#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 -0.50 0.08 3.54 0.15 -1.26 -5.18 113.70 110.54 1ujr s SER 2 Ca 0.00 0.72 -0.27 0.00 0.70 0.00 0.00 55.95 57.10 1ujr s SER 2 Cb 0.00 1.44 0.09 0.00 -1.71 0.00 0.00 66.02 65.84 1ujr s SER 2 CO 0.00 -0.11 1.05 -0.44 1.20 0.00 0.00 173.24 174.95 1ujr s SER 3 N 1.98 -0.16 0.00 5.45 0.01 -1.26 -5.18 113.70 114.54 1ujr s SER 3 Ca -0.05 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1ujr s SER 3 Cb -0.05 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1ujr s SER 3 CO -0.16 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1ujr n GLY 4 N -0.44 4.86 0.00 3.44 0.00 -1.26 -5.12 105.19 106.67 1ujr n GLY 4 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ujr n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujr n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.17 113.62 112.21 1ujr n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ujr n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ujr n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ujr n SER 6 N 0.00 0.00 -4.49 4.04 7.64 -1.26 -5.17 113.62 114.38 1ujr n SER 6 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1ujr n SER 6 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1ujr n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujr s GLY 7 N 0.00 1.70 0.11 0.23 0.00 -1.26 -5.14 107.32 102.97 1ujr s GLY 7 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.34 1ujr s GLY 7 CO 0.00 -1.40 0.17 -0.12 0.00 0.00 0.00 173.10 171.75 1ujr s PHE 8 N -1.30 3.33 -0.01 1.90 5.36 -1.26 -5.12 117.98 120.88 1ujr s PHE 8 Ca 0.19 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1ujr s PHE 8 Cb -0.10 -1.64 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 1ujr s PHE 8 CO 0.11 0.54 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.78 1ujr s LEU 9 N -2.80 2.00 -0.28 6.12 1.43 -1.26 -5.14 118.68 118.76 1ujr s LEU 9 Ca 0.32 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1ujr s LEU 9 Cb -0.12 -0.58 0.08 0.00 0.03 0.00 0.00 46.19 45.60 1ujr s LEU 9 CO 0.25 0.13 0.71 -0.62 0.23 0.00 0.00 176.35 177.06 1ujr s ASP 10 N -0.22 -0.86 0.14 2.29 2.15 -1.26 -5.17 116.67 113.73 1ujr s ASP 10 Ca 0.04 1.47 -0.25 0.00 0.43 0.00 0.00 52.55 54.24 1ujr s ASP 10 Cb -0.05 1.41 0.07 0.00 -0.30 0.00 0.00 42.92 44.05 1ujr s ASP 10 CO -0.00 -0.24 0.93 -0.54 -0.17 0.00 0.00 175.17 175.14 1ujr s LYS 11 N 1.16 1.17 -1.20 4.34 1.02 -1.26 -5.04 119.74 119.94 1ujr s LYS 11 Ca -0.06 -0.62 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 1ujr s LYS 11 Cb -0.05 0.42 -0.07 0.00 -0.52 0.00 0.00 37.83 37.61 1ujr s LYS 11 CO -0.12 -0.53 2.40 -0.35 -0.92 0.00 0.00 175.35 175.82 1ujr n PRO 12 N -0.43 2.66 -0.05 -1.68 -0.04 -1.26 -4.89 135.00 129.30 1ujr n PRO 12 Ca -0.07 -1.85 0.01 0.00 -0.04 0.00 0.00 63.50 61.55 1ujr n PRO 12 Cb 0.61 -2.69 -0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1ujr n PRO 12 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ujr n THR 13 N 4.25 0.00 -0.02 0.52 5.66 -1.26 -4.93 114.28 118.50 1ujr n THR 13 Ca 0.58 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.58 1ujr n THR 13 Cb 0.21 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1ujr n THR 13 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ujr n LEU 14 N 0.00 0.00 0.00 1.09 7.99 -1.26 -5.05 117.00 119.76 1ujr n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ujr n LEU 14 Cb 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1ujr n LEU 14 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1ujr n LEU 15 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -5.01 