#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 -3.59 3.54 3.41 -1.26 -5.19 113.62 110.54 1ujr n SER 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ujr n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ujr n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujr s SER 3 N 0.00 -0.03 -0.13 4.04 0.01 -1.26 -5.19 113.70 111.14 1ujr s SER 3 Ca 0.00 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1ujr s SER 3 Cb 0.00 0.08 0.11 0.00 0.21 0.00 0.00 66.02 66.41 1ujr s SER 3 CO 0.00 -0.14 0.88 -0.83 0.41 0.00 0.00 173.24 173.56 1ujr s GLY 4 N -2.91 -0.38 0.00 3.44 0.00 -1.26 -5.18 107.32 101.03 1ujr s GLY 4 Ca 0.14 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1ujr s GLY 4 CO -0.05 1.08 0.00 1.44 0.00 0.00 0.00 173.10 175.57 1ujr n SER 5 N 0.95 0.00 -3.61 1.64 7.64 -1.26 -5.19 113.62 113.79 1ujr n SER 5 Ca -0.14 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.72 1ujr n SER 5 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.08 0.00 6.43 0.15 -1.26 -5.18 113.70 113.76 1ujr s SER 6 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ujr s SER 6 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1ujr s SER 6 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1ujr n GLY 7 N -0.16 4.22 3.64 9.45 0.00 -1.26 -5.17 105.19 115.91 1ujr n GLY 7 Ca -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.97 -0.33 -0.30 1.61 -0.71 -1.26 -5.16 117.98 110.86 1ujr s PHE 8 Ca 0.00 0.74 -0.17 0.00 -1.04 0.00 0.00 56.93 56.46 1ujr s PHE 8 Cb 0.00 0.34 0.20 0.00 -1.21 0.00 0.00 43.02 42.35 1ujr s PHE 8 CO 0.00 -0.16 1.23 -1.17 -1.34 0.00 0.00 175.22 173.77 1ujr s LEU 9 N 0.59 -0.14 0.23 -1.99 1.98 -1.26 -5.18 118.68 112.91 1ujr s LEU 9 Ca -0.01 0.21 -0.14 0.00 -2.89 0.00 0.00 54.13 51.31 1ujr s LEU 9 Cb -0.04 1.18 0.00 0.00 0.66 0.00 0.00 46.19 47.99 1ujr s LEU 9 CO -0.11 -0.03 0.48 -0.62 -1.89 0.00 0.00 176.35 174.18 1ujr s ASP 10 N 1.56 -0.12 -0.06 3.68 2.15 -1.26 -5.18 116.67 117.44 1ujr s ASP 10 Ca -0.05 -0.83 -0.24 0.00 0.43 0.00 0.00 52.55 51.86 1ujr s ASP 10 Cb -0.02 0.58 0.05 0.00 -0.30 0.00 0.00 42.92 43.23 1ujr s ASP 10 CO -0.13 -1.12 0.55 -1.59 -0.17 0.00 0.00 175.17 172.70 1ujr s LYS 11 N -3.98 0.88 0.77 4.34 -2.85 -1.26 -5.17 119.74 112.47 1ujr s LYS 11 Ca 0.19 0.18 -0.11 0.00 -1.00 0.00 0.00 55.97 55.23 1ujr s LYS 11 Cb -0.01 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.23 1ujr s LYS 11 CO 0.06 -0.25 1.09 -1.25 0.10 0.00 0.00 175.35 175.10 1ujr s PRO 12 N -1.04 2.29 0.10 1.78 0.04 -1.26 -5.09 135.00 131.82 1ujr s PRO 12 Ca -0.10 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 1ujr s PRO 12 Cb -0.02 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1ujr s PRO 12 CO 0.07 -1.49 0.24 0.99 0.04 0.00 0.00 177.00 176.85 1ujr s THR 13 N -3.13 0.12 0.18 1.26 2.01 -1.26 -5.18 115.64 109.64 1ujr s THR 13 Ca 0.60 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1ujr s THR 13 Cb -0.14 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1ujr s THR 13 CO 0.54 -0.56 0.21 -1.48 -0.69 0.00 0.00 174.62 172.65 1ujr s LEU 14 N -2.86 1.12 1.02 4.42 -0.00 -1.26 -5.15 118.68 115.98 1ujr s LEU 14 Ca 0.05 -1.12 -0.18 0.00 -0.00 0.00 0.00 54.13 52.88 1ujr s LEU 14 Cb 0.04 0.82 -0.03 0.00 -0.00 0.00 0.00 46.19 47.02 1ujr s LEU 14 CO -0.11 -0.88 -0.38 0.00 -0.00 0.00 0.00 176.35 174.99 1ujr n LEU 15 N -0.23 -2.72 -4.99 1.48 -0.00 -1.26 -4.99 117.00 104.29 1ujr n LEU 15 Ca -0.03 0.11 -0.19 0.00 -0.00 0.00 0.00 56.01 55.89 1ujr n LEU 15 Cb 0.64 -0.89 0.02 0.00 -0.00 0.00 0.00 43.42 43.18 1ujr n LEU 15 CO 0.28 -3.83 0.17 -0.44 -0.00 0.00 0.00 177.39 173.57 1ujr s SER 16 N -1.53 5.34 0.08 1.45 0.01 -1.26 -5.00 113.70 112.79 1ujr s SER 16 Ca 0.49 -0.64 0.23 0.00 1.31 0.00 0.00 55.95 57.33 1ujr s SER 16 Cb -0.12 -0.31 0.92 0.00 0.21 0.00 0.00 66.02 66.72 1ujr s SER 16 CO 0.70 -0.93 1.71 -0.81 0.41 0.00 0.00 173.24 174.33 1ujr n PRO 17 N -1.91 0.07 -0.07 12.44 -0.04 -1.26 -3.28 135.00 140.96 1ujr n PRO 17 Ca 0.09 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.52 1ujr n PRO 17 Cb 0.60 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.08 -0.89 0.54 4.39 -2.01 -3.38 114.58 113.32 1ujr h GLU 18 Ca 0.00 -0.13 0.19 0.00 0.34 0.00 0.00 59.36 59.76 1ujr h GLU 18 Cb 0.43 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 28.96 1ujr h GLU 18 CO 0.00 1.06 -0.15 0.93 -1.16 0.00 0.00 179.01 179.69 1ujr h GLU 19 N -0.73 0.01 -0.59 2.33 3.07 -1.95 0.60 114.58 117.33 1ujr h GLU 19 Ca -0.34 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.63 1ujr h GLU 19 Cb 1.47 -0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.27 1ujr h GLU 19 CO -0.12 0.01 -0.24 1.25 -1.40 0.00 0.00 179.01 178.52 1ujr h LEU 20 N 0.02 -0.84 -1.42 1.33 6.46 -1.73 0.80 115.31 119.92 1ujr h LEU 20 Ca 0.45 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.41 1ujr h LEU 20 Cb 0.76 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 1ujr h LEU 20 CO -0.88 -0.26 0.33 0.11 -0.62 0.00 0.00 178.44 177.12 1ujr h LYS 21 N -0.09 0.72 -1.00 1.25 6.56 -0.06 -1.00 116.57 122.95 1ujr h LYS 21 Ca 0.27 -0.05 0.22 0.00 -1.06 0.00 0.00 60.65 60.02 1ujr h LYS 21 Cb 0.51 -0.16 -0.10 0.00 -0.57 0.00 0.00 32.23 31.91 1ujr h LYS 21 CO -0.65 0.50 0.62 0.00 -2.06 0.00 0.00 179.45 177.86 1ujr h ALA 22 N 1.63 1.87 -0.03 3.86 0.00 0.25 0.97 119.26 127.82 1ujr h ALA 22 Ca 0.19 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1ujr h ALA 22 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ujr h ALA 22 CO -0.04 -0.26 -0.64 0.00 0.00 0.00 0.00 179.25 178.32 1ujr h ALA 23 N 1.65 0.89 0.00 0.00 0.00 -0.57 -2.18 119.26 119.06 1ujr h ALA 23 Ca 0.58 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ujr h ALA 23 Cb 1.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ujr h ALA 23 CO -0.35 0.77 -0.05 1.03 0.00 0.00 0.00 179.25 180.65 1ujr h SER 24 N 0.07 0.00 0.56 0.00 0.87 0.12 -0.75 113.55 114.42 1ujr h SER 24 Ca -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1ujr h SER 24 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1ujr h SER 24 CO 0.09 0.05 -1.52 0.54 -0.53 0.00 0.00 176.83 175.46 1ujr n ARG 25 N -3.76 0.63 0.00 2.24 5.12 -0.71 -3.88 116.66 116.30 1ujr n ARG 25 Ca -0.03 0.07 0.09 0.00 -1.93 0.00 0.00 57.85 56.05 1ujr n ARG 25 Cb 0.14 -1.72 0.49 0.00 -1.16 0.00 0.00 32.46 30.22 1ujr n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujr n GLY 26 N 1.33 -0.61 0.18 -0.13 0.00 -0.30 -1.67 105.19 104.00 1ujr n GLY 26 Ca -0.08 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ujr n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujr n ASN 27 N -1.07 0.71 0.00 1.61 4.13 -1.16 -4.75 115.26 114.73 1ujr n ASN 27 Ca 0.12 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.60 1ujr n ASN 27 Cb 0.08 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujr n GLY 28 N 1.27 1.35 3.60 7.41 0.00 -0.67 -5.03 105.19 113.13 1ujr n GLY 28 Ca 0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1ujr n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ujr s GLU 29 N -1.50 0.37 1.10 1.61 1.03 0.23 -5.00 118.70 116.55 1ujr s GLU 29 Ca 0.00 0.04 -0.12 0.00 0.03 0.00 0.00 54.97 54.92 1ujr s GLU 29 Cb 0.00 0.18 0.25 0.00 -0.80 0.00 0.00 34.13 33.76 1ujr s GLU 29 CO 0.00 -0.13 1.06 1.52 -1.33 0.00 0.00 175.26 