#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0x n THR 3 N -0.33 0.00 -4.33 0.00 -2.24 -1.26 -4.98 114.28 101.14 1u0x n THR 3 Ca -0.01 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1u0x n THR 3 Cb 0.53 1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 1u0x n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0x s LYS 4 N -0.20 3.56 -0.80 -0.78 -0.14 -1.26 -5.04 119.74 115.07 1u0x s LYS 4 Ca 0.00 -0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 53.98 1u0x s LYS 4 Cb 0.00 -2.93 0.17 0.00 -1.68 0.00 0.00 37.83 33.39 1u0x s LYS 4 CO 0.00 0.36 0.85 1.21 -0.76 0.00 0.00 175.35 177.00 1u0x s ASN 5 N 0.07 6.60 0.26 2.83 2.47 -1.26 -5.04 114.94 120.87 1u0x s ASN 5 Ca 0.01 -2.26 -0.30 0.00 0.42 0.00 0.00 52.86 50.73 1u0x s ASN 5 Cb -0.13 -2.28 -0.10 0.00 -1.45 0.00 0.00 41.25 37.29 1u0x s ASN 5 CO 0.02 -0.81 1.33 0.00 -3.72 0.00 0.00 177.10 173.92 1u0x s ALA 6 N 1.35 3.54 -0.16 1.71 0.00 -1.26 -4.98 121.76 121.96 1u0x s ALA 6 Ca 0.20 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1u0x s ALA 6 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1u0x s ALA 6 CO -0.06 -0.60 0.51 0.42 0.00 0.00 0.00 175.76 176.03 1u0x s ILE 7 N -0.38 5.13 0.59 0.00 -1.09 -1.26 -5.01 121.20 119.18 1u0x s ILE 7 Ca 0.54 0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 59.76 1u0x s ILE 7 Cb -0.39 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1u0x s ILE 7 CO 0.44 0.23 1.17 0.00 -1.23 0.00 0.00 174.94 175.56 1u0x s ALA 8 N 1.23 2.56 0.19 9.38 0.00 -1.26 -4.35 121.76 129.51 1u0x s ALA 8 Ca 0.25 0.89 -0.33 0.00 0.00 0.00 0.00 51.96 52.78 1u0x s ALA 8 Cb -0.15 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 1u0x s ALA 8 CO 0.10 -1.08 1.56 0.94 0.00 0.00 0.00 175.76 177.28 1u0x n GLN 9 N -1.64 2.24 -1.93 0.00 7.27 -0.20 -4.92 117.38 118.21 1u0x n GLN 9 Ca 0.13 0.81 -0.42 0.00 0.07 0.00 0.00 57.00 57.58 1u0x n GLN 9 Cb 0.50 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.56 1u0x n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1u0x s THR 10 N 0.68 2.59 -0.81 1.69 2.01 -1.26 -2.37 115.64 118.17 1u0x s THR 10 Ca 0.75 0.43 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1u0x s THR 10 Cb -0.64 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1u0x s THR 10 CO 0.40 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1u0x n GLY 11 N 3.69 0.70 3.62 4.40 0.00 -1.26 -4.95 105.19 111.40 1u0x n GLY 11 Ca 0.14 -0.63 -0.48 0.00 0.00 0.00 0.00 46.02 45.04 1u0x n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u0x n PHE 12 N -3.15 1.79 -3.31 1.61 7.35 -1.00 -4.91 117.46 115.83 1u0x n PHE 12 Ca -0.09 0.51 -0.47 0.00 -0.76 0.00 0.00 57.45 56.65 1u0x n PHE 12 Cb 0.36 -2.40 -0.03 0.00 0.35 0.00 0.00 39.48 37.76 1u0x n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u0x s ASN 13 N 0.40 6.53 0.17 -2.13 3.84 -1.26 -4.95 114.94 117.53 1u0x s ASN 13 Ca 0.76 -2.31 -0.11 0.00 0.21 0.00 0.00 52.86 51.41 1u0x s ASN 13 Cb -0.79 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 37.76 1u0x s ASN 13 CO 0.47 -0.70 1.67 0.07 -2.79 0.00 0.00 177.10 175.81 1u0x h LYS 14 N 8.25 0.96 -0.21 0.43 2.10 -2.00 -2.34 116.57 123.76 1u0x h LYS 14 Ca -0.06 -0.25 -0.08 0.00 -2.00 0.00 0.00 60.65 58.26 1u0x h LYS 14 Cb 1.06 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1u0x h LYS 14 CO 0.88 0.91 -0.21 -0.44 -2.00 0.00 0.00 179.45 178.58 1u0x h ASP 15 N 0.86 0.37 -0.28 7.07 5.19 -1.92 0.73 116.42 128.44 1u0x h ASP 15 Ca 0.18 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.37 1u0x h ASP 15 Cb 0.40 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1u0x h ASP 15 CO 0.01 0.59 -0.26 0.11 -3.12 0.00 0.00 179.24 176.57 1u0x h LYS 16 N 0.34 0.68 -0.08 3.56 1.57 -1.95 -3.22 116.57 117.46 1u0x h LYS 16 Ca 0.06 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1u0x h LYS 16 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1u0x h LYS 16 CO 0.04 0.96 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.93 1u0x h TYR 17 N 0.42 0.19 -1.26 -1.35 3.20 -1.11 -3.29 116.97 113.77 1u0x h TYR 17 Ca 0.05 -0.04 -0.75 0.00 3.14 0.00 0.00 58.73 61.13 1u0x h TYR 17 Cb 0.82 -0.04 -0.14 0.00 1.54 0.00 0.00 36.73 38.91 1u0x h TYR 17 CO 0.07 0.52 2.29 1.19 -1.64 0.00 0.00 178.16 180.59 1u0x n PHE 18 N -4.77 2.63 -0.00 -3.82 3.72 0.22 -4.64 117.46 110.80 1u0x n PHE 18 Ca -0.07 -2.80 0.11 0.00 -0.05 0.00 0.00 57.45 54.64 1u0x n PHE 18 Cb 0.25 -1.79 0.25 0.00 -0.94 0.00 0.00 39.48 37.25 1u0x n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u0x n ASN 19 N 1.73 3.60 0.00 4.37 6.94 -1.12 -3.77 115.26 127.00 1u0x n ASN 19 Ca 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 1u0x n ASN 19 Cb 0.25 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1u0x n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u0x n GLY 20 N 1.47 0.99 4.00 4.83 0.00 0.25 -4.96 105.19 111.77 1u0x n GLY 20 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1u0x n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u0x s ASP 21 N -3.04 4.60 -0.08 1.61 2.15 -1.24 -4.68 116.67 115.98 1u0x s ASP 21 Ca 0.00 -0.40 -0.10 0.00 0.43 0.00 0.00 52.55 52.49 1u0x s ASP 21 Cb 0.00 -0.09 -0.05 0.00 -0.30 0.00 0.00 42.92 42.49 1u0x s ASP 21 CO 0.00 -1.67 0.23 -0.69 -0.17 0.00 0.00 175.17 172.87 1u0x s VAL 22 N -3.01 5.34 -0.05 1.11 1.01 -1.26 -2.51 120.40 121.04 1u0x s VAL 22 Ca 0.64 0.43 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1u0x s VAL 22 Cb -0.06 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1u0x s VAL 22 CO 0.43 0.59 -0.22 0.26 0.00 0.00 0.00 175.10 176.16 1u0x s TRP 23 N -0.95 2.50 -0.11 5.22 0.52 0.83 -4.61 118.94 122.35 1u0x s TRP 23 Ca 0.18 -0.48 -0.04 0.00 0.02 0.00 0.00 56.10 55.79 1u0x s TRP 23 Cb -0.14 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1u0x s TRP 23 CO 0.07 -0.05 0.03 0.71 0.02 0.00 0.00 176.95 177.72 1u0x s TYR 24 N -0.42 3.23 -0.24 -1.98 2.02 -0.29 -0.83 117.35 118.84 1u0x s TYR 24 Ca 0.04 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 1u0x s TYR 24 Cb -0.12 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1u0x s TYR 24 CO 0.01 0.41 1.08 0.08 -1.57 0.00 0.00 175.55 175.57 1u0x s VAL 25 N -0.60 4.59 -0.13 0.71 1.01 -0.48 -1.03 120.40 124.47 1u0x s VAL 25 Ca 0.10 1.90 0.18 0.00 0.00 0.00 0.00 61.98 64.17 1u0x s VAL 25 Cb -0.12 -4.28 -0.27 0.00 0.00 0.00 0.00 