#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr n SER 2 N 0.00 0.00 -3.62 3.54 2.88 -1.26 -5.16 113.62 110.01 1ujr n SER 2 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ujr n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ujr n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujr s SER 3 N 0.00 -0.06 0.00 -3.46 0.15 -1.26 -5.18 113.70 103.89 1ujr s SER 3 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ujr s SER 3 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1ujr s SER 3 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1ujr n GLY 4 N -0.12 1.38 1.28 9.45 0.00 -1.26 -5.16 105.19 110.76 1ujr n GLY 4 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -7.12 0.00 1.61 7.64 -1.26 -5.10 113.62 109.39 1ujr n SER 5 Ca 0.00 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1ujr n SER 5 Cb 0.00 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 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 -0.30 0.00 0.00 6.43 7.64 -1.26 -5.18 113.62 120.95 1ujr n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ujr n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.38 3.73 3.15 0.23 0.00 -1.26 -5.16 105.19 105.50 1ujr n GLY 7 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.71 1ujr n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujr s PHE 8 N 0.00 -0.29 -0.29 1.61 -0.71 -1.26 -5.15 117.98 111.89 1ujr s PHE 8 Ca 0.00 0.21 -0.06 0.00 -1.04 0.00 0.00 56.93 56.04 1ujr s PHE 8 Cb 0.00 0.06 0.15 0.00 -1.21 0.00 0.00 43.02 42.03 1ujr s PHE 8 CO 0.00 -0.16 0.61 -0.51 -1.34 0.00 0.00 175.22 173.82 1ujr s LEU 9 N 2.97 -1.20 0.00 -1.99 1.43 -1.26 -5.15 118.68 113.49 1ujr s LEU 9 Ca 0.18 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1ujr s LEU 9 Cb -0.04 2.17 0.00 0.00 0.03 0.00 0.00 46.19 48.36 1ujr s LEU 9 CO -0.18 -0.24 0.00 -0.90 0.23 0.00 0.00 176.35 175.26 1ujr n ASP 10 N 5.44 0.00 -2.69 2.29 5.75 -1.26 -5.10 116.55 120.97 1ujr n ASP 10 Ca -0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.65 1ujr n ASP 10 Cb 0.50 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.67 1ujr n ASP 10 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ujr n LYS 11 N -0.08 0.37 -1.55 0.11 0.00 -1.26 -5.16 118.16 110.59 1ujr n LYS 11 Ca 0.00 -1.06 -0.30 0.00 -0.00 0.00 0.00 58.31 56.96 1ujr n LYS 11 Cb 0.00 -0.58 0.10 0.00 -0.00 0.00 0.00 35.03 34.55 1ujr n LYS 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ujr s PRO 12 N 0.25 1.91 0.35 -1.58 0.04 -1.26 -5.07 135.00 129.63 1ujr s PRO 12 Ca 0.26 0.57 0.07 0.00 0.04 0.00 0.00 61.00 61.94 1ujr s PRO 12 Cb 0.24 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 1ujr s PRO 12 CO -0.14 -1.73 0.44 0.99 0.04 0.00 0.00 177.00 176.60 1ujr s THR 13 N -3.18 3.75 0.00 1.26 2.01 -1.26 -5.10 115.64 113.11 1ujr s THR 13 Ca 0.61 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1ujr s THR 13 Cb -0.14 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1ujr s THR 13 CO 0.54 -0.13 0.00 0.18 -0.69 0.00 0.00 174.62 174.52 1ujr n LEU 14 N -1.60 0.00 0.00 4.42 4.77 -1.26 -5.17 117.00 118.16 1ujr n LEU 14 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ujr n LEU 14 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1ujr n LEU 14 CO 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 1ujr n LEU 15 N 0.00 0.00 -4.15 2.23 -0.00 -1.26 -5.08 117.00 108.74 1ujr n LEU 15 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1ujr n LEU 15 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1ujr n LEU 15 CO 0.00 -1.16 -0.01 -0.44 -0.00 0.00 0.00 177.39 175.78 1ujr s SER 16 N -1.89 0.72 0.09 1.45 0.01 -1.26 -5.03 113.70 107.80 1ujr