#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jut h GLN 3 N 0.00 0.20 0.40 1.64 4.20 -1.98 -1.46 115.11 118.11 1jut h GLN 3 Ca 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1jut h GLN 3 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1jut h GLN 3 CO 0.00 0.48 -0.19 -0.92 -0.67 0.00 0.00 178.83 177.52 1jut h TYR 4 N 0.18 -0.50 -0.66 2.96 3.20 -2.01 -1.22 116.97 118.92 1jut h TYR 4 Ca 0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1jut h TYR 4 Cb 0.61 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1jut h TYR 4 CO 0.01 -0.21 0.43 -0.07 -1.64 0.00 0.00 178.16 176.68 1jut h LEU 5 N -0.75 0.66 -0.79 2.82 3.38 -1.97 -0.03 115.31 118.62 1jut h LEU 5 Ca -0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jut h LEU 5 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1jut h LEU 5 CO 0.09 0.45 0.48 -0.08 0.09 0.00 0.00 178.44 179.47 1jut h GLU 6 N 0.76 1.08 -0.13 1.13 4.81 -1.05 0.24 114.58 121.42 1jut h GLU 6 Ca 0.27 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 59.17 1jut h GLU 6 Cb 0.10 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.27 1jut h GLU 6 CO -0.08 0.76 -0.80 1.25 -0.73 0.00 0.00 179.01 179.42 1jut h LEU 7 N 1.09 0.92 -0.93 1.64 5.85 -0.26 -2.12 115.31 121.51 1jut h LEU 7 Ca 0.28 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.45 1jut h LEU 7 Cb -0.04 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.64 1jut h LEU 7 CO -0.05 1.42 0.57 -0.03 -0.34 0.00 0.00 178.44 180.01 1jut h MET 8 N 0.48 0.93 -0.16 1.25 4.05 -0.54 -0.94 114.93 120.01 1jut h MET 8 Ca -0.06 -0.06 -0.21 0.00 -0.28 0.00 0.00 59.70 59.09 1jut h MET 8 Cb 1.43 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 32.03 1jut h MET 8 CO 0.16 0.62 -0.74 0.37 0.23 0.00 0.00 176.91 177.56 1jut h GLN 9 N 0.96 0.73 -0.97 0.39 5.75 -0.91 -3.13 115.11 117.94 1jut h GLN 9 Ca 0.44 -0.57 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1jut h GLN 9 Cb 0.34 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.94 1jut h GLN 9 CO -0.23 1.19 0.63 -0.22 -2.65 0.00 0.00 178.83 177.55 1jut h LYS 10 N 0.51 1.16 -0.68 1.69 3.64 -0.53 -0.18 116.57 122.17 1jut h LYS 10 Ca -0.04 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1jut h LYS 10 Cb 1.35 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1jut h LYS 10 CO 0.15 0.77 0.25 0.28 -2.27 0.00 0.00 179.45 178.63 1jut h VAL 11 N 1.20 1.25 -0.33 2.00 2.07 -1.23 0.23 116.25 121.44 1jut h VAL 11 Ca 0.40 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1jut h VAL 11 Cb 0.05 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jut h VAL 11 CO -0.14 0.32 0.07 -0.07 0.02 0.00 0.00 177.57 177.77 1jut h LEU 12 N 0.98 0.51 -0.45 2.57 3.38 -1.25 0.81 115.31 121.86 1jut h LEU 12 Ca 0.22 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1jut h LEU 12 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jut h LEU 12 CO -0.01 0.61 -0.70 0.44 0.09 0.00 0.00 178.44 178.87 1jut h ASP 13 N 0.37 0.43 0.00 -0.43 3.32 -0.89 -3.38 116.42 115.84 1jut h ASP 13 Ca 0.10 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1jut h ASP 13 Cb 0.31 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1jut h ASP 13 CO 0.00 1.00 -1.60 -0.62 -1.72 0.00 0.00 179.24 176.30 1jut n GLU 14 N -3.84 1.22 -1.42 3.56 1.02 0.80 -5.06 120.64 116.92 1jut n GLU 14 Ca -0.04 -0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.66 1jut n GLU 14 Cb 0.69 -1.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1jut n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jut n GLY 15 N 2.09 -1.83 3.68 0.62 0.00 0.28 -4.90 105.19 105.13 1jut n GLY 15 Ca -0.09 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1jut n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jut s THR 16 N -1.75 4.08 0.12 2.61 2.01 -0.36 -4.72 115.64 117.63 1jut s THR 16 Ca 0.66 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1jut s THR 16 Cb -0.47 -2.84 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1jut s THR 16 CO 0.57 0.32 1.04 -1.10 -0.69 0.00 0.00 174.62 174.77 1jut s GLN 17 N -1.70 4.62 0.01 4.92 -0.21 -1.26 -1.62 119.66 124.41 1jut s GLN 17 Ca 0.21 1.59 0.02 0.00 0.02 0.00 0.00 55.36 57.20 1jut s GLN 17 Cb -0.12 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 1jut s GLN 17 CO 0.12 0.09 -0.07 0.15 -2.12 0.00 0.00 175.29 173.45 1jut s LYS 18 N 0.05 0.52 -0.17 2.91 1.02 -0.36 -4.97 119.74 118.74 1jut s LYS 18 Ca 0.50 -0.38 -0.23 0.00 0.02 0.00 0.00 55.97 55.87 1jut s LYS 18 Cb -0.26 -0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1jut s LYS 18 CO 0.32 0.11 0.75 1.21 -0.92 0.00 0.00 175.35 176.82 1jut s ASN 19 N -0.56 6.86 0.51 2.83 3.84 -1.26 -1.38 114.94 125.78 1jut s ASN 19 Ca -0.01 1.06 0.08 0.00 0.21 0.00 0.00 52.86 54.20 1jut s ASN 19 Cb -0.05 -2.41 0.04 0.00 -0.55 0.00 0.00 41.25 38.28 1jut s ASN 19 CO 0.00 -0.32 0.57 1.51 -2.79 0.00 0.00 177.10 176.06 1jut s ASP 20 N 1.13 5.04 0.52 -4.21 -4.77 -1.26 -4.97 116.67 108.15 1jut s ASP 20 Ca 0.35 -0.88 0.20 0.00 -3.30 0.00 0.00 52.55 48.92 1jut s ASP 20 Cb -0.16 0.02 1.32 0.00 -1.09 0.00 0.00 42.92 43.00 1jut s ASP 20 CO 0.12 -1.05 2.08 0.08 0.70 0.00 0.00 175.17 177.10 1jut h ARG 21 N 0.58 0.01 -5.93 2.11 0.11 -2.00 -3.33 114.38 105.92 1jut h ARG 21 Ca -0.36 -0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.16 1jut h ARG 21 Cb 1.29 -0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.30 1jut h ARG 21 CO 0.49 0.01 0.06 0.99 0.10 0.00 0.00 179.97 181.62 1jut s THR 22 N -5.05 5.06 -0.16 0.08 2.01 -1.26 -4.90 115.64 111.42 1jut s THR 22 Ca -0.05 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1jut s THR 22 Cb 0.18 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1jut s THR 22 CO 0.70 0.24 0.22 0.61 -0.69 0.00 0.00 174.62 175.70 1jut n GLY 23 N 3.23 0.47 0.09 4.40 0.00 -1.25 -3.94 105.19 108.18 1jut n GLY 23 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1jut n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jut h THR 24 N 0.63 1.61 0.00 2.61 2.02 -1.91 -3.48 112.91 114.40 1jut h THR 24 Ca 0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1jut h THR 24 Cb 0.22 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1jut h THR 24 CO 0.00 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.12 1jut n GLY 25 N 1.62 2.34 3.49 2.16 0.00 -1.25 -4.62 105.19 108.92 1jut n GLY 25 Ca -0.14 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 1jut n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jut s THR 26 N -1.64 0.01 -0.21 2.61 -4.23 -0.48 -1.79 115.64 109.92 1jut s THR 26 Ca 0.00 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1jut s THR 26 Cb 0.00 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.73 1jut s THR 26 CO 0.00 -0.06 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.10 1jut s LEU 27 N -3.02 2.65 0.15 4.79 1.43 -0.35 -1.22 118.68 123.11 1jut s LEU 27 Ca 0.23 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1jut s LEU 27 Cb 0.01 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1jut s LEU 27 CO 0.07 -0.07 -0.05 -0.94 0.23 0.00 0.00 176.35 175.59 1jut s SER 28 N 1.22 1.42 0.11 2.29 1.04 -0.64 -1.51 113.70 117.63 1jut s SER 28 Ca -0.00 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.39 1jut s SER 28 Cb -0.16 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1jut s SER 28 CO -0.10 -0.46 -0.11 0.27 0.98 0.00 0.00 173.24 173.82 1jut s ILE 29 N -3.53 1.09 -0.17 -1.02 -4.36 -0.70 -1.22 121.20 111.29 1jut s ILE 29 Ca 0.19 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1jut s ILE 29 Cb 0.05 -1.46 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 1jut s ILE 29 CO 0.01 -0.53 -0.13 0.12 0.24 0.00 0.00 174.94 174.65 1jut s PHE 30 N -2.43 2.82 0.00 1.37 5.36 -1.26 -1.19 117.98 122.66 1jut s PHE 30 Ca 0.08 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.03 1jut s PHE 30 Cb -0.03 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1jut s PHE 30 CO 0.01 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 1jut n GLY 31 N 4.18 -1.96 3.52 13.12 0.00 -0.68 -5.02 105.19 118.35 1jut n GLY 31 Ca -0.19 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1jut n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jut s HIS 32 N 0.00 -0.66 -0.03 1.61 5.04 -1.12 -4.98 115.29 115.16 1jut s HIS 32 Ca 0.00 1.34 0.03 0.00 -1.54 0.00 0.00 55.06 54.89 1jut s HIS 32 Cb 0.00 0.32 -0.00 0.00 0.04 0.00 0.00 32.58 32.94 1jut s HIS 32 CO 0.00 -0.49 -0.12 -1.14 -2.34 0.00 0.00 174.74 170.65 1jut s GLN 33 N -0.57 1.17 0.05 2.88 0.74 -1.26 -1.18 119.66 121.49 1jut s GLN 33 Ca -0.07 -0.41 0.05 0.00 0.05 0.00 0.00 55.36 54.98 1jut s GLN 33 Cb -0.02 -1.08 -0.02 0.00 1.10 0.00 0.00 33.01 32.99 1jut s GLN 33 CO 0.06 0.19 -0.15 1.41 -0.55 0.00 0.00 175.29 176.24 1jut s MET 34 N 0.03 0.99 -0.07 1.67 1.75 0.66 -4.99 119.30 119.34 1jut s MET 34 Ca -0.01 -0.84 0.02 0.00 -1.25 0.00 0.00 55.69 53.61 1jut s MET 34 Cb -0.08 -1.04 0.02 0.00 2.84 0.00 0.00 34.83 36.57 1jut s MET 34 CO 0.01 0.25 -0.11 0.50 -0.65 0.00 0.00 175.02 175.02 1jut s ARG 35 N -1.28 1.60 -0.20 4.11 3.52 -1.26 -0.75 118.95 124.69 1jut s ARG 35 Ca 0.02 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1jut s ARG 35 Cb -0.08 -1.39 0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1jut s ARG 35 CO 0.02 -0.03 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.30 1jut s PHE 36 N 0.85 2.58 -0.37 5.12 0.08 -0.20 -4.97 117.98 121.06 1jut s PHE 36 Ca -0.11 -1.68 -0.28 0.00 0.12 0.00 0.00 56.93 54.97 1jut s PHE 36 Cb -0.15 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1jut s PHE 36 CO 0.01 -0.77 1.06 1.21 -0.10 0.00 0.00 175.22 176.63 1jut s ASN 37 N 1.34 6.79 0.33 1.36 3.84 -1.26 0.28 114.94 127.62 1jut s ASN 37 Ca -0.01 0.78 0.26 0.00 0.21 0.00 0.00 52.86 54.10 1jut s ASN 37 Cb -0.16 -2.53 1.13 0.00 -0.55 0.00 0.00 41.25 39.14 1jut s ASN 37 CO -0.09 -0.98 1.77 -0.07 -2.79 0.00 0.00 177.10 174.95 1jut h LEU 38 N 10.39 0.00 -1.17 3.21 4.07 -1.45 -2.71 115.31 127.66 1jut h LEU 38 Ca -0.22 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.66 1jut h LEU 38 Cb 1.