36.38 31.71 1u0x s VAL 25 CO 0.02 -0.23 0.21 0.35 0.00 0.00 0.00 175.10 175.46 1u0x n THR 26 N 5.43 0.81 -3.70 3.92 -2.24 -0.16 -4.65 114.28 113.70 1u0x n THR 26 Ca 0.12 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1u0x n THR 26 Cb 0.46 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 1u0x n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u0x s ASP 27 N -4.98 -0.36 0.08 3.42 1.11 -1.19 -1.27 116.67 113.47 1u0x s ASP 27 Ca -0.09 0.43 -0.08 0.00 0.18 0.00 0.00 52.55 53.00 1u0x s ASP 27 Cb 0.09 0.52 -0.01 0.00 1.07 0.00 0.00 42.92 44.58 1u0x s ASP 27 CO 0.81 -0.41 0.16 -0.72 1.18 0.00 0.00 175.17 176.19 1u0x s TYR 28 N -0.91 0.19 -0.18 4.23 1.13 -0.12 -0.72 117.35 120.96 1u0x s TYR 28 Ca -0.10 -0.61 -0.04 0.00 -1.41 0.00 0.00 57.07 54.91 1u0x s TYR 28 Cb -0.04 -0.10 0.08 0.00 -1.10 0.00 0.00 41.96 40.80 1u0x s TYR 28 CO 0.05 -0.51 0.16 -1.17 -2.51 0.00 0.00 175.55 171.57 1u0x s LEU 29 N -2.77 0.10 -0.13 -3.49 2.96 -0.19 -0.52 118.68 114.64 1u0x s LEU 29 Ca 0.04 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 1u0x s LEU 29 Cb 0.04 0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.78 1u0x s LEU 29 CO -0.10 -0.33 0.28 -0.62 -1.32 0.00 0.00 176.35 174.25 1u0x s ASP 30 N 2.24 6.47 0.22 3.68 -1.08 -1.26 -0.42 116.67 126.52 1u0x s ASP 30 Ca 0.05 0.56 0.26 0.00 -0.52 0.00 0.00 52.55 52.89 1u0x s ASP 30 Cb -0.16 -2.17 0.83 0.00 -1.46 0.00 0.00 42.92 39.97 1u0x s ASP 30 CO -0.10 0.19 1.77 0.18 0.52 0.00 0.00 175.17 177.72 1u0x n LEU 31 N 3.04 0.81 -3.95 -1.34 4.77 -0.26 -2.99 117.00 117.07 1u0x n LEU 31 Ca -0.14 0.59 -0.36 0.00 -0.03 0.00 0.00 56.01 56.08 1u0x n LEU 31 Cb 0.52 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1u0x n LEU 31 CO 0.38 -0.24 0.47 -0.62 -1.33 0.00 0.00 177.39 176.05 1u0x n GLU 32 N -2.27 3.03 0.22 3.23 1.02 -1.26 -4.95 120.64 119.65 1u0x n GLU 32 Ca 0.05 -4.54 0.18 0.00 -0.02 0.00 0.00 57.16 52.83 1u0x n GLU 32 Cb 0.40 -2.40 0.85 0.00 -0.02 0.00 0.00 31.44 30.27 1u0x n GLU 32 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1u0x h PRO 33 N 5.49 0.00 -0.53 3.49 0.13 -1.92 -0.51 132.00 138.15 1u0x h PRO 33 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1u0x h PRO 33 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1u0x h PRO 33 CO 0.96 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 1u0x n ASP 34 N -3.56 2.87 0.16 1.44 9.92 -1.26 -3.70 116.55 122.41 1u0x n ASP 34 Ca 0.01 -2.13 0.03 0.00 -0.53 0.00 0.00 54.79 52.18 1u0x n ASP 34 Cb 0.36 -0.38 0.16 0.00 -0.64 0.00 0.00 41.12 40.62 1u0x n ASP 34 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1u0x h ASP 35 N 2.73 0.00 -4.20 -2.24 5.19 -1.47 -3.46 116.42 112.98 1u0x h ASP 35 Ca 0.00 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 1u0x h ASP 35 Cb 0.81 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.12 1u0x h ASP 35 CO 0.07 0.49 -0.79 0.68 -3.12 0.00 0.00 179.24 176.57 1u0x s VAL 36 N -3.25 1.40 0.97 -1.35 -7.23 -1.24 -5.09 120.40 104.60 1u0x s VAL 36 Ca 0.02 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 1u0x s VAL 36 Cb 0.09 -1.40 0.18 0.00 0.56 0.00 0.00 36.38 35.81 1u0x s VAL 36 CO 0.72 -0.24 1.11 -2.84 -0.31 0.00 0.00 175.10 173.54 1u0x s PRO 37 N -2.14 0.60 0.02 4.82 0.02 -1.26 -4.94 135.00 132.11 1u0x s PRO 37 Ca 0.05 1.31 0.28 0.00 0.02 0.00 0.00 61.00 62.66 1u0x s PRO 37 Cb -0.08 -1.70 1.02 0.00 0.02 0.00 0.00 34.50 33.77 1u0x s PRO 37 CO 0.03 -2.84 1.79 1.63 -0.33 0.00 0.00 177.00 177.28 1u0x n LYS 38 N -4.36 0.03 -4.27 5.54 4.76 -1.26 -4.71 118.16 113.89 1u0x n LYS 38 Ca 0.09 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 1u0x n LYS 38 Cb 0.53 -1.53 -0.17 0.00 -1.84 0.00 0.00 35.03 32.02 1u0x n LYS 38 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u0x s ARG 39 N -3.01 1.77 0.23 1.97 0.52 -1.26 -4.94 118.95 114.23 1u0x s ARG 39 Ca 0.13 -0.39 -0.19 0.00 -0.52 0.00 0.00 55.73 54.76 1u0x s ARG 39 Cb 0.18 -1.61 0.03 0.00 0.52 0.00 0.00 34.95 34.07 1u0x s ARG 39 CO 0.58 -0.12 0.60 -0.47 0.02 0.00 0.00 175.30 175.91 1u0x s TYR 40 N 1.17 -0.16 0.06 -0.53 6.14 -1.26 -4.49 117.35 118.27 1u0x s TYR 40 Ca -0.05 -0.21 -0.05 0.00 0.64 0.00 0.00 57.07 57.41 1u0x s TYR 40 Cb -0.14 0.51 -0.02 0.00 0.42 0.00 0.00 41.96 42.73 1u0x s TYR 40 CO -0.03 -1.03 0.08 0.00 0.64 0.00 0.00 175.55 175.21 1u0x s ALA 42 N -3.50 -1.91 0.17 0.00 0.00 -1.26 -1.85 121.76 113.40 1u0x s ALA 42 Ca 0.03 1.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 1u0x s ALA 42 Cb 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1u0x s ALA 42 CO -0.09 -0.30 0.52 0.00 0.00 0.00 0.00 175.76 175.90 1u0x s ALA 43 N -0.63 -1.16 0.05 0.00 0.00 -0.66 -1.39 121.76 117.97 1u0x s ALA 43 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 1u0x s ALA 43 Cb -0.02 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1u0x s ALA 43 CO 0.00 -0.76 0.26 -0.48 0.00 0.00 0.00 175.76 174.79 1u0x s LEU 44 N -2.81 1.06 0.10 0.00 2.34 -0.01 -1.02 118.68 118.34 1u0x s LEU 44 Ca 0.05 -0.29 0.05 0.00 0.06 0.00 0.00 54.13 54.00 1u0x s LEU 44 Cb -0.00 1.22 -0.04 0.00 -0.56 0.00 0.00 46.19 46.81 1u0x s LEU 44 CO -0.08 -0.61 0.01 0.00 -1.06 0.00 0.00 176.35 174.60 1u0x s ALA 45 N -2.71 3.30 -0.06 1.48 0.00 0.18 -0.12 121.76 123.84 1u0x s ALA 45 Ca -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 1u0x s ALA 45 Cb -0.00 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1u0x s ALA 45 CO -0.04 0.68 0.13 0.00 0.00 0.00 0.00 175.76 176.52 1u0x s ALA 46 N -1.36 -0.19 0.01 0.00 0.00 -1.04 -1.12 121.76 118.06 1u0x s ALA 46 Ca 0.26 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1u0x s ALA 46 Cb -0.11 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.66 1u0x s ALA 46 CO 0.19 -0.20 1.23 0.20 0.00 0.00 0.00 175.76 177.18 1u0x s GLY 47 N 1.29 -0.39 -0.19 0.00 0.00 -0.67 -0.59 107.32 106.78 1u0x s GLY 47 Ca -0.08 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1u0x s GLY 47 CO -0.05 0.11 0.24 -1.59 0.00 0.00 0.00 173.10 171.80 1u0x s THR 48 N -2.56 5.33 -0.17 0.90 2.01 -1.25 -0.67 115.64 119.23 1u0x s THR 48 Ca 0.14 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1u0x s THR 48 Cb 0.04 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1u0x s THR 48 CO -0.03 0.38 -0.12 0.00 -0.69 0.00 0.00 174.62 174.16 1u0x s ALA 49 N 0.65 1.87 -1.48 7.40 0.00 0.25 -4.75 121.76 125.71 