#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 -0.12 0.42 3.54 1.04 -1.26 -5.16 113.70 112.16 1ujr s SER 2 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ujr s SER 2 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ujr s SER 2 CO 0.00 -0.65 0.00 -1.20 0.98 0.00 0.00 173.24 172.37 1ujr n SER 3 N -0.52 -5.23 0.00 7.02 7.64 -1.26 -5.10 113.62 116.18 1ujr n SER 3 Ca -0.07 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1ujr n SER 3 Cb 0.61 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 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 -3.56 4.27 0.00 0.23 0.00 -1.26 -5.20 105.19 99.67 1ujr n GLY 4 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -3.83 1.61 7.64 -1.26 -5.19 113.62 112.59 1ujr n SER 5 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1ujr n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1ujr n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujr s SER 6 N 0.00 -0.24 0.17 6.43 0.15 -1.26 -5.19 113.70 113.76 1ujr s SER 6 Ca 0.00 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 55.95 1ujr s SER 6 Cb 0.00 0.66 0.05 0.00 -1.71 0.00 0.00 66.02 65.03 1ujr s SER 6 CO 0.00 -1.23 0.71 0.61 1.20 0.00 0.00 173.24 174.54 1ujr n GLY 7 N -0.46 0.89 3.64 9.45 0.00 -1.26 -5.19 105.19 112.26 1ujr n GLY 7 Ca -0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 1ujr n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ujr s PHE 8 N -3.36 -0.08 0.32 1.61 2.19 -1.26 -5.19 117.98 112.21 1ujr s PHE 8 Ca 0.16 0.15 -0.12 0.00 0.33 0.00 0.00 56.93 57.44 1ujr s PHE 8 Cb -0.02 0.49 0.02 0.00 -1.31 0.00 0.00 43.02 42.19 1ujr s PHE 8 CO 0.05 -0.07 0.61 -0.51 1.83 0.00 0.00 175.22 177.13 1ujr s LEU 9 N -0.87 0.30 -0.27 6.12 1.43 -1.26 -5.18 118.68 118.96 1ujr s LEU 9 Ca 0.07 -1.08 -0.33 0.00 -1.03 0.00 0.00 54.13 51.77 1ujr s LEU 9 Cb -0.01 2.17 0.17 0.00 0.03 0.00 0.00 46.19 48.55 1ujr s LEU 9 CO -0.08 -1.38 1.32 -0.62 0.23 0.00 0.00 176.35 175.83 1ujr s ASP 10 N -3.07 -0.06 -0.16 2.29 -1.08 -1.26 -5.16 116.67 108.17 1ujr s ASP 10 Ca 0.20 0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.22 1ujr s ASP 10 Cb -0.03 0.06 0.07 0.00 -1.46 0.00 0.00 42.92 41.56 1ujr s ASP 10 CO 0.12 -0.08 0.33 -0.54 0.52 0.00 0.00 175.17 175.52 1ujr s LYS 11 N -1.50 0.22 0.60 4.34 1.02 -1.26 -5.16 119.74 118.00 1ujr s LYS 11 Ca 0.09 0.86 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 1ujr s LYS 11 Cb -0.01 0.11 0.14 0.00 -0.52 0.00 0.00 37.83 37.55 1ujr s LYS 11 CO -0.05 -0.27 0.66 -0.35 -0.92 0.00 0.00 175.35 174.42 1ujr n PRO 12 N 5.31 -1.44 -2.76 -1.68 -0.04 -1.26 -5.10 135.00 128.03 1ujr n PRO 12 Ca -0.08 -1.04 -0.13 0.00 -0.04 0.00 0.00 63.50 62.21 1ujr n PRO 12 Cb 0.50 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.13 1ujr n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujr n THR 13 N -3.39 0.00 0.35 0.52 -2.24 -1.26 -5.04 114.28 103.22 1ujr n THR 13 Ca 0.09 -1.01 0.08 0.00 -2.27 0.00 0.00 64.05 60.93 1ujr n THR 13 Cb 0.32 -0.12 0.11 0.00 -2.10 0.00 0.00 70.33 68.54 1ujr n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ujr n LEU 14 N 0.00 2.58 -3.84 3.22 7.99 -1.26 -5.01 117.00 120.68 1ujr n LEU 14 Ca -0.04 -1.32 -0.04 0.00 -0.01 0.00 0.00 56.01 54.60 1ujr n LEU 14 Cb 0.28 -0.10 0.01 0.00 -0.11 0.00 0.00 43.42 43.50 1ujr n LEU 14 CO 0.16 0.54 0.74 -1.48 -1.51 0.00 0.00 177.39 175.84 1ujr s LEU 15 N -1.18 -0.04 0.41 2.23 2.34 -1.26 -5.18 118.68 116.00 1ujr s LEU 15 Ca 0.22 -0.70 0.08 0.00 0.06 0.00 0.00 54.13 53.79 1ujr s LEU 15 Cb 0.14 2.24 -0.01 0.00 -0.56 0.00 0.00 46.19 48.00 1ujr s LEU 15 CO 0.20 -1.10 0.42 -0.44 -1.06 0.00 0.00 