117.00 112.96 1ujr n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ujr n LEU 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ujr n LEU 15 CO 0.00 -0.26 0.00 -0.24 -0.00 0.00 0.00 177.39 176.89 1ujr n SER 16 N -3.82 0.00 0.03 1.45 2.88 -1.26 -4.97 113.62 107.93 1ujr n SER 16 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1ujr n SER 16 Cb 0.00 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.92 1ujr n SER 16 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ujr n PRO 17 N -0.11 0.06 0.05 -1.46 -0.04 -1.26 -2.27 135.00 129.96 1ujr n PRO 17 Ca 0.00 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1ujr n PRO 17 Cb 0.00 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.68 0.31 0.21 0.54 1.02 -1.26 -3.71 120.64 116.06 1ujr n GLU 18 Ca 0.05 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1ujr n GLU 18 Cb 0.27 -1.65 0.33 0.00 -0.02 0.00 0.00 31.44 30.38 1ujr n GLU 18 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ujr h GLU 19 N 0.00 0.00 -0.27 3.49 4.81 -1.83 -3.13 114.58 117.64 1ujr h GLU 19 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1ujr h GLU 19 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1ujr h GLU 19 CO 0.00 0.00 -0.51 1.25 -0.73 0.00 0.00 179.01 179.02 1ujr h LEU 20 N 0.00 0.92 -1.72 1.64 5.85 -1.67 -2.70 115.31 117.63 1ujr h LEU 20 Ca 0.00 -0.54 0.13 0.00 0.84 0.00 0.00 57.88 58.31 1ujr h LEU 20 Cb 0.82 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1ujr h LEU 20 CO 0.00 1.28 0.60 0.11 -0.34 0.00 0.00 178.44 180.10 1ujr h LYS 21 N 0.59 0.00 -1.86 1.25 6.56 -1.72 0.53 116.57 121.92 1ujr h LYS 21 Ca 0.01 0.00 0.54 0.00 -1.06 0.00 0.00 60.65 60.14 1ujr h LYS 21 Cb 1.12 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.71 1ujr h LYS 21 CO 0.11 0.00 1.37 0.00 -2.06 0.00 0.00 179.45 178.88 1ujr h ALA 22 N 1.22 3.76 0.46 3.86 0.00 -1.63 1.37 119.26 128.30 1ujr h ALA 22 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ujr h ALA 22 Cb 1.42 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ujr h ALA 22 CO -0.00 -2.33 -0.22 0.00 0.00 0.00 0.00 179.25 176.70 1ujr h ALA 23 N 1.00 -0.61 -0.22 0.00 0.00 -1.13 -2.06 119.26 116.24 1ujr h ALA 23 Ca 0.88 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 1ujr h ALA 23 Cb 3.61 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 21.64 1ujr h ALA 23 CO -0.01 -0.79 -0.06 0.77 0.00 0.00 0.00 179.25 179.16 1ujr h SER 24 N -0.72 0.43 -0.36 0.00 0.02 0.14 -2.52 113.55 110.55 1ujr h SER 24 Ca -0.06 -0.37 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1ujr h SER 24 Cb 0.52 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1ujr h SER 24 CO 0.10 0.71 0.61 0.03 -1.14 0.00 0.00 176.83 177.14 1ujr h ARG 25 N 0.16 0.00 -1.01 3.45 3.08 -0.57 -1.39 114.38 118.10 1ujr h ARG 25 Ca 0.05 0.00 0.41 0.00 0.07 0.00 0.00 59.98 60.51 1ujr h ARG 25 Cb 0.52 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.41 1ujr h ARG 25 CO 0.02 0.00 0.57 0.41 -1.07 0.00 0.00 179.97 179.90 1ujr n GLY 26 N -1.45 -0.72 0.47 0.04 0.00 -0.78 0.78 105.19 103.52 1ujr n GLY 26 Ca 0.07 0.75 -0.19 0.00 0.00 0.00 0.00 46.02 46.65 1ujr n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ujr h ASN 27 N 0.00 -1.05 0.00 1.61 2.35 -1.48 -3.48 115.58 113.52 1ujr h ASN 27 Ca 0.80 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.60 1ujr h ASN 27 Cb 2.22 0.29 0.00 0.00 0.05 0.00 0.00 38.32 40.89 1ujr h ASN 27 CO -0.67 -0.69 0.00 0.61 -1.65 0.00 0.00 177.43 175.03 1ujr n GLY 28 N -1.58 -2.05 0.48 2.83 0.00 0.23 -3.24 105.19 101.86 1ujr n GLY 28 Ca -0.15 0.68 0.06 