 64.86 64.03 1ptu h ILE 19 Cb 0.85 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1ptu h ILE 19 CO 0.18 0.09 -0.66 0.22 -0.69 0.00 0.00 178.15 177.30 1ptu h TYR 20 N 0.51 0.25 -0.03 1.37 3.20 -0.90 -2.71 116.97 118.66 1ptu h TYR 20 Ca 0.53 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 62.15 1ptu h TYR 20 Cb 1.17 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1ptu h TYR 20 CO -0.00 0.79 -0.65 0.37 -1.64 0.00 0.00 178.16 177.03 1ptu h GLN 21 N 0.13 0.14 -0.77 1.82 5.75 0.27 0.11 115.11 122.55 1ptu h GLN 21 Ca -0.01 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 1ptu h GLN 21 Cb 1.18 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 1ptu h GLN 21 CO 0.10 0.73 0.40 -0.44 -2.65 0.00 0.00 178.83 176.98 1ptu h ASP 22 N 0.10 0.97 -0.17 -0.69 3.32 -1.22 0.51 116.42 119.24 1ptu h ASP 22 Ca -0.01 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1ptu h ASP 22 Cb 1.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1ptu h ASP 22 CO 0.09 0.80 -0.02 0.40 -1.72 0.00 0.00 179.24 178.79 1ptu h ILE 23 N 1.09 1.27 -0.57 0.35 2.04 -1.13 -0.86 117.51 119.70 1ptu h ILE 23 Ca 0.27 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1ptu h ILE 23 Cb 0.06 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1ptu h ILE 23 CO -0.04 0.28 0.35 0.03 0.00 0.00 0.00 178.15 178.76 1ptu h ARG 24 N 0.03 0.78 -0.03 2.37 3.08 -0.17 0.02 114.38 120.46 1ptu h ARG 24 Ca 0.04 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1ptu h ARG 24 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1ptu h ARG 24 CO 0.01 0.56 -0.43 0.45 -1.07 0.00 0.00 179.97 179.49 1ptu h HIS 25 N 0.77 0.08 0.00 3.04 3.86 0.05 -3.01 115.15 119.94 1ptu h HIS 25 Ca 0.21 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1ptu h HIS 25 Cb -0.02 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1ptu h HIS 25 CO -0.02 0.49 -0.41 1.49 0.86 0.00 0.00 177.93 180.34 1ptu h GLU 26 N 0.06 0.00 -7.05 2.45 4.81 -0.67 -3.48 114.58 110.70 1ptu h GLU 26 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1ptu h GLU 26 Cb 0.79 0.00 0.16 0.00 0.63 0.00 0.00 28.75 30.33 1ptu h GLU 26 CO 0.06 0.00 0.44 0.00 -0.73 0.00 0.00 179.01 178.78 1ptu n ALA 27 N -2.13 0.99 -0.74 2.92 0.00 -0.05 -5.00 120.51 116.51 1ptu n ALA 27 Ca 0.02 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1ptu n ALA 27 Cb 0.54 -2.29 0.24 0.00 0.00 0.00 0.00 19.45 17.94 1ptu n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ptu s SER 28 N -1.32 0.95 -0.25 0.00 0.01 -1.26 -5.06 113.70 106.77 1ptu s SER 28 Ca 0.81 1.17 -0.07 0.00 1.31 0.00 0.00 55.95 59.17 1ptu s SER 28 Cb -0.39 -1.80 0.12 0.00 0.21 0.00 0.00 66.02 64.16 1ptu s SER 28 CO 0.42 -4.17 0.52 -0.62 0.41 0.00 0.00 173.24 169.80 1ptu s ASP 29 N -3.05 -0.64 0.22 2.44 2.15 -1.26 -4.97 116.67 111.56 1ptu s ASP 29 Ca 0.68 1.14 0.03 0.00 0.43 0.00 0.00 52.55 54.83 1ptu s ASP 29 Cb -0.19 1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 44.13 1ptu s ASP 29 CO 0.61 -0.23 0.01 -0.36 -0.17 0.00 0.00 175.17 175.02 1ptu s PHE 30 N 2.74 1.47 0.82 -5.34 0.08 -1.26 -5.13 117.98 111.35 1ptu s PHE 30 Ca -0.00 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 55.93 1ptu s PHE 30 Cb -0.13 -0.85 0.09 0.00 -0.57 0.00 0.00 43.02 41.56 1ptu s PHE 30 CO -0.16 -0.12 1.18 -2.30 -0.10 0.00 0.00 175.22 173.72 1ptu n PRO 31 N -0.38 0.12 -2.74 0.24 -0.02 -1.26 -4.88 135.00 126.09 1ptu n PRO 31 Ca -0.05 0.12 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 1ptu n PRO 31 Cb 0.64 -2.42 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1ptu n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ptu h ARG 33 N 2.63 0.30 -0.76 0.00 -0.00 -1.92 -2.92 114.38 111.71 1ptu h ARG 33 Ca -0.15 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.29 1ptu h ARG 33 Cb 1.23 -0.06 -0.04 0.00 0.00 0.00 0.00 29.97 31.10 1ptu h ARG 33 CO 0.28 0.22 0.41 0.28 0.00 0.00 0.00 179.97 181.16 1ptu h VAL 34 N 0.28 1.22 -0.20 2.04 2.07 -1.93 -2.74 116.25 117.00 1ptu h VAL 34 Ca 0.08 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ptu h VAL 34 Cb -0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1ptu h VAL 34 CO -0.02 0.25 0.12 0.00 0.02 0.00 0.00 177.57 177.94 1ptu h ALA 35 N 1.40 1.83 -0.02 1.67 0.00 -1.81 -2.48 119.26 119.85 1ptu h ALA 35 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ptu h ALA 35 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ptu h ALA 35 CO -0.04 0.15 -0.05 1.63 0.00 0.00 0.00 179.25 180.94 1ptu n LYS 36 N -4.49 1.82 -1.65 0.00 4.76 -1.05 -4.60 118.16 112.95 1ptu n LYS 36 Ca 0.00 -1.28 -0.45 0.00 -2.87 0.00 0.00 58.31 53.71 1ptu n LYS 36 Cb 0.09 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1ptu n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ptu n LEU 37 N 0.53 2.80 -0.03 -0.35 4.32 -0.94 -4.81 117.00 118.53 1ptu n LEU 37 Ca 0.16 1.16 0.22 0.00 -0.02 0.00 0.00 56.01 57.53 1ptu n LEU 37 Cb 0.45 -1.39 0.71 0.00 -1.62 0.00 0.00 43.42 41.57 1ptu n LEU 37 CO 0.17 -0.71 1.20 -0.65 -1.22 0.00 0.00 177.39 176.18 1ptu h PRO 38 N 3.53 0.00 -0.09 3.23 0.11 -1.91 -0.67 132.00 136.19 1ptu h PRO 38 Ca -0.44 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 1ptu h PRO 38 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1ptu h PRO 38 CO 0.71 0.00 -0.66 1.57 -0.21 0.00 0.00 178.00 179.40 1ptu h LYS 39 N 0.00 0.37 -0.06 1.05 2.10 -1.95 -3.11 116.57 114.98 1ptu h LYS 39 Ca 0.28 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ptu h LYS 39 Cb 1.18 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1ptu h LYS 39 CO -0.00 0.91 0.00 0.09 -2.00 0.00 0.00 179.45 178.44 1ptu n ASN 40 N -3.86 0.53 -0.13 7.07 3.02 -0.27 -4.25 115.26 117.36 1ptu n ASN 40 Ca -0.03 -1.62 -0.04 0.00 -0.03 0.00 0.00 54.58 52.86 1ptu n ASN 40 Cb 0.66 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.83 1ptu n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ptu h LYS 41 N 0.67 0.09 0.00 3.52 3.64 -1.46 0.13 116.57 123.16 1ptu h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ptu h LYS 41 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ptu h LYS 41 CO 0.00 0.06 0.00 0.27 -2.27 0.00 0.00 179.45 177.51 1ptu n ASN 42 N -5.22 0.00 -1.39 4.20 6.94 -1.26 -2.59 115.26 115.94 1ptu n ASN 42 Ca 0.03 -0.73 0.09 0.00 -0.02 0.00 0.00 54.58 53.95 1ptu n ASN 42 Cb 0.23 -0.03 0.31 0.00 -2.36 0.00 0.00 39.78 37.93 1ptu n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ptu n ARG 43 N -1.03 3.14 -4.11 -3.83 1.74 0.03 -4.90 116.66 107.70 1ptu n ARG 43 Ca 0.19 -2.52 -0.25 0.00 -0.77 0.00 0.00 57.85 54.50 1ptu n ARG 43 Cb 0.10 -1.72 -0.17 0.00 -1.02 0.00 0.00 32.46 29.65 1ptu n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1ptu s ASN 44 N -0.91 1.83 0.12 0.55 0.01 -1.07 -4.35 114.94 111.13 1ptu s ASN 44 Ca 0.46 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 52.20 1ptu s ASN 44 Cb 0.27 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 1ptu s ASN 44 CO 0.25 -0.08 1.54 -0.09 -1.51 0.00 0.00 177.10 177.21 1ptu h ARG 45 N 7.72 0.68 -5.88 -0.60 2.43 -1.90 -3.44 114.38 113.40 1ptu h ARG 45 Ca -0.30 -0.24 -0.68 0.00 -0.81 0.00 0.00 59.98 57.94 1ptu h ARG 45 Cb 1.15 -0.05 -0.30 0.00 -0.42 0.00 0.00 29.97 30.35 1ptu h ARG 45 CO 0.42 0.81 -0.85 0.71 -1.51 0.00 0.00 179.97 179.55 1ptu s TYR 46 N -4.88 2.54 0.32 2.20 2.02 -1.26 -5.02 117.35 113.27 1ptu s TYR 46 Ca -0.13 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 1ptu s TYR 46 Cb 0.09 -1.65 0.56 0.00 -0.40 0.00 0.00 41.96 40.56 1ptu s TYR 46 CO 0.79 -0.19 1.97 -0.09 -1.57 0.00 0.00 175.55 176.46 1ptu h ARG 47 N 6.14 0.95 -0.42 -0.62 2.43 -1.98 -2.61 114.38 118.26 1ptu h ARG 47 Ca -0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1ptu h ARG 47 Cb 1.19 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ptu h ARG 47 CO 0.49 0.63 0.00 -0.40 -1.51 0.00 0.00 179.97 179.17 1ptu n ASP 48 N -4.44 3.01 -3.85 -3.80 5.75 -1.26 -4.83 116.55 107.12 1ptu n ASP 48 Ca 0.10 -1.94 -0.29 0.00 -0.01 0.00 0.00 54.79 52.64 1ptu n ASP 48 Cb 0.10 -0.28 -0.16 0.00 -1.03 0.00 0.00 41.12 39.76 1ptu n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ptu s VAL 49 N -1.45 1.16 0.11 2.12 1.01 -0.99 -5.12 120.40 117.25 1ptu s VAL 49 Ca 0.38 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1ptu s VAL 49 Cb 0.21 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1ptu s VAL 49 CO 0.29 -0.22 -0.08 -0.44 0.00 0.00 0.00 175.10 174.64 1ptu s SER 50 N 1.55 1.37 0.28 3.32 0.01 -1.26 -4.64 113.70 114.33 1ptu s SER 50 Ca -0.02 -0.93 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 1ptu s SER 50 Cb -0.18 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.01 1ptu s SER 50 CO -0.09 -0.36 0.72 -2.16 0.41 0.00 0.00 173.24 171.75 1ptu s PRO 51 N -3.40 4.06 0.41 12.44 0.04 -1.26 -4.60 135.00 142.68 1ptu s PRO 51 Ca 0.10 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 1ptu s PRO 51 Cb 0.02 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 1ptu s PRO 51 CO -0.02 0.24 1.14 -0.06 0.04 0.00 0.00 177.00 178.34 1ptu s PHE 52 N -1.83 3.09 0.19 0.56 0.08 -1.26 -4.46 117.98 114.35 1ptu s PHE 52 Ca 0.50 1.58 -0.09 0.00 0.12 0.00 0.00 56.93 59.04 1ptu s PHE 52 Cb -0.12 -3.32 0.11 0.00 -0.57 0.00 0.00 43.02 39.11 1ptu s PHE 52 CO 0.19 -1.17 1.71 -0.44 -0.10 0.00 0.00 175.22 175.41 1ptu h ASP 53 N 2.52 1.05 -0.02 1.36 3.32 -1.52 0.11 116.42 123.24 1ptu h ASP 53 Ca -0.49 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.33 1ptu h ASP 53 Cb 1.23 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1ptu h ASP 53 CO 0.62 1.01 0.01 1.12 -1.72 0.00 0.00 179.24 180.29 1ptu h HIS 54 N 1.04 0.00 -0.01 4.55 2.07 -1.92 -2.71 115.15 118.17 1ptu h HIS 54 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1ptu h HIS 54 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 