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1jut h LEU 38 CO 1.05 0.00 -0.38 -0.61 -1.08 0.00 0.00 178.44 177.42 1jut h GLN 39 N 0.00 0.00 0.00 1.13 5.75 -1.81 -2.65 115.11 117.53 1jut h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jut h GLN 39 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1jut h GLN 39 CO 0.00 0.38 0.00 -0.25 -2.65 0.00 0.00 178.83 176.31 1jut n ASP 40 N -3.82 0.00 0.00 -0.69 8.00 -1.02 -4.99 116.55 114.03 1jut n ASP 40 Ca -0.01 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1jut n ASP 40 Cb 0.45 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1jut n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jut n GLY 41 N 1.23 4.04 3.73 0.44 0.00 -1.00 -4.80 105.19 108.84 1jut n GLY 41 Ca 0.08 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1jut n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jut s PHE 42 N -2.28 3.22 -1.34 1.61 5.36 -0.67 -4.63 117.98 119.26 1jut s PHE 42 Ca 0.00 1.09 -0.10 0.00 -0.96 0.00 0.00 56.93 56.97 1jut s PHE 42 Cb 0.00 -3.66 0.12 0.00 -0.34 0.00 0.00 43.02 39.14 1jut s PHE 42 CO 0.00 -2.17 2.08 -0.35 -1.46 0.00 0.00 175.22 173.32 1jut n PRO 43 N 3.10 3.59 -3.79 10.12 -0.04 -1.26 -4.03 135.00 142.69 1jut n PRO 43 Ca 0.08 -3.25 -0.36 0.00 -0.04 0.00 0.00 63.50 59.93 1jut n PRO 43 Cb 0.42 -2.96 -0.11 0.00 -0.04 0.00 0.00 33.50 30.82 1jut n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jut s LEU 44 N 0.10 3.77 0.24 1.53 2.96 -1.26 -4.21 118.68 121.81 1jut s LEU 44 Ca 0.45 -0.03 -0.31 0.00 -0.22 0.00 0.00 54.13 54.01 1jut s LEU 44 Cb 0.12 -2.00 -0.14 0.00 0.50 0.00 0.00 46.19 44.67 1jut s LEU 44 CO -0.03 0.04 1.26 0.52 -1.32 0.00 0.00 176.35 176.82 1jut n VAL 45 N 4.43 1.20 0.10 1.68 0.31 -1.26 -4.83 118.33 119.96 1jut n VAL 45 Ca -0.16 -0.30 0.07 0.00 -0.01 0.00 0.00 64.34 63.95 1jut n VAL 45 Cb 0.52 -1.22 -0.11 0.00 -0.91 0.00 0.00 33.84 32.11 1jut n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jut n THR 46 N 1.36 0.00 1.81 2.52 -2.24 -1.26 -4.41 114.28 112.06 1jut n THR 46 Ca 0.12 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1jut n THR 46 Cb 0.30 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1jut n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jut n THR 47 N -1.92 0.00 -3.52 4.28 -2.24 -1.26 -0.03 114.28 109.59 1jut n THR 47 Ca -0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1jut n THR 47 Cb 0.37 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1jut n THR 47 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jut s LYS 48 N -2.00 0.31 0.09 -0.78 2.20 -1.26 -4.65 119.74 113.65 1jut s LYS 48 Ca 0.00 0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 55.96 1jut s LYS 48 Cb 0.00 0.25 -0.09 0.00 -1.51 0.00 0.00 37.83 36.48 1jut s LYS 48 CO 0.00 -0.08 1.76 0.50 -0.36 0.00 0.00 175.35 177.16 1jut s ARG 49 N 1.88 4.16 -0.03 4.03 3.52 0.25 -4.75 118.95 128.02 1jut s ARG 49 Ca -0.06 2.47 0.01 0.00 -0.13 0.00 0.00 55.73 58.02 1jut s ARG 49 Cb -0.05 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1jut s ARG 49 CO -0.16 -0.81 -0.01 0.00 -0.81 0.00 0.00 175.30 173.51 1jut s HIS 51 N -1.00 3.25 0.37 0.00 3.76 -1.26 -4.93 115.29 115.47 1jut s HIS 51 Ca 0.17 -0.87 0.31 0.00 -0.15 0.00 0.00 55.06 54.52 1jut s HIS 51 Cb -0.11 -2.65 1.54 0.00 1.11 0.00 0.00 32.58 32.47 1jut s HIS 51 CO 0.07 -0.67 2.08 -0.07 -0.85 0.00 0.00 174.74 175.30 1jut h LEU 52 N 8.56 0.00 -1.56 0.89 3.38 -1.99 -3.08 115.31 121.50 1jut h LEU 52 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1jut h LEU 52 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1jut h LEU 52 CO 0.73 0.09 -0.13 -0.09 0.09 0.00 0.00 178.44 179.13 1jut h ARG 53 N 0.00 0.12 0.04 1.13 2.43 -2.00 0.12 114.38 116.22 1jut h ARG 53 Ca -0.00 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1jut h ARG 53 Cb 0.35 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1jut h ARG 53 CO 0.01 0.26 -0.77 0.77 -1.51 0.00 0.00 179.97 178.73 1jut h SER 54 N 0.12 0.60 -0.13 -3.80 0.02 -1.95 -2.89 113.55 105.53 1jut h SER 54 Ca 0.02 -0.80 0.01 0.00 -0.84 0.00 0.00 61.79 60.18 1jut h SER 54 Cb 0.31 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1jut h SER 54 CO 0.02 1.34 0.06 0.40 -1.14 0.00 0.00 176.83 177.50 1jut h ILE 55 N -0.05 0.99 0.07 3.27 2.04 -1.51 -2.43 117.51 119.90 1jut h ILE 55 Ca -0.11 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1jut h ILE 55 Cb 1.49 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1jut h ILE 55 CO 0.15 0.02 -0.04 0.40 0.00 0.00 0.00 178.15 178.69 1jut h ILE 56 N 0.13 0.99 -0.51 -0.67 2.04 -0.87 -2.54 117.51 116.08 1jut h ILE 56 Ca 0.05 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jut h ILE 56 Cb 0.01 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1jut h ILE 56 CO -0.04 0.05 0.30 0.45 0.00 0.00 0.00 178.15 178.91 1jut h HIS 57 N -0.19 0.66 0.12 1.37 3.86 -1.50 -0.69 115.15 118.79 1jut h HIS 57 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1jut h HIS 57 Cb 0.16 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1jut h HIS 57 CO -0.04 0.44 -0.06 1.49 0.86 0.00 0.00 177.93 180.62 1jut h GLU 58 N 0.70 -0.16 -0.12 2.45 4.81 -1.29 0.15 114.58 121.12 1jut h GLU 58 Ca 0.18 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1jut h GLU 58 Cb -0.02 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1jut h GLU 58 CO -0.03 0.04 -0.07 1.25 -0.73 0.00 0.00 179.01 179.47 1jut h LEU 59 N -0.34 -0.23 -1.15 1.64 5.85 -1.12 0.37 115.31 120.32 1jut h LEU 59 Ca -0.02 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1jut h LEU 59 Cb 0.27 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1jut h LEU 59 CO 0.03 -0.10 0.59 -0.07 -0.34 0.00 0.00 178.44 178.55 1jut h LEU 60 N -0.07 0.87 -0.68 2.25 3.38 -1.01 0.92 115.31 120.96 1jut h LEU 60 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jut h LEU 60 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1jut h LEU 60 CO -0.16 0.53 0.34 -0.25 0.09 0.00 0.00 178.44 178.99 1jut h TRP 61 N 0.97 0.96 0.62 1.13 7.01 0.89 -2.27 115.95 125.26 1jut h TRP 61 Ca 0.41 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.34 1jut h TRP 61 Cb 0.31 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1jut h TRP 61 CO -0.00 0.71 -0.30 0.74 -2.79 0.00 0.00 178.44 176.80 1jut h PHE 62 N 0.94 -0.77 -0.10 2.65 0.04 0.20 -2.70 116.94 117.21 1jut h PHE 62 Ca 0.24 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.02 1jut h PHE 62 Cb 0.09 0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1jut h PHE 62 CO 0.00 -0.46 0.24 -0.07 -0.60 0.00 0.00 178.31 177.42 1jut h LEU 63 N -0.86 0.00 -0.11 1.54 3.38 -0.92 0.44 115.31 118.78 1jut h LEU 63 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jut h LEU 63 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jut h LEU 63 CO 0.14 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.45 1jut n GLN 64 N -3.27 0.27 -1.79 1.13 1.13 -0.87 -4.91 117.38 109.07 1jut n GLN 64 Ca -0.00 -0.11 -0.04 0.00 -1.94 0.00 0.00 57.00 54.91 1jut n GLN 64 Cb 0.33 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 1jut n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jut n GLY 65 N 1.42 0.35 3.82 1.08 0.00 0.15 -5.03 105.19 106.98 1jut n GLY 65 Ca 0.09 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1jut n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jut s ASP 66 N -2.87 6.79 0.00 1.61 2.15 -1.04 -4.10 116.67 119.21 1jut s ASP 66 Ca 0.00 0.93 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1jut s ASP 66 Cb 0.00 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1jut s ASP 66 CO 0.00 0.28 0.76 0.35 -0.17 0.00 0.00 175.17 176.39 1jut n THR 67 N 2.09 0.58 -4.33 1.71 -2.24 -1.26 -4.38 114.28 106.46 1jut n THR 67 Ca -0.13 -0.69 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 1jut n THR 67 Cb 0.52 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1jut n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jut s ASN 68 N -0.58 4.99 0.00 3.42 3.84 -1.26 -2.34 114.94 123.01 1jut s ASN 68 Ca 0.00 -0.06 0.12 0.00 0.21 0.00 0.00 52.86 53.12 1jut s