#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr s SER 2 N 0.00 2.11 0.00 3.54 0.01 -1.26 -5.15 113.70 112.96 1ujr s SER 2 Ca 0.00 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1ujr s SER 2 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ujr s SER 2 CO 0.00 -0.24 0.00 -1.20 0.41 0.00 0.00 173.24 172.21 1ujr n SER 3 N -0.12 0.00 0.00 2.44 7.64 -1.26 -5.17 113.62 117.14 1ujr n SER 3 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1ujr n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ujr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 4 N -0.09 -0.82 1.41 0.23 0.00 -1.26 -5.17 105.19 99.49 1ujr n GLY 4 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1ujr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujr n SER 5 N 0.00 -7.76 -4.66 1.61 7.64 -1.26 -4.77 113.62 104.43 1ujr n SER 5 Ca 0.00 1.37 -0.41 0.00 1.01 0.00 0.00 58.87 60.84 1ujr n SER 5 Cb 0.00 -4.80 0.01 0.00 -1.01 0.00 0.00 64.21 58.41 1ujr n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujr n SER 6 N -4.28 1.97 0.00 6.43 7.64 -1.26 -4.99 113.62 119.13 1ujr n SER 6 Ca -0.09 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1ujr n SER 6 Cb 0.67 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 7 N 0.98 1.67 3.63 0.23 0.00 -1.26 -4.91 105.19 105.52 1ujr n GLY 7 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1ujr n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujr n PHE 8 N 0.00 -1.73 -3.45 1.61 3.01 -1.26 -4.87 117.46 110.77 1ujr n PHE 8 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 57.45 59.00 1ujr n PHE 8 Cb 0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 39.48 36.79 1ujr n PHE 8 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ujr n LEU 9 N -3.83 0.00 0.00 4.37 4.77 -1.26 -5.11 117.00 115.95 1ujr n LEU 9 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ujr n LEU 9 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ujr n LEU 9 CO 0.60 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.99 1ujr n ASP 10 N -1.86 0.00 -3.98 -1.43 2.03 -1.26 -5.10 116.55 104.95 1ujr n ASP 10 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1ujr n ASP 10 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1ujr n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ujr s LYS 11 N 0.00 2.24 0.47 -0.67 -0.14 -1.26 -5.09 119.74 115.29 1ujr s LYS 11 Ca 0.00 -2.76 -0.21 0.00 -1.36 0.00 0.00 55.97 51.65 1ujr s LYS 11 Cb 0.00 -3.45 -0.09 0.00 -1.68 0.00 0.00 37.83 32.61 1ujr s LYS 11 CO 0.00 -1.16 1.04 -1.25 -0.76 0.00 0.00 175.35 173.22 1ujr s PRO 12 N -0.49 3.86 0.20 -1.68 0.04 -1.26 -5.06 135.00 130.61 1ujr s PRO 12 Ca 0.19 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 1ujr s PRO 12 Cb -0.21 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1ujr s PRO 12 CO -0.04 -0.38 0.20 0.99 0.04 0.00 0.00 177.00 177.81 1ujr s THR 13 N -1.93 0.01 0.00 1.26 2.01 -1.26 -5.16 115.64 110.57 1ujr s THR 13 Ca 0.66 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1ujr s THR 13 Cb -0.17 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1ujr s THR 13 CO 0.21 -0.04 0.00 0.18 -0.69 0.00 0.00 174.62 174.28 1ujr n LEU 14 N -0.28 0.00 -4.11 4.42 4.77 -1.26 -5.16 117.00 115.38 1ujr n LEU 14 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 1ujr n LEU 14 Cb 0.65 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.89 1ujr n LEU 14 CO 0.31 0.00 -0.35 0.00 -1.33 0.00 0.00 177.39 176.01 1ujr n LEU 15 N 0.00 -1.83 -4.62 2.23 -0.00 -1.26 -5.03 117.00 106.49 1ujr n LEU 15 Ca 0.00 -0.27 -0.28 0.00 -0.00 0.00 0.00 56.01 55.46 1ujr n LEU 15 Cb 0.00 -0.81 -0.11 0.00 -0.00 0.00 0.00 43.42 42.50 1ujr n LEU 15 CO 0.00 -3.14 -0.29 -0.94 -0.00 0.00 0.00 177.39 173.02 