s SER 16 Ca 0.00 -1.43 0.23 0.00 1.31 0.00 0.00 55.95 56.06 1ujr s SER 16 Cb 0.00 0.55 0.92 0.00 0.21 0.00 0.00 66.02 67.70 1ujr s SER 16 CO 0.00 -1.10 1.72 -0.81 0.41 0.00 0.00 173.24 173.45 1ujr n PRO 17 N -0.47 0.09 0.06 12.44 -0.04 -1.26 -2.97 135.00 142.84 1ujr n PRO 17 Ca 0.02 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1ujr n PRO 17 Cb 0.63 -1.63 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.36 -0.93 0.54 4.39 -2.00 -3.34 114.58 113.60 1ujr h GLU 18 Ca 0.00 -0.61 0.19 0.00 0.34 0.00 0.00 59.36 59.27 1ujr h GLU 18 Cb 0.44 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 1ujr h GLU 18 CO 0.00 1.28 0.60 0.93 -1.16 0.00 0.00 179.01 180.66 1ujr h GLU 19 N 0.10 0.54 -0.41 2.33 5.08 -1.89 0.65 114.58 120.98 1ujr h GLU 19 Ca -0.36 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1ujr h GLU 19 Cb 2.08 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 31.15 1ujr h GLU 19 CO 0.16 0.36 0.02 1.25 -1.00 0.00 0.00 179.01 179.80 1ujr h LEU 20 N 0.56 -0.13 -1.53 1.33 6.46 -1.68 0.24 115.31 120.57 1ujr h LEU 20 Ca 0.49 0.09 0.17 0.00 -0.12 0.00 0.00 57.88 58.52 1ujr h LEU 20 Cb 1.00 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 41.03 1ujr h LEU 20 CO -0.23 -0.03 0.55 0.11 -0.62 0.00 0.00 178.44 178.22 1ujr h LYS 21 N 0.13 0.42 -0.93 1.25 6.56 -1.03 0.40 116.57 123.36 1ujr h LYS 21 Ca 0.20 -0.03 0.16 0.00 -1.06 0.00 0.00 60.65 59.92 1ujr h LYS 21 Cb 0.28 -0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.77 1ujr h LYS 21 CO -0.32 0.28 0.59 0.00 -2.06 0.00 0.00 179.45 177.94 1ujr h ALA 22 N 1.62 1.80 -0.12 3.86 0.00 -0.37 0.00 119.26 126.06 1ujr h ALA 22 Ca 0.42 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1ujr h ALA 22 Cb 0.99 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ujr h ALA 22 CO -0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 179.25 178.95 1ujr h ALA 23 N 1.60 0.17 -1.33 0.00 0.00 -0.12 -2.86 119.26 116.73 1ujr h ALA 23 Ca 0.48 -0.27 0.40 0.00 0.00 0.00 0.00 54.91 55.53 1ujr h ALA 23 Cb 0.78 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1ujr h ALA 23 CO -0.24 -0.03 0.89 1.03 0.00 0.00 0.00 179.25 180.89 1ujr h SER 24 N -0.11 0.21 -1.00 0.00 0.87 -0.70 1.10 113.55 113.94 1ujr h SER 24 Ca 0.02 0.08 0.23 0.00 -1.23 0.00 0.00 61.79 60.90 1ujr h SER 24 Cb 0.55 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 62.48 1ujr h SER 24 CO 0.02 -0.07 0.63 0.03 -0.53 0.00 0.00 176.83 176.91 1ujr h ARG 25 N 0.13 0.53 0.00 2.24 2.47 -1.20 0.69 114.38 119.24 1ujr h ARG 25 Ca 0.75 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.43 1ujr h ARG 25 Cb 2.45 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.66 1ujr h ARG 25 CO -0.27 0.35 0.33 0.78 0.56 0.00 0.00 179.97 181.72 1ujr h GLY 26 N 0.54 0.00 1.06 0.04 0.00 0.11 0.18 103.07 105.00 1ujr h GLY 26 Ca 0.57 0.00 0.13 0.00 0.00 0.00 0.00 47.33 48.04 1ujr h GLY 26 CO -0.32 0.00 0.34 3.43 0.00 0.00 0.00 176.54 179.99 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 4.21 0.27 -3.39 115.58 116.87 1ujr h ASN 27 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ujr h ASN 27 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 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 -1.62 2.75 0.00 2.83 0.00 0.62 -4.87 105.19 104.89 1ujr n GLY 28 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ujr n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ujr n GLU 29 N 0.00 0.00 -1.76 1.61 2.13 0.15 -4.84 120.64 117.93 1ujr n GLU 29 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 1ujr n GLU 29 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1ujr s TYR 30 N -2.00 2.26 -0.08 4.31 -0.85 -1.26 0.08 117.35 119.80 1ujr s TYR 30 Ca 0.00 1.35 -0.15 0.00 -0.52 0.00 0.00 57.07 57.75 1ujr s TYR 30 Cb 0.00 -3.84 0.03 0.00 0.38 0.00 0.00 41.96 38.54 1ujr s TYR 30 CO 0.00 -2.99 0.37 0.00 -1.52 0.00 0.00 175.55 171.41 1ujr s ALA 31 N -1.28 -0.93 0.08 9.51 0.00 0.14 -4.76 121.76 124.51 1ujr s ALA 31 Ca 0.71 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1ujr s ALA 31 Cb -0.41 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1ujr s ALA 31 CO 0.49 -0.23 0.18 -1.58 0.00 0.00 0.00 175.76 174.62 1ujr s TRP 32 N -0.53 3.41 -0.02 0.00 0.52 -1.26 0.15 118.94 121.21 1ujr s TRP 32 Ca -0.06 0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.25 1ujr s TRP 32 Cb -0.04 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1ujr s TRP 32 CO 0.03 0.56 -0.06 0.71 0.02 0.00 0.00 176.95 178.21 1ujr s TYR 33 N -1.50 0.68 -0.03 -1.98 1.51 0.14 -3.60 117.35 112.57 1ujr s TYR 33 Ca 0.33 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 1ujr s TYR 33 Cb -0.12 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1ujr s TYR 33 CO 0.26 -0.10 -0.19 1.52 -1.11 0.00 0.00 175.55 175.94 1ujr s TYR 34 N 0.36 2.56 -0.45 2.71 1.13 0.96 0.28 117.35 124.91 1ujr s TYR 34 Ca -0.05 -0.26 -0.41 0.00 -1.41 0.00 0.00 57.07 54.94 1ujr s TYR 34 Cb -0.09 -1.56 -0.17 0.00 -1.10 0.00 0.00 41.96 39.05 1ujr s TYR 34 CO 0.00 0.13 2.14 -1.91 -2.51 0.00 0.00 175.55 173.39 1ujr n GLU 35 N 2.23 0.36 -1.31 -3.49 4.07 0.11 -0.14 120.64 122.47 1ujr n GLU 35 Ca -0.17 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1ujr n GLU 35 Cb 0.52 -1.82 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 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 7.07 2.96 0.32 8.31 0.00 0.14 -4.76 105.19 119.23 1ujr n GLY 36 Ca 0.50 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.75 -0.99 1.61 3.08 -1.93 -3.19 114.38 112.20 1ujr h ARG 37 Ca 0.00 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1ujr h ARG 37 Cb 0.00 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1ujr h ARG 37 CO 0.00 -0.50 0.65 -0.97 -1.07 0.00 0.00 179.97 178.08 1ujr h ASN 38 N -1.02 1.07 0.00 7.04 -0.73 -1.99 -3.46 115.58 116.48 1ujr h ASN 38 Ca -0.08 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1ujr h ASN 38 Cb 0.60 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1ujr h ASN 38 CO 0.13 0.72 0.00 0.61 -0.37 0.00 0.00 177.43 178.52 1ujr n GLY 39 N -1.37 -1.71 2.94 1.57 0.00 -1.21 -5.11 105.19 100.31 1ujr n GLY 39 Ca 0.14 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.52 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 0.03 1.61 0.52 -1.26 0.25 118.94 121.25 1ujr s TRP 40 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.74 1ujr s TRP 40 Cb 0.00 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 1ujr s TRP 40 CO 0.00 -0.29 -0.12 -1.58 0.02 0.00 0.00 176.95 174.98 1ujr s TRP 41 N 1.00 2.72 0.54 -1.98 0.23 0.80 -4.71 118.94 117.54 1ujr s TRP 41 Ca -0.09 -0.15 -0.05 0.00 -2.03 0.00 0.00 56.10 53.78 1ujr s TRP 41 Cb -0.15 -1.53 -0.01 0.00 0.03 0.00 0.00 33.47 31.81 1ujr s TRP 41 CO -0.00 0.32 0.84 -1.14 0.96 0.00 0.00 176.95 177.93 1ujr s GLN 42 N -1.48 3.22 0.03 4.98 0.74 -1.26 -0.03 119.66 125.86 1ujr s GLN 42 Ca 0.16 0.09 -0.00 0.00 0.05 0.00 0.00 55.36 55.66 1ujr s GLN 42 Cb -0.11 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.69 1ujr s GLN 42 CO 0.07 -0.46 0.05 0.66 -0.55 0.00 0.00 175.29 175.05 1ujr n TYR 43 N -2.43 -3.46 0.01 1.67 4.01 -1.24 -4.89 117.16 110.84 1ujr n TYR 43 Ca 0.03 -0.07 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 1ujr n TYR 43 Cb 0.56 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1ujr n TYR 43 