1ptu h HIS 54 CO 0.03 0.00 -0.01 -1.13 -3.07 0.00 0.00 177.93 173.75 1ptu n SER 55 N -4.33 1.59 -4.74 3.10 3.41 -1.10 -5.04 113.62 106.51 1ptu n SER 55 Ca -0.03 -1.30 -0.36 0.00 -0.26 0.00 0.00 58.87 56.93 1ptu n SER 55 Cb 0.11 0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1ptu n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ptu s ARG 56 N -0.66 2.64 -0.06 4.33 1.70 0.01 -0.75 118.95 126.16 1ptu s ARG 56 Ca 0.09 1.83 -0.19 0.00 -0.47 0.00 0.00 55.73 56.99 1ptu s ARG 56 Cb 0.06 -1.89 -0.05 0.00 -0.57 0.00 0.00 34.95 32.51 1ptu s ARG 56 CO 0.10 -1.46 0.54 0.42 -1.08 0.00 0.00 175.30 173.81 1ptu s ILE 57 N -1.70 5.06 -0.19 4.99 -1.09 -0.74 -4.75 121.20 122.78 1ptu s ILE 57 Ca 0.77 1.10 -0.07 0.00 -2.23 0.00 0.00 60.65 60.22 1ptu s ILE 57 Cb -0.31 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1ptu s ILE 57 CO 0.38 0.37 0.06 -0.54 -1.23 0.00 0.00 174.94 173.98 1ptu s LYS 58 N 0.23 3.92 0.19 2.79 1.02 -1.26 -4.36 119.74 122.26 1ptu s LYS 58 Ca 0.29 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 1ptu s LYS 58 Cb -0.17 -3.22 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1ptu s LYS 58 CO 0.14 0.21 1.23 -0.51 -0.92 0.00 0.00 175.35 175.49 1ptu s LEU 59 N 0.53 4.44 0.00 3.17 1.43 -0.52 -4.85 118.68 122.88 1ptu s LEU 59 Ca 0.03 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1ptu s LEU 59 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ptu s LEU 59 CO 0.01 -0.41 1.23 1.41 0.23 0.00 0.00 176.35 178.81 1ptu n HIS 60 N 2.56 0.00 -3.16 0.29 8.25 -1.26 -4.62 115.22 117.28 1ptu n HIS 60 Ca 0.05 -0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 56.54 1ptu n HIS 60 Cb 0.44 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1ptu n HIS 60 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ptu s GLN 61 N 0.49 4.17 -0.07 -0.41 0.74 -1.26 -4.99 119.66 118.33 1ptu s GLN 61 Ca 0.00 0.77 -0.25 0.00 0.05 0.00 0.00 55.36 55.93 1ptu s GLN 61 Cb 0.00 -2.85 -0.26 0.00 1.10 0.00 0.00 33.01 31.00 1ptu s GLN 61 CO 0.00 0.39 0.93 1.49 -0.55 0.00 0.00 175.29 177.55 1ptu h GLU 62 N 3.35 0.17 0.00 1.67 4.22 -2.03 -3.42 114.58 118.54 1ptu h GLU 62 Ca -0.48 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 58.73 1ptu h GLU 62 Cb 1.19 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ptu h GLU 62 CO 0.65 1.03 0.00 -3.47 -2.18 0.00 0.00 179.01 175.05 1ptu n ASP 63 N -4.42 0.00 -4.14 1.04 2.03 -1.26 -4.75 116.55 105.05 1ptu n ASP 63 Ca -0.11 0.46 -0.23 0.00 0.52 0.00 0.00 54.79 55.43 1ptu n ASP 63 Cb 0.59 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.84 1ptu n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ptu s ASN 64 N -2.68 1.82 -0.11 1.67 3.84 -1.26 -5.05 114.94 113.18 1ptu s ASN 64 Ca 0.00 -0.32 0.14 0.00 0.21 0.00 0.00 52.86 52.89 1ptu s ASN 64 Cb 0.00 -0.19 0.44 0.00 -0.55 0.00 0.00 41.25 40.95 1ptu s ASN 64 CO 0.00 0.16 1.35 -0.90 -2.79 0.00 0.00 177.10 174.92 1ptu n ASP 65 N 2.51 3.48 -4.80 -4.21 5.68 -1.26 -4.54 116.55 113.41 1ptu n ASP 65 Ca -0.15 -2.63 -0.38 0.00 -0.50 0.00 0.00 54.79 51.12 1ptu n ASP 65 Cb 0.55 -0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 1ptu n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ptu s TYR 66 N -2.14 3.79 -0.29 2.11 5.04 -1.26 -1.44 117.35 123.16 1ptu s TYR 66 Ca 0.34 1.39 -0.13 0.00 -2.44 0.00 0.00 57.07 56.24 1ptu s TYR 66 Cb 0.25 -2.60 0.10 0.00 0.35 0.00 0.00 41.96 40.07 1ptu s TYR 66 CO 0.11 0.50 0.67 -1.50 -1.34 0.00 0.00 175.55 173.99 1ptu s ILE 67 N -1.23 -0.50 -1.02 3.14 2.07 -1.26 -4.89 121.20 117.51 1ptu s ILE 67 Ca 0.35 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.35 1ptu s ILE 67 Cb -0.20 -0.99 -0.09 0.00 0.13 0.00 0.00 42.46 41.31 1ptu s ILE 67 CO 0.22 0.00 2.00 0.21 -1.91 0.00 0.00 174.94 175.46 1ptu s ASN 68 N 2.27 4.82 -0.06 4.50 3.84 -1.26 -4.60 114.94 124.45 1ptu s ASN 68 Ca -0.08 -1.03 -0.21 0.00 0.21 0.00 0.00 52.86 51.76 1ptu s ASN 68 Cb -0.09 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1ptu s ASN 68 CO -0.19 -3.17 0.47 0.00 -2.79 0.00 0.00 177.10 171.41 1ptu s ALA 69 N 11.55 -1.20 -0.02 1.71 0.00 -1.26 -3.10 121.76 129.44 1ptu s ALA 69 Ca 0.73 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.61 1ptu s ALA 69 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1ptu s ALA 69 CO 0.07 -0.29 -0.16 -1.12 0.00 0.00 0.00 175.76 174.27 1ptu s SER 70 N -0.94 1.90 -0.50 0.00 0.01 0.11 -1.79 113.70 112.49 1ptu s SER 70 Ca -0.10 -0.30 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 1ptu s SER 70 Cb -0.03 -0.32 0.06 0.00 0.21 0.00 0.00 66.02 65.93 1ptu s SER 70 CO 0.05 0.18 0.64 -0.22 0.41 0.00 0.00 173.24 174.30 1ptu s LEU 71 N -0.22 4.90 -0.81 2.44 2.96 0.07 -1.40 118.68 126.61 1ptu s LEU 71 Ca 0.03 -0.86 -0.23 0.00 -0.22 0.00 0.00 54.13 52.85 1ptu s LEU 71 Cb -0.08 -2.48 0.07 0.00 0.50 0.00 0.00 46.19 44.20 1ptu s LEU 71 CO 0.00 -0.90 1.17 -0.63 -1.32 0.00 0.00 176.35 174.67 1ptu s ILE 72 N 2.70 4.18 -0.17 6.68 1.09 0.62 -4.88 121.20 131.43 1ptu s ILE 72 Ca 0.16 -0.51 -0.15 0.00 -1.10 0.00 0.00 60.65 59.05 1ptu s ILE 72 Cb -0.19 -4.84 -0.04 0.00 -1.06 0.00 0.00 42.46 36.34 1ptu s ILE 72 CO 0.13 -1.66 0.35 -0.75 -0.10 0.00 0.00 174.94 172.91 1ptu s LYS 73 N 4.36 4.23 -0.40 2.79 2.20 -1.26 -1.21 119.74 130.44 1ptu s LYS 73 Ca 0.32 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1ptu s LYS 73 Cb -0.09 -3.48 0.11 0.00 -1.51 0.00 0.00 37.83 32.87 1ptu s LYS 73 CO 0.03 0.11 0.17 -1.64 -0.36 0.00 0.00 175.35 173.67 1ptu s MET 74 N 0.84 1.88 0.00 4.03 -1.94 0.19 -4.96 119.30 119.34 1ptu s MET 74 Ca 0.18 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 1ptu s MET 74 Cb -0.14 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1ptu s MET 74 CO 0.06 -1.04 0.88 -1.91 -0.01 0.00 0.00 175.02 173.00 1ptu n GLU 75 N 4.43 0.00 0.22 2.03 2.13 -1.26 0.26 120.64 128.45 1ptu n GLU 75 Ca 0.00 0.69 -0.15 0.00 0.66 0.00 0.00 57.16 58.36 1ptu n GLU 75 Cb 0.41 -1.38 -0.08 0.00 0.27 0.00 0.00 31.44 30.67 1ptu n GLU 75 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ptu h GLU 76 N 0.00 -0.57 -0.51 5.31 4.81 -1.96 -2.39 114.58 119.27 1ptu h GLU 76 Ca 0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1ptu h GLU 76 Cb 0.00 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ptu h GLU 76 CO 0.00 -0.38 0.51 0.00 -0.73 0.00 0.00 179.01 178.41 1ptu h ALA 77 N -0.00 2.28 -0.59 2.92 0.00 -1.89 -3.45 119.26 118.53 1ptu h ALA 77 Ca -0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1ptu h ALA 77 Cb 0.50 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1ptu h ALA 77 CO 0.02 -0.78 -0.21 1.04 0.00 0.00 0.00 179.25 179.32 1ptu n GLN 78 N -3.79 -0.78 -4.53 0.00 1.13 0.14 -4.81 117.38 104.75 1ptu n GLN 78 Ca 0.10 0.87 -0.23 0.00 -1.94 0.00 0.00 57.00 55.80 1ptu n GLN 78 Cb 0.71 -4.85 -0.14 0.00 0.11 0.00 0.00 30.24 26.08 1ptu n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1ptu s ARG 79 N -3.03 1.19 -0.02 -1.09 3.52 -1.00 -4.97 118.95 113.54 1ptu s ARG 79 Ca 0.00 -0.84 0.06 0.00 -0.13 0.00 0.00 55.73 54.82 1ptu s ARG 79 Cb 0.00 -1.25 -0.01 0.00 -1.56 0.00 0.00 34.95 32.12 1ptu s ARG 79 CO 0.00 0.32 -0.21 -1.12 -0.81 0.00 0.00 175.30 173.48 1ptu s SER 80 N -1.11 2.49 0.08 -2.12 0.01 -1.26 0.55 113.70 112.34 1ptu s SER 80 Ca 0.05 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.96 1ptu s SER 80 Cb -0.08 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1ptu s SER 80 CO 0.01 0.24 -0.13 -0.31 0.41 0.00 0.00 173.24 173.47 1ptu s TYR 81 N -0.38 1.16 -0.38 2.43 1.51 -0.35 -4.01 117.35 117.34 1ptu s TYR 81 Ca 0.05 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1ptu s TYR 81 Cb -0.09 -0.65 0.08 0.00 -0.11 0.00 0.00 41.96 41.19 1ptu s TYR 81 CO 0.00 0.05 0.16 0.42 -1.11 0.00 0.00 175.55 175.06 1ptu s ILE 82 N -1.56 3.56 0.02 2.71 1.01 0.20 -0.27 121.20 126.87 1ptu s ILE 82 Ca -0.00 -1.57 -0.15 0.00 0.00 0.00 0.00 60.65 58.92 1ptu s ILE 82 Cb -0.08 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1ptu s ILE 82 CO 0.02 -0.42 0.44 -0.76 0.00 0.00 0.00 174.94 174.21 1ptu s LEU 83 N 1.29 4.48 0.22 2.97 1.43 -0.50 0.09 118.68 128.67 1ptu s LEU 83 Ca 0.02 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1ptu s LEU 83 Cb -0.22 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 1ptu s LEU 83 CO -0.01 0.31 0.43 0.28 0.23 0.00 0.00 176.35 177.59 1ptu s THR 84 N -1.11 0.01 0.85 5.49 -1.32 -0.85 0.07 115.64 118.78 1ptu s THR 84 Ca 0.25 -1.36 -0.12 0.00 -1.21 0.00 0.00 61.69 59.25 1ptu s THR 84 Cb -0.17 -2.08 0.12 0.00 -1.51 0.00 0.00 72.50 68.86 1ptu s THR 84 CO 0.15 -0.07 1.21 0.00 -2.21 0.00 0.00 174.62 173.70 1ptu s GLN 85 N -4.00 1.48 -0.24 7.08 -2.07 -1.18 -2.97 119.66 117.77 1ptu s GLN 85 Ca 0.21 -0.17 -0.29 0.00 -1.82 0.00 0.00 55.36 53.29 1ptu s GLN 85 Cb 0.00 -1.95 -0.02 0.00 -1.09 0.00 0.00 33.01 29.96 1ptu s GLN 85 CO 0.06 -1.86 1.50 0.20 -1.32 0.00 0.00 175.29 173.87 1ptu s GLY 86 N -4.70 1.31 0.43 2.60 0.00 0.17 -4.79 107.32 102.34 1ptu s GLY 86 Ca 0.66 0.37 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 1ptu s GLY 86 CO 0.50 2.84 0.50 -1.55 0.00 0.00 0.00 173.10 175.39 1ptu n PRO 87 N 7.46 0.51 -2.85 2.90 -0.04 -1.26 -4.59 135.00 137.14 1ptu n PRO 87 Ca 0.17 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.58 1ptu n PRO 87 Cb 0.46 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1ptu n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ptu s LEU 88 N 1.96 3.57 0.30 1.53 1.43 -1.26 -0.97 118.68 125.24 1ptu s LEU 88 Ca 0.63 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1ptu s LEU 88 Cb -0.60 -3.31 0.76 0.00 0.03 0.00 0.00 46.19 43.07 1ptu s LEU 88 CO 0.58 -0.75 1.73 -0.65 0.23 0.00 0.00 176.35 177.49 1ptu h PRO 89 N 0.28 0.53 -0.00 1.29 0.11 -1.97 0.18 132.00 132.41 