1ujr s SER 16 N -1.86 3.85 0.00 1.45 1.04 -1.26 -5.02 113.70 111.90 1ujr s SER 16 Ca 0.44 -1.38 0.22 0.00 0.48 0.00 0.00 55.95 55.70 1ujr s SER 16 Cb -0.07 -0.34 0.96 0.00 0.10 0.00 0.00 66.02 66.67 1ujr s SER 16 CO 0.48 -0.48 1.70 -0.81 0.98 0.00 0.00 173.24 175.12 1ujr n PRO 17 N -0.98 0.05 -0.01 4.02 -0.04 -1.26 -2.87 135.00 133.91 1ujr n PRO 17 Ca -0.06 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1ujr n PRO 17 Cb 0.67 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1ujr n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ujr n GLU 18 N -1.47 0.72 0.09 0.54 1.02 -1.26 -3.66 120.64 116.62 1ujr n GLU 18 Ca 0.06 0.26 0.18 0.00 -0.02 0.00 0.00 57.16 57.64 1ujr n GLU 18 Cb 0.24 -1.72 0.72 0.00 -0.02 0.00 0.00 31.44 30.66 1ujr n GLU 18 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujr h GLU 19 N 0.05 0.00 0.03 3.49 4.39 -1.93 1.24 114.58 121.85 1ujr h GLU 19 Ca -0.40 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.14 1ujr h GLU 19 Cb 2.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.69 1ujr h GLU 19 CO 0.08 0.00 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.21 1ujr h LEU 20 N 0.00 0.51 -0.32 1.33 3.38 -1.69 -3.28 115.31 115.24 1ujr h LEU 20 Ca 0.17 -0.81 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 1ujr h LEU 20 Cb 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1ujr h LEU 20 CO -0.00 1.25 -0.14 0.11 0.09 0.00 0.00 178.44 179.75 1ujr h LYS 21 N -0.18 0.65 -1.64 1.13 6.56 -1.11 -2.62 116.57 119.37 1ujr h LYS 21 Ca -0.09 -0.28 0.48 0.00 -1.06 0.00 0.00 60.65 59.70 1ujr h LYS 21 Cb 1.38 -0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.95 1ujr h LYS 21 CO 0.12 0.87 1.18 0.00 -2.06 0.00 0.00 179.45 179.56 1ujr h ALA 22 N 0.77 3.53 -0.23 3.86 0.00 0.14 0.20 119.26 127.53 1ujr h ALA 22 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ujr h ALA 22 Cb 0.66 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1ujr h ALA 22 CO 0.04 -2.01 -0.21 0.00 0.00 0.00 0.00 179.25 177.08 1ujr h ALA 23 N 1.19 -0.36 0.00 0.00 0.00 -1.52 -0.73 119.26 117.83 1ujr h ALA 23 Ca 0.79 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1ujr h ALA 23 Cb 3.13 0.97 0.00 0.00 0.00 0.00 0.00 17.79 21.89 1ujr h ALA 23 CO -0.03 -0.48 -0.86 0.43 0.00 0.00 0.00 179.25 178.31 1ujr n SER 24 N -3.72 1.86 -0.45 0.00 7.64 -0.05 -4.39 113.62 114.50 1ujr n SER 24 Ca -0.01 0.39 0.38 0.00 1.01 0.00 0.00 58.87 60.65 1ujr n SER 24 Cb 0.11 -0.76 0.66 0.00 -1.01 0.00 0.00 64.21 63.20 1ujr n SER 24 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ujr h ARG 25 N -0.97 0.06 -0.74 1.43 2.47 -0.85 1.07 114.38 116.84 1ujr h ARG 25 Ca 0.00 -0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.93 1ujr h ARG 25 Cb 0.86 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 1ujr h ARG 25 CO 0.00 0.04 0.91 0.78 0.56 0.00 0.00 179.97 182.26 1ujr h GLY 26 N 0.06 0.00 1.71 0.04 0.00 -1.07 1.36 103.07 105.17 1ujr h GLY 26 Ca 0.84 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1ujr h GLY 26 CO -0.44 0.00 0.12 3.43 0.00 0.00 0.00 176.54 179.65 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 4.21 0.10 -3.13 115.58 116.96 1ujr h ASN 27 Ca 0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 1ujr h ASN 27 Cb 2.