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ujr h ASP 44 N -0.03 -0.03 0.00 7.72 3.32 -1.97 -3.47 116.42 121.96 1ujr h ASP 44 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ujr h ASP 44 Cb 0.05 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ujr h ASP 44 CO 0.02 -0.00 0.00 1.21 -1.72 0.00 0.00 179.24 178.74 1ujr n GLU 45 N -2.19 0.00 0.08 3.56 2.13 -1.26 -4.23 120.64 118.72 1ujr n GLU 45 Ca -0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.70 1ujr n GLU 45 Cb 0.01 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.65 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 -0.25 -0.96 5.31 2.47 -1.98 -1.34 114.38 117.63 1ujr h ARG 46 Ca 0.00 0.02 0.26 0.00 -1.26 0.00 0.00 59.98 59.00 1ujr h ARG 46 Cb 0.00 0.06 -0.18 0.00 -1.65 0.00 0.00 29.97 28.20 1ujr h ARG 46 CO 0.00 0.15 0.03 1.15 0.56 0.00 0.00 179.97 181.86 1ujr h THR 47 N -0.84 0.06 -0.19 2.04 2.02 -1.98 0.73 112.91 114.75 1ujr h THR 47 Ca -0.03 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1ujr h THR 47 Cb 0.52 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ujr h THR 47 CO 0.04 0.01 -0.29 0.77 0.37 0.00 0.00 175.52 176.42 1ujr h SER 48 N 0.03 0.59 -1.12 4.18 4.64 -1.95 -2.95 113.55 116.96 1ujr h SER 48 Ca 0.58 -0.52 0.31 0.00 -0.47 0.00 0.00 61.79 61.69 1ujr h SER 48 Cb 1.18 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.02 1ujr h SER 48 CO -0.89 0.99 0.76 0.03 -0.87 0.00 0.00 176.83 176.86 1ujr h ARG 49 N 0.19 0.19 -0.00 4.77 2.47 0.16 1.28 114.38 123.45 1ujr h ARG 49 Ca 0.02 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 1ujr h ARG 49 Cb 0.87 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 1ujr h ARG 49 CO 0.07 0.13 -0.81 0.93 0.56 0.00 0.00 179.97 180.84 1ujr h GLU 50 N 0.20 0.12 -0.46 0.04 4.39 -0.87 -2.53 114.58 115.47 1ujr h GLU 50 Ca 0.60 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1ujr h GLU 50 Cb 1.91 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.57 1ujr h GLU 50 CO -0.18 0.87 0.25 -0.07 -1.16 0.00 0.00 179.01 178.72 1ujr h LEU 51 N 0.07 0.58 0.50 1.33 3.38 0.17 -0.48 115.31 120.87 1ujr h LEU 51 Ca -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ujr h LEU 51 Cb 1.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1ujr h LEU 51 CO 0.12 0.50 -0.24 -0.08 0.09 0.00 0.00 178.44 178.83 1ujr h GLU 52 N 0.61 -0.65 -0.96 1.13 4.22 -1.31 0.40 114.58 118.02 1ujr h GLU 52 Ca 0.16 0.04 0.28 0.00 0.08 0.00 0.00 59.36 59.93 1ujr h GLU 52 Cb 0.05 0.15 -0.17 0.00 0.50 0.00 0.00 28.75 29.28 1ujr h GLU 52 CO -0.03 -0.43 0.13 0.22 -2.18 0.00 0.00 179.01 176.72 1ujr h ASP 53 N -0.86 -0.29 0.37 1.04 3.58 -1.46 1.11 116.42 119.91 1ujr h ASP 53 Ca -0.07 0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1ujr h ASP 53 Cb 0.52 0.42 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1ujr h ASP 53 CO 0.11 -0.33 -0.18 0.00 -2.88 0.00 0.00 179.24 175.97 1ujr h ALA 54 N 1.94 -0.81 -0.87 -0.78 0.00 -1.01 0.22 119.26 117.95 1ujr h ALA 54 Ca 0.62 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.62 1ujr h ALA 54 Cb 1.32 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 19.14 1ujr h ALA 54 CO -0.85 -0.77 -0.06 0.35 0.00 0.00 0.00 179.25 177.92 1ujr h PHE 55 N -0.66 -0.18 0.60 0.00 3.57 0.17 0.65 116.94 121.08 1ujr h PHE 55 Ca -0.05 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ujr h PHE 55 Cb 0.38 0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.34 1ujr h PHE 55 CO 0.07 -0.34 -0.29 1.03 -2.23 0.00 0.00 178.31 176.55 1ujr h SER 56 N 0.04 -0.68 -1.33 0.41 0.87 0.12 -2.72 113.55 110.26 1ujr h SER 56 Ca 0.48 0.02 0.40 0.00 -1.23 0.00 0.00 61.79 61.46 1ujr h SER 56 Cb 