1ptu h PRO 89 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ptu h PRO 89 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ptu h PRO 89 CO 0.59 0.35 -0.02 0.27 -0.21 0.00 0.00 178.00 178.98 1ptu n ASN 90 N -4.93 0.34 -0.01 -2.05 6.94 -1.26 -4.17 115.26 110.13 1ptu n ASN 90 Ca 0.23 -0.91 0.01 0.00 -0.02 0.00 0.00 54.58 53.89 1ptu n ASN 90 Cb 0.65 -0.05 0.01 0.00 -2.36 0.00 0.00 39.78 38.03 1ptu n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1ptu n THR 91 N -0.82 0.88 0.16 5.53 -2.24 0.60 -4.66 114.28 113.72 1ptu n THR 91 Ca 0.20 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1ptu n THR 91 Cb 0.20 0.54 0.25 0.00 -2.10 0.00 0.00 70.33 69.21 1ptu n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ptu h GLY 93 N 1.54 0.06 0.92 0.00 0.00 -1.87 -1.56 103.07 102.16 1ptu h GLY 93 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1ptu h GLY 93 CO 0.07 0.04 0.11 0.45 0.00 0.00 0.00 176.54 177.20 1ptu h HIS 94 N -0.20 0.21 -0.34 5.60 3.86 -1.74 0.17 115.15 122.70 1ptu h HIS 94 Ca 0.01 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1ptu h HIS 94 Cb 0.27 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 1ptu h HIS 94 CO 0.02 0.12 -0.02 0.35 0.86 0.00 0.00 177.93 179.25 1ptu h PHE 95 N 0.23 -0.06 -0.21 2.45 3.04 -0.78 0.23 116.94 121.84 1ptu h PHE 95 Ca 0.08 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.96 1ptu h PHE 95 Cb 0.01 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1ptu h PHE 95 CO -0.09 -0.08 -0.30 -1.49 -2.02 0.00 0.00 178.31 174.33 1ptu h TRP 96 N 0.07 0.48 -0.25 0.41 4.06 -0.88 -1.61 115.95 118.22 1ptu h TRP 96 Ca 0.16 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1ptu h TRP 96 Cb 0.23 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1ptu h TRP 96 CO -0.26 0.68 0.16 1.49 -3.56 0.00 0.00 178.44 176.95 1ptu h GLU 97 N 0.37 0.33 -0.68 0.49 4.81 -0.16 0.02 114.58 119.75 1ptu h GLU 97 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1ptu h GLU 97 Cb 0.72 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1ptu h GLU 97 CO 0.05 0.23 0.45 1.98 -0.73 0.00 0.00 179.01 180.99 1ptu h MET 98 N 0.33 0.89 -0.99 1.92 4.05 -0.29 0.41 114.93 121.26 1ptu h MET 98 Ca 0.09 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1ptu h MET 98 Cb -0.03 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 30.52 1ptu h MET 98 CO -0.02 0.59 0.66 0.28 0.23 0.00 0.00 176.91 178.65 1ptu h VAL 99 N 0.92 1.25 0.19 -5.77 2.07 -0.51 0.10 116.25 114.50 1ptu h VAL 99 Ca 0.25 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1ptu h VAL 99 Cb -0.10 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.47 1ptu h VAL 99 CO -0.06 0.24 -0.09 -0.25 0.02 0.00 0.00 177.57 177.43 1ptu h TRP 100 N 1.34 -0.24 -0.35 1.57 2.91 -0.24 -1.83 115.95 119.12 1ptu h TRP 100 Ca 0.36 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.32 1ptu h TRP 100 Cb -0.15 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 1ptu h TRP 100 CO -0.00 0.11 -0.03 0.93 -1.03 0.00 0.00 178.44 178.42 1ptu h GLU 101 N -0.63 0.55 -0.00 2.65 5.08 -0.82 -1.42 114.58 119.98 1ptu h GLU 101 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ptu h GLU 101 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ptu h GLU 101 CO 0.04 0.60 -0.10 1.04 -1.00 0.00 0.00 179.01 179.60 1ptu n GLN 102 N -4.25 0.30 -3.43 2.33 1.13 0.01 -4.95 117.38 108.52 1ptu n GLN 102 Ca 0.01 -0.06 -0.24 0.00 -1.94 0.00 0.00 57.00 54.77 1ptu n GLN 102 Cb 0.27 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.18 1ptu n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ptu n LYS 103 N -1.30 -6.58 -2.19 -1.09 5.02 -0.54 -3.95 118.16 107.54 1ptu n LYS 103 Ca 0.11 0.82 -0.33 0.00 -2.02 0.00 0.00 58.31 56.89 1ptu n LYS 103 Cb 0.30 -5.79 0.00 0.00 -0.02 0.00 0.00 35.03 29.52 1ptu n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ptu s SER 104 N -3.09 5.85 -0.04 4.39 0.01 -0.97 0.88 113.70 120.73 1ptu s SER 104 Ca 0.50 1.93 0.06 0.00 1.31 0.00 0.00 55.95 59.75 1ptu s SER 104 Cb -0.22 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 1ptu s SER 104 CO 0.61 -1.12 0.08 -1.14 0.41 0.00 0.00 173.24 172.08 1ptu n ARG 105 N -1.65 1.71 -4.31 12.44 0.00 -1.26 -4.86 116.66 118.73 1ptu n ARG 105 Ca 0.10 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.85 57.70 1ptu n ARG 105 Cb 0.52 -1.17 -0.11 0.00 0.00 0.00 0.00 32.46 31.70 1ptu n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ptu s GLY 106 N -3.36 1.33 -0.05 5.14 0.00 -1.26 -1.12 107.32 107.99 1ptu s GLY 106 Ca -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1ptu s GLY 106 CO 0.28 -1.49 -0.06 0.14 0.00 0.00 0.00 173.10 171.97 1ptu s VAL 107 N -2.01 0.66 -0.35 1.40 1.01 -0.22 -2.70 120.40 118.19 1ptu s VAL 107 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1ptu s VAL 107 Cb -0.06 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.71 1ptu s VAL 107 CO 0.06 0.26 0.10 -0.69 0.00 0.00 0.00 175.10 174.83 1ptu s VAL 108 N 1.00 3.36 -0.40 2.92 1.01 -0.18 0.34 120.40 128.45 1ptu s VAL 108 Ca -0.10 -1.49 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1ptu s VAL 108 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1ptu s VAL 108 CO -0.00 -0.30 0.33 -0.32 0.00 0.00 0.00 175.10 174.80 1ptu s MET 109 N 1.28 3.13 -0.02 2.72 0.00 -0.04 -1.02 119.30 125.33 1ptu s MET 109 Ca -0.00 -0.85 0.19 0.00 0.00 0.00 0.00 55.69 55.03 1ptu s MET 109 Cb -0.21 -3.94 0.60 0.00 0.00 0.00 0.00 34.83 31.29 1ptu s MET 109 CO -0.01 -0.71 1.50 1.28 0.00 0.00 0.00 175.02 177.09 1ptu n LEU 110 N 5.27 3.74 -4.34 4.11 4.77 0.01 -0.79 117.00 129.77 1ptu n LEU 110 Ca -0.10 -1.87 -0.18 0.00 -0.03 0.00 0.00 56.01 53.83 1ptu n LEU 110 Cb 0.48 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1ptu n LEU 110 CO 0.41 0.85 -0.25 0.54 -1.33 0.00 0.00 177.39 177.62 1ptu s ASN 111 N -0.96 1.41 0.01 -1.43 2.20 -1.25 -4.64 114.94 110.28 1ptu s ASN 111 Ca 0.45 -1.42 0.02 0.00 -0.94 0.00 0.00 52.86 50.97 1ptu s ASN 111 Cb 0.25 0.18 -0.04 0.00 -2.00 0.00 0.00 41.25 39.64 1ptu s ASN 111 CO 0.28 -0.75 0.01 -0.13 -2.94 0.00 0.00 177.10 173.58 1ptu s ARG 112 N -3.98 2.79 0.24 3.55 0.52 -1.26 -4.80 118.95 116.02 1ptu s ARG 112 Ca 0.37 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1ptu s ARG 112 Cb 0.07 -2.68 0.44 0.00 0.52 0.00 0.00 34.95 33.31 1ptu s ARG 112 CO 0.14 0.62 1.74 0.28 0.02 0.00 0.00 175.30 178.10 1ptu h VAL 113 N 3.39 0.70 -3.19 3.52 2.07 -1.94 -3.39 116.25 117.41 1ptu h VAL 113 Ca -0.49 -0.17 -0.67 0.00 0.82 0.00 0.00 66.70 66.20 1ptu h VAL 113 Cb 1.17 0.17 -0.32 0.00 -1.52 0.00 0.00 31.29 30.79 1ptu h VAL 113 CO 0.58 0.09 -0.81 -0.32 0.02 0.00 0.00 177.57 177.13 1ptu s MET 114 N -6.02 3.12 -0.07 1.57 -2.45 -1.26 0.50 119.30 114.69 1ptu s MET 114 Ca -0.12 -0.76 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 1ptu s MET 114 Cb 0.20 -2.73 0.02 0.00 1.25 0.00 0.00 34.83 33.57 1ptu s MET 114 CO 0.76 -0.21 -0.07 -1.21 1.05 0.00 0.00 175.02 175.34 1ptu s GLU 115 N 1.36 1.26 -1.20 4.11 2.02 0.12 -4.86 118.70 121.50 1ptu s GLU 115 Ca 0.05 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 1ptu s GLU 115 Cb -0.13 -1.23 0.03 0.00 0.10 0.00 0.00 34.13 32.90 1ptu s GLU 115 CO -0.09 -0.12 0.70 1.63 0.02 0.00 0.00 175.26 177.39 1ptu n LYS 116 N 4.33 -0.59 -0.17 1.61 5.02 -1.26 -0.89 118.16 126.22 1ptu n LYS 116 Ca -0.19 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ptu n LYS 116 Cb 0.51 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 1ptu n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ptu n GLY 117 N -1.99 1.27 3.55 0.72 0.00 -1.26 -4.97 105.19 102.51 1ptu n GLY 117 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1ptu n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ptu s SER 118 N -2.88 4.31 0.27 1.61 0.01 -0.07 -5.11 113.70 111.85 1ptu s SER 118 Ca 0.00 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1ptu s SER 118 Cb 0.00 -0.88 -0.09 0.00 0.21 0.00 0.00 66.02 65.25 1ptu s SER 118 CO 0.00 0.26 1.06 -0.76 0.41 0.00 0.00 173.24 174.20 1ptu s LEU 119 N -1.56 4.58 0.00 2.44 1.43 -1.26 0.12 118.68 124.43 1ptu s LEU 119 Ca 0.17 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1ptu s LEU 119 Cb -0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1ptu s LEU 119 CO 0.08 -0.06 0.00 0.29 0.23 0.00 0.00 176.35 176.89 1ptu n LYS 120 N 1.27 3.80 -3.64 1.70 4.76 0.18 -4.90 118.16 121.34 1ptu n LYS 120 Ca -0.01 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 1ptu n LYS 120 Cb 0.45 -0.29 -0.07 0.00 -1.84 0.00 0.00 35.03 33.29 1ptu n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ptu s ALA 122 N 0.02 2.71 -1.19 0.00 0.00 -0.15 -4.60 121.76 118.56 1ptu s ALA 122 Ca 0.05 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 1ptu s ALA 122 Cb -0.05 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1ptu s ALA 122 CO -0.09 -0.88 1.64 -1.14 0.00 0.00 0.00 175.76 175.28 1ptu s GLN 123 N -4.12 3.80 0.00 0.00 2.00 -1.26 -4.73 119.66 115.35 1ptu s GLN 123 Ca 0.64 -1.64 0.24 0.00 -2.00 0.00 0.00 55.36 52.60 1ptu s GLN 123 Cb -0.16 -5.46 0.90 0.00 0.80 0.00 0.00 33.01 29.09 1ptu s GLN 123 CO 0.38 -2.28 1.65 2.48 -0.50 0.00 0.00 175.29 177.02 1ptu n TYR 124 N 8.74 0.11 -4.14 1.67 0.18 -1.26 -4.89 117.16 117.57 1ptu n TYR 124 Ca 0.43 -0.05 -0.09 0.00 1.88 0.00 0.00 57.90 60.07 1ptu n TYR 124 Cb 0.48 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.34 1ptu n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1ptu s TRP 125 N -1.89 0.74 0.24 -3.48 -2.14 -1.26 -5.03 118.94 106.11 1ptu s TRP 125 Ca 0.35 -1.03 -0.24 0.00 2.66 0.00 0.00 56.10 57.84 1ptu s TRP 125 Cb 0.19 -0.47 -0.09 0.00 -3.10 0.00 0.00 33.47 30.01 1ptu s TRP 125 CO 0.30 -0.30 0.83 -1.25 -2.66 0.00 0.00 176.95 173.86 1ptu s PRO 126 N -3.91 4.49 0.05 3.25 0.04 -1.26 -4.98 135.00 132.69 1ptu s PRO 126 Ca 0.12 1.14 0.17 0.00 0.04 0.00 0.00 61.00 62.47 1ptu s PRO 126 Cb 0.07 -2.97 -0.14 0.00 0.04 0.00 0.00 34.50 31.50 1ptu s PRO 126 CO -0.06 0.41 0.79 1.04 0.04 0.00 0.00 177.00 179.22 1ptu n GLN 127 N 0.93 0.62 -4.74 4.56 6.02 -1.26 -4.66 117.38 118.85 1ptu n GLN 127 Ca -0.02 0.20 -0.24 0.00 -0.01 0.00 0.00 57.00 56.93 1ptu n GLN 127 Cb 0.50 -1.79 -0.16 0.00 1.02 0.00 0.00 30.24 29.81 1ptu n GLN 127 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1ptu s LYS 128 N -2.95 1.42 0.59 -1.09 -2.85 -1.26 -5.04 119.74 108.56 1ptu s LYS 128 Ca -0.03 -0.55 0.37 0.00 -1.00 0.00 0.00 55.97 54.76 1ptu s LYS 128 Cb 0.09 -1.31 2.01 0.00 -2.06 0.00 0.00 37.83 36.55 1ptu s LYS 128 CO 0.81 0.28 2.13 1.05 0.10 0.00 0.00 175.35 179.72 1ptu h GLU 129 N 6.01 0.00 -0.00 1.78 9.09 -1.91 -0.27 114.58 129.28 1ptu h GLU 129 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1ptu h GLU 129 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1ptu h GLU 129 CO 0.48 0.00 -0.12 0.39 0.05 0.00 0.00 179.01 179.81 1ptu n GLU 130 N -2.85 0.74 -3.67 1.06 4.71 -1.26 -4.48 120.64 114.89 1ptu n GLU 130 Ca -0.02 -0.28 -0.29 0.00 -0.01 0.00 0.00 57.16 56.56 1ptu n GLU 130 Cb 0.12 -1.49 -0.13 0.00 -1.01 0.00 0.00 31.44 28.93 1ptu n GLU 130 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1ptu s LYS 131 N -2.46 1.24 0.79 3.49 1.02 -0.11 -5.11 119.74 118.60 1ptu s LYS 131 Ca 0.29 -2.