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.37 1ujr h ASN 27 CO -0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 1ujr n GLY 28 N -1.24 -3.27 0.00 2.83 0.00 0.47 -4.95 105.19 99.01 1ujr n GLY 28 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ujr n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujr n GLU 29 N -1.42 0.00 -3.99 1.61 -0.58 0.97 -4.86 120.64 112.38 1ujr n GLU 29 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1ujr n GLU 29 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1ujr s TYR 30 N 0.56 0.30 0.38 -0.32 -0.85 -1.26 -0.08 117.35 116.08 1ujr s TYR 30 Ca 0.00 -0.65 0.04 0.00 -0.52 0.00 0.00 57.07 55.94 1ujr s TYR 30 Cb 0.00 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 1ujr s TYR 30 CO 0.00 -0.29 0.07 0.00 -1.52 0.00 0.00 175.55 173.81 1ujr s ALA 31 N -2.43 2.79 0.05 9.51 0.00 0.13 -4.56 121.76 127.25 1ujr s ALA 31 Ca -0.07 -1.62 0.08 0.00 0.00 0.00 0.00 51.96 50.35 1ujr s ALA 31 Cb -0.03 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1ujr s ALA 31 CO -0.04 -0.27 -0.22 -1.58 0.00 0.00 0.00 175.76 173.65 1ujr s TRP 32 N -3.18 2.46 0.14 0.00 0.52 -1.26 0.31 118.94 117.92 1ujr s TRP 32 Ca 0.29 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1ujr s TRP 32 Cb 0.06 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1ujr s TRP 32 CO 0.14 0.21 -0.06 0.71 0.02 0.00 0.00 176.95 177.97 1ujr s TYR 33 N -0.89 1.14 0.13 -1.98 1.51 0.10 -3.64 117.35 113.72 1ujr s TYR 33 Ca 0.14 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 1ujr s TYR 33 Cb -0.10 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1ujr s TYR 33 CO 0.04 -0.06 -0.12 1.52 -1.11 0.00 0.00 175.55 175.81 1ujr s TYR 34 N -3.50 1.33 -0.25 2.71 1.13 0.12 0.16 117.35 119.04 1ujr s TYR 34 Ca 0.17 -0.62 -0.28 0.00 -1.41 0.00 0.00 57.07 54.93 1ujr s TYR 34 Cb 0.04 -0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 1ujr s TYR 34 CO -0.00 0.12 2.17 -2.00 -2.51 0.00 0.00 175.55 173.32 1ujr s GLU 35 N -3.01 3.09 0.00 -3.49 2.12 0.13 0.03 118.70 117.58 1ujr s GLU 35 Ca 0.11 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.33 1ujr s GLU 35 Cb -0.03 -4.36 0.00 0.00 0.26 0.00 0.00 34.13 30.00 1ujr s GLU 35 CO 0.02 -2.15 0.00 0.41 -0.54 0.00 0.00 175.26 173.00 1ujr n GLY 36 N 5.73 5.84 0.19 -1.50 0.00 0.14 -4.80 105.19 110.79 1ujr n GLY 36 Ca 0.29 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 1ujr n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujr h ARG 37 N 0.00 -0.44 -1.01 1.61 -0.00 -1.95 -3.22 114.38 109.37 1ujr h ARG 37 Ca 0.00 0.03 0.12 0.00 -0.50 0.00 0.00 59.98 59.63 1ujr h ARG 37 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 29.97 29.99 1ujr h ARG 37 CO 0.00 -0.29 0.64 -0.97 0.00 0.00 0.00 179.97 179.34 1ujr h ASN 38 N -0.64 0.94 0.00 7.04 -0.73 -1.99 -3.46 115.58 116.74 1ujr h ASN 38 Ca -0.05 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1ujr h ASN 38 Cb 0.35 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1ujr h ASN 38 CO 0.08 0.51 0.00 0.61 -0.37 0.00 0.00 177.43 178.26 1ujr n GLY 39 N -1.35 -0.92 2.95 1.57 0.00 -1.22 -5.10 105.19 101.13 1ujr n GLY 39 Ca 0.19 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.37 1ujr n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ujr s TRP 40 N 0.00 1.31 0.12 1.61 0.52 -1.26 0.23 118.94 121.48 1ujr s TRP 40 Ca 0.00 -0.53 0.09 0.00 0.02 0.00 0.00 56.10 55.68 1ujr s TRP 40 Cb 0.00 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1ujr s TRP 40 CO 0.00 -0.34 -0.18 -1.58 0.02 0.00 0.00 176.95 174.87 1ujr s TRP 41 N 1.08 2.52 0.46 -1.98 0.23 0.10 -4.82 118.94 116.54 1ujr s TRP 41 Ca -0.07 -0.27 -0.03 0.00 -2.03 0.00 0.00 56.10 53.70 1ujr s TRP 41 Cb -0.14 -1.33 -0.03 0.00 0.03 0.00 0.00 33.47 32.00 1ujr s TRP 41 CO -0.01 0.40 0.73 -1.14 0.96 0.00 0.00 176.95 177.89 1ujr s GLN 42 N -2.19 3.41 0.49 4.98 0.74 -1.26 0.10 119.66 125.92 1ujr s GLN 42 Ca 0.18 -0.02 -0.03 0.00 0.05 0.00 0.00 55.36 55.55 1ujr s GLN 42 Cb -0.10 -2.45 0.10 0.00 1.10 0.00 0.00 33.01 31.66 1ujr s GLN 42 CO 0.10 -0.19 0.66 0.66 -0.55 0.00 0.00 175.29 175.98 1ujr n TYR 43 N -2.17 -3.32 0.00 1.67 4.01 -1.24 -4.91 117.16 111.20 1ujr n TYR 43 Ca -0.00 