0.86 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.89 1ujr h SER 56 CO -0.82 -0.42 0.90 0.11 -0.53 0.00 0.00 176.83 176.06 1ujr h LYS 57 N -0.93 0.12 0.00 2.24 1.57 0.55 -3.43 116.57 116.68 1ujr h LYS 57 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ujr h LYS 57 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ujr h LYS 57 CO 0.13 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 1ujr n GLY 58 N -1.62 1.39 3.53 3.86 0.00 0.20 -5.04 105.19 107.51 1ujr n GLY 58 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 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 0.45 -0.45 1.61 5.02 0.63 -4.67 118.16 120.74 1ujr n LYS 59 Ca 0.00 -0.31 0.41 0.00 -2.02 0.00 0.00 58.31 56.39 1ujr n LYS 59 Cb 0.00 -2.64 0.70 0.00 -0.02 0.00 0.00 35.03 33.07 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 13.86 0.00 -1.84 1.97 6.56 -1.91 -3.34 116.57 131.87 1ujr h LYS 60 Ca -0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1ujr h LYS 60 Cb 1.15 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.60 1ujr h LYS 60 CO 1.25 0.00 0.30 0.54 -2.06 0.00 0.00 179.45 179.49 1ujr s ASN 61 N -4.05 -0.57 0.03 0.86 2.20 -1.26 0.21 114.94 112.37 1ujr s ASN 61 Ca -0.04 0.72 0.07 0.00 -0.94 0.00 0.00 52.86 52.67 1ujr s ASN 61 Cb 0.22 0.60 -0.02 0.00 -2.00 0.00 0.00 41.25 40.05 1ujr s ASN 61 CO 0.74 -0.46 -0.20 0.28 -2.94 0.00 0.00 177.10 174.52 1ujr s THR 62 N -0.88 1.63 -0.19 0.54 -1.32 0.16 -4.96 115.64 110.62 1ujr s THR 62 Ca -0.06 -1.14 -0.15 0.00 -1.21 0.00 0.00 61.69 59.13 1ujr s THR 62 Cb -0.01 -1.41 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 1ujr s THR 62 CO 0.05 0.23 0.37 -1.61 -2.21 0.00 0.00 174.62 171.46 1ujr s GLU 63 N -1.07 4.20 0.37 7.08 8.01 -1.26 0.07 118.70 136.10 1ujr s GLU 63 Ca 0.07 0.18 0.08 0.00 0.01 0.00 0.00 54.97 55.31 1ujr s GLU 63 Cb -0.09 -3.51 -0.07 0.00 -4.31 0.00 0.00 34.13 26.16 1ujr s GLU 63 CO 0.01 0.04 -0.01 0.00 0.01 0.00 0.00 175.26 175.31 1ujr s MET 64 N 1.08 1.96 -0.26 1.61 0.23 0.15 -4.96 119.30 119.10 1ujr s MET 64 Ca 0.19 -1.94 0.01 0.00 -1.03 0.00 0.00 55.69 52.92 1ujr s MET 64 Cb -0.14 -1.76 0.07 0.00 -1.53 0.00 0.00 34.83 31.47 1ujr s MET 64 CO 0.07 0.06 -0.02 -1.17 -2.03 0.00 0.00 175.02 171.92 1ujr s LEU 65 N -3.69 2.99 0.68 0.18 2.96 -1.26 0.25 118.68 120.80 1ujr s LEU 65 Ca 0.35 -1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 52.79 1ujr s LEU 65 Cb 0.04 -1.26 0.07 0.00 0.50 0.00 0.00 46.19 45.54 1ujr s LEU 65 CO 0.18 -0.28 0.98 -0.63 -1.32 0.00 0.00 176.35 175.28 1ujr s ILE 66 N 1.31 2.33 -0.96 6.68 -1.09 0.14 -4.85 121.20 124.76 1ujr s ILE 66 Ca -0.02 -0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 1ujr s ILE 66 Cb -0.19 -2.97 -0.28 0.00 -1.58 0.00 0.00 42.46 37.44 1ujr s ILE 66 CO -0.09 0.00 2.32 0.00 -1.23 0.00 0.00 174.94 175.94 1ujr n ALA 67 N -2.83 0.84 -3.79 9.38 0.00 -1.26 0.38 120.51 123.24 1ujr n ALA 67 Ca 0.09 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.53 1ujr n ALA 67 Cb 0.60 -2.49 0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 5.89 -0.32 3.15 0.00 0.00 -1.26 -4.96 105.19 107.69 1ujr n GLY 68 Ca 0.64 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.64 -1.44 -0.03 1.61 0.08 0.16 -5.13 117.98 109.59 1ujr s PHE 69 Ca 0.14 0.84 -0.30 0.00 0.12 0.00 0.00 56.93 57.73 1ujr s PHE 69 Cb -0.07 0.25 -0.06 0.00 -0.57 0.00 0.00 43.02 42.57 1ujr s PHE 69 CO 0.83 -0.84 1.61 -0.51 -0.10 0.00 0.00 175.22 176.21 1ujr s LEU 70 N 2.86 4.32 0.34 -0.37 1.43 -1.26 0.26 118.68 126.27 1ujr s LEU 70 Ca 0.15 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.58 1ujr s LEU 70 Cb -0.07 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1ujr