ASN 68 Cb 0.00 -1.79 0.67 0.00 -0.55 0.00 0.00 41.25 39.58 1jut s ASN 68 CO 0.00 0.19 1.19 2.30 -2.79 0.00 0.00 177.10 177.99 1jut n ILE 69 N 3.40 0.26 -0.14 -5.21 -5.35 -0.52 -3.73 119.36 108.07 1jut n ILE 69 Ca -0.17 0.06 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1jut n ILE 69 Cb 0.52 -0.88 -0.10 0.00 -1.74 0.00 0.00 39.64 37.45 1jut n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jut h ALA 70 N 2.67 -0.78 -0.66 -1.28 0.00 -1.92 0.24 119.26 117.53 1jut h ALA 70 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1jut h ALA 70 Cb 0.04 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1jut h ALA 70 CO 0.00 -1.05 0.09 -0.92 0.00 0.00 0.00 179.25 177.38 1jut h TYR 71 N -0.39 0.13 -0.94 0.00 3.20 -2.00 0.59 116.97 117.57 1jut h TYR 71 Ca 0.07 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1jut h TYR 71 Cb 0.59 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1jut h TYR 71 CO -0.73 -0.11 0.61 -0.07 -1.64 0.00 0.00 178.16 176.22 1jut h LEU 72 N 0.20 0.99 -0.36 2.82 3.38 -1.33 -1.83 115.31 119.18 1jut h LEU 72 Ca 0.36 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 1jut h LEU 72 Cb 0.59 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jut h LEU 72 CO -0.50 0.66 -0.10 0.45 0.09 0.00 0.00 178.44 179.05 1jut h HIS 73 N 1.14 0.78 -0.50 1.13 3.86 0.93 0.79 115.15 123.29 1jut h HIS 73 Ca 0.38 -0.17 0.14 0.00 -1.16 0.00 0.00 60.37 59.57 1jut h HIS 73 Cb 0.08 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1jut h HIS 73 CO -0.00 0.85 0.52 0.93 0.86 0.00 0.00 177.93 181.10 1jut h GLU 74 N 0.49 0.00 -0.22 2.45 5.08 -0.23 1.62 114.58 123.77 1jut h GLU 74 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1jut h GLU 74 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1jut h GLU 74 CO 0.04 0.00 -0.01 0.09 -1.00 0.00 0.00 179.01 178.12 1jut n ASN 75 N -3.72 3.40 -2.38 1.42 4.13 -0.90 -4.98 115.26 112.24 1jut n ASN 75 Ca 0.09 -3.13 -0.11 0.00 1.68 0.00 0.00 54.58 53.11 1jut n ASN 75 Cb 0.72 -0.53 -0.01 0.00 -1.54 0.00 0.00 39.78 38.42 1jut n ASN 75 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jut n ASN 76 N -0.77 -3.60 -4.63 6.41 2.85 0.55 -4.95 115.26 111.12 1jut n ASN 76 Ca 0.22 0.23 -0.41 0.00 -0.11 0.00 0.00 54.58 54.51 1jut n ASN 76 Cb 0.86 -3.09 -0.06 0.00 1.24 0.00 0.00 39.78 38.73 1jut n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1jut s VAL 77 N -2.52 4.95 -1.96 3.44 1.01 0.27 -4.93 120.40 120.65 1jut s VAL 77 Ca 0.00 1.23 0.21 0.00 0.00 0.00 0.00 61.98 63.42 1jut s VAL 77 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1jut s VAL 77 CO 0.00 0.00 1.04 0.35 0.00 0.00 0.00 175.10 176.49 1jut n THR 78 N 5.21 0.00 -0.24 3.92 -2.24 -1.26 -3.93 114.28 115.73 1jut n THR 78 Ca 0.01 -0.30 0.30 0.00 -2.27 0.00 0.00 64.05 61.80 1jut n THR 78 Cb 0.49 1.26 0.72 0.00 -2.10 0.00 0.00 70.33 70.69 1jut n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1jut h ILE 79 N 2.44 0.50 -0.62 2.28 3.07 -1.97 -2.50 117.51 120.71 1jut h ILE 79 Ca 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1jut h ILE 79 Cb 0.72 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1jut h ILE 79 CO 0.00 0.01 0.00 0.79 -1.05 0.00 0.00 178.15 177.90 1jut n TRP 80 N -4.26 0.82 -0.03 0.16 7.02 -1.26 -4.65 117.44 115.25 1jut n TRP 80 Ca 0.21 -0.50 -0.09 0.00 -1.02 0.00 0.00 57.50 56.11 1jut n TRP 80 Cb 1.06 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.90 1jut n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1jut h ASP 81 N 3.60 -0.17 0.00 -0.99 3.32 -1.80 -2.74 116.42 117.65 1jut h ASP 81 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jut h ASP 81 Cb 0.91 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1jut h ASP 81 CO 0.00 -0.06 0.00 -1.84 -1.72 0.00 0.00 179.24 175.62 1jut n GLU 82 N -5.19 0.05 -0.00 3.56 0.28 -1.26 -2.61 120.64 115.47 1jut n GLU 82 Ca -0.03 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1jut n GLU 82 Cb 0.11 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.47 1jut n GLU 82 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1jut n TRP 83 N -1.03 0.00 -1.96 -1.84 5.03 -1.04 -5.07 117.44 111.53 1jut n TRP 83 Ca 0.01 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.22 1jut n TRP 83 Cb 0.01 -0.05 0.02 0.00 -1.03 0.00 0.00 31.31 30.25 1jut n TRP 83 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1jut s ALA 84 N -2.10 2.73 0.78 6.99 0.00 -1.07 -4.82 121.76 124.27 1jut s ALA 84 Ca -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1jut s ALA 84 Cb 0.01 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1jut s ALA 84 CO 0.07 -0.88 0.55 -0.40 0.00 0.00 0.00 175.76 175.11 1jut n ASP 85 N -2.23 0.34 0.33 0.00 5.68 -0.65 -4.78 116.55 115.24 1jut n ASP 85 Ca 0.08 -1.38 0.19 0.00 -0.50 0.00 0.00 54.79 53.18 1jut n ASP 85 Cb 0.53 -0.40 0.99 0.00 -1.14 0.00 0.00 41.12 41.11 1jut n ASP 85 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jut h GLU 86 N 0.00 0.00 -0.15 0.11 4.11 -1.97 0.34 114.58 117.01 1jut h GLU 86 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1jut h GLU 86 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jut h GLU 86 CO 0.16 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.33 1jut n ASN 87 N -2.94 3.12 0.00 3.06 4.13 -1.26 -4.95 115.26 116.41 1jut n ASN 87 Ca -0.02 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.25 1jut n ASN 87 Cb 0.23 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1jut n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jut n GLY 88 N 1.40 0.61 3.84 7.41 0.00 0.12 -4.91 105.19 113.66 1jut n GLY 88 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1jut n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jut s ASP 89 N -2.10 6.86 -0.00 1.61 1.01 -1.26 -1.44 116.67 121.35 1jut s ASP 89 Ca 0.00 1.26 0.09 0.00 0.71 0.00 0.00 52.55 54.61 1jut s ASP 89 Cb 0.00 -2.36 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 1jut s ASP 89 CO 0.00 -0.07 0.38 0.18 0.21 0.00 0.00 175.17 175.87 1jut n LEU 90 N 0.18 0.41 0.00 1.23 4.77 -0.99 -1.64 117.00 120.96 1jut n LEU 90 Ca 0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1jut n LEU 90 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jut n LEU 90 CO 0.43 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jut n GLY 91 N 1.25 -1.77 2.43 -0.72 0.00 -1.26 -0.89 105.19 104.22 1jut n GLY 91 Ca 0.02 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1jut n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jut n PRO 92 N 0.00 3.72 -0.17 1.61 -0.04 -1.26 -4.79 135.00 134.06 1jut n PRO 92 Ca 0.00 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1jut n PRO 92 Cb 0.00 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 1jut n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jut n VAL 93 N 3.50 0.00 0.00 0.52 0.24 -1.26 -4.47 118.33 116.86 1jut n VAL 93 Ca 0.70 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 63.00 1jut n VAL 93 Cb 0.27 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 1jut n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jut n TYR 94 N -1.70 0.00 -0.26 6.34 4.01 -1.26 -0.40 117.16 123.89 1jut n TYR 94 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1jut n TYR 94 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1jut n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jut h GLY 95 N 0.00 -0.04 0.73 2.72 0.00 -1.78 -0.08 103.07 104.62 1jut h GLY 95 Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 47.33 47.86 1jut h GLY 95 CO 0.00 -0.21 0.65 1.70 0.00 0.00 0.00 176.54 178.68 1jut h LYS 96 N -0.11 1.15 0.00 4.80 1.63 -0.88 -1.80 116.57 121.36 1jut h LYS 96 Ca 0.27 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.88 1jut h LYS 96 Cb 0.57 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1jut h LYS 96 CO -0.78 0.76 -0.59 1.96 -3.45 0.00 0.00 179.45 177.35 1jut h GLN 97 N 1.18 0.00 -0.06 1.90 1.08 -1.05 0.13 115.11 118.30 1jut h GLN 97 Ca 0.44 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.45 1jut h GLN 97 Cb 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1jut h GLN 97 CO -0.18 0.59 -0.68 -1.49 -0.95 0.00 0.00 178.83 176.12 1jut h TRP 98 N 0.00 0.79 0.00 2.96 4.06 -0.48 -3.33 115.95 119.95 1jut h TRP 98 Ca -0.01 -0.39 -0.08 0.00 2.06 0.00 0.00 58.89 60.48 1jut h TRP 98 Cb 1.22 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 1jut h TRP 98 CO 0.00 1.20 -1.99 0.54 -3.56 0.00 0.00 178.44 174.63 1jut n ARG 99 N -4.12 0.66 -2.95 0.49 5.12 -0.73 -1.74 116.66 113.39 1jut n ARG 99 Ca -0.09 -0.13 -0.14 0.00 -1.93 0.00 0.00 57.85 55.55 1jut n ARG 99 Cb 0.70 -1.55 0.01 0.00 -1.16 0.00 0.00 32.46 30.46 1jut n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jut n ALA 100 N -2.35 0.43 -1.96 7.54 0.00 0.03 -3.71 120.51 120.49 1jut n ALA 100 Ca -0.10 -2.34 -0.42 0.00 0.00 0.00 0.00 53.44 50.58 1jut n ALA 100 Cb 0.69 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1jut n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jut s TRP 101 N -0.54 1.87 -0.08 0.00 -0.11 -0.26 -4.60 118.94 115.22 1jut s TRP 101 Ca 0.32 0.16 -0.30 0.00 1.22 