#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 -0.40 0.02 3.54 0.01 -1.26 -5.18 113.70 110.42 1ujr s SER 2 Ca 0.00 0.77 -0.29 0.00 1.31 0.00 0.00 55.95 57.74 1ujr s SER 2 Cb 0.00 0.80 0.10 0.00 0.21 0.00 0.00 66.02 67.13 1ujr s SER 2 CO 0.00 -0.13 1.02 -0.55 0.41 0.00 0.00 173.24 173.99 1ujr s SER 3 N 0.27 -0.22 0.00 2.44 0.15 -1.26 -5.12 113.70 109.96 1ujr s SER 3 Ca 0.03 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1ujr s SER 3 Cb -0.05 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ujr s SER 3 CO -0.08 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1ujr n GLY 4 N -0.33 0.64 3.58 9.45 0.00 -1.26 -5.05 105.19 112.22 1ujr n GLY 4 Ca -0.06 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.67 0.11 1.61 1.04 -1.26 -4.79 113.70 109.73 1ujr s SER 5 Ca 0.00 1.02 -0.26 0.00 0.48 0.00 0.00 55.95 57.19 1ujr s SER 5 Cb 0.00 0.94 0.08 0.00 0.10 0.00 0.00 66.02 67.13 1ujr s SER 5 CO 0.00 -0.42 0.92 -0.44 0.98 0.00 0.00 173.24 174.28 1ujr s SER 6 N -0.45 -0.25 -0.10 7.02 0.01 -1.26 -5.16 113.70 113.50 1ujr s SER 6 Ca -0.05 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1ujr s SER 6 Cb -0.02 0.46 0.05 0.00 0.21 0.00 0.00 66.02 66.72 1ujr s SER 6 CO 0.05 -0.82 0.21 -0.83 0.41 0.00 0.00 173.24 172.26 1ujr s GLY 7 N -2.79 -0.05 0.31 3.44 0.00 -1.26 -5.15 107.32 101.82 1ujr s GLY 7 Ca 0.09 0.79 -0.17 0.00 0.00 0.00 0.00 44.72 45.43 1ujr s GLY 7 CO -0.02 1.64 0.70 -1.36 0.00 0.00 0.00 173.10 174.06 1ujr s PHE 8 N 2.05 0.05 -0.01 1.90 0.08 -1.26 -5.10 117.98 115.69 1ujr s PHE 8 Ca -0.01 -0.55 -0.03 0.00 0.12 0.00 0.00 56.93 56.46 1ujr s PHE 8 Cb -0.12 0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 42.97 1ujr s PHE 8 CO -0.07 -1.31 -0.06 -0.11 -0.10 0.00 0.00 175.22 173.57 1ujr n LEU 9 N -0.48 0.58 -1.70 -0.37 7.94 -1.26 -5.13 117.00 116.58 1ujr n LEU 9 Ca -0.05 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1ujr n LEU 9 Cb 0.60 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1ujr n LEU 9 CO 0.20 -0.52 -0.45 -0.67 -1.11 0.00 0.00 177.39 174.84 1ujr n ASP 10 N -3.06 -8.89 -4.71 1.96 2.03 -1.26 -4.98 116.55 97.64 1ujr n ASP 10 Ca -0.02 1.26 -0.32 0.00 0.52 0.00 0.00 54.79 56.22 1ujr n ASP 10 Cb 0.08 -4.71 -0.08 0.00 -0.72 0.00 0.00 41.12 35.69 1ujr n ASP 10 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ujr s LYS 11 N -2.71 2.82 0.24 -0.67 -2.85 -1.26 -5.09 119.74 110.21 1ujr s LYS 11 Ca 0.00 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 1ujr s LYS 11 Cb 0.00 -2.69 -0.09 0.00 -2.06 0.00 0.00 37.83 32.99 1ujr s LYS 11 CO 0.00 0.61 1.10 -1.25 0.10 0.00 0.00 175.35 175.91 1ujr s PRO 12 N -1.76 4.63 0.18 1.78 0.04 -1.26 -5.05 135.00 133.57 1ujr s PRO 12 Ca 0.22 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ujr s PRO 12 Cb -0.12 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1ujr s PRO 12 CO 0.13 0.17 0.07 0.99 0.04 0.00 0.00 177.00 178.39 1ujr s THR 13 N -0.79 0.33 0.84 1.26 2.01 -1.26 -5.14 115.64 112.89 1ujr s THR 13 Ca 0.46 -1.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 1ujr s THR 13 Cb -0.31 -2.29 0.10 0.00 0.01 0.00 0.00 72.50 70.01 1ujr s THR 13 CO 0.38 -0.27 1.19 -0.76 -0.69 0.00 0.00 174.62 174.48 1ujr s LEU 14 N -3.16 3.06 1.02 4.42 1.43 -1.26 -4.92 118.68 119.26 1ujr s LEU 14 Ca 0.30 2.34 -0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1ujr s LEU 14 Cb 0.07 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 1ujr s LEU 14 CO 0.07 -2.82 -0.71 0.00 0.23 0.00 0.00 176.35 173.12 1ujr n LEU 15 N -3.57 -3.25 -4.50 1.79 -0.00 -1.26 -5.02 117.00 101.19 1ujr n LEU 15 Ca 0.13 0.07 -0.26 0.00 -0.00 0.00 0.00 