#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtu h GLN 3 N 0.00 1.23 0.73 1.64 7.50 -1.98 0.53 115.11 124.76 1jtu h GLN 3 Ca 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 1jtu h GLN 3 Cb 0.00 -0.28 0.01 0.00 0.05 0.00 0.00 27.48 27.26 1jtu h GLN 3 CO 0.00 0.81 -0.35 -0.92 -1.50 0.00 0.00 178.83 176.87 1jtu h TYR 4 N 1.27 -0.91 -0.78 2.96 3.20 -2.00 -1.96 116.97 118.75 1jtu h TYR 4 Ca 0.39 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.30 1jtu h TYR 4 Cb -0.01 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1jtu h TYR 4 CO -0.00 -0.54 0.47 -0.07 -1.64 0.00 0.00 178.16 176.38 1jtu h LEU 5 N -1.13 0.74 -1.76 2.82 3.38 -1.97 -0.91 115.31 116.47 1jtu h LEU 5 Ca -0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jtu h LEU 5 Cb 0.78 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1jtu h LEU 5 CO 0.16 0.47 0.16 -0.33 0.09 0.00 0.00 178.44 179.00 1jtu h GLU 6 N 0.87 0.32 -0.07 1.13 5.08 -0.82 -1.81 114.58 119.28 1jtu h GLU 6 Ca 0.34 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 1jtu h GLU 6 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jtu h GLU 6 CO -0.17 0.21 -0.09 1.25 -1.00 0.00 0.00 179.01 179.22 1jtu h LEU 7 N 0.33 0.20 -0.08 1.33 6.46 -0.40 -2.28 115.31 120.87 1jtu h LEU 7 Ca 0.09 -0.51 0.04 0.00 -0.12 0.00 0.00 57.88 57.38 1jtu h LEU 7 Cb -0.04 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 1jtu h LEU 7 CO -0.02 0.67 -0.43 0.24 -0.62 0.00 0.00 178.44 178.28 1jtu h MET 8 N -0.26 -0.51 -0.18 1.25 2.86 -0.71 0.11 114.93 117.49 1jtu h MET 8 Ca 0.01 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1jtu h MET 8 Cb 0.61 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1jtu h MET 8 CO 0.02 -0.34 0.18 0.37 1.06 0.00 0.00 176.91 178.20 1jtu h GLN 9 N -0.53 0.00 -0.22 1.72 5.75 -1.39 -0.11 115.11 120.33 1jtu h GLN 9 Ca 0.06 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.39 1jtu h GLN 9 Cb 0.64 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.19 1jtu h GLN 9 CO -0.37 0.00 -0.57 -0.22 -2.65 0.00 0.00 178.83 175.02 1jtu h LYS 10 N 0.00 0.69 -0.21 1.69 3.11 -0.22 -1.21 116.57 120.42 1jtu h LYS 10 Ca 0.09 -0.45 -0.04 0.00 -2.81 0.00 0.00 60.65 57.44 1jtu h LYS 10 Cb 0.44 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1jtu h LYS 10 CO -0.00 1.07 -0.03 0.28 -2.81 0.00 0.00 179.45 177.95 1jtu h VAL 11 N 0.52 1.28 -0.30 2.00 2.07 0.19 -0.26 116.25 121.75 1jtu h VAL 11 Ca 0.00 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1jtu h VAL 11 Cb 1.15 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1jtu h VAL 11 CO 0.12 0.30 0.04 -0.07 0.02 0.00 0.00 177.57 177.98 1jtu h LEU 12 N 0.13 0.40 0.02 2.57 3.38 -1.35 0.99 115.31 121.45 1jtu h LEU 12 Ca 0.06 -0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1jtu h LEU 12 Cb 0.47 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jtu h LEU 12 CO 0.02 0.43 -1.40 0.44 0.09 0.00 0.00 178.44 178.01 1jtu h ASP 13 N 0.43 0.08 0.00 -0.43 3.32 -1.04 -3.39 116.42 115.39 1jtu h ASP 13 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jtu h ASP 13 Cb 0.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1jtu h ASP 13 CO 0.00 1.10 0.00 -0.62 -1.72 0.00 0.00 179.24 178.00 1jtu n GLU 14 N -3.25 4.02 -1.72 3.56 1.02 -0.13 -5.07 120.64 119.07 1jtu n GLU 14 Ca -0.10 -0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.51 1jtu n GLU 14 Cb 1.01 -0.62 0.07 0.00 -0.02 0.00 0.00 31.44 31.87 1jtu n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jtu n GLY 15 N 0.62 0.53 3.52 0.62 0.00 0.34 -4.88 105.19 105.95 1jtu n GLY 15 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1jtu n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jtu s THR 16 N -1.38 2.89 0.03 2.61 -1.32 -0.61 -4.78 115.64 113.08 1jtu s THR 16 Ca 0.82 -1.89 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1jtu s THR 16 Cb -0.38 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 1jtu s THR 16 CO 0.41 -0.18 0.91 -1.10 -2.21 0.00 0.00 174.62 172.45 1jtu s GLN 17 N -2.96 4.58 0.01 7.08 -0.21 -1.26 -0.13 119.66 126.77 1jtu s GLN 17 Ca 0.25 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.95 1jtu s GLN 17 Cb -0.08 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.50 1jtu s GLN 17 CO 0.14 0.09 -0.02 0.15 -2.12 0.00 0.00 175.29 173.53 1jtu s LYS 18 N 0.53 0.21 0.58 2.91 1.02 -0.61 -4.95 119.74 119.43 1jtu s LYS 18 Ca 0.47 -0.28 -0.06 0.00 0.02 0.00 0.00 55.97 56.12 1jtu s LYS 18 Cb -0.21 -0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1jtu s LYS 18 CO 0.27 0.01 0.89 -0.80 -0.92 0.00 0.00 175.35 174.79 1jtu s ASN 19 N -0.59 5.63 0.26 2.83 0.01 -1.26 0.18 114.94 122.00 1jtu s ASN 19 Ca -0.05 0.70 -0.09 0.00 -0.71 0.00 0.00 52.86 52.71 1jtu s ASN 19 Cb -0.04 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 1jtu s ASN 19 CO -0.00 -1.03 0.43 1.51 -1.51 0.00 0.00 177.10 176.51 1jtu s ASP 20 N -4.29 0.13 0.33 -1.22 -4.77 -1.26 -4.82 116.67 100.77 1jtu s ASP 20 Ca 0.53 -1.10 0.11 0.00 -3.30 0.00 0.00 52.55 48.79 1jtu s ASP 20 Cb -0.10 0.58 1.02 0.00 -1.09 0.00 0.00 42.92 43.33 1jtu s ASP 20 CO 0.45 -1.14 1.61 -0.09 0.70 0.00 0.00 175.17 176.70 1jtu h ARG 21 N 2.28 0.10 -0.03 2.11 2.43 -1.99 0.34 114.38 119.62 1jtu h ARG 21 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1jtu h ARG 21 Cb 1.25 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1jtu h ARG 21 CO 0.39 0.07 0.00 0.25 -1.51 0.00 0.00 179.97 179.16 1jtu n THR 22 N -5.27 0.04 -1.84 0.20 -2.24 -1.26 -4.89 114.28 99.02 1jtu n THR 22 Ca 0.30 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.78 1jtu n THR 22 Cb 0.98 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1jtu n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtu n GLY 23 N 0.96 1.15 0.09 3.38 0.00 0.12 -4.86 105.19 106.04 1jtu n GLY 23 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1jtu n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jtu n THR 24 N -2.82 1.08 0.00 2.61 -1.04 -1.26 -4.94 114.28 107.91 1jtu n THR 24 Ca -0.21 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 1jtu n THR 24 Cb 0.66 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1jtu n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jtu n GLY 25 N 1.39 -2.85 3.26 3.41 0.00 -1.26 -4.31 105.19 104.83 1jtu n GLY 25 Ca -0.10 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 1jtu n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jtu s THR 26 N -1.60 0.00 -0.22 2.61 -4.23 0.13 -1.26 115.64 111.07 1jtu s THR 26 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1jtu s THR 26 Cb 0.00 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1jtu s THR 26 CO 0.00 0.00 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.72 1jtu s LEU 27 N -3.23 2.72 -0.00 4.79 0.20 -0.16 -1.57 118.68 121.44 1jtu s LEU 27 Ca 0.38 -0.86 0.05 0.00 0.69 0.00 0.00 54.13 54.39 1jtu s LEU 27 Cb 0.05 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 1jtu s LEU 27 CO 0.17 -0.07 -0.17 -0.55 -0.29 0.00 0.00 176.35 175.44 1jtu s SER 28 N 1.26 2.01 0.14 3.68 0.15 0.82 -2.01 113.70 119.75 1jtu s SER 28 Ca 0.01 -0.35 0.10 0.00 0.70 0.00 0.00 55.95 56.41 1jtu s SER 28 Cb -0.16 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1jtu s SER 28 CO -0.09 0.18 -0.23 0.27 1.20 0.00 0.00 173.24 174.58 1jtu s ILE 29 N -0.49 2.06 -0.18 6.45 -4.36 -0.46 -1.57 121.20 122.65 1jtu s ILE 29 Ca 0.06 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1jtu s ILE 29 Cb -0.07 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1jtu s ILE 29 CO -0.00 -0.08 -0.19 0.12 0.24 0.00 0.00 174.94 175.03 1jtu s PHE 30 N -1.42 2.77 0.00 1.37 5.36 -1.26 -1.33 117.98 123.47 1jtu s PHE 30 Ca 0.14 -1.67 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 1jtu s PHE 30 Cb -0.09 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1jtu s PHE 30 CO 0.07 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.43 1jtu n GLY 31 N 4.62 -1.84 3.47 13.12 0.00 -0.54 -5.02 105.19 118.99 1jtu n GLY 31 Ca -0.20 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1jtu n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jtu s HIS 32 N 0.00 -0.55 -0.11 1.61 5.04 -1.05 -4.97 115.29 115.26 1jtu s HIS 32 Ca 0.00 0.60 -0.10 0.00 -1.54 0.00 0.00 55.06 54.02 1jtu s HIS 32 Cb 0.00 0.50 0.03 0.00 0.04 0.00 0.00 32.58 33.15 1jtu s HIS 32 CO 0.00 -0.71 0.30 -1.14 -2.34 0.00 0.00 174.74 170.85 1jtu s GLN 33 N -2.69 0.33 0.00 2.88 0.74 -1.26 -0.83 119.66 118.84 1jtu s GLN 33 Ca -0.03 0.44 -0.07 0.00 0.05 0.00 0.00 55.36 55.76 1jtu s GLN 33 Cb -0.01 0.13 -0.00 0.00 1.10 0.00 0.00 33.01 34.24 1jtu s GLN 33 CO -0.04 -0.06 0.12 0.00 -0.55 0.00 0.00 175.29 174.76 1jtu s MET 34 N 0.31 0.46 0.08 1.67 0.23 -0.55 -5.01 119.30 116.48 1jtu s MET 34 Ca -0.01 -0.39 0.08 0.00 -1.03 0.00 0.00 55.69 54.34 1jtu s MET 34 Cb -0.03 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1jtu s MET 34 CO -0.01 -0.11 -0.20 0.50 -2.03 0.00 0.00 175.02 173.18 1jtu s ARG 35 N -1.33 1.87 -0.23 3.16 3.52 -1.26 -1.19 118.95 123.48 1jtu s ARG 35 Ca -0.14 -1.10 -0.01 0.00 -0.13 0.00 0.00 55.73 54.34 