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.15 1ptu s LYS 131 Cb 0.20 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1ptu s LYS 131 CO 0.47 -1.19 1.13 -1.21 -0.92 0.00 0.00 175.35 173.63 1ptu s GLU 132 N 0.31 2.19 0.15 1.68 8.01 -1.26 -4.61 118.70 125.16 1ptu s GLU 132 Ca 0.19 0.36 0.10 0.00 0.01 0.00 0.00 54.97 55.64 1ptu s GLU 132 Cb -0.21 -1.95 -0.04 0.00 -4.31 0.00 0.00 34.13 27.62 1ptu s GLU 132 CO -0.02 -1.49 -0.18 -1.64 0.01 0.00 0.00 175.26 171.93 1ptu s MET 133 N -5.37 1.75 -0.08 1.61 -1.94 0.83 -4.95 119.30 111.14 1ptu s MET 133 Ca 0.61 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1ptu s MET 133 Cb -0.12 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.71 1ptu s MET 133 CO 0.52 0.44 -0.06 0.42 -0.01 0.00 0.00 175.02 176.33 1ptu s ILE 134 N -1.41 0.83 -0.58 2.53 1.01 -1.26 -0.49 121.20 121.83 1ptu s ILE 134 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 1ptu s ILE 134 Cb -0.09 -0.86 0.13 0.00 0.01 0.00 0.00 42.46 41.65 1ptu s ILE 134 CO 0.11 0.32 0.57 -0.36 0.00 0.00 0.00 174.94 175.58 1ptu s PHE 135 N 1.42 3.26 0.17 3.97 0.08 -0.39 -4.94 117.98 121.55 1ptu s PHE 135 Ca -0.02 -1.30 -0.14 0.00 0.12 0.00 0.00 56.93 55.59 1ptu s PHE 135 Cb -0.13 -3.85 0.07 0.00 -0.57 0.00 0.00 43.02 38.54 1ptu s PHE 135 CO -0.04 -1.07 1.83 1.49 -0.10 0.00 0.00 175.22 177.33 1ptu h GLU 136 N 8.83 0.71 -0.58 0.44 4.81 -1.97 0.05 114.58 126.86 1ptu h GLU 136 Ca -0.25 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1ptu h GLU 136 Cb 1.09 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1ptu h GLU 136 CO 1.02 0.49 0.34 0.38 -0.73 0.00 0.00 179.01 180.51 1ptu h ASP 137 N 0.72 0.52 -0.06 1.04 2.03 -1.97 -2.99 116.42 115.72 1ptu h ASP 137 Ca 0.19 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1ptu h ASP 137 Cb -0.05 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1ptu h ASP 137 CO -0.04 0.36 0.00 0.35 -1.03 0.00 0.00 179.24 178.88 1ptu n THR 138 N -4.79 0.05 -3.44 1.15 -2.24 -1.12 -4.97 114.28 98.91 1ptu n THR 138 Ca 0.06 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1ptu n THR 138 Cb 0.11 1.24 0.08 0.00 -2.10 0.00 0.00 70.33 69.66 1ptu n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ptu n ASN 139 N 1.11 -2.59 -4.14 3.42 5.15 -0.02 -4.95 115.26 113.24 1ptu n ASN 139 Ca 0.15 -0.66 -0.16 0.00 -0.60 0.00 0.00 54.58 53.32 1ptu n ASN 139 Cb 0.55 -4.99 -0.12 0.00 -0.53 0.00 0.00 39.78 34.69 1ptu n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ptu s LEU 140 N -6.27 2.30 -0.07 1.20 1.43 -1.05 -1.69 118.68 114.53 1ptu s LEU 140 Ca 0.07 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1ptu s LEU 140 Cb -0.01 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 1ptu s LEU 140 CO 0.74 -0.16 -0.23 -0.75 0.23 0.00 0.00 176.35 176.19 1ptu s LYS 141 N -1.92 2.69 -0.11 1.70 2.20 -0.36 -1.26 119.74 122.67 1ptu s LYS 141 Ca -0.03 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1ptu s LYS 141 Cb -0.08 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1ptu s LYS 141 CO 0.01 0.36 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.96 1ptu s LEU 142 N -0.10 2.11 -0.00 5.43 2.96 0.36 -0.65 118.68 128.78 1ptu s LEU 142 Ca -0.05 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 1ptu s LEU 142 Cb -0.14 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1ptu s LEU 142 CO 0.04 0.13 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.22 1ptu s THR 143 N 0.51 0.76 -0.28 3.68 2.01 0.04 -0.12 115.64 122.24 1ptu s THR 143 Ca -0.15 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 1ptu s THR 143 Cb -0.17 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1ptu s THR 143 CO 0.05 0.18 0.95 -0.22 -0.69 0.00 0.00 174.62 174.90 1ptu s LEU 144 N -0.31 4.04 -0.12 4.42 2.96 -1.26 -0.72 118.68 127.69 1ptu s LEU 144 Ca 0.03 1.04 0.11 0.00 -0.22 0.00 0.00 54.13 55.09 1ptu s LEU 144 Cb -0.04 -3.37 -0.24 0.00 0.50 0.00 0.00 46.19 43.05 1ptu s LEU 144 CO -0.00 -0.70 0.38 -0.38 -1.32 0.00 0.00 176.35 174.33 1ptu n ILE 145 N 5.54 1.56 -3.62 6.68 2.08 -0.26 -4.26 119.36 127.07 1ptu n ILE 145 Ca 0.09 -0.78 -0.04 0.00 0.56 0.00 0.00 62.75 62.58 1ptu n ILE 145 Cb 0.47 -0.98 -0.03 0.00 -0.75 0.00 0.00 39.64 38.35 1ptu n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ptu s SER 146 N -6.05 -0.10 0.23 4.38 1.04 -1.11 -4.99 113.70 107.10 1ptu s SER 146 Ca -0.11 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1ptu s SER 146 Cb 0.07 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 1ptu s SER 146 CO 0.80 -0.14 0.00 -1.61 0.98 0.00 0.00 173.24 173.28 1ptu s GLU 147 N -1.70 1.34 -0.41 4.02 2.02 -1.26 -1.09 118.70 121.62 1ptu s GLU 147 Ca 0.08 -1.68 0.04 0.00 0.02 0.00 0.00 54.97 53.43 1ptu s GLU 147 Cb -0.01 -0.58 0.16 0.00 0.10 0.00 0.00 34.13 33.80 1ptu s GLU 147 CO -0.05 -0.11 0.42 0.34 0.02 0.00 0.00 175.26 175.88 1ptu s ASP 148 N -3.30 0.87 -0.03 -0.19 2.15 0.19 -4.98 116.67 111.38 1ptu s ASP 148 Ca 0.29 -2.04 -0.30 0.00 0.43 0.00 0.00 52.55 50.93 1ptu s ASP 148 Cb 0.06 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1ptu s ASP 148 CO 0.09 -0.20 1.12 -0.63 -0.17 0.00 0.00 175.17 175.37 1ptu s ILE 149 N 0.95 4.43 0.43 4.11 1.01 -1.26 -2.13 121.20 128.73 1ptu s ILE 149 Ca 0.23 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.66 1ptu s ILE 149 Cb -0.08 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1ptu s ILE 149 CO -0.07 0.06 0.04 -0.54 0.00 0.00 0.00 174.94 174.43 1ptu s LYS 150 N 1.67 1.98 0.12 2.79 -0.14 0.37 -5.00 119.74 121.52 1ptu s LYS 150 Ca 0.54 -2.19 -0.23 0.00 -1.36 0.00 0.00 55.97 52.73 1ptu s LYS 150 Cb -0.24 -1.21 -0.05 0.00 -1.68 0.00 0.00 37.83 34.65 1ptu s LYS 150 CO 0.24 -0.29 1.30 2.41 -0.76 0.00 0.00 175.35 178.25 1ptu n THR 151 N -1.01 -0.50 0.13 2.17 -1.04 -1.24 -3.86 114.28 108.93 1ptu n THR 151 Ca -0.10 2.03 0.02 0.00 -2.04 0.00 0.00 64.05 63.96 1ptu n THR 151 Cb 0.66 -2.54 -0.02 0.00 -1.82 0.00 0.00 70.33 66.61 1ptu n THR 151 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ptu n TYR 152 N -4.73 0.00 -4.25 -1.42 4.11 -1.26 -4.97 117.16 104.64 1ptu n TYR 152 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.78 1ptu n TYR 152 Cb 0.19 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.34 39.41 1ptu n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1ptu s TYR 153 N -1.58 1.28 -0.12 -3.48 -0.85 -1.25 -0.42 117.35 110.94 1ptu s TYR 153 Ca 0.01 -1.24 -0.10 0.00 -0.52 0.00 0.00 57.07 55.22 1ptu s TYR 153 Cb 0.03 -0.70 0.04 0.00 0.38 0.00 0.00 41.96 41.70 1ptu s TYR 153 CO 0.16 -0.45 0.31 0.99 -1.52 0.00 0.00 175.55 175.03 1ptu s THR 154 N -3.92 -0.01 -0.13 -3.49 2.01 0.74 -0.48 115.64 110.37 1ptu s THR 154 Ca 0.35 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1ptu s THR 154 Cb 0.07 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1ptu s THR 154 CO 0.10 0.01 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 1ptu s VAL 155 N 0.46 3.65 0.07 3.82 1.01 -0.91 0.19 120.40 128.69 1ptu s VAL 155 Ca -0.02 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1ptu s VAL 155 Cb -0.04 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1ptu s VAL 155 CO -0.02 0.53 -0.19 -0.13 0.00 0.00 0.00 175.10 175.28 1ptu s ARG 156 N 0.06 1.16 -0.37 2.72 0.52 -0.19 -0.64 118.95 122.22 1ptu s ARG 156 Ca -0.02 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.15 1ptu s ARG 156 Cb -0.14 -1.30 0.07 0.00 0.52 0.00 0.00 34.95 34.10 1ptu s ARG 156 CO 0.03 0.32 0.15 -1.14 0.02 0.00 0.00 175.30 174.68 1ptu s GLN 157 N -1.47 2.44 0.26 3.54 0.74 -0.25 -0.74 119.66 124.19 1ptu s GLN 157 Ca 0.05 -1.42 0.06 0.00 0.05 0.00 0.00 55.36 54.10 1ptu s GLN 157 Cb -0.09 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1ptu s GLN 157 CO 0.03 -0.83 0.35 -0.51 -0.55 0.00 0.00 175.29 173.77 1ptu s LEU 158 N 1.32 4.16 -0.12 3.68 1.43 -0.21 -1.11 118.68 127.84 1ptu s LEU 158 Ca 0.01 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1ptu s LEU 158 Cb -0.21 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.28 1ptu s LEU 158 CO 0.00 -0.14 -0.17 -0.70 0.23 0.00 0.00 176.35 175.57 1ptu s GLU 159 N -3.99 2.48 -0.09 1.70 2.12 0.10 -0.85 118.70 120.17 1ptu s GLU 159 Ca 0.36 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1ptu s GLU 159 Cb -0.09 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 1ptu s GLU 159 CO 0.29 -0.05 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.67 1ptu s LEU 160 N 0.93 2.84 0.00 2.70 2.96 0.23 -0.78 118.68 127.55 1ptu s LEU 160 Ca -0.07 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1ptu s LEU 160 Cb -0.15 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1ptu s LEU 160 CO -0.02 0.26 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.39 1ptu s GLU 161 N -0.21 1.41 -0.58 1.98 2.12 0.17 0.42 118.70 124.01 1ptu s GLU 161 Ca 0.01 -0.73 -0.23 0.00 0.36 0.00 0.00 54.97 54.38 1ptu s GLU 161 Cb -0.13 -1.41 0.05 0.00 0.26 0.00 0.00 34.13 32.91 1ptu s GLU 161 CO 0.03 0.38 0.90 1.21 -0.54 0.00 0.00 175.26 177.23 1ptu s ASN 162 N -0.67 6.27 0.44 -1.70 3.84 0.45 -1.23 114.94 122.33 1ptu s ASN 162 Ca 0.07 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 52.60 1ptu s ASN 162 Cb -0.07 -2.41 0.99 0.00 -0.55 0.00 0.00 41.25 39.21 1ptu s ASN 162 CO 0.00 -1.24 2.03 -0.07 -2.79 0.00 0.00 177.10 175.03 1ptu h LEU 163 N 10.89 0.37 -1.84 3.21 3.38 -1.62 1.14 115.31 130.84 1ptu h LEU 163 Ca -0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1ptu h LEU 163 Cb 1.