0.00 0.00 56.10 57.50 1jut s TRP 101 Cb 0.25 -3.97 -0.03 0.00 -1.50 0.00 0.00 33.47 28.22 1jut s TRP 101 CO -0.13 -3.98 1.26 -1.25 -4.62 0.00 0.00 176.95 168.23 1jut s PRO 102 N 4.26 4.30 0.67 5.86 0.04 -1.26 0.17 135.00 149.05 1jut s PRO 102 Ca 0.76 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 1jut s PRO 102 Cb -0.33 -3.63 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1jut s PRO 102 CO 0.31 -0.55 1.06 0.95 0.04 0.00 0.00 177.00 178.82 1jut s THR 103 N 2.64 4.05 0.41 1.26 -4.23 0.42 -4.95 115.64 115.24 1jut s THR 103 Ca 0.57 0.67 0.09 0.00 -1.18 0.00 0.00 61.69 61.83 1jut s THR 103 Cb -0.25 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.25 1jut s THR 103 CO 0.21 -0.87 2.03 -0.65 -0.54 0.00 0.00 174.62 174.79 1jut h PRO 104 N -0.54 0.53 -0.66 3.99 0.11 -1.96 -2.66 132.00 130.82 1jut h PRO 104 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jut h PRO 104 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jut h PRO 104 CO 0.62 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 1jut n ASP 105 N -4.47 2.05 0.00 -2.05 5.75 -1.26 -4.92 116.55 111.65 1jut n ASP 105 Ca 0.06 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1jut n ASP 105 Cb 0.16 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1jut n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jut n GLY 106 N 0.41 0.58 3.46 6.12 0.00 -1.00 -5.08 105.19 109.68 1jut n GLY 106 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1jut n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jut n ARG 107 N -2.00 0.66 -4.22 1.61 1.74 -1.26 -4.86 116.66 108.33 1jut n ARG 107 Ca 0.00 -2.81 -0.18 0.00 -0.77 0.00 0.00 57.85 54.09 1jut n ARG 107 Cb 0.00 -0.14 -0.13 0.00 -1.02 0.00 0.00 32.46 31.17 1jut n ARG 107 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1jut s HIS 108 N -2.22 1.04 -0.21 -1.55 3.76 -1.26 -0.44 115.29 114.41 1jut s HIS 108 Ca 0.51 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1jut s HIS 108 Cb -0.04 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 1jut s HIS 108 CO 0.32 0.01 0.05 0.42 -0.85 0.00 0.00 174.74 174.69 1jut s ILE 109 N -1.03 4.41 -0.87 0.60 -1.09 0.13 -4.83 121.20 118.51 1jut s ILE 109 Ca -0.02 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.07 1jut s ILE 109 Cb -0.08 -3.01 0.15 0.00 -1.58 0.00 0.00 42.46 37.94 1jut s ILE 109 CO 0.01 0.41 0.98 -0.62 -1.23 0.00 0.00 174.94 174.49 1jut s ASP 110 N 0.95 6.62 0.33 3.58 -1.08 -1.24 -1.10 116.67 124.73 1jut s ASP 110 Ca 0.03 -2.16 0.01 0.00 -0.52 0.00 0.00 52.55 49.91 1jut s ASP 110 Cb -0.14 -2.34 0.57 0.00 -1.46 0.00 0.00 42.92 39.55 1jut s ASP 110 CO 0.03 -0.93 1.99 1.56 0.52 0.00 0.00 175.17 178.34 1jut h GLN 111 N 8.57 0.93 -0.01 4.34 4.20 -1.57 -1.33 115.11 130.23 1jut h GLN 111 Ca 0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1jut h GLN 111 Cb 1.04 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1jut h GLN 111 CO 1.00 0.61 0.00 0.82 -0.67 0.00 0.00 178.83 180.60 1jut h ILE 112 N 0.96 1.20 -1.00 2.54 1.08 -1.88 0.20 117.51 120.61 1jut h ILE 112 Ca 0.26 -0.60 0.10 0.00 -0.39 0.00 0.00 64.86 64.23 1jut h ILE 112 Cb -0.09 1.59 -0.08 0.00 -3.07 0.00 0.00 36.82 35.17 1jut h ILE 112 CO -0.06 0.16 0.64 0.74 -0.69 0.00 0.00 178.15 178.94 1jut h THR 113 N -0.23 0.99 -0.35 -0.27 2.02 -1.83 0.14 112.91 113.38 1jut h THR 113 Ca 0.00 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1jut h THR 113 Cb 0.25 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1jut h THR 113 CO 0.00 0.19 0.12 0.74 0.37 0.00 0.00 175.52 176.95 1jut h THR 114 N 1.07 1.20 -0.44 3.16 2.02 -0.79 -1.58 112.91 117.55 1jut h THR 114 Ca 0.47 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1jut h THR 114 Cb 0.36 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1jut h THR 114 CO -0.23 0.22 0.16 0.58 0.37 0.00 0.00 175.52 176.62 1jut h VAL 115 N 0.42 1.21 -0.68 3.16 2.07 0.77 -0.48 116.25 122.72 1jut h VAL 115 Ca 0.11 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1jut h VAL 115 Cb 0.22 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1jut h VAL 115 CO -0.01 0.25 0.43 -0.07 0.02 0.00 0.00 177.57 178.19 1jut h LEU 116 N 0.57 0.71 -1.34 2.57 -0.00 -0.68 0.49 115.31 117.64 1jut h LEU 116 Ca 0.15 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1jut h LEU 116 Cb 0.23 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1jut h LEU 116 CO -0.01 0.49 -0.31 0.78 -0.00 0.00 0.00 178.44 179.40 1jut h ASN 117 N 0.84 0.00 -0.01 -0.43 -0.26 -0.97 -1.81 115.58 112.95 1jut h ASN 117 Ca 0.27 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.82 1jut h ASN 117 Cb 0.01 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1jut h ASN 117 CO -0.10 0.31 -0.73 1.56 -1.06 0.00 0.00 177.43 177.40 1jut h GLN 118 N 0.00 0.51 -0.40 0.81 4.20 -0.01 -0.94 115.11 119.28 1jut h GLN 118 Ca -0.00 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 1jut h GLN 118 Cb 0.63 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1jut h GLN 118 CO 0.04 1.17 0.17 -0.07 -0.67 0.00 0.00 178.83 179.48 1jut h LEU 119 N 0.06 0.50 0.19 1.46 3.38 -0.69 0.52 115.31 120.74 1jut h LEU 119 Ca -0.09 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.51 1jut h LEU 119 Cb 1.43 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 42.06 1jut h LEU 119 CO 0.14 0.45 -1.51 0.11 0.09 0.00 0.00 178.44 177.72 1jut h LYS 120 N 0.56 0.41 0.00 1.13 1.57 -1.33 -3.33 116.57 115.59 1jut h LYS 120 Ca 0.14 -0.70 -0.06 0.00 -1.87 0.00 0.00 60.65 58.16 1jut h LYS 120 Cb 0.10 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1jut h LYS 120 CO -0.02 1.32 -1.95 0.09 -0.57 0.00 0.00 179.45 178.31 1jut n ASN 121 N -3.61 0.56 -2.88 0.86 4.13 -0.36 -4.78 115.26 109.18 1jut n ASN 121 Ca -0.17 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.97 1jut n ASN 121 Cb 1.07 1.70 0.04 0.00 -1.54 0.00 0.00 39.78 41.06 1jut n ASN 121 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1jut n ASP 122 N -2.27 -0.55 0.29 6.41 2.03 0.18 -4.98 116.55 117.65 1jut n ASP 122 Ca -0.09 -3.12 0.18 0.00 0.52 0.00 0.00 54.79 52.29 1jut n ASP 122 Cb 0.62 0.50 0.95 0.00 -0.72 0.00 0.00 41.12 42.46 1jut n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jut h PRO 123 N 2.85 0.00 0.00 -0.67 0.13 -1.47 -0.32 132.00 132.52 1jut h PRO 123 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1jut h PRO 123 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jut h PRO 123 CO 0.29 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.81 1jut n ASP 124 N -3.29 0.02 -4.52 1.44 8.00 -1.26 -4.17 116.55 112.77 1jut n ASP 124 Ca -0.01 0.50 -0.41 0.00 0.71 0.00 0.00 54.79 55.59 1jut n ASP 124 Cb 0.27 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1jut n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jut n SER 125 N -1.52 -0.10 -0.77 -2.24 2.88 -0.13 -4.88 113.62 106.84 1jut n SER 125 Ca 0.06 0.91 0.08 0.00 -1.33 0.00 0.00 58.87 58.58 1jut n SER 125 Cb 0.28 -1.22 0.22 0.00 -0.75 0.00 0.00 64.21 62.73 1jut n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jut n ARG 126 N 0.18 2.86 -0.26 -1.46 1.74 -1.26 -4.45 116.66 114.01 1jut n ARG 126 Ca 0.11 -2.58 0.08 0.00 -0.77 0.00 0.00 57.85 54.69 1jut n ARG 126 Cb 0.42 -1.65 0.13 0.00 -1.02 0.00 0.00 32.46 30.33 1jut n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jut n ARG 127 N -0.25 1.15 -2.62 5.56 1.74 -1.26 -4.94 116.66 116.03 1jut n ARG 127 Ca 0.18 -2.51 -0.42 0.00 -0.77 0.00 0.00 57.85 54.33 1jut n ARG 127 Cb 0.74 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 1jut n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jut s ILE 128 N -2.52 4.12 0.04 0.55 1.01 -1.26 -4.93 121.20 118.21 1jut s ILE 128 Ca 0.29 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.67 1jut s ILE 128 Cb 0.27 -5.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.64 1jut s ILE 128 CO 0.00 -1.91 -0.11 -0.63 0.00 0.00 0.00 174.94 172.29 1jut s ILE 129 N 4.34 0.82 -0.06 2.92 1.01 -1.26 -0.41 121.20 128.56 1jut s ILE 129 Ca 0.47 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1jut s ILE 129 Cb 0.01 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.69 1jut s ILE 129 CO -0.04 -0.16 -0.15 -0.69 0.00 0.00 0.00 174.94 173.90 1jut s VAL 130 N -1.02 1.36 -0.08 2.92 1.01 -0.13 -4.91 120.40 119.55 1jut s VAL 130 Ca -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1jut s VAL 130 Cb -0.08 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1jut s VAL 130 CO 0.01 0.40 -0.15 -0.55 0.00 0.00 0.00 175.10 174.81 1jut s SER 131 N 0.41 2.14 -0.00 3.32 0.15 -1.26 -1.31 113.70 117.14 1jut s SER 131 Ca -0.12 -0.37 0.22 0.00 0.70 0.00 0.00 55.95 56.38 1jut s SER 131 Cb -0.15 -0.98 -0.15 0.00 -1.71 0.00 0.00 66.02 63.03 1jut s SER 131 CO 0.04 0.05 0.92 0.00 1.20 0.00 0.00 173.24 175.45 1jut n ALA 132 N 3.82 4.40 -2.63 5.45 0.00 0.03 -4.71 120.51 126.87 1jut n ALA 132 Ca -0.21 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 1jut n ALA 132 Cb 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1jut n ALA 132 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jut s TRP 133 N -3.06 2.81 -0.87 0.00 -0.11 -1.16 -4.85 118.94 111.70 1jut s TRP 133 Ca 0.07 -1.48 -0.14 0.00 1.22 0.00 0.00 56.10 55.76 1jut s TRP 133 Cb 0.16 -4.68 0.21 0.00 -1.50 0.00 0.00 33.47 27.67 1jut s TRP 133 CO 0.85 -1.78 0.85 1.21 -4.62 0.00 0.00 176.95 173.46 1jut s ASN 134 N 4.23 6.80 0.34 5.86 3.04 -1.26 -4.93 114.94 129.02 1jut s ASN 134 Ca 0.50 -2.69 0.12 0.00 0.04 0.00 0.00 52.86 50.83 1jut s ASN 134 Cb 0.02 -2.24 1.08 0.00 -1.54 0.00 0.00 41.25 38.57 1jut s ASN 134 CO 0.02 -0.61 1.58 0.58 -3.04 0.00 0.00 177.10 175.62 1jut h VAL 135 N 4.82 0.01 0.00 -5.21 2.07 -2.01 0.32 116.25 116.24 1jut h VAL 135 Ca 0.12 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jut h VAL 135 Cb 1.