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 -1.01 -1.42 1.61 -0.58 0.20 -4.64 120.64 114.81 1ujr n GLU 29 Ca 0.00 0.72 -0.41 0.00 -0.42 0.00 0.00 57.16 57.05 1ujr n GLU 29 Cb 0.00 -1.21 0.01 0.00 -0.57 0.00 0.00 31.44 29.67 1ujr n GLU 29 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1ujr n TYR 30 N -2.70 -0.96 -3.79 -0.32 0.18 -1.26 0.16 117.16 108.48 1ujr n TYR 30 Ca -0.01 0.56 -0.13 0.00 1.88 0.00 0.00 57.90 60.20 1ujr n TYR 30 Cb 0.22 -1.93 -0.14 0.00 -0.38 0.00 0.00 39.34 37.11 1ujr n TYR 30 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ujr s ALA 31 N -1.60 -0.20 -0.03 -3.48 0.00 0.13 -4.70 121.76 111.88 1ujr s ALA 31 Ca 0.63 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1ujr s ALA 31 Cb -0.56 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1ujr s ALA 31 CO 0.59 -0.11 0.49 -1.58 0.00 0.00 0.00 175.76 175.15 1ujr s TRP 32 N 0.73 3.66 -0.04 0.00 0.52 -1.26 0.16 118.94 122.70 1ujr s TRP 32 Ca -0.06 1.04 0.02 0.00 0.02 0.00 0.00 56.10 57.13 1ujr s TRP 32 Cb -0.08 -2.47 0.01 0.00 -1.15 0.00 0.00 33.47 29.78 1ujr s TRP 32 CO -0.03 0.42 -0.08 0.71 0.02 0.00 0.00 176.95 177.98 1ujr s TYR 33 N -0.34 1.01 0.04 -1.98 2.02 0.14 -3.13 117.35 115.10 1ujr s TYR 33 Ca 0.27 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 1ujr s TYR 33 Cb -0.17 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1ujr s TYR 33 CO 0.14 -0.17 -0.12 1.52 -1.57 0.00 0.00 175.55 175.36 1ujr s TYR 34 N 0.51 2.73 0.21 2.71 1.13 0.14 0.22 117.35 124.99 1ujr s TYR 34 Ca -0.08 -0.15 -0.32 0.00 -1.41 0.00 0.00 57.07 55.11 1ujr s TYR 34 Cb -0.12 -1.52 -0.14 0.00 -1.10 0.00 0.00 41.96 39.08 1ujr s TYR 34 CO 0.01 0.34 1.37 -1.91 -2.51 0.00 0.00 175.55 172.86 1ujr n GLU 35 N 1.36 1.83 -0.82 -3.49 2.13 0.12 -0.09 120.64 121.68 1ujr n GLU 35 Ca -0.15 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1ujr n GLU 35 Cb 0.52 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 2.29 5.10 0.10 8.31 0.00 0.11 -4.77 105.19 116.32 1ujr n GLY 36 Ca 0.13 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.12 -0.10 1.61 9.65 -1.97 -3.25 114.38 120.20 1ujr h ARG 37 Ca 0.00 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1ujr h ARG 37 Cb 0.00 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1ujr h ARG 37 CO 0.00 0.22 -0.02 -0.91 2.80 0.00 0.00 179.97 182.06 1ujr h ASN 38 N -0.48 0.19 0.00 -3.80 2.35 -1.99 -3.48 115.58 108.37 1ujr h ASN 38 Ca -0.01 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1ujr h ASN 38 Cb 0.40 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ujr h ASN 38 CO 0.02 0.50 0.00 0.61 -1.65 0.00 0.00 177.43 176.91 1ujr n GLY 39 N -0.16 -1.94 3.05 2.83 0.00 -1.23 -5.12 105.19 102.63 1ujr n GLY 39 Ca -0.06 0.64 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 1.60 0.13 1.61 0.52 -1.26 0.08 118.94 121.61 1ujr s TRP 40 Ca 0.00 -0.60 0.11 0.00 0.02 0.00 0.00 56.10 55.62 1ujr s TRP 40 Cb 0.00 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1ujr s TRP 40 CO 0.00 -0.29 -0.25 -1.58 0.02 0.00 0.00 176.95 174.84 1ujr s TRP 41 N 0.62 2.35 -0.06 -1.98 0.23 0.87 -4.85 118.94 116.12 1ujr s TRP 41 Ca -0.15 -0.36 -0.18 0.00 -2.03 0.00 0.00 56.10 53.39 1ujr s TRP 41 Cb -0.16 -1.27 -0.05 0.00 0.03 0.00 0.00 33.47 32.02 1ujr s TRP 41 CO 0.04 0.35 0.47 -1.14 0.96 0.00 0.00 176.95 177.64 1ujr s GLN 42 N -2.08 4.22 1.48 4.98 0.74 -1.26 0.23 119.66 127.97 1ujr s GLN 42 Ca 0.15 0.48 -0.24 0.00 0.05 0.00 0.00 55.36 55.80 1ujr s GLN 42 Cb -0.10 -3.36 0.38 0.00 1.10 0.00 0.00 33.01 31.04 1ujr s GLN 42 CO 0.07 0.36 0.89 0.71 -0.55 0.00 0.00 175.29 176.77 