1jtu s ARG 35 Cb -0.08 -2.11 0.07 0.00 -1.56 0.00 0.00 34.95 31.27 1jtu s ARG 35 CO 0.01 0.51 0.02 -0.06 -0.81 0.00 0.00 175.30 174.97 1jtu s PHE 36 N -1.00 1.62 -0.56 5.12 0.08 -0.73 -4.99 117.98 117.52 1jtu s PHE 36 Ca 0.15 -1.33 -0.28 0.00 0.12 0.00 0.00 56.93 55.59 1jtu s PHE 36 Cb -0.10 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1jtu s PHE 36 CO 0.07 -0.72 1.43 1.21 -0.10 0.00 0.00 175.22 177.11 1jtu s ASN 37 N 1.66 6.10 0.55 1.36 3.04 -1.26 -1.42 114.94 124.96 1jtu s ASN 37 Ca -0.00 0.30 0.29 0.00 0.04 0.00 0.00 52.86 53.48 1jtu s ASN 37 Cb -0.18 -2.55 1.57 0.00 -1.54 0.00 0.00 41.25 38.56 1jtu s ASN 37 CO -0.11 -1.73 1.87 -0.07 -3.04 0.00 0.00 177.10 174.02 1jtu h LEU 38 N 13.20 0.00 0.00 3.21 3.38 -1.43 -0.68 115.31 132.98 1jtu h LEU 38 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jtu h LEU 38 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jtu h LEU 38 CO 1.18 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 181.26 1jtu h GLN 39 N 0.00 0.00 0.00 1.13 4.20 -1.82 -2.86 115.11 115.75 1jtu h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jtu h GLN 39 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1jtu h GLN 39 CO 0.00 0.00 0.00 -0.44 -0.67 0.00 0.00 178.83 177.72 1jtu h ASP 40 N 0.00 0.00 -3.90 1.46 3.32 -1.51 -3.48 116.42 112.31 1jtu h ASP 40 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jtu h ASP 40 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1jtu h ASP 40 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1jtu n GLY 41 N 0.33 3.61 3.68 2.75 0.00 -1.08 -4.87 105.19 109.61 1jtu n GLY 41 Ca 0.03 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1jtu n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jtu s PHE 42 N -2.00 2.84 -1.19 1.61 5.36 -0.24 -4.63 117.98 119.73 1jtu s PHE 42 Ca 0.00 0.87 -0.18 0.00 -0.96 0.00 0.00 56.93 56.66 1jtu s PHE 42 Cb 0.00 -3.62 -0.03 0.00 -0.34 0.00 0.00 43.02 39.03 1jtu s PHE 42 CO 0.00 -2.25 2.06 -0.35 -1.46 0.00 0.00 175.22 173.22 1jtu n PRO 43 N 5.65 2.33 -3.85 10.12 -0.04 -1.26 -3.96 135.00 143.99 1jtu n PRO 43 Ca 0.13 -2.39 -0.36 0.00 -0.04 0.00 0.00 63.50 60.84 1jtu n PRO 43 Cb 0.44 -3.20 -0.13 0.00 -0.04 0.00 0.00 33.50 30.56 1jtu n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jtu s LEU 44 N 2.55 3.81 0.23 1.53 2.96 -1.26 -4.13 118.68 124.37 1jtu s LEU 44 Ca 0.53 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1jtu s LEU 44 Cb 0.12 -1.77 -0.16 0.00 0.50 0.00 0.00 46.19 44.88 1jtu s LEU 44 CO 0.01 -0.23 0.80 1.33 -1.32 0.00 0.00 176.35 176.94 1jtu n VAL 45 N 4.73 1.86 0.10 1.68 0.24 -1.26 -4.79 118.33 120.89 1jtu n VAL 45 Ca -0.14 -0.46 0.04 0.00 -2.04 0.00 0.00 64.34 61.73 1jtu n VAL 45 Cb 0.46 -0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 32.27 1jtu n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1jtu n THR 46 N 0.25 0.00 0.81 3.34 -2.24 -1.26 -4.54 114.28 110.63 1jtu n THR 46 Ca 0.14 -0.22 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1jtu n THR 46 Cb 0.27 0.52 0.24 0.00 -2.10 0.00 0.00 70.33 69.26 1jtu n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jtu n THR 47 N -1.60 0.00 -3.64 4.28 -2.24 -1.26 -0.66 114.28 109.16 1jtu n THR 47 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1jtu n THR 47 Cb 0.18 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 1jtu n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jtu s LYS 48 N -2.00 0.33 0.33 -0.78 -2.85 -1.26 -4.65 119.74 108.87 1jtu s LYS 48 Ca 0.12 0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 55.18 1jtu s LYS 48 Cb 0.05 0.16 -0.10 0.00 -2.06 0.00 0.00 37.83 35.88 1jtu s LYS 48 CO 0.09 -0.04 1.36 0.50 0.10 0.00 0.00 175.35 177.36 1jtu s ARG 49 N 0.09 4.29 0.09 1.78 3.52 -1.17 -4.79 118.95 122.77 1jtu s ARG 49 Ca 0.05 2.30 0.09 0.00 -0.13 0.00 0.00 55.73 58.03 1jtu s ARG 49 Cb -0.05 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1jtu s ARG 49 CO -0.10 -0.28 -0.19 0.00 -0.81 0.00 0.00 175.30 173.92 1jtu s HIS 51 N -1.07 2.98 0.14 0.00 2.46 -1.26 -4.91 115.29 113.62 1jtu s HIS 51 Ca 0.17 -1.02 -0.21 0.00 0.47 0.00 0.00 55.06 54.46 1jtu s HIS 51 Cb -0.10 -4.17 -0.00 0.00 -0.13 0.00 0.00 32.58 28.18 1jtu s HIS 51 CO 0.08 -1.44 1.67 -0.07 -2.47 0.00 0.00 174.74 172.51 1jtu h LEU 52 N 10.39 -0.41 -0.97 8.88 -0.00 -2.00 -2.79 115.31 128.41 1jtu h LEU 52 Ca -0.14 0.09 0.26 0.00 -0.00 0.00 0.00 57.88 58.09 1jtu h LEU 52 Cb 1.06 0.22 -0.18 0.00 -0.00 0.00 0.00 40.66 41.76 1jtu h LEU 52 CO 1.11 -0.17 0.01 -0.09 -0.00 0.00 0.00 178.44 179.30 1jtu h ARG 53 N -0.12 0.02 0.16 1.13 2.43 -2.00 0.58 114.38 116.58 1jtu h ARG 53 Ca 0.11 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1jtu h ARG 53 Cb 0.29 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1jtu h ARG 53 CO -0.27 0.01 -0.08 0.77 -1.51 0.00 0.00 179.97 178.90 1jtu h SER 54 N 0.02 -0.18 -0.47 -3.80 0.02 -1.87 -2.41 113.55 104.87 1jtu h SER 54 Ca 0.57 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 1jtu h SER 54 Cb 1.15 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1jtu h SER 54 CO -0.90 0.14 0.07 0.40 -1.14 0.00 0.00 176.83 175.40 1jtu h ILE 55 N -0.51 0.71 -0.17 3.27 2.04 -0.86 -1.57 117.51 120.42 1jtu h ILE 55 Ca -0.02 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1jtu h ILE 55 Cb 0.39 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1jtu h ILE 55 CO 0.04 0.04 -0.13 0.40 0.00 0.00 0.00 178.15 178.49 1jtu h ILE 56 N 0.20 1.33 -0.17 -0.67 2.04 -1.12 -3.03 117.51 116.09 1jtu h ILE 56 Ca 0.24 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1jtu h ILE 56 Cb 0.32 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1jtu h ILE 56 CO -0.33 0.37 -0.06 0.45 0.00 0.00 0.00 178.15 178.58 1jtu h HIS 57 N 0.05 0.25 -0.45 1.37 3.86 -1.27 -2.42 115.15 116.55 1jtu h HIS 57 Ca 0.03 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1jtu h HIS 57 Cb 0.65 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1jtu h HIS 57 CO 0.08 0.32 0.06 1.49 0.86 0.00 0.00 177.93 180.73 1jtu h GLU 58 N 0.24 0.75 0.13 2.45 4.81 -1.27 -1.60 114.58 120.09 1jtu h GLU 58 Ca 0.05 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1jtu h GLU 58 Cb 0.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jtu h GLU 58 CO 0.01 0.78 -0.06 1.25 -0.73 0.00 0.00 179.01 180.26 1jtu h LEU 59 N 0.61 -0.15 -1.48 1.64 5.85 -1.33 0.30 115.31 120.76 1jtu h LEU 59 Ca 0.13 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1jtu h LEU 59 Cb 0.41 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1jtu h LEU 59 CO 0.01 -0.00 0.45 -0.07 -0.34 0.00 0.00 178.44 178.48 1jtu h LEU 60 N -0.28 0.54 0.18 2.25 4.07 -1.45 0.44 115.31 121.06 1jtu h LEU 60 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1jtu h LEU 60 Cb 0.23 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1jtu h LEU 60 CO 0.03 0.34 -0.09 -0.25 -1.08 0.00 0.00 178.44 177.39 1jtu h TRP 61 N 0.61 -0.22 0.15 1.13 7.01 -0.77 -1.45 115.95 122.41 1jtu h TRP 61 Ca 0.30 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1jtu h TRP 61 Cb 0.38 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1jtu h TRP 61 CO -0.00 -0.11 -0.23 0.74 -2.79 0.00 0.00 178.44 176.05 1jtu h PHE 62 N -0.28 -0.62 -0.39 2.65 0.04 0.42 -2.69 116.94 116.08 1jtu h PHE 62 Ca -0.02 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.87 1jtu h PHE 62 Cb 0.22 0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1jtu h PHE 62 CO -0.05 -0.33 0.32 -0.07 -0.60 0.00 0.00 178.31 177.58 1jtu h LEU 63 N -0.45 0.00 0.00 1.54 3.38 -0.83 0.28 115.31 119.23 1jtu h LEU 63 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jtu h LEU 63 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jtu h LEU 63 CO -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.39 1jtu n GLN 64 N -4.14 0.16 -1.40 1.13 1.13 -0.56 -4.91 117.38 108.79 1jtu n GLN 64 Ca 0.07 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1jtu n GLN 64 Cb 0.51 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1jtu n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jtu n GLY 65 N 1.39 0.44 3.83 1.08 0.00 0.97 -5.05 105.19 107.85 1jtu n GLY 65 Ca 0.06 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1jtu n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtu s ASP 66 N -2.94 6.91 -0.03 1.61 -1.08 -1.14 -4.14 116.67 115.85 1jtu s ASP 66 Ca 0.00 1.20 0.04 0.00 -0.52 0.00 0.00 52.55 53.28 1jtu s ASP 66 Cb 0.00 -2.34 0.06 0.00 -1.46 0.00 0.00 42.92 39.19 1jtu s ASP 66 CO 0.00 0.07 0.89 0.35 0.52 0.00 0.00 175.17 177.00 1jtu n THR 67 N 0.75 0.62 -4.97 1.71 -2.24 -1.26 -4.29 114.28 104.60 1jtu n THR 67 Ca -0.04 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.71 1jtu n THR 67 Cb 0.52 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 69.09 1jtu n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jtu s ASN 68 N -1.13 3.82 0.00 3.42 3.84 -1.26 -1.99 114.94 121.64 1jtu s ASN 68 Ca 0.07 -0.26 0.21 0.00 0.21 0.00 0.00 52.86 53.08 1jtu s ASN 68 Cb 0.06 -0.82 1.24 0.00 -0.55 0.00 0.00 41.25 41.18 1jtu s ASN 68 CO 0.01 0.32 1.70 2.30 -2.79 0.00 0.00 177.10 178.64 1jtu n ILE 69 N 2.45 0.00 0.10 -5.21 -5.35 -0.57 -4.04 119.36 106.74 1jtu n ILE 69 Ca -0.17 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 1jtu n ILE 69 Cb 0.52 -0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 37.89 1jtu n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jtu h ALA 70 N 3.46 -0.91 -0.89 -1.28 0.00 -1.93 0.32 119.26 118.04 1jtu h ALA 70 Ca 0.00 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.06 1jtu h ALA 70 Cb 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 17.79 18.39 1jtu h ALA 70 CO 0.00 -0.99 0.12 -0.92 0.00 0.00 0.00 179.25 177.46 1jtu h TYR 71 N -0.58 0.13 -0.86 0.00 3.20 -2.00 0.41 116.97 117.27 1jtu h TYR 71 Ca -0.01 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1jtu h TYR 71 Cb 0.57 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1jtu h TYR 71 CO -0.38 -0.30 0.41 -0.07 -1.64 0.00 0.00 178.16 176.18 1jtu h LEU 72 N 0.11 1.12 -0.29 2.82 3.38 -1.58 -2.80 115.31 118.07 1jtu h LEU 72 Ca 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 1jtu h LEU 72 Cb 1.