1u0x s ALA 49 Ca 0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1u0x s ALA 49 Cb -0.13 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1u0x s ALA 49 CO 0.03 -0.61 0.41 0.43 0.00 0.00 0.00 175.76 176.03 1u0x n SER 50 N 4.75 -0.62 0.00 0.00 7.64 -1.26 -1.31 113.62 122.82 1u0x n SER 50 Ca -0.15 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1u0x n SER 50 Cb 0.48 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1u0x n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u0x n GLY 51 N -1.98 1.58 3.60 0.23 0.00 -1.26 -5.01 105.19 102.36 1u0x n GLY 51 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1u0x n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0x s LYS 52 N -0.17 3.44 -0.16 1.61 -0.14 -0.42 -5.07 119.74 118.82 1u0x s LYS 52 Ca 0.00 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 1u0x s LYS 52 Cb 0.00 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1u0x s LYS 52 CO 0.00 0.44 1.08 -1.17 -0.76 0.00 0.00 175.35 174.94 1u0x s LEU 53 N -0.17 4.18 0.09 3.17 2.96 -1.26 -0.58 118.68 127.07 1u0x s LEU 53 Ca 0.05 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 1u0x s LEU 53 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1u0x s LEU 53 CO 0.02 -0.60 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.77 1u0x s LYS 54 N 2.76 0.88 0.07 1.98 -0.14 0.15 -1.05 119.74 124.39 1u0x s LYS 54 Ca 0.48 -1.07 0.05 0.00 -1.36 0.00 0.00 55.97 54.07 1u0x s LYS 54 Cb -0.18 -0.78 -0.03 0.00 -1.68 0.00 0.00 37.83 35.16 1u0x s LYS 54 CO 0.13 0.16 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.53 1u0x s GLU 55 N -2.21 0.80 -0.11 1.68 2.02 -0.69 -1.67 118.70 118.51 1u0x s GLU 55 Ca 0.02 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1u0x s GLU 55 Cb -0.07 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1u0x s GLU 55 CO 0.02 0.17 -0.23 0.00 0.02 0.00 0.00 175.26 175.24 1u0x s ALA 56 N -1.33 2.21 0.14 5.21 0.00 -0.27 -0.73 121.76 126.98 1u0x s ALA 56 Ca -0.02 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.02 1u0x s ALA 56 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1u0x s ALA 56 CO 0.02 0.18 -0.16 -0.51 0.00 0.00 0.00 175.76 175.29 1u0x s LEU 57 N 0.50 2.75 -0.03 0.00 1.43 0.35 -0.65 118.68 123.04 1u0x s LEU 57 Ca -0.15 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1u0x s LEU 57 Cb -0.17 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1u0x s LEU 57 CO 0.05 0.15 0.03 -0.47 0.23 0.00 0.00 176.35 176.34 1u0x s TYR 58 N -1.35 0.15 -0.01 0.29 5.04 -0.19 -1.51 117.35 119.78 1u0x s TYR 58 Ca 0.20 0.10 0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1u0x s TYR 58 Cb -0.10 -0.36 -0.02 0.00 0.35 0.00 0.00 41.96 41.83 1u0x s TYR 58 CO 0.11 -0.13 -0.21 -1.01 -1.34 0.00 0.00 175.55 172.97 1u0x s HIS 59 N 1.30 1.90 -0.15 4.97 3.76 -0.41 -1.65 115.29 125.01 1u0x s HIS 59 Ca -0.06 -0.36 -0.06 0.00 -0.15 0.00 0.00 55.06 54.43 1u0x s HIS 59 Cb -0.13 -1.22 0.07 0.00 1.11 0.00 0.00 32.58 32.41 1u0x s HIS 59 CO -0.03 -0.03 0.34 -0.47 -0.85 0.00 0.00 174.74 173.70 1u0x s TYR 60 N -0.51 -0.56 -0.41 1.40 5.04 -0.77 -1.65 117.35 119.88 1u0x s TYR 60 Ca 0.08 1.18 -0.22 0.00 -2.44 0.00 0.00 57.07 55.67 1u0x s TYR 60 Cb -0.08 0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.38 1u0x s TYR 60 CO -0.01 -0.38 0.72 0.34 -1.34 0.00 0.00 175.55 174.89 1u0x s ASP 61 N 2.13 6.42 0.24 4.32 -1.08 -0.18 -0.97 116.67 127.56 1u0x s ASP 61 Ca -0.03 -0.00 0.23 0.00 -0.52 0.00 0.00 52.55 52.23 1u0x s ASP 61 Cb -0.11 -2.36 0.96 0.00 -1.46 0.00 0.00 42.92 39.95 1u0x s ASP 61 CO -0.11 -0.77 1.70 -0.81 0.52 0.00 0.00 175.17 175.71 1u0x n PRO 62 N 6.40 0.19 -0.09 4.34 -0.04 -1.26 -0.54 135.00 144.00 1u0x n PRO 62 Ca 0.01 0.40 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 1u0x n PRO 62 Cb 0.48 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 1u0x n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u0x n LYS 63 N -2.20 0.60 0.14 0.54 5.02 -1.26 -4.51 118.16 116.49 1u0x n LYS 63 Ca 0.02 0.51 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1u0x n LYS 63 Cb 0.24 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1u0x n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1u0x h THR 64 N -0.81 0.00 -0.11 -0.18 1.35 -1.96 -3.47 112.91 107.73 1u0x h THR 64 Ca -0.37 -0.97 -0.05 0.00 -0.55 0.00 0.00 66.41 64.47 1u0x h THR 64 Cb 1.45 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1u0x h THR 64 CO -0.16 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.06 1u0x n GLN 65 N -2.80 -0.88 -1.74 4.72 6.02 0.29 -5.00 117.38 118.01 1u0x n GLN 65 Ca 0.02 0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.96 1u0x n GLN 65 Cb 0.54 -4.13 -0.03 0.00 1.02 0.00 0.00 30.24 27.64 1u0x n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1u0x s ASP 66 N -2.21 6.37 -0.17 1.08 2.15 -1.24 -4.77 116.67 117.88 1u0x s ASP 66 Ca 0.00 2.89 -0.13 0.00 0.43 0.00 0.00 52.55 55.74 1u0x s ASP 66 Cb 0.00 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1u0x s ASP 66 CO 0.00 -0.96 0.44 0.28 -0.17 0.00 0.00 175.17 174.76 1u0x s THR 67 N 0.87 -0.01 -0.05 1.71 -1.32 -1.26 -1.01 115.64 114.57 1u0x s THR 67 Ca 0.72 0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 61.10 1u0x s THR 67 Cb -0.49 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 1u0x s THR 67 CO 0.36 0.01 0.30 0.72 -2.21 0.00 0.00 174.62 173.80 1u0x s PHE 68 N 0.69 -0.22 0.16 9.09 -0.71 -0.66 -5.02 117.98 121.32 1u0x s PHE 68 Ca -0.04 0.42 0.08 0.00 -1.04 0.00 0.00 56.93 56.35 1u0x s PHE 68 Cb -0.05 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1u0x s PHE 68 CO -0.05 -0.31 -0.05 0.71 -1.34 0.00 0.00 175.22 174.18 1u0x s TYR 69 N -0.85 2.76 0.04 3.49 1.51 -1.24 -1.29 117.35 121.77 1u0x s TYR 69 Ca -0.09 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1u0x s TYR 69 Cb -0.04 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1u0x s TYR 69 CO 0.03 0.50 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.42 1u0x s ASP 70 N -2.78 0.46 -0.09 2.29 1.11 -0.57 -1.39 116.67 115.72 1u0x s ASP 70 Ca 0.26 -0.66 0.04 0.00 0.18 0.00 0.00 52.55 52.37 1u0x s ASP 70 Cb -0.09 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 44.00 1u0x s ASP 70 CO 0.17 -0.36 -0.22 -0.69 1.18 0.00 0.00 175.17 175.24 1u0x s VAL 71 N -2.16 2.30 -0.03 -1.27 1.01 -0.30 -0.49 120.40 119.45 1u0x s VAL 71 