176.35 174.36 1ujr s SER 16 N -3.24 5.22 0.15 1.48 0.01 -1.26 -5.00 113.70 111.05 1ujr s SER 16 Ca 0.19 -0.64 0.24 0.00 1.31 0.00 0.00 55.95 57.04 1ujr s SER 16 Cb -0.03 -0.63 0.91 0.00 0.21 0.00 0.00 66.02 66.48 1ujr s SER 16 CO 0.06 -0.65 1.73 -0.81 0.41 0.00 0.00 173.24 173.98 1ujr n PRO 17 N -1.60 0.14 0.03 12.44 -0.04 -1.26 -3.01 135.00 141.70 1ujr n PRO 17 Ca 0.04 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 1ujr n PRO 17 Cb 0.61 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1ujr n PRO 17 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujr h GLU 18 N 0.00 0.28 -0.80 0.54 5.08 -1.99 -2.92 114.58 114.77 1ujr h GLU 18 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ujr h GLU 18 Cb 0.48 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1ujr h GLU 18 CO 0.00 1.23 0.51 0.93 -1.00 0.00 0.00 179.01 180.69 1ujr h GLU 19 N -0.31 1.07 0.40 2.33 5.08 -1.95 0.25 114.58 121.44 1ujr h GLU 19 Ca -0.23 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1ujr h GLU 19 Cb 1.73 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1ujr h GLU 19 CO 0.11 0.72 -0.19 1.25 -1.00 0.00 0.00 179.01 179.90 1ujr h LEU 20 N 1.10 -0.46 -1.06 1.33 5.85 -1.65 -2.94 115.31 117.49 1ujr h LEU 20 Ca 0.29 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1ujr h LEU 20 Cb -0.10 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1ujr h LEU 20 CO -0.06 -0.12 0.62 0.11 -0.34 0.00 0.00 178.44 178.65 1ujr h LYS 21 N -0.82 0.92 -0.68 1.25 1.57 -1.29 -1.41 116.57 116.10 1ujr h LYS 21 Ca -0.06 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1ujr h LYS 21 Cb 0.54 -0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.52 1ujr h LYS 21 CO 0.09 0.61 -0.36 0.00 -0.57 0.00 0.00 179.45 179.22 1ujr h ALA 22 N 1.55 -0.05 -0.94 3.86 0.00 -0.33 1.57 119.26 124.92 1ujr h ALA 22 Ca 0.49 0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.83 1ujr h ALA 22 Cb 0.52 0.86 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1ujr h ALA 22 CO -0.25 -0.69 0.45 0.00 0.00 0.00 0.00 179.25 178.76 1ujr h ALA 23 N 1.02 1.60 0.06 0.00 0.00 -1.16 0.69 119.26 121.47 1ujr h ALA 23 Ca 0.25 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ujr h ALA 23 Cb 0.56 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ujr h ALA 23 CO -0.75 -0.40 -0.03 0.77 0.00 0.00 0.00 179.25 178.85 1ujr h SER 24 N 0.39 -0.06 -1.10 0.00 0.02 0.92 -3.16 113.55 110.56 1ujr h SER 24 Ca 0.62 -0.58 0.32 0.00 -0.84 0.00 0.00 61.79 61.30 1ujr h SER 24 Cb 1.24 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1ujr h SER 24 CO -0.56 0.62 1.02 0.03 -1.14 0.00 0.00 176.83 176.80 1ujr h ARG 25 N -0.82 0.00 -0.34 3.45 3.08 0.35 0.68 114.38 120.78 1ujr h ARG 25 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1ujr h ARG 25 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 1ujr h ARG 25 CO 0.01 0.00 0.07 0.78 -1.07 0.00 0.00 179.97 179.76 1ujr h GLY 26 N 0.00 0.39 -0.94 0.04 0.00 -0.90 -2.33 103.07 99.32 1ujr h GLY 26 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ujr h GLY 26 CO -0.01 -0.02 -0.47 0.70 0.00 0.00 0.00 176.54 176.74 1ujr n ASN 27 N -5.09 1.96 0.00 0.19 3.02 0.18 -4.66 115.26 110.85 1ujr n ASN 27 Ca 0.01 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 1ujr n ASN 27 Cb 0.15 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujr n GLY 28 N 1.39 -2.80 0.79 7.41 0.00 0.18 -5.03 105.19 107.13 1ujr n GLY 28 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.35 0.21 -4.29 1.61 -0.58 0.15 -4.96 120.64 112.42 1ujr n GLU 29 Ca 0.00 -0.43 -0.23 0.00 -0.42 0.00 0.00 57.16 56.09 1ujr n GLU 29 Cb 0.00 0.54 -0.12 0.00 -0.57 