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1jtu h LEU 72 CO -0.75 0.94 0.11 0.45 0.09 0.00 0.00 178.44 179.28 1jtu h HIS 73 N 1.22 0.45 -0.23 1.13 3.86 0.18 0.05 115.15 121.82 1jtu h HIS 73 Ca 0.29 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1jtu h HIS 73 Cb 0.12 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1jtu h HIS 73 CO 0.02 0.45 0.33 0.93 0.86 0.00 0.00 177.93 180.51 1jtu h GLU 74 N 0.32 0.00 -0.30 2.45 5.08 -0.85 -0.12 114.58 121.16 1jtu h GLU 74 Ca 0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1jtu h GLU 74 Cb 0.19 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1jtu h GLU 74 CO -0.01 0.00 -0.10 0.09 -1.00 0.00 0.00 179.01 178.00 1jtu n ASN 75 N -3.51 2.60 -3.87 1.42 4.13 -0.80 -4.99 115.26 110.24 1jtu n ASN 75 Ca 0.03 -3.66 -0.30 0.00 1.68 0.00 0.00 54.58 52.33 1jtu n ASN 75 Cb 0.45 -0.61 0.02 0.00 -1.54 0.00 0.00 39.78 38.11 1jtu n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1jtu n ASN 76 N -1.06 -4.74 -4.32 6.41 3.02 -0.06 -4.98 115.26 109.55 1jtu n ASN 76 Ca 0.30 -0.75 -0.34 0.00 -0.03 0.00 0.00 54.58 53.76 1jtu n ASN 76 Cb 0.98 -3.79 -0.14 0.00 -0.61 0.00 0.00 39.78 36.21 1jtu n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jtu s VAL 77 N -3.27 3.08 -0.24 2.41 1.01 -0.06 -4.96 120.40 118.38 1jtu s VAL 77 Ca 0.65 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1jtu s VAL 77 Cb -0.33 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 33.79 1jtu s VAL 77 CO 0.80 0.48 1.07 0.35 0.00 0.00 0.00 175.10 177.80 1jtu n THR 78 N 4.21 1.00 0.29 3.92 -2.24 -1.26 -3.96 114.28 116.24 1jtu n THR 78 Ca -0.18 -1.00 0.18 0.00 -2.27 0.00 0.00 64.05 60.78 1jtu n THR 78 Cb 0.52 0.50 0.95 0.00 -2.10 0.00 0.00 70.33 70.19 1jtu n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1jtu h ILE 79 N 0.51 0.15 -0.29 2.28 3.07 -1.98 -2.34 117.51 118.92 1jtu h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1jtu h ILE 79 Cb 0.56 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 1jtu h ILE 79 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1jtu n TRP 80 N -3.24 0.73 -0.07 0.16 7.02 -1.26 -4.71 117.44 116.07 1jtu n TRP 80 Ca -0.01 -0.72 -0.11 0.00 -1.02 0.00 0.00 57.50 55.64 1jtu n TRP 80 Cb 0.28 -0.19 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 1jtu n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1jtu h ASP 81 N 1.86 0.34 -0.52 -0.99 5.19 -1.77 -3.21 116.42 117.32 1jtu h ASP 81 Ca 0.00 -0.24 0.15 0.00 -0.62 0.00 0.00 57.03 56.32 1jtu h ASP 81 Cb 1.14 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1jtu h ASP 81 CO 0.13 0.49 0.57 -0.33 -3.12 0.00 0.00 179.24 176.98 1jtu h GLU 82 N 0.18 0.00 -0.00 3.56 3.07 -1.84 -2.64 114.58 116.91 1jtu h GLU 82 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1jtu h GLU 82 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1jtu h GLU 82 CO 0.00 0.00 -0.38 0.91 -1.40 0.00 0.00 179.01 178.14 1jtu n TRP 83 N -3.64 0.00 -2.16 4.33 8.01 -1.22 -5.01 117.44 117.75 1jtu n TRP 83 Ca 0.10 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.95 1jtu n TRP 83 Cb 0.77 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.07 1jtu n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jtu s ALA 84 N -1.75 2.71 0.57 6.99 0.00 -1.00 -4.81 121.76 124.48 1jtu s ALA 84 Ca 0.05 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1jtu s ALA 84 Cb 0.08 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.98 1jtu s ALA 84 CO 0.36 -0.76 0.41 -0.40 0.00 0.00 0.00 175.76 175.36 1jtu n ASP 85 N -1.69 0.49 -0.30 0.00 5.68 -0.48 -4.87 116.55 115.38 1jtu n ASP 85 Ca 0.10 -1.43 0.19 0.00 -0.50 0.00 0.00 54.79 53.15 1jtu n ASP 85 Cb 0.52 -0.27 0.46 0.00 -1.14 0.00 0.00 41.12 40.69 1jtu n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jtu h GLU 86 N 0.00 0.48 -0.44 0.11 3.07 -1.97 0.45 114.58 116.29 1jtu h GLU 86 Ca -0.14 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1jtu h GLU 86 Cb 0.48 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1jtu h GLU 86 CO 0.14 0.32 0.00 0.09 -1.40 0.00 0.00 179.01 178.16 1jtu n ASN 87 N -4.62 2.48 0.00 1.42 5.03 -1.26 -4.93 115.26 113.38 1jtu n ASN 87 Ca 0.23 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1jtu n ASN 87 Cb 0.74 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1jtu n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jtu n GLY 88 N 1.25 1.57 3.80 7.41 0.00 0.15 -4.89 105.19 114.47 1jtu n GLY 88 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1jtu n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jtu s ASP 89 N -3.27 6.45 0.00 1.61 1.01 -1.26 -1.51 116.67 119.71 1jtu s ASP 89 Ca 0.00 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.17 1jtu s ASP 89 Cb 0.00 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 1jtu s ASP 89 CO 0.00 -0.70 0.26 0.18 0.21 0.00 0.00 175.17 175.12 1jtu n LEU 90 N -0.86 0.51 0.00 1.23 4.77 -0.84 -1.38 117.00 120.43 1jtu n LEU 90 Ca 0.09 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1jtu n LEU 90 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jtu n LEU 90 CO 0.39 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1jtu n GLY 91 N 0.57 -3.03 2.64 -0.72 0.00 -1.26 -0.96 105.19 102.43 1jtu n GLY 91 Ca 0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1jtu n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jtu n PRO 92 N -0.30 1.33 -0.10 1.61 -0.02 -1.26 -4.84 135.00 131.43 1jtu n PRO 92 Ca 0.00 -1.01 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 1jtu n PRO 92 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1jtu n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jtu n VAL 93 N 4.10 0.00 0.00 -1.45 0.24 -1.26 -4.48 118.33 115.48 1jtu n VAL 93 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 1jtu n VAL 93 Cb 0.15 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 1jtu n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jtu n TYR 94 N -1.66 0.00 -0.26 6.34 4.01 -1.26 -0.74 117.16 123.59 1jtu n TYR 94 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1jtu n TYR 94 Cb 0.00 -0.14 0.19 0.00 -0.31 0.00 0.00 39.34 39.08 1jtu n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jtu h GLY 95 N 0.00 1.15 0.85 2.72 0.00 -1.77 -0.61 103.07 105.41 1jtu h GLY 95 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1jtu h GLY 95 CO 0.00 -0.12 0.02 1.70 0.00 0.00 0.00 176.54 178.14 1jtu h LYS 96 N 0.41 0.39 -0.30 4.80 1.63 -1.09 -2.45 116.57 119.96 1jtu h LYS 96 Ca 0.42 -0.12 -0.10 0.00 -0.85 0.00 0.00 60.65 60.00 1jtu h LYS 96 Cb 0.66 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1jtu h LYS 96 CO -0.43 0.55 -0.24 1.96 -3.45 0.00 0.00 179.45 177.85 1jtu h GLN 97 N 0.18 0.59 -0.65 1.90 1.08 -1.32 0.61 115.11 117.50 1jtu h GLN 97 Ca 0.07 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 56.98 1jtu h GLN 97 Cb 0.36 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1jtu h GLN 97 CO 0.01 0.79 0.19 -1.49 -0.95 0.00 0.00 178.83 177.38 1jtu h TRP 98 N 0.52 1.05 0.00 2.96 4.06 -1.05 -3.28 115.95 120.21 1jtu h TRP 98 Ca 0.07 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1jtu h TRP 98 Cb 0.69 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1jtu h TRP 98 CO 0.03 0.86 -1.65 0.54 -3.56 0.00 0.00 178.44 174.66 1jtu n ARG 99 N -4.34 0.52 -2.97 0.49 5.12 -0.93 -1.42 116.66 113.12 1jtu n ARG 99 Ca 0.04 -0.13 -0.15 0.00 -1.93 0.00 0.00 57.85 55.68 1jtu n ARG 99 Cb 0.22 -1.35 0.01 0.00 -1.16 0.00 0.00 32.46 30.18 1jtu n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jtu n ALA 100 N -2.00 0.56 -2.22 7.54 0.00 0.21 -3.72 120.51 120.89 1jtu n ALA 100 Ca -0.03 -2.42 -0.43 0.00 0.00 0.00 0.00 53.44 50.57 1jtu n ALA 100 Cb 0.38 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1jtu n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jtu s TRP 101 N -0.61 2.37 -0.32 0.00 -0.11 -0.86 -4.63 118.94 114.79 1jtu s TRP 101 Ca 0.32 0.63 -0.29 0.00 1.22 0.00 0.00 56.10 57.99 1jtu s TRP 101 Cb 0.25 -3.81 0.01 0.00 -1.50 0.00 0.00 33.47 28.42 