1ujr s TYR 43 N -0.04 -0.99 0.00 1.67 2.02 -1.18 -4.96 117.35 113.86 1ujr s TYR 43 Ca 0.26 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1ujr s TYR 43 Cb -0.16 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1ujr s TYR 43 CO 0.12 -5.25 0.42 -3.47 -1.57 0.00 0.00 175.55 165.80 1ujr n ASP 44 N -5.83 0.00 0.03 2.29 -0.08 -1.26 -5.02 116.55 106.68 1ujr n ASP 44 Ca 0.14 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1ujr n ASP 44 Cb 0.61 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ujr n GLU 45 N -1.12 0.00 0.35 -0.67 2.13 -1.26 -4.99 120.64 115.08 1ujr n GLU 45 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 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 -0.09 -0.41 0.00 0.00 177.13 176.63 1ujr h ARG 46 N 0.00 -0.85 -1.64 5.31 2.43 -1.99 -1.31 114.38 116.32 1ujr h ARG 46 Ca 0.00 0.06 0.51 0.00 -0.81 0.00 0.00 59.98 59.73 1ujr h ARG 46 Cb 0.00 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.64 1ujr h ARG 46 CO 0.00 -0.54 1.13 1.15 -1.51 0.00 0.00 179.97 180.20 1ujr h THR 47 N -0.98 0.06 0.08 0.20 2.02 -1.98 1.49 112.91 113.80 1ujr h THR 47 Ca -0.09 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 1ujr h THR 47 Cb 0.71 0.04 0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1ujr h THR 47 CO 0.15 0.00 -0.70 0.28 0.37 0.00 0.00 175.52 175.62 1ujr h SER 48 N 0.02 0.48 -1.58 4.18 0.02 -1.82 -3.14 113.55 111.70 1ujr h SER 48 Ca 0.88 -0.87 0.47 0.00 -0.84 0.00 0.00 61.79 61.42 1ujr h SER 48 Cb 3.19 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 65.50 1ujr h SER 48 CO -0.21 1.31 1.12 0.03 -1.14 0.00 0.00 176.83 177.93 1ujr h ARG 49 N -0.28 0.03 0.25 3.45 3.08 0.32 1.51 114.38 122.74 1ujr h ARG 49 Ca -0.11 -0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.60 1ujr h ARG 49 Cb 1.48 -0.01 0.04 0.00 0.08 0.00 0.00 29.97 31.56 1ujr h ARG 49 CO 0.13 0.02 -1.52 0.93 -1.07 0.00 0.00 179.97 178.46 1ujr h GLU 50 N 0.03 0.52 0.29 0.04 4.39 -1.48 -3.07 114.58 115.30 1ujr h GLU 50 Ca 0.79 -0.89 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ujr h GLU 50 Cb 3.01 0.33 -0.00 0.00 -0.10 0.00 0.00 28.75 32.00 1ujr h GLU 50 CO -0.10 1.43 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.94 1ujr h LEU 51 N 0.14 -0.42 -0.90 1.33 3.38 0.21 0.62 115.31 119.67 1ujr h LEU 51 Ca -0.27 0.02 0.25 0.00 0.09 0.00 0.00 57.88 57.97 1ujr h LEU 51 Cb 2.16 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 42.88 1ujr h LEU 51 CO 0.26 -0.26 0.18 1.05 0.09 0.00 0.00 178.44 179.76 1ujr h GLU 52 N -0.42 0.13 0.26 1.13 9.09 -1.23 0.77 114.58 124.31 1ujr h GLU 52 Ca -0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 1ujr h GLU 52 Cb 0.33 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1ujr h GLU 52 CO 0.04 0.09 -0.12 -0.44 0.05 0.00 0.00 179.01 178.63 1ujr h ASP 53 N 0.14 -0.30 0.33 3.06 3.32 -1.39 -0.87 116.42 120.71 1ujr h ASP 53 Ca 0.56 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 1ujr h ASP 53 Cb 1.16 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1ujr h ASP 53 CO -0.73 -0.15 -0.27 0.00 -1.72 0.00 0.00 179.24 176.37 1ujr h ALA 54 N 0.30 -1.01 -0.97 3.45 0.00 0.42 0.83 119.26 122.27 1ujr h ALA 54 Ca -0.04 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1ujr h ALA 54 Cb 0.32 0.47 -0.18 0.00 0.00 0.00 0.00 17.79 18.40 1ujr h ALA 54 CO 0.06 -1.02 -0.28 0.34 0.00 0.00 0.00 179.25 178.36 1ujr n PHE 55 N -4.00 0.27 0.32 0.00 7.35 0.23 0.11 117.46 121.74 1ujr n PHE 55 Ca -0.07 1.19 -0.13 0.00 -0.76 0.00 0.00 57.45 57.68 1ujr n PHE 55 Cb 0.26 -1.01 -0.06 0.00 0.35 0.00 0.00 39.48 39.01 