0.00 0.00 31.44 31.29 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 -6.95 1.75 0.07 -0.32 -0.85 -1.26 0.22 117.35 110.00 1ujr s TYR 30 Ca 0.04 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 1ujr s TYR 30 Cb -0.01 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.38 1ujr s TYR 30 CO 0.02 0.24 -0.13 0.00 -1.52 0.00 0.00 175.55 174.16 1ujr s ALA 31 N -1.53 1.07 -0.06 9.51 0.00 0.11 -4.73 121.76 126.13 1ujr s ALA 31 Ca 0.09 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1ujr s ALA 31 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1ujr s ALA 31 CO 0.05 0.12 0.38 -1.58 0.00 0.00 0.00 175.76 174.73 1ujr s TRP 32 N -1.37 3.62 0.16 0.00 0.52 -1.26 0.10 118.94 120.71 1ujr s TRP 32 Ca -0.03 0.87 0.09 0.00 0.02 0.00 0.00 56.10 57.05 1ujr s TRP 32 Cb -0.10 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1ujr s TRP 32 CO 0.02 0.47 -0.19 0.71 0.02 0.00 0.00 176.95 177.98 1ujr s TYR 33 N -0.43 1.88 -0.01 -1.98 2.02 0.14 -2.84 117.35 116.13 1ujr s TYR 33 Ca 0.22 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1ujr s TYR 33 Cb -0.15 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1ujr s TYR 33 CO 0.10 0.33 0.03 1.52 -1.57 0.00 0.00 175.55 175.97 1ujr s TYR 34 N -1.87 -0.00 -0.35 2.71 1.13 0.98 0.27 117.35 120.22 1ujr s TYR 34 Ca 0.15 0.01 -0.41 0.00 -1.41 0.00 0.00 57.07 55.42 1ujr s TYR 34 Cb -0.07 -0.01 -0.16 0.00 -1.10 0.00 0.00 41.96 40.62 1ujr s TYR 34 CO 0.07 -0.05 1.86 -1.91 -2.51 0.00 0.00 175.55 173.00 1ujr n GLU 35 N 2.82 0.86 0.00 -3.49 4.07 0.94 0.03 120.64 125.88 1ujr n GLU 35 Ca -0.14 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1ujr n GLU 35 Cb 0.59 -2.03 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 1ujr n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ujr n GLY 36 N 5.02 6.34 0.18 8.31 0.00 0.14 -4.75 105.19 120.42 1ujr n GLY 36 Ca 0.33 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1ujr n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ujr h ARG 37 N 0.00 -0.40 -0.64 1.61 1.12 -1.95 -3.29 114.38 110.83 1ujr h ARG 37 Ca 0.00 0.03 0.07 0.00 -1.11 0.00 0.00 59.98 58.96 1ujr h ARG 37 Cb 0.00 0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 29.99 1ujr h ARG 37 CO 0.00 -0.27 0.32 -0.91 -3.11 0.00 0.00 179.97 176.01 1ujr h ASN 38 N -0.69 0.45 0.00 -3.80 2.35 -1.99 -3.47 115.58 108.44 1ujr h ASN 38 Ca -0.04 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ujr h ASN 38 Cb 0.32 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ujr h ASN 38 CO 0.07 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 1ujr n GLY 39 N -1.28 -1.85 2.84 2.83 0.00 -1.24 -5.10 105.19 101.37 1ujr n GLY 39 Ca 0.08 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.48 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 1.16 0.01 1.61 0.52 -1.26 0.24 118.94 121.22 1ujr s TRP 40 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.56 1ujr s TRP 40 Cb 0.00 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1ujr s TRP 40 CO 0.00 -0.47 0.03 -1.58 0.02 0.00 0.00 176.95 174.95 1ujr s TRP 41 N 1.81 3.13 -0.07 -1.98 0.23 0.11 -4.78 118.94 117.39 1ujr s TRP 41 Ca 0.04 0.10 -0.19 0.00 -2.03 0.00 0.00 56.10 54.02 1ujr s TRP 41 Cb -0.13 -1.67 -0.05 0.00 0.03 0.00 0.00 33.47 31.65 1ujr s TRP 41 CO -0.07 0.49 0.53 -1.14 0.96 0.00 0.00 176.95 177.72 1ujr s GLN 42 N -1.75 4.30 1.04 4.98 0.74 -1.26 -0.02 119.66 127.69 1ujr s GLN 42 Ca 0.22 0.57 -0.14 0.00 0.05 0.00 0.00 55.36 56.05 1ujr s GLN 42 Cb -0.12 -3.39 0.18 0.00 1.10 0.00 0.00 33.01 30.79 1ujr s GLN 42 CO 0.13 0.26 0.36 0.66 -0.55 0.00 0.00 175.29 176.15 1ujr n TYR 43 N 3.24 -2.44 0.00 1.67 4.01 -1.13 -4.95 117.16 117.57 1ujr n TYR 43 Ca -0.07 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1ujr n TYR 43 Cb 0.51 -1.