1jtu s TRP 101 CO -0.13 -2.65 1.19 -1.25 -4.62 0.00 0.00 176.95 169.49 1jtu s PRO 102 N 4.08 3.97 0.81 5.86 0.04 -1.26 -1.13 135.00 147.37 1jtu s PRO 102 Ca 0.65 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1jtu s PRO 102 Cb -0.25 -3.82 0.08 0.00 0.04 0.00 0.00 34.50 30.55 1jtu s PRO 102 CO 0.24 -1.05 1.18 0.95 0.04 0.00 0.00 177.00 178.36 1jtu s THR 103 N 4.06 2.01 0.16 1.26 -4.23 -0.57 -4.98 115.64 113.35 1jtu s THR 103 Ca 0.51 -0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1jtu s THR 103 Cb -0.14 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.74 1jtu s THR 103 CO 0.20 -0.00 1.65 -0.65 -0.54 0.00 0.00 174.62 175.28 1jtu h PRO 104 N -1.06 0.89 -1.28 3.99 0.11 -1.96 -3.23 132.00 129.46 1jtu h PRO 104 Ca -0.46 -0.24 -0.10 0.00 0.11 0.00 0.00 66.00 65.31 1jtu h PRO 104 Cb 1.33 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1jtu h PRO 104 CO 0.66 0.86 0.13 -0.40 -0.21 0.00 0.00 178.00 179.04 1jtu n ASP 105 N -4.37 4.01 -0.22 -2.05 5.75 -1.26 -4.82 116.55 113.59 1jtu n ASP 105 Ca 0.02 -2.40 -0.03 0.00 -0.01 0.00 0.00 54.79 52.37 1jtu n ASP 105 Cb 0.26 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.60 1jtu n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jtu n GLY 106 N 0.51 0.59 4.01 6.12 0.00 -1.22 -5.04 105.19 110.16 1jtu n GLY 106 Ca 0.11 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1jtu n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jtu s ARG 107 N -1.49 2.24 -0.08 1.61 0.52 -1.26 -4.93 118.95 115.56 1jtu s ARG 107 Ca 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 53.81 1jtu s ARG 107 Cb 0.00 -2.57 0.04 0.00 0.52 0.00 0.00 34.95 32.95 1jtu s ARG 107 CO 0.00 -0.92 0.18 -1.01 0.02 0.00 0.00 175.30 173.58 1jtu s HIS 108 N -2.75 -0.22 -0.20 -0.53 3.76 -1.26 -1.51 115.29 112.58 1jtu s HIS 108 Ca 0.62 0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 56.07 1jtu s HIS 108 Cb -0.07 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 1jtu s HIS 108 CO 0.39 -0.19 -0.01 0.42 -0.85 0.00 0.00 174.74 174.51 1jtu s ILE 109 N 1.22 3.91 -0.74 0.60 1.01 -0.28 -4.85 121.20 122.07 1jtu s ILE 109 Ca -0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.02 1jtu s ILE 109 Cb -0.11 -2.76 0.10 0.00 0.01 0.00 0.00 42.46 39.69 1jtu s ILE 109 CO -0.07 0.43 0.96 -0.62 0.00 0.00 0.00 174.94 175.65 1jtu s ASP 110 N 0.96 6.33 0.32 3.58 -1.08 -1.24 -2.02 116.67 123.52 1jtu s ASP 110 Ca 0.01 -1.45 0.04 0.00 -0.52 0.00 0.00 52.55 50.64 1jtu s ASP 110 Cb -0.14 -2.39 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 1jtu s ASP 110 CO 0.02 -1.24 1.84 1.56 0.52 0.00 0.00 175.17 177.86 1jtu h GLN 111 N 9.23 0.50 -0.04 4.34 4.20 -1.48 -1.83 115.11 130.02 1jtu h GLN 111 Ca -0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1jtu h GLN 111 Cb 1.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1jtu h GLN 111 CO 1.14 0.58 0.00 0.82 -0.67 0.00 0.00 178.83 180.70 1jtu h ILE 112 N 0.47 1.23 -0.42 2.54 1.08 -1.81 -1.46 117.51 119.13 1jtu h ILE 112 Ca 0.09 -0.70 -0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1jtu h ILE 112 Cb 0.42 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1jtu h ILE 112 CO 0.02 0.19 -0.09 0.71 -0.69 0.00 0.00 178.15 178.29 1jtu h THR 113 N -0.20 1.25 -0.42 -0.27 1.35 -1.85 -2.23 112.91 110.54 1jtu h THR 113 Ca 0.01 -1.11 0.06 0.00 -0.55 0.00 0.00 66.41 64.82 1jtu h THR 113 Cb 0.30 1.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.69 1jtu h THR 113 CO 0.00 0.38 0.12 0.74 -0.25 0.00 0.00 175.52 176.51 1jtu h THR 114 N 0.68 0.83 -0.62 6.82 2.02 -1.20 -1.24 112.91 120.20 1jtu h THR 114 Ca 0.12 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1jtu h THR 114 Cb 0.55 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1jtu h THR 114 CO 0.03 0.05 0.38 0.58 0.37 0.00 0.00 175.52 176.93 1jtu h VAL 115 N 0.27 1.18 -0.40 3.16 2.07 -0.91 -1.04 116.25 120.58 1jtu h VAL 115 Ca 0.20 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1jtu h VAL 115 Cb 0.21 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1jtu h VAL 115 CO -0.23 0.18 0.26 -0.07 0.02 0.00 0.00 177.57 177.74 1jtu h LEU 116 N 0.84 0.45 -1.00 2.57 3.38 -0.84 0.48 115.31 121.19 1jtu h LEU 116 Ca 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1jtu h LEU 116 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1jtu h LEU 116 CO -0.04 0.32 0.45 0.78 0.09 0.00 0.00 178.44 180.04 1jtu h ASN 117 N 0.53 1.03 -0.68 -0.43 -0.26 -0.97 -2.26 115.58 112.54 1jtu h ASN 117 Ca 0.15 -0.09 -0.07 0.00 -0.56 0.00 0.00 56.30 55.73 1jtu h ASN 117 Cb -0.05 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 1jtu h ASN 117 CO -0.04 0.83 0.14 1.56 -1.06 0.00 0.00 177.43 178.87 1jtu h GLN 118 N 1.16 1.11 0.00 0.81 4.20 -0.52 -1.08 115.11 120.78 1jtu h GLN 118 Ca 0.29 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1jtu h GLN 118 Cb 0.03 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1jtu h GLN 118 CO -0.05 1.00 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.94 1jtu h LEU 119 N 1.04 0.00 0.02 1.46 3.38 -0.43 0.15 115.31 120.93 1jtu h LEU 119 Ca 0.21 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.85 1jtu h LEU 119 Cb 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1jtu h LEU 119 CO 0.01 0.10 -1.95 0.29 0.09 0.00 0.00 178.44 176.98 1jtu n LYS 120 N -3.27 0.67 -0.00 1.13 5.02 -0.90 -4.23 118.16 116.59 1jtu n LYS 120 Ca 0.00 0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 1jtu n LYS 120 Cb 0.34 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1jtu n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtu n ASN 121 N -3.07 1.68 -2.87 4.39 3.02 -0.43 -4.82 115.26 113.16 1jtu n ASN 121 Ca -0.25 -0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 53.82 1jtu n ASN 121 Cb 1.07 1.17 0.05 0.00 -0.61 0.00 0.00 39.78 41.46 1jtu n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jtu n ASP 122 N -1.46 -1.19 0.03 6.41 2.03 0.48 -4.98 116.55 117.88 1jtu n ASP 122 Ca 0.00 -3.37 0.05 0.00 0.52 0.00 0.00 54.79 51.99 1jtu n ASP 122 Cb 0.16 0.99 0.23 0.00 -0.72 0.00 0.00 41.12 41.78 1jtu n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jtu n PRO 123 N 0.26 0.04 0.00 -0.67 -0.04 -0.86 -1.47 135.00 132.25 1jtu n PRO 123 Ca 0.11 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1jtu n PRO 123 Cb 0.70 -1.60 0.31 0.00 -0.04 0.00 0.00 33.50 32.87 1jtu n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jtu n ASP 124 N -1.67 1.35 -4.75 3.54 8.00 -1.26 -4.02 116.55 117.74 1jtu n ASP 124 Ca 0.01 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1jtu n ASP 124 Cb 0.09 0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1jtu n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jtu n SER 125 N -0.35 3.51 -1.87 -2.24 2.88 -0.54 -4.88 113.62 110.13 1jtu n SER 125 Ca 0.12 1.22 0.01 0.00 -1.33 0.00 0.00 58.87 58.90 1jtu n SER 125 Cb 0.38 -1.58 0.34 0.00 -0.75 0.00 0.00 64.21 62.60 1jtu n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jtu n ARG 126 N 0.52 4.17 -0.11 -1.46 1.74 -1.26 -4.22 116.66 116.03 1jtu n ARG 126 Ca 0.02 -2.91 0.06 0.00 -0.77 0.00 0.00 57.85 54.25 1jtu n ARG 126 Cb 0.38 -2.20 0.08 0.00 -1.02 0.00 0.00 32.46 29.70 1jtu n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jtu n ARG 127 N 0.27 1.45 -2.41 5.56 1.74 -1.26 -4.96 116.66 117.05 1jtu n ARG 127 Ca 0.32 -1.98 -0.37 0.00 -0.77 0.00 0.00 57.85 55.04 1jtu n ARG 127 Cb 1.22 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 31.45 1jtu n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jtu s ILE 128 N -1.87 3.81 0.07 0.55 1.01 -1.26 -4.92 121.20 118.59 1jtu s ILE 128 Ca 0.18 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1jtu s ILE 128 Cb 0.16 -4.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1jtu s ILE 128 CO 0.02 -1.66 -0.17 -0.63 0.00 0.00 0.00 174.94 172.50 1jtu s ILE 129 N 6.42 1.32 -0.08 2.92 1.01 -1.26 -1.46 121.20 130.07 1jtu s ILE 129 Ca 0.54 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1jtu s ILE 129 Cb -0.01 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.26 1jtu s ILE 129 CO -0.04 -0.07 -0.11 -0.69 0.00 0.00 0.00 174.94 174.03 1jtu s VAL 130 N -1.07 1.12 -0.06 2.92 1.01 -0.64 -4.91 120.40 118.77 1jtu s VAL 130 Ca 0.02 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1jtu s VAL 130 Cb -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1jtu s VAL 130 CO 0.02 0.36 -0.17 -0.55 0.00 0.00 0.00 175.10 174.77 1jtu s SER 131 N 1.03 2.22 0.00 3.32 0.15 -1.26 -1.64 113.70 117.52 1jtu s SER 131 Ca -0.08 -0.38 0.21 0.00 0.70 0.00 0.00 55.95 56.41 1jtu s SER 131 Cb -0.15 -0.86 -0.21 0.00 -1.71 0.00 0.00 66.02 63.09 1jtu s SER 131 CO -0.01 0.11 0.91 0.00 1.20 0.00 0.00 173.24 175.46 1jtu n ALA 132 N 3.48 4.72 -1.85 5.45 0.00 -0.09 -4.70 120.51 127.51 1jtu n ALA 132 Ca -0.20 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1jtu n ALA 132 Cb 0.52 -0.78 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 1jtu n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jtu n TRP 133 N -1.47 3.64 -2.90 0.00 -0.00 -1.21 -4.86 117.44 110.64 1jtu n