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 -0.71 -0.95 -2.13 0.87 -0.82 -3.05 113.55 106.77 1ujr h SER 56 Ca 0.43 0.02 0.28 0.00 -1.23 0.00 0.00 61.79 61.30 1ujr h SER 56 Cb 0.68 0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 62.65 1ujr h SER 56 CO -0.99 -0.41 0.18 0.11 -0.53 0.00 0.00 176.83 175.18 1ujr h LYS 57 N -1.03 0.08 0.00 2.24 1.57 0.23 -3.44 116.57 116.22 1ujr h LYS 57 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ujr h LYS 57 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1ujr h LYS 57 CO 0.14 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 1ujr n GLY 58 N -1.42 1.27 3.58 3.86 0.00 0.30 -5.07 105.19 107.71 1ujr n GLY 58 Ca 0.25 0.00 -0.49 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 1.19 -0.08 1.61 5.02 -0.77 -4.90 118.16 120.24 1ujr n LYS 59 Ca 0.00 0.42 -0.14 0.00 -2.02 0.00 0.00 58.31 56.58 1ujr n LYS 59 Cb 0.00 -1.93 -0.11 0.00 -0.02 0.00 0.00 35.03 32.97 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 3.45 0.00 -6.38 1.97 6.56 -1.93 -3.37 116.57 116.86 1ujr h LYS 60 Ca -0.43 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.47 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 0.71 0.84 -0.76 0.54 -2.06 0.00 0.00 179.45 178.72 1ujr s ASN 61 N -6.26 4.16 0.25 0.86 2.20 -1.26 0.26 114.94 115.14 1ujr s ASN 61 Ca -0.19 -0.24 0.11 0.00 -0.94 0.00 0.00 52.86 51.60 1ujr s ASN 61 Cb -0.01 -0.86 -0.05 0.00 -2.00 0.00 0.00 41.25 38.34 1ujr s ASN 61 CO 0.57 0.30 -0.19 0.42 -2.94 0.00 0.00 177.10 175.26 1ujr s THR 62 N -0.86 2.28 0.13 0.54 -4.23 0.14 -4.93 115.64 108.72 1ujr s THR 62 Ca 0.14 -2.33 0.09 0.00 -1.18 0.00 0.00 61.69 58.41 1ujr s THR 62 Cb -0.11 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1ujr s THR 62 CO 0.04 -0.42 -0.16 -1.61 -0.54 0.00 0.00 174.62 171.92 1ujr s GLU 63 N -3.47 1.85 -0.29 3.99 2.02 -1.26 0.26 118.70 121.80 1ujr s GLU 63 Ca 0.27 -1.20 -0.10 0.00 0.02 0.00 0.00 54.97 53.96 1ujr s GLU 63 Cb -0.04 -2.13 0.12 0.00 0.10 0.00 0.00 34.13 32.19 1ujr s GLU 63 CO 0.13 0.47 0.64 0.00 0.02 0.00 0.00 175.26 176.52 1ujr s MET 64 N -2.30 0.58 -0.12 1.61 0.23 0.15 -4.91 119.30 114.54 1ujr s MET 64 Ca 0.20 1.42 -0.24 0.00 -1.03 0.00 0.00 55.69 56.04 1ujr s MET 64 Cb -0.10 0.80 -0.02 0.00 -1.53 0.00 0.00 34.83 33.97 1ujr s MET 64 CO 0.11 -0.20 0.78 -1.17 -2.03 0.00 0.00 175.02 172.51 1ujr s LEU 65 N 2.78 4.23 0.00 0.18 2.96 -1.26 0.09 118.68 127.66 1ujr s LEU 65 Ca -0.06 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1ujr s LEU 65 Cb -0.11 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1ujr s LEU 65 CO -0.19 -0.28 0.04 -0.38 -1.32 0.00 0.00 176.35 174.23 1ujr n ILE 66 N 4.34 0.00 -1.35 6.68 2.08 0.12 -4.95 119.36 126.28 1ujr n ILE 66 Ca 0.02 -2.19 -0.24 0.00 0.56 0.00 0.00 62.75 60.90 1ujr n ILE 66 Cb 0.50 0.39 -0.19 0.00 -0.75 0.00 0.00 39.64 39.58 1ujr n ILE 66 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ujr n ALA 67 N -1.56 0.85 -4.35 -1.39 0.00 -1.26 0.12 120.51 112.92 1ujr n ALA 67 Ca -0.19 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.28 1ujr n ALA 67 Cb 0.59 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.82 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 5.15 -0.22 3.28 0.00 0.00 -1.26 -4.90 105.19 107.24 1ujr n GLY 68 Ca 0.61 0.15 -0.01 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 -1.29 -0.05 1.61 0.08 0.12 -5.13 117.98 109.31 1ujr s PHE 69 Ca 0.26 1.74 -0.30 0.00 0.12 0.00 0.00 56.93 58.75 1ujr s PHE 69 Cb -0.15 0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 42.78 1ujr s PHE 69 CO 1.00 -0.73 1.12 -0.51 -0.10 0.00 0.00 175.22 