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.74 1ujr n TYR 43 Cb 0.56 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1ujr n TYR 43 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ujr n ASP 44 N -3.08 0.00 0.00 7.72 9.92 -1.26 -4.98 116.55 124.86 1ujr n ASP 44 Ca 0.10 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 1ujr n ASP 44 Cb 0.36 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ujr n GLU 45 N -1.28 0.00 -0.03 -1.24 2.13 -1.26 -4.98 120.64 113.98 1ujr n GLU 45 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1ujr n GLU 45 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1ujr n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ujr h ARG 46 N 0.00 0.11 -0.80 5.31 2.47 -1.98 -2.60 114.38 116.88 1ujr h ARG 46 Ca 0.00 -0.06 0.12 0.00 -1.26 0.00 0.00 59.98 58.78 1ujr h ARG 46 Cb 0.00 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.19 1ujr h ARG 46 CO 0.00 0.58 -0.39 1.15 0.56 0.00 0.00 179.97 181.87 1ujr h THR 47 N -0.35 0.07 -0.93 2.04 2.02 -1.96 0.68 112.91 114.48 1ujr h THR 47 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ujr h THR 47 Cb 0.56 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1ujr h THR 47 CO 0.01 0.00 0.61 0.77 0.37 0.00 0.00 175.52 177.28 1ujr h SER 48 N -0.09 1.08 -0.59 4.18 4.64 -1.94 -0.39 113.55 120.44 1ujr h SER 48 Ca 0.27 -0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.73 1ujr h SER 48 Cb 0.57 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1ujr h SER 48 CO -0.84 0.78 0.45 0.03 -0.87 0.00 0.00 176.83 176.38 1ujr h ARG 49 N 1.27 0.00 0.00 4.77 2.47 0.72 0.51 114.38 124.12 1ujr h ARG 49 Ca 0.34 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.89 1ujr h ARG 49 Cb -0.14 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 1ujr h ARG 49 CO -0.07 0.00 -1.38 0.93 0.56 0.00 0.00 179.97 180.01 1ujr h GLU 50 N 0.00 0.00 0.29 0.04 4.39 0.33 -3.16 114.58 116.48 1ujr h GLU 50 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1ujr h GLU 50 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1ujr h GLU 50 CO -0.00 0.31 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.95 1ujr h LEU 51 N 0.00 -0.33 -0.25 1.33 3.38 0.12 -1.94 115.31 117.62 1ujr h LEU 51 Ca -0.16 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ujr h LEU 51 Cb 1.60 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.38 1ujr h LEU 51 CO 0.05 0.15 -0.11 1.05 0.09 0.00 0.00 178.44 179.66 1ujr h GLU 52 N -1.00 -0.07 -0.02 1.13 4.11 -0.58 1.00 114.58 119.15 1ujr h GLU 52 Ca -0.04 0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.43 1ujr h GLU 52 Cb 0.46 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1ujr h GLU 52 CO 0.07 -0.05 -0.39 -0.44 0.07 0.00 0.00 179.01 178.26 1ujr h ASP 53 N -0.08 -1.20 0.57 3.06 5.19 -1.64 0.34 116.42 122.66 1ujr h ASP 53 Ca 0.13 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1ujr h ASP 53 Cb 0.27 0.47 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1ujr h ASP 53 CO -0.30 -0.44 -0.34 0.00 -3.12 0.00 0.00 179.24 175.04 1ujr h ALA 54 N 0.06 -1.17 -0.95 3.45 0.00 -0.78 0.13 119.26 119.99 1ujr h ALA 54 Ca 0.05 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.08 1ujr h ALA 54 Cb 0.63 0.44 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 1ujr h ALA 54 CO -0.31 -1.14 0.13 0.34 0.00 0.00 0.00 179.25 178.26 1ujr n PHE 55 N -4.51 0.71 0.23 0.00 7.35 0.34 0.13 117.46 121.72 1ujr n PHE 55 Ca -0.10 1.14 -0.14 0.00 -0.76 0.00 0.00 57.45 57.59 1ujr n PHE 55 Cb 0.35 -1.28 -0.08 0.00 0.35 0.00 0.00 39.48 38.82 1ujr n PHE 55 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ujr h SER 56 N 0.00 -0.51 -0.94 -2.13 0.87 0.05 -3.01 113.55 107.88 1ujr h SER 56 Ca 0.63 