TRP 133 Ca 0.04 -2.87 -0.43 0.00 -0.00 0.00 0.00 57.50 54.24 1jtu n TRP 133 Cb 0.33 -2.53 -0.03 0.00 -0.00 0.00 0.00 31.31 29.08 1jtu n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1jtu s ASN 134 N 3.53 6.40 0.31 5.87 3.04 -1.26 -4.90 114.94 127.93 1jtu s ASN 134 Ca 0.49 -1.53 0.08 0.00 0.04 0.00 0.00 52.86 51.94 1jtu s ASN 134 Cb 0.12 -2.41 0.86 0.00 -1.54 0.00 0.00 41.25 38.29 1jtu s ASN 134 CO -0.04 -1.25 1.68 0.58 -3.04 0.00 0.00 177.10 175.03 1jtu h VAL 135 N 5.93 0.41 -0.45 -5.21 2.07 -2.01 -0.94 116.25 116.04 1jtu h VAL 135 Ca -0.07 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jtu h VAL 135 Cb 1.05 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jtu h VAL 135 CO 1.15 0.07 0.28 1.23 0.02 0.00 0.00 177.57 180.32 1jtu h GLY 136 N 0.38 0.65 -1.86 2.17 0.00 -2.00 -3.07 103.07 99.34 1jtu h GLY 136 Ca 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1jtu h GLY 136 CO -0.56 0.25 0.00 1.18 0.00 0.00 0.00 176.54 177.40 1jtu n GLU 137 N -4.45 2.70 -0.22 4.80 1.02 -0.40 -4.62 120.64 119.47 1jtu n GLU 137 Ca 0.04 -2.26 0.12 0.00 -0.02 0.00 0.00 57.16 55.04 1jtu n GLU 137 Cb 0.07 -1.39 0.41 0.00 -0.02 0.00 0.00 31.44 30.51 1jtu n GLU 137 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jtu h LEU 138 N 3.03 0.57 0.00 -4.62 5.85 -1.36 -1.57 115.31 117.21 1jtu h LEU 138 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jtu h LEU 138 Cb 0.83 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1jtu h LEU 138 CO 0.00 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 177.50 1jtu n ASP 139 N -4.52 0.00 -0.84 1.25 5.75 -1.26 -2.63 116.55 114.29 1jtu n ASP 139 Ca 0.15 -0.40 0.09 0.00 -0.01 0.00 0.00 54.79 54.63 1jtu n ASP 139 Cb 0.45 -0.19 0.14 0.00 -1.03 0.00 0.00 41.12 40.50 1jtu n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jtu n LYS 140 N -1.19 2.01 -3.66 0.11 5.02 -0.59 -4.96 118.16 114.91 1jtu n LYS 140 Ca 0.17 -1.90 -0.37 0.00 -2.02 0.00 0.00 58.31 54.19 1jtu n LYS 140 Cb 0.19 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1jtu n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jtu s MET 141 N -1.29 3.96 0.61 1.97 -1.94 -1.08 -4.03 119.30 117.50 1jtu s MET 141 Ca 0.27 0.04 0.40 0.00 -1.71 0.00 0.00 55.69 54.69 1jtu s MET 141 Cb 0.17 -3.32 2.01 0.00 2.01 0.00 0.00 34.83 35.70 1jtu s MET 141 CO 0.23 0.48 2.21 0.00 -0.01 0.00 0.00 175.02 177.93 1jtu h ALA 142 N 5.84 1.00 -1.81 3.03 0.00 -1.38 -3.41 119.26 122.54 1jtu h ALA 142 Ca -0.47 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1jtu h ALA 142 Cb 1.19 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1jtu h ALA 142 CO 0.68 0.00 0.10 -1.17 0.00 0.00 0.00 179.25 178.87 1jtu s LEU 143 N -6.07 -0.84 0.46 0.00 2.96 -1.26 -5.04 118.68 108.90 1jtu s LEU 143 Ca -0.03 1.29 -0.24 0.00 -0.22 0.00 0.00 54.13 54.93 1jtu s LEU 143 Cb 0.11 2.16 -0.07 0.00 0.50 0.00 0.00 46.19 48.89 1jtu s LEU 143 CO 0.45 -0.20 1.36 0.00 -1.32 0.00 0.00 176.35 176.63 1jtu s ALA 144 N 1.82 3.12 0.35 5.97 0.00 -1.26 -4.91 121.76 126.85 1jtu s ALA 144 Ca -0.09 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 1jtu s ALA 144 Cb -0.06 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 1jtu s ALA 144 CO -0.18 -1.09 1.24 -2.30 0.00 0.00 0.00 175.76 173.43 1jtu n PRO 145 N -0.33 1.99 -0.11 0.00 -0.02 -1.26 -4.94 135.00 130.33 1jtu n PRO 145 Ca 0.06 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 62.04 1jtu n PRO 145 Cb 0.44 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 1jtu n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jtu s HIS 147 N -2.51 2.91 -0.11 0.00 0.00 -1.26 -0.96 115.29 113.36 1jtu s HIS 147 Ca -0.31 -0.95 0.20 0.00 -3.00 0.00 0.00 55.06 50.99 1jtu s HIS 147 Cb 0.09 -4.24 -0.25 0.00 -4.00 0.00 0.00 32.58 24.18 1jtu s HIS 147 CO 0.47 -1.52 0.46 0.00 -1.00 0.00 0.00 174.74 173.15 1jtu n ALA 148 N 6.99 2.22 -3.37 -1.38 0.00 -1.09 -4.83 120.51 119.06 1jtu n ALA 148 Ca 0.06 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.62 1jtu n ALA 148 Cb 0.46 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 1jtu n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jtu s PHE 149 N -3.08 -0.35 -0.01 0.00 5.36 -1.18 -0.92 117.98 117.80 1jtu s PHE 149 Ca -0.07 0.84 -0.12 0.00 -0.96 0.00 0.00 56.93 56.62 1jtu s PHE 149 Cb 0.10 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.91 1jtu s PHE 149 CO 0.86 -0.19 0.25 -0.59 -1.46 0.00 0.00 175.22 174.08 1jtu s PHE 150 N 0.56 -0.11 -0.01 10.12 -0.71 -0.65 -0.39 117.98 126.79 1jtu s PHE 150 Ca -0.03 0.16 0.04 0.00 -1.04 0.00 0.00 56.93 56.05 1jtu s PHE 150 Cb -0.05 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1jtu s PHE 150 CO -0.03 -0.34 -0.13 -1.14 -1.34 0.00 0.00 175.22 172.24 1jtu s GLN 151 N -1.24 1.11 0.26 1.99 0.74 0.22 -1.62 119.66 121.13 1jtu s GLN 151 Ca -0.13 -0.47 0.05 0.00 0.05 0.00 0.00 55.36 54.86 1jtu s GLN 151 Cb -0.06 -1.06 -0.03 0.00 1.10 0.00 0.00 33.01 32.96 1jtu s GLN 151 CO 0.03 0.27 0.38 -0.06 -0.55 0.00 0.00 175.29 175.36 1jtu s PHE 152 N -0.25 3.36 -0.02 1.67 0.40 -0.54 -0.58 117.98 122.03 1jtu s PHE 152 Ca 0.04 -0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.08 1jtu s PHE 152 Cb -0.06 -1.66 0.05 0.00 0.51 0.00 0.00 43.02 41.86 1jtu s PHE 152 CO -0.00 0.34 0.49 -0.47 0.70 0.00 0.00 175.22 176.28 1jtu s TYR 153 N -2.03 -0.41 0.01 0.36 6.14 -0.75 -4.63 117.35 116.04 1jtu s TYR 153 Ca 0.36 0.66 0.04 0.00 0.64 0.00 0.00 57.07 58.77 1jtu s TYR 153 Cb -0.09 0.25 -0.01 0.00 0.42 0.00 0.00 41.96 42.53 1jtu s TYR 153 CO 0.29 -0.51 -0.13 0.08 0.64 0.00 0.00 175.55 175.92 1jtu s VAL 154 N -1.37 1.06 -0.28 3.14 1.01 -1.26 -0.93 120.40 121.76 1jtu s VAL 154 Ca -0.12 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1jtu s VAL 154 Cb -0.02 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.55 1jtu s VAL 154 CO 0.06 0.19 0.80 0.00 0.00 0.00 0.00 175.10 176.15 1jtu s ALA 155 N -0.50 -2.03 -1.45 5.51 0.00 -0.96 -4.92 121.76 117.41 1jtu s ALA 155 Ca 0.04 2.34 -0.10 0.00 0.00 0.00 0.00 51.96 54.23 1jtu s ALA 155 Cb -0.06 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.58 1jtu s ALA 155 CO 0.00 -0.37 0.75 -0.25 0.00 0.00 0.00 175.76 175.90 1jtu n ASP 156 N 4.07 -4.82 -0.75 0.00 8.00 -1.26 -0.96 116.55 120.82 1jtu n ASP 156 Ca -0.19 -0.54 -0.10 0.00 0.71 0.00 0.00 54.79 54.67 1jtu n ASP 156 Cb 0.58 -3.89 -0.04 0.00 -0.02 0.00 0.00 41.12 37.75 1jtu n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtu n GLY 157 N -1.50 1.09 3.41 0.44 0.00 -1.26 -4.96 105.19 102.41 1jtu n GLY 157 Ca -0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1jtu n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtu s LYS 158 N -2.64 3.23 -0.27 1.61 1.02 -0.13 -0.38 119.74 122.17 1jtu s LYS 158 Ca 0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.15 1jtu s LYS 158 Cb 0.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1jtu s LYS 158 CO 0.00 0.31 0.50 -1.17 -0.92 0.00 0.00 175.35 174.07 1jtu s LEU 159 N 0.10 4.09 0.37 3.17 2.96 0.23 -2.26 118.68 127.34 1jtu s LEU 159 Ca -0.05 0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 1jtu s LEU 159 Cb -0.15 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 1jtu s LEU 159 CO 0.04 -0.31 0.14 -0.44 -1.32 0.00 0.00 176.35 174.47 1jtu s SER 160 N 1.59 4.50 -0.24 3.68 0.01 -0.11 -0.10 113.70 123.04 1jtu s SER 160 Ca 0.20 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 1jtu s SER 160 Cb -0.16 -0.59 0.07 0.00 0.21 0.00 0.00 66.02 65.56 1jtu s SER 160 CO 0.10 -0.40 0.60 0.00 0.41 0.00 0.00 173.24 173.95 1jtu s GLN 162 N 1.06 2.74 -0.04 0.00 0.74 0.26 0.06 119.66 124.48 1jtu s GLN 162 Ca -0.06 -0.74 0.06 0.00 0.05 0.00 0.00 55.36 54.67 1jtu s GLN 162 Cb -0.05 -2.39 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1jtu s GLN 162 CO -0.10 0.46 -0.22 -1.17 -0.55 0.00 0.00 175.29 173.71 1jtu s LEU 163 N -0.32 2.28 -0.29 3.68 2.96 -0.12 -0.61 118.68 126.27 1jtu s LEU 163 Ca 0.02 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1jtu s LEU 163 Cb -0.13 -1.42 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1jtu s LEU 163 CO 0.02 0.31 0.02 -0.47 -1.32 0.00 0.00 176.35 174.92 1jtu s TYR 164 N -0.56 3.15 -0.30 5.38 5.04 0.48 -0.99 117.35 129.56 1jtu s TYR 164 Ca 0.08 -1.39 -0.08 0.00 -2.44 0.00 0.00 57.07 53.24 1jtu s TYR 164 Cb -0.11 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 1jtu s TYR 164 CO 0.00 -0.69 0.11 -1.14 -1.34 0.00 0.00 175.55 172.50 1jtu s GLN 165 N 1.38 3.26 0.33 4.97 0.74 0.13 -2.66 119.66 127.81 1jtu s GLN 165 Ca -0.00 -0.75 0.16 0.00 0.05 0.00 0.00 55.36 54.81 1jtu s GLN 165 Cb -0.18 -3.46 0.48 0.00 1.10 0.00 0.00 33.01 30.96 1jtu s GLN 165 CO -0.00 -0.40 1.64 0.07 -0.55 0.00 0.00 175.29 176.04 1jtu h ARG 166 N 8.29 0.00 -3.61 1.67 0.11 -1.35 0.24 114.38 119.73 1jtu h ARG 166 Ca -0.32 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.47 1jtu h ARG 166 Cb 1.14 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.90 1jtu h ARG 166 CO 0.61 0.48 -0.73 0.45 0.10 0.00 0.00 179.97 180.87 1jtu s SER 167 N -6.53 0.10 -0.09 0.08 0.15 -1.25 -1.03 113.70 105.12 