56.01 55.96 1ujr n LEU 15 Cb 0.51 -0.78 -0.08 0.00 -0.00 0.00 0.00 43.42 43.07 1ujr n LEU 15 CO 0.48 -3.78 -0.18 -0.55 -0.00 0.00 0.00 177.39 173.37 1ujr s SER 16 N -1.34 2.76 0.18 1.45 0.15 -1.26 -5.03 113.70 110.61 1ujr s SER 16 Ca 0.45 -1.71 0.24 0.00 0.70 0.00 0.00 55.95 55.63 1ujr s SER 16 Cb -0.07 0.56 0.91 0.00 -1.71 0.00 0.00 66.02 65.71 1ujr s SER 16 CO 0.71 -0.97 1.73 -0.81 1.20 0.00 0.00 173.24 175.10 1ujr n PRO 17 N -0.91 0.17 0.09 5.44 -0.04 -1.26 -3.04 135.00 135.45 1ujr n PRO 17 Ca -0.05 0.27 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1ujr n PRO 17 Cb 0.64 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.42 -0.95 0.54 5.08 -2.00 -3.28 114.58 114.39 1ujr h GLU 18 Ca 0.00 -0.71 0.25 0.00 -1.00 0.00 0.00 59.36 57.89 1ujr h GLU 18 Cb 0.51 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1ujr h GLU 18 CO 0.00 1.34 0.65 1.49 -1.00 0.00 0.00 179.01 181.49 1ujr h GLU 19 N -0.10 0.23 0.24 2.33 4.81 -1.95 0.51 114.58 120.65 1ujr h GLU 19 Ca -0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1ujr h GLU 19 Cb 1.92 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.25 1ujr h GLU 19 CO 0.21 0.15 -0.14 1.25 -0.73 0.00 0.00 179.01 179.74 1ujr h LEU 20 N 0.24 -0.36 -2.40 1.64 6.46 -1.66 -0.89 115.31 118.33 1ujr h LEU 20 Ca 0.49 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.27 1ujr h LEU 20 Cb 1.50 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.54 1ujr h LEU 20 CO -0.13 -0.22 0.00 0.07 -0.62 0.00 0.00 178.44 177.54 1ujr h LYS 21 N -0.36 0.00 0.00 1.25 2.10 -1.47 0.11 116.57 118.20 1ujr h LYS 21 Ca -0.03 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 1ujr h LYS 21 Cb 0.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1ujr h LYS 21 CO 0.03 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.13 1ujr h ALA 22 N 2.01 1.21 -0.27 0.07 0.00 0.74 -2.79 119.26 120.24 1ujr h ALA 22 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ujr h ALA 22 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ujr h ALA 22 CO 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 1ujr h ALA 23 N 1.65 0.37 -1.55 0.00 0.00 0.59 -2.69 119.26 117.63 1ujr h ALA 23 Ca -0.00 -0.30 0.45 0.00 0.00 0.00 0.00 54.91 55.06 1ujr h ALA 23 Cb 0.71 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1ujr h ALA 23 CO 0.05 0.22 1.27 1.03 0.00 0.00 0.00 179.25 181.82 1ujr h SER 24 N 0.28 0.00 -1.82 0.00 0.87 -1.52 0.37 113.55 111.74 1ujr h SER 24 Ca 0.06 0.00 0.55 0.00 -1.23 0.00 0.00 61.79 61.17 1ujr h SER 24 Cb 0.60 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.47 1ujr h SER 24 CO 0.03 0.00 1.28 0.08 -0.53 0.00 0.00 176.83 177.69 1ujr h ARG 25 N 0.00 0.00 -0.09 2.24 0.11 -1.59 1.54 114.38 116.60 1ujr h ARG 25 Ca 0.74 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.84 1ujr h ARG 25 Cb 3.27 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 34.35 1ujr h ARG 25 CO -0.01 0.00 0.50 0.78 0.10 0.00 0.00 179.97 181.34 1ujr h GLY 26 N 0.00 0.00 1.78 0.08 0.00 -0.49 0.54 103.07 104.98 1ujr h GLY 26 Ca 0.92 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.25 1ujr h GLY 26 CO -0.14 0.00 0.09 3.43 0.00 0.00 0.00 176.54 179.93 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 4.21 0.20 -3.39 115.58 116.79 1ujr h ASN 27 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1ujr h ASN 27 Cb 1.