Ca -0.08 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1u0x s VAL 71 Cb -0.05 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1u0x s VAL 71 CO -0.03 0.56 -0.18 -0.44 0.00 0.00 0.00 175.10 175.01 1u0x s SER 72 N 0.11 2.16 -0.22 3.32 0.01 0.09 -1.28 113.70 117.90 1u0x s SER 72 Ca -0.11 -0.35 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 1u0x s SER 72 Cb -0.16 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1u0x s SER 72 CO 0.06 0.18 0.06 -1.61 0.41 0.00 0.00 173.24 172.34 1u0x s GLU 73 N -0.12 3.79 -0.18 12.44 2.02 -1.25 -1.70 118.70 133.70 1u0x s GLU 73 Ca -0.00 -0.42 -0.08 0.00 0.02 0.00 0.00 54.97 54.49 1u0x s GLU 73 Cb -0.10 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1u0x s GLU 73 CO 0.01 0.02 0.09 -0.51 0.02 0.00 0.00 175.26 174.89 1u0x s LEU 74 N 1.05 3.99 -0.00 1.80 1.02 -0.22 -1.95 118.68 124.37 1u0x s LEU 74 Ca 0.04 0.17 -0.00 0.00 0.02 0.00 0.00 54.13 54.36 1u0x s LEU 74 Cb -0.14 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 1u0x s LEU 74 CO 0.03 0.21 0.08 -1.10 0.02 0.00 0.00 176.35 175.59 1u0x s GLN 75 N 0.14 3.06 -0.10 1.70 -1.52 0.17 -4.59 119.66 118.52 1u0x s GLN 75 Ca 0.06 -0.49 -0.24 0.00 -1.95 0.00 0.00 55.36 52.74 1u0x s GLN 75 Cb -0.12 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 29.79 1u0x s GLN 75 CO -0.00 0.65 0.75 0.08 -0.25 0.00 0.00 175.29 176.52 1u0x s VAL 76 N -1.19 4.98 -0.21 1.09 1.01 -1.26 -1.43 120.40 123.38 1u0x s VAL 76 Ca 0.23 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.76 1u0x s VAL 76 Cb -0.12 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 31.98 1u0x s VAL 76 CO 0.14 0.17 -0.03 -0.62 0.00 0.00 0.00 175.10 174.76 1u0x n GLU 77 N 4.30 0.68 -2.79 2.72 -0.58 0.09 -4.93 120.64 120.13 1u0x n GLU 77 Ca 0.01 0.16 -0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1u0x n GLU 77 Cb 0.50 -1.57 0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1u0x n GLU 77 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1u0x n SER 78 N -3.22 -0.82 -4.59 1.62 3.41 -1.03 -5.02 113.62 103.97 1u0x n SER 78 Ca -0.40 -1.37 -0.47 0.00 -0.26 0.00 0.00 58.87 56.38 1u0x n SER 78 Cb 1.03 1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 66.25 1u0x n SER 78 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1u0x n LEU 79 N 0.00 3.12 0.00 1.04 7.94 -1.26 -1.40 117.00 126.44 1u0x n LEU 79 Ca -0.00 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1u0x n LEU 79 Cb 0.30 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1u0x n LEU 79 CO 0.10 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.57 1u0x n GLY 80 N 5.44 0.42 2.89 -3.96 0.00 -1.26 -4.71 105.19 104.02 1u0x n GLY 80 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1u0x n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0x s LYS 81 N -0.33 1.24 0.10 1.61 2.20 -0.49 -1.11 119.74 122.95 1u0x s LYS 81 Ca 0.00 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1u0x s LYS 81 Cb 0.00 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 1u0x s LYS 81 CO 0.00 -0.20 -0.10 0.71 -0.36 0.00 0.00 175.35 175.40 1u0x s TYR 82 N 1.47 1.09 -0.14 4.03 2.02 -0.22 -0.73 117.35 124.86 1u0x s TYR 82 Ca -0.01 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1u0x s TYR 82 Cb -0.13 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1u0x s TYR 82 CO -0.04 0.01 -0.18 0.99 -1.57 0.00 0.00 175.55 174.75 1u0x s THR 83 N -2.42 2.42 -0.14 -0.71 2.01 -0.52 -1.13 115.64 115.15 1u0x s THR 83 Ca 0.06 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1u0x s THR 83 Cb -0.03 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.50 1u0x s THR 83 CO 0.00 0.53 -0.21 0.00 -0.69 0.00 0.00 174.62 174.25 1u0x s ALA 84 N 0.71 2.27 1.05 7.40 0.00 0.55 -0.65 121.76 133.09 1u0x s ALA 84 Ca -0.08 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 1u0x s ALA 84 Cb -0.16 -1.00 0.22 0.00 0.00 0.00 0.00 23.12 22.18 1u0x s ALA 84 CO 0.01 0.01 1.14 0.54 0.00 0.00 0.00 175.76 177.46 1u0x s ASN 85 N 0.75 2.21 -0.09 0.00 6.03 -0.82 -1.39 114.94 121.63 1u0x s ASN 85 Ca -0.08 0.81 -0.17 0.00 -1.03 0.00 0.00 52.86 52.39 1u0x s ASN 85 Cb -0.16 -1.23 0.04 0.00 -3.03 0.00 0.00 41.25 36.87 1u0x s ASN 85 CO -0.00 -3.35 0.42 0.72 -2.03 0.00 0.00 177.10 172.85 1u0x s PHE 86 N -3.16 -0.38 -0.06 1.54 -0.12 -1.25 -3.92 117.98 110.64 1u0x s PHE 86 Ca 0.68 0.78 0.05 0.00 -0.05 0.00 0.00 56.93 58.39 1u0x s PHE 86 Cb -0.13 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1u0x s PHE 86 CO 0.55 -0.35 -0.22 -1.59 -0.05 0.00 0.00 175.22 173.57 1u0x s LYS 87 N -0.61 2.40 0.13 1.99 -2.85 -0.40 -4.14 119.74 116.25 1u0x s LYS 87 Ca -0.07 -0.79 -0.30 0.00 -1.00 0.00 0.00 55.97 53.81 1u0x s LYS 87 Cb -0.04 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.69 1u0x s LYS 87 CO 0.03 0.28 0.99 0.21 0.10 0.00 0.00 175.35 176.97 1u0x s LYS 88 N 0.04 4.68 0.11 1.78 2.20 -0.64 -1.15 119.74 126.76 1u0x s LYS 88 Ca -0.07 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.06 1u0x s LYS 88 Cb -0.14 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1u0x s LYS 88 CO 0.04 0.19 -0.03 0.14 -0.36 0.00 0.00 175.35 175.33 1u0x s VAL 89 N -0.07 0.54 1.07 4.02 -7.23 -0.48 -0.48 120.40 117.77 1u0x s VAL 89 Ca 0.47 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.55 1u0x s VAL 89 Cb -0.25 -1.76 0.24 0.00 0.56 0.00 0.00 36.38 35.17 1u0x s VAL 89 CO 0.31 -0.79 1.22 1.51 -0.31 0.00 0.00 175.10 177.04 1u0x s ASP 90 N -3.04 2.13 0.43 4.85 1.47 -0.51 -3.66 116.67 118.33 1u0x s ASP 90 Ca 0.14 0.44 0.30 0.00 1.18 0.00 0.00 52.55 54.61 1u0x s ASP 90 Cb 0.06 -0.58 1.33 0.00 -0.34 0.00 0.00 42.92 43.39 1u0x s ASP 90 CO -0.04 -3.36 1.89 0.07 0.68 0.00 0.00 175.17 174.42 1u0x h LYS 91 N -2.06 0.00 -0.27 2.11 2.10 -1.95 -1.24 116.57 115.25 1u0x h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1u0x h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1u0x h LYS 91 CO 0.37 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.91 1u0x n ASN 92 N -2.67 2.54 0.00 7.07 5.03 -1.26 -4.77 115.26 121.20 1u0x n ASN 92 Ca 0.00 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.60 1u0x n ASN 92 Cb 0.22 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1u0x n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1u0x n GLY 93 N 1.31 0.76 3.73 7.41 0.00 -0.47 -4.99 105.19 112.94 1u0x n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u0x