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 61.26 1ujr h SER 56 Cb 1.39 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 63.39 1ujr h SER 56 CO -0.86 -0.17 0.54 0.11 -0.53 0.00 0.00 176.83 175.93 1ujr h LYS 57 N -0.90 0.72 0.00 2.24 1.57 0.25 -3.45 116.57 117.00 1ujr h LYS 57 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ujr h LYS 57 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ujr h LYS 57 CO 0.10 0.48 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 1ujr n GLY 58 N -1.33 1.20 3.66 3.86 0.00 0.34 -5.06 105.19 107.86 1ujr n GLY 58 Ca 0.20 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.61 1ujr n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujr n LYS 59 N -0.37 0.47 0.21 1.61 5.02 -1.10 -4.84 118.16 119.15 1ujr n LYS 59 Ca 0.00 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1ujr n LYS 59 Cb 0.00 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 1ujr n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ujr h LYS 60 N 5.03 -0.50 -6.38 1.97 6.56 -1.93 -3.41 116.57 117.91 1ujr h LYS 60 Ca -0.47 0.03 -0.69 0.00 -1.06 0.00 0.00 60.65 58.47 1ujr h LYS 60 Cb 1.37 0.11 -0.22 0.00 -0.57 0.00 0.00 32.23 32.92 1ujr h LYS 60 CO 0.87 -0.21 -0.77 0.54 -2.06 0.00 0.00 179.45 177.81 1ujr s ASN 61 N -4.90 4.04 0.16 0.86 2.20 -1.26 0.37 114.94 116.41 1ujr s ASN 61 Ca -0.15 -0.24 0.10 0.00 -0.94 0.00 0.00 52.86 51.63 1ujr s ASN 61 Cb 0.03 -0.82 -0.04 0.00 -2.00 0.00 0.00 41.25 38.42 1ujr s ASN 61 CO 0.56 0.32 -0.21 0.28 -2.94 0.00 0.00 177.10 175.10 1ujr s THR 62 N -0.80 2.00 0.05 0.54 -1.32 0.14 -4.92 115.64 111.33 1ujr s THR 62 Ca 0.13 -1.87 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 1ujr s THR 62 Cb -0.11 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1ujr s THR 62 CO 0.02 -0.17 -0.06 -1.61 -2.21 0.00 0.00 174.62 170.60 1ujr s GLU 63 N -2.53 2.46 -0.28 7.08 2.02 -1.26 0.27 118.70 126.47 1ujr s GLU 63 Ca 0.15 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 1ujr s GLU 63 Cb -0.08 -2.47 0.12 0.00 0.10 0.00 0.00 34.13 31.80 1ujr s GLU 63 CO 0.07 0.57 0.60 0.00 0.02 0.00 0.00 175.26 176.52 1ujr s MET 64 N -1.83 0.53 -0.47 1.61 0.23 0.13 -4.94 119.30 114.56 1ujr s MET 64 Ca 0.20 1.35 -0.28 0.00 -1.03 0.00 0.00 55.69 55.93 1ujr s MET 64 Cb -0.11 0.71 0.03 0.00 -1.53 0.00 0.00 34.83 33.93 1ujr s MET 64 CO 0.12 -0.21 1.07 -1.17 -2.03 0.00 0.00 175.02 172.80 1ujr s LEU 65 N 2.75 3.75 0.58 0.18 2.96 -1.26 -0.03 118.68 127.60 1ujr s LEU 65 Ca -0.05 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1ujr s LEU 65 Cb -0.12 -3.45 0.08 0.00 0.50 0.00 0.00 46.19 43.21 1ujr s LEU 65 CO -0.18 -1.18 0.80 -0.63 -1.32 0.00 0.00 176.35 173.84 1ujr s ILE 66 N 4.22 2.31 -0.90 6.68 -1.09 0.14 -4.89 121.20 127.67 1ujr s ILE 66 Ca 0.45 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.83 1ujr s ILE 66 Cb -0.08 -2.41 -0.28 0.00 -1.58 0.00 0.00 42.46 38.11 1ujr s ILE 66 CO 0.30 0.00 2.08 0.00 -1.23 0.00 0.00 174.94 176.08 1ujr n ALA 67 N -2.31 0.82 -4.15 9.38 0.00 -1.26 0.33 120.51 123.32 1ujr n ALA 67 Ca 0.14 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 1ujr n ALA 67 Cb 0.61 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.86 1ujr n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ujr n GLY 68 N 5.22 -0.18 3.15 0.00 0.00 -1.26 -4.92 105.19 107.20 1ujr n GLY 68 Ca 0.61 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.84 1ujr n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 69 N -4.18 -1.12 -0.14 1.61 0.08 0.15 -5.13 117.98 109.25 1ujr s PHE 69 Ca 0.01 1.