s LEU 70 CO -0.25 -0.89 -0.07 -0.31 0.23 0.00 0.00 176.35 175.06 1ujr s TYR 71 N 3.63 2.34 -0.08 0.29 2.02 0.14 0.06 117.35 125.74 1ujr s TYR 71 Ca 0.72 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1ujr s TYR 71 Cb -0.34 -1.39 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1ujr s TYR 71 CO 0.29 0.51 -0.03 0.08 -1.57 0.00 0.00 175.55 174.83 1ujr s VAL 72 N -2.70 0.58 -0.26 0.71 1.01 0.18 0.33 120.40 120.25 1ujr s VAL 72 Ca 0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1ujr s VAL 72 Cb 0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1ujr s VAL 72 CO 0.16 0.29 0.15 0.00 0.00 0.00 0.00 175.10 175.70 1ujr s ALA 73 N 1.77 3.45 -0.21 5.51 0.00 0.11 0.05 121.76 132.44 1ujr s ALA 73 Ca 0.03 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1ujr s ALA 73 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1ujr s ALA 73 CO -0.05 -0.47 0.07 0.34 0.00 0.00 0.00 175.76 175.64 1ujr s ASP 74 N 1.60 5.41 -0.10 0.00 -1.08 0.16 0.36 116.67 123.02 1ujr s ASP 74 Ca 0.07 -0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.12 1ujr s ASP 74 Cb -0.15 -1.95 -0.24 0.00 -1.46 0.00 0.00 42.92 39.12 1ujr s ASP 74 CO 0.08 0.08 0.42 0.18 0.52 0.00 0.00 175.17 176.45 1ujr n LEU 75 N 4.16 1.47 -0.28 -1.34 7.99 0.13 0.43 117.00 129.57 1ujr n LEU 75 Ca -0.16 0.25 0.07 0.00 -0.01 0.00 0.00 56.01 56.16 1ujr n LEU 75 Cb 0.52 -0.27 0.22 0.00 -0.11 0.00 0.00 43.42 43.77 1ujr n LEU 75 CO 0.33 0.59 1.05 -0.33 -1.51 0.00 0.00 177.39 177.53 1ujr h GLU 76 N 0.02 0.49 -0.00 3.23 5.08 -1.27 -0.25 114.58 121.88 1ujr h GLU 76 Ca -0.39 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1ujr h GLU 76 Cb 2.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1ujr h GLU 76 CO 0.06 0.33 -0.80 0.09 -1.00 0.00 0.00 179.01 177.69 1ujr n ASN 77 N -4.96 1.09 -3.11 1.42 3.02 -1.26 -4.99 115.26 106.48 1ujr n ASN 77 Ca 0.16 -1.05 -0.15 0.00 -0.03 0.00 0.00 54.58 53.51 1ujr n ASN 77 Cb 0.45 0.89 0.08 0.00 -0.61 0.00 0.00 39.78 40.59 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ujr n MET 78 N -1.17 -5.84 -4.30 3.52 2.81 -0.11 -4.90 117.12 107.14 1ujr n MET 78 Ca 0.05 0.73 -0.19 0.00 -1.81 0.00 0.00 57.70 56.47 1ujr n MET 78 Cb 0.32 -5.42 -0.08 0.00 -0.71 0.00 0.00 33.22 27.33 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ujr s VAL 79 N -3.31 0.05 -0.10 2.03 -7.23 0.17 -0.11 120.40 111.90 1ujr s VAL 79 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1ujr s VAL 79 Cb -0.02 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1ujr s VAL 79 CO 0.63 0.00 0.18 -1.10 -0.31 0.00 0.00 175.10 174.50 1ujr s GLN 80 N -3.52 0.06 0.02 4.82 -0.21 0.12 0.40 119.66 121.35 1ujr s GLN 80 Ca 0.39 0.55 0.05 0.00 0.02 0.00 0.00 55.36 56.37 1ujr s GLN 80 Cb 0.03 -0.35 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 1ujr s GLN 80 CO 0.25 -0.34 -0.16 1.52 -2.12 0.00 0.00 175.29 174.45 1ujr s TYR 81 N 2.31 1.39 1.04 0.91 -0.85 0.11 0.73 117.35 122.99 1ujr s TYR 81 Ca 0.03 -0.32 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 1ujr s TYR 81 Cb -0.12 -0.85 0.03 0.00 0.38 0.00 0.00 41.96 41.40 1ujr s TYR 81 CO -0.07 0.03 -0.10 -2.13 -1.52 0.00 0.00 175.55 171.76 1ujr n ARG 82 N 2.17 -0.84 -0.07 -3.49 0.63 0.74 0.49 116.66 116.27 1ujr n ARG 82 Ca -0.17 -0.22 -0.11 0.00 -0.92 0.00 0.00 57.85 56.43 1ujr n ARG 82 Cb 0.54 -1.61 -0.08 0.00 0.45 0.00 0.00 32.46 31.76 1ujr n ARG 82 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ujr h ARG 83 N -1.69 0.00 0.12 -0.14 2.43 -0.62 -3.31 114.38 111.17 1ujr h ARG 83 Ca -0.48 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.49 1ujr h ARG 83 Cb 1.33 