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 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 -1.56 0.00 0.00 7.72 8.00 -1.26 -4.98 116.55 124.47 1ujr n ASP 44 Ca 0.06 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.23 1ujr n ASP 44 Cb 0.37 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ujr n GLU 45 N -1.30 0.00 0.07 -1.24 2.13 -1.26 -4.97 120.64 114.07 1ujr n GLU 45 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1ujr n GLU 45 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1ujr n GLU 45 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1ujr h ARG 46 N 0.00 0.09 0.48 5.31 0.11 -2.01 -3.27 114.38 115.10 1ujr h ARG 46 Ca 0.00 -0.15 -0.02 0.00 0.10 0.00 0.00 59.98 59.90 1ujr h ARG 46 Cb 0.00 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1ujr h ARG 46 CO 0.00 1.04 -0.23 1.15 0.10 0.00 0.00 179.97 182.03 1ujr h THR 47 N 0.02 0.00 -0.99 0.08 2.02 -1.97 -3.20 112.91 108.87 1ujr h THR 47 Ca -0.07 -0.45 0.36 0.00 0.77 0.00 0.00 66.41 67.02 1ujr h THR 47 Cb 1.85 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 68.08 1ujr h THR 47 CO 0.15 0.00 0.35 -1.54 0.37 0.00 0.00 175.52 174.85 1ujr n SER 48 N -5.00 0.18 -0.64 4.18 3.41 -1.26 0.18 113.62 114.68 1ujr n SER 48 Ca -0.08 1.66 0.50 0.00 -0.26 0.00 0.00 58.87 60.68 1ujr n SER 48 Cb 0.26 -0.73 0.77 0.00 -0.26 0.00 0.00 64.21 64.25 1ujr n SER 48 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ujr h ARG 49 N 0.00 0.00 0.06 4.33 2.47 -1.60 1.65 114.38 121.29 1ujr h ARG 49 Ca 0.75 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 59.11 1ujr h ARG 49 Cb 1.87 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.14 1ujr h ARG 49 CO -0.82 0.00 -2.15 0.39 0.56 0.00 0.00 179.97 177.95 1ujr n GLU 50 N -3.84 0.70 -0.18 0.04 -0.58 0.49 -3.13 120.64 114.13 1ujr n GLU 50 Ca 0.41 0.20 -0.01 0.00 -0.42 0.00 0.00 57.16 57.35 1ujr n GLU 50 Cb 1.94 -1.64 0.09 0.00 -0.57 0.00 0.00 31.44 31.26 1ujr n GLU 50 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ujr h LEU 51 N 0.03 0.05 0.12 -4.62 4.07 0.25 0.75 115.31 115.96 1ujr h LEU 51 Ca -0.47 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 1ujr h LEU 51 Cb 2.01 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.88 1ujr h LEU 51 CO 0.03 0.04 -0.06 1.05 -1.08 0.00 0.00 178.44 178.42 1ujr h GLU 52 N 0.28 -0.16 -0.28 1.13 4.11 -1.02 -0.59 114.58 118.06 1ujr h GLU 52 Ca 0.29 0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.79 1ujr h GLU 52 Cb 0.40 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1ujr h GLU 52 CO -0.35 0.30 -0.41 -0.44 0.07 0.00 0.00 179.01 178.18 1ujr h ASP 53 N -0.72 -1.32 0.23 3.06 5.19 -1.39 0.35 116.42 121.81 1ujr h ASP 53 Ca -0.02 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1ujr h ASP 53 Cb 0.53 0.57 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1ujr h ASP 53 CO 0.03 -0.39 -0.17 0.00 -3.12 0.00 0.00 179.24 175.59 1ujr h ALA 54 N 0.33 -0.97 -1.20 3.45 0.00 0.43 1.35 119.26 122.65 1ujr h ALA 54 Ca 0.11 -0.08 0.43 0.00 0.00 0.00 0.00 54.91 55.37 1ujr h ALA 54 Cb 0.59 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1ujr h ALA 54 CO -0.48 -0.96 0.75 0.34 0.00 0.00 0.00 179.25 178.89 1ujr n PHE 55 N -3.32 0.73 -0.04 0.00 7.35 -0.23 0.14 117.46 122.08 1ujr n PHE 55 Ca -0.05 0.74 -0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1ujr n PHE 55 Cb 0.17 -1.16 -0.00 0.00 0.35 0.00 0.00 39.48 38.84 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 0.00 -0.91 -2.13 0.87 