#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 -0.09 -0.08 3.54 0.15 -1.26 -5.19 113.70 110.78 1ujr s SER 2 Ca 0.00 0.09 -0.32 0.00 0.70 0.00 0.00 55.95 56.42 1ujr s SER 2 Cb 0.00 0.07 0.13 0.00 -1.71 0.00 0.00 66.02 64.51 1ujr s SER 2 CO 0.00 -0.08 1.31 -0.94 1.20 0.00 0.00 173.24 174.72 1ujr s SER 3 N -1.08 -0.06 0.00 5.45 1.04 -1.26 -5.19 113.70 112.60 1ujr s SER 3 Ca 0.07 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1ujr s SER 3 Cb -0.01 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1ujr s SER 3 CO -0.06 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1ujr n GLY 4 N -0.39 0.86 3.79 7.32 0.00 -1.26 -5.19 105.19 110.32 1ujr n GLY 4 Ca -0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1ujr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujr s SER 5 N 0.00 -0.25 0.03 1.61 1.04 -1.26 -5.19 113.70 109.68 1ujr s SER 5 Ca 0.00 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 1ujr s SER 5 Cb 0.00 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.92 1ujr s SER 5 CO 0.00 -1.29 1.19 -0.55 0.98 0.00 0.00 173.24 173.57 1ujr s SER 6 N -2.92 -0.10 0.35 7.02 0.15 -1.26 -5.19 113.70 111.75 1ujr s SER 6 Ca 0.12 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 1ujr s SER 6 Cb -0.05 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1ujr s SER 6 CO 0.06 -0.48 0.52 0.61 1.20 0.00 0.00 173.24 175.15 1ujr n GLY 7 N -0.48 1.98 2.49 9.45 0.00 -1.26 -5.08 105.19 112.29 1ujr n GLY 7 Ca -0.08 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.57 -3.90 -3.87 1.61 3.72 -1.26 -5.06 117.46 108.12 1ujr n PHE 8 Ca -0.00 2.30 -0.09 0.00 -0.05 0.00 0.00 57.45 59.60 1ujr n PHE 8 Cb 0.58 -3.40 -0.08 0.00 -0.94 0.00 0.00 39.48 35.64 1ujr n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ujr s LEU 9 N -0.52 1.51 -0.05 4.37 1.43 -1.26 -5.05 118.68 119.10 1ujr s LEU 9 Ca -0.12 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1ujr s LEU 9 Cb 0.01 0.90 0.01 0.00 0.03 0.00 0.00 46.19 47.14 1ujr s LEU 9 CO 0.32 -0.62 0.07 -0.67 0.23 0.00 0.00 176.35 175.67 1ujr n ASP 10 N 0.36 -1.80 -3.66 2.29 2.03 -1.26 -5.10 116.55 109.41 1ujr n ASP 10 Ca -0.17 0.43 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 1ujr n ASP 10 Cb 0.60 -2.31 -0.08 0.00 -0.72 0.00 0.00 41.12 38.61 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 -0.98 0.65 0.12 -0.67 1.02 -1.26 -5.05 119.74 113.57 1ujr s LYS 11 Ca -0.08 1.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.87 1ujr s LYS 11 Cb 0.01 0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 37.37 1ujr s LYS 11 CO 0.22 -0.13 1.30 -1.00 -0.92 0.00 0.00 175.35 174.81 1ujr h PRO 12 N 6.48 0.56 -2.64 -1.68 0.13 -2.07 -3.50 132.00 129.28 1ujr h PRO 12 Ca -0.31 -0.54 0.27 0.00 -0.87 0.00 0.00 66.00 64.54 1ujr h PRO 12 Cb 1.20 0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.33 1ujr h PRO 12 CO 0.17 1.17 -0.93 2.41 -0.23 0.00 0.00 178.00 180.59 1ujr n THR 13 N -3.82 -0.62 -3.54 1.56 -1.04 -1.26 -5.05 114.28 100.51 1ujr n THR 13 Ca -0.08 0.67 0.01 0.00 -2.04 0.00 0.00 64.05 62.62 1ujr n THR 13 Cb 0.81 -1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1ujr n THR 13 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1ujr s LEU 14 N -6.50 -0.25 1.03 -4.42 2.34 -1.26 -5.16 118.68 104.46 1ujr s LEU 14 Ca 0.00 0.39 -0.21 0.00 0.06 0.00 0.00 54.13 54.37 1ujr s LEU 14 Cb 0.00 1.35 -0.06 0.00 -0.56 0.00 0.00 46.19 46.91 1ujr s LEU 14 CO 0.00 -0.06 -0.69 0.00 -1.06 0.00 0.00 176.35 174.54 1ujr n LEU 15 N 3.74 -2.94 -4.93 1.48 -0.00 -1.26 -4.99 117.00 108.10 1ujr n LEU 15 Ca -0.15 0.03 -0.20 0.00 -0.00 0.00 0.00 56.01 55.69 1ujr n LEU 15 Cb 0.56 -0.78 -0.02 0.00 -0.00 0.00 0.00 43.42 43.19 1ujr n LEU 15 CO 0.02 -3.41 0.02 -0.44 -0.00 0.00 0.00 177.39 173.58 1ujr s SER 16 N -1.40 5.51 0.00 1.45 0.01 -1.26 -5.00 113.70 113.02 1ujr s SER 16 Ca 0.46 -0.44 0.22 0.00 1.31 0.00 0.00 55.95 57.49 1ujr s SER 16 Cb -0.05 -0.90 0.98 0.00 0.21 0.00 0.00 66.02 66.26 1ujr s SER 16 CO 0.69 -0.52 1.71 -0.81 0.41 0.00 0.00 173.24 174.72 1ujr n PRO 17 N -1.58 0.08 0.12 12.44 -0.04 -1.26 -2.34 135.00 142.42 1ujr n PRO 17 Ca 0.02 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1ujr n PRO 17 Cb 0.60 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.00 0.00 0.54 5.08 -2.02 -3.30 114.58 114.88 1ujr h GLU 18 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ujr h GLU 18 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ujr h GLU 18 CO 0.00 0.02 -0.56 0.93 -1.00 0.00 0.00 179.01 178.40 1ujr h GLU 19 N 0.00 0.00 -0.33 2.33 5.08 -1.87 -3.09 114.58 116.70 1ujr h GLU 19 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ujr h GLU 19 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1ujr h GLU 19 CO 0.00 0.56 0.13 1.25 -1.00 0.00 0.00 179.01 179.96 1ujr h LEU 20 N 0.00 0.46 -0.92 1.33 5.85 -1.66 -2.38 115.31 118.00 1ujr h LEU 20 Ca -0.01 -0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.70 1ujr h LEU 20 Cb 1.08 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 1ujr h LEU 20 CO 0.07 0.50 0.52 0.50 -0.34 0.00 0.00 178.44 179.69 1ujr h LYS 21 N 0.39 0.70 -0.59 1.25 1.63 -1.69 -1.50 116.57 116.77 1ujr h LYS 21 Ca 0.11 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1ujr h LYS 21 Cb 0.19 -0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 31.56 1ujr h LYS 21 CO -0.01 0.46 -0.55 0.00 -3.45 0.00 0.00 179.45 175.91 1ujr h ALA 22 N 1.58 -0.65 -0.89 5.00 0.00 -1.43 1.21 119.26 124.07 1ujr h ALA 22 Ca 0.50 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.58 1ujr h ALA 22 Cb 0.69 1.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 1ujr h ALA 22 CO -0.35 -1.00 -0.46 0.00 0.00 0.00 0.00 179.25 177.45 1ujr h ALA 23 N 0.21 -0.16 0.80 0.00 0.00 -1.29 0.28 119.26 119.10 1ujr h ALA 23 Ca 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ujr h ALA 23 Cb 0.55 1.10 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1ujr h ALA 23 CO -0.70 -0.77 -0.38 0.77 0.00 0.00 0.00 179.25 178.17 1ujr h SER 24 N -0.06 -0.91 -0.93 0.00 0.02 -0.78 -2.58 113.55 108.32 1ujr h SER 24 Ca 0.25 0.02 0.37 0.00 -0.84 0.00 0.00 61.79 61.60 1ujr h SER 24 Cb 0.54 0.23 -0.17 0.00 0.14 0.00 0.00 62.40 63.14 1ujr h SER 24 CO -0.90 -0.63 0.43 0.54 -1.14 0.00 0.00 176.83 175.13 1ujr n ARG 25 N -5.54 -0.06 -0.13 3.45 1.74 0.39 0.20 116.66 116.71 1ujr n ARG 25 Ca -0.15 1.30 0.26 0.00 -0.77 0.00 0.00 57.85 58.49 1ujr n ARG 25 Cb 0.43 -2.29 0.50 0.00 -1.02 0.00 0.00 32.46 30.08 1ujr n ARG 25 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1ujr h GLY 26 N 0.00 0.00 -0.07 -0.13 0.00 -0.11 0.45 103.07 103.22 1ujr h GLY 26 Ca 0.76 0.00 0.18 0.00 0.00 0.00 0.00 47.33 48.27 1ujr h GLY 26 CO -0.74 0.00 0.86 -0.57 0.00 0.00 0.00 176.54 176.09 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 -1.24 0.21 -2.69 115.58 112.05 1ujr h ASN 27 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1ujr h ASN 27 Cb 2.49 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.54 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 -1.57 -3.44 0.31 1.57 0.00 0.16 -4.89 105.19 97.32 1ujr n GLY 28 Ca 0.13 0.65 -0.02 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.89 0.57 -4.44 1.61 -0.58 0.13 -4.99 120.64 112.06 1ujr n GLU 29 Ca 0.00 -0.32 -0.27 0.00 -0.42 0.00 0.00 57.16 56.16 1ujr n GLU 29 Cb 0.00 