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.95 1ujr s PHE 69 Cb -0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 43.02 42.81 1ujr s PHE 69 CO 0.95 -0.62 1.37 -1.17 -0.10 0.00 0.00 175.22 175.65 1ujr s LEU 70 N 2.90 4.22 0.30 -0.37 0.20 -1.26 0.24 118.68 124.91 1ujr s LEU 70 Ca 0.11 1.83 0.11 0.00 0.69 0.00 0.00 54.13 56.88 1ujr s LEU 70 Cb -0.13 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.04 1ujr s LEU 70 CO -0.17 -0.80 -0.15 -0.31 -0.29 0.00 0.00 176.35 174.63 1ujr s TYR 71 N 3.64 2.36 0.01 5.38 2.02 0.95 0.09 117.35 131.79 1ujr s TYR 71 Ca 0.60 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 1ujr s TYR 71 Cb -0.25 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 1ujr s TYR 71 CO 0.18 0.66 -0.05 0.14 -1.57 0.00 0.00 175.55 174.92 1ujr s VAL 72 N -2.53 0.35 -0.19 0.71 -7.23 0.17 0.21 120.40 111.88 1ujr s VAL 72 Ca 0.31 -0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.93 1ujr s VAL 72 Cb -0.03 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 1ujr s VAL 72 CO 0.16 -0.12 -0.06 0.00 -0.31 0.00 0.00 175.10 174.77 1ujr s ALA 73 N -0.62 2.81 -0.64 1.32 0.00 0.14 -0.06 121.76 124.71 1ujr s ALA 73 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 1ujr s ALA 73 Cb -0.05 -1.57 0.15 0.00 0.00 0.00 0.00 23.12 21.65 1ujr s ALA 73 CO -0.00 -0.16 0.62 -0.51 0.00 0.00 0.00 175.76 175.71 1ujr s ASP 74 N 1.02 6.36 0.39 0.00 1.01 0.18 0.25 116.67 125.89 1ujr s ASP 74 Ca 0.00 -1.99 0.14 0.00 0.71 0.00 0.00 52.55 51.41 1ujr s ASP 74 Cb -0.15 -2.23 0.80 0.00 1.01 0.00 0.00 42.92 42.35 1ujr s ASP 74 CO -0.00 -0.83 1.86 -0.07 0.21 0.00 0.00 175.17 176.34 1ujr h LEU 75 N 8.79 0.00 -0.33 1.23 3.38 -0.31 1.62 115.31 129.70 1ujr h LEU 75 Ca -0.17 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1ujr h LEU 75 Cb 1.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1ujr h LEU 75 CO 0.97 0.33 -0.20 -0.33 0.09 0.00 0.00 178.44 179.31 1ujr h GLU 76 N 0.00 -0.15 -0.01 1.13 5.08 -1.87 -2.07 114.58 116.69 1ujr h GLU 76 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ujr h GLU 76 Cb 0.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ujr h GLU 76 CO 0.04 -0.10 -0.39 0.09 -1.00 0.00 0.00 179.01 177.65 1ujr n ASN 77 N -5.36 1.89 -2.96 1.42 4.13 -1.11 -4.99 115.26 108.27 1ujr n ASN 77 Ca 0.01 -1.45 -0.13 0.00 1.68 0.00 0.00 54.58 54.69 1ujr n ASN 77 Cb 0.28 0.45 0.06 0.00 -1.54 0.00 0.00 39.78 39.03 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1ujr n MET 78 N -0.00 -3.30 -2.71 3.52 2.81 0.51 -4.87 117.12 113.08 1ujr n MET 78 Ca 0.08 0.71 -0.06 0.00 -1.81 0.00 0.00 57.70 56.62 1ujr n MET 78 Cb 0.41 -5.14 -0.02 0.00 -0.71 0.00 0.00 33.22 27.76 1ujr n MET 78 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1ujr n VAL 79 N -3.18 0.00 -3.69 2.03 0.24 0.12 -0.09 118.33 113.75 1ujr n VAL 79 Ca -0.13 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 61.30 1ujr n VAL 79 Cb 0.62 0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 33.25 1ujr n VAL 79 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ujr s GLN 80 N -2.43 0.45 0.04 7.34 -0.21 0.17 0.52 119.66 125.54 1ujr s GLN 80 Ca 0.12 0.81 -0.03 0.00 0.02 0.00 0.00 55.36 56.28 1ujr s GLN 80 Cb 0.01 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 1ujr s GLN 80 CO 0.08 -0.14 0.02 1.52 -2.12 0.00 0.00 175.29 174.66 1ujr s TYR 81 N 1.23 0.34 0.94 0.91 1.13 0.91 0.65 117.35 123.46 1ujr s TYR 81 Ca -0.08 -0.74 -0.11 0.00 -1.41 0.00 0.00 57.07 54.73 1ujr s TYR 81 Cb -0.07 -0.25 0.16 0.00 -1.10 0.00 0.00 41.96 40.70 1ujr s TYR 81 CO -0.11 -0.35 1.09 0.50 -2.51 0.00 0.00 175.55 174.17 1ujr s ARG 82 N -2.98 0.85 0.00 -3.49 3.52 0.10 0.41 118.95 117.37 1ujr s ARG 82 Ca -0.02 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1ujr s ARG 82 Cb 0.01 -1.74 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 1ujr s ARG 82 CO -0.06 -2.59 0.25 0.54 -0.81 0.00 0.00 