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 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 -1.23 0.58 0.00 2.83 0.00 0.19 -4.85 105.19 102.71 1ujr n GLY 28 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.86 1.61 2.13 0.68 -4.79 120.64 116.40 1ujr n GLU 29 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1ujr n GLU 29 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 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 -1.84 2.69 -0.28 4.31 1.13 -1.26 0.60 117.35 122.71 1ujr s TYR 30 Ca 0.00 -0.49 -0.23 0.00 -1.41 0.00 0.00 57.07 54.94 1ujr s TYR 30 Cb 0.00 -1.99 0.09 0.00 -1.10 0.00 0.00 41.96 38.96 1ujr s TYR 30 CO 0.00 0.08 0.79 0.00 -2.51 0.00 0.00 175.55 173.91 1ujr s ALA 31 N -2.50 -1.86 0.41 9.51 0.00 0.12 -4.60 121.76 122.84 1ujr s ALA 31 Ca 0.43 2.09 0.01 0.00 0.00 0.00 0.00 51.96 54.50 1ujr s ALA 31 Cb -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1ujr s ALA 31 CO 0.25 -0.33 0.61 -1.58 0.00 0.00 0.00 175.76 174.71 1ujr s TRP 32 N 0.66 3.29 0.10 0.00 0.52 -1.26 0.13 118.94 122.38 1ujr s TRP 32 Ca -0.02 0.22 -0.06 0.00 0.02 0.00 0.00 56.10 56.26 1ujr s TRP 32 Cb -0.05 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 1ujr s TRP 32 CO -0.05 -0.18 0.13 0.71 0.02 0.00 0.00 176.95 177.58 1ujr s TYR 33 N -2.44 0.40 0.02 -1.98 1.51 0.13 -3.87 117.35 111.12 1ujr s TYR 33 Ca 0.45 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1ujr s TYR 33 Cb -0.10 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1ujr s TYR 33 CO 0.37 -0.54 -0.05 1.52 -1.11 0.00 0.00 175.55 175.74 1ujr s TYR 34 N -3.93 0.45 -0.43 2.71 -0.85 0.11 0.16 117.35 115.57 1ujr s TYR 34 Ca 0.11 -0.36 -0.35 0.00 -0.52 0.00 0.00 57.07 55.95 1ujr s TYR 34 Cb 0.06 -0.28 -0.12 0.00 0.38 0.00 0.00 41.96 41.99 1ujr s TYR 34 CO -0.07 -0.08 2.26 -1.91 -1.52 0.00 0.00 175.55 174.23 1ujr n GLU 35 N 2.01 0.90 -4.33 -3.49 4.07 0.11 0.18 120.64 120.09 1ujr n GLU 35 Ca -0.20 0.22 -0.30 0.00 -0.06 0.00 0.00 57.16 56.82 1ujr n GLU 35 Cb 0.56 -2.40 -0.04 0.00 -0.06 0.00 0.00 31.44 29.50 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 6.56 3.21 0.30 8.31 0.00 0.13 -4.77 105.19 118.93 1ujr n GLY 36 Ca 0.44 -2.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.55 -1.01 1.61 2.47 -1.96 -2.14 114.38 112.80 1ujr h ARG 37 Ca -0.39 0.04 0.15 0.00 -1.26 0.00 0.00 59.98 58.51 1ujr h ARG 37 Cb 1.28 0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 29.63 1ujr h ARG 37 CO 0.64 -0.37 0.63 -0.97 0.56 0.00 0.00 179.97 180.46 1ujr h ASN 38 N -0.57 0.88 0.00 7.04 -0.73 -1.98 -3.46 115.58 116.76 1ujr h ASN 38 Ca -0.03 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1ujr h ASN 38 Cb 0.51 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1ujr h ASN 38 CO -0.07 0.42 0.00 0.61 -0.37 0.00 0.00 177.43 178.02 1ujr n GLY 39 N -1.34 -0.94 2.71 1.57 0.00 -0.81 -5.09 105.19 101.30 1ujr n GLY 39 Ca 0.21 0.42 -0.26 0.00 0.00 0.00 0.00 46.02 46.38 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 0.74 0.06 1.61 0.52 -1.26 0.22 118.94 120.84 1ujr s TRP 40 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 56.10 55.48 1ujr s TRP 40 Cb 0.00 -0.90 -0.05 0.00 -1.15 0.00 0.00 33.47 31.37 1ujr s TRP 40 CO 0.00 -0.53 0.30 -1.58 0.02 0.00 0.00 176.95 175.16 1ujr s TRP 41 N 1.95 3.54 0.52 -1.98 0.52 0.13 -4.78 118.94 118.83 1ujr s TRP 41 Ca 0.01 0.53 -0.04 0.00 0.02 0.00 0.00 56.10 56.62 1ujr s TRP 41 Cb -0.16 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 1ujr s TRP 41 CO -0.08 0.55 0.80 -1.14 0.02 0.00 0.00 176.95 177.10 1ujr s GLN 42 N -2.17 3.17 0.12 4.98 0.74 -1.26 0.06 119.66 125.29 1ujr s GLN 42 Ca 0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.68 1ujr s GLN 42 Cb -0.13 -2.38 0.02 0.00 1.10 0.00 0.00 33.01 31.63 1ujr s GLN 42 CO 0.21 -0.42 0.16 0.66 -0.55 0.00 0.00 175.29 175.35 1ujr n TYR 43 N -2.34 -3.59 0.00 1.67 4.01 -1.25 -4.90 117.16 110.75 1ujr n TYR 