#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 -0.16 -0.19 3.54 0.15 -1.26 -5.19 113.70 110.60 1ujr s SER 2 Ca 0.00 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 1ujr s SER 2 Cb 0.00 0.17 0.15 0.00 -1.71 0.00 0.00 66.02 64.63 1ujr s SER 2 CO 0.00 -0.28 1.13 -0.55 1.20 0.00 0.00 173.24 174.74 1ujr s SER 3 N -2.25 -0.24 0.39 5.45 0.15 -1.26 -5.19 113.70 110.75 1ujr s SER 3 Ca 0.09 0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.00 1ujr s SER 3 Cb -0.01 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1ujr s SER 3 CO -0.05 -0.25 0.15 -0.83 1.20 0.00 0.00 173.24 173.46 1ujr s GLY 4 N -1.30 2.51 0.00 9.45 0.00 -1.26 -5.13 107.32 111.60 1ujr s GLY 4 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1ujr s GLY 4 CO -0.03 -1.76 0.00 -1.14 0.00 0.00 0.00 173.10 170.17 1ujr n SER 5 N -1.29 0.00 -3.64 1.64 3.41 -1.26 -5.17 113.62 107.31 1ujr n SER 5 Ca -0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 1ujr n SER 5 Cb 0.65 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 1ujr n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ujr s SER 6 N 0.00 -0.25 0.00 4.04 0.15 -1.26 -5.13 113.70 111.25 1ujr s SER 6 Ca 0.00 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1ujr s SER 6 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1ujr s SER 6 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1ujr n GLY 7 N 1.70 0.25 2.42 9.45 0.00 -1.26 -5.10 105.19 112.65 1ujr n GLY 7 Ca -0.10 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1ujr n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujr n PHE 8 N 0.00 -3.39 -2.76 1.61 3.72 -1.26 -5.03 117.46 110.35 1ujr n PHE 8 Ca 0.00 2.01 -0.05 0.00 -0.05 0.00 0.00 57.45 59.36 1ujr n PHE 8 Cb 0.00 -3.06 0.02 0.00 -0.94 0.00 0.00 39.48 35.50 1ujr n PHE 8 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ujr n LEU 9 N 1.92 -3.36 -0.08 4.37 7.94 -1.26 -5.02 117.00 121.51 1ujr n LEU 9 Ca -0.10 -2.94 -0.08 0.00 -1.11 0.00 0.00 56.01 51.78 1ujr n LEU 9 Cb 0.16 0.77 -0.03 0.00 0.53 0.00 0.00 43.42 44.85 1ujr n LEU 9 CO 0.09 1.94 -0.61 0.47 -1.11 0.00 0.00 177.39 178.17 1ujr n ASP 10 N 2.76 1.79 -2.67 1.96 8.00 -1.26 -4.98 116.55 122.14 1ujr n ASP 10 Ca 0.17 0.30 -0.04 0.00 0.71 0.00 0.00 54.79 55.92 1ujr n ASP 10 Cb 0.57 -0.71 0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1ujr n ASP 10 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ujr n LYS 11 N -4.30 0.25 -1.28 -1.24 5.02 -1.26 -5.05 118.16 110.30 1ujr n LYS 11 Ca -0.13 -0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 54.91 1ujr n LYS 11 Cb 0.47 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 35.12 1ujr n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ujr n PRO 12 N 0.89 2.36 -4.03 1.97 -0.04 -1.26 -4.81 135.00 130.08 1ujr n PRO 12 Ca -0.02 -2.06 -0.19 0.00 -0.04 0.00 0.00 63.50 61.19 1ujr n PRO 12 Cb 0.73 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 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 5.02 0.00 -3.24 0.52 5.66 -1.26 -5.18 114.28 115.80 1ujr n THR 13 Ca 0.54 -2.14 0.00 0.00 -3.05 0.00 0.00 64.05 59.40 1ujr n THR 13 Cb 0.32 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 