n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u0x s ASN 94 N -2.25 7.25 -0.02 1.61 0.01 -1.26 -4.79 114.94 115.49 1u0x s ASN 94 Ca 0.00 1.99 -0.30 0.00 -0.71 0.00 0.00 52.86 53.84 1u0x s ASN 94 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1u0x s ASN 94 CO 0.00 -0.28 1.16 -0.69 -1.51 0.00 0.00 177.10 175.78 1u0x s VAL 95 N 0.31 4.30 -0.24 1.60 1.01 -1.26 -1.43 120.40 124.70 1u0x s VAL 95 Ca 0.52 1.63 0.05 0.00 0.00 0.00 0.00 61.98 64.19 1u0x s VAL 95 Cb -0.28 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 31.87 1u0x s VAL 95 CO 0.32 0.04 -0.16 0.29 0.00 0.00 0.00 175.10 175.59 1u0x n LYS 96 N 4.74 0.67 -3.68 2.72 5.02 0.37 -4.94 118.16 123.07 1u0x n LYS 96 Ca 0.10 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 1u0x n LYS 96 Cb 0.47 -1.50 -0.18 0.00 -0.02 0.00 0.00 35.03 33.80 1u0x n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u0x s VAL 97 N -2.50 -0.04 0.78 -0.18 1.01 -0.90 -4.97 120.40 113.60 1u0x s VAL 97 Ca -0.29 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1u0x s VAL 97 Cb 0.08 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.27 1u0x s VAL 97 CO 0.63 0.13 1.09 0.00 0.00 0.00 0.00 175.10 176.95 1u0x s ALA 98 N 2.14 2.19 0.20 5.51 0.00 -1.26 -1.62 121.76 128.91 1u0x s ALA 98 Ca 0.05 0.22 -0.33 0.00 0.00 0.00 0.00 51.96 51.90 1u0x s ALA 98 Cb -0.13 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1u0x s ALA 98 CO -0.04 -1.82 1.40 0.28 0.00 0.00 0.00 175.76 175.59 1u0x n VAL 99 N -3.55 0.64 -4.13 0.00 0.31 -1.26 -4.78 118.33 105.55 1u0x n VAL 99 Ca 0.09 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.11 1u0x n VAL 99 Cb 0.53 -1.33 -0.14 0.00 -0.91 0.00 0.00 33.84 31.99 1u0x n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u0x s THR 100 N 0.19 0.41 0.46 2.52 2.01 -1.26 -5.07 115.64 114.90 1u0x s THR 100 Ca 0.73 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 1u0x s THR 100 Cb -0.71 -0.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 1u0x s THR 100 CO 0.47 0.04 1.44 0.00 -0.69 0.00 0.00 174.62 175.87 1u0x s ALA 101 N -0.31 3.23 0.00 7.40 0.00 -1.26 -1.76 121.76 129.07 1u0x s ALA 101 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1u0x s ALA 101 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1u0x s ALA 101 CO -0.00 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1u0x n GLY 102 N 0.57 2.89 3.24 0.00 0.00 -1.26 -4.95 105.19 105.68 1u0x n GLY 102 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1u0x n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u0x s ASN 103 N -1.37 5.98 0.16 1.61 -0.87 -0.72 -3.48 114.94 116.25 1u0x s ASN 103 Ca 0.00 -2.23 -0.18 0.00 -1.57 0.00 0.00 52.86 48.88 1u0x s ASN 103 Cb 0.00 -2.07 0.04 0.00 -0.02 0.00 0.00 41.25 39.20 1u0x s ASN 103 CO 0.00 -0.65 0.49 -0.72 -2.57 0.00 0.00 177.10 173.66 1u0x s TYR 104 N 0.89 -0.23 0.06 2.20 1.13 -0.57 -3.80 117.35 117.03 1u0x s TYR 104 Ca 0.10 -0.07 0.05 0.00 -1.41 0.00 0.00 57.07 55.73 1u0x s TYR 104 Cb -0.22 0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 40.99 1u0x s TYR 104 CO -0.02 -0.82 -0.13 1.52 -2.51 0.00 0.00 175.55 173.58 1u0x s TYR 105 N -3.82 1.14 0.41 -3.49 1.13 -0.49 -0.63 117.35 111.60 1u0x s TYR 105 Ca 0.05 -0.43 -0.08 0.00 -1.41 0.00 0.00 57.07 55.20 1u0x s TYR 105 Cb 0.00 -0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 1u0x s TYR 105 CO -0.08 0.03 0.74 0.95 -2.51 0.00 0.00 175.55 174.68 1u0x s THR 106 N -1.16 4.87 -0.15 -3.49 -4.23 -0.57 -0.33 115.64 110.58 1u0x s THR 106 Ca -0.02 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1u0x s THR 106 Cb -0.09 -3.78 0.07 0.00 1.34 0.00 0.00 72.50 70.04 1u0x s THR 106 CO 0.02 -0.59 0.28 0.12 -0.54 0.00 0.00 174.62 173.90 1u0x s PHE 107 N -2.44 -0.46 -0.12 3.99 5.36 -0.28 -2.54 117.98 121.50 1u0x s PHE 107 Ca 0.49 0.92 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 1u0x s PHE 107 Cb -0.10 -0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 1u0x s PHE 107 CO 0.35 -0.41 -0.16 0.99 -1.46 0.00 0.00 175.22 174.53 1u0x s THR 108 N 2.43 1.60 -0.55 0.12 2.01 -0.22 -1.06 115.64 119.97 1u0x s THR 108 Ca 0.02 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1u0x s THR 108 Cb -0.13 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 70.99 1u0x s THR 108 CO -0.10 0.46 0.76 -0.69 -0.69 0.00 0.00 174.62 174.37 1u0x s VAL 109 N 0.97 4.66 -0.01 3.82 1.01 -0.26 -1.15 120.40 129.44 1u0x s VAL 109 Ca -0.06 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1u0x s VAL 109 Cb -0.15 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 1u0x s VAL 109 CO -0.02 -1.02 1.34 0.24 0.00 0.00 0.00 175.10 175.65 1u0x h MET 110 N 9.18 0.00 -1.99 2.72 2.86 -1.24 -0.51 114.93 125.95 1u0x h MET 110 Ca -0.28 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 1u0x h MET 110 Cb 1.08 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.54 1u0x h MET 110 CO 1.04 0.76 0.15 -0.47 1.06 0.00 0.00 176.91 179.45 1u0x s TYR 111 N -2.83 -0.76 -0.13 -0.22 5.04 -1.08 -3.09 117.35 114.28 1u0x s TYR 111 Ca 0.02 1.79 -0.24 0.00 -2.44 0.00 0.00 57.07 56.21 1u0x s TYR 111 Cb 0.09 0.29 0.06 0.00 0.35 0.00 0.00 41.96 42.75 1u0x s TYR 111 CO 0.79 -0.41 0.59 0.00 -1.34 0.00 0.00 175.55 175.18 1u0x s ALA 112 N 0.13 -1.50 0.00 3.97 0.00 -1.26 -0.94 121.76 122.16 1u0x s ALA 112 Ca -0.02 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1u0x s ALA 112 Cb -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1u0x s ALA 112 CO 0.02 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1u0x n ASP 113 N 1.85 0.52 0.00 0.00 5.75 -0.31 -4.97 116.55 119.40 1u0x n ASP 113 Ca -0.17 -0.21 0.08 0.00 -0.01 0.00 0.00 54.79 54.49 1u0x n ASP 113 Cb 0.56 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.14 1u0x n ASP 113 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1u0x n ASP 114 N -0.51 0.00 0.00 -1.12 8.00 -1.26 -3.72 116.55 117.94 1u0x n ASP 114 Ca 0.00 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1u0x n ASP 114 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1u0x n ASP 114 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1u0x n SER 115 N -0.76 1.10 -3.97 -2.24 3.41 -1.26 -4.89 113.62 105.00 1u0x n SER 115 Ca 0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1u0x n SER 115 Cb 0.06 0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 