43 Ca 0.02 -0.21 -0.01 0.00 -0.16 0.00 0.00 57.90 57.54 1ujr n TYR 43 Cb 0.57 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.15 -0.04 0.00 7.72 3.32 -1.99 -3.50 116.42 121.79 1ujr h ASP 44 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ujr h ASP 44 Cb 0.17 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ujr h ASP 44 CO 0.05 0.16 0.00 1.21 -1.72 0.00 0.00 179.24 178.94 1ujr n GLU 45 N -3.19 0.00 0.00 3.56 2.13 -1.26 -4.98 120.64 116.90 1ujr n GLU 45 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1ujr n GLU 45 Cb 0.02 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.64 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 -0.01 -0.76 5.31 3.08 -1.98 -1.69 114.38 118.34 1ujr h ARG 46 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1ujr h ARG 46 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 1ujr h ARG 46 CO 0.00 0.34 -0.37 1.15 -1.07 0.00 0.00 179.97 180.02 1ujr h THR 47 N -0.36 0.09 -0.14 2.04 2.02 -1.94 0.16 112.91 114.78 1ujr h THR 47 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ujr h THR 47 Cb 0.35 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1ujr h THR 47 CO 0.00 0.00 0.08 0.77 0.37 0.00 0.00 175.52 176.74 1ujr h SER 48 N -0.10 0.17 -1.07 4.18 4.64 -1.95 -1.21 113.55 118.21 1ujr h SER 48 Ca 0.27 -0.06 0.31 0.00 -0.47 0.00 0.00 61.79 61.84 1ujr h SER 48 Cb 0.57 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 1ujr h SER 48 CO -0.81 0.18 1.01 0.03 -0.87 0.00 0.00 176.83 176.37 1ujr h ARG 49 N 0.15 0.00 0.06 4.77 2.47 0.24 1.48 114.38 123.55 1ujr h ARG 49 Ca 0.05 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.43 1ujr h ARG 49 Cb 0.05 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1ujr h ARG 49 CO -0.01 0.00 -1.92 0.39 0.56 0.00 0.00 179.97 178.99 1ujr n GLU 50 N -3.63 0.70 0.06 0.04 -0.58 -0.57 -3.39 120.64 113.27 1ujr n GLU 50 Ca 0.23 0.26 -0.12 0.00 -0.42 0.00 0.00 57.16 57.11 1ujr n GLU 50 Cb 1.35 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 30.42 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 0.04 -0.10 0.85 -4.62 3.38 0.31 -0.65 115.31 114.52 1ujr h LEU 51 Ca -0.38 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1ujr h LEU 51 Cb 2.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1ujr h LEU 51 CO 0.07 -0.06 -0.49 -0.08 0.09 0.00 0.00 178.44 177.98 1ujr h GLU 52 N -0.08 -1.20 -0.87 1.13 4.81 -1.00 0.52 114.58 117.90 1ujr h GLU 52 Ca 0.01 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 1ujr h GLU 52 Cb 0.08 0.27 -0.14 0.00 0.63 0.00 0.00 28.75 29.59 1ujr h GLU 52 CO -0.02 -0.80 -0.38 -0.44 -0.73 0.00 0.00 179.01 176.65 1ujr h ASP 53 N -1.24 -1.38 0.49 1.04 5.19 -1.55 1.36 116.42 120.33 1ujr h ASP 53 Ca -0.11 0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1ujr h ASP 53 Cb 0.98 0.71 0.00 0.00 0.18 0.00 0.00 39.33 41.20 1ujr h ASP 53 CO 0.14 -0.29 -0.25 0.00 -3.12 0.00 0.00 179.24 175.71 1ujr h ALA 54 N 1.23 -1.16 -0.95 3.45 0.00 -0.89 1.34 119.26 122.28 1ujr h ALA 54 Ca 0.31 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.36 1ujr h ALA 54 Cb 0.58 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1ujr h ALA 54 CO -0.89 -1.12 0.24 0.35 0.00 0.00 0.00 179.25 177.83 1ujr h PHE 55 N -0.68 0.34 0.15 0.00 3.57 0.13 0.92 116.94 121.37 1ujr h PHE 55 Ca -0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ujr h PHE 55 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1ujr h PHE 55 CO 0.07 -0.34 -0.07 0.77 -2.23 0.00 0.00 178.31 176.51 1ujr h SER 56 N 0.11 -0.17 -1.16 0.41 0.02 0.20 -3.23 113.55 109.73 1ujr h SER 56 Ca 0.64 0.01 0.43 0.00 -0.84 0.00 0.00 61.79 62.03 1ujr