176.00 1ujr s LEU 70 N 2.79 4.29 0.24 -0.37 1.02 -1.26 0.12 118.68 125.49 1ujr s LEU 70 Ca 0.08 1.74 0.10 0.00 0.02 0.00 0.00 54.13 56.07 1ujr s LEU 70 Cb -0.14 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 1ujr s LEU 70 CO -0.18 -0.50 -0.17 -0.31 0.02 0.00 0.00 176.35 175.21 1ujr s TYR 71 N 1.93 1.95 0.01 0.29 2.02 0.11 0.20 117.35 123.86 1ujr s TYR 71 Ca 0.54 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1ujr s TYR 71 Cb -0.23 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1ujr s TYR 71 CO 0.22 0.51 -0.03 0.14 -1.57 0.00 0.00 175.55 174.82 1ujr s VAL 72 N -2.78 0.18 -0.28 0.71 -7.23 0.14 0.34 120.40 111.48 1ujr s VAL 72 Ca 0.26 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1ujr s VAL 72 Cb -0.03 -0.23 0.05 0.00 0.56 0.00 0.00 36.38 36.74 1ujr s VAL 72 CO 0.10 -0.19 -0.05 0.00 -0.31 0.00 0.00 175.10 174.65 1ujr s ALA 73 N -0.67 2.70 -0.53 1.32 0.00 0.14 0.44 121.76 125.15 1ujr s ALA 73 Ca -0.06 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 49.98 1ujr s ALA 73 Cb -0.05 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.37 1ujr s ALA 73 CO -0.00 -1.17 0.70 0.34 0.00 0.00 0.00 175.76 175.62 1ujr s ASP 74 N 1.21 6.23 0.47 0.00 2.15 0.15 0.29 116.67 127.16 1ujr s ASP 74 Ca -0.06 -0.92 0.26 0.00 0.43 0.00 0.00 52.55 52.27 1ujr s ASP 74 Cb -0.19 -2.32 0.82 0.00 -0.30 0.00 0.00 42.92 40.92 1ujr s ASP 74 CO -0.03 -1.00 1.78 -0.07 -0.17 0.00 0.00 175.17 175.67 1ujr h LEU 75 N 10.01 0.00 -0.04 -1.34 3.38 -0.43 0.44 115.31 127.34 1ujr h LEU 75 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ujr h LEU 75 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1ujr h LEU 75 CO 1.01 0.09 -0.22 -0.33 0.09 0.00 0.00 178.44 179.09 1ujr h GLU 76 N 0.00 -0.31 -0.02 1.13 4.39 -1.88 -2.54 114.58 115.35 1ujr h GLU 76 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ujr h GLU 76 Cb 0.80 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1ujr h GLU 76 CO 0.01 -0.21 -0.35 0.09 -1.16 0.00 0.00 179.01 177.40 1ujr n ASN 77 N -5.34 2.23 -2.66 1.42 3.02 -1.22 -4.97 115.26 107.73 1ujr n ASN 77 Ca -0.04 -1.61 -0.13 0.00 -0.03 0.00 0.00 54.58 52.77 1ujr n ASN 77 Cb 0.26 0.36 0.06 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.31 -4.78 -3.73 3.52 2.81 0.42 -4.91 117.12 110.75 1ujr n MET 78 Ca 0.10 0.58 -0.13 0.00 -1.81 0.00 0.00 57.70 56.44 1ujr n MET 78 Cb 0.49 -4.82 -0.09 0.00 -0.71 0.00 0.00 33.22 28.08 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 -3.24 0.02 0.10 2.03 -7.23 0.13 0.12 120.40 112.33 1ujr s VAL 79 Ca 0.09 -0.19 0.08 0.00 -1.81 0.00 0.00 61.98 60.15 1ujr s VAL 79 Cb -0.04 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1ujr s VAL 79 CO 0.50 -0.11 -0.13 0.00 -0.31 0.00 0.00 175.10 175.05 1ujr s GLN 80 N -0.51 2.00 0.09 4.82 -2.07 0.12 0.30 119.66 124.41 1ujr s GLN 80 Ca -0.06 -1.08 -0.10 0.00 -1.82 0.00 0.00 55.36 52.30 1ujr s GLN 80 Cb -0.04 -2.23 0.01 0.00 -1.09 0.00 0.00 33.01 29.66 1ujr s GLN 80 CO 0.03 0.50 0.24 1.52 -1.32 0.00 0.00 175.29 176.25 1ujr s TYR 81 N -1.17 0.06 0.19 9.60 -0.85 0.17 0.30 117.35 125.65 1ujr s TYR 81 Ca 0.20 -0.44 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 1ujr s TYR 81 Cb -0.11 0.01 -0.09 0.00 0.38 0.00 0.00 41.96 42.16 1ujr s TYR 81 CO 0.12 -0.56 1.31 1.03 -1.52 0.00 0.00 175.55 175.92 1ujr s ARG 82 N -3.67 4.39 0.01 -3.49 0.52 0.12 0.28 118.95 117.11 1ujr s ARG 82 Ca 0.03 2.04 -0.05 0.00 -0.52 0.00 0.00 55.73 57.23 1ujr s ARG 82 Cb 0.04 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 1ujr s ARG 82 CO -0.10 -0.26 1.08 -0.09 0.02 0.00 0.00 175.30 175.95 1ujr