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1ujr h ARG 83 CO 0.34 0.64 -0.96 -0.97 -1.51 0.00 0.00 179.97 177.50 1ujr h ASN 84 N -1.00 0.41 -3.37 -3.80 -0.73 -1.93 -3.39 115.58 101.77 1ujr h ASN 84 Ca -0.08 -0.91 -0.78 0.00 1.87 0.00 0.00 56.30 56.40 1ujr h ASN 84 Cb 0.77 -0.13 -0.30 0.00 0.27 0.00 0.00 38.32 38.93 1ujr h ASN 84 CO -0.05 1.44 0.37 -0.62 -0.37 0.00 0.00 177.43 178.20 1ujr n GLU 85 N -4.10 3.48 0.06 6.67 1.02 -1.26 -4.84 120.64 121.67 1ujr n GLU 85 Ca -0.17 -4.49 0.19 0.00 -0.02 0.00 0.00 57.16 52.67 1ujr n GLU 85 Cb 0.82 -2.51 0.72 0.00 -0.02 0.00 0.00 31.44 30.45 1ujr n GLU 85 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ujr h HIS 86 N 6.24 0.00 -0.46 -0.32 -0.00 -1.76 -1.90 115.15 116.94 1ujr h HIS 86 Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 1ujr h HIS 86 Cb 0.81 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.12 1ujr h HIS 86 CO 0.78 0.00 -0.32 0.78 -0.00 0.00 0.00 177.93 179.18 1ujr h GLY 87 N 0.00 -0.17 -6.52 5.26 0.00 -1.88 -3.37 103.07 96.38 1ujr h GLY 87 Ca 0.20 0.41 -0.57 0.00 0.00 0.00 0.00 47.33 47.37 1ujr h GLY 87 CO -0.00 -0.21 1.14 0.50 0.00 0.00 0.00 176.54 177.97 1ujr s ARG 88 N -6.01 3.60 0.30 4.80 0.52 -0.72 -4.94 118.95 116.50 1ujr s ARG 88 Ca -0.15 1.32 -0.12 0.00 -0.52 0.00 0.00 55.73 56.26 1ujr s ARG 88 Cb 0.14 -4.06 0.01 0.00 0.52 0.00 0.00 34.95 31.56 1ujr s ARG 88 CO 0.68 -1.53 0.56 -0.98 0.02 0.00 0.00 175.30 174.06 1ujr s ARG 89 N 4.99 1.78 0.25 3.54 1.70 -1.26 -0.19 118.95 129.76 1ujr s ARG 89 Ca 0.69 -1.36 -0.15 0.00 -0.47 0.00 0.00 55.73 54.44 1ujr s ARG 89 Cb -0.20 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1ujr s ARG 89 CO 0.31 -0.77 0.52 1.03 -1.08 0.00 0.00 175.30 175.32 1ujr s ARG 90 N -3.50 1.57 0.01 3.89 3.00 0.23 -4.95 118.95 119.19 1ujr s ARG 90 Ca 0.22 -1.16 -0.21 0.00 0.00 0.00 0.00 55.73 54.58 1ujr s ARG 90 Cb -0.02 0.50 -0.05 0.00 0.00 0.00 0.00 34.95 35.38 1ujr s ARG 90 CO 0.12 -0.67 0.62 0.15 0.00 0.00 0.00 175.30 175.52 1ujr s LYS 91 N -3.98 4.34 0.08 3.54 1.02 -1.26 0.15 119.74 123.63 1ujr s LYS 91 Ca 0.19 0.78 0.08 0.00 0.02 0.00 0.00 55.97 57.04 1ujr s LYS 91 Cb -0.02 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1ujr s LYS 91 CO 0.07 0.37 -0.21 0.96 -0.92 0.00 0.00 175.35 175.62 1ujr s ILE 92 N -0.23 1.75 -0.05 2.17 -4.36 0.85 0.10 121.20 121.43 1ujr s ILE 92 Ca 0.32 -1.41 -0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1ujr s ILE 92 Cb -0.19 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1ujr s ILE 92 CO 0.18 0.07 0.13 -1.59 0.24 0.00 0.00 174.94 173.98 1ujr s LYS 93 N -1.60 0.13 -0.41 0.37 -2.85 0.14 -4.32 119.74 111.21 1ujr s LYS 93 Ca 0.08 0.23 -0.18 0.00 -1.00 0.00 0.00 55.97 55.10 1ujr s LYS 93 Cb -0.09 0.00 0.01 0.00 -2.06 0.00 0.00 37.83 35.69 1ujr s LYS 93 CO 0.03 -0.06 0.46 0.50 0.10 0.00 0.00 175.35 176.39 1ujr s ARG 94 N 0.38 3.24 0.06 1.78 3.52 -1.26 0.29 118.95 126.95 1ujr s ARG 94 Ca -0.03 -0.60 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 1ujr s ARG 94 Cb -0.04 -3.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 1ujr s ARG 94 CO -0.02 -0.81 -0.23 0.34 -0.81 0.00 0.00 175.30 173.77 1ujr s ASP 95 N 1.82 2.80 0.05 -2.12 2.15 0.12 -4.97 116.67 116.53 1ujr s ASP 95 Ca 0.14 -0.59 -0.22 0.00 0.43 0.00 0.00 52.55 52.31 1ujr s ASP 95 Cb -0.16 -0.23 -0.06 0.00 -0.30 0.00 0.00 42.92 42.17 1ujr s ASP 95 CO 0.14 0.18 0.65 -0.63 -0.17 0.00 0.00 175.17 175.34 1ujr s ILE 96 N -0.87 4.75 -0.02 4.11 1.01 -1.26 0.25 121.20 129.17 1ujr s ILE 96 Ca 0.09 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 1ujr s ILE 96 Cb -0.09 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1ujr