0.41 -3.34 113.55 108.45 1ujr h SER 56 Ca 0.81 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 61.62 1ujr h SER 56 Cb 2.51 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 64.33 1ujr h SER 56 CO -0.48 0.44 0.33 0.11 -0.53 0.00 0.00 176.83 176.70 1ujr h LYS 57 N -0.87 0.24 0.00 2.24 1.57 0.44 -3.44 116.57 116.75 1ujr h LYS 57 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ujr h LYS 57 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1ujr h LYS 57 CO 0.00 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 1ujr n GLY 58 N -1.35 1.24 3.42 3.86 0.00 0.37 -5.06 105.19 107.66 1ujr n GLY 58 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.33 0.15 1.61 5.02 -0.87 -4.68 118.16 119.72 1ujr n LYS 59 Ca 0.00 0.06 0.18 0.00 -2.02 0.00 0.00 58.31 56.53 1ujr n LYS 59 Cb 0.00 -1.91 0.69 0.00 -0.02 0.00 0.00 35.03 33.80 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 11.98 0.00 -1.77 1.97 6.56 -1.96 -3.34 116.57 130.01 1ujr h LYS 60 Ca -0.13 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1ujr h LYS 60 Cb 1.34 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.79 1ujr h LYS 60 CO 1.20 0.00 0.37 0.54 -2.06 0.00 0.00 179.45 179.50 1ujr s ASN 61 N -4.69 -0.51 0.07 0.86 2.20 -1.26 0.04 114.94 111.64 1ujr s ASN 61 Ca -0.04 0.56 0.06 0.00 -0.94 0.00 0.00 52.86 52.50 1ujr s ASN 61 Cb 0.12 0.42 -0.03 0.00 -2.00 0.00 0.00 41.25 39.76 1ujr s ASN 61 CO 0.42 -0.47 -0.17 0.28 -2.94 0.00 0.00 177.10 174.22 1ujr s THR 62 N -1.15 1.33 0.55 0.54 -1.32 0.14 -4.96 115.64 110.77 1ujr s THR 62 Ca -0.06 -1.25 -0.02 0.00 -1.21 0.00 0.00 61.69 59.14 1ujr s THR 62 Cb -0.00 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1ujr s THR 62 CO 0.06 -0.06 0.81 -1.61 -2.21 0.00 0.00 174.62 171.61 1ujr s GLU 63 N -1.52 2.76 -0.30 7.08 8.01 -1.26 0.15 118.70 133.61 1ujr s GLU 63 Ca 0.02 -0.40 -0.09 0.00 0.01 0.00 0.00 54.97 54.51 1ujr s GLU 63 Cb -0.09 -2.40 0.17 0.00 -4.31 0.00 0.00 34.13 27.49 1ujr s GLU 63 CO 0.02 -0.65 0.78 0.00 0.01 0.00 0.00 175.26 175.43 1ujr s MET 64 N -4.83 0.44 -0.64 1.61 0.23 0.15 -4.84 119.30 111.41 1ujr s MET 64 Ca 0.54 0.93 -0.25 0.00 -1.03 0.00 0.00 55.69 55.88 1ujr s MET 64 Cb -0.10 0.54 0.05 0.00 -1.53 0.00 0.00 34.83 33.78 1ujr s MET 64 CO 0.41 -0.32 1.06 -1.17 -2.03 0.00 0.00 175.02 172.96 1ujr s LEU 65 N 2.80 3.93 0.00 0.18 2.96 -1.26 0.03 118.68 127.31 1ujr s LEU 65 Ca 0.05 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1ujr s LEU 65 Cb -0.11 -2.62 0.12 0.00 0.50 0.00 0.00 46.19 44.07 1ujr s LEU 65 CO -0.18 -1.49 0.77 -0.38 -1.32 0.00 0.00 176.35 173.75 1ujr n ILE 66 N 6.17 0.00 -1.39 6.68 5.41 0.13 -4.83 119.36 131.52 1ujr n ILE 66 Ca 0.00 -1.06 -0.26 0.00 1.00 0.00 0.00 62.75 62.44 1ujr n ILE 66 Cb 0.47 -1.15 -0.19 0.00 -0.71 0.00 0.00 39.64 38.06 1ujr n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujr n ALA 67 N -3.07 0.82 -4.27 -1.39 0.00 -1.26 0.22 120.51 111.57 1ujr n ALA 67 Ca -0.13 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.38 1ujr n ALA 67 Cb 0.43 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 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 5.38 -0.22 3.02 0.00 0.00 -1.26 -4.91 105.19 107.20 1ujr n GLY 68 Ca 0.62 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 -4.00 -1.28 -0.40 1.61 0.08 0.13 -5.11 117.98 109.01 1ujr s PHE 69 Ca 0.21 0.99 -0.29 0.00 0.12 0.00 0.00 56.93 57.97 1ujr s PHE 69 Cb -0.12 0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 1ujr s PHE 69 CO 0.97 -0.90 1.51 -0.51 -0.10 0.00 0.00 175.22 176.19 1ujr s LEU 70 N 2.68 3.55 0.25 -0.37 1.02 -1.26 0.18 118.68 124.73 1ujr s LEU 70 Ca 