h SER 56 Cb 1.41 0.04 -0.16 0.00 0.14 0.00 0.00 62.40 63.84 1ujr h SER 56 CO -0.77 -0.01 0.69 0.11 -1.14 0.00 0.00 176.83 175.71 1ujr h LYS 57 N -0.42 0.04 0.00 3.45 1.57 0.25 -3.44 116.57 118.03 1ujr h LYS 57 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ujr h LYS 57 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1ujr h LYS 57 CO 0.03 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 1ujr n GLY 58 N -1.37 1.35 3.61 3.86 0.00 0.31 -4.10 105.19 108.84 1ujr n GLY 58 Ca 0.38 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.15 1.51 -0.03 1.61 5.02 -0.39 -4.90 118.16 120.83 1ujr n LYS 59 Ca 0.00 0.54 -0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1ujr n LYS 59 Cb 0.00 -2.09 -0.09 0.00 -0.02 0.00 0.00 35.03 32.83 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 3.63 -0.05 -6.44 1.97 1.79 -1.93 -3.36 116.57 112.17 1ujr h LYS 60 Ca -0.44 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.36 1ujr h LYS 60 Cb 1.32 0.01 -0.19 0.00 -1.58 0.00 0.00 32.23 31.79 1ujr h LYS 60 CO 0.72 0.56 -0.75 0.54 -1.08 0.00 0.00 179.45 179.43 1ujr s ASN 61 N -5.85 4.27 0.24 0.86 2.20 -1.26 0.23 114.94 115.63 1ujr s ASN 61 Ca -0.13 -0.29 0.06 0.00 -0.94 0.00 0.00 52.86 51.56 1ujr s ASN 61 Cb -0.01 -0.86 -0.05 0.00 -2.00 0.00 0.00 41.25 38.32 1ujr s ASN 61 CO 0.49 0.26 -0.06 0.28 -2.94 0.00 0.00 177.10 175.13 1ujr s THR 62 N -1.00 1.45 0.08 0.54 -1.32 0.15 -4.93 115.64 110.61 1ujr s THR 62 Ca 0.17 -2.11 0.05 0.00 -1.21 0.00 0.00 61.69 58.59 1ujr s THR 62 Cb -0.11 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1ujr s THR 62 CO 0.07 -0.40 -0.04 -1.61 -2.21 0.00 0.00 174.62 170.43 1ujr s GLU 63 N -3.75 2.41 -0.23 7.08 2.02 -1.26 0.32 118.70 125.28 1ujr s GLU 63 Ca 0.27 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 54.29 1ujr s GLU 63 Cb 0.03 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 31.90 1ujr s GLU 63 CO 0.09 0.54 0.51 0.00 0.02 0.00 0.00 175.26 176.42 1ujr s MET 64 N -2.15 0.44 -0.63 1.61 0.23 0.12 -4.88 119.30 114.04 1ujr s MET 64 Ca 0.23 1.16 -0.24 0.00 -1.03 0.00 0.00 55.69 55.81 1ujr s MET 64 Cb -0.11 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1ujr s MET 64 CO 0.15 -0.22 1.03 -1.17 -2.03 0.00 0.00 175.02 172.78 1ujr s LEU 65 N 2.52 4.00 0.73 0.18 2.96 -1.26 0.03 118.68 127.85 1ujr s LEU 65 Ca -0.04 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1ujr s LEU 65 Cb -0.11 -2.64 0.12 0.00 0.50 0.00 0.00 46.19 44.06 1ujr s LEU 65 CO -0.15 -1.44 1.01 -0.63 -1.32 0.00 0.00 176.35 173.82 1ujr s ILE 66 N 4.38 2.18 -0.87 6.68 -1.09 0.15 -4.83 121.20 127.80 1ujr s ILE 66 Ca 0.29 -0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 1ujr s ILE 66 Cb -0.13 -2.67 -0.27 0.00 -1.58 0.00 0.00 42.46 37.80 1ujr s ILE 66 CO 0.15 0.00 1.98 0.00 -1.23 0.00 0.00 174.94 175.84 1ujr n ALA 67 N -2.90 0.83 -4.14 9.38 0.00 -1.26 0.34 120.51 122.76 1ujr n ALA 67 Ca 0.14 -0.61 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1ujr n ALA 67 Cb 0.60 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 4.98 -0.23 3.42 0.00 0.00 -1.26 -4.93 105.19 107.16 1ujr n GLY 68 Ca 0.59 0.19 0.01 0.00 0.00 0.00 0.00 46.02 46.81 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 -4.14 -1.36 -0.26 1.61 0.08 0.15 -5.12 117.98 108.94 1ujr s PHE 69 Ca 0.05 1.93 -0.29 0.00 0.12 0.00 0.00 56.93 58.73 1ujr s PHE 69 Cb -0.02 0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 43.08 1ujr s PHE 69 CO 0.95 -0.71 1.37 -1.17 -0.10 0.00 0.00 175.22 175.57 1ujr s LEU 70 N 2.85 3.92 0.36 -0.37 1.98 -1.26 0.34 118.68 126.50 1ujr s LEU 70 Ca 0.05 1.37 0.09 0.00 -2.89 0.00 0.00 54.13 