0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 30.94 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 -1.85 2.02 0.01 -0.32 -0.85 -1.26 0.24 117.35 115.34 1ujr s TYR 30 Ca 0.03 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.24 1ujr s TYR 30 Cb 0.00 -1.13 -0.02 0.00 0.38 0.00 0.00 41.96 41.19 1ujr s TYR 30 CO 0.02 0.23 -0.20 0.00 -1.52 0.00 0.00 175.55 174.08 1ujr s ALA 31 N -1.04 1.64 0.25 9.51 0.00 0.13 -4.75 121.76 127.50 1ujr s ALA 31 Ca 0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1ujr s ALA 31 Cb -0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 1ujr s ALA 31 CO 0.04 0.39 0.59 -1.58 0.00 0.00 0.00 175.76 175.20 1ujr s TRP 32 N -0.58 3.42 0.02 0.00 0.52 -1.26 0.06 118.94 121.12 1ujr s TRP 32 Ca 0.07 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.16 1ujr s TRP 32 Cb -0.08 -2.32 -0.02 0.00 -1.15 0.00 0.00 33.47 29.90 1ujr s TRP 32 CO 0.00 0.24 -0.07 0.71 0.02 0.00 0.00 176.95 177.85 1ujr s TYR 33 N -1.84 0.61 -0.03 -1.98 1.51 0.13 -3.09 117.35 112.67 1ujr s TYR 33 Ca 0.49 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1ujr s TYR 33 Cb -0.11 -0.37 0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1ujr s TYR 33 CO 0.20 -0.05 0.02 1.52 -1.11 0.00 0.00 175.55 176.13 1ujr s TYR 34 N -0.87 0.18 0.40 2.71 1.13 0.12 0.29 117.35 121.30 1ujr s TYR 34 Ca -0.05 0.07 -0.23 0.00 -1.41 0.00 0.00 57.07 55.45 1ujr s TYR 34 Cb -0.07 -0.33 -0.14 0.00 -1.10 0.00 0.00 41.96 40.32 1ujr s TYR 34 CO 0.00 -0.11 0.47 -1.91 -2.51 0.00 0.00 175.55 171.49 1ujr n GLU 35 N 4.20 0.44 0.00 -3.49 2.13 0.90 0.19 120.64 125.02 1ujr n GLU 35 Ca -0.26 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1ujr n GLU 35 Cb 0.50 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1ujr n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ujr n GLY 36 N 1.89 4.93 0.09 8.31 0.00 0.13 -4.67 105.19 115.87 1ujr n GLY 36 Ca 0.12 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1ujr n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujr n ARG 37 N 0.00 0.50 0.21 1.61 3.00 -1.26 -4.64 116.66 116.08 1ujr n ARG 37 Ca 0.00 0.48 -0.10 0.00 -0.00 0.00 0.00 57.85 58.23 1ujr n ARG 37 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 32.46 30.75 1ujr n ARG 37 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ujr h ASN 38 N -1.00 -0.50 0.00 6.15 -1.24 -2.00 -3.49 115.58 113.50 1ujr h ASN 38 Ca -0.15 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1ujr h ASN 38 Cb 0.87 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1ujr h ASN 38 CO -0.09 -0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.59 1ujr n GLY 39 N 0.18 -0.46 3.36 1.57 0.00 -1.26 -5.15 105.19 103.43 1ujr n GLY 39 Ca -0.08 0.40 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 0.32 2.18 0.05 1.61 0.52 -1.26 0.20 118.94 122.56 1ujr s TRP 40 Ca 0.00 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.82 1ujr s TRP 40 Cb 0.00 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 1ujr s TRP 40 CO 0.00 0.28 -0.26 -1.58 0.02 0.00 0.00 176.95 175.41 1ujr s TRP 41 N -1.04 2.27 -0.27 -1.98 0.23 0.13 -4.80 118.94 113.47 1ujr s TRP 41 Ca 0.12 -0.41 -0.12 0.00 -2.03 0.00 0.00 56.10 53.66 1ujr s TRP 41 Cb -0.10 -1.35 -0.05 0.00 0.03 0.00 0.00 33.47 32.01 1ujr s TRP 41 CO 0.05 0.13 0.25 -1.14 0.96 0.00 0.00 176.95 177.20 1ujr s GLN 42 N -1.28 3.98 0.96 4.98 0.74 -1.26 0.10 119.66 127.88 1ujr s GLN 42 Ca 0.11 -0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.21 1ujr s GLN 42 Cb -0.10 -3.65 0.17 0.00 1.10 0.00 0.00 33.01 30.53 1ujr s GLN 42 CO 0.02 -0.20 0.38 0.66 -0.55 0.00 0.00 175.29 175.61 1ujr n TYR 43 N 5.11 -2.42 -0.03 1.67 4.01 -1.18 -4.97 117.16 119.34 