h ARG 83 N 5.47 -0.16 0.32 3.54 2.43 -0.53 -2.43 114.38 123.01 1ujr h ARG 83 Ca -0.44 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1ujr h ARG 83 Cb 1.21 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1ujr h ARG 83 CO 0.78 -0.11 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.81 1ujr h ASN 84 N -0.17 -1.14 -3.24 -3.80 4.21 -1.93 -3.34 115.58 106.17 1ujr h ASN 84 Ca -0.01 0.11 -0.76 0.00 1.21 0.00 0.00 56.30 56.85 1ujr h ASN 84 Cb 0.14 0.40 -0.25 0.00 -1.12 0.00 0.00 38.32 37.48 1ujr h ASN 84 CO 0.00 -0.53 -0.21 -1.61 -1.29 0.00 0.00 177.43 173.79 1ujr s GLU 85 N -5.95 2.97 0.42 0.81 8.01 -1.22 -4.88 118.70 118.86 1ujr s GLU 85 Ca -0.17 -1.83 0.30 0.00 0.01 0.00 0.00 54.97 53.28 1ujr s GLU 85 Cb 0.06 -4.24 1.43 0.00 -4.31 0.00 0.00 34.13 27.07 1ujr s GLU 85 CO 0.63 -1.30 1.89 1.12 0.01 0.00 0.00 175.26 177.61 1ujr h HIS 86 N 8.64 0.00 0.10 1.61 2.07 -1.56 -3.01 115.15 123.00 1ujr h HIS 86 Ca -0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 1ujr h HIS 86 Cb 1.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 1ujr h HIS 86 CO 0.75 0.00 -0.19 0.78 -3.07 0.00 0.00 177.93 176.20 1ujr h GLY 87 N 1.04 -1.09 -6.52 6.13 0.00 -1.90 -3.40 103.07 97.33 1ujr h GLY 87 Ca 0.00 0.51 -0.60 0.00 0.00 0.00 0.00 47.33 47.24 1ujr h GLY 87 CO 0.00 -0.36 1.38 0.54 0.00 0.00 0.00 176.54 178.10 1ujr n ARG 88 N -3.52 1.99 -3.78 4.80 5.12 -1.19 -4.88 116.66 115.20 1ujr n ARG 88 Ca -0.04 0.62 -0.10 0.00 -1.93 0.00 0.00 57.85 56.40 1ujr n ARG 88 Cb 0.16 -2.98 -0.05 0.00 -1.16 0.00 0.00 32.46 28.43 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 5.69 1.27 0.11 5.56 1.04 -1.26 0.15 118.95 131.50 1ujr s ARG 89 Ca 0.99 -0.92 -0.25 0.00 -1.04 0.00 0.00 55.73 54.52 1ujr s ARG 89 Cb -0.50 0.47 0.07 0.00 -2.04 0.00 0.00 34.95 32.96 1ujr s ARG 89 CO 0.41 -0.51 0.61 1.03 -0.04 0.00 0.00 175.30 176.80 1ujr s ARG 90 N -3.89 1.22 0.60 3.89 3.00 0.15 -4.96 118.95 118.95 1ujr s ARG 90 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 55.73 55.38 1ujr s ARG 90 Cb 0.01 0.56 -0.04 0.00 0.00 0.00 0.00 34.95 35.48 1ujr s ARG 90 CO -0.04 -0.50 1.04 0.15 0.00 0.00 0.00 175.30 175.95 1ujr s LYS 91 N -3.13 3.40 0.02 3.54 1.02 -1.26 0.11 119.74 123.44 1ujr s LYS 91 Ca -0.02 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.06 1ujr s LYS 91 Cb -0.01 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1ujr s LYS 91 CO -0.07 -0.73 -0.08 0.96 -0.92 0.00 0.00 175.35 174.51 1ujr s ILE 92 N -2.66 0.59 -0.03 2.17 -4.36 0.12 0.11 121.20 117.14 1ujr s ILE 92 Ca 0.61 -0.65 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 1ujr s ILE 92 Cb -0.14 -0.56 0.01 0.00 1.25 0.00 0.00 42.46 43.02 1ujr s ILE 92 CO 0.40 -0.06 0.10 -1.59 0.24 0.00 0.00 174.94 174.04 1ujr s LYS 93 N -0.78 0.19 -0.41 0.37 -2.85 0.13 -4.66 119.74 111.74 1ujr s LYS 93 Ca -0.02 0.01 -0.09 0.00 -1.00 0.00 0.00 55.97 54.87 1ujr s LYS 93 Cb -0.06 0.09 0.07 0.00 -2.06 0.00 0.00 37.83 35.87 1ujr s LYS 93 CO 0.00 -0.03 0.24 0.50 0.10 0.00 0.00 175.35 176.16 1ujr s ARG 94 N -0.27 2.59 0.15 1.78 3.52 -1.26 0.24 118.95 125.69 1ujr s ARG 94 Ca -0.03 -1.43 0.02 0.00 -0.13 0.00 0.00 55.73 54.16 1ujr s ARG 94 Cb -0.02 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1ujr s ARG 94 CO 0.00 -0.92 0.20 -3.47 -0.81 0.00 0.00 175.30 170.31 1ujr n ASP 95 N 4.89 0.56 -4.09 -2.12 2.03 0.12 -4.85 116.55 113.10 1ujr n ASP 95 Ca -0.10 -1.39 -0.25 0.00 0.52 0.00 0.00 54.79 53.57 1ujr n ASP 95 Cb 0.43 -0.10 -0.16 0.00 -0.72 0.00 0.00 41.12 40.57 1ujr n ASP 95 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ujr s ILE 96 N 