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ptu h LEU 163 CO 1.10 0.25 -0.08 0.74 0.09 0.00 0.00 178.44 180.54 1ptu h THR 164 N 0.42 1.06 0.00 0.22 2.02 -1.89 -2.99 112.91 111.75 1ptu h THR 164 Ca 0.19 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ptu h THR 164 Cb 0.23 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1ptu h THR 164 CO -0.05 0.08 0.00 0.35 0.37 0.00 0.00 175.52 176.27 1ptu n THR 165 N -4.45 0.18 -1.36 3.16 -2.24 -0.59 -4.98 114.28 104.01 1ptu n THR 165 Ca -0.03 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1ptu n THR 165 Cb 0.16 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1ptu n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ptu n GLN 166 N -0.09 -1.54 -2.88 -0.78 6.02 0.38 -4.93 117.38 113.55 1ptu n GLN 166 Ca 0.00 0.90 -0.35 0.00 -0.01 0.00 0.00 57.00 57.55 1ptu n GLN 166 Cb 0.16 -5.21 -0.07 0.00 1.02 0.00 0.00 30.24 26.15 1ptu n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ptu s GLU 167 N -3.07 4.32 0.10 -1.09 2.12 -1.16 -4.83 118.70 115.09 1ptu s GLU 167 Ca 0.00 1.10 0.04 0.00 0.36 0.00 0.00 54.97 56.47 1ptu s GLU 167 Cb 0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1ptu s GLU 167 CO 0.00 0.15 -0.10 -0.08 -0.54 0.00 0.00 175.26 174.68 1ptu s THR 168 N -1.89 0.98 0.01 -1.70 -1.32 -1.26 -0.41 115.64 110.04 1ptu s THR 168 Ca 0.55 -1.69 -0.14 0.00 -1.21 0.00 0.00 61.69 59.20 1ptu s THR 168 Cb -0.13 -1.42 0.02 0.00 -1.51 0.00 0.00 72.50 69.46 1ptu s THR 168 CO 0.18 -0.57 0.30 -0.13 -2.21 0.00 0.00 174.62 172.19 1ptu s ARG 169 N -2.88 0.71 -0.31 7.08 0.52 0.17 -4.98 118.95 119.25 1ptu s ARG 169 Ca 0.07 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 54.84 1ptu s ARG 169 Cb -0.02 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 1ptu s ARG 169 CO 0.00 -0.20 0.28 -2.00 0.02 0.00 0.00 175.30 173.40 1ptu s GLU 170 N -1.73 3.75 -0.21 3.54 2.12 -1.26 0.74 118.70 125.65 1ptu s GLU 170 Ca -0.11 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 1ptu s GLU 170 Cb -0.04 -3.73 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 1ptu s GLU 170 CO 0.02 -0.35 -0.08 0.42 -0.54 0.00 0.00 175.26 174.72 1ptu s ILE 171 N 1.88 3.03 0.15 -3.70 -1.09 -0.03 -4.89 121.20 116.56 1ptu s ILE 171 Ca 0.10 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 57.63 1ptu s ILE 171 Cb -0.16 -2.36 -0.07 0.00 -1.58 0.00 0.00 42.46 38.29 1ptu s ILE 171 CO 0.11 0.45 0.85 -0.76 -1.23 0.00 0.00 174.94 174.37 1ptu s LEU 172 N 1.42 4.56 -0.16 2.97 1.43 -0.27 -1.04 118.68 127.59 1ptu s LEU 172 Ca 0.05 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1ptu s LEU 172 Cb -0.14 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.68 1ptu s LEU 172 CO -0.06 0.11 -0.18 -2.28 0.23 0.00 0.00 176.35 174.17 1ptu s HIS 173 N -0.74 2.51 -0.36 0.29 2.46 0.08 -1.05 115.29 118.49 1ptu s HIS 173 Ca 0.40 -1.42 -0.07 0.00 0.47 0.00 0.00 55.06 54.44 1ptu s HIS 173 Cb -0.23 -1.77 0.05 0.00 -0.13 0.00 0.00 32.58 30.50 1ptu s HIS 173 CO 0.28 -0.72 0.13 -0.06 -2.47 0.00 0.00 174.74 171.91 1ptu s PHE 174 N 1.27 3.29 -0.32 3.88 0.40 0.15 -1.02 117.98 125.64 1ptu s PHE 174 Ca 0.03 -1.52 -0.08 0.00 -0.60 0.00 0.00 56.93 54.76 1ptu s PHE 174 Cb -0.13 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.96 1ptu s PHE 174 CO -0.10 -0.77 0.11 -1.58 0.70 0.00 0.00 175.22 173.58 1ptu s HIS 175 N 1.39 3.19 -0.44 0.36 2.46 0.13 -0.86 115.29 121.51 1ptu s HIS 175 Ca -0.00 -1.03 -0.22 0.00 0.47 0.00 0.00 55.06 54.27 1ptu s HIS 175 Cb -0.20 -2.29 0.02 0.00 -0.13 0.00 0.00 32.58 29.98 1ptu s HIS 175 CO 0.02 -0.61 0.71 -0.47 -2.47 0.00 0.00 174.74 171.93 1ptu s TYR 176 N 1.50 3.03 -1.60 3.88 6.14 0.03 -0.18 117.35 130.15 1ptu s TYR 176 Ca 0.02 0.05 0.23 0.00 0.64 0.00 0.00 57.07 58.01 1ptu s TYR 176 Cb -0.18 -3.50 0.06 0.00 0.42 0.00 0.00 41.96 38.76 1ptu s TYR 176 CO 0.03 -0.92 1.11 0.25 0.64 0.00 0.00 175.55 176.66 1ptu n THR 177 N 5.99 0.00 -2.40 4.34 -2.24 0.44 -3.74 114.28 116.67 1ptu n THR 177 Ca 0.00 -0.14 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 1ptu n THR 177 Cb 0.48 0.99 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1ptu n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ptu n THR 178 N -0.68 2.52 -3.72 4.28 -2.24 -1.14 -4.84 114.28 108.46 1ptu n THR 178 Ca 0.08 -4.83 -0.29 0.00 -2.27 0.00 0.00 64.05 56.73 1ptu n THR 178 Cb 0.40 -1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 1ptu n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ptu s TRP 179 N -3.60 1.45 0.71 4.78 -0.11 -1.26 -4.37 118.94 116.53 1ptu s TRP 179 Ca 0.49 -1.48 -0.15 0.00 1.22 0.00 0.00 56.10 56.18 1ptu s TRP 179 Cb 0.41 -1.49 0.03 0.00 -1.50 0.00 0.00 33.47 30.91 1ptu s TRP 179 CO -0.21 -0.82 1.16 -2.14 -4.62 0.00 0.00 176.95 170.33 1ptu s PRO 180 N 1.71 2.36 0.10 5.86 0.02 -1.26 -4.77 135.00 139.01 1ptu s PRO 180 Ca 0.07 1.59 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 1ptu s PRO 180 Cb -0.17 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1ptu s PRO 180 CO -0.23 -1.63 1.56 0.34 -0.33 0.00 0.00 177.00 176.71 1ptu s ASP 181 N -2.31 6.65 -1.36 2.53 2.15 -1.26 -0.83 116.67 122.24 1ptu s ASP 181 Ca 0.71 2.47 -0.01 0.00 0.43 0.00 0.00 52.55 56.15 1ptu s ASP 181 Cb -0.25 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1ptu s ASP 181 CO 0.44 -0.82 0.10 0.49 -0.17 0.00 0.00 175.17 175.22 1ptu n PHE 182 N 4.82 -0.94 -4.49 -5.34 3.01 -1.26 -4.97 117.46 108.28 1ptu n PHE 182 Ca 0.14 0.09 -0.25 0.00 1.01 0.00 0.00 57.45 58.44 1ptu n PHE 182 Cb 0.40 -3.43 -0.08 0.00 -0.01 0.00 0.00 39.48 36.37 1ptu n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ptu n GLY 183 N -1.09 3.16 3.51 1.37 0.00 -0.01 -5.02 105.19 107.11 1ptu n GLY 183 Ca -0.17 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 1ptu n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ptu s VAL 184 N -3.18 2.68 0.85 1.61 -7.23 -1.26 -4.74 120.40 109.14 1ptu s VAL 184 Ca 0.24 -2.30 -0.10 0.00 -1.81 0.00 0.00 61.98 58.01 1ptu s VAL 184 Cb 0.01 -2.42 0.11 0.00 0.56 0.00 0.00 36.38 34.63 1ptu s VAL 184 CO 0.17 -0.39 1.11 -2.84 -0.31 0.00 0.00 175.10 172.84 1ptu s PRO 185 N -3.55 1.58 0.48 4.82 0.02 -1.26 -4.49 135.00 132.60 1ptu s PRO 185 Ca 0.30 1.30 0.23 0.00 0.02 0.00 0.00 61.00 62.85 1ptu s PRO 185 Cb -0.05 -1.81 1.26 0.00 0.02 0.00 0.00 34.50 33.92 1ptu s PRO 185 CO 0.16 -2.16 1.89 0.93 -0.33 0.00 0.00 177.00 177.49 1ptu h GLU 186 N -1.51 0.20 -1.08 5.54 3.07 -1.97 -3.45 114.58 115.38 1ptu h GLU 186 Ca -0.44 -0.01 0.34 0.00 -0.50 0.00 0.00 59.36 58.75 1ptu h GLU 186 Cb 1.25 -0.05 -0.19 0.00 -0.84 0.00 0.00 28.75 28.93 1ptu h GLU 186 CO 0.47 0.14 0.97 -1.54 -1.40 0.00 0.00 179.01 177.65 1ptu s SER 187 N -5.75 -0.02 0.38 1.42 1.04 -1.26 -4.99 113.70 104.53 1ptu s SER 187 Ca -0.07 -0.01 0.12 0.00 0.48 0.00 0.00 55.95 56.48 1ptu s SER 187 Cb 0.22 0.02 0.92 0.00 0.10 0.00 0.00 66.02 67.28 1ptu s SER 187 CO 0.77 -0.04 1.88 -0.65 0.98 0.00 0.00 173.24 176.18 1ptu h PRO 188 N 2.00 0.56 0.45 4.02 0.11 -1.94 -2.65 132.00 134.55 1ptu h PRO 188 Ca -0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1ptu h PRO 188 Cb 1.14 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1ptu h PRO 188 CO 0.21 0.37 -0.48 0.00 -0.21 0.00 0.00 178.00 177.90 1ptu h ALA 189 N 1.61 -1.12 -0.76 -0.75 0.00 -1.94 -0.43 119.26 115.87 1ptu h ALA 189 Ca 0.43 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1ptu h ALA 189 Cb 0.82 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1ptu h ALA 189 CO -0.18 -1.16 0.35 0.77 0.00 0.00 0.00 179.25 179.03 1ptu h SER 190 N -0.93 0.41 0.37 0.00 0.02 -1.74 0.16 113.55 111.84 1ptu h SER 190 Ca -0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ptu h SER 190 Cb 0.81 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1ptu h SER 190 CO -0.07 0.19 -0.18 0.15 -1.14 0.00 0.00 176.83 175.78 1ptu h PHE 191 N 0.55 -0.46 -0.73 3.45 3.57 -1.38 -1.17 116.94 120.76 1ptu h PHE 191 Ca 0.40 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.91 1ptu h PHE 191 Cb 0.52 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1ptu h PHE 191 CO -0.13 -0.15 0.48 -0.07 -2.23 0.00 0.00 178.31 176.22 1ptu h LEU 192 N -0.79 0.80 -0.46 0.59 3.38 -1.01 0.15 115.31 117.97 1ptu h LEU 192 Ca -0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ptu h LEU 192 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ptu h LEU 192 CO 0.08 0.56 -0.04 -1.13 0.09 0.00 0.00 178.44 178.00 1ptu h ASN 193 N 0.93 0.84 -0.18 -0.43 -1.24 -0.63 -2.51 115.58 112.36 1ptu h ASN 193 Ca 0.28 -0.33 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1ptu h ASN 193 Cb -0.01 