0.14 0.90 0.08 0.00 0.02 0.00 0.00 54.13 55.27 1ujr s LEU 70 Cb -0.14 -3.50 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 1ujr s LEU 70 CO -0.23 -1.52 0.08 -0.31 0.02 0.00 0.00 176.35 174.39 1ujr s TYR 71 N 5.84 2.88 -0.11 0.29 2.02 0.10 0.27 117.35 128.65 1ujr s TYR 71 Ca 0.65 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1ujr s TYR 71 Cb -0.15 -1.29 0.04 0.00 -0.40 0.00 0.00 41.96 40.15 1ujr s TYR 71 CO 0.32 0.57 0.03 0.08 -1.57 0.00 0.00 175.55 174.99 1ujr s VAL 72 N -2.19 0.25 -0.27 0.71 1.01 0.16 0.32 120.40 120.39 1ujr s VAL 72 Ca 0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1ujr s VAL 72 Cb -0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1ujr s VAL 72 CO 0.22 0.05 0.19 0.00 0.00 0.00 0.00 175.10 175.56 1ujr s ALA 73 N 2.01 3.55 -0.16 5.51 0.00 0.12 0.20 121.76 132.99 1ujr s ALA 73 Ca 0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1ujr s ALA 73 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1ujr s ALA 73 CO -0.06 -0.47 0.10 0.34 0.00 0.00 0.00 175.76 175.67 1ujr s ASP 74 N 1.60 5.98 -0.15 0.00 -1.08 0.22 0.23 116.67 123.46 1ujr s ASP 74 Ca 0.07 0.24 0.03 0.00 -0.52 0.00 0.00 52.55 52.38 1ujr s ASP 74 Cb -0.15 -1.98 -0.23 0.00 -1.46 0.00 0.00 42.92 39.10 1ujr s ASP 74 CO 0.10 0.26 0.22 0.18 0.52 0.00 0.00 175.17 176.45 1ujr n LEU 75 N 2.95 1.98 -0.27 -1.34 7.99 0.11 0.32 117.00 128.73 1ujr n LEU 75 Ca -0.18 0.12 0.07 0.00 -0.01 0.00 0.00 56.01 56.02 1ujr n LEU 75 Cb 0.53 -0.56 0.21 0.00 -0.11 0.00 0.00 43.42 43.50 1ujr n LEU 75 CO 0.34 0.73 1.04 -0.33 -1.51 0.00 0.00 177.39 177.66 1ujr h GLU 76 N 0.03 0.46 -0.00 3.23 5.08 -1.55 -0.16 114.58 121.67 1ujr h GLU 76 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ujr h GLU 76 Cb 2.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1ujr h GLU 76 CO 0.03 0.30 -0.85 0.09 -1.00 0.00 0.00 179.01 177.58 1ujr n ASN 77 N -4.98 1.05 -3.28 1.42 3.02 -1.26 -5.00 115.26 106.22 1ujr n ASN 77 Ca 0.16 -1.02 -0.16 0.00 -0.03 0.00 0.00 54.58 53.53 1ujr n ASN 77 Cb 0.46 0.93 0.08 0.00 -0.61 0.00 0.00 39.78 40.64 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ujr n MET 78 N -1.27 -4.19 -1.80 3.52 1.56 -0.07 -4.88 117.12 109.99 1ujr n MET 78 Ca 0.04 0.84 -0.01 0.00 -0.27 0.00 0.00 57.70 58.30 1ujr n MET 78 Cb 0.32 -5.76 -0.00 0.00 2.15 0.00 0.00 33.22 29.93 1ujr n MET 78 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 1ujr n VAL 79 N -3.59 0.00 -3.66 1.12 0.24 0.15 -0.16 118.33 112.43 1ujr n VAL 79 Ca -0.17 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 1ujr n VAL 79 Cb 0.64 0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 1ujr n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ujr s GLN 80 N -2.05 0.49 0.21 7.34 -2.07 0.19 0.68 119.66 124.46 1ujr s GLN 80 Ca 0.02 1.23 0.10 0.00 -1.82 0.00 0.00 55.36 54.88 1ujr s GLN 80 Cb -0.00 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1ujr s GLN 80 CO 0.01 -0.21 -0.18 1.52 -1.32 0.00 0.00 175.29 175.11 1ujr s TYR 81 N 2.51 1.96 0.05 9.60 -0.85 0.13 0.37 117.35 131.12 1ujr s TYR 81 Ca -0.05 -0.45 -0.31 0.00 -0.52 0.00 0.00 57.07 55.74 1ujr s TYR 81 Cb -0.11 -0.92 -0.06 0.00 0.38 0.00 0.00 41.96 41.25 1ujr s TYR 81 CO -0.16 0.46 1.26 1.03 -1.52 0.00 0.00 175.55 176.62 1ujr s ARG 82 N -3.19 4.38 0.00 -3.49 1.81 0.11 0.36 118.95 118.92 1ujr s ARG 82 Ca 0.22 1.84 0.00 0.00 -1.72 0.00 0.00 55.73 56.07 1ujr s ARG 82 Cb -0.04 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 1ujr s ARG 82 CO 0.09 -0.36 0.83 -2.13 -0.68 0.00 0.00 175.30 173.05 1ujr n ARG 83 N 4.33 0.00 0.01 3.54 0.00 0.14 -1.64 116.66 123.05 1ujr n ARG 83 Ca 0.10 0.65 -0.14 