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1jut h VAL 135 CO 0.82 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.02 1jut n GLY 136 N -1.37 -0.89 0.00 2.17 0.00 -1.26 -3.40 105.19 100.43 1jut n GLY 136 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1jut n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jut n GLU 137 N -1.23 -0.67 -0.13 1.61 1.02 0.11 -4.80 120.64 116.54 1jut n GLU 137 Ca 0.11 -0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 56.85 1jut n GLU 137 Cb 0.14 -0.85 0.02 0.00 -0.02 0.00 0.00 31.44 30.73 1jut n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jut h LEU 138 N 0.00 -0.37 -1.00 -4.62 3.38 -1.50 -0.24 115.31 110.95 1jut h LEU 138 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jut h LEU 138 Cb 0.15 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1jut h LEU 138 CO 0.00 -0.13 0.10 -0.90 0.09 0.00 0.00 178.44 177.60 1jut n ASP 139 N -5.31 0.39 0.00 -0.43 5.75 -1.26 -0.58 116.55 115.12 1jut n ASP 139 Ca 0.03 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.56 1jut n ASP 139 Cb 0.23 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1jut n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jut n LYS 140 N -2.04 0.02 -3.09 0.11 5.02 -0.11 -4.95 118.16 113.13 1jut n LYS 140 Ca -0.01 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1jut n LYS 140 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1jut n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jut s MET 141 N -3.02 4.30 0.38 1.97 -1.94 0.26 -4.38 119.30 116.87 1jut s MET 141 Ca 0.09 0.91 0.09 0.00 -1.71 0.00 0.00 55.69 55.06 1jut s MET 141 Cb 0.16 -2.95 0.75 0.00 2.01 0.00 0.00 34.83 34.80 1jut s MET 141 CO 0.80 0.43 1.90 0.00 -0.01 0.00 0.00 175.02 178.15 1jut h ALA 142 N 3.60 1.47 -2.67 3.03 0.00 -1.32 -3.43 119.26 119.95 1jut h ALA 142 Ca -0.48 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1jut h ALA 142 Cb 1.20 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 1jut h ALA 142 CO 0.65 0.37 -0.23 -1.17 0.00 0.00 0.00 179.25 178.87 1jut s LEU 143 N -8.78 0.49 0.33 0.00 2.96 -1.26 -5.08 118.68 107.33 1jut s LEU 143 Ca -0.06 0.66 -0.28 0.00 -0.22 0.00 0.00 54.13 54.23 1jut s LEU 143 Cb 0.15 1.41 -0.09 0.00 0.50 0.00 0.00 46.19 48.16 1jut s LEU 143 CO 0.74 -0.23 1.11 0.00 -1.32 0.00 0.00 176.35 176.65 1jut s ALA 144 N -0.18 3.31 0.21 5.97 0.00 -1.26 -4.95 121.76 124.87 1jut s ALA 144 Ca -0.03 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1jut s ALA 144 Cb -0.03 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 1jut s ALA 144 CO 0.02 -0.25 1.16 -2.30 0.00 0.00 0.00 175.76 174.39 1jut n PRO 145 N 0.74 1.35 -0.10 0.00 -0.02 -1.26 -4.91 135.00 130.79 1jut n PRO 145 Ca 0.01 0.48 -0.18 0.00 -2.02 0.00 0.00 63.50 61.79 1jut n PRO 145 Cb 0.46 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 1jut n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jut s HIS 147 N -2.50 2.56 -0.14 0.00 0.00 -1.26 -1.83 115.29 112.12 1jut s HIS 147 Ca -0.29 -0.37 0.18 0.00 -3.00 0.00 0.00 55.06 51.59 1jut s HIS 147 Cb 0.07 -4.38 -0.25 0.00 -4.00 0.00 0.00 32.58 24.02 1jut s HIS 147 CO 0.44 -1.76 0.30 0.00 -1.00 0.00 0.00 174.74 172.73 1jut n ALA 148 N 8.19 1.80 -3.69 -1.38 0.00 -1.00 -4.83 120.51 119.59 1jut n ALA 148 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 53.44 52.29 1jut n ALA 148 Cb 0.47 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 1jut n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jut s PHE 149 N -2.75 -0.59 0.02 0.00 2.19 -1.17 -0.79 117.98 114.90 1jut s PHE 149 Ca -0.08 1.25 0.01 0.00 0.33 0.00 0.00 56.93 58.43 1jut s PHE 149 Cb 0.08 0.23 -0.02 0.00 -1.31 0.00 0.00 43.02 42.00 1jut s PHE 149 CO 0.84 -0.35 -0.04 -0.59 1.83 0.00 0.00 175.22 176.91 1jut s PHE 150 N 1.64 0.38 0.04 10.12 -0.71 -0.43 -0.20 117.98 128.81 1jut s PHE 150 Ca -0.08 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.41 1jut s PHE 150 Cb -0.09 -0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.45 1jut s PHE 150 CO -0.12 -0.13 -0.17 -1.14 -1.34 0.00 0.00 175.22 172.31 1jut s GLN 151 N -1.33 1.18 0.23 1.99 0.74 -0.24 -0.95 119.66 121.28 1jut s GLN 151 Ca -0.12 -0.83 0.07 0.00 0.05 0.00 0.00 55.36 54.53 1jut s GLN 151 Cb -0.09 -1.24 -0.04 0.00 1.10 0.00 0.00 33.01 32.75 1jut s GLN 151 CO -0.00 0.31 0.17 -0.06 -0.55 0.00 0.00 175.29 175.16 1jut s PHE 152 N -0.79 3.09 -0.14 1.67 0.08 0.45 -0.51 117.98 121.84 1jut s PHE 152 Ca 0.05 -0.10 -0.18 0.00 0.12 0.00 0.00 56.93 56.82 1jut s PHE 152 Cb -0.08 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1jut s PHE 152 CO 0.01 0.53 0.48 -0.47 -0.10 0.00 0.00 175.22 175.67 1jut s TYR 153 N -2.06 -0.50 -0.05 0.36 6.14 -0.58 -4.58 117.35 116.09 1jut s TYR 153 Ca 0.32 1.13 0.04 0.00 0.64 0.00 0.00 57.07 59.20 1jut s TYR 153 Cb -0.08 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.49 1jut s TYR 153 CO 0.24 -0.32 -0.15 0.08 0.64 0.00 0.00 175.55 176.04 1jut s VAL 154 N -0.14 1.31 -0.24 3.14 1.01 -1.26 -0.03 120.40 124.20 1jut s VAL 154 Ca -0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1jut s VAL 154 Cb -0.03 -1.15 0.07 0.00 0.00 0.00 0.00 36.38 35.27 1jut s VAL 154 CO 0.02 0.39 0.58 0.00 0.00 0.00 0.00 175.10 176.09 1jut s ALA 155 N 0.21 -1.57 -1.48 5.51 0.00 -0.72 -4.84 121.76 118.88 1jut s ALA 155 Ca -0.07 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.87 1jut s ALA 155 Cb -0.12 -1.25 0.06 0.00 0.00 0.00 0.00 23.12 21.81 1jut s ALA 155 CO 0.03 -0.35 0.93 -0.25 0.00 0.00 0.00 175.76 176.12 1jut n ASP 156 N 4.33 -4.12 0.00 0.00 8.00 -1.26 -1.43 116.55 122.08 1jut n ASP 156 Ca -0.21 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1jut n ASP 156 Cb 0.57 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1jut n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jut n GLY 157 N -1.69 0.46 3.70 0.44 0.00 -1.26 -4.99 105.19 101.85 1jut n GLY 157 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jut n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jut s LYS 158 N -0.57 2.83 -0.26 1.61 1.02 -0.51 -0.74 119.74 123.13 1jut s LYS 158 Ca 0.00 -0.60 -0.07 0.00 0.02 0.00 0.00 55.97 55.32 1jut s LYS 158 Cb 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1jut s LYS 158 CO 0.00 0.63 0.08 -1.17 -0.92 0.00 0.00 175.35 173.96 1jut s LEU 159 N -1.63 3.51 0.39 3.17 2.96 0.22 -1.76 118.68 125.54 1jut s LEU 159 Ca 0.21 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1jut s LEU 159 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1jut s LEU 159 CO 0.11 -0.05 0.20 -0.44 -1.32 0.00 0.00 176.35 174.84 1jut s SER 160 N 1.61 4.61 -0.21 3.68 0.01 0.96 0.71 113.70 125.07 1jut s SER 160 Ca 0.06 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.28 1jut s SER 160 Cb -0.15 -0.58 0.06 0.00 0.21 0.00 0.00 66.02 65.56 1jut s SER 160 CO 0.04 -0.47 0.52 0.00 0.41 0.00 0.00 173.24 173.74 1jut s GLN 162 N 1.28 2.97 -0.03 0.00 0.74 0.34 -0.37 119.66 124.59 1jut s GLN 162 Ca -0.08 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.57 1jut s GLN 162 Cb -0.06 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 1jut s GLN 162 CO -0.13 0.31 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.67 1jut s LEU 163 N 0.06 3.12 -0.30 3.68 2.96 0.23 -1.08 118.68 127.36 1jut s LEU 163 Ca -0.08 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1jut s LEU 163 Cb -0.15 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1jut s LEU 163 CO 0.05 0.32 0.02 -0.47 -1.32 0.00 0.00 176.35 174.96 1jut s TYR 164 N -0.90 3.22 -0.37 5.38 5.04 0.71 -0.95 117.35 129.48 1jut s TYR 164 Ca 0.15 -1.63 -0.10 0.00 -2.44 0.00 0.00 57.07 53.05 1jut s TYR 164 Cb -0.11 -2.16 0.04 0.00 0.35 0.00 0.00 41.96 40.08 1jut s TYR 164 CO 0.04 -0.75 0.19 -1.14 -1.34 0.00 0.00 175.55 172.55 1jut s GLN 165 N 1.32 2.73 0.40 4.97 0.74 0.12 -2.39 119.66 127.57 1jut s GLN 165 Ca -0.03 -1.17 0.18 0.00 0.05 0.00 0.00 55.36 54.39 1jut s GLN 165 Cb -0.19 -3.67 0.86 0.00 1.10 0.00 0.00 33.01 31.11 1jut s GLN 165 CO -0.00 -0.73 1.85 0.07 -0.55 0.00 0.00 175.29 175.92 1jut h ARG 166 N 8.38 0.00 -3.55 1.67 -0.00 -1.65 0.86 114.38 120.08 1jut h ARG 166 Ca -0.24 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.44 1jut h ARG 166 Cb 1.09 0.00 -0.33 0.00 -0.00 0.00 0.00 29.97 30.73 1jut h ARG 166 CO 0.66 0.32 -0.73 0.45 -0.00 0.00 0.00 179.97 180.68 1jut s SER 