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 1ptu h ASN 193 CO -0.07 0.97 0.01 0.15 -1.29 0.00 0.00 177.43 177.19 1ptu h PHE 194 N 0.69 0.35 -0.10 0.67 3.57 0.05 -2.28 116.94 119.89 1ptu h PHE 194 Ca 0.13 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ptu h PHE 194 Cb 0.56 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1ptu h PHE 194 CO 0.04 0.52 -0.23 1.25 -2.23 0.00 0.00 178.31 177.66 1ptu h LEU 195 N 0.08 -0.71 -1.80 0.59 6.46 -0.75 -1.45 115.31 117.72 1ptu h LEU 195 Ca 0.05 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1ptu h LEU 195 Cb 0.37 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1ptu h LEU 195 CO 0.01 -0.29 0.18 -0.26 -0.62 0.00 0.00 178.44 177.46 1ptu h PHE 196 N -0.31 0.25 -0.06 1.25 0.04 -1.43 0.51 116.94 117.20 1ptu h PHE 196 Ca 0.09 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1ptu h PHE 196 Cb 0.44 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1ptu h PHE 196 CO -0.32 0.15 0.02 0.87 -0.60 0.00 0.00 178.31 178.43 1ptu h LYS 197 N 0.27 0.10 -0.68 1.51 1.79 -0.68 0.26 116.57 119.13 1ptu h LYS 197 Ca 0.11 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1ptu h LYS 197 Cb 0.10 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 1ptu h LYS 197 CO -0.02 0.28 0.41 0.28 -1.08 0.00 0.00 179.45 179.32 1ptu h VAL 198 N -0.10 1.06 0.05 0.50 2.07 -0.34 -1.04 116.25 118.46 1ptu h VAL 198 Ca 0.02 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1ptu h VAL 198 Cb 0.22 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1ptu h VAL 198 CO -0.00 0.15 -0.09 0.03 0.02 0.00 0.00 177.57 177.67 1ptu h ARG 199 N 0.80 -0.18 -0.00 1.57 3.08 0.26 -2.75 114.38 117.16 1ptu h ARG 199 Ca 0.28 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 1ptu h ARG 199 Cb 0.07 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ptu h ARG 199 CO -0.13 -0.12 -0.24 0.93 -1.07 0.00 0.00 179.97 179.35 1ptu h GLU 200 N -0.18 0.00 0.00 0.04 5.08 -0.24 -2.17 114.58 117.11 1ptu h GLU 200 Ca 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ptu h GLU 200 Cb 0.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ptu h GLU 200 CO -0.05 0.24 0.24 0.66 -1.00 0.00 0.00 179.01 179.10 1ptu h SER 201 N 0.00 0.00 0.00 1.42 4.64 -0.90 -3.43 113.55 115.28 1ptu h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ptu h SER 201 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ptu h SER 201 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1ptu n GLY 202 N -1.21 0.82 0.31 -0.77 0.00 -0.82 -4.95 105.19 98.57 1ptu n GLY 202 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 1ptu n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ptu h SER 203 N 0.00 0.90 -0.09 1.61 0.02 -1.74 -2.55 113.55 111.70 1ptu h SER 203 Ca 0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1ptu h SER 203 Cb 0.00 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1ptu h SER 203 CO 0.00 0.89 0.01 0.18 -1.14 0.00 0.00 176.83 176.77 1ptu n LEU 204 N -4.24 1.83 -4.72 5.07 4.77 -1.26 -4.57 117.00 113.89 1ptu n LEU 204 Ca 0.04 -0.92 -0.39 0.00 -0.03 0.00 0.00 56.01 54.71 1ptu n LEU 204 Cb 0.26 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1ptu n LEU 204 CO 0.41 0.32 0.32 -0.44 -1.33 0.00 0.00 177.39 176.68 1ptu s SER 205 N -0.07 6.87 0.58 -1.43 0.01 -0.96 -4.95 113.70 113.75 1ptu s SER 205 Ca 0.08 1.04 0.07 0.00 1.31 0.00 0.00 55.95 58.45 1ptu s SER 205 Cb 0.06 -2.37 0.36 0.00 0.21 0.00 0.00 66.02 64.29 1ptu s SER 205 CO 0.02 -0.08 1.15 1.55 0.41 0.00 0.00 173.24 176.29 1ptu h PRO 206 N 6.78 0.00 -0.01 12.44 0.13 -1.89 0.21 132.00 149.65 1ptu h PRO 206 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ptu h PRO 206 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ptu h PRO 206 CO 0.76 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.65 1ptu n GLU 207 N -2.42 1.20 -4.64 0.86 0.00 -1.26 -4.86 120.64 109.52 1ptu n GLU 207 Ca -0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 57.16 56.42 1ptu n GLU 207 Cb 0.80 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.65 1ptu n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ptu s HIS 208 N -2.10 2.25 0.90 -1.84 3.76 0.72 -5.14 115.29 113.83 1ptu s HIS 208 Ca 0.40 -0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 1ptu s HIS 208 Cb 0.21 -1.66 0.22 0.00 1.11 0.00 0.00 32.58 32.47 1ptu s HIS 208 CO 0.38 0.31 0.84 0.41 -0.85 0.00 0.00 174.74 175.83 1ptu n GLY 209 N -1.02 -2.54 3.77 -2.22 0.00 0.25 -4.94 105.19 98.48 1ptu n GLY 209 Ca -0.09 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1ptu n GLY 209 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ptu s PRO 210 N -4.90 3.92 0.32 1.61 0.02 -1.25 -4.56 135.00 130.14 1ptu s PRO 210 Ca 0.54 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.33 1ptu s PRO 210 Cb -0.05 -2.68 -0.10 0.00 0.02 0.00 0.00 34.50 31.69 1ptu s PRO 210 CO 0.41 -0.51 1.27 0.54 -0.33 0.00 0.00 177.00 178.38 1ptu s VAL 211 N -1.32 2.87 -0.29 3.83 0.11 -1.26 -4.38 120.40 119.97 1ptu s VAL 211 Ca 0.58 0.86 -0.14 0.00 -2.93 0.00 0.00 61.98 60.35 1ptu s VAL 211 Cb -0.36 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1ptu s VAL 211 CO 0.46 0.20 0.35 -0.69 -3.33 0.00 0.00 175.10 172.09 1ptu s VAL 212 N -1.07 5.19 -0.08 2.04 1.01 -1.10 -0.63 120.40 125.76 1ptu s VAL 212 Ca 0.49 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1ptu s VAL 212 Cb -0.38 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ptu s VAL 212 CO 0.50 0.12 -0.14 -0.69 0.00 0.00 0.00 175.10 174.89 1ptu s VAL 213 N 2.03 3.07 0.16 2.92 1.01 0.11 -1.01 120.40 128.69 1ptu s VAL 213 Ca 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1ptu s VAL 213 Cb -0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1ptu s VAL 213 CO 0.10 0.57 0.24 -1.38 0.00 0.00 0.00 175.10 174.63 1ptu s HIS 214 N -0.32 0.53 0.00 5.22 -3.43 -0.19 -2.01 115.29 115.08 1ptu s HIS 214 Ca 0.03 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.40 1ptu s HIS 214 Cb -0.13 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 1ptu s HIS 214 CO 0.02 -0.69 0.00 -1.13 -2.00 0.00 0.00 174.74 170.94 1ptu n SER 215 N -0.20 0.14 -0.03 7.38 3.41 -1.25 -0.81 113.62 122.25 1ptu n SER 215 Ca -0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.40 1ptu n SER 215 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1ptu n SER 215 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ptu h SER 216 N 0.00 0.39 0.00 4.04 0.87 -1.90 -2.69 113.55 114.26 1ptu h SER 216 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1ptu h SER 216 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ptu h SER 216 CO 0.00 0.97 -1.02 0.00 -0.53 0.00 0.00 176.83 176.25 1ptu n ALA 217 N -2.50 3.75 -1.62 6.23 0.00 -1.26 0.41 120.51 125.52 1ptu n ALA 217 Ca -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 1ptu n ALA 217 Cb 0.49 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 1ptu n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptu n GLY 218 N 1.42 0.41 0.00 0.00 0.00 -1.16 -3.87 105.19 102.00 1ptu n GLY 218 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ptu n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ptu n ILE 219 N -3.51 0.00 0.00 -0.61 -5.35 -1.26 -4.40 119.36 104.23 1ptu n ILE 219 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1ptu n ILE 219 Cb 0.33 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 1ptu n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ptu n GLY 220 N 2.25 0.90 0.29 3.28 0.00 -1.26 -0.93 105.19 109.72 1ptu n GLY 220 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ptu n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ptu h ARG 221 N 0.00 0.42 -0.31 1.61 3.08 -1.94 -1.91 114.38 115.33 1ptu h ARG 221 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1ptu h ARG 221 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1ptu h ARG 221 CO 0.00 0.32 -0.01 0.77 -1.07 0.00 0.00 179.97 179.97 1ptu h SER 222 N 0.42 0.55 -0.65 7.04 0.02 -1.87 0.45 113.55 119.51 1ptu h SER 222 Ca 0.11 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1ptu h SER 222 Cb 0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1ptu h SER 222 CO -0.02 0.73 0.20 1.23 -1.14 0.00 0.00 176.83 177.84 1ptu h GLY 223 N 0.35 1.09 0.91 -3.77 0.00 -0.97 -2.03 103.07 98.65 1ptu h GLY 223 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1ptu h GLY 223 CO 0.02 0.61 -0.13 -0.84 0.00 0.00 0.00 176.54 176.19 1ptu h THR 224 N 0.94 0.75 -0.13 4.70 2.02 -1.28 0.83 112.91 120.74 1ptu h THR 224 Ca 0.21 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1ptu h THR 224 Cb 0.30 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1ptu h THR 224 CO -0.01 0.04 -0.42 0.15 0.37 0.00 0.00 175.52 175.66 1ptu h PHE 225 N -0.47 -1.19 -0.19 3.16 3.57 -0.85 -2.35 116.94 118.61 1ptu h PHE 225 Ca -0.04 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1ptu h PHE 225 Cb 0.36 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1ptu h PHE 225 CO -0.03 -0.47 -0.24 0.00 -2.23 0.00 0.00 178.31 175.33 1ptu h LEU 227 N 0.32 -0.54 -0.81 0.00 5.85 0.10 -1.28 115.31 118.95 1ptu h LEU 227 Ca 0.05 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1ptu h LEU 227 Cb 0.60 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1ptu h LEU 227 CO 0.04 -0.27 0.46 0.00 -0.34 0.00 0.00 178.44 178.33 1ptu h ALA 228 N -0.37 1.14 -0.13 1.25 0.00 -1.42 -1.08 119.26 118.66 1ptu h ALA 228 Ca -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ptu h ALA 228 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ptu h ALA 228 CO 0.11 0.11 -0.11 0.22 0.00 0.00 0.00 179.25 179.57 1ptu h ASP 229 N 0.79 0.33 -0.69 0.00 3.58 -1.46 -2.53 116.42 116.44 1ptu h ASP 229 Ca 0.38 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1ptu h ASP 229 Cb 0.32 