0.00 -0.00 0.00 0.00 57.85 58.47 1ujr n ARG 83 Cb 0.45 -1.33 -0.08 0.00 0.00 0.00 0.00 32.46 31.50 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1ujr h ASN 84 N 0.00 -1.51 -3.25 6.15 4.21 -1.93 -3.32 115.58 115.92 1ujr h ASN 84 Ca 0.00 0.18 -0.74 0.00 1.21 0.00 0.00 56.30 56.96 1ujr h ASN 84 Cb 0.00 0.59 -0.25 0.00 -1.12 0.00 0.00 38.32 37.54 1ujr h ASN 84 CO 0.00 -0.47 -0.33 -1.61 -1.29 0.00 0.00 177.43 173.73 1ujr s GLU 85 N -5.81 2.82 0.43 0.81 2.02 -1.08 -4.90 118.70 112.98 1ujr s GLU 85 Ca -0.16 -1.58 0.21 0.00 0.02 0.00 0.00 54.97 53.47 1ujr s GLU 85 Cb 0.08 -4.09 0.94 0.00 0.10 0.00 0.00 34.13 31.17 1ujr s GLU 85 CO 0.63 -1.15 1.86 1.25 0.02 0.00 0.00 175.26 177.86 1ujr h HIS 86 N 8.68 0.00 -0.12 1.61 -0.00 -1.42 -2.66 115.15 121.25 1ujr h HIS 86 Ca -0.27 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.13 1ujr h HIS 86 Cb 1.09 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.46 1ujr h HIS 86 CO 0.66 0.28 -0.38 0.78 -0.00 0.00 0.00 177.93 179.27 1ujr h GLY 87 N 1.57 -1.25 -5.97 5.26 0.00 -1.91 -3.39 103.07 97.39 1ujr h GLY 87 Ca -0.00 0.69 -0.56 0.00 0.00 0.00 0.00 47.33 47.46 1ujr h GLY 87 CO 0.04 -0.32 1.25 0.50 0.00 0.00 0.00 176.54 178.01 1ujr s ARG 88 N -4.87 3.78 0.09 4.80 1.81 -1.22 -4.91 118.95 118.43 1ujr s ARG 88 Ca -0.11 2.11 -0.26 0.00 -1.72 0.00 0.00 55.73 55.76 1ujr s ARG 88 Cb 0.05 -4.15 0.08 0.00 -0.45 0.00 0.00 34.95 30.48 1ujr s ARG 88 CO 0.42 -1.34 0.74 -0.98 -0.68 0.00 0.00 175.30 173.46 1ujr s ARG 89 N 4.96 1.08 0.15 3.54 1.70 -1.26 0.04 118.95 129.16 1ujr s ARG 89 Ca 0.84 -0.41 -0.03 0.00 -0.47 0.00 0.00 55.73 55.66 1ujr s ARG 89 Cb -0.33 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1ujr s ARG 89 CO 0.35 -0.47 0.11 1.03 -1.08 0.00 0.00 175.30 175.23 1ujr s ARG 90 N -3.46 1.01 0.16 3.89 3.00 0.16 -4.95 118.95 118.77 1ujr s ARG 90 Ca 0.03 -1.41 -0.17 0.00 0.00 0.00 0.00 55.73 54.18 1ujr s ARG 90 Cb -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 34.95 35.14 1ujr s ARG 90 CO -0.10 -0.31 0.62 0.15 0.00 0.00 0.00 175.30 175.66 1ujr s LYS 91 N -4.04 4.14 0.30 3.54 1.02 -1.26 0.55 119.74 123.98 1ujr s LYS 91 Ca 0.24 0.70 0.11 0.00 0.02 0.00 0.00 55.97 57.03 1ujr s LYS 91 Cb 0.06 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1ujr s LYS 91 CO 0.03 0.48 -0.15 0.96 -0.92 0.00 0.00 175.35 175.74 1ujr s ILE 92 N -1.41 2.31 -0.17 2.17 -4.36 0.77 -0.04 121.20 120.47 1ujr s ILE 92 Ca 0.38 -2.31 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 1ujr s ILE 92 Cb -0.17 -2.41 0.05 0.00 1.25 0.00 0.00 42.46 41.18 1ujr s ILE 92 CO 0.20 -0.34 0.50 -1.59 0.24 0.00 0.00 174.94 173.95 1ujr s LYS 93 N -3.56 0.62 -0.36 0.37 -2.85 0.14 -4.60 119.74 109.50 1ujr s LYS 93 Ca 0.30 0.61 -0.20 0.00 -1.00 0.00 0.00 55.97 55.68 1ujr s LYS 93 Cb -0.02 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1ujr s LYS 93 CO 0.15 -0.09 0.62 0.50 0.10 0.00 0.00 175.35 176.63 1ujr s ARG 94 N 0.07 3.64 0.48 1.78 3.52 -1.26 0.23 118.95 127.40 1ujr s ARG 94 Ca -0.02 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.65 1ujr s ARG 94 Cb -0.03 -3.82 0.01 0.00 -1.56 0.00 0.00 34.95 29.54 1ujr s ARG 94 CO 0.01 -0.75 0.42 0.34 -0.81 0.00 0.00 175.30 174.52 1ujr s ASP 95 N 1.80 4.88 -0.18 -2.12 2.15 0.12 -4.93 116.67 118.39 1ujr s ASP 95 Ca 0.24 -0.95 -0.07 0.00 0.43 0.00 0.00 52.55 52.20 1ujr s ASP 95 Cb -0.15 -0.14 -0.04 0.00 -0.30 0.00 0.00 42.92 42.30 1ujr s ASP 95 CO 0.15 -0.87 0.05 -0.63 -0.17 0.00 0.00 175.17 173.70 1ujr s ILE 96 N -2.60 4.68 0.33 4.11 1.01 -1.26 0.09 121.20 127.55 1ujr s ILE 96 Ca 0.44 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.08 