176.38 1ujr s TYR 30 N -1.37 1.38 -0.15 4.83 -0.85 -1.26 0.57 117.35 120.49 1ujr s TYR 30 Ca 0.04 1.38 -0.30 0.00 -0.52 0.00 0.00 57.07 57.67 1ujr s TYR 30 Cb -0.01 -3.17 0.11 0.00 0.38 0.00 0.00 41.96 39.28 1ujr s TYR 30 CO -0.03 -3.63 0.93 0.00 -1.52 0.00 0.00 175.55 171.30 1ujr s ALA 31 N -2.49 -1.90 0.05 9.51 0.00 0.18 -4.56 121.76 122.55 1ujr s ALA 31 Ca 0.68 1.56 0.01 0.00 0.00 0.00 0.00 51.96 54.21 1ujr s ALA 31 Cb -0.25 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1ujr s ALA 31 CO 0.63 -0.32 0.15 -1.58 0.00 0.00 0.00 175.76 174.65 1ujr s TRP 32 N -1.00 3.39 0.07 0.00 0.52 -1.26 -0.08 118.94 120.57 1ujr s TRP 32 Ca -0.03 0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.33 1ujr s TRP 32 Cb -0.01 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1ujr s TRP 32 CO 0.03 0.57 -0.13 0.71 0.02 0.00 0.00 176.95 178.15 1ujr s TYR 33 N -1.43 1.12 0.03 -1.98 1.51 0.15 -3.48 117.35 113.28 1ujr s TYR 33 Ca 0.31 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1ujr s TYR 33 Cb -0.13 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1ujr s TYR 33 CO 0.24 0.03 -0.08 1.52 -1.11 0.00 0.00 175.55 176.16 1ujr s TYR 34 N -1.29 0.65 0.11 2.71 1.13 0.89 0.20 117.35 121.75 1ujr s TYR 34 Ca -0.03 -0.38 -0.29 0.00 -1.41 0.00 0.00 57.07 54.96 1ujr s TYR 34 Cb -0.10 -0.40 -0.16 0.00 -1.10 0.00 0.00 41.96 40.20 1ujr s TYR 34 CO 0.02 -0.05 0.64 -1.91 -2.51 0.00 0.00 175.55 171.74 1ujr n GLU 35 N 1.89 0.00 -2.29 -3.49 2.13 0.11 -0.10 120.64 118.89 1ujr n GLU 35 Ca -0.20 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.59 1ujr n GLU 35 Cb 0.56 -1.05 -0.01 0.00 0.27 0.00 0.00 31.44 31.21 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 1.59 4.11 0.08 8.31 0.00 0.14 -4.45 105.19 114.97 1ujr n GLY 36 Ca 0.17 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 0.10 0.00 1.61 3.08 -1.95 -3.39 114.38 113.84 1ujr h ARG 37 Ca -0.05 -0.17 -0.42 0.00 0.07 0.00 0.00 59.98 59.41 1ujr h ARG 37 Cb 0.14 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1ujr h ARG 37 CO 0.07 0.97 -2.46 -1.71 -1.07 0.00 0.00 179.97 175.78 1ujr n ASN 38 N -3.35 1.92 0.00 7.04 2.85 -1.26 -5.07 115.26 117.39 1ujr n ASN 38 Ca -0.08 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1ujr n ASN 38 Cb 1.00 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.35 1ujr n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujr n GLY 39 N 1.62 0.58 3.29 8.20 0.00 -1.26 -5.13 105.19 112.49 1ujr n GLY 39 Ca -0.50 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 1.18 2.63 -0.07 1.61 0.52 -1.26 0.24 118.94 123.78 1ujr s TRP 40 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 56.10 55.30 1ujr s TRP 40 Cb 0.00 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1ujr s TRP 40 CO 0.00 -0.29 -0.05 -1.58 0.02 0.00 0.00 176.95 175.05 1ujr s TRP 41 N 0.22 3.00 0.33 -1.98 0.23 0.85 -4.79 118.94 116.80 1ujr s TRP 41 Ca -0.13 0.07 -0.06 0.00 -2.03 0.00 0.00 56.10 53.95 1ujr s TRP 41 Cb -0.16 -1.73 -0.05 0.00 0.03 0.00 0.00 33.47 31.56 1ujr s TRP 41 CO 0.07 0.37 0.62 -1.14 0.96 0.00 0.00 176.95 177.83 1ujr s GLN 42 N -0.85 3.64 0.68 4.98 0.74 -1.26 -0.08 119.66 127.51 1ujr s GLN 42 Ca 0.13 0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.51 1ujr s GLN 42 Cb -0.11 -2.57 0.16 0.00 1.10 0.00 0.00 33.01 31.59 1ujr s GLN 42 CO 0.02 0.12 0.88 0.66 -0.55 0.00 0.00 175.29 176.42 1ujr n TYR 43 N -1.20 -3.96 0.00 1.67 4.01 -1.23 -4.93 117.16 111.53 1ujr n TYR 43 Ca -0.01 -0.78 -0.01 0.00 -0.16 0.00 0.00 57.90 56.95 1ujr n TYR 43 Cb 0.54 -0.70 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.29 -0.04 0.00 7.72 3.32 -1.98 -3.49 116.42 120.67 1ujr h ASP 44 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1ujr h ASP 44 Cb 0.80 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1ujr h ASP 44 CO 0.20 0.12 0.00 1.21 -1.72 0.00 0.00 179.24 179.05 1ujr n GLU 45 N -2.95 0.00 -0.05 3.56 2.13 -1.26 -5.00 120.64 117.07 1ujr n GLU 45 Ca -0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1ujr n GLU 45 Cb 0.02 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 -0.09 -0.41 0.00 0.00 177.13 176.63 1ujr h ARG 46 N 0.00 -0.01 -1.05 5.31 9.65 -1.98 -2.20 114.38 124.10 1ujr h ARG 46 Ca 0.00 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 59.17 1ujr h ARG 46 Cb 0.00 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.46 1ujr h ARG 46 CO 0.00 0.59 0.64 1.15 2.80 0.00 0.00 179.97 185.15 1ujr h THR 47 N -0.99 0.43 -0.05 0.20 2.02 -1.97 0.41 112.91 112.97 1ujr h THR 47 Ca -0.00 -0.14 -0.19 0.00 0.77 0.00 0.00 66.41 66.85 1ujr h THR 47 Cb 0.61 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1ujr h THR 47 CO 0.00 0.07 -0.71 0.77 0.37 0.00 0.00 175.52 176.03 1ujr h SER 48 N 0.41 0.71 -0.23 4.18 4.64 -1.96 -2.78 113.55 118.52 1ujr h SER 48 Ca 0.67 -0.71 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1ujr h SER 48 Cb 1.56 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1ujr h SER 48 CO -0.44 1.31 0.34 0.03 -0.87 0.00 0.00 176.83 177.20 1ujr h ARG 49 N 0.16 0.00 0.00 4.77 2.47 0.42 0.86 114.38 123.06 1ujr h ARG 49 Ca -0.08 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1ujr h ARG 49 Cb 1.38 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1ujr h ARG 49 CO 0.14 0.00 -1.12 0.39 0.56 0.00 0.00 179.97 179.95 1ujr n GLU 50 N -3.50 0.61 0.05 0.04 -0.58 -0.39 -2.85 120.64 114.02 1ujr n GLU 50 Ca 0.03 0.12 -0.18 0.00 -0.42 0.00 0.00 57.16 56.72 1ujr n GLU 50 Cb 0.46 -1.81 -0.08 0.00 -0.57 0.00 0.00 31.44 29.44 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 0.00 0.80 0.16 -4.62 3.38 0.95 -2.73 115.31 113.25 1ujr h LEU 51 Ca -0.03 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1ujr h LEU 51 Cb 1.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ujr h LEU 51 CO 0.01 1.43 -0.08 -0.08 0.09 0.00 0.00 178.44 179.80 1ujr h GLU 52 N 0.36 -0.21 -0.73 1.13 4.22 -1.26 -0.95 114.58 117.14 1ujr h GLU 52 Ca -0.11 0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.50 1ujr h GLU 52 Cb 1.64 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.80 1ujr h GLU 52 CO 0.19 0.20 -0.15 -0.44 -2.18 0.00 0.00 179.01 176.63 1ujr h ASP 53 N -0.90 -0.61 0.10 1.04 3.32 -1.64 1.12 116.42 118.85 1ujr h ASP 53 Ca -0.02 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ujr h ASP 53 Cb 0.51 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ujr h ASP 53 CO 0.04 -0.23 -0.05 0.00 -1.72 0.00 0.00 179.24 177.28 1ujr h ALA 54 N 1.72 -0.87 -1.00 3.45 0.00 -1.55 0.90 119.26 121.92 1ujr h ALA 54 Ca 0.36 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.55 1ujr h ALA 54 Cb 0.57 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.23 1ujr h ALA 54 CO -0.73 -0.86 0.15 0.35 0.00 0.00 0.00 179.25 178.15 1ujr h PHE 55 N -0.16 0.15 0.18 0.00 3.57 -0.61 1.08 116.94 121.15 1ujr h PHE 55 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ujr h PHE 55 Cb 0.10 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ujr h PHE 55 CO 0.17 -0.45 -0.09 1.03 -2.23 0.00 0.00 178.31 176.75 1ujr h SER 56 N 0.01 -0.21 -0.97 0.41 0.87 0.13 -3.24 113.55 110.55 1ujr h SER 56 Ca 0.66 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 61.54 1ujr h SER 56 Cb 1.47 0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 63.31 1ujr h SER 56 CO -0.89 -0.06 0.26 0.11 -0.53 0.00 0.00 176.83 175.71 1ujr h LYS 57 N -0.41 0.06 0.00 2.24 1.57 0.20 -3.44 116.57 116.79 1ujr h LYS 57 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ujr h LYS 57 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ujr h LYS 57 CO 0.04 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 1ujr n GLY 58 N -1.39 0.96 3.61 3.86 0.00 0.35 -5.06 105.19 107.53 1ujr n GLY 58 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 2.10 -0.09 1.61 5.02 -0.09 -4.84 118.16 121.87 1ujr n LYS 59 Ca 0.00 0.62 -0.10 0.00 -2.02 0.00 0.00 58.31 56.81 1ujr n LYS 59 Cb 0.00 -3.17 -0.03 0.00 -0.02 0.00 0.00 35.03 31.81 1ujr n LYS 59 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1ujr h LYS 60 N 14.19 0.43 -6.41 1.97 2.10 -1.93 -3.17 116.57 123.73 1ujr h LYS 60 Ca -0.42 -0.08 -0.64 0.00 -2.00 0.00 0.00 60.65 57.51 1ujr h LYS 60 Cb 1.24 -0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 32.38 1ujr h LYS 60 CO 0.96 0.45 -0.69 -0.80 -2.00 0.00 0.00 179.45 177.37 1ujr s ASN 61 N -5.72 4.75 -0.05 7.07 -0.87 -1.26 0.15 114.94 119.01 1ujr s ASN 61 Ca -0.13 -0.31 -0.02 0.00 -1.57 0.00 0.00 52.86 50.83 1ujr s ASN 61 Cb 0.08 -1.03 0.03 0.00 -0.02 0.00 0.00 41.25 40.32 1ujr s ASN 61 CO 0.73 0.15 0.08 0.28 -2.57 0.00 0.00 177.10 175.77 1ujr s THR 62 N -1.40 -0.14 -0.10 1.60 -1.32 0.13 -4.96 115.64 109.45 1ujr s THR 62 Ca 0.25 0.41 -0.28 0.00 -1.21 0.00 0.00 61.69 60.86 1ujr s THR 62 Cb -0.11 -0.18 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 1ujr s THR 62 CO 0.17 0.17 0.92 -1.61 -2.21 0.00 0.00 174.62 172.06 1ujr s GLU 63 N 2.19 4.41 -0.08 7.08 8.01 -1.26 -0.01 118.70 139.04 1ujr s GLU 63 Ca 0.05 1.24 0.01 0.00 0.01 0.00 0.00 54.97 56.27 1ujr s GLU 63 Cb -0.12 -3.53 0.02 0.00 -4.31 0.00 0.00 34.13 26.19 1ujr s GLU 63 CO -0.04 -0.23 -0.08 0.00 0.01 0.00 0.00 175.26 174.92 1ujr s MET 64 N 1.74 1.39 -0.35 1.61 0.23 0.13 -4.97 119.30 119.09 1ujr s MET 64 Ca 0.45 -0.26 -0.23 0.00 -1.03 0.00 0.00 55.69 54.62 1ujr s MET 64 Cb -0.18 -1.33 0.01 0.00 -1.53 0.00 0.00 34.83 31.79 1ujr s MET 64 CO 0.18 -0.12 0.77 -1.17 -2.03 0.00 0.00 175.02 172.65 1ujr s LEU 65 N 1.17 4.13 0.58 0.18 2.96 -1.26 0.14 118.68 126.58 1ujr s LEU 65 Ca -0.06 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1ujr s LEU 65 Cb -0.14 -3.01 0.08 0.00 0.50 0.00 0.00 46.19 43.62 1ujr s LEU 65 CO -0.02 -0.68 0.80 -0.63 -1.32 0.00 0.00 176.35 174.50 1ujr s ILE 66 N 3.02 2.31 -0.99 6.68 -1.09 0.12 -4.90 121.20 126.35 1ujr s ILE 66 Ca 0.31 -0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 57.67 1ujr s ILE 66 Cb -0.14 -2.43 -0.29 0.00 -1.58 0.00 0.00 42.46 38.03 1ujr s ILE 66 CO 0.15 0.00 2.35 0.00 -1.23 0.00 0.00 174.94 176.21 1ujr n ALA 67 N -2.32 0.83 -4.07 9.38 0.00 -1.26 0.29 120.51 123.36 1ujr n ALA 67 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 1ujr n ALA 67 Cb 0.61 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 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 5.88 -0.27 3.15 0.00 0.00 -1.26 -4.93 105.19 107.76 1ujr n GLY 68 Ca 0.66 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.87 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 -3.83 -1.75 0.01 1.61 0.08 0.15 -5.13 117.98 109.12 1ujr s PHE 69 Ca 0.20 1.14 -0.30 0.00 0.12 0.00 0.00 56.93 58.09 1ujr s PHE 69 Cb -0.11 0.34 -0.06 0.00 -0.57 0.00 0.00 43.02 42.62 1ujr s PHE 69 CO 0.91 -1.01 1.47 -1.17 -0.10 0.00 0.00 175.22 175.32 1ujr s LEU 70 N 2.84 4.33 0.27 -0.37 0.20 -1.26 0.11 118.68 124.79 1ujr s LEU 70 Ca 0.12 2.20 0.08 0.00 0.69 0.00 0.00 54.13 57.22 1ujr s LEU 70 Cb -0.10 -3.56 -0.06 0.00 -0.43 0.00 0.00 46.19 