1ujr n TYR 43 Ca -0.12 -0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1ujr n TYR 43 Cb 0.52 -1.37 -0.00 0.00 -0.31 0.00 0.00 39.34 38.18 1ujr n TYR 43 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1ujr h ASP 44 N -2.75 0.00 0.00 7.72 3.58 -1.97 -3.49 116.42 119.51 1ujr h ASP 44 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1ujr h ASP 44 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1ujr h ASP 44 CO 0.11 0.31 0.00 1.21 -2.88 0.00 0.00 179.24 177.99 1ujr n GLU 45 N -3.45 0.00 -0.06 0.28 2.13 -1.26 -4.99 120.64 113.29 1ujr n GLU 45 Ca -0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.67 1ujr n GLU 45 Cb 0.05 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.70 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 0.56 0.34 5.31 2.47 -2.00 -2.72 114.38 118.34 1ujr h ARG 46 Ca 0.00 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.36 1ujr h ARG 46 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1ujr h ARG 46 CO 0.00 0.95 -0.16 1.15 0.56 0.00 0.00 179.97 182.47 1ujr h THR 47 N 0.22 0.00 -0.93 2.04 2.02 -1.99 -3.24 112.91 111.04 1ujr h THR 47 Ca 0.01 -0.35 0.31 0.00 0.77 0.00 0.00 66.41 67.15 1ujr h THR 47 Cb 0.91 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.15 1ujr h THR 47 CO 0.07 0.00 0.20 -1.54 0.37 0.00 0.00 175.52 174.62 1ujr n SER 48 N -4.19 0.05 -0.46 4.18 3.41 -1.26 0.24 113.62 115.60 1ujr n SER 48 Ca -0.06 1.56 0.41 0.00 -0.26 0.00 0.00 58.87 60.53 1ujr n SER 48 Cb 0.18 -0.64 0.68 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.04 4.33 2.47 -1.50 1.51 114.38 121.24 1ujr h ARG 49 Ca 0.65 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 59.01 1ujr h ARG 49 Cb 1.51 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.78 1ujr h ARG 49 CO -0.81 0.00 -2.16 0.39 0.56 0.00 0.00 179.97 177.94 1ujr n GLU 50 N -3.71 0.69 -0.27 0.04 -0.58 0.66 -3.08 120.64 114.40 1ujr n GLU 50 Ca 0.33 0.19 0.07 0.00 -0.42 0.00 0.00 57.16 57.33 1ujr n GLU 50 Cb 1.70 -1.63 0.21 0.00 -0.57 0.00 0.00 31.44 31.14 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 0.26 0.02 -4.62 4.07 0.24 0.89 115.31 116.19 1ujr h LEU 51 Ca -0.47 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.61 1ujr h LEU 51 Cb 2.02 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.87 1ujr h LEU 51 CO 0.02 0.07 -0.01 -0.08 -1.08 0.00 0.00 178.44 177.36 1ujr h GLU 52 N 0.42 -0.03 -0.81 1.13 4.22 -1.30 -0.37 114.58 117.84 1ujr h GLU 52 Ca 0.44 0.00 0.19 0.00 0.08 0.00 0.00 59.36 60.07 1ujr h GLU 52 Cb 0.70 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 1ujr h GLU 52 CO -0.44 0.71 0.27 0.22 -2.18 0.00 0.00 179.01 177.59 1ujr h ASP 53 N -0.86 0.14 0.40 1.04 1.82 -1.32 0.99 116.42 118.63 1ujr h ASP 53 Ca -0.00 0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1ujr h ASP 53 Cb 0.75 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.93 1ujr h ASP 53 CO 0.00 -0.02 -0.19 0.00 -1.61 0.00 0.00 179.24 177.42 1ujr h ALA 54 N 1.66 -0.62 -1.20 -0.78 0.00 0.72 0.71 119.26 119.76 1ujr h ALA 54 Ca 0.48 -0.12 0.41 0.00 0.00 0.00 0.00 54.91 55.69 1ujr h ALA 54 Cb 0.87 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1ujr h ALA 54 CO -0.53 -0.58 0.77 0.34 0.00 0.00 0.00 179.25 179.26 1ujr n PHE 55 N -4.62 0.59 -0.09 0.00 -0.00 -0.15 0.25 117.46 113.45 1ujr n PHE 55 Ca -0.07 0.60 -0.13 0.00 -0.00 0.00 0.00 57.45 57.85 1ujr n PHE 55 Cb 0.21 -1.02 -0.07 0.00 -0.00 0.00 0.00 39.48 38.60 1ujr n PHE 55 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1ujr h SER 56 N 0.00 0.00 -0.97 -2.13 0.87 -0.79 -3.37 113.55 107.16 1ujr h SER 56 Ca 0.76 -0.30 0.26 0.00 -1.23 0.00 0.00 61.79 61.27 1ujr h SER 56 Cb 2.46 