1ujr s ILE 96 Cb -0.03 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1ujr s ILE 96 CO 0.26 0.46 0.21 -0.38 0.00 0.00 0.00 174.94 175.49 1ujr n ILE 97 N 3.59 0.00 -0.03 2.92 2.08 0.13 -4.83 119.36 123.23 1ujr n ILE 97 Ca -0.17 -2.20 -0.02 0.00 0.56 0.00 0.00 62.75 60.93 1ujr n ILE 97 Cb 0.52 0.98 -0.01 0.00 -0.75 0.00 0.00 39.64 40.39 1ujr n ILE 97 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1ujr n ASP 98 N -1.72 0.64 -1.63 4.38 2.03 -1.26 0.30 116.55 119.29 1ujr n ASP 98 Ca 0.02 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1ujr n ASP 98 Cb 0.55 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ujr n ILE 99 N -3.10 -4.04 -2.02 5.18 5.41 -1.26 -3.69 119.36 115.84 1ujr n ILE 99 Ca -0.03 1.92 -0.38 0.00 1.00 0.00 0.00 62.75 65.26 1ujr n ILE 99 Cb 0.11 -2.89 -0.03 0.00 -0.71 0.00 0.00 39.64 36.12 1ujr n ILE 99 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1ujr n PRO 100 N -1.90 2.32 0.16 0.38 -0.04 -1.26 -4.71 135.00 129.95 1ujr n PRO 100 Ca 0.00 -2.65 -0.13 0.00 -0.04 0.00 0.00 63.50 60.68 1ujr n PRO 100 Cb 0.29 -3.43 -0.08 0.00 -0.04 0.00 0.00 33.50 30.23 1ujr n PRO 100 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ujr h LYS 101 N 8.05 -0.40 -0.64 0.54 3.64 -1.88 -3.08 116.57 122.79 1ujr h LYS 101 Ca 0.39 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.93 1ujr h LYS 101 Cb 0.82 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.61 1ujr h LYS 101 CO 1.55 -0.09 -0.06 0.87 -2.27 0.00 0.00 179.45 179.45 1ujr h LYS 102 N -0.74 0.07 -0.82 1.90 1.79 -1.96 -0.30 116.57 116.51 1ujr h LYS 102 Ca -0.04 -0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.56 1ujr h LYS 102 Cb 0.50 -0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 30.99 1ujr h LYS 102 CO 0.07 0.04 -0.35 0.78 -1.08 0.00 0.00 179.45 178.91 1ujr h GLY 103 N 0.07 0.04 -6.99 3.86 0.00 -1.92 -3.32 103.07 94.80 1ujr h GLY 103 Ca 0.33 0.47 -0.64 0.00 0.00 0.00 0.00 47.33 47.49 1ujr h GLY 103 CO -0.59 -0.21 0.06 -1.34 0.00 0.00 0.00 176.54 174.45 1ujr s VAL 104 N -5.99 4.94 -0.26 4.60 -7.23 -0.12 -5.01 120.40 111.33 1ujr s VAL 104 Ca -0.14 0.48 -0.20 0.00 -1.81 0.00 0.00 61.98 60.30 1ujr s VAL 104 Cb 0.19 -4.03 0.07 0.00 0.56 0.00 0.00 36.38 33.17 1ujr s VAL 104 CO 0.71 -0.28 0.66 -0.55 -0.31 0.00 0.00 175.10 175.34 1ujr s SER 105 N 1.78 -0.77 -0.40 4.85 0.15 -1.25 -4.84 113.70 113.23 1ujr s SER 105 Ca 0.22 1.38 0.05 0.00 0.70 0.00 0.00 55.95 58.30 1ujr s SER 105 Cb -0.15 1.35 0.17 0.00 -1.71 0.00 0.00 66.02 65.67 1ujr s SER 105 CO 0.14 -0.23 0.46 -0.83 1.20 0.00 0.00 173.24 173.98 1ujr s GLY 106 N 0.80 -0.27 -0.71 9.45 0.00 -1.26 -5.03 107.32 110.31 1ujr s GLY 106 Ca -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 1ujr s GLY 106 CO -0.06 2.95 2.63 -1.55 0.00 0.00 0.00 173.10 177.07 1ujr n PRO 107 N 3.99 2.24 -1.24 2.90 -0.04 -1.26 -4.88 135.00 136.71 1ujr n PRO 107 Ca 0.14 -1.34 0.14 0.00 -0.04 0.00 0.00 63.50 62.40 1ujr n PRO 107 Cb 0.49 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1ujr n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujr n SER 108 N 3.39 -6.66 -3.79 3.54 2.88 -1.26 -5.03 113.62 106.69 1ujr n SER 108 Ca 0.48 0.85 -0.08 0.00 -1.33 0.00 0.00 58.87 58.79 1ujr n SER 108 Cb 0.39 -4.03 -0.02 0.00 -0.75 0.00 0.00 64.21 59.80 1ujr n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujr s SER 109 N -6.33 -0.31 0.00 -3.46 1.04 -1.26 -5.27 113.70 98.11 1ujr s SER 109 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ujr s SER 109 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1ujr s SER 109 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55