42.04 1ujr s LEU 70 CO -0.25 -0.77 -0.09 -0.31 -0.29 0.00 0.00 176.35 174.64 1ujr s TYR 71 N 2.53 1.98 -0.11 5.38 2.02 0.12 0.14 117.35 129.41 1ujr s TYR 71 Ca 0.66 -0.63 -0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1ujr s TYR 71 Cb -0.33 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1ujr s TYR 71 CO 0.28 0.36 0.06 0.08 -1.57 0.00 0.00 175.55 174.76 1ujr s VAL 72 N -2.92 0.05 -0.34 0.71 1.01 0.15 0.17 120.40 119.23 1ujr s VAL 72 Ca 0.29 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1ujr s VAL 72 Cb 0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1ujr s VAL 72 CO 0.12 -0.03 0.63 0.00 0.00 0.00 0.00 175.10 175.82 1ujr s ALA 73 N 2.09 3.48 -0.44 5.51 0.00 0.98 0.01 121.76 133.39 1ujr s ALA 73 Ca 0.03 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 1ujr s ALA 73 Cb -0.14 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ujr s ALA 73 CO -0.06 -1.26 0.35 0.34 0.00 0.00 0.00 175.76 175.13 1ujr s ASP 74 N 1.75 6.13 0.26 0.00 -1.08 0.15 0.20 116.67 124.09 1ujr s ASP 74 Ca 0.24 -1.07 0.13 0.00 -0.52 0.00 0.00 52.55 51.33 1ujr s ASP 74 Cb -0.15 -2.17 0.24 0.00 -1.46 0.00 0.00 42.92 39.38 1ujr s ASP 74 CO 0.14 -0.54 1.53 -0.07 0.52 0.00 0.00 175.17 176.74 1ujr h LEU 75 N 8.71 0.00 -0.61 -1.34 3.38 -0.52 0.48 115.31 125.42 1ujr h LEU 75 Ca -0.28 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1ujr h LEU 75 Cb 1.12 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 1ujr h LEU 75 CO 0.80 0.64 0.05 -0.33 0.09 0.00 0.00 178.44 179.68 1ujr h GLU 76 N 0.00 0.16 -0.01 1.13 4.39 -1.91 -0.63 114.58 117.71 1ujr h GLU 76 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ujr h GLU 76 Cb 1.27 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1ujr h GLU 76 CO 0.08 0.11 -0.52 0.09 -1.16 0.00 0.00 179.01 177.61 1ujr n ASN 77 N -5.22 1.76 -2.47 1.42 4.13 -1.21 -4.97 115.26 108.69 1ujr n ASN 77 Ca 0.09 -1.38 -0.16 0.00 1.68 0.00 0.00 54.58 54.81 1ujr n ASN 77 Cb 0.34 0.56 0.05 0.00 -1.54 0.00 0.00 39.78 39.19 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1ujr n MET 78 N -0.28 -4.84 -3.84 3.52 1.56 0.27 -4.93 117.12 108.58 1ujr n MET 78 Ca 0.08 0.58 -0.12 0.00 -0.27 0.00 0.00 57.70 57.97 1ujr n MET 78 Cb 0.41 -4.83 -0.10 0.00 2.15 0.00 0.00 33.22 30.85 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 -3.15 0.06 -0.07 1.12 -7.23 0.14 0.06 120.40 111.34 1ujr s VAL 79 Ca 0.34 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 1ujr s VAL 79 Cb -0.15 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.34 1ujr s VAL 79 CO 0.43 -0.27 -0.13 0.00 -0.31 0.00 0.00 175.10 174.81 1ujr s GLN 80 N -1.02 2.71 0.06 4.82 -2.07 0.12 0.33 119.66 124.62 1ujr s GLN 80 Ca -0.11 -0.68 0.04 0.00 -1.82 0.00 0.00 55.36 52.79 1ujr s GLN 80 Cb -0.06 -2.45 -0.03 0.00 -1.09 0.00 0.00 33.01 29.38 1ujr s GLN 80 CO 0.02 0.54 -0.11 1.52 -1.32 0.00 0.00 175.29 175.94 1ujr s TYR 81 N -0.51 0.96 0.30 9.60 -0.85 0.10 0.27 117.35 127.22 1ujr s TYR 81 Ca 0.07 -0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 55.82 1ujr s TYR 81 Cb -0.12 -0.55 -0.11 0.00 0.38 0.00 0.00 41.96 41.56 1ujr s TYR 81 CO 0.02 -0.01 1.60 -2.13 -1.52 0.00 0.00 175.55 173.50 1ujr n ARG 82 N 1.26 2.73 0.09 -3.49 0.63 0.10 0.33 116.66 118.32 1ujr n ARG 82 Ca -0.21 0.97 -0.14 0.00 -0.92 0.00 0.00 57.85 57.55 1ujr n ARG 82 Cb 0.55 -2.76 -0.07 0.00 0.45 0.00 0.00 32.46 30.63 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 4.67 -0.60 0.00 -0.14 2.43 -0.55 -2.08 114.38 118.12 1ujr h ARG 83 Ca -0.47 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 1ujr h ARG 83 Cb 1.22 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1ujr