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1ptu h ASP 229 CO -0.23 0.73 0.42 0.74 -2.88 0.00 0.00 179.24 178.01 1ptu h THR 230 N -0.07 1.20 -0.81 2.25 2.02 -0.76 -1.71 112.91 115.03 1ptu h THR 230 Ca 0.02 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1ptu h THR 230 Cb 0.63 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1ptu h THR 230 CO 0.03 0.20 0.51 0.00 0.37 0.00 0.00 175.52 176.64 1ptu h LEU 232 N 1.00 0.12 0.76 0.00 3.38 -1.11 -1.39 115.31 118.08 1ptu h LEU 232 Ca 0.32 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1ptu h LEU 232 Cb 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ptu h LEU 232 CO -0.12 0.41 -0.37 -0.07 0.09 0.00 0.00 178.44 178.39 1ptu h LEU 233 N 0.11 -0.87 0.05 1.67 4.07 -0.33 -2.40 115.31 117.62 1ptu h LEU 233 Ca 0.02 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.02 1ptu h LEU 233 Cb 0.57 0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.49 1ptu h LEU 233 CO 0.04 -0.60 -0.24 -0.07 -1.08 0.00 0.00 178.44 176.49 1ptu h LEU 234 N -1.06 -0.69 -1.57 1.67 3.38 -1.22 0.24 115.31 116.04 1ptu h LEU 234 Ca -0.10 0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.24 1ptu h LEU 234 Cb 0.79 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1ptu h LEU 234 CO 0.17 -0.32 0.72 0.24 0.09 0.00 0.00 178.44 179.34 1ptu h MET 235 N -0.41 0.25 0.04 1.13 2.86 -1.23 0.41 114.93 117.98 1ptu h MET 235 Ca 0.05 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1ptu h MET 235 Cb 0.46 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ptu h MET 235 CO -0.18 0.17 -0.36 0.22 1.06 0.00 0.00 176.91 177.82 1ptu h ASP 236 N 0.26 0.24 -0.08 1.22 3.58 -0.73 0.39 116.42 121.29 1ptu h ASP 236 Ca 0.58 -0.90 0.02 0.00 0.42 0.00 0.00 57.03 57.15 1ptu h ASP 236 Cb 1.74 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.71 1ptu h ASP 236 CO -0.20 1.12 0.21 0.11 -2.88 0.00 0.00 179.24 177.60 1ptu h LYS 237 N -0.61 0.00 0.00 0.28 1.79 0.18 0.46 116.57 118.67 1ptu h LYS 237 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1ptu h LYS 237 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1ptu h LYS 237 CO 0.07 0.00 -0.11 2.89 -1.08 0.00 0.00 179.45 181.22 1ptu n ARG 238 N -3.27 1.24 0.00 3.15 1.85 0.12 -4.98 116.66 114.77 1ptu n ARG 238 Ca -0.01 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 55.02 1ptu n ARG 238 Cb 0.30 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 1ptu n ARG 238 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ptu n LYS 239 N -0.80 0.00 -2.84 2.89 5.02 0.16 -4.48 118.16 118.12 1ptu n LYS 239 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1ptu n LYS 239 Cb 0.56 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.60 1ptu n LYS 239 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ptu n ASP 240 N 0.00 -2.24 -0.34 4.39 2.03 -1.17 -5.02 116.55 114.20 1ptu n ASP 240 Ca 0.00 -3.21 0.22 0.00 0.52 0.00 0.00 54.79 52.31 1ptu n ASP 240 Cb 0.00 1.34 0.45 0.00 -0.72 0.00 0.00 41.12 42.19 1ptu n ASP 240 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ptu h PRO 241 N 3.93 0.42 -0.99 -0.67 0.13 -1.79 -2.94 132.00 130.08 1ptu h PRO 241 Ca -0.10 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.34 1ptu h PRO 241 Cb 1.01 -0.09 -0.18 0.00 0.13 0.00 0.00 31.00 31.86 1ptu h PRO 241 CO 0.35 0.28 0.29 1.03 -0.23 0.00 0.00 178.00 179.71 1ptu h SER 242 N 0.43 -0.07 0.00 1.44 0.87 -1.95 0.74 113.55 115.01 1ptu h SER 242 Ca 0.69 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.52 1ptu h SER 242 Cb 1.51 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1ptu h SER 242 CO -0.52 -0.39 0.00 -1.54 -0.53 0.00 0.00 176.83 173.85 1ptu n SER 243 N -5.37 1.19 -4.44 6.23 3.41 -1.11 -4.77 113.62 108.76 1ptu n SER 243 Ca 0.30 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.59 1ptu n SER 243 Cb 1.01 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 1ptu n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ptu s VAL 244 N -0.88 4.80 -0.38 -3.33 1.01 0.25 -5.04 120.40 116.84 1ptu s VAL 244 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1ptu s VAL 244 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ptu s VAL 244 CO 0.00 -0.06 0.43 -0.62 0.00 0.00 0.00 175.10 174.84 1ptu s ASP 245 N 1.63 6.21 -0.00 3.32 -1.08 -1.26 -4.75 116.67 120.73 1ptu s ASP 245 Ca 0.04 -0.37 -0.24 0.00 -0.52 0.00 0.00 52.55 51.46 1ptu s ASP 245 Cb -0.18 -2.22 -0.18 0.00 -1.46 0.00 0.00 42.92 38.88 1ptu s ASP 245 CO 0.08 -0.47 1.29 0.40 0.52 0.00 0.00 175.17 176.99 1ptu h ILE 246 N 5.64 1.37 -0.99 4.11 2.04 -1.98 -0.92 117.51 126.79 1ptu h ILE 246 Ca -0.28 -1.20 0.16 0.00 1.00 0.00 0.00 64.86 64.54 1ptu h ILE 246 Cb 1.13 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 39.18 1ptu h ILE 246 CO 0.75 0.33 0.62 0.11 0.00 0.00 0.00 178.15 179.95 1ptu h LYS 247 N -0.32 0.81 -0.16 2.37 1.57 -1.98 0.51 116.57 119.36 1ptu h LYS 247 Ca 0.01 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 1ptu h LYS 247 Cb 0.55 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ptu h LYS 247 CO 0.01 0.53 -0.71 -0.22 -0.57 0.00 0.00 179.45 178.49 1ptu h LYS 248 N 0.83 0.69 -0.50 3.15 3.64 -1.96 -0.63 116.57 121.79 1ptu h LYS 248 Ca 0.52 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ptu h LYS 248 Cb 0.73 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1ptu h LYS 248 CO -0.30 1.15 0.32 0.28 -2.27 0.00 0.00 179.45 178.62 1ptu h VAL 249 N 0.49 1.14 -0.53 2.00 2.07 0.12 0.72 116.25 122.25 1ptu h VAL 249 Ca -0.03 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1ptu h VAL 249 Cb 1.32 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1ptu h VAL 249 CO 0.14 0.14 0.32 0.25 0.02 0.00 0.00 177.57 178.45 1ptu h LEU 250 N 0.67 0.53 -1.06 2.57 5.85 -0.08 0.95 115.31 124.74 1ptu h LEU 250 Ca 0.18 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1ptu h LEU 250 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1ptu h LEU 250 CO -0.04 0.37 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.27 1ptu h LEU 251 N 0.64 0.55 -0.40 2.25 3.38 -0.36 0.17 115.31 121.54 1ptu h LEU 251 Ca 0.21 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ptu h LEU 251 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ptu h LEU 251 CO -0.09 0.68 -0.03 -0.08 0.09 0.00 0.00 178.44 179.01 1ptu h GLU 252 N 0.53 0.73 -0.65 1.13 4.57 0.19 -2.93 114.58 118.15 1ptu h GLU 252 Ca 0.10 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 1ptu h GLU 252 Cb 0.48 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1ptu h GLU 252 CO 0.03 0.83 0.24 0.52 -1.18 0.00 0.00 179.01 179.44 1ptu h MET 253 N 0.55 0.96 -0.04 1.92 2.86 0.18 -2.62 114.93 118.74 1ptu h MET 253 Ca 0.11 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ptu h MET 253 Cb 0.52 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ptu h MET 253 CO 0.03 0.80 0.00 0.54 1.06 0.00 0.00 176.91 179.33 1ptu n ARG 254 N -4.30 0.58 0.07 1.72 1.74 0.50 -1.93 116.66 115.04 1ptu n ARG 254 Ca 0.05 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1ptu n ARG 254 Cb 0.19 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1ptu n ARG 254 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ptu n LYS 255 N -0.45 0.52 -0.09 5.56 5.02 -0.99 -4.26 118.16 123.48 1ptu n LYS 255 Ca 0.00 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1ptu n LYS 255 Cb 0.01 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.16 1ptu n LYS 255 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ptu n PHE 256 N -2.41 0.00 -3.69 2.13 3.72 -0.81 -4.95 117.46 111.45 1ptu n PHE 256 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1ptu n PHE 256 Cb 0.52 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 38.07 1ptu n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1ptu s ARG 257 N -2.45 0.73 0.32 -1.08 3.52 -1.21 -4.51 118.95 114.28 1ptu s ARG 257 Ca -0.11 0.18 -0.21 0.00 -0.13 0.00 0.00 55.73 55.46 1ptu s ARG 257 Cb 0.06 0.34 -0.09 0.00 -1.56 0.00 0.00 34.95 33.69 1ptu s ARG 257 CO 0.73 -0.18 0.84 0.00 -0.81 0.00 0.00 175.30 175.88 1ptu s MET 258 N -0.81 4.29 -0.36 5.12 0.23 -1.26 -4.15 119.30 122.36 1ptu s MET 258 Ca -0.09 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.58 1ptu s MET 258 Cb -0.03 -2.60 0.00 0.00 -1.53 0.00 0.00 34.83 30.66 1ptu s MET 258 CO 0.05 0.22 0.00 0.41 -2.03 0.00 0.00 175.02 173.66 1ptu n GLY 259 N 0.14 0.58 3.54 3.16 0.00 -1.26 -4.83 105.19 106.52 1ptu n GLY 259 Ca 0.02 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 1ptu n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ptu n LEU 260 N -0.38 2.75 -0.55 0.99 4.77 -1.25 -3.60 117.00 119.72 1ptu n LEU 260 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1ptu n LEU 260 Cb 0.24 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1ptu n LEU 260 CO 0.05 -0.79 0.00 -0.38 -1.33 0.00 0.00 177.39 174.94 1ptu n ILE 261 N 7.61 -1.12 0.78 -0.08 5.41 -0.11 -4.91 119.36 126.95 1ptu n ILE 261 Ca 0.35 0.00 0.11 0.00 1.00 0.00 0.00 62.75 64.21 1ptu n ILE 261 Cb 0.38 -1.67 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 1ptu n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ptu n GLN 262 N 1.33 0.14 -3.95 0.38 1.13 -1.24 -4.94 117.38 110.23 1ptu n GLN 262 Ca 0.00 -0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 54.95 1ptu n GLN 262 Cb 0.00 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 28.74 1ptu n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ptu s THR 263 N -3.11 0.16 0.14 5.09 -4.23 -1.26 -5.04 115.64 107.39 1ptu s THR 263 Ca 0.05 -1.29 -0.14 0.00 -1.18 0.00 0.00 61.69 59.13 1ptu s THR 263 Cb 0.16 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.86 1ptu s THR 263 CO 0.84 -0.71 1.66 0.00 -0.54 0.00 0.00 174.62 175.87 1ptu h ALA 264 N 3.32 0.60 -0.67 3.99 0.00 -1.94 -1.87 119.26 122.69 1ptu h ALA 264 Ca -0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1ptu h ALA 264 Cb 1.