1jtu s SER 167 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 1jtu s SER 167 Cb 0.11 -0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1jtu s SER 167 CO 0.72 -0.09 0.09 0.00 1.20 0.00 0.00 173.24 175.16 1jtu s ASP 169 N 2.18 6.35 0.15 0.00 -1.08 -1.26 -1.56 116.67 121.45 1jtu s ASP 169 Ca 0.04 -1.07 -0.17 0.00 -0.52 0.00 0.00 52.55 50.83 1jtu s ASP 169 Cb -0.13 -2.53 0.06 0.00 -1.46 0.00 0.00 42.92 38.85 1jtu s ASP 169 CO -0.06 -1.59 1.70 0.58 0.52 0.00 0.00 175.17 176.32 1jtu h VAL 170 N 6.33 0.72 0.07 1.11 2.07 -1.39 0.48 116.25 125.64 1jtu h VAL 170 Ca -0.04 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1jtu h VAL 170 Cb 1.03 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1jtu h VAL 170 CO 1.32 0.01 -0.03 0.15 0.02 0.00 0.00 177.57 179.03 1jtu h PHE 171 N 0.06 -0.09 0.10 1.57 3.57 -1.90 -3.32 116.94 116.93 1jtu h PHE 171 Ca 0.16 -0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.29 1jtu h PHE 171 Cb 0.23 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1jtu h PHE 171 CO -0.26 0.26 -2.08 -0.11 -2.23 0.00 0.00 178.31 173.89 1jtu n LEU 172 N -4.97 2.69 -0.04 0.59 7.94 -1.20 -4.66 117.00 117.35 1jtu n LEU 172 Ca -0.08 0.15 -0.20 0.00 -1.11 0.00 0.00 56.01 54.77 1jtu n LEU 172 Cb 0.20 -1.08 -0.13 0.00 0.53 0.00 0.00 43.42 42.95 1jtu n LEU 172 CO 0.33 0.87 -0.31 1.23 -1.11 0.00 0.00 177.39 178.40 1jtu h GLY 173 N 1.27 0.13 -0.28 -3.96 0.00 -0.27 -3.41 103.07 96.57 1jtu h GLY 173 Ca -0.45 -0.34 0.16 0.00 0.00 0.00 0.00 47.33 46.70 1jtu h GLY 173 CO 0.06 0.30 0.03 -2.00 0.00 0.00 0.00 176.54 174.92 1jtu h LEU 174 N -0.66 -0.29 -0.69 3.11 5.85 -1.43 -1.41 115.31 119.79 1jtu h LEU 174 Ca -0.26 0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.75 1jtu h LEU 174 Cb 1.47 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.73 1jtu h LEU 174 CO -0.04 -0.15 0.29 -0.65 -0.34 0.00 0.00 178.44 177.54 1jtu h PRO 175 N 0.12 0.46 -0.05 5.25 0.11 -1.78 0.25 132.00 136.36 1jtu h PRO 175 Ca 0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 1jtu h PRO 175 Cb 0.69 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1jtu h PRO 175 CO -0.62 0.30 -0.04 0.74 -0.21 0.00 0.00 178.00 178.17 1jtu h PHE 176 N 0.47 0.14 -0.97 0.65 -1.00 -1.52 -2.99 116.94 111.72 1jtu h PHE 176 Ca 0.35 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 61.14 1jtu h PHE 176 Cb 0.46 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.93 1jtu h PHE 176 CO -0.15 0.53 0.63 -0.91 -1.61 0.00 0.00 178.31 176.81 1jtu h ASN 177 N -0.29 1.03 -0.06 2.17 -0.26 -0.89 0.50 115.58 117.78 1jtu h ASN 177 Ca 0.01 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1jtu h ASN 177 Cb 0.50 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1jtu h ASN 177 CO 0.01 0.69 0.00 0.40 -1.06 0.00 0.00 177.43 177.48 1jtu h ILE 178 N 1.19 1.24 -0.77 2.81 2.04 -1.01 -2.59 117.51 120.42 1jtu h ILE 178 Ca 0.40 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1jtu h ILE 178 Cb 0.06 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1jtu h ILE 178 CO -0.13 0.20 0.32 0.00 0.00 0.00 0.00 178.15 178.54 1jtu h ALA 179 N 0.74 1.00 -0.32 1.87 0.00 -1.31 -1.67 119.26 119.57 1jtu h ALA 179 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jtu h ALA 179 Cb 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1jtu h ALA 179 CO 0.00 0.62 0.08 1.03 0.00 0.00 0.00 179.25 180.98 1jtu h SER 180 N 1.12 0.05 0.06 0.00 0.87 -0.85 -0.75 113.55 114.05 1jtu h SER 180 Ca 0.26 0.05 -0.22 0.00 -1.23 0.00 0.00 61.79 60.64 1jtu h SER 180 Cb 0.20 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1jtu h SER 180 CO -0.02 0.06 -0.84 1.88 -0.53 0.00 0.00 176.83 177.38 1jtu h TYR 181 N 0.20 0.86 -0.57 2.24 0.05 -1.34 -2.20 116.97 116.21 1jtu h TYR 181 Ca 0.15 -0.41 0.04 0.00 0.05 0.00 0.00 58.73 58.56 1jtu h TYR 181 Cb 0.15 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 1jtu h TYR 181 CO -0.16 1.22 0.38 0.00 -1.05 0.00 0.00 178.16 178.54 1jtu h ALA 182 N 0.66 1.74 -0.36 3.88 0.00 -1.10 -0.46 119.26 123.63 1jtu h ALA 182 Ca -0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1jtu h ALA 182 Cb 1.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jtu h ALA 182 CO 0.16 0.19 -0.25 1.25 0.00 0.00 0.00 179.25 180.59 1jtu h LEU 183 N 0.63 0.84 -0.45 0.00 5.85 -0.99 -2.75 115.31 118.44 1jtu h LEU 183 Ca 0.23 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1jtu h LEU 183 Cb 0.14 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1jtu h LEU 183 CO -0.06 1.10 0.26 0.25 -0.34 0.00 0.00 178.44 179.64 1jtu h LEU 184 N 0.59 0.56 -0.53 2.25 5.85 -0.53 -1.72 115.31 121.78 1jtu h LEU 184 Ca 0.07 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1jtu h LEU 184 Cb 0.82 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1jtu h LEU 184 CO 0.07 0.48 0.20 0.58 -0.34 0.00 0.00 178.44 179.43 1jtu h VAL 185 N 0.60 0.82 -0.68 1.05 2.07 -1.10 0.45 116.25 119.46 1jtu h VAL 185 Ca 0.16 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1jtu h VAL 185 Cb 0.04 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1jtu h VAL 185 CO -0.03 0.07 0.31 0.45 0.02 0.00 0.00 177.57 178.40 1jtu h HIS 186 N 0.39 0.97 -0.21 1.57 3.86 -1.14 0.21 115.15 120.80 1jtu h HIS 186 Ca 0.26 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1jtu h HIS 186 Cb 0.28 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1jtu h HIS 186 CO -0.16 0.72 -0.09 0.52 0.86 0.00 0.00 177.93 179.78 1jtu h MET 187 N 0.97 0.43 -0.19 2.45 2.07 -0.27 -0.84 114.93 119.55 1jtu h MET 187 Ca 0.23 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1jtu h MET 187 Cb 0.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 1jtu h MET 187 CO -0.03 0.71 0.12 0.52 1.07 0.00 0.00 176.91 179.30 1jtu h MET 188 N 0.13 0.25 -0.17 1.72 2.86 0.18 -2.10 114.93 117.79 1jtu h MET 188 Ca 0.05 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1jtu h MET 188 Cb 0.57 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1jtu h MET 188 CO 0.03 0.18 -0.05 0.00 1.06 0.00 0.00 176.91 178.13 1jtu h ALA 189 N 1.05 0.11 -0.21 6.32 0.00 -0.52 -1.44 119.26 124.57 1jtu h ALA 189 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jtu h ALA 189 Cb -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jtu h ALA 189 CO -0.01 -0.48 0.09 0.37 0.00 0.00 0.00 179.25 179.21 1jtu h GLN 190 N -0.01 0.29 -0.00 0.00 4.15 -0.99 -0.05 115.11 118.50 1jtu h GLN 190 Ca 0.09 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 1jtu h GLN 190 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1jtu h GLN 190 CO -0.19 0.24 -0.84 1.96 -1.93 0.00 0.00 178.83 178.08 1jtu h GLN 191 N 0.29 0.14 -0.58 1.69 1.08 -0.69 -3.25 115.11 113.79 1jtu h GLN 191 Ca 0.08 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1jtu h GLN 191 Cb 0.06 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1jtu h GLN 191 CO -0.01 0.89 0.00 0.00 -0.95 0.00 0.00 178.83 178.77 1jtu n ASP 193 N 1.49 -4.72 -4.62 0.00 8.00 -0.15 -4.99 116.55 111.57 1jtu n ASP 193 Ca 0.22 -0.65 -0.26 0.00 0.71 0.00 0.00 54.79 54.82 1jtu n ASP 193 Cb 0.59 -4.64 -0.09 0.00 -0.02 0.00 0.00 41.12 36.95 1jtu n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jtu s LEU 194 N -7.09 2.90 0.25 0.64 1.43 -0.53 -5.04 118.68 111.25 1jtu s LEU 194 Ca 0.45 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1jtu s LEU 194 Cb -0.21 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1jtu s LEU 194 CO 0.77 -0.30 0.43 -1.61 0.23 0.00 0.00 176.35 175.86 1jtu s GLU 195 N -3.71 3.49 0.30 1.70 0.41 0.49 -4.39 118.70 117.00 1jtu s GLU 195 Ca 0.35 -0.44 -0.28 0.00 -0.41 0.00 0.00 54.97 54.19 1jtu s GLU 195 Cb 0.03 -2.80 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 1jtu s GLU 195 CO 0.19 0.33 1.02 0.14 -0.49 0.00 0.00 175.26 176.45 1jtu s VAL 196 N -2.03 3.82 0.00 2.63 -7.23 -1.26 0.76 120.40 117.08 1jtu s VAL 196 Ca 0.38 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 62.22 1jtu s VAL 196 Cb -0.10 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.84 1jtu s VAL 196 CO 0.31 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 1jtu n GLY 197 N 0.97 1.48 3.83 2.32 0.00 0.86 -4.59 105.19 110.06 1jtu n GLY 197 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1jtu n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jtu s ASP 198 N 0.47 5.85 -0.28 1.61 1.01 -1.26 -1.24 116.67 122.84 1jtu s ASP 198 Ca 0.00 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 1jtu s ASP 198 Cb 0.00 -1.67 0.04 0.00 1.01 0.00 0.00 42.92 42.30 1jtu s ASP 198 CO 0.00 0.18 -0.03 0.12 0.21 0.00 0.00 175.17 175.64 1jtu s PHE 199 N -1.43 3.20 -0.29 4.23 5.36 -0.51 -1.11 117.98 127.43 1jtu s PHE 199 Ca 0.31 -1.83 -0.10 0.00 -0.96 0.00 0.00 56.93 54.35 1jtu s PHE 199 Cb -0.12 -2.07 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1jtu s PHE 199 CO 0.24 -0.79 0.17 0.08 -1.46 0.00 0.00 175.22 173.46 1jtu s VAL 200 N 1.26 5.01 -0.21 3.12 1.01 0.11 -1.77 120.40 128.93 1jtu s VAL 200 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1jtu s VAL 200 Cb -0.19 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1jtu