h ARG 83 CO 0.78 -0.40 -0.24 -0.97 -1.51 0.00 0.00 179.97 177.63 1ujr h ASN 84 N -0.63 0.02 -1.59 -3.80 -1.24 -1.91 -3.38 115.58 103.05 1ujr h ASN 84 Ca 0.03 -0.91 -0.75 0.00 0.71 0.00 0.00 56.30 55.37 1ujr h ASN 84 Cb 0.67 -0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.56 1ujr h ASN 84 CO -0.27 1.10 1.85 1.21 -1.29 0.00 0.00 177.43 180.03 1ujr n GLU 85 N -4.56 3.56 -0.19 6.67 2.13 -1.21 -4.76 120.64 122.28 1ujr n GLU 85 Ca -0.14 -3.61 0.16 0.00 0.66 0.00 0.00 57.16 54.23 1ujr n GLU 85 Cb 0.53 -2.96 0.50 0.00 0.27 0.00 0.00 31.44 29.78 1ujr n GLU 85 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 1ujr h HIS 86 N 6.11 0.51 -0.53 4.31 2.07 -1.56 -1.10 115.15 124.96 1ujr h HIS 86 Ca 0.38 0.01 0.11 0.00 -2.85 0.00 0.00 60.37 58.02 1ujr h HIS 86 Cb 0.69 -0.16 -0.10 0.00 2.57 0.00 0.00 27.41 30.41 1ujr h HIS 86 CO 1.21 0.18 -0.17 0.78 -3.07 0.00 0.00 177.93 176.86 1ujr h GLY 87 N 0.43 0.29 -6.28 6.13 0.00 -1.86 -3.38 103.07 98.41 1ujr h GLY 87 Ca 0.39 0.22 -0.57 0.00 0.00 0.00 0.00 47.33 47.38 1ujr h GLY 87 CO -0.13 -0.21 1.08 0.50 0.00 0.00 0.00 176.54 177.78 1ujr s ARG 88 N -6.19 3.73 0.21 4.80 1.81 -0.43 -4.95 118.95 117.93 1ujr s ARG 88 Ca -0.14 1.35 -0.13 0.00 -1.72 0.00 0.00 55.73 55.08 1ujr s ARG 88 Cb 0.17 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.67 1ujr s ARG 88 CO 0.72 -1.36 0.44 -0.98 -0.68 0.00 0.00 175.30 173.43 1ujr s ARG 89 N 4.69 1.38 0.07 3.54 1.70 -1.26 0.03 118.95 129.10 1ujr s ARG 89 Ca 0.65 -1.10 -0.18 0.00 -0.47 0.00 0.00 55.73 54.63 1ujr s ARG 89 Cb -0.20 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1ujr s ARG 89 CO 0.29 -0.56 0.41 1.03 -1.08 0.00 0.00 175.30 175.39 1ujr s ARG 90 N -3.96 0.97 0.55 3.89 3.00 0.14 -4.97 118.95 118.59 1ujr s ARG 90 Ca 0.17 -0.47 -0.17 0.00 0.00 0.00 0.00 55.73 55.26 1ujr s ARG 90 Cb 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 34.95 35.33 1ujr s ARG 90 CO 0.03 -0.35 1.05 0.15 0.00 0.00 0.00 175.30 176.17 1ujr s LYS 91 N -2.90 3.51 0.08 3.54 -0.14 -1.26 0.10 119.74 122.68 1ujr s LYS 91 Ca -0.03 1.24 0.04 0.00 -1.36 0.00 0.00 55.97 55.86 1ujr s LYS 91 Cb 0.00 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 34.06 1ujr s LYS 91 CO -0.05 -0.66 -0.11 0.96 -0.76 0.00 0.00 175.35 174.73 1ujr s ILE 92 N -2.31 0.95 -0.21 2.17 -4.36 0.11 0.10 121.20 117.65 1ujr s ILE 92 Ca 0.65 -1.46 -0.16 0.00 -0.26 0.00 0.00 60.65 59.41 1ujr s ILE 92 Cb -0.16 -1.17 0.06 0.00 1.25 0.00 0.00 42.46 42.44 1ujr s ILE 92 CO 0.31 -0.43 0.54 -1.59 0.24 0.00 0.00 174.94 174.01 1ujr s LYS 93 N -2.30 0.59 -0.24 0.37 -2.85 0.13 -4.71 119.74 110.73 1ujr s LYS 93 Ca 0.01 0.87 -0.17 0.00 -1.00 0.00 0.00 55.97 55.68 1ujr s LYS 93 Cb -0.06 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1ujr s LYS 93 CO 0.01 -0.11 0.46 0.50 0.10 0.00 0.00 175.35 176.30 1ujr s ARG 94 N 0.88 4.10 0.35 1.78 3.52 -1.26 0.35 118.95 128.67 1ujr s ARG 94 Ca -0.05 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.84 1ujr s ARG 94 Cb -0.05 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1ujr s ARG 94 CO -0.07 -0.23 0.13 0.34 -0.81 0.00 0.00 175.30 174.65 1ujr s ASP 95 N 1.39 2.21 0.10 -2.12 -1.08 0.88 -4.99 116.67 113.07 1ujr s ASP 95 Ca 0.20 -1.58 0.02 0.00 -0.52 0.00 0.00 52.55 50.67 1ujr s ASP 95 Cb -0.15 0.35 -0.04 0.00 -1.46 0.00 0.00 42.92 41.62 1ujr s ASP 95 CO 0.09 -0.86 0.18 -0.63 0.52 0.00 0.00 175.17 174.48 1ujr s ILE 96 N -3.38 5.04 -0.06 4.11 -1.09 -1.26 0.48 121.20 125.03 1ujr s ILE 96 Ca 0.31 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 1ujr s ILE 96 Cb 0.05 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1ujr