s ILE 96 CO 0.03 0.46 0.10 -0.63 0.00 0.00 0.00 174.94 174.90 1ujr s ILE 97 N -0.55 4.93 -0.92 2.92 -1.09 0.11 -4.53 121.20 122.07 1ujr s ILE 97 Ca 0.33 -0.29 -0.14 0.00 -2.23 0.00 0.00 60.65 58.31 1ujr s ILE 97 Cb -0.20 -3.25 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1ujr s ILE 97 CO 0.20 0.38 0.27 0.47 -1.23 0.00 0.00 174.94 175.03 1ujr n ASP 98 N 1.24 -1.33 -4.03 3.58 9.92 -1.26 0.30 116.55 124.98 1ujr n ASP 98 Ca -0.13 -0.88 -0.56 0.00 -0.53 0.00 0.00 54.79 52.68 1ujr n ASP 98 Cb 0.53 -1.07 -0.08 0.00 -0.64 0.00 0.00 41.12 39.86 1ujr n ASP 98 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ujr n ILE 99 N -3.62 0.00 -0.89 0.53 -0.00 -1.26 -4.12 119.36 110.00 1ujr n ILE 99 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.56 1ujr n ILE 99 Cb 0.42 -0.31 0.04 0.00 -0.00 0.00 0.00 39.64 39.79 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 2.84 -0.82 0.09 6.28 -0.04 -1.26 -4.91 135.00 137.18 1ujr n PRO 100 Ca 0.24 -0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1ujr n PRO 100 Cb -0.02 -0.28 -0.08 0.00 -0.04 0.00 0.00 33.50 33.09 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 0.00 0.27 0.00 0.54 3.11 -1.94 -3.00 116.57 115.55 1ujr h LYS 101 Ca -0.08 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1ujr h LYS 101 Cb 0.23 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1ujr h LYS 101 CO 0.05 1.10 -0.01 0.36 -2.81 0.00 0.00 179.45 178.15 1ujr n LYS 102 N -3.61 0.08 0.40 1.90 2.85 -1.26 -3.82 118.16 114.70 1ujr n LYS 102 Ca -0.06 0.07 -0.16 0.00 -1.05 0.00 0.00 58.31 57.11 1ujr n LYS 102 Cb 0.91 -1.60 -0.08 0.00 -0.65 0.00 0.00 35.03 33.61 1ujr n LYS 102 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1ujr h GLY 103 N 4.85 -1.08 -3.69 2.58 0.00 -1.87 -3.43 103.07 100.42 1ujr h GLY 103 Ca 0.00 0.40 -0.53 0.00 0.00 0.00 0.00 47.33 47.20 1ujr h GLY 103 CO 0.00 -0.39 0.67 0.54 0.00 0.00 0.00 176.54 177.36 1ujr s VAL 104 N -4.94 2.47 0.32 4.60 0.11 -1.25 -5.00 120.40 116.71 1ujr s VAL 104 Ca -0.15 0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 59.16 1ujr s VAL 104 Cb 0.02 -3.28 0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1ujr s VAL 104 CO 0.45 0.09 0.74 -0.55 -3.33 0.00 0.00 175.10 172.51 1ujr s SER 105 N -0.50 -0.16 -0.34 3.54 0.15 -1.26 -5.00 113.70 110.14 1ujr s SER 105 Ca 0.54 -0.82 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 1ujr s SER 105 Cb -0.41 0.77 0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1ujr s SER 105 CO 0.54 -1.47 0.08 -0.83 1.20 0.00 0.00 173.24 172.75 1ujr s GLY 106 N -2.98 1.84 1.11 9.45 0.00 -1.26 -5.10 107.32 110.38 1ujr s GLY 106 Ca 0.13 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.66 1ujr s GLY 106 CO 0.09 0.81 1.23 2.56 0.00 0.00 0.00 173.10 177.79 1ujr s PRO 107 N 1.23 -0.54 0.25 2.90 0.04 -1.26 -5.10 135.00 132.52 1ujr s PRO 107 Ca -0.00 -0.35 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 1ujr s PRO 107 Cb -0.21 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ujr s PRO 107 CO -0.02 -3.21 0.42 -1.54 0.04 0.00 0.00 177.00 172.69 1ujr s SER 108 N -4.48 0.08 0.06 6.66 1.04 -1.26 -5.06 113.70 110.74 1ujr s SER 108 Ca 0.74 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1ujr s SER 108 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ujr s SER 108 CO 0.55 -1.11 0.00 -0.24 0.98 0.00 0.00 173.24 173.41 1ujr n SER 109 N -0.50 -0.53 -0.08 7.02 2.88 -1.26 -5.35 113.62 115.79 1ujr n SER 109 Ca -0.01 0.52 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1ujr n SER 109 Cb 0.63 0.90 0.01 0.00 -0.75 0.00 0.00 64.21 65.00 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42