167 N -6.62 0.08 -0.09 0.08 0.15 -1.26 -1.21 113.70 104.84 1jut s SER 167 Ca -0.02 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1jut s SER 167 Cb 0.13 -0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1jut s SER 167 CO 0.68 -0.12 0.03 0.00 1.20 0.00 0.00 173.24 175.04 1jut s ASP 169 N 2.03 6.17 0.25 0.00 -1.08 -1.26 -0.75 116.67 122.03 1jut s ASP 169 Ca 0.04 -0.81 -0.03 0.00 -0.52 0.00 0.00 52.55 51.23 1jut s ASP 169 Cb -0.13 -2.47 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 1jut s ASP 169 CO -0.05 -1.57 1.79 0.58 0.52 0.00 0.00 175.17 176.43 1jut h VAL 170 N 5.99 0.84 0.06 1.11 2.07 -1.33 -1.75 116.25 123.25 1jut h VAL 170 Ca -0.29 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jut h VAL 170 Cb 1.06 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jut h VAL 170 CO 1.21 0.13 -0.03 0.15 0.02 0.00 0.00 177.57 179.06 1jut h PHE 171 N 0.72 -0.08 0.00 1.57 3.04 -1.91 -3.35 116.94 116.93 1jut h PHE 171 Ca 0.42 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.36 1jut h PHE 171 Cb 0.46 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1jut h PHE 171 CO -0.08 0.52 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.52 1jut h LEU 172 N -0.82 0.00 -0.25 0.59 3.38 -1.96 -3.43 115.31 112.84 1jut h LEU 172 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jut h LEU 172 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1jut h LEU 172 CO 0.01 0.46 -0.15 1.23 0.09 0.00 0.00 178.44 180.08 1jut h GLY 173 N -0.78 0.58 0.05 0.83 0.00 -1.61 -3.37 103.07 98.78 1jut h GLY 173 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.87 1jut h GLY 173 CO 0.00 0.50 -0.18 -2.00 0.00 0.00 0.00 176.54 174.86 1jut h LEU 174 N 0.25 -0.62 -1.76 3.11 5.85 -1.49 0.24 115.31 120.90 1jut h LEU 174 Ca 0.05 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1jut h LEU 174 Cb 0.67 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1jut h LEU 174 CO 0.04 -0.21 0.32 -0.65 -0.34 0.00 0.00 178.44 177.60 1jut h PRO 175 N -0.11 0.28 0.18 5.25 0.11 -1.76 0.05 132.00 136.00 1jut h PRO 175 Ca 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1jut h PRO 175 Cb 0.41 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1jut h PRO 175 CO -0.47 0.18 -0.09 0.35 -0.21 0.00 0.00 178.00 177.77 1jut h PHE 176 N 0.28 -0.23 -1.00 0.65 3.04 -1.32 -3.11 116.94 115.26 1jut h PHE 176 Ca 0.21 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.19 1jut h PHE 176 Cb 0.47 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.00 1jut h PHE 176 CO -0.00 0.19 0.65 -0.91 -2.02 0.00 0.00 178.31 176.22 1jut h ASN 177 N -0.86 1.09 0.11 0.41 -0.26 -0.01 -2.06 115.58 113.99 1jut h ASN 177 Ca -0.03 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1jut h ASN 177 Cb 0.52 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1jut h ASN 177 CO 0.04 0.74 -0.05 0.40 -1.06 0.00 0.00 177.43 177.50 1jut h ILE 178 N 1.26 0.97 -0.27 2.81 2.04 -1.10 -2.57 117.51 120.64 1jut h ILE 178 Ca 0.40 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1jut h ILE 178 Cb 0.00 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1jut h ILE 178 CO -0.12 0.07 0.10 0.00 0.00 0.00 0.00 178.15 178.19 1jut h ALA 179 N 0.61 1.66 0.07 1.87 0.00 -1.45 -1.86 119.26 120.17 1jut h ALA 179 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jut h ALA 179 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jut h ALA 179 CO 0.02 0.27 -0.03 1.03 0.00 0.00 0.00 179.25 180.54 1jut h SER 180 N 0.38 -0.08 0.84 0.00 0.87 -1.12 -0.97 113.55 113.47 1jut h SER 180 Ca 0.10 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1jut h SER 180 Cb 0.10 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1jut h SER 180 CO -0.01 0.07 -0.54 1.88 -0.53 0.00 0.00 176.83 177.70 1jut h TYR 181 N -0.23 0.00 -0.48 2.24 -1.99 -1.28 -1.81 116.97 113.42 1jut h TYR 181 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1jut h TYR 181 Cb 0.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1jut h TYR 181 CO -0.03 0.54 0.18 0.00 -0.00 0.00 0.00 178.16 178.85 1jut h ALA 182 N 1.46 0.62 0.19 3.88 0.00 -1.20 -1.30 119.26 122.92 1jut h ALA 182 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jut h ALA 182 Cb 1.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1jut h ALA 182 CO 0.07 0.24 -0.20 1.25 0.00 0.00 0.00 179.25 180.61 1jut h LEU 183 N 0.63 -0.55 -0.85 0.00 7.12 -0.90 -2.04 115.31 118.72 1jut h LEU 183 Ca 0.16 0.05 0.14 0.00 0.13 0.00 0.00 57.88 58.36 1jut h LEU 183 Cb 0.22 0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 40.45 1jut h LEU 183 CO -0.01 -0.30 0.45 0.25 -0.13 0.00 0.00 178.44 178.70 1jut h LEU 184 N -0.43 0.57 -0.59 2.25 5.85 -1.06 -0.25 115.31 121.65 1jut h LEU 184 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1jut h LEU 184 Cb 0.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1jut h LEU 184 CO -0.06 0.26 0.39 0.58 -0.34 0.00 0.00 178.44 179.27 1jut h VAL 185 N 0.67 1.15 -0.54 1.05 2.07 -0.87 0.15 116.25 119.93 1jut h VAL 185 Ca 0.46 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1jut h VAL 185 Cb 0.61 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jut h VAL 185 CO -0.34 0.15 0.25 0.45 0.02 0.00 0.00 177.57 178.09 1jut h HIS 186 N 0.80 0.74 -0.10 1.57 3.86 -0.37 0.10 115.15 121.75 1jut h HIS 186 Ca 0.22 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 1jut h HIS 186 Cb -0.09 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1jut h HIS 186 CO -0.03 0.56 -0.26 0.52 0.86 0.00 0.00 177.93 179.57 1jut h MET 187 N 0.75 0.35 -0.08 2.45 2.07 -0.40 -2.30 114.93 117.77 1jut h MET 187 Ca 0.19 -0.24 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 1jut h MET 187 Cb 0.10 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1jut h MET 187 CO -0.02 0.86 0.03 0.52 1.07 0.00 0.00 176.91 179.36 1jut h MET 188 N -0.10 0.07 -0.67 1.72 2.86 -0.39 -1.22 114.93 117.20 1jut h MET 188 Ca -0.00 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1jut h MET 188 Cb 0.87 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 1jut h MET 188 CO 0.06 0.04 0.34 0.00 1.06 0.00 0.00 176.91 178.41 1jut h ALA 189 N 1.05 0.90 -0.22 6.32 0.00 -0.84 -0.23 119.26 126.24 1jut h ALA 189 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jut h ALA 189 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jut h ALA 189 CO -0.04 -0.03 0.09 0.37 0.00 0.00 0.00 179.25 179.64 1jut h GLN 190 N 0.60 0.33 0.00 0.00 4.15 -1.01 0.41 115.11 119.59 1jut h GLN 190 Ca 0.31 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1jut h GLN 190 Cb 0.28 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1jut h GLN 190 CO -0.23 0.37 0.00 1.04 -1.93 0.00 0.00 178.83 178.08 1jut n GLN 191 N -4.82 0.15 -0.00 1.69 1.13 -0.49 -2.17 117.38 112.85 1jut n GLN 191 Ca -0.03 0.47 0.01 0.00 -1.94 0.00 0.00 57.00 55.50 1jut n GLN 191 Cb 0.12 -1.84 0.01 0.00 0.11 0.00 0.00 30.24 28.64 1jut n GLN 191 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jut n ASP 193 N -0.55 -2.96 -4.54 0.00 8.00 0.11 -4.98 116.55 111.64 1jut n ASP 193 Ca 0.01 -0.83 -0.25 0.00 0.71 0.00 0.00 54.79 54.42 1jut n ASP 193 Cb 0.27 -3.78 -0.10 0.00 -0.02 0.00 0.00 41.12 37.49 1jut n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jut s LEU 194 N -7.04 2.73 0.38 0.64 1.43 0.61 -5.02 118.68 112.42 1jut s LEU 194 Ca 0.37 -1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1jut s LEU 194 Cb -0.19 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1jut s LEU 194 CO 0.84 -0.13 0.68 -1.61 0.23 0.00 0.00 176.35 176.36 1jut s GLU 195 N -3.60 3.65 0.25 1.70 0.41 0.09 -4.40 118.70 116.80 1jut s GLU 195 Ca 0.32 0.18 -0.30 0.00 -0.41 0.00 0.00 54.97 54.77 1jut s GLU 195 Cb -0.00 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.76 1jut s GLU 195 CO 0.16 0.02 0.96 0.14 -0.49 0.00 0.00 175.26 176.06 1jut s VAL 196 N -2.36 3.99 0.00 2.63 -7.23 -1.26 0.70 120.40 116.87 1jut s VAL 196 Ca 0.47 1.98 0.00 0.00 -1.81 0.00 0.00 61.98 62.62 1jut s VAL 196 Cb -0.10 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.59 1jut s VAL 196 CO 0.34 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 176.19 1jut n GLY 197 N 1.37 1.01 3.80 2.32 0.00 0.22 -4.59 105.19 109.32 1jut n GLY 197 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1jut n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jut s ASP 198 N -0.22 5.66 -0.29 1.61 1.01 -1.26 -1.28 116.67 121.90 1jut s ASP 198 Ca 0.00 0.01 -0.03 0.00 0.71 0.00 0.00 52.55 53.24 1jut s ASP 198 Cb 0.00 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.42 1jut s ASP 198 CO 0.00 0.15 -0.00 0.12 0.21 0.00 0.00 175.17 175.64 1jut s PHE 199 N -1.49 3.18 -0.24 4.23 5.36 0.14 -1.15 117.98 128.00 1jut s PHE 199 Ca 0.30 -1.60 -0.10 0.00 -0.96 0.00 0.00 56.93 54.57 1jut s PHE 199 Cb -0.12 -2.12 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 1jut s PHE 199 CO 0.23 -0.74 0.16 0.08 -1.46 0.00 0.00 175.22 173.49 1jut s VAL 200 N 1.32 5.33 -0.20 3.12 1.01 0.50 -1.04 120.40 130.45 1jut s VAL 200 Ca -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1jut s VAL 200 Cb -0.18 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1jut s VAL 200 CO -0.01 0.34 -0.00 0.86 0.00 0.00 0.00 175.10 176.28 1jut s TRP 201 N 1.12 3.04 -0.07 5.22 -0.00 0.07 -0.60 118.94 127.73 1jut s TRP 201 Ca 0.07 -0.46 0.04 0.00 -0.00 0.00 0.00 56.10 55.75 1jut s TRP 201 Cb -0.14 -2.08 -0.00 0.00 -0.00 0.00 0.00 33.47 31.25 1jut s TRP 201 CO 0.05 -0.24 -0.20 0.99 -0.00 0.00 0.00 176.95 177.55 1jut s THR 202 N 0.99 1.70 0.16 5.86 2.01 -0.13 -0.25 115.64 125.98 1jut s THR 202 Ca 0.02 -0.84 0.10 0.00 0.31 0.00 0.00 61.69 61.27 1jut s THR 202 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1jut s THR 202 CO 0.02 0.48 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.37 1jut s GLY 203 N 0.17 1.51 0.00 4.40 0.00 -0.32 0.16 107.32 113.23 1jut s GLY 203 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1jut s GLY 203 CO 0.05 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1jut n GLY 204 N 0.53 0.75 3.56 0.20 0.00 0.30 -2.81 105.19 107.72 1jut n GLY 204 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1jut n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jut s ASP 205 N -1.00 6.07 -0.29 1.61 -1.08 -0.35 -1.69 116.67 119.94 1jut s ASP 205 Ca 0.00 0.03 -0.09 0.00 -0.52 0.00 0.00 52.55 51.98 1jut s ASP 205 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1jut s ASP 205 CO 0.00 -1.81 0.12 -0.89 0.52 0.00 0.00 175.17 173.11 1jut s THR 206 N 6.21 4.44 0.36 1.71 2.01 -0.33 -1.20 115.64 128.83 1jut s THR 206 Ca 0.47 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1jut s THR 206 Cb -0.10 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1jut s THR 206 CO 0.21 0.15 0.12 -1.38 -0.69 0.00 0.00 174.62 173.04 1jut s HIS 207 N 1.60 1.77 -0.09 4.92 -3.43 0.07 -1.73 115.29 118.40 1jut s HIS 207 Ca 0.05 -1.23 -0.02 0.00 -0.80 0.00 0.00 55.06 53.06 1jut s HIS 207 Cb -0.16 -1.10 0.04 0.00 -1.43 0.00 0.00 32.58 29.92 1jut s HIS 207 CO 0.05 -0.29 0.02 -1.17 -2.00 0.00 0.00 174.74 171.35 1jut s LEU 208 N -3.51 0.60 0.37 5.38 2.96 -0.57 -0.75 118.68 123.16 1jut s LEU 208 Ca 0.30 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.73 1jut s LEU 208 Cb 0.05 -0.41 -0.09 0.00 0.50 0.00 0.00 46.19 46.24 1jut s LEU 208 CO 0.15 -0.23 1.21 -0.31 -1.32 0.00 0.00 176.35 175.85 1jut s TYR 209 N 2.00 3.09 0.31 5.38 2.02 -1.26 -1.21 117.35 127.66 1jut s TYR 209 Ca 0.04 1.52 0.07 0.00 -0.37 0.00 0.00 57.07 58.33 1jut s TYR 209 Cb -0.13 -3.47 0.77 0.00 -0.40 0.00 0.00 41.96 38.72 1jut s TYR 209 CO -0.06 -1.44 1.76 0.66 -1.57 0.00 0.00 175.55 174.90 1jut h SER 210 N 2.92 0.74 -0.15 2.29 4.64 -1.61 -0.62 113.55 121.77 1jut h SER 210 Ca -0.49 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1jut h SER 210 Cb 1.23 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1jut h SER 210 CO 0.64 0.23 0.09 -0.46 -0.87 0.00 0.00 176.83 176.45 1jut n ASN 211 N -4.81 2.86 0.00 4.97 6.94 -1.26 -3.16 115.26 120.80 1jut n ASN 211 Ca 0.24 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 1jut n ASN 211 Cb 0.61 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1jut n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jut n HIS 212 N 0.21 0.00 -0.15 -2.53 8.25 -0.24 -4.76 115.22 116.00 1jut n HIS 212 Ca 0.09 -0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1jut n HIS 212 Cb 0.63 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.80 1jut n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jut h MET 213 N 0.00 0.32 0.73 -0.41 2.86 -1.65 0.40 114.93 117.18 1jut h MET 213 Ca 0.00 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1jut h MET 213 Cb 0.20 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1jut h MET 213 CO 0.00 0.21 -0.36 -0.44 1.06 0.00 0.00 176.91 177.38 1jut h ASP 214 N 0.32 -0.85 0.54 1.22 3.32 -1.88 -0.07 116.42 119.02 1jut h ASP 214 Ca 0.23 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1jut h ASP 214 Cb 0.26 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jut h ASP 214 CO -0.25 -0.60 0.00 0.06 -1.72 0.00 0.00 179.24 176.73 1jut h GLN 215 N -0.99 0.00 -0.01 3.56 -0.00 -1.88 0.06 115.11 115.84 1jut h GLN 215 Ca -0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.45 1jut h GLN 215 Cb 0.76 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.25 1jut h GLN 215 CO 0.16 0.00 -0.37 1.15 -0.00 0.00 0.00 178.83 179.77 1jut h THR 216 N 0.00 1.50 -0.61 1.86 2.02 -0.57 -1.72 112.91 115.38 1jut h THR 216 Ca 0.00 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 1jut h THR 216 Cb 0.27 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 1jut h THR 216 CO 0.00 0.55 0.38 0.45 0.37 0.00 0.00 175.52 177.27 1jut h HIS 217 N -0.34 0.79 -0.65 3.16 3.86 -0.37 -0.16 115.15 121.44 1jut h HIS 217 Ca -0.04 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1jut h HIS 217 Cb 1.10 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 29.26 1jut h HIS 217 CO 0.16 0.53 0.37 1.25 0.86 0.00 0.00 177.93 181.11 1jut h LEU 218 N 0.83 0.58 -1.06 2.43 5.85 -1.03 -2.14 115.31 120.77 1jut h LEU 218 Ca 0.22 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 1jut h LEU 218 Cb -0.05 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1jut h LEU 218 CO -0.04 0.39 -0.39 -0.61 -0.34 0.00 0.00 178.44 177.44 1jut h GLN 219 N 0.71 0.15 0.00 1.25 4.15 -0.52 -2.59 115.11 118.26 1jut h GLN 219 Ca 0.28 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1jut h GLN 219 Cb 0.12 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1jut h GLN 219 CO -0.15 0.52 0.00 -0.07 -1.93 0.00 0.00 178.83 177.20 1jut h LEU 220 N 0.13 0.00 0.00 -2.39 3.38 -0.39 -2.85 115.31 113.19 1jut h LEU 220 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jut h LEU 220 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1jut h LEU 220 CO 0.06 0.00 -0.04 -1.20 0.09 0.00 0.00 178.44 177.35 1jut n SER 221 N -2.50 0.67 -4.86 -0.43 7.64 -0.98 -4.88 113.62 108.28 1jut n SER 221 Ca 0.02 0.53 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 1jut n SER 221 Cb 0.28 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 1jut n SER 221 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jut s ARG 222 N -3.09 3.82 -0.12 1.43 0.52 -1.08 -5.06 118.95 115.37 1jut s ARG 222 Ca 0.11 0.26 -0.24 0.00 -0.52 0.00 0.00 55.73 55.34 1jut s ARG 222 Cb 0.14 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1jut s ARG 222 CO 0.59 0.51 0.75 -2.00 0.02 0.00 0.00 175.30 175.18 1jut s GLU 223 N -2.03 4.35 0.52 3.54 2.56 -1.26 -5.00 118.70 121.38 1jut s GLU 223 Ca 0.36 0.92 -0.22 0.00 0.00 0.00 0.00 54.97 56.03 1jut s GLU 223 Cb -0.14 -3.52 -0.06 0.00 2.00 0.00 0.00 34.13 32.42 1jut s GLU 223 CO 0.19 -0.14 1.27 -1.25 -0.56 0.00 0.00 175.26 174.77 1jut s PRO 224 N 1.52 3.37 0.35 4.30 0.04 -1.26 -4.79 135.00 138.52 1jut s PRO 224 Ca 0.37 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.52 1jut s PRO 224 Cb -0.17 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1jut s PRO 224 CO 0.15 -0.94 0.03 1.03 0.04 0.00 0.00 177.00 177.31 1jut s ARG 225 N -2.86 2.09 0.34 4.56 0.52 -1.26 -5.05 118.95 117.29 1jut s ARG 225 Ca 0.69 -1.77 -0.26 0.00 -0.52 0.00 0.00 55.73 53.87 1jut s ARG 225 Cb -0.35 -1.93 -0.13 0.00 0.52 0.00 0.00 34.95 33.07 1jut s ARG 225 CO 0.41 0.10 0.98 -2.30 0.02 0.00 0.00 175.30 174.52 1jut n PRO 226 N -0.99 1.32 -2.43 3.54 -0.02 -1.26 -4.87 135.00 130.29 1jut n PRO 226 Ca -0.04 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 1jut n PRO 226 Cb 0.63 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1jut n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jut s LEU 227 N 0.22 4.27 1.22 2.45 1.43 -1.26 -4.74 118.68 122.27 1jut s LEU 227 Ca 0.60 2.21 -0.20 0.00 -1.03 0.00 0.00 54.13 55.71 1jut s LEU 227 Cb -0.65 -3.98 0.30 0.00 0.03 0.00 0.00 46.19 41.89 1jut s LEU 227 CO 0.59 -0.47 1.13 -2.16 0.23 0.00 0.00 176.35 175.67 1jut s PRO 228 N -2.15 -1.42 0.02 1.29 0.04 -1.26 -4.74 135.00 126.78 1jut s PRO 228 Ca 0.54 -0.22 0.06 0.00 0.04 0.00 0.00 61.00 61.42 1jut s PRO 228 Cb -0.28 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1jut s PRO 228 CO 0.35 -3.81 -0.19 0.15 0.04 0.00 0.00 177.00 173.53 1jut s LYS 229 N -5.55 1.42 -0.15 4.56 3.01 0.58 -1.66 119.74 121.95 1jut s LYS 229 Ca 0.72 -0.81 -0.08 0.00 -1.01 0.00 0.00 55.97 54.79 1jut s LYS 229 Cb -0.07 -1.45 -0.04 0.00 -1.01 0.00 0.00 37.83 35.25 1jut s LYS 229 CO 0.55 0.38 0.13 -1.17 0.51 0.00 0.00 175.35 175.75 1jut s LEU 230 N -0.86 4.28 -0.09 3.17 2.96 -1.26 -0.11 118.68 126.77 1jut s LEU 230 Ca 0.07 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1jut s LEU 230 Cb -0.08 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1jut s LEU 230 CO 0.01 0.32 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.55 1jut s ILE 231 N -0.52 1.59 -0.43 6.68 1.09 0.16 -4.99 121.20 124.78 1jut s ILE 231 Ca 0.12 -0.74 -0.11 0.00 -1.10 0.00 0.00 60.65 58.82 1jut s ILE 231 Cb -0.12 -1.41 0.08 0.00 -1.06 0.00 0.00 42.46 39.95 1jut s ILE 231 CO 0.02 0.46 0.29 -0.63 -0.10 0.00 0.00 174.94 174.98 1jut s ILE 232 N 0.56 4.50 0.25 2.92 1.01 -1.26 -0.40 121.20 128.78 1jut s ILE 