s ILE 96 CO 0.16 0.05 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.10 1ujr s ILE 97 N -1.56 2.66 -0.77 2.92 -1.09 0.19 -4.76 121.20 118.79 1ujr s ILE 97 Ca 0.33 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1ujr s ILE 97 Cb -0.12 -2.02 -0.01 0.00 -1.58 0.00 0.00 42.46 38.73 1ujr s ILE 97 CO 0.26 0.57 0.71 -0.67 -1.23 0.00 0.00 174.94 174.59 1ujr n ASP 98 N 2.66 -7.63 -1.28 3.58 2.03 -1.26 -0.60 116.55 114.06 1ujr n ASP 98 Ca -0.17 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 54.99 1ujr n ASP 98 Cb 0.52 -5.20 0.00 0.00 -0.72 0.00 0.00 41.12 35.72 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 -1.92 -4.26 -2.41 5.18 2.08 -1.26 -3.94 119.36 112.83 1ujr n ILE 99 Ca -0.01 1.82 -0.43 0.00 0.56 0.00 0.00 62.75 64.69 1ujr n ILE 99 Cb 0.52 -2.68 -0.02 0.00 -0.75 0.00 0.00 39.64 36.70 1ujr n ILE 99 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ujr s PRO 100 N -2.77 4.21 -0.22 0.38 0.04 -1.26 -4.54 135.00 130.84 1ujr s PRO 100 Ca 0.00 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 1ujr s PRO 100 Cb 0.00 -3.78 -0.09 0.00 0.04 0.00 0.00 34.50 30.67 1ujr s PRO 100 CO 0.00 -0.74 -0.29 0.36 0.04 0.00 0.00 177.00 176.37 1ujr n LYS 101 N 6.67 0.55 -0.08 4.56 2.85 -1.26 -4.45 118.16 127.00 1ujr n LYS 101 Ca 0.14 0.29 -0.22 0.00 -1.05 0.00 0.00 58.31 57.47 1ujr n LYS 101 Cb 0.45 -1.51 -0.12 0.00 -0.65 0.00 0.00 35.03 33.20 1ujr n LYS 101 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1ujr n LYS 102 N -4.38 0.61 -0.24 -1.58 2.85 -1.26 -4.43 118.16 109.72 1ujr n LYS 102 Ca -0.32 0.48 -0.06 0.00 -1.05 0.00 0.00 58.31 57.35 1ujr n LYS 102 Cb 0.67 -1.72 -0.06 0.00 -0.65 0.00 0.00 35.03 33.28 1ujr n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ujr n GLY 103 N 1.55 -2.42 3.51 2.58 0.00 -1.26 -3.32 105.19 105.84 1ujr n GLY 103 Ca -0.34 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1ujr n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujr s VAL 104 N -4.60 4.04 -0.07 1.61 1.01 -1.26 -4.95 120.40 116.18 1ujr s VAL 104 Ca -0.07 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1ujr s VAL 104 Cb 0.06 -4.77 0.06 0.00 0.00 0.00 0.00 36.38 31.73 1ujr s VAL 104 CO 0.35 -1.58 0.60 -0.55 0.00 0.00 0.00 175.10 173.92 1ujr s SER 105 N 3.55 -0.57 0.20 3.32 0.15 -1.21 -4.78 113.70 114.37 1ujr s SER 105 Ca 0.30 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.37 1ujr s SER 105 Cb -0.12 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1ujr s SER 105 CO 0.15 -0.52 0.84 -0.83 1.20 0.00 0.00 173.24 174.08 1ujr s GLY 106 N -0.98 2.98 0.39 9.45 0.00 -1.26 -5.07 107.32 112.83 1ujr s GLY 106 Ca -0.10 0.46 -0.07 0.00 0.00 0.00 0.00 44.72 45.02 1ujr s GLY 106 CO 0.07 0.98 0.42 -1.55 0.00 0.00 0.00 173.10 173.03 1ujr n PRO 107 N 1.48 -1.10 -3.64 2.90 -0.04 -1.26 -5.11 135.00 128.24 1ujr n PRO 107 Ca -0.04 -0.67 -0.03 0.00 -0.04 0.00 0.00 63.50 62.73 1ujr n PRO 107 Cb 0.48 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.39 1ujr n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujr s SER 108 N -2.62 -0.04 -0.02 3.54 0.15 -1.26 -5.17 113.70 108.28 1ujr s SER 108 Ca 0.26 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.94 1ujr s SER 108 Cb -0.02 0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1ujr s SER 108 CO 0.19 -0.06 -0.11 -0.44 1.20 0.00 0.00 173.24 174.02 1ujr s SER 109 N -1.94 1.38 0.00 5.45 0.01 -1.26 -5.35 113.70 111.98 1ujr s SER 109 Ca 0.11 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1ujr s SER 109 Cb -0.01 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1ujr s SER 109 CO -0.03 0.09 0.35 0.61 0.41 0.00 0.00 173.24 174.67