0.07 1.30 0.06 5.18 1.01 -1.26 0.19 121.20 127.74 1ujr s ILE 96 Ca 0.15 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1ujr s ILE 96 Cb -0.01 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1ujr s ILE 96 CO 0.10 0.38 0.08 -0.63 0.00 0.00 0.00 174.94 174.87 1ujr s ILE 97 N 0.28 4.61 0.00 2.92 -1.09 0.12 -4.89 121.20 123.16 1ujr s ILE 97 Ca -0.08 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 1ujr s ILE 97 Cb -0.13 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1ujr s ILE 97 CO 0.03 0.18 0.00 -0.67 -1.23 0.00 0.00 174.94 173.25 1ujr n ASP 98 N 0.62 0.00 -4.59 3.58 -0.08 -1.26 0.59 116.55 115.41 1ujr n ASP 98 Ca -0.09 0.00 -0.47 0.00 -1.51 0.00 0.00 54.79 52.72 1ujr n ASP 98 Cb 0.52 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.93 1ujr n ASP 98 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1ujr n ILE 99 N 0.00 0.41 -0.98 5.18 -0.00 -1.20 -4.80 119.36 117.97 1ujr n ILE 99 Ca 0.00 -0.27 -0.29 0.00 -0.00 0.00 0.00 62.75 62.18 1ujr n ILE 99 Cb 0.00 -2.09 -0.02 0.00 -0.00 0.00 0.00 39.64 37.52 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 7.88 2.78 -0.05 6.28 -0.04 -1.26 -4.26 135.00 146.32 1ujr n PRO 100 Ca 0.30 -1.77 -0.05 0.00 -0.04 0.00 0.00 63.50 61.94 1ujr n PRO 100 Cb 0.34 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 1ujr n PRO 100 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ujr n LYS 101 N 3.93 0.29 0.12 0.54 0.00 -1.22 -4.29 118.16 117.53 1ujr n LYS 101 Ca 0.59 0.18 -0.06 0.00 0.00 0.00 0.00 58.31 59.02 1ujr n LYS 101 Cb 0.17 -1.08 -0.03 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.57 -0.37 -0.16 1.64 3.11 -2.00 -3.37 116.57 114.84 1ujr h LYS 102 Ca 0.00 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1ujr h LYS 102 Cb 0.51 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 1ujr h LYS 102 CO 0.00 -0.25 -0.09 0.41 -2.81 0.00 0.00 179.45 176.71 1ujr n GLY 103 N 0.77 -2.77 3.33 5.01 0.00 -1.26 -4.55 105.19 105.72 1ujr n GLY 103 Ca -0.05 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 1ujr n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujr s VAL 104 N -3.43 1.95 0.00 1.61 0.11 -1.26 -5.08 120.40 114.29 1ujr s VAL 104 Ca -0.02 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1ujr s VAL 104 Cb 0.02 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1ujr s VAL 104 CO 0.10 -0.03 0.00 -1.20 -3.33 0.00 0.00 175.10 170.64 1ujr n SER 105 N 0.92 0.00 0.00 3.54 7.64 -1.26 -3.45 113.62 121.01 1ujr n SER 105 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ujr n SER 105 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1ujr n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 106 N 0.00 -2.42 3.77 0.23 0.00 -1.26 -5.01 105.19 100.50 1ujr n GLY 106 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.35 -0.40 -0.17 1.61 0.04 -1.26 -5.07 135.00 126.41 1ujr s PRO 107 Ca 0.00 -0.30 -0.00 0.00 0.04 0.00 0.00 61.00 60.74 1ujr s PRO 107 Cb 0.00 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.87 1ujr s PRO 107 CO 0.00 -3.12 -0.06 0.45 0.04 0.00 0.00 177.00 174.31 1ujr s SER 108 N -4.45 2.84 0.00 6.66 0.15 -1.26 -5.10 113.70 112.55 1ujr s SER 108 Ca 0.73 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1ujr s SER 108 Cb -0.06 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1ujr s SER 108 CO 0.55 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.56 1ujr n SER 109 N 4.87 0.00 0.00 5.45 2.88 -1.26 -5.32 113.62 120.24 1ujr n SER 109 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1ujr n SER 109 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42