52.74 1ujr s LEU 70 Cb -0.13 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.12 1ujr s LEU 70 CO -0.19 -1.08 -0.05 -0.31 -1.89 0.00 0.00 176.35 172.82 1ujr s TYR 71 N 4.45 2.45 0.00 5.38 2.02 0.11 -0.14 117.35 131.62 1ujr s TYR 71 Ca 0.60 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1ujr s TYR 71 Cb -0.19 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1ujr s TYR 71 CO 0.24 0.53 -0.02 0.14 -1.57 0.00 0.00 175.55 174.87 1ujr s VAL 72 N -2.62 0.11 -0.30 0.71 -7.23 0.15 0.13 120.40 111.35 1ujr s VAL 72 Ca 0.34 -0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1ujr s VAL 72 Cb 0.04 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.87 1ujr s VAL 72 CO 0.17 -0.04 0.07 0.00 -0.31 0.00 0.00 175.10 174.99 1ujr s ALA 73 N -0.22 3.02 -0.54 1.32 0.00 0.15 0.56 121.76 126.04 1ujr s ALA 73 Ca -0.02 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 1ujr s ALA 73 Cb -0.02 -2.11 0.09 0.00 0.00 0.00 0.00 23.12 21.08 1ujr s ALA 73 CO -0.00 -0.98 0.60 0.34 0.00 0.00 0.00 175.76 175.72 1ujr s ASP 74 N 1.46 6.19 0.51 0.00 2.15 0.15 0.30 116.67 127.43 1ujr s ASP 74 Ca 0.02 -1.31 0.30 0.00 0.43 0.00 0.00 52.55 51.99 1ujr s ASP 74 Cb -0.17 -2.27 0.99 0.00 -0.30 0.00 0.00 42.92 41.17 1ujr s ASP 74 CO 0.02 -0.94 1.85 -0.07 -0.17 0.00 0.00 175.17 175.86 1ujr h LEU 75 N 9.55 0.00 0.02 -1.34 3.38 -0.45 0.45 115.31 126.92 1ujr h LEU 75 Ca -0.29 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.71 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 1.02 0.00 -0.25 -0.33 0.09 0.00 0.00 178.44 178.97 1ujr h GLU 76 N 0.00 -0.38 -0.02 1.13 4.39 -1.89 -2.64 114.58 115.17 1ujr h GLU 76 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ujr h GLU 76 Cb 0.69 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1ujr h GLU 76 CO 0.00 -0.25 -0.38 0.09 -1.16 0.00 0.00 179.01 177.31 1ujr n ASN 77 N -5.37 2.14 -2.30 1.42 5.03 -1.21 -4.97 115.26 110.00 1ujr n ASN 77 Ca -0.05 -1.57 -0.12 0.00 0.87 0.00 0.00 54.58 53.71 1ujr n ASN 77 Cb 0.28 0.40 0.05 0.00 -1.02 0.00 0.00 39.78 39.48 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1ujr n MET 78 N 0.19 -4.14 -3.76 3.52 1.56 0.43 -4.92 117.12 110.00 1ujr n MET 78 Ca 0.10 0.47 -0.13 0.00 -0.27 0.00 0.00 57.70 57.87 1ujr n MET 78 Cb 0.47 -4.40 -0.10 0.00 2.15 0.00 0.00 33.22 31.34 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 -3.19 0.03 0.03 1.12 -7.23 0.13 0.04 120.40 111.32 1ujr s VAL 79 Ca 0.17 -0.24 0.05 0.00 -1.81 0.00 0.00 61.98 60.16 1ujr s VAL 79 Cb -0.08 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 1ujr s VAL 79 CO 0.41 -0.13 -0.13 0.00 -0.31 0.00 0.00 175.10 174.94 1ujr s GLN 80 N -0.57 2.28 0.08 4.82 -2.07 0.12 0.35 119.66 124.66 1ujr s GLN 80 Ca -0.07 -0.88 -0.06 0.00 -1.82 0.00 0.00 55.36 52.54 1ujr s GLN 80 Cb -0.04 -2.33 -0.02 0.00 -1.09 0.00 0.00 33.01 29.54 1ujr s GLN 80 CO 0.02 0.56 0.12 1.52 -1.32 0.00 0.00 175.29 176.19 1ujr s TYR 81 N -0.97 0.33 0.58 9.60 -0.85 0.19 0.47 117.35 126.69 1ujr s TYR 81 Ca 0.16 -0.79 -0.20 0.00 -0.52 0.00 0.00 57.07 55.71 1ujr s TYR 81 Cb -0.11 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.00 1ujr s TYR 81 CO 0.07 -0.50 1.32 1.03 -1.52 0.00 0.00 175.55 175.95 1ujr s ARG 82 N -3.90 2.98 0.00 -3.49 0.52 0.10 0.30 118.95 115.47 1ujr s ARG 82 Ca 0.07 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1ujr s ARG 82 Cb 0.06 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1ujr s ARG 82 CO -0.09 -1.29 0.65 0.54 0.02 0.00 0.00 175.30 175.13 1ujr n ARG 83 N -1.30 0.00 0.00 3.54 5.12 0.80 -3.78 116.66 121.04 1ujr n ARG 83 Ca 0.12 0.44 -0.11 0.00 -1.93 0.00 0.00 57.85 56.36 