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 64.24 1ujr h SER 56 CO -0.39 1.10 0.01 0.11 -0.53 0.00 0.00 176.83 177.13 1ujr h LYS 57 N -1.00 0.02 0.00 2.24 1.79 0.40 -3.44 116.57 116.57 1ujr h LYS 57 Ca -0.17 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1ujr h LYS 57 Cb 0.88 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1ujr h LYS 57 CO -0.10 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 1ujr n GLY 58 N -1.50 1.17 0.39 3.86 0.00 0.14 -4.97 105.19 104.29 1ujr n GLY 58 Ca 0.22 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.44 1ujr n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujr h LYS 59 N 0.49 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 114.95 1ujr h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ujr h LYS 59 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ujr h LYS 59 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1ujr n LYS 60 N -4.09 0.00 -3.57 3.15 4.01 -1.26 -4.66 118.16 111.74 1ujr n LYS 60 Ca 0.09 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.49 1ujr n LYS 60 Cb 0.61 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 35.02 1ujr n LYS 60 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1ujr s ASN 61 N 0.00 5.84 -0.21 4.39 -0.87 -1.26 0.18 114.94 123.01 1ujr s ASN 61 Ca 0.00 -0.66 -0.05 0.00 -1.57 0.00 0.00 52.86 50.58 1ujr s ASN 61 Cb 0.00 -2.07 -0.02 0.00 -0.02 0.00 0.00 41.25 39.13 1ujr s ASN 61 CO 0.00 -0.29 0.01 0.28 -2.57 0.00 0.00 177.10 174.53 1ujr s THR 62 N 1.64 4.02 -0.18 1.60 -1.32 0.13 -4.96 115.64 116.59 1ujr s THR 62 Ca 0.05 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 60.02 1ujr s THR 62 Cb -0.18 -2.83 -0.02 0.00 -1.51 0.00 0.00 72.50 67.96 1ujr s THR 62 CO 0.08 0.42 0.69 -1.61 -2.21 0.00 0.00 174.62 171.99 1ujr s GLU 63 N 1.09 4.26 0.04 7.08 2.02 -1.26 0.09 118.70 132.01 1ujr s GLU 63 Ca 0.03 0.75 0.09 0.00 0.02 0.00 0.00 54.97 55.85 1ujr s GLU 63 Cb -0.14 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 1ujr s GLU 63 CO 0.02 -0.23 -0.26 0.00 0.02 0.00 0.00 175.26 174.81 1ujr s MET 64 N 1.86 1.77 -0.27 1.61 0.23 0.16 -4.96 119.30 119.70 1ujr s MET 64 Ca 0.32 -1.07 0.02 0.00 -1.03 0.00 0.00 55.69 53.93 1ujr s MET 64 Cb -0.16 -1.92 0.06 0.00 -1.53 0.00 0.00 34.83 31.28 1ujr s MET 64 CO 0.12 0.50 -0.08 -1.17 -2.03 0.00 0.00 175.02 172.35 1ujr s LEU 65 N -1.16 3.54 0.00 0.18 2.96 -1.26 0.17 118.68 123.11 1ujr s LEU 65 Ca 0.11 -1.34 0.03 0.00 -0.22 0.00 0.00 54.13 52.70 1ujr s LEU 65 Cb -0.10 -1.59 0.13 0.00 0.50 0.00 0.00 46.19 45.13 1ujr s LEU 65 CO 0.02 -0.20 0.92 -0.38 -1.32 0.00 0.00 176.35 175.39 1ujr n ILE 66 N 4.49 0.00 -1.50 6.68 5.41 0.12 -4.87 119.36 129.68 1ujr n ILE 66 Ca -0.14 -1.65 -0.27 0.00 1.00 0.00 0.00 62.75 61.70 1ujr n ILE 66 Cb 0.43 -0.79 -0.20 0.00 -0.71 0.00 0.00 39.64 38.37 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 -2.74 0.88 -4.01 -1.39 0.00 -1.26 0.28 120.51 112.27 1ujr n ALA 67 Ca -0.15 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.29 1ujr n ALA 67 Cb 0.58 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 5.82 -0.30 2.83 0.00 0.00 -1.26 -4.95 105.19 107.33 1ujr n GLY 68 Ca 0.66 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.66 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 -3.73 -0.30 -0.51 1.61 0.08 0.14 -5.11 117.98 110.17 1ujr s PHE 69 Ca 0.25 0.50 -0.28 0.00 0.12 0.00 0.00 56.93 57.52 1ujr s PHE 69 Cb -0.13 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.09 1ujr s PHE 69 CO 0.89 -0.47 1.11 -0.51 -0.10 0.00 0.00 175.22 176.14 1ujr s LEU 70 N 2.35 3.67 0.16 -0.37 2.01 -1.26 0.14 118.68 125.36 1ujr s LEU 70 Ca 0.05 0.23 0.11 0.00 