175.30 172.63 1ujr n ARG 83 N -4.16 0.00 0.13 5.12 5.12 0.11 -3.96 116.66 119.02 1ujr n ARG 83 Ca 0.08 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 56.10 1ujr n ARG 83 Cb 0.54 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.85 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1ujr h ASN 84 N 0.00 -0.28 -1.58 0.55 -1.24 -1.95 -3.35 115.58 107.73 1ujr h ASN 84 Ca 0.00 -0.21 -0.69 0.00 0.71 0.00 0.00 56.30 56.11 1ujr h ASN 84 Cb 0.00 0.07 -0.13 0.00 0.73 0.00 0.00 38.32 38.99 1ujr h ASN 84 CO 0.00 0.08 1.60 -1.61 -1.29 0.00 0.00 177.43 176.21 1ujr s GLU 85 N -4.70 3.90 0.62 6.67 0.41 -1.26 -4.77 118.70 119.58 1ujr s GLU 85 Ca -0.14 -2.03 0.41 0.00 -0.41 0.00 0.00 54.97 52.81 1ujr s GLU 85 Cb 0.02 -5.26 2.23 0.00 -1.78 0.00 0.00 34.13 29.35 1ujr s GLU 85 CO 0.57 -2.01 2.27 1.12 -0.49 0.00 0.00 175.26 176.72 1ujr h HIS 86 N 7.97 0.00 0.23 1.61 2.07 -1.70 -2.92 115.15 122.40 1ujr h HIS 86 Ca 0.32 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.84 1ujr h HIS 86 Cb 0.92 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.88 1ujr h HIS 86 CO 1.26 0.00 -0.26 0.78 -3.07 0.00 0.00 177.93 176.64 1ujr h GLY 87 N 0.10 -1.01 -6.77 6.13 0.00 -1.88 -3.40 103.07 96.23 1ujr h GLY 87 Ca 0.00 0.47 -0.61 0.00 0.00 0.00 0.00 47.33 47.18 1ujr h GLY 87 CO 0.00 -0.33 1.42 0.54 0.00 0.00 0.00 176.54 178.18 1ujr n ARG 88 N -3.91 1.77 -3.82 4.80 5.12 -1.11 -4.88 116.66 114.63 1ujr n ARG 88 Ca -0.06 0.51 -0.06 0.00 -1.93 0.00 0.00 57.85 56.32 1ujr n ARG 88 Cb 0.23 -2.94 -0.01 0.00 -1.16 0.00 0.00 32.46 28.58 1ujr n ARG 88 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ujr s ARG 89 N 6.01 1.65 0.11 5.56 1.04 -1.26 0.02 118.95 132.08 1ujr s ARG 89 Ca 1.02 -0.96 -0.26 0.00 -1.04 0.00 0.00 55.73 54.49 1ujr s ARG 89 Cb -0.53 0.54 0.08 0.00 -2.04 0.00 0.00 34.95 32.99 1ujr s ARG 89 CO 0.41 -0.76 1.03 1.03 -0.04 0.00 0.00 175.30 176.97 1ujr s ARG 90 N -3.35 1.00 0.41 3.89 0.52 0.21 -4.95 118.95 116.68 1ujr s ARG 90 Ca 0.13 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.65 1ujr s ARG 90 Cb -0.04 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.69 1ujr s ARG 90 CO 0.06 -0.46 0.83 0.21 0.02 0.00 0.00 175.30 175.96 1ujr s LYS 91 N -3.09 3.93 0.10 3.54 2.20 -1.26 0.44 119.74 125.59 1ujr s LYS 91 Ca 0.12 0.70 0.05 0.00 -0.36 0.00 0.00 55.97 56.48 1ujr s LYS 91 Cb -0.00 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1ujr s LYS 91 CO 0.00 -0.03 -0.13 0.96 -0.36 0.00 0.00 175.35 175.79 1ujr s ILE 92 N -2.30 1.15 0.08 5.43 -4.36 0.87 0.20 121.20 122.27 1ujr s ILE 92 Ca 0.55 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 59.37 1ujr s ILE 92 Cb -0.10 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 1ujr s ILE 92 CO 0.25 -0.38 0.05 -1.59 0.24 0.00 0.00 174.94 173.51 1ujr s LYS 93 N -2.35 0.75 -0.30 0.37 -2.85 0.12 -4.62 119.74 110.88 1ujr s LYS 93 Ca 0.04 -1.22 -0.09 0.00 -1.00 0.00 0.00 55.97 53.70 1ujr s LYS 93 Cb -0.06 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1ujr s LYS 93 CO 0.02 -0.19 0.14 0.50 0.10 0.00 0.00 175.35 175.92 1ujr s ARG 94 N -3.94 3.36 0.52 1.78 3.52 -1.26 0.01 118.95 122.93 1ujr s ARG 94 Ca 0.11 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1ujr s ARG 94 Cb 0.07 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1ujr s ARG 94 CO -0.07 -0.39 0.45 0.34 -0.81 0.00 0.00 175.30 174.82 1ujr s ASP 95 N 1.61 4.79 0.02 -2.12 2.15 0.15 -4.94 116.67 118.32 1ujr s ASP 95 Ca 0.05 -1.06 -0.08 0.00 0.43 0.00 0.00 52.55 51.88 1ujr s ASP 95 Cb -0.17 0.15 -0.05 0.00 -0.30 0.00 0.00 42.92 42.55 1ujr s ASP 95 CO 0.06 -1.03 0.31 -0.63 -0.17 0.00 0.00 175.17 173.71 1ujr s ILE 96 N -2.68 5.24 0.24 4.11 -1.09 -1.26 0.20 121.20 125.95 1ujr s ILE 96 