1u0x n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1u0x s SER 116 N -0.49 0.29 0.14 4.04 1.04 -1.24 -1.18 113.70 116.29 1u0x s SER 116 Ca 0.00 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 1u0x s SER 116 Cb 0.00 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.47 1u0x s SER 116 CO 0.00 -0.68 0.62 0.00 0.98 0.00 0.00 173.24 174.16 1u0x s ALA 117 N -3.90 -1.62 -0.11 5.32 0.00 -0.81 -1.16 121.76 119.49 1u0x s ALA 117 Ca 0.07 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1u0x s ALA 117 Cb 0.06 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1u0x s ALA 117 CO -0.10 -0.75 -0.14 -1.17 0.00 0.00 0.00 175.76 173.61 1u0x s LEU 118 N -2.66 1.63 0.21 0.00 2.96 -0.12 -0.58 118.68 120.12 1u0x s LEU 118 Ca 0.01 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1u0x s LEU 118 Cb -0.01 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 1u0x s LEU 118 CO -0.12 -0.01 -0.17 0.27 -1.32 0.00 0.00 176.35 175.00 1u0x s ILE 119 N 1.12 1.94 -0.02 6.68 -4.36 -0.41 -0.95 121.20 125.21 1u0x s ILE 119 Ca -0.04 -2.19 0.07 0.00 -0.26 0.00 0.00 60.65 58.23 1u0x s ILE 119 Cb -0.14 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1u0x s ILE 119 CO -0.03 -0.48 -0.24 -2.28 0.24 0.00 0.00 174.94 172.16 1u0x s HIS 120 N -2.63 2.12 0.07 1.37 5.65 -0.30 -1.27 115.29 120.29 1u0x s HIS 120 Ca 0.23 -0.41 0.05 0.00 0.25 0.00 0.00 55.06 55.18 1u0x s HIS 120 Cb -0.03 -1.37 -0.03 0.00 -1.18 0.00 0.00 32.58 29.98 1u0x s HIS 120 CO 0.09 -0.04 -0.14 0.95 -0.65 0.00 0.00 174.74 174.94 1u0x s THR 121 N -0.53 1.13 -0.29 0.89 -4.23 0.32 -1.06 115.64 111.87 1u0x s THR 121 Ca 0.08 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1u0x s THR 121 Cb -0.09 -1.08 0.08 0.00 1.34 0.00 0.00 72.50 72.75 1u0x s THR 121 CO -0.01 -0.20 -0.03 0.00 -0.54 0.00 0.00 174.62 173.84 1u0x s LEU 123 N 1.10 4.60 -0.10 0.00 2.96 -1.26 -1.51 118.68 124.47 1u0x s LEU 123 Ca -0.00 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 1u0x s LEU 123 Cb -0.19 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1u0x s LEU 123 CO -0.07 0.13 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.98 1u0x s HIS 124 N -0.91 1.58 -0.33 5.38 3.76 0.20 -4.63 115.29 120.36 1u0x s HIS 124 Ca 0.40 -0.75 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1u0x s HIS 124 Cb -0.24 -1.24 0.15 0.00 1.11 0.00 0.00 32.58 32.36 1u0x s HIS 124 CO 0.29 -0.46 0.35 0.21 -0.85 0.00 0.00 174.74 174.28 1u0x s LYS 125 N 1.33 0.47 7.06 1.40 2.20 -1.24 -1.52 119.74 129.45 1u0x s LYS 125 Ca -0.01 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1u0x s LYS 125 Cb -0.14 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 1u0x s LYS 125 CO -0.05 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.25 1u0x n GLY 126 N 4.85 3.29 2.13 5.54 0.00 -1.23 -1.88 105.19 117.89 1u0x n GLY 126 Ca 0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1u0x n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u0x n ASN 127 N 3.24 4.09 -4.84 1.61 0.23 -1.26 -4.94 115.26 113.38 1u0x n ASN 127 Ca 0.00 -3.43 -0.32 0.00 -0.53 0.00 0.00 54.58 50.30 1u0x n ASN 127 Cb 0.00 -0.80 -0.04 0.00 -2.08 0.00 0.00 39.78 36.86 1u0x n ASN 127 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1u0x s LYS 128 N -3.10 3.98 -0.37 -3.83 1.02 -0.79 -5.04 119.74 111.60 1u0x s LYS 128 Ca 0.55 0.87 -0.07 0.00 0.02 0.00 0.00 55.97 57.34 1u0x s LYS 128 Cb 0.45 -2.22 0.06 0.00 -0.52 0.00 0.00 37.83 35.60 1u0x s LYS 128 CO 0.12 -0.14 0.17 0.34 -0.92 0.00 0.00 175.35 174.91 1u0x s ASP 129 N -2.85 5.44 0.22 2.83 2.15 -1.26 -4.71 116.67 118.50 1u0x s ASP 129 Ca 0.58 -1.32 0.10 0.00 0.43 0.00 0.00 52.55 52.34 1u0x s ASP 129 Cb -0.10 -1.91 -0.05 0.00 -0.30 0.00 0.00 42.92 40.56 1u0x s ASP 129 CO 0.27 -0.42 -0.19 -0.22 -0.17 0.00 0.00 175.17 174.44 1u0x s LEU 130 N 1.40 2.51 0.00 -1.34 0.20 -1.26 -4.62 118.68 115.57 1u0x s LEU 130 Ca 0.01 -0.95 0.00 0.00 0.69 0.00 0.00 54.13 53.88 1u0x s LEU 130 Cb -0.21 -0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 44.59 1u0x s LEU 130 CO 0.02 -0.00 0.01 0.61 -0.29 0.00 0.00 176.35 176.70 1u0x n GLY 131 N -0.14 3.79 3.72 7.98 0.00 -1.26 -1.07 105.19 118.20 1u0x n GLY 131 Ca -0.09 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 1u0x n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u0x s ASP 132 N -2.69 6.71 -0.13 1.61 1.11 -1.26 -4.46 116.67 117.56 1u0x s ASP 132 Ca 0.01 2.48 0.02 0.00 0.18 0.00 0.00 52.55 55.24 1u0x s ASP 132 Cb 0.00 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1u0x s ASP 132 CO 0.01 -0.73 -0.17 -0.22 1.18 0.00 0.00 175.17 175.24 1u0x s LEU 133 N 0.98 1.87 -0.07 1.23 2.96 -0.65 -1.11 118.68 123.89 1u0x s LEU 133 Ca 0.66 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1u0x s LEU 133 Cb -0.40 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1u0x s LEU 133 CO 0.32 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 175.08 1u0x s TYR 134 N 1.09 3.23 -0.03 5.38 2.02 0.43 -0.52 117.35 128.95 1u0x s TYR 134 Ca -0.03 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1u0x s TYR 134 Cb -0.14 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1u0x s TYR 134 CO -0.05 0.52 -0.00 0.00 -1.57 0.00 0.00 175.55 174.44 1u0x s ALA 135 N -0.97 0.36 -0.09 3.71 0.00 -0.40 -1.02 121.76 123.35 1u0x s ALA 135 Ca 0.15 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1u0x s ALA 135 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1u0x s ALA 135 CO 0.05 -0.08 0.74 0.08 0.00 0.00 0.00 175.76 176.54 1u0x s VAL 136 N 1.05 5.00 0.13 0.00 1.01 0.10 -1.29 120.40 126.41 1u0x s VAL 136 Ca -0.09 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1u0x s VAL 136 Cb -0.14 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1u0x s VAL 136 CO -0.02 0.20 -0.15 -0.76 0.00 0.00 0.00 175.10 174.37 1u0x s LEU 137 N 1.13 2.82 0.02 3.92 1.43 0.25 -0.98 118.68 127.26 1u0x s LEU 137 Ca 0.38 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1u0x s LEU 137 Cb -0.18 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1u0x s LEU 137 CO 0.17 0.16 0.04 0.21 0.23 0.00 0.00 176.35 177.16 1u0x s ASN 138 N -2.32 0.21 0.46 2.29 3.84 -0.20 -1.92 114.94 117.30 1u0x s ASN 138 Ca 0.20 -0.51 0.24 0.00 0.21 0.00 0.00 52.86 53.01 1u0x s ASN 138 Cb -0.10 0.16 1.04 0.00 -0.55 0.00 0.00 41.25 41.80 1u0x s ASN 138 CO 0.12 -0.40 1.88 0.03 -2.79 0.00 0.00 177.10 175.94 1u0x h ARG 139 N 4.15 0.00 -4.91 0.43 2.47 -1.40 -0.75 114.38 114.36 1u0x h ARG 139 Ca -0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1u0x h ARG 139 Cb 1.19 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.28 1u0x h ARG 139 CO 0.46 0.21 -0.62 1.21 0.56 0.00 0.00 179.97 181.79 1u0x s ASN 140 N -6.20 5.15 0.67 7.04 3.84 -1.26 -4.82 114.94 119.36 1u0x s ASN 140 Ca -0.00 -0.31 0.44 0.00 0.21 0.00 0.00 52.86 53.21 1u0x s ASN 140 Cb 0.11 -1.92 2.41 0.00 -0.55 0.00 0.00 41.25 41.30 1u0x s ASN 140 CO 0.63 -0.07 2.37 0.07 -2.79 0.00 0.00 177.10 177.30 1u0x h LYS 141 N 8.25 0.00 -0.27 0.43 2.10 -1.94 -2.25 116.57 122.88 1u0x h LYS 141 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1u0x h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1u0x h LYS 141 CO 0.59 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.79 1u0x n ASP 142 N -3.09 2.97 -4.69 7.07 8.00 -1.26 -4.93 116.55 120.62 1u0x n ASP 142 Ca -0.03 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 1u0x n ASP 142 Cb 0.08 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1u0x n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u0x s ALA 143 N -1.28 3.50 0.47 2.24 0.00 -0.85 -5.00 121.76 120.85 1u0x s ALA 143 Ca 0.29 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1u0x s ALA 143 Cb 0.17 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1u0x s ALA 143 CO 0.24 -0.75 1.25 0.00 0.00 0.00 0.00 175.76 176.50 1u0x s ALA 144 N 2.05 2.98 0.05 0.00 0.00 -1.26 -4.94 121.76 120.64 1u0x s ALA 144 Ca 0.59 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1u0x s ALA 144 Cb -0.28 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1u0x s ALA 144 CO 0.25 -0.90 1.62 0.00 0.00 0.00 0.00 175.76 176.73 1u0x s ALA 145 N -1.42 3.66 0.81 0.00 0.00 -1.26 -4.99 121.76 118.57 1u0x s ALA 145 Ca 0.65 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 1u0x s ALA 145 Cb -0.34 -3.69 0.13 0.00 0.00 0.00 0.00 23.12 19.22 1u0x s ALA 145 CO 0.41 -1.11 1.14 0.20 0.00 0.00 0.00 175.76 176.40 1u0x s GLY 146 N 2.43 1.73 0.33 0.00 0.00 -1.26 -4.87 107.32 105.67 1u0x s GLY 146 Ca 0.72 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1u0x s GLY 146 CO 0.31 -0.60 1.93 -0.55 0.00 0.00 0.00 173.10 174.19 1u0x h ASP 147 N -1.01 0.69 0.44 1.64 3.32 -1.98 -1.61 116.42 117.91 1u0x h ASP 147 Ca -0.43 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1u0x h ASP 147 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1u0x h ASP 147 CO 0.48 0.60 -0.31 0.11 -1.72 0.00 0.00 179.24 178.40 1u0x h LYS 148 N 0.76 -0.71 -0.17 3.56 1.57 -1.99 0.55 116.57 120.14 1u0x h LYS 148 Ca 0.19 0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 1u0x h LYS 148 Cb 0.11 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1u0x h LYS 148 CO -0.02 -0.47 -0.48 -0.24 -0.57 0.00 0.00 179.45 177.66 1u0x h VAL 149 N -0.74 1.32 -0.53 0.50 3.04 -1.92 -2.20 116.25 115.72 1u0x h VAL 149 Ca -0.04 -1.70 -0.07 0.00 -1.01 0.00 0.00 66.70 63.88 1u0x h VAL 149 Cb 0.62 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 1u0x h VAL 149 CO 0.02 0.52 0.06 0.11 -1.01 0.00 0.00 177.57 177.27 1u0x h LYS 150 N 0.36 0.86 -0.72 4.17 1.57 -1.19 -1.29 116.57 120.34 1u0x h LYS 150 Ca 0.02 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1u0x h LYS 150 Cb 0.98 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1u0x h LYS 150 CO 0.09 0.83 0.30 0.77 -0.57 0.00 0.00 179.45 180.86 1u0x h SER 151 N 0.82 0.97 -0.45 0.86 0.02 -0.66 -1.68 113.55 113.42 1u0x h SER 151 Ca 0.17 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1u0x h SER 151 Cb 0.40 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1u0x h SER 151 CO 0.01 0.86 0.18 0.00 -1.14 0.00 0.00 176.83 176.74 1u0x h ALA 152 N 1.28 1.37 -0.31 3.77 0.00 -0.74 0.80 119.26 125.42 1u0x h ALA 152 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u0x h ALA 152 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u0x h ALA 152 CO -0.02 0.47 0.19 0.28 0.00 0.00 0.00 179.25 180.16 1u0x h VAL 153 N 0.73 1.11 -0.95 0.00 2.07 -0.74 -1.78 116.25 116.70 1u0x h VAL 153 Ca 0.17 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1u0x h VAL 153 Cb 0.18 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1u0x h VAL 153 CO -0.01 0.11 0.62 -1.28 0.02 0.00 0.00 177.57 177.03 1u0x h SER 154 N 0.40 1.10 0.89 0.57 0.87 -0.61 -2.16 113.55 114.61 1u0x h SER 154 Ca 0.11 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1u0x h SER 154 Cb 0.02 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1u0x h SER 154 CO -0.02 0.80 -0.06 0.00 -0.53 0.00 0.00 176.83 177.02 1u0x h ALA 155 N 1.39 1.03 -0.09 6.23 0.00 -0.39 0.72 119.26 128.15 1u0x h ALA 155 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1u0x h ALA 155 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u0x h ALA 155 CO -0.07 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1u0x n ALA 156 N -2.14 2.55 -3.54 0.00 0.00 -0.71 -4.91 120.51 111.76 1u0x n ALA 156 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1u0x n ALA 156 Cb 0.32 -1.16 0.08 0.00 0.00 0.00 0.00 19.45 18.68 1u0x n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u0x n THR 157 N -0.21 -3.05 -4.50 0.00 -1.04 0.25 -5.03 114.28 100.70 1u0x n THR 157 Ca 0.13 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.86 1u0x n THR 157 Cb 0.18 -3.95 -0.10 0.00 -1.82 0.00 0.00 70.33 64.64 1u0x n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1u0x s LEU 158 N -6.99 2.75 -0.25 -4.42 1.43 -0.86 -5.04 118.68 105.29 1u0x s LEU 158 Ca 0.53 -1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1u0x s LEU 158 Cb -0.23 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 44.93 1u0x s LEU 158 CO 0.70 -0.15 -0.05 -1.61 0.23 0.00 0.00 176.35 175.46 1u0x s GLU 159 N -3.60 2.81 0.51 1.70 0.41 -1.26 -3.70 118.70 115.56 1u0x s GLU 159 Ca 0.32 -1.00 0.17 0.00 -0.41 0.00 0.00 54.97 54.05 1u0x s GLU 159 Cb 0.00 -3.01 1.25 0.00 -1.78 0.00 0.00 34.13 30.59 1u0x s GLU 159 CO 0.17 -0.42 2.11 0.35 -0.49 0.00 0.00 175.26 176.97 1u0x h PHE 160 N 8.02 0.06 -0.06 1.61 3.57 -1.90 -1.33 116.94 126.90 1u0x h PHE 160 Ca -0.32 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.20 1u0x h PHE 160 Cb 1.10 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1u0x h PHE 160 CO 0.58 0.03 0.11 0.66 -2.23 0.00 0.00 