0.01 0.00 0.00 54.13 54.53 1ujr s LEU 70 Cb -0.14 -3.32 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 1ujr s LEU 70 CO -0.10 -1.30 -0.24 -0.31 1.01 0.00 0.00 176.35 175.41 1ujr s TYR 71 N 4.48 2.34 -0.11 0.29 2.02 0.13 0.18 117.35 126.67 1ujr s TYR 71 Ca 0.43 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1ujr s TYR 71 Cb -0.08 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1ujr s TYR 71 CO 0.28 0.42 0.03 0.08 -1.57 0.00 0.00 175.55 174.78 1ujr s VAL 72 N -1.34 0.32 -0.36 0.71 1.01 0.13 0.37 120.40 121.24 1ujr s VAL 72 Ca 0.17 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1ujr s VAL 72 Cb -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1ujr s VAL 72 CO 0.08 0.07 0.46 0.00 0.00 0.00 0.00 175.10 175.71 1ujr s ALA 73 N 1.98 3.47 -0.50 5.51 0.00 0.11 0.12 121.76 132.45 1ujr s ALA 73 Ca 0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1ujr s ALA 73 Cb -0.14 -2.97 0.08 0.00 0.00 0.00 0.00 23.12 20.09 1ujr s ALA 73 CO -0.06 -1.25 0.50 0.34 0.00 0.00 0.00 175.76 175.29 1ujr s ASP 74 N 1.77 6.18 0.22 0.00 -1.08 0.16 0.22 116.67 124.14 1ujr s ASP 74 Ca 0.16 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 50.97 1ujr s ASP 74 Cb -0.16 -2.22 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 1ujr s ASP 74 CO 0.13 -0.78 1.51 -0.07 0.52 0.00 0.00 175.17 176.48 1ujr h LEU 75 N 9.12 0.05 -0.76 -1.34 3.38 -0.48 0.48 115.31 125.76 1ujr h LEU 75 Ca -0.29 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ujr h LEU 75 Cb 1.10 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 1ujr h LEU 75 CO 0.94 0.76 0.26 -0.33 0.09 0.00 0.00 178.44 180.17 1ujr h GLU 76 N 0.03 0.35 -0.01 1.13 4.39 -1.90 0.36 114.58 118.93 1ujr h GLU 76 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ujr h GLU 76 Cb 1.29 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1ujr h GLU 76 CO 0.10 0.23 -0.75 0.09 -1.16 0.00 0.00 179.01 177.52 1ujr n ASN 77 N -5.07 1.30 -1.95 1.42 3.02 -1.20 -4.97 115.26 107.81 1ujr n ASN 77 Ca 0.15 -1.15 -0.13 0.00 -0.03 0.00 0.00 54.58 53.42 1ujr n ASN 77 Cb 0.46 0.81 0.03 0.00 -0.61 0.00 0.00 39.78 40.47 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 -0.94 -3.22 -3.90 3.52 1.56 0.47 -4.94 117.12 109.66 1ujr n MET 78 Ca 0.06 0.53 -0.11 0.00 -0.27 0.00 0.00 57.70 57.90 1ujr n MET 78 Cb 0.36 -4.59 -0.11 0.00 2.15 0.00 0.00 33.22 31.02 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1ujr s VAL 79 N -2.96 0.07 -0.10 1.12 -7.23 0.14 -0.08 120.40 111.36 1ujr s VAL 79 Ca 0.21 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1ujr s VAL 79 Cb -0.09 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 1ujr s VAL 79 CO 0.26 -0.32 -0.15 0.00 -0.31 0.00 0.00 175.10 174.58 1ujr s GLN 80 N -1.03 3.04 0.13 4.82 -2.07 0.12 0.38 119.66 125.04 1ujr s GLN 80 Ca -0.11 -0.71 0.05 0.00 -1.82 0.00 0.00 55.36 52.77 1ujr s GLN 80 Cb -0.07 -2.51 -0.04 0.00 -1.09 0.00 0.00 33.01 29.31 1ujr s GLN 80 CO 0.00 0.35 -0.12 1.52 -1.32 0.00 0.00 175.29 175.73 1ujr s TYR 81 N -0.03 1.30 0.19 9.60 -0.85 0.12 0.35 117.35 128.03 1ujr s TYR 81 Ca -0.04 -0.63 -0.30 0.00 -0.52 0.00 0.00 57.07 55.59 1ujr s TYR 81 Cb -0.14 -0.68 -0.08 0.00 0.38 0.00 0.00 41.96 41.44 1ujr s TYR 81 CO 0.04 0.11 1.18 1.03 -1.52 0.00 0.00 175.55 176.39 1ujr s ARG 82 N -3.00 4.51 0.10 -3.49 0.52 0.10 0.20 118.95 117.89 1ujr s ARG 82 Ca 0.11 1.86 -0.31 0.00 -0.52 0.00 0.00 55.73 56.87 1ujr s ARG 82 Cb -0.02 -3.24 -0.12 0.00 0.52 0.00 0.00 34.95 32.08 1ujr s ARG 82 CO 0.02 -0.06 1.61 -0.09 0.02 0.00 0.00 175.30 176.80 1ujr h ARG 83 N 5.13 -0.69 -0.05 3.54 2.43 -0.55 0.74 114.38 124.93 1ujr h ARG 83 Ca -0.45 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 