s VAL 200 CO -0.03 0.19 0.12 0.86 0.00 0.00 0.00 175.10 176.25 1jtu s TRP 201 N 1.70 3.35 -0.09 5.22 -0.00 -0.34 -0.94 118.94 127.85 1jtu s TRP 201 Ca 0.06 0.23 0.02 0.00 -0.00 0.00 0.00 56.10 56.42 1jtu s TRP 201 Cb -0.16 -2.17 0.01 0.00 -0.00 0.00 0.00 33.47 31.15 1jtu s TRP 201 CO 0.09 0.20 -0.15 0.99 -0.00 0.00 0.00 176.95 178.08 1jtu s THR 202 N 0.54 1.39 0.14 5.86 2.01 -0.16 -1.49 115.64 123.93 1jtu s THR 202 Ca 0.07 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.54 1jtu s THR 202 Cb -0.12 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1jtu s THR 202 CO 0.00 0.41 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.43 1jtu s GLY 203 N 0.75 1.76 0.00 4.40 0.00 -0.01 -0.70 107.32 113.53 1jtu s GLY 203 Ca -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1jtu s GLY 203 CO 0.02 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.40 1jtu n GLY 204 N 0.35 0.34 3.55 0.20 0.00 0.84 -2.54 105.19 107.93 1jtu n GLY 204 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1jtu n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtu s ASP 205 N -1.00 6.20 -0.25 1.61 -1.08 -0.20 -1.46 116.67 120.50 1jtu s ASP 205 Ca 0.00 -0.60 -0.11 0.00 -0.52 0.00 0.00 52.55 51.33 1jtu s ASP 205 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1jtu s ASP 205 CO 0.00 -1.79 0.17 -0.89 0.52 0.00 0.00 175.17 173.18 1jtu s THR 206 N 5.59 5.34 0.23 1.71 2.01 -0.44 -1.27 115.64 128.80 1jtu s THR 206 Ca 0.36 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.46 1jtu s THR 206 Cb -0.07 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1jtu s THR 206 CO 0.12 0.32 0.32 -1.38 -0.69 0.00 0.00 174.62 173.31 1jtu s HIS 207 N 1.21 0.75 -0.10 4.92 -3.43 -0.60 -1.35 115.29 116.70 1jtu s HIS 207 Ca 0.07 -1.04 0.01 0.00 -0.80 0.00 0.00 55.06 53.30 1jtu s HIS 207 Cb -0.14 -0.16 0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1jtu s HIS 207 CO 0.06 -0.83 -0.12 -0.51 -2.00 0.00 0.00 174.74 171.34 1jtu s LEU 208 N -3.09 1.53 0.48 5.38 1.02 -0.85 -0.84 118.68 122.31 1jtu s LEU 208 Ca 0.30 -0.35 -0.21 0.00 0.02 0.00 0.00 54.13 53.89 1jtu s LEU 208 Cb 0.03 -0.92 -0.07 0.00 0.02 0.00 0.00 46.19 45.24 1jtu s LEU 208 CO 0.11 -0.02 1.10 -0.31 0.02 0.00 0.00 176.35 177.25 1jtu s TYR 209 N 1.12 2.91 0.31 0.29 2.02 -1.26 -0.99 117.35 121.76 1jtu s TYR 209 Ca -0.05 1.57 0.06 0.00 -0.37 0.00 0.00 57.07 58.28 1jtu s TYR 209 Cb -0.14 -3.23 0.74 0.00 -0.40 0.00 0.00 41.96 38.92 1jtu s TYR 209 CO -0.02 -1.21 1.80 0.77 -1.57 0.00 0.00 175.55 175.32 1jtu h SER 210 N 1.77 0.77 -0.40 2.29 0.02 -1.37 -0.86 113.55 115.78 1jtu h SER 210 Ca -0.49 0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.34 1jtu h SER 210 Cb 1.24 -0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 1jtu h SER 210 CO 0.59 0.31 0.25 -0.46 -1.14 0.00 0.00 176.83 176.38 1jtu n ASN 211 N -4.70 3.28 0.00 3.07 0.23 -1.26 -3.28 115.26 112.60 1jtu n ASN 211 Ca 0.22 -2.64 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 1jtu n ASN 211 Cb 0.54 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1jtu n ASN 211 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1jtu n HIS 212 N -0.14 0.00 -0.37 -2.53 8.25 -0.33 -4.60 115.22 115.50 1jtu n HIS 212 Ca 0.24 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.71 1jtu n HIS 212 Cb 0.96 0.00 0.16 0.00 1.12 0.00 0.00 29.99 32.23 1jtu n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jtu h MET 213 N 0.00 1.20 0.43 -0.41 2.86 -1.61 0.16 114.93 117.57 1jtu h MET 213 Ca 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1jtu h MET 213 Cb 0.12 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1jtu h MET 213 CO 0.00 0.79 -0.21 -0.44 1.06 0.00 0.00 176.91 178.11 1jtu h ASP 214 N 1.23 -0.49 -0.80 1.22 3.45 -1.88 -2.77 116.42 116.38 1jtu h ASP 214 Ca 0.41 -0.07 0.19 0.00 0.43 0.00 0.00 57.03 57.99 1jtu h ASP 214 Cb 0.07 0.13 -0.14 0.00 -0.56 0.00 0.00 39.33 38.83 1jtu h ASP 214 CO -0.14 -0.07 0.08 1.56 -1.57 0.00 0.00 179.24 179.10 1jtu h GLN 215 N -1.06 0.14 -0.71 3.56 7.50 -1.89 0.13 115.11 122.78 1jtu h GLN 215 Ca -0.06 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.15 1jtu h GLN 215 Cb 0.53 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.97 1jtu h GLN 215 CO 0.10 0.09 0.39 1.15 -1.50 0.00 0.00 178.83 179.06 1jtu h THR 216 N 0.14 0.94 -0.07 -0.54 2.02 -0.94 -1.19 112.91 113.27 1jtu h THR 216 Ca 0.46 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 67.27 1jtu h THR 216 Cb 0.85 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1jtu h THR 216 CO -0.66 0.13 -0.55 0.45 0.37 0.00 0.00 175.52 175.26 1jtu h HIS 217 N 0.70 0.26 0.49 3.16 3.86 -0.72 -0.88 115.15 122.02 1jtu h HIS 217 Ca 0.32 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1jtu h HIS 217 Cb 0.24 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1jtu h HIS 217 CO -0.08 0.71 -0.24 1.25 0.86 0.00 0.00 177.93 180.43 1jtu h LEU 218 N 0.16 -0.56 -1.05 2.43 5.85 -0.53 -2.65 115.31 118.96 1jtu h LEU 218 Ca 0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1jtu h LEU 218 Cb 1.01 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1jtu h LEU 218 CO 0.08 -0.35 0.18 -0.61 -0.34 0.00 0.00 178.44 177.39 1jtu h GLN 219 N -0.73 0.85 0.00 1.25 4.15 -1.21 -2.19 115.11 117.24 1jtu h GLN 219 Ca -0.07 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1jtu h GLN 219 Cb 0.54 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1jtu h GLN 219 CO 0.11 0.74 0.00 -0.11 -1.93 0.00 0.00 178.83 177.64 1jtu n LEU 220 N -4.29 0.00 -0.88 -2.39 7.94 -0.34 -1.82 117.00 115.21 1jtu n LEU 220 Ca 0.04 0.11 0.11 0.00 -1.11 0.00 0.00 56.01 55.16 1jtu n LEU 220 Cb 0.20 -0.11 0.09 0.00 0.53 0.00 0.00 43.42 44.14 1jtu n LEU 220 CO 0.40 -0.04 0.60 -1.54 -1.11 0.00 0.00 177.39 175.69 1jtu n SER 221 N -1.11 2.84 -4.95 1.96 3.41 -0.82 -4.97 113.62 109.99 1jtu n SER 221 Ca 0.12 -1.92 -0.25 0.00 -0.26 0.00 0.00 58.87 56.57 1jtu n SER 221 Cb 0.10 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1jtu n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jtu s ARG 222 N -1.83 3.44 -0.23 4.33 0.52 -0.76 -5.09 118.95 119.33 1jtu s ARG 222 Ca 0.26 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 1jtu s ARG 222 Cb 0.18 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1jtu s ARG 222 CO 0.28 0.49 0.38 -1.21 0.02 0.00 0.00 175.30 175.26 1jtu s GLU 223 N -3.43 4.11 0.34 3.54 0.41 -1.26 -5.05 118.70 117.36 1jtu s GLU 223 Ca 0.35 0.12 -0.28 0.00 -0.41 0.00 0.00 54.97 54.74 1jtu s GLU 223 Cb -0.11 -3.58 -0.12 0.00 -1.78 0.00 0.00 34.13 28.54 1jtu s GLU 223 CO 0.29 -0.13 1.26 -2.30 -0.49 0.00 0.00 175.26 173.89 1jtu n PRO 224 N 4.80 2.03 -2.75 0.39 -0.02 -1.26 -4.86 135.00 133.34 1jtu n PRO 224 Ca -0.09 0.71 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1jtu n PRO 224 Cb 0.51 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.82 1jtu n PRO 224 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1jtu n ARG 225 N 0.57 0.12 -2.39 -0.52 3.00 -1.26 -5.05 116.66 111.13 1jtu n ARG 225 Ca 0.05 -2.92 -0.41 0.00 -0.00 0.00 0.00 57.85 54.57 1jtu n ARG 225 Cb 0.36 -0.53 -0.04 0.00 0.00 0.00 0.00 32.46 32.25 1jtu n ARG 225 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1jtu s PRO 226 N -5.00 4.54 0.35 -0.14 0.02 -1.26 -4.94 135.00 128.56 1jtu s PRO 226 Ca 0.66 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 1jtu s PRO 226 Cb -0.04 -3.20 -0.11 0.00 0.02 0.00 0.00 34.50 31.17 1jtu s PRO 226 CO 0.43 0.02 1.44 -0.51 -0.33 0.00 0.00 177.00 178.05 1jtu s LEU 227 N -0.86 4.35 1.07 -5.54 1.43 -1.26 -4.83 118.68 113.04 1jtu s LEU 227 Ca 0.49 2.92 -0.16 0.00 -1.03 0.00 0.00 54.13 56.36 1jtu s LEU 227 Cb -0.33 -3.66 0.22 0.00 0.03 0.00 0.00 46.19 42.46 1jtu s LEU 227 CO 0.40 -0.77 1.14 -2.16 0.23 0.00 0.00 176.35 175.19 1jtu s PRO 228 N -1.78 -0.14 -0.06 1.29 0.04 -1.25 -4.74 135.00 128.36 1jtu s PRO 228 Ca 0.53 0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.71 1jtu s PRO 228 Cb -0.44 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1jtu s PRO 228 CO 0.58 -3.02 -0.23 0.15 0.04 0.00 0.00 177.00 174.52 1jtu s LYS 229 N -5.34 2.57 -0.23 4.56 -0.14 0.87 -1.08 119.74 120.94 1jtu s LYS 229 Ca 0.69 -0.87 -0.13 0.00 -1.36 0.00 0.00 55.97 54.30 1jtu s LYS 229 Cb -0.12 -2.21 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1jtu s LYS 229 CO 0.55 0.41 0.28 -1.17 -0.76 0.00 0.00 175.35 174.67 1jtu s LEU 230 N -0.23 4.12 -0.17 3.17 0.20 -1.26 0.27 118.68 124.79 1jtu s LEU 230 Ca -0.01 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.11 1jtu s LEU 230 Cb -0.13 -2.31 0.02 0.00 -0.43 0.00 0.00 46.19 43.34 1jtu s LEU 230 CO 0.03 -0.02 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.25 1jtu s ILE 231 N 1.26 1.95 -0.39 6.68 -1.09 0.11 -5.00 121.20 124.73 1jtu s ILE 231 Ca 0.13 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.54 1jtu s ILE 231 Cb -0.14 -1.77 0.03 0.00 -1.58 0.00 0.00 42.46 39.00 1jtu s ILE 231 CO 0.07 0.52 0.25 -0.63 -1.23 0.00 0.00 174.94 173.92 1jtu s ILE 232 N 1.24 4.83 -1.89 2.92 1.01 -1.26 -1.33 121.20 126.71 1jtu s