Ca 0.42 0.31 0.08 0.00 -2.23 0.00 0.00 60.65 59.23 1ujr s ILE 96 Cb -0.03 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1ujr s ILE 96 CO 0.26 0.39 -0.13 -0.51 -1.23 0.00 0.00 174.94 173.71 1ujr s ILE 97 N -1.28 1.85 -0.51 2.92 2.07 0.89 -4.47 121.20 122.67 1ujr s ILE 97 Ca 0.28 -2.23 0.07 0.00 -1.41 0.00 0.00 60.65 57.36 1ujr s ILE 97 Cb -0.14 -2.18 0.33 0.00 0.13 0.00 0.00 42.46 40.60 1ujr s ILE 97 CO 0.15 -0.49 0.84 -0.90 -1.91 0.00 0.00 174.94 172.63 1ujr n ASP 98 N -0.47 3.07 -4.03 4.50 5.75 -1.26 -0.02 116.55 124.09 1ujr n ASP 98 Ca -0.07 -3.40 -0.18 0.00 -0.01 0.00 0.00 54.79 51.13 1ujr n ASP 98 Cb 0.61 -0.59 -0.14 0.00 -1.03 0.00 0.00 41.12 39.96 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ujr s ILE 99 N -3.47 0.71 -1.23 2.12 1.01 -1.26 -4.92 121.20 114.16 1ujr s ILE 99 Ca 0.45 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 1ujr s ILE 99 Cb 0.28 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 1ujr s ILE 99 CO -0.11 0.14 1.83 -2.16 0.00 0.00 0.00 174.94 174.64 1ujr s PRO 100 N -0.38 3.24 -0.19 2.79 0.04 -1.26 -4.18 135.00 135.06 1ujr s PRO 100 Ca 0.02 -1.55 -0.02 0.00 0.04 0.00 0.00 61.00 59.50 1ujr s PRO 100 Cb -0.04 -5.39 -0.22 0.00 0.04 0.00 0.00 34.50 28.90 1ujr s PRO 100 CO -0.00 -3.09 0.08 1.17 0.04 0.00 0.00 177.00 175.19 1ujr n LYS 101 N 8.37 0.71 -0.01 4.56 4.81 -1.26 -3.98 118.16 131.36 1ujr n LYS 101 Ca 0.46 0.21 -0.13 0.00 -0.87 0.00 0.00 58.31 57.98 1ujr n LYS 101 Cb 0.46 -1.62 -0.10 0.00 0.02 0.00 0.00 35.03 33.80 1ujr n LYS 101 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ujr h LYS 102 N 0.04 -0.02 -0.15 1.64 1.57 -1.92 -3.34 116.57 114.39 1ujr h LYS 102 Ca -0.50 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1ujr h LYS 102 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 1ujr h LYS 102 CO 0.00 0.52 -0.15 0.78 -0.57 0.00 0.00 179.45 180.03 1ujr h GLY 103 N -0.57 -1.88 -7.71 3.86 0.00 -1.93 -3.00 103.07 91.84 1ujr h GLY 103 Ca -0.00 0.89 -0.55 0.00 0.00 0.00 0.00 47.33 47.67 1ujr h GLY 103 CO 0.00 -0.64 1.78 -1.34 0.00 0.00 0.00 176.54 176.34 1ujr s VAL 104 N -3.66 3.90 -0.30 4.60 -7.23 -1.25 -4.69 120.40 111.77 1ujr s VAL 104 Ca -0.03 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1ujr s VAL 104 Cb 0.02 -4.97 0.18 0.00 0.56 0.00 0.00 36.38 32.18 1ujr s VAL 104 CO 0.16 -1.64 1.08 -0.55 -0.31 0.00 0.00 175.10 173.83 1ujr s SER 105 N 5.07 -0.37 0.10 4.85 0.15 -1.14 -4.87 113.70 117.49 1ujr s SER 105 Ca 0.59 0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.41 1ujr s SER 105 Cb 0.02 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.56 1ujr s SER 105 CO 0.10 -0.07 0.08 -0.83 1.20 0.00 0.00 173.24 173.73 1ujr s GLY 106 N 2.96 1.96 1.05 9.45 0.00 -1.26 -5.03 107.32 116.45 1ujr s GLY 106 Ca 0.13 -1.06 -0.17 0.00 0.00 0.00 0.00 44.72 43.62 1ujr s GLY 106 CO -0.17 -1.04 1.20 2.56 0.00 0.00 0.00 173.10 175.66 1ujr s PRO 107 N -2.52 -0.02 -0.08 2.90 0.04 -1.26 -5.10 135.00 128.96 1ujr s PRO 107 Ca 0.29 -0.15 -0.16 0.00 0.04 0.00 0.00 61.00 61.03 1ujr s PRO 107 Cb -0.12 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1ujr s PRO 107 CO 0.22 -2.90 0.38 0.45 0.04 0.00 0.00 177.00 175.19 1ujr s SER 108 N -4.34 -0.34 0.11 6.66 0.15 -1.26 -5.07 113.70 109.61 1ujr s SER 108 Ca 0.71 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1ujr s SER 108 Cb -0.08 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1ujr s SER 108 CO 0.54 -0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.47 1ujr n SER 109 N 2.02 0.83 0.00 5.45 7.64 -1.26 -5.37 113.62 122.93 1ujr n SER 109 Ca -0.17 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ujr n SER 109 Cb 0.57 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64