1ujr h ARG 83 Cb 1.21 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1ujr h ARG 83 CO 0.74 -0.46 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.61 1ujr h ASN 84 N -0.71 0.27 -1.53 -3.80 4.21 -1.93 -3.30 115.58 108.79 1ujr h ASN 84 Ca -0.01 -0.65 -0.76 0.00 1.21 0.00 0.00 56.30 56.08 1ujr h ASN 84 Cb 0.66 -0.08 -0.17 0.00 -1.12 0.00 0.00 38.32 37.61 1ujr h ASN 84 CO -0.09 0.88 1.95 -0.62 -1.29 0.00 0.00 177.43 178.25 1ujr n GLU 85 N -4.53 4.87 -0.64 0.81 -0.58 -1.17 -4.75 120.64 114.65 1ujr n GLU 85 Ca -0.08 -3.87 0.50 0.00 -0.42 0.00 0.00 57.16 53.28 1ujr n GLU 85 Cb 0.45 -2.58 0.81 0.00 -0.57 0.00 0.00 31.44 29.55 1ujr n GLU 85 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ujr h HIS 86 N 4.49 0.01 0.67 -0.32 3.86 -0.94 0.56 115.15 123.48 1ujr h HIS 86 Ca 0.64 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.82 1ujr h HIS 86 Cb 0.31 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.79 1ujr h HIS 86 CO 1.51 -0.00 -0.32 0.78 0.86 0.00 0.00 177.93 180.75 1ujr h GLY 87 N 0.00 -0.93 -5.71 2.45 0.00 -1.85 -3.41 103.07 93.61 1ujr h GLY 87 Ca 0.87 0.35 -0.54 0.00 0.00 0.00 0.00 47.33 48.00 1ujr h GLY 87 CO -0.02 -0.34 1.28 0.50 0.00 0.00 0.00 176.54 177.96 1ujr s ARG 88 N -5.75 3.92 0.24 4.80 3.00 0.19 -4.90 118.95 120.45 1ujr s ARG 88 Ca -0.17 2.44 -0.19 0.00 0.00 0.00 0.00 55.73 57.81 1ujr s ARG 88 Cb 0.03 -4.20 0.02 0.00 0.00 0.00 0.00 34.95 30.81 1ujr s ARG 88 CO 0.59 -1.21 0.61 -0.98 0.00 0.00 0.00 175.30 174.31 1ujr s ARG 89 N 4.85 1.58 0.11 3.54 1.70 -1.26 0.01 118.95 129.48 1ujr s ARG 89 Ca 0.90 -0.96 -0.15 0.00 -0.47 0.00 0.00 55.73 55.04 1ujr s ARG 89 Cb -0.40 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.57 1ujr s ARG 89 CO 0.39 -0.70 0.38 1.03 -1.08 0.00 0.00 175.30 175.32 1ujr s ARG 90 N -3.91 1.01 0.08 3.89 3.00 0.15 -4.96 118.95 118.21 1ujr s ARG 90 Ca 0.12 -0.67 -0.27 0.00 0.00 0.00 0.00 55.73 54.91 1ujr s ARG 90 Cb -0.03 0.44 -0.06 0.00 0.00 0.00 0.00 34.95 35.30 1ujr s ARG 90 CO 0.03 -0.38 0.83 0.15 0.00 0.00 0.00 175.30 175.93 1ujr s LYS 91 N -3.55 4.57 0.28 3.54 1.02 -1.26 0.16 119.74 124.50 1ujr s LYS 91 Ca 0.02 1.20 0.09 0.00 0.02 0.00 0.00 55.97 57.30 1ujr s LYS 91 Cb 0.02 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1ujr s LYS 91 CO -0.10 0.29 0.04 0.96 -0.92 0.00 0.00 175.35 175.62 1ujr s ILE 92 N -0.15 3.45 0.17 2.17 -4.36 0.88 -0.07 121.20 123.29 1ujr s ILE 92 Ca 0.41 -1.84 -0.16 0.00 -0.26 0.00 0.00 60.65 58.80 1ujr s ILE 92 Cb -0.22 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.61 1ujr s ILE 92 CO 0.26 -0.34 0.46 -1.59 0.24 0.00 0.00 174.94 173.97 1ujr s LYS 93 N -3.72 1.27 -0.26 0.37 -2.85 0.15 -4.71 119.74 109.99 1ujr s LYS 93 Ca 0.33 -0.87 0.01 0.00 -1.00 0.00 0.00 55.97 54.44 1ujr s LYS 93 Cb -0.06 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.25 1ujr s LYS 93 CO 0.21 -0.52 -0.09 0.50 0.10 0.00 0.00 175.35 175.55 1ujr s ARG 94 N -3.87 2.41 0.43 1.78 3.52 -1.26 0.20 118.95 122.15 1ujr s ARG 94 Ca 0.09 -1.25 0.08 0.00 -0.13 0.00 0.00 55.73 54.52 1ujr s ARG 94 Cb 0.00 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 1ujr s ARG 94 CO -0.05 -0.53 0.43 0.34 -0.81 0.00 0.00 175.30 174.68 1ujr s ASP 95 N 1.17 5.16 -0.18 -2.12 2.15 0.11 -4.94 116.67 118.02 1ujr s ASP 95 Ca -0.06 -0.70 -0.06 0.00 0.43 0.00 0.00 52.55 52.16 1ujr s ASP 95 Cb -0.19 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 41.87 1ujr s ASP 95 CO -0.05 -0.71 0.02 -0.63 -0.17 0.00 0.00 175.17 173.63 1ujr s ILE 96 N -2.46 4.31 0.00 4.11 1.01 -1.26 0.21 121.20 127.11 1ujr s ILE 96 Ca 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1ujr s