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 -4.49 1.09 7.99 -1.26 -5.16 117.00 115.17 1ujr n LEU 14 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.73 1ujr n LEU 14 Cb 0.54 0.00 0.25 0.00 -0.11 0.00 0.00 43.42 44.10 1ujr n LEU 14 CO 0.28 0.00 0.54 -0.76 -1.51 0.00 0.00 177.39 175.94 1ujr s LEU 15 N 0.00 0.18 0.46 2.23 1.43 -1.26 -5.03 118.68 116.69 1ujr s LEU 15 Ca 0.00 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1ujr s LEU 15 Cb 0.00 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1ujr s LEU 15 CO 0.00 -4.47 0.70 -0.44 0.23 0.00 0.00 176.35 172.37 1ujr s SER 16 N -3.45 5.87 0.17 2.29 0.01 -1.26 -4.98 113.70 112.34 1ujr s SER 16 Ca 0.69 0.40 0.24 0.00 1.31 0.00 0.00 55.95 58.60 1ujr s SER 16 Cb -0.13 -1.65 0.91 0.00 0.21 0.00 0.00 66.02 65.36 1ujr s SER 16 CO 0.58 -0.71 1.73 -0.81 0.41 0.00 0.00 173.24 174.44 1ujr n PRO 17 N -2.14 0.17 -0.04 12.44 -0.04 -1.26 -3.25 135.00 140.88 1ujr n PRO 17 Ca 0.01 0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.54 1ujr n PRO 17 Cb 0.57 -1.75 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.12 -0.72 0.54 5.08 -2.00 -3.31 114.58 114.29 1ujr h GLU 18 Ca 0.00 -0.21 0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1ujr h GLU 18 Cb 0.50 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1ujr h GLU 18 CO 0.00 1.10 0.84 0.93 -1.00 0.00 0.00 179.01 180.88 1ujr h GLU 19 N -0.68 0.00 0.01 2.33 3.07 -1.95 1.39 114.58 118.75 1ujr h GLU 19 Ca -0.22 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1ujr h GLU 19 Cb 1.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 1ujr h GLU 19 CO -0.02 0.00 -0.00 1.25 -1.40 0.00 0.00 179.01 178.84 1ujr h LEU 20 N 0.00 -0.01 -1.80 1.33 6.46 -1.66 -2.55 115.31 117.08 1ujr h LEU 20 Ca 0.34 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1ujr h LEU 20 Cb 2.01 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.94 1ujr h LEU 20 CO -0.00 -0.00 -0.07 0.07 -0.62 0.00 0.00 178.44 177.81 1ujr h LYS 21 N -0.01 0.03 -0.98 1.25 2.10 -1.31 -1.36 116.57 116.29 1ujr h LYS 21 Ca -0.00 -0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1ujr h LYS 21 Cb 0.01 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 1ujr h LYS 21 CO 0.00 0.11 0.61 0.00 -2.00 0.00 0.00 179.45 178.17 1ujr h ALA 22 N 1.90 1.49 -0.49 0.07 0.00 0.18 -0.50 119.26 121.90 1ujr h ALA 22 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ujr h ALA 22 Cb 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 1ujr h ALA 22 CO 0.01 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.27 1ujr h ALA 23 N 1.54 0.23 0.82 0.00 0.00 -0.79 -0.44 119.26 120.62 1ujr h ALA 23 Ca 0.49 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.55 1ujr h ALA 23 Cb 0.52 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ujr h ALA 23 CO -0.28 -0.50 -0.39 0.77 0.00 0.00 0.00 179.25 178.85 1ujr h SER 24 N -0.06 -0.93 -1.77 0.00 0.02 -1.23 -2.16 113.55 107.42 1ujr h SER 24 Ca 0.24 0.02 0.51 0.00 -0.84 0.00 0.00 61.79 61.72 1ujr h SER 24 Cb 0.43 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1ujr h SER 24 CO -0.54 -0.63 1.33 0.03 -1.14 0.00 0.00 176.83 175.87 1ujr h ARG 25 N -1.16 0.00 -0.51 3.45 3.08 -0.61 0.49 114.38 