178.31 177.47 1u0x h SER 161 N 0.06 0.00 1.10 0.41 4.64 -2.01 -0.54 113.55 117.21 1u0x h SER 161 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1u0x h SER 161 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1u0x h SER 161 CO -0.01 0.00 -0.46 0.11 -0.87 0.00 0.00 176.83 175.60 1u0x h LYS 162 N 0.00 0.00 -6.95 4.77 1.57 -1.66 -3.47 116.57 110.83 1u0x h LYS 162 Ca 0.03 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 1u0x h LYS 162 Cb 0.25 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.62 1u0x h LYS 162 CO -0.00 0.00 0.51 -0.06 -0.57 0.00 0.00 179.45 179.33 1u0x s PHE 163 N -3.17 3.01 -0.14 -1.35 0.40 -0.21 -4.90 117.98 111.62 1u0x s PHE 163 Ca 0.07 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.81 1u0x s PHE 163 Cb 0.12 -3.42 -0.05 0.00 0.51 0.00 0.00 43.02 40.18 1u0x s PHE 163 CO 0.69 -1.43 0.24 0.42 0.70 0.00 0.00 175.22 175.84 1u0x s ILE 164 N -1.41 5.34 0.32 0.64 -1.09 0.33 -4.82 121.20 120.50 1u0x s ILE 164 Ca 0.58 0.44 -0.19 0.00 -2.23 0.00 0.00 60.65 59.25 1u0x s ILE 164 Cb -0.31 -3.56 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1u0x s ILE 164 CO 0.39 0.46 0.80 -0.55 -1.23 0.00 0.00 174.94 174.82 1u0x s SER 165 N 0.00 6.94 0.00 3.58 0.15 -1.26 -0.95 113.70 122.16 1u0x s SER 165 Ca 0.15 1.46 0.24 0.00 0.70 0.00 0.00 55.95 58.50 1u0x s SER 165 Cb -0.13 -2.44 0.33 0.00 -1.71 0.00 0.00 66.02 62.07 1u0x s SER 165 CO 0.04 -0.17 1.34 0.35 1.20 0.00 0.00 173.24 176.00 1u0x n THR 166 N -0.07 0.13 0.25 6.45 -2.24 -0.40 -4.67 114.28 113.73 1u0x n THR 166 Ca 0.03 -0.54 0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1u0x n THR 166 Cb 0.52 1.27 0.52 0.00 -2.10 0.00 0.00 70.33 70.54 1u0x n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1u0x h LYS 167 N 4.41 0.00 -0.62 -0.78 2.10 -1.90 -2.91 116.57 116.87 1u0x h LYS 167 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1u0x h LYS 167 Cb 0.95 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.25 1u0x h LYS 167 CO 0.00 0.05 0.06 0.39 -2.00 0.00 0.00 179.45 177.95 1u0x n GLU 168 N -3.15 4.65 -0.22 0.07 -0.58 -1.26 -4.30 120.64 115.84 1u0x n GLU 168 Ca 0.01 -3.12 0.11 0.00 -0.42 0.00 0.00 57.16 53.75 1u0x n GLU 168 Cb 0.39 -2.26 0.23 0.00 -0.57 0.00 0.00 31.44 29.23 1u0x n GLU 168 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u0x n ASN 169 N 0.46 3.50 -2.57 1.62 5.03 -1.10 -4.98 115.26 117.22 1u0x n ASN 169 Ca 0.30 -1.98 -0.18 0.00 0.87 0.00 0.00 54.58 53.60 1u0x n ASN 169 Cb 1.24 -0.30 -0.00 0.00 -1.02 0.00 0.00 39.78 39.70 1u0x n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u0x n ASN 170 N 1.44 -4.99 -4.75 6.41 3.02 -1.26 -4.91 115.26 110.23 1u0x n ASN 170 Ca 0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 1u0x n ASN 170 Cb 0.59 -4.16 -0.04 0.00 -0.61 0.00 0.00 39.78 35.56 1u0x n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u0x s ALA 172 N -0.80 1.94 0.15 0.00 0.00 -1.26 -5.13 121.76 116.66 1u0x s ALA 172 Ca 0.46 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.53 1u0x s ALA 172 Cb -0.30 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1u0x s ALA 172 CO 0.37 0.45 -0.24 0.71 0.00 0.00 0.00 175.76 177.05 1u0x s TYR 173 N -0.43 2.12 -0.86 0.00 2.02 -1.26 -5.07 117.35 113.86 1u0x s TYR 173 Ca 0.06 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.25 1u0x s TYR 173 Cb -0.10 -1.11 0.22 0.00 -0.40 0.00 0.00 41.96 40.57 1u0x s TYR 173 CO 0.00 0.35 0.79 0.34 -1.57 0.00 0.00 175.55 175.46 1u0x s ASP 174 N -2.28 6.64 0.44 2.29 -1.08 -1.26 -4.90 116.67 116.52 1u0x s ASP 174 Ca 0.14 -2.92 0.11 0.00 -0.52 0.00 0.00 52.55 49.36 1u0x s ASP 174 Cb -0.09 -2.15 0.96 0.00 -1.46 0.00 0.00 42.92 40.18 1u0x s ASP 174 CO 0.07 -0.48 2.04 0.78 0.52 0.00 0.00 175.17 178.10 1u0x h ASN 175 N 7.40 0.24 -0.45 -0.34 4.21 -2.00 -2.48 115.58 122.17 1u0x h ASN 175 Ca 0.11 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.51 1u0x h ASN 175 Cb 0.99 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 1u0x h ASN 175 CO 0.80 0.25 -0.07 0.44 -1.29 0.00 0.00 177.43 177.55 1u0x h ASP 176 N 0.27 0.84 -0.50 5.81 3.32 -2.00 -1.58 116.42 122.58 1u0x h ASP 176 Ca 0.07 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1u0x h ASP 176 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1u0x h ASP 176 CO -0.00 0.99 0.09 -1.28 -1.72 0.00 0.00 179.24 177.31 1u0x h SER 177 N 0.68 0.80 -0.49 6.45 0.87 -1.80 -1.44 113.55 118.61 1u0x h SER 177 Ca 0.12 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1u0x h SER 177 Cb 0.60 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1u0x h SER 177 CO 0.04 0.85 0.26 -0.07 -0.53 0.00 0.00 176.83 177.39 1u0x h LEU 178 N 0.71 0.40 -0.46 2.23 3.38 -1.23 -0.45 115.31 119.89 1u0x h LEU 178 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1u0x h LEU 178 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1u0x h LEU 178 CO 0.01 0.28 0.11 0.11 0.09 0.00 0.00 178.44 179.04 1u0x h LYS 179 N 0.52 0.73 -0.06 1.13 1.57 -1.14 -3.04 116.57 116.29 1u0x h LYS 179 Ca 0.20 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1u0x h LYS 179 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1u0x h LYS 179 CO -0.12 0.73 -0.43 0.66 -0.57 0.00 0.00 179.45 179.72 1u0x h SER 180 N 0.61 0.14 0.35 0.86 4.64 -0.96 -2.90 113.55 116.28 1u0x h SER 180 Ca 0.14 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1u0x h SER 180 Cb 0.32 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1u0x h SER 180 CO 0.00 0.55 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.37 1u0x h LEU 181 N 0.11 0.00 -2.09 5.97 3.38 -0.97 -2.01 115.31 119.70 1u0x h LEU 181 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1u0x h LEU 181 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1u0x h LEU 181 CO 0.06 0.07 0.31 -0.07 0.09 0.00 0.00 178.44 178.90 1u0x h LEU 182 N 0.00 0.00 -0.52 1.67 3.38 -1.50 -1.39 115.31 116.95 1u0x h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u0x h LEU 182 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1u0x h LEU 182 CO 0.01 0.00 -0.12 0.35 0.09 0.00 0.00 178.44 178.77 1u0x n THR 183 N -3.92 0.00 0.89 0.22 -2.24 -0.75 -4.71 114.28 103.77 1u0x n THR 183 Ca 0.05 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1u0x n THR 183 Cb 0.47 0.22 0.09 0.00 -2.10 0.00 0.00 70.33 69.01 1u0x n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79