ILE 232 Ca 0.03 -0.83 0.22 0.00 0.00 0.00 0.00 60.65 60.07 1jtu s ILE 232 Cb -0.13 -3.71 0.59 0.00 0.01 0.00 0.00 42.46 39.22 1jtu s ILE 232 CO -0.10 -0.29 1.72 0.29 0.00 0.00 0.00 174.94 176.55 1jtu n LYS 233 N 5.06 0.63 -3.62 2.79 5.02 -0.23 -4.87 118.16 122.94 1jtu n LYS 233 Ca -0.11 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.09 1jtu n LYS 233 Cb 0.46 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1jtu n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jtu s ARG 234 N -2.11 1.14 -0.41 1.97 3.52 -1.26 -5.08 118.95 116.72 1jtu s ARG 234 Ca 0.31 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 55.24 1jtu s ARG 234 Cb 0.15 0.49 0.12 0.00 -1.56 0.00 0.00 34.95 34.16 1jtu s ARG 234 CO 0.27 -0.46 0.18 0.21 -0.81 0.00 0.00 175.30 174.69 1jtu s LYS 235 N -3.81 1.39 1.14 5.12 2.20 -1.26 -5.07 119.74 119.44 1jtu s LYS 235 Ca 0.04 -1.96 -0.13 0.00 -0.36 0.00 0.00 55.97 53.57 1jtu s LYS 235 Cb 0.01 -2.69 0.27 0.00 -1.51 0.00 0.00 37.83 33.91 1jtu s LYS 235 CO -0.11 -1.07 1.04 -2.14 -0.36 0.00 0.00 175.35 172.71 1jtu s PRO 236 N 0.54 -0.74 0.26 4.03 0.02 -1.26 -4.94 135.00 132.92 1jtu s PRO 236 Ca 0.15 0.88 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1jtu s PRO 236 Cb -0.22 -1.57 0.35 0.00 0.02 0.00 0.00 34.50 33.07 1jtu s PRO 236 CO -0.06 -3.62 1.70 0.93 -0.33 0.00 0.00 177.00 175.62 1jtu h GLU 237 N -2.55 0.57 -4.09 5.54 4.39 -2.00 -3.46 114.58 112.99 1jtu h GLU 237 Ca -0.60 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 58.75 1jtu h GLU 237 Cb 1.33 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.81 1jtu h GLU 237 CO 0.50 0.76 -0.46 -1.54 -1.16 0.00 0.00 179.01 177.11 1jtu s SER 238 N -6.79 0.16 0.38 1.42 1.04 -1.26 -5.01 113.70 103.64 1jtu s SER 238 Ca -0.08 -0.97 0.22 0.00 0.48 0.00 0.00 55.95 55.60 1jtu s SER 238 Cb 0.14 0.37 1.19 0.00 0.10 0.00 0.00 66.02 67.81 1jtu s SER 238 CO 0.80 -0.81 1.64 -0.29 0.98 0.00 0.00 173.24 175.56 1jtu h ILE 239 N 2.71 0.00 -0.15 -1.02 6.09 -1.94 -1.02 117.51 122.17 1jtu h ILE 239 Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1jtu h ILE 239 Cb 1.21 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1jtu h ILE 239 CO 0.54 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 176.11 1jtu n PHE 240 N -2.32 0.18 -0.21 2.19 3.72 -1.26 -4.35 117.46 115.41 1jtu n PHE 240 Ca -0.01 -0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1jtu n PHE 240 Cb 0.15 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.94 1jtu n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jtu n ASP 241 N 1.13 3.57 -4.78 4.37 9.92 -0.39 -4.99 116.55 125.39 1jtu n ASP 241 Ca 0.17 -1.98 -0.36 0.00 -0.53 0.00 0.00 54.79 52.08 1jtu n ASP 241 Cb 0.54 -0.38 -0.01 0.00 -0.64 0.00 0.00 41.12 40.63 1jtu n ASP 241 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jtu s TYR 242 N -1.06 2.88 0.21 1.24 1.51 -1.26 -4.89 117.35 115.98 1jtu s TYR 242 Ca 0.40 1.56 0.07 0.00 -1.01 0.00 0.00 57.07 58.08 1jtu s TYR 242 Cb 0.21 -3.26 -0.05 0.00 -0.11 0.00 0.00 41.96 38.75 1jtu s TYR 242 CO 0.28 -1.29 -0.11 1.03 -1.11 0.00 0.00 175.55 174.34 1jtu s ARG 243 N -2.95 1.32 0.26 -0.62 0.52 -1.26 -5.05 118.95 111.16 1jtu s ARG 243 Ca 0.66 -1.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.24 1jtu s ARG 243 Cb -0.24 -0.99 0.52 0.00 0.52 0.00 0.00 34.95 34.76 1jtu s ARG 243 CO 0.29 0.12 1.71 0.35 0.02 0.00 0.00 175.30 177.78 1jtu h PHE 244 N 2.54 0.48 0.00 -0.53 3.57 -1.96 -1.96 116.94 119.08 1jtu h PHE 244 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1jtu h PHE 244 Cb 1.22 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1jtu h PHE 244 CO 0.69 -0.00 0.00 1.05 -2.23 0.00 0.00 178.31 177.81 1jtu h GLU 245 N 0.39 0.00 0.00 1.11 9.09 -2.03 -2.74 114.58 120.41 1jtu h GLU 245 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1jtu h GLU 245 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1jtu h GLU 245 CO -0.46 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.16 1jtu h ASP 246 N 0.00 0.00 -2.99 3.06 3.32 -1.75 -3.43 116.42 114.62 1jtu h ASP 246 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1jtu h ASP 246 Cb 0.44 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1jtu h ASP 246 CO 0.00 0.00 -0.38 -0.36 -1.72 0.00 0.00 179.24 176.78 1jtu s PHE 247 N -3.81 3.49 -0.24 4.55 0.08 -1.03 -1.07 117.98 119.95 1jtu s PHE 247 Ca -0.02 0.39 -0.08 0.00 0.12 0.00 0.00 56.93 57.34 1jtu s PHE 247 Cb 0.10 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.78 1jtu s PHE 247 CO 0.41 0.48 0.51 -2.00 -0.10 0.00 0.00 175.22 174.51 1jtu s GLU 248 N -2.76 0.43 -0.22 0.44 2.56 -0.44 -4.94 118.70 113.77 1jtu s GLU 248 Ca 0.38 1.19 -0.09 0.00 0.00 0.00 0.00 54.97 56.45 1jtu s GLU 248 Cb -0.12 0.51 -0.04 0.00 2.00 0.00 0.00 34.13 36.48 1jtu s GLU 248 CO 0.27 -0.23 0.11 0.42 -0.56 0.00 0.00 175.26 175.27 1jtu s ILE 249 N 2.65 5.02 0.03 -3.70 -1.09 -1.26 0.09 121.20 122.95 1jtu s ILE 249 Ca -0.04 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1jtu s ILE 249 Cb -0.12 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1jtu s ILE 249 CO -0.15 0.39 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.30 1jtu s GLU 250 N 0.83 2.55 -0.97 2.79 0.41 0.14 -4.70 118.70 119.75 1jtu s GLU 250 Ca 0.06 -0.76 -0.06 0.00 -0.41 0.00 0.00 54.97 53.79 1jtu s GLU 250 Cb -0.13 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.70 1jtu s GLU 250 CO 0.02 0.58 0.79 0.41 -0.49 0.00 0.00 175.26 176.58 1jtu n GLY 251 N 1.20 -0.11 3.32 -1.39 0.00 -1.26 -0.09 105.19 106.86 1jtu n GLY 251 Ca -0.14 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 1jtu n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jtu s TYR 252 N -3.20 3.25 -0.60 1.61 5.04 -1.26 -4.24 117.35 117.95 1jtu s TYR 252 Ca 0.39 -1.23 0.04 0.00 -2.44 0.00 0.00 57.07 53.83 1jtu s TYR 252 Cb -0.17 -3.71 0.17 0.00 0.35 0.00 0.00 41.96 38.59 1jtu s TYR 252 CO 0.48 -0.99 0.43 0.34 -1.34 0.00 0.00 175.55 174.47 1jtu s ASP 253 N 3.46 3.80 0.30 4.32 2.15 -1.26 -5.12 116.67 124.32 1jtu s ASP 253 Ca 0.03 -3.52 -0.06 0.00 0.43 0.00 0.00 52.55 49.43 1jtu s ASP 253 Cb -0.29 -1.26 -0.05 0.00 -0.30 0.00 0.00 42.92 41.01 1jtu s ASP 253 CO 0.04 -0.13 0.58 -2.16 -0.17 0.00 0.00 175.17 173.33 1jtu s PRO 254 N -0.87 3.65 1.33 4.34 0.04 -1.26 -4.92 135.00 137.31 1jtu s PRO 254 Ca 0.26 0.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.16 1jtu s PRO 254 Cb -0.04 -2.61 0.32 0.00 0.04 0.00 0.00 34.50 32.21 1jtu s PRO 254 CO -0.16 0.18 0.73 0.72 0.04 0.00 0.00 177.00 178.52 1jtu n HIS 255 N -0.96 -3.39 -2.23 0.56 8.25 0.16 -4.75 115.22 112.87 1jtu n HIS 255 Ca -0.01 -0.57 -0.34 0.00 -0.26 0.00 0.00 57.72 56.53 1jtu n HIS 255 Cb 0.54 -1.35 0.00 0.00 1.12 0.00 0.00 29.99 30.30 1jtu n HIS 255 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1jtu s PRO 256 N -4.59 3.35 0.81 -0.41 0.02 -1.26 -3.03 135.00 129.90 1jtu s PRO 256 Ca 0.57 1.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 1jtu s PRO 256 Cb -0.10 -2.01 0.08 0.00 0.02 0.00 0.00 34.50 32.49 1jtu s PRO 256 CO 0.48 -0.83 1.11 0.20 -0.33 0.00 0.00 177.00 177.63 1jtu s GLY 257 N -1.99 1.69 -0.04 0.52 0.00 -1.26 -3.88 107.32 102.36 1jtu s GLY 257 Ca 0.70 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.82 1jtu s GLY 257 CO 0.28 0.74 -0.11 -0.42 0.00 0.00 0.00 173.10 173.60 1jtu s ILE 258 N -2.82 0.95 0.04 0.90 1.01 -1.26 -4.88 121.20 115.14 1jtu s ILE 258 Ca 0.63 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1jtu s ILE 258 Cb -0.19 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1jtu s ILE 258 CO 0.56 0.30 0.22 -0.54 0.00 0.00 0.00 174.94 175.49 1jtu s LYS 259 N 0.38 3.47 0.01 2.79 -0.14 -1.26 -5.05 119.74 119.95 1jtu s LYS 259 Ca -0.07 -0.32 -0.22 0.00 -1.36 0.00 0.00 55.97 53.99 1jtu s LYS 259 Cb -0.12 -3.04 0.05 0.00 -1.68 0.00 0.00 37.83 33.04 1jtu s LYS 259 CO 0.02 0.62 0.50 0.00 -0.76 0.00 0.00 175.35 175.73 1jtu s ALA 260 N -1.44 -1.28 0.49 5.17 0.00 -1.26 -4.94 121.76 118.50 1jtu s ALA 260 Ca 0.32 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 1jtu s ALA 260 Cb -0.13 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 1jtu s ALA 260 CO 0.23 -0.41 1.20 -2.14 0.00 0.00 0.00 175.76 174.64 1jtu s PRO 261 N -1.91 3.56 -0.36 0.00 0.02 -1.26 -5.02 135.00 130.03 1jtu s PRO 261 Ca -0.08 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 62.66 1jtu s PRO 261 Cb -0.01 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1jtu s PRO 261 CO 0.02 -0.74 0.22 0.08 -0.33 0.00 0.00 177.00 176.26 1jtu s VAL 262 N -1.52 4.87 -0.14 3.83 1.01 -1.26 -5.02 120.40 122.15 1jtu s VAL 262 Ca 0.67 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1jtu s VAL 262 Cb -0.30 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1jtu s VAL 262 CO 0.36 -0.14 1.76 0.00 0.00 0.00 0.00 175.10 177.08 1jtu s ALA 263 N 1.63 3.32 -2.56 5.51 0.00 -1.26 -5.20 121.76 123.20 1jtu s ALA 263 Ca 0.04 0.74 0.28 0.00 0.00 0.00 0.00 51.96 53.02 1jtu s ALA 263 Cb -0.18 -3.86 0.95 0.00 0.00 0.00 0.00 23.12 20.03 1jtu s ALA 263 CO 0.08 -1.89 1.69 -0.89 0.00 0.00 0.00 175.76 174.76