1ujr n ARG 83 Cb 0.46 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.52 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1ujr h ASN 84 N 0.00 -0.09 -0.10 0.55 -1.24 -1.93 -3.37 115.58 109.40 1ujr h ASN 84 Ca 0.00 -0.52 -0.37 0.00 0.71 0.00 0.00 56.30 56.12 1ujr h ASN 84 Cb 0.00 0.02 0.06 0.00 0.73 0.00 0.00 38.32 39.13 1ujr h ASN 84 CO 0.00 0.56 1.03 -0.62 -1.29 0.00 0.00 177.43 177.11 1ujr n GLU 85 N -4.82 0.53 0.25 6.67 4.71 -1.25 -4.61 120.64 122.11 1ujr n GLU 85 Ca -0.08 -1.60 0.14 0.00 -0.01 0.00 0.00 57.16 55.61 1ujr n GLU 85 Cb 0.30 -3.24 0.77 0.00 -1.01 0.00 0.00 31.44 28.26 1ujr n GLU 85 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ujr h HIS 86 N 10.16 0.00 0.33 -0.32 3.86 -1.74 -2.50 115.15 124.94 1ujr h HIS 86 Ca 0.20 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1ujr h HIS 86 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1ujr h HIS 86 CO 1.07 0.00 -0.16 0.78 0.86 0.00 0.00 177.93 180.48 1ujr h GLY 87 N 0.00 -0.46 -7.02 2.45 0.00 -1.87 -3.42 103.07 92.74 1ujr h GLY 87 Ca 0.00 0.17 -0.64 0.00 0.00 0.00 0.00 47.33 46.86 1ujr h GLY 87 CO 0.00 -0.17 1.46 0.54 0.00 0.00 0.00 176.54 178.37 1ujr n ARG 88 N -3.63 1.18 -3.70 4.80 1.74 -0.95 -4.89 116.66 111.21 1ujr n ARG 88 Ca -0.05 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1ujr n ARG 88 Cb 0.17 -2.61 -0.06 0.00 -1.02 0.00 0.00 32.46 28.94 1ujr n ARG 88 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ujr s ARG 89 N 6.45 0.96 0.02 5.56 1.70 -1.26 0.03 118.95 132.41 1ujr s ARG 89 Ca 1.08 -0.69 -0.24 0.00 -0.47 0.00 0.00 55.73 55.41 1ujr s ARG 89 Cb -0.75 0.42 0.05 0.00 -0.57 0.00 0.00 34.95 34.11 1ujr s ARG 89 CO 0.45 -0.35 0.54 1.03 -1.08 0.00 0.00 175.30 175.90 1ujr s ARG 90 N -3.48 1.01 0.57 3.89 1.81 0.18 -4.96 118.95 117.96 1ujr s ARG 90 Ca 0.01 -0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 53.74 1ujr s ARG 90 Cb 0.02 0.47 -0.05 0.00 -0.45 0.00 0.00 34.95 34.94 1ujr s ARG 90 CO -0.09 -0.35 1.09 0.15 -0.68 0.00 0.00 175.30 175.42 1ujr s LYS 91 N -2.05 3.32 0.10 3.54 1.02 -1.26 0.14 119.74 124.55 1ujr s LYS 91 Ca -0.07 1.41 0.04 0.00 0.02 0.00 0.00 55.97 57.37 1ujr s LYS 91 Cb -0.01 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1ujr s LYS 91 CO 0.02 -0.84 -0.11 0.96 -0.92 0.00 0.00 175.35 174.46 1ujr s ILE 92 N -2.11 0.99 0.12 2.17 -4.36 0.11 0.09 121.20 118.21 1ujr s ILE 92 Ca 0.68 -1.65 -0.09 0.00 -0.26 0.00 0.00 60.65 59.33 1ujr s ILE 92 Cb -0.20 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.12 1ujr s ILE 92 CO 0.31 -0.54 0.22 -1.59 0.24 0.00 0.00 174.94 173.58 1ujr s LYS 93 N -2.79 0.96 -0.24 0.37 -2.85 0.12 -4.70 119.74 110.62 1ujr s LYS 93 Ca 0.06 -1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 53.97 1ujr s LYS 93 Cb -0.03 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1ujr s LYS 93 CO 0.00 -0.33 -0.08 0.50 0.10 0.00 0.00 175.35 175.55 1ujr s ARG 94 N -3.90 2.78 0.27 1.78 3.52 -1.26 0.20 118.95 122.35 1ujr s ARG 94 Ca 0.10 -1.01 0.11 0.00 -0.13 0.00 0.00 55.73 54.81 1ujr s ARG 94 Cb 0.04 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1ujr s ARG 94 CO -0.07 -0.40 -0.14 0.34 -0.81 0.00 0.00 175.30 174.22 1ujr s ASP 95 N 1.30 3.89 -0.14 -2.12 -1.08 0.12 -5.00 116.67 113.64 1ujr s ASP 95 Ca -0.00 -0.91 -0.05 0.00 -0.52 0.00 0.00 52.55 51.07 1ujr s ASP 95 Cb -0.17 -0.47 -0.04 0.00 -1.46 0.00 0.00 42.92 40.78 1ujr s ASP 95 CO -0.05 0.03 0.05 -0.63 0.52 0.00 0.00 175.17 175.08 1ujr s ILE 96 N -2.44 4.68 -0.09 4.11 -1.09 -1.26 0.16 121.20 125.27 1ujr s ILE 96 Ca 0.30 -0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1ujr s ILE 96 Cb -0.05 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 1ujr s ILE 96 CO 0.16 0.54 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.77 1ujr s ILE 97 N -0.28 4.20 -1.37 2.92 -1.09 0.20 -4.57 121.20 121.21 1ujr s ILE 97 Ca 0.08 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.07 1ujr s ILE 97 Cb -0.12 -2.