232 Ca -0.15 -1.30 0.32 0.00 0.00 0.00 0.00 60.65 59.52 1jut s ILE 232 Cb -0.17 -3.73 0.35 0.00 0.01 0.00 0.00 42.46 38.93 1jut s ILE 232 CO 0.05 -0.52 2.02 0.11 0.00 0.00 0.00 174.94 176.61 1jut h LYS 233 N 8.50 0.00 -4.19 2.79 1.79 -0.98 -3.44 116.57 121.03 1jut h LYS 233 Ca -0.24 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.94 1jut h LYS 233 Cb 1.09 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.47 1jut h LYS 233 CO 0.79 0.07 -0.74 0.50 -1.08 0.00 0.00 179.45 178.99 1jut s ARG 234 N -3.83 0.33 -0.60 3.15 3.52 -1.26 -5.09 118.95 115.17 1jut s ARG 234 Ca -0.01 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.24 1jut s ARG 234 Cb 0.11 -0.26 0.16 0.00 -1.56 0.00 0.00 34.95 33.39 1jut s ARG 234 CO 0.55 0.07 0.49 0.21 -0.81 0.00 0.00 175.30 175.81 1jut s LYS 235 N -0.40 2.84 0.84 5.12 2.20 -1.26 -5.00 119.74 124.08 1jut s LYS 235 Ca -0.01 -2.10 -0.13 0.00 -0.36 0.00 0.00 55.97 53.37 1jut s LYS 235 Cb -0.03 -4.06 0.09 0.00 -1.51 0.00 0.00 37.83 32.32 1jut s LYS 235 CO -0.00 -1.23 1.11 -2.30 -0.36 0.00 0.00 175.35 172.57 1jut n PRO 236 N 4.41 0.02 -0.01 4.03 -0.02 -1.26 -4.91 135.00 137.26 1jut n PRO 236 Ca 0.00 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 1jut n PRO 236 Cb 0.42 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 31.95 1jut n PRO 236 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jut n GLU 237 N -3.26 1.06 -3.55 -0.52 0.28 -1.26 -4.80 120.64 108.58 1jut n GLU 237 Ca 0.13 -0.09 -0.11 0.00 -0.16 0.00 0.00 57.16 56.93 1jut n GLU 237 Cb 0.51 -1.24 -0.04 0.00 1.43 0.00 0.00 31.44 32.10 1jut n GLU 237 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1jut s SER 238 N -1.45 -0.41 0.00 -1.84 1.04 -1.26 -5.02 113.70 104.76 1jut s SER 238 Ca 0.22 0.33 0.11 0.00 0.48 0.00 0.00 55.95 57.09 1jut s SER 238 Cb 0.10 0.36 0.58 0.00 0.10 0.00 0.00 66.02 67.17 1jut s SER 238 CO 0.17 -0.47 1.17 0.00 0.98 0.00 0.00 173.24 175.10 1jut n ILE 239 N 0.47 0.44 0.33 -1.02 3.06 -1.26 -1.17 119.36 120.20 1jut n ILE 239 Ca -0.11 0.11 0.11 0.00 -2.50 0.00 0.00 62.75 60.35 1jut n ILE 239 Cb 0.59 -0.94 0.18 0.00 0.54 0.00 0.00 39.64 40.01 1jut n ILE 239 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1jut n PHE 240 N -1.17 0.40 -0.00 9.51 3.72 -1.26 -4.38 117.46 124.28 1jut n PHE 240 Ca 0.06 -0.23 0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1jut n PHE 240 Cb 0.06 -0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.79 1jut n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jut n ASP 241 N 1.29 3.14 -4.78 4.37 8.00 -0.32 -4.99 116.55 123.27 1jut n ASP 241 Ca 0.17 -1.92 -0.33 0.00 0.71 0.00 0.00 54.79 53.42 1jut n ASP 241 Cb 0.55 -0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1jut n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jut s TYR 242 N -1.11 2.72 0.02 1.24 1.51 -1.26 -4.86 117.35 115.61 1jut s TYR 242 Ca 0.31 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.90 1jut s TYR 242 Cb 0.17 -3.13 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 1jut s TYR 242 CO 0.23 -1.54 -0.01 1.03 -1.11 0.00 0.00 175.55 174.14 1jut s ARG 243 N -4.08 0.36 0.35 -0.62 0.52 -1.26 -5.05 118.95 109.17 1jut s ARG 243 Ca 0.66 -0.66 0.16 0.00 -0.52 0.00 0.00 55.73 55.37 1jut s ARG 243 Cb -0.19 0.13 1.16 0.00 0.52 0.00 0.00 34.95 36.57 1jut s ARG 243 CO 0.40 -0.06 1.61 0.35 0.02 0.00 0.00 175.30 177.62 1jut h PHE 244 N 4.45 0.73 0.00 -0.53 3.57 -1.96 0.23 116.94 123.42 1jut h PHE 244 Ca -0.32 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jut h PHE 244 Cb 1.20 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1jut h PHE 244 CO 0.64 -0.36 0.00 0.93 -2.23 0.00 0.00 178.31 177.29 1jut h GLU 245 N 0.12 0.00 -0.00 1.11 3.07 -2.02 -2.91 114.58 113.95 1jut h GLU 245 Ca 0.77 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.63 1jut h GLU 245 Cb 1.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.79 1jut h GLU 245 CO -0.73 0.00 -0.12 -0.25 -1.40 0.00 0.00 179.01 176.51 1jut n ASP 246 N -2.58 0.15 -4.44 1.42 8.00 0.81 -4.82 116.55 115.08 1jut n ASP 246 Ca -0.01 0.20 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 1jut n ASP 246 Cb 0.10 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 1jut n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jut s PHE 247 N -2.93 2.89 -0.04 1.24 0.08 -1.10 -0.30 117.98 117.82 1jut s PHE 247 Ca 0.16 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1jut s PHE 247 Cb 0.19 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1jut s PHE 247 CO 0.56 -0.06 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.29 1jut s GLU 248 N 0.15 1.31 -0.13 0.44 0.41 0.46 -4.98 118.70 116.36 1jut s GLU 248 Ca -0.05 -0.40 -0.04 0.00 -0.41 0.00 0.00 54.97 54.07 1jut s GLU 248 Cb -0.14 -1.17 -0.03 0.00 -1.78 0.00 0.00 34.13 31.01 1jut s GLU 248 CO 0.04 0.13 0.01 -1.50 -0.49 0.00 0.00 175.26 173.45 1jut s ILE 249 N 0.25 4.40 0.03 -1.63 1.10 -1.26 0.36 121.20 124.45 1jut s ILE 249 Ca -0.06 -0.20 0.07 0.00 -0.51 0.00 0.00 60.65 59.96 1jut s ILE 249 Cb -0.11 -2.90 -0.02 0.00 0.15 0.00 0.00 42.46 39.58 1jut s ILE 249 CO 0.01 0.55 -0.19 -0.70 -2.11 0.00 0.00 174.94 172.50 1jut s GLU 250 N -0.33 1.35 -1.10 3.50 2.12 0.84 -4.75 118.70 120.34 1jut s GLU 250 Ca 0.07 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1jut s GLU 250 Cb -0.12 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.86 1jut s GLU 250 CO 0.02 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1jut n GLY 251 N 2.03 0.22 3.44 -1.50 0.00 -1.26 -0.31 105.19 107.81 1jut n GLY 251 Ca -0.17 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 1jut n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jut s TYR 252 N -2.57 2.81 -0.70 1.61 5.04 -1.26 -4.14 117.35 118.14 1jut s TYR 252 Ca 0.00 -0.62 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 1jut s TYR 252 Cb 0.00 -4.13 0.17 0.00 0.35 0.00 0.00 41.96 38.35 1jut s TYR 252 CO 0.00 -1.47 0.50 0.34 -1.34 0.00 0.00 175.55 173.58 1jut s ASP 253 N 3.51 4.97 0.60 4.32 2.15 -1.26 -5.07 116.67 125.89 1jut s ASP 253 Ca 0.19 -3.62 -0.05 0.00 0.43 0.00 0.00 52.55 49.51 1jut s ASP 253 Cb -0.19 -1.70 0.02 0.00 -0.30 0.00 0.00 42.92 40.75 1jut s ASP 253 CO 0.10 -0.15 0.89 -2.16 -0.17 0.00 0.00 175.17 173.69 1jut s PRO 254 N -1.14 2.74 0.66 4.34 0.04 -1.26 -4.89 135.00 135.50 1jut s PRO 254 Ca 0.23 -0.17 -0.11 0.00 0.04 0.00 0.00 61.00 60.99 1jut s PRO 254 Cb -0.10 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1jut s PRO 254 CO -0.12 -0.78 1.06 -1.01 0.04 0.00 0.00 177.00 176.19 1jut s HIS 255 N -2.99 3.49 0.64 0.56 3.76 0.96 -4.82 115.29 116.88 1jut s HIS 255 Ca 0.55 1.17 -0.17 0.00 -0.15 0.00 0.00 55.06 56.46 1jut s HIS 255 Cb -0.11 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1jut s HIS 255 CO 0.44 -0.92 0.79 -2.30 -0.85 0.00 0.00 174.74 171.90 1jut n PRO 256 N -2.87 0.63 -1.03 8.40 -0.02 -1.26 -0.58 135.00 138.27 1jut n PRO 256 Ca 0.06 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 1jut n PRO 256 Cb 0.55 -2.02 0.13 0.00 -0.02 0.00 0.00 33.50 32.15 1jut n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jut s GLY 257 N -1.35 1.66 -0.13 -1.23 0.00 -1.26 -3.52 107.32 101.49 1jut s GLY 257 Ca 0.73 0.29 -0.00 0.00 0.00 0.00 0.00 44.72 45.73 1jut s GLY 257 CO 0.51 0.71 -0.07 -0.42 0.00 0.00 0.00 173.10 173.82 1jut s ILE 258 N -2.80 1.06 0.34 0.90 1.01 -1.26 -4.86 121.20 115.59 1jut s ILE 258 Ca 0.64 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 1jut s ILE 258 Cb -0.20 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 1jut s ILE 258 CO 0.57 0.31 1.00 -0.75 0.00 0.00 0.00 174.94 176.07 1jut s LYS 259 N 1.68 4.47 -0.28 2.79 2.36 -1.26 -5.06 119.74 124.44 1jut s LYS 259 Ca 0.04 1.46 -0.19 0.00 -2.55 0.00 0.00 55.97 54.73 1jut s LYS 259 Cb -0.13 -2.80 0.10 0.00 -1.05 0.00 0.00 37.83 33.95 1jut s LYS 259 CO -0.08 0.15 0.82 0.00 1.55 0.00 0.00 175.35 177.78 1jut s ALA 260 N -1.54 -1.97 0.35 3.13 0.00 -1.26 -4.94 121.76 115.54 1jut s ALA 260 Ca 0.51 2.20 -0.28 0.00 0.00 0.00 0.00 51.96 54.40 1jut s ALA 260 Cb -0.22 -1.45 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 1jut s ALA 260 CO 0.28 -0.34 1.33 -1.25 0.00 0.00 0.00 175.76 175.78 1jut s PRO 261 N 1.08 4.23 0.21 0.00 0.04 -1.26 -5.02 135.00 134.28 1jut s PRO 261 Ca -0.06 2.26 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1jut s PRO 261 Cb -0.05 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1jut s PRO 261 CO -0.12 -0.31 0.58 0.08 0.04 0.00 0.00 177.00 177.27 1jut s VAL 262 N -1.16 4.85 -0.17 -0.36 1.01 -1.26 -5.00 120.40 118.31 1jut s VAL 262 Ca 0.51 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 1jut s VAL 262 Cb -0.40 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1jut s VAL 262 CO 0.54 0.05 0.54 0.00 0.00 0.00 0.00 175.10 176.22 1jut s ALA 263 N -1.69 3.51 -1.67 5.51 0.00 -1.26 -5.21 121.76 120.95 1jut s ALA 263 Ca 0.44 -0.28 0.13 0.00 0.00 0.00 0.00 51.96 52.25 1jut s ALA 263 Cb -0.13 -2.80 0.11 0.00 0.00 0.00 0.00 23.12 20.30 1jut s ALA 263 CO 0.20 -0.31 0.92 -0.89 0.00 0.00 0.00 175.76 175.68