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ptu h ALA 264 CO 0.56 0.26 0.32 0.22 0.00 0.00 0.00 179.25 180.61 1ptu h ASP 265 N 0.61 0.86 -0.06 0.00 3.58 -1.96 0.46 116.42 119.91 1ptu h ASP 265 Ca 0.15 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1ptu h ASP 265 Cb 0.28 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1ptu h ASP 265 CO -0.00 0.73 -0.03 1.56 -2.88 0.00 0.00 179.24 178.62 1ptu h GLN 266 N 0.95 0.23 -0.07 0.28 4.20 -1.82 0.64 115.11 119.52 1ptu h GLN 266 Ca 0.23 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1ptu h GLN 266 Cb 0.11 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ptu h GLN 266 CO -0.03 0.28 -0.14 1.25 -0.67 0.00 0.00 178.83 179.53 1ptu h LEU 267 N 0.23 0.25 -1.27 1.46 5.85 0.04 -0.87 115.31 121.00 1ptu h LEU 267 Ca 0.05 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1ptu h LEU 267 Cb 0.21 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1ptu h LEU 267 CO 0.01 0.76 0.49 -0.09 -0.34 0.00 0.00 178.44 179.27 1ptu h ARG 268 N -0.26 0.98 -0.28 1.25 2.43 0.54 -2.30 114.38 116.74 1ptu h ARG 268 Ca 0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1ptu h ARG 268 Cb 0.72 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ptu h ARG 268 CO 0.03 0.65 0.10 0.35 -1.51 0.00 0.00 179.97 179.59 1ptu h PHE 269 N 1.01 0.44 -1.00 2.20 3.57 0.44 -2.52 116.94 121.08 1ptu h PHE 269 Ca 0.27 -0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.96 1ptu h PHE 269 Cb -0.12 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.39 1ptu h PHE 269 CO -0.00 0.46 0.63 0.77 -2.23 0.00 0.00 178.31 177.94 1ptu h SER 270 N 0.30 0.59 0.27 0.41 0.02 -0.58 0.54 113.55 115.11 1ptu h SER 270 Ca 0.09 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1ptu h SER 270 Cb 0.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ptu h SER 270 CO -0.00 0.16 -0.13 1.88 -1.14 0.00 0.00 176.83 177.59 1ptu h TYR 271 N 0.55 -0.34 -0.27 3.45 -1.99 -1.30 -1.04 116.97 116.03 1ptu h TYR 271 Ca 0.58 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.37 1ptu h TYR 271 Cb 1.21 0.11 -0.07 0.00 2.00 0.00 0.00 36.73 39.99 1ptu h TYR 271 CO -0.00 -0.04 -0.19 -0.07 -0.00 0.00 0.00 178.16 177.86 1ptu h LEU 272 N -0.64 -0.62 -0.21 3.88 3.38 -1.09 0.33 115.31 120.34 1ptu h LEU 272 Ca -0.04 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ptu h LEU 272 Cb 0.45 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ptu h LEU 272 CO 0.06 -0.23 0.08 0.00 0.09 0.00 0.00 178.44 178.44 1ptu h ALA 273 N 0.98 0.24 -0.40 1.53 0.00 -0.92 0.04 119.26 120.72 1ptu h ALA 273 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ptu h ALA 273 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ptu h ALA 273 CO -0.38 -0.34 0.13 0.28 0.00 0.00 0.00 179.25 178.94 1ptu h VAL 274 N 0.18 1.21 0.54 0.00 2.07 -0.61 -0.44 116.25 119.20 1ptu h VAL 274 Ca 0.09 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1ptu h VAL 274 Cb 0.05 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ptu h VAL 274 CO -0.09 0.25 -0.31 0.40 0.02 0.00 0.00 177.57 177.84 1ptu h ILE 275 N 0.51 0.00 -0.84 4.57 2.04 -0.21 -2.49 117.51 121.09 1ptu h ILE 275 Ca 0.13 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.18 1ptu h ILE 275 Cb 0.25 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.18 1ptu h ILE 275 CO -0.00 0.00 -0.07 -0.08 0.00 0.00 0.00 178.15 178.00 1ptu h GLU 276 N -0.78 0.05 -0.38 2.37 4.57 -0.97 -2.48 114.58 116.95 1ptu h GLU 276 Ca -0.07 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1ptu h GLU 276 Cb 0.62 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.12 1ptu h GLU 276 CO 0.09 0.03 -0.18 0.78 -1.18 0.00 0.00 179.01 178.55 1ptu h GLY 277 N 0.05 0.12 0.17 1.92 0.00 -0.87 -1.67 103.07 102.79 1ptu h GLY 277 Ca 0.45 0.22 0.23 0.00 0.00 0.00 0.00 47.33 48.24 1ptu h GLY 277 CO -0.80 -0.19 0.63 0.00 0.00 0.00 0.00 176.54 176.19 1ptu h ALA 278 N 1.18 2.40 -0.90 3.60 0.00 -0.98 0.15 119.26 124.70 1ptu h ALA 278 Ca 0.19 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.34 1ptu h ALA 278 Cb 0.40 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 1ptu h ALA 278 CO -0.45 -0.71 0.39 0.87 0.00 0.00 0.00 179.25 179.35 1ptu h LYS 279 N 0.29 0.36 -0.03 0.00 1.57 -1.33 1.43 116.57 118.86 1ptu h LYS 279 Ca 0.49 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.16 1ptu h LYS 279 Cb 1.41 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.64 1ptu h LYS 279 CO -0.15 0.24 -0.30 0.35 -0.57 0.00 0.00 179.45 179.02 1ptu h PHE 280 N 0.37 0.35 -0.25 -1.35 3.04 -0.85 0.24 116.94 118.50 1ptu h PHE 280 Ca 0.57 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 62.33 1ptu h PHE 280 Cb 1.10 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1ptu h PHE 280 CO -0.14 0.94 0.09 0.82 -2.02 0.00 0.00 178.31 177.99 1ptu h ILE 281 N -0.33 1.19 0.00 1.41 5.03 -0.80 -1.63 117.51 122.38 1ptu h ILE 281 Ca -0.03 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 1ptu h ILE 281 Cb 1.00 1.10 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 1ptu h ILE 281 CO 0.06 0.19 0.00 0.23 -0.68 0.00 0.00 178.15 177.95 1ptu n MET 282 N -4.76 0.10 0.00 2.37 2.81 0.48 -4.83 117.12 113.28 1ptu n MET 282 Ca -0.03 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1ptu n MET 282 Cb 0.15 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1ptu n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ptu n GLY 283 N -1.14 4.63 3.70 3.03 0.00 -0.61 -5.06 105.19 109.73 1ptu n GLY 283 Ca -0.00 -0.75 -0.55 0.00 0.00 0.00 0.00 46.02 44.72 1ptu n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ptu n ASP 284 N 0.00 2.63 -0.01 1.61 -0.08 0.06 -4.90 116.55 115.87 1ptu n ASP 284 Ca 0.00 1.04 -0.00 0.00 -1.51 0.00 0.00 54.79 54.32 1ptu n ASP 284 Cb 0.00 -1.19 -0.00 0.00 2.34 0.00 0.00 41.12 42.27 1ptu n ASP 284 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ptu h SER 285 N 7.78 0.00 -0.25 1.67 0.02 -1.86 -3.37 113.55 117.55 1ptu h SER 285 Ca -0.47 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1ptu h SER 285 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 1ptu h SER 285 CO 0.96 0.10 -0.08 -1.54 -1.14 0.00 0.00 176.83 175.13 1ptu n SER 286 N -2.56 -0.13 -0.30 3.07 3.41 -1.26 -1.32 113.62 114.54 1ptu n SER 286 Ca -0.00 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1ptu n SER 286 Cb 0.01 -0.11 0.24 0.00 -0.26 0.00 0.00 64.21 64.09 1ptu n SER 286 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ptu n VAL 287 N -4.38 -0.36 0.20 -3.33 3.14 -1.26 -0.57 118.33 111.77 1ptu n VAL 287 Ca 0.03 1.89 -0.15 0.00 -2.96 0.00 0.00 64.34 63.16 1ptu n VAL 287 Cb 0.11 -2.76 -0.07 0.00 -1.06 0.00 0.00 33.84 30.06 1ptu n VAL 287 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1ptu h GLN 288 N 0.00 -0.55 -0.60 1.45 4.15 -1.46 0.17 115.11 118.27 1ptu h GLN 288 Ca 0.51 0.04 0.07 0.00 0.77 0.00 0.00 58.65 60.04 1ptu h GLN 288 Cb 1.04 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 1ptu h GLN 288 CO -0.81 -0.37 0.40 -0.44 -1.93 0.00 0.00 178.83 175.68 1ptu h ASP 289 N -0.57 0.48 -0.29 -0.69 3.32 -1.01 0.23 116.42 117.89 1ptu h ASP 289 Ca -0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1ptu h ASP 289 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ptu h ASP 289 CO -0.02 0.31 -0.24 1.56 -1.72 0.00 0.00 179.24 179.13 1ptu h GLN 290 N 0.54 0.68 -0.46 3.56 4.20 -0.34 -2.55 115.11 120.73 1ptu h GLN 290 Ca 0.27 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1ptu h GLN 290 Cb 0.35 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1ptu h GLN 290 CO -0.08 0.95 0.25 -1.49 -0.67 0.00 0.00 178.83 177.79 1ptu h TRP 291 N 0.42 0.46 -0.59 2.96 6.55 0.13 0.17 115.95 126.06 1ptu h TRP 291 Ca 0.05 0.02 0.09 0.00 0.95 0.00 0.00 58.89 60.00 1ptu h TRP 291 Cb 0.80 -0.14 -0.07 0.00 -0.86 0.00 0.00 29.16 28.89 1ptu h TRP 291 CO 0.07 0.25 0.20 -0.22 -1.05 0.00 0.00 178.44 177.69 1ptu h LYS 292 N 0.49 0.37 0.53 0.49 3.64 -1.00 0.52 116.57 121.61 1ptu h LYS 292 Ca 0.19 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1ptu h LYS 292 Cb 0.07 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ptu h LYS 292 CO -0.12 0.24 -0.26 0.93 -2.27 0.00 0.00 179.45 177.98 1ptu h GLU 293 N 0.38 -0.69 -0.97 1.90 4.39 -0.92 -2.98 114.58 115.69 1ptu h GLU 293 Ca 0.30 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.21 1ptu h GLU 293 Cb 0.37 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 1ptu h GLU 293 CO -0.31 -0.42 0.61 -0.07 -1.16 0.00 0.00 179.01 177.66 1ptu h LEU 294 N -0.80 0.72 0.00 1.33 3.38 -0.14 0.19 115.31 119.99 1ptu h LEU 294 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ptu h LEU 294 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ptu h LEU 294 CO 0.12 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 1ptu n SER 295 N -4.65 0.00 -4.30 -0.43 3.41 0.18 -4.78 113.62 103.05 1ptu n SER 295 Ca 0.21 0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.65 1ptu n SER 295 Cb 0.53 -0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1ptu n SER 295 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ptu n HIS 296 N -1.30 -1.28 0.22 7.33 8.25 0.05 -4.72 115.22 123.77 1ptu n HIS 296 Ca 0.06 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1ptu n HIS 296 Cb 0.10 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1ptu n HIS 296 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1ptu n GLU 297 N -4.59 0.44 0.00 -0.41 0.28 -1.26 -4.64 120.64 110.46 1ptu n GLU 297 Ca -0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 1ptu n GLU 297 Cb 0.70 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.29 1ptu n GLU 297 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72