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.01 1ujr s ILE 97 CO 0.02 0.59 0.39 0.47 -1.23 0.00 0.00 174.94 175.17 1ujr n ASP 98 N 2.31 -1.65 -3.29 3.58 9.92 -1.26 -0.23 116.55 125.92 1ujr n ASP 98 Ca -0.18 -1.22 -0.47 0.00 -0.53 0.00 0.00 54.79 52.38 1ujr n ASP 98 Cb 0.53 -2.01 -0.07 0.00 -0.64 0.00 0.00 41.12 38.93 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 -4.70 0.00 -1.52 0.53 -0.00 -1.26 -3.89 119.36 108.52 1ujr n ILE 99 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.22 1ujr n ILE 99 Cb 0.64 -0.35 0.22 0.00 -0.00 0.00 0.00 39.64 40.14 1ujr n ILE 99 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ujr s PRO 100 N 2.44 -0.34 -0.25 6.28 0.04 -1.26 -4.98 135.00 136.93 1ujr s PRO 100 Ca 0.76 -0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.37 1ujr s PRO 100 Cb -1.06 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 31.64 1ujr s PRO 100 CO 0.56 -3.09 -0.26 1.17 0.04 0.00 0.00 177.00 175.42 1ujr n LYS 101 N -4.28 0.58 -0.05 4.56 0.00 -1.26 -4.29 118.16 113.41 1ujr n LYS 101 Ca 0.15 0.31 -0.14 0.00 0.00 0.00 0.00 58.31 58.62 1ujr n LYS 101 Cb 0.59 -1.53 -0.13 0.00 0.00 0.00 0.00 35.03 33.97 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 -1.00 0.04 -0.50 1.64 3.64 -2.02 -3.36 116.57 115.01 1ujr h LYS 102 Ca -0.55 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1ujr h LYS 102 Cb 1.47 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.25 1ujr h LYS 102 CO -0.33 0.97 -0.29 0.41 -2.27 0.00 0.00 179.45 177.93 1ujr n GLY 103 N 1.46 -2.46 3.62 5.01 0.00 -1.26 -4.33 105.19 107.23 1ujr n GLY 103 Ca -0.10 0.81 -0.52 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.14 0.07 -3.16 1.61 3.14 -1.26 -4.92 118.33 109.67 1ujr n VAL 104 Ca 0.01 -0.01 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 1ujr n VAL 104 Cb 0.13 -0.98 -0.04 0.00 -1.06 0.00 0.00 33.84 31.90 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 1.15 -0.03 0.14 6.55 0.15 -1.26 -4.95 113.70 115.44 1ujr s SER 105 Ca 0.87 0.04 0.04 0.00 0.70 0.00 0.00 55.95 57.60 1ujr s SER 105 Cb -0.95 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1ujr s SER 105 CO 0.50 -0.01 0.12 -0.83 1.20 0.00 0.00 173.24 174.22 1ujr s GLY 106 N 2.25 1.82 1.02 9.45 0.00 -1.26 -5.12 107.32 115.48 1ujr s GLY 106 Ca -0.02 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1ujr s GLY 106 CO -0.14 -1.15 1.19 2.56 0.00 0.00 0.00 173.10 175.57 1ujr s PRO 107 N -2.86 0.22 -0.07 2.90 0.04 -1.26 -5.05 135.00 128.91 1ujr s PRO 107 Ca 0.30 -0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.20 1ujr s PRO 107 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1ujr s PRO 107 CO 0.23 -2.75 -0.15 -1.13 0.04 0.00 0.00 177.00 173.24 1ujr n SER 108 N -4.08 0.84 -2.35 6.66 3.41 -1.26 -5.10 113.62 111.74 1ujr n SER 108 Ca 0.12 0.14 -0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1ujr n SER 108 Cb 0.59 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ujr n SER 108 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujr n SER 109 N -3.35 -8.19 0.00 4.04 2.88 -1.26 -5.24 113.62 102.50 1ujr n SER 109 Ca -0.06 1.77 0.00 0.00 -1.33 0.00 0.00 58.87 59.25 1ujr n SER 109 Cb 0.22 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 58.80 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42