119.12 1ujr h ARG 25 Ca -0.11 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.04 1ujr h ARG 25 Cb 0.85 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.80 1ujr h ARG 25 CO 0.18 0.00 -0.14 0.78 -1.07 0.00 0.00 179.97 179.72 1ujr h GLY 26 N 0.00 0.34 -0.49 0.04 0.00 -0.41 0.59 103.07 103.14 1ujr h GLY 26 Ca 0.84 0.19 0.27 0.00 0.00 0.00 0.00 47.33 48.63 1ujr h GLY 26 CO -0.01 -0.20 0.98 3.43 0.00 0.00 0.00 176.54 180.74 1ujr h ASN 27 N -0.02 0.00 0.00 0.19 4.21 -0.13 -2.54 115.58 117.29 1ujr h ASN 27 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 1ujr h ASN 27 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1ujr h ASN 27 CO -0.54 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.21 1ujr n GLY 28 N -1.67 -2.68 0.00 2.83 0.00 0.21 -5.01 105.19 98.87 1ujr n GLY 28 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.35 0.00 -4.61 1.61 -0.58 0.11 -4.87 120.64 111.95 1ujr n GLU 29 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1ujr n GLU 29 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1ujr s TYR 30 N -0.23 1.93 -0.19 -0.32 1.13 -1.26 0.35 117.35 118.77 1ujr s TYR 30 Ca 0.00 -1.04 -0.28 0.00 -1.41 0.00 0.00 57.07 54.34 1ujr s TYR 30 Cb 0.00 -1.42 0.10 0.00 -1.10 0.00 0.00 41.96 39.54 1ujr s TYR 30 CO 0.00 0.03 0.85 0.00 -2.51 0.00 0.00 175.55 173.92 1ujr s ALA 31 N -3.04 -1.86 0.32 9.51 0.00 0.13 -4.41 121.76 122.41 1ujr s ALA 31 Ca 0.21 1.70 -0.08 0.00 0.00 0.00 0.00 51.96 53.79 1ujr s ALA 31 Cb 0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1ujr s ALA 31 CO 0.11 -0.32 0.63 -1.58 0.00 0.00 0.00 175.76 174.60 1ujr s TRP 32 N -0.42 3.46 -0.00 0.00 0.52 -1.26 0.27 118.94 121.51 1ujr s TRP 32 Ca -0.03 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.94 1ujr s TRP 32 Cb -0.03 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.03 1ujr s TRP 32 CO 0.02 0.10 0.00 0.71 0.02 0.00 0.00 176.95 177.80 1ujr s TYR 33 N -2.11 0.02 0.13 -1.98 2.02 0.14 -4.09 117.35 111.46 1ujr s TYR 33 Ca 0.47 0.01 0.10 0.00 -0.37 0.00 0.00 57.07 57.28 1ujr s TYR 33 Cb -0.11 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 1ujr s TYR 33 CO 0.28 -0.01 -0.21 1.52 -1.57 0.00 0.00 175.55 175.56 1ujr s TYR 34 N 0.08 2.45 -0.23 2.71 -0.85 0.11 0.25 117.35 121.87 1ujr s TYR 34 Ca -0.01 -0.31 -0.33 0.00 -0.52 0.00 0.00 57.07 55.90 1ujr s TYR 34 Cb -0.01 -1.30 -0.10 0.00 0.38 0.00 0.00 41.96 40.93 1ujr s TYR 34 CO -0.00 0.38 2.09 -1.91 -1.52 0.00 0.00 175.55 174.58 1ujr n GLU 35 N 0.80 1.67 -2.62 -3.49 2.13 0.14 -0.01 120.64 119.26 1ujr n GLU 35 Ca -0.16 0.52 -0.11 0.00 0.66 0.00 0.00 57.16 58.07 1ujr n GLU 35 Cb 0.53 -2.72 -0.01 0.00 0.27 0.00 0.00 31.44 29.52 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 5.59 3.27 0.34 8.31 0.00 0.13 -4.82 105.19 118.01 1ujr n GLY 36 Ca 0.32 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.64 0.47 1.61 1.12 -1.95 -3.10 114.38 111.89 1ujr h ARG 37 Ca -0.15 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1ujr h ARG 37 Cb 0.50 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 1ujr h ARG 37 CO 0.23 -0.43 -0.34 -0.91 -3.11 0.00 0.00 179.97 175.42 1ujr h ASN 38 N -0.66 -0.88 0.00 -3.80 2.35 -1.99 -3.47 115.58 107.13 1ujr h ASN 38 Ca -0.04 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ujr h ASN 38 Cb 0.58 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1ujr h ASN 38 CO -0.06 -0.51 0.00 0.61 -1.65 0.00 0.00 177.43 175.82 1ujr n GLY 39 N -1.46 -2.03 2.95 2.83 0.00 -1.17 -5.13 105.19 101.17 1ujr n GLY 39 Ca -0.11 0.61 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.93 0.69 0.21 1.61 0.52 -1.26 0.21 118.94 119.99 1ujr s TRP 40 Ca 0.00 -0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.04 1ujr s TRP 40 Cb 0.00 -0.53 -0.05 0.00 -1.15 0.00 0.00 33.47 31.74 1ujr s TRP 40 CO 0.00 -0.09 -0.14 -1.58 0.02 0.00 0.00 176.95 175.16 1ujr s TRP 41 N 0.34 1.71 0.26 -1.98 0.23 0.98 -4.75 118.94 115.73 1ujr s TRP 41 Ca -0.04 -0.59 -0.03 0.00 -2.03 0.00 0.00 56.10 53.41 1ujr s TRP 41 Cb -0.08 -0.81 -0.05 0.00 0.03 0.00 0.00 33.47 32.56 1ujr s TRP 41 CO 0.00 0.35 0.49 -1.14 0.96 0.00 0.00 176.95 177.61 1ujr s GLN 42 N -3.65 3.59 0.00 4.98 0.74 -1.26 0.09 119.66 124.14 1ujr s GLN 42 Ca 0.23 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1ujr s GLN 42 Cb -0.00 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.39 1ujr s GLN 42 CO 0.07 0.28 0.09 0.66 -0.55 0.00 0.00 175.29 175.85 1ujr n TYR 43 N -0.85 0.00 0.04 1.67 4.01 -1.26 -4.92 117.16 115.85 1ujr n TYR 43 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1ujr n TYR 43 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1ujr n TYR 43 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ujr n ASP 44 N -0.35 -0.66 0.00 7.72 -0.08 -1.26 -5.03 116.55 116.89 1ujr n ASP 44 Ca 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1ujr n ASP 44 Cb 0.00 0.85 0.00 0.00 2.34 0.00 0.00 41.12 44.31 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 -2.43 0.00 -0.02 -0.67 2.13 -1.26 -4.99 120.64 113.40 1ujr n GLU 45 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 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 0.00 -0.41 0.00 0.00 177.13 176.72 1ujr h ARG 46 N 0.00 0.41 0.24 5.31 3.08 -2.00 -2.90 114.38 118.52 1ujr h ARG 46 Ca 0.00 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1ujr h ARG 46 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ujr h ARG 46 CO 0.00 0.99 -0.11 1.15 -1.07 0.00 0.00 179.97 180.93 1ujr h THR 47 N -0.07 0.00 -0.89 2.04 2.02 -1.97 -3.27 112.91 110.77 1ujr h THR 47 Ca -0.03 -0.31 0.28 0.00 0.77 0.00 0.00 66.41 67.12 1ujr h THR 47 Cb 1.09 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.34 1ujr h THR 47 CO 0.09 0.00 0.15 -1.54 0.37 0.00 0.00 175.52 174.58 1ujr n SER 48 N -3.72 0.01 -0.66 4.18 3.41 -1.26 0.23 113.62 115.82 1ujr n SER 48 Ca -0.04 1.50 0.50 0.00 -0.26 0.00 0.00 58.87 60.58 1ujr n SER 48 Cb 0.13 -0.60 0.78 0.00 -0.26 0.00 0.00 64.21 64.25 1ujr n SER 48 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ujr n ARG 49 N -5.22 0.00 -0.05 4.33 5.12 -1.09 0.20 116.66 119.94 1ujr n ARG 49 Ca 0.24 1.06 -0.19 0.00 -1.93 0.00 0.00 57.85 57.04 1ujr n ARG 49 Cb 0.81 -2.48 -0.13 0.00 -1.16 0.00 0.00 32.46 29.50 1ujr n ARG 49 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ujr n GLU 50 N -3.83 0.71 -0.21 5.56 -0.58 0.62 -3.05 120.64 119.86 1ujr n GLU 50 