ILE 96 Cb -0.05 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1ujr s ILE 96 CO 0.29 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 175.30 1ujr n ILE 97 N 3.82 0.00 -1.54 2.92 2.08 0.14 -4.76 119.36 122.02 1ujr n ILE 97 Ca -0.17 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1ujr n ILE 97 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 -1.27 -6.57 -4.91 4.38 2.03 -1.26 0.21 116.55 109.16 1ujr n ASP 98 Ca 0.00 0.91 -0.27 0.00 0.52 0.00 0.00 54.79 55.95 1ujr n ASP 98 Cb 0.00 -3.67 -0.01 0.00 -0.72 0.00 0.00 41.12 36.72 1ujr n ASP 98 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ujr s ILE 99 N -0.34 4.97 -0.86 5.18 -5.25 -1.26 -1.61 121.20 122.04 1ujr s ILE 99 Ca 0.00 0.04 -0.25 0.00 -0.99 0.00 0.00 60.65 59.45 1ujr s ILE 99 Cb 0.00 -3.82 0.00 0.00 2.95 0.00 0.00 42.46 41.59 1ujr s ILE 99 CO 0.00 -0.62 1.65 -2.16 -1.79 0.00 0.00 174.94 172.02 1ujr s PRO 100 N -4.26 3.03 -0.26 0.37 0.04 -1.24 -4.71 135.00 127.97 1ujr s PRO 100 Ca 0.45 -0.40 -0.12 0.00 0.04 0.00 0.00 61.00 60.97 1ujr s PRO 100 Cb -0.10 -4.88 -0.14 0.00 0.04 0.00 0.00 34.50 29.41 1ujr s PRO 100 CO 0.38 -2.66 -0.23 1.17 0.04 0.00 0.00 177.00 175.70 1ujr n LYS 101 N 9.02 0.60 -0.08 4.56 3.00 -1.26 -4.28 118.16 129.72 1ujr n LYS 101 Ca 0.28 0.29 -0.13 0.00 -0.00 0.00 0.00 58.31 58.75 1ujr n LYS 101 Cb 0.50 -1.54 -0.07 0.00 0.00 0.00 0.00 35.03 33.91 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ujr h LYS 102 N -0.79 0.00 -0.87 1.64 3.64 -2.04 -3.38 116.57 114.77 1ujr h LYS 102 Ca -0.63 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 58.86 1ujr h LYS 102 Cb 1.64 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.33 1ujr h LYS 102 CO -0.32 0.56 -0.42 0.41 -2.27 0.00 0.00 179.45 177.41 1ujr n GLY 103 N 1.56 -2.00 3.37 5.01 0.00 -1.26 -4.47 105.19 107.39 1ujr n GLY 103 Ca -0.17 1.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.43 1ujr n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujr n VAL 104 N -5.19 1.18 -3.61 1.61 3.14 -1.26 -4.96 118.33 109.24 1ujr n VAL 104 Ca 0.06 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.90 1ujr n VAL 104 Cb 0.29 -0.21 -0.02 0.00 -1.06 0.00 0.00 33.84 32.84 1ujr n VAL 104 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ujr s SER 105 N -0.98 -0.10 0.00 6.55 0.15 -1.26 -4.98 113.70 113.07 1ujr s SER 105 Ca 0.61 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1ujr s SER 105 Cb -0.64 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1ujr s SER 105 CO 0.60 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1ujr n GLY 106 N -0.09 -0.52 3.75 9.45 0.00 -1.26 -5.00 105.19 111.52 1ujr n GLY 106 Ca 0.01 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1ujr n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujr s PRO 107 N 0.00 4.65 -0.11 1.61 0.04 -1.26 -5.04 135.00 134.89 1ujr s PRO 107 Ca 0.00 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1ujr s PRO 107 Cb 0.00 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1ujr s PRO 107 CO 0.00 0.21 -0.04 0.45 0.04 0.00 0.00 177.00 177.66 1ujr s SER 108 N -0.76 4.86 -0.01 6.66 0.15 -1.26 -5.11 113.70 118.24 1ujr s SER 108 Ca 0.45 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.09 1ujr s SER 108 Cb -0.31 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 1ujr s SER 108 CO 0.39 0.28 0.00 -0.55 1.20 0.00 0.00 173.24 174.57 1ujr s SER 109 N -0.33 5.15 0.00 5.45 0.15 -1.26 -5.33 113.70 117.53 1ujr s SER 109 Ca 0.06 0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.86 1ujr s SER 109 Cb -0.12 -1.36 0.85 0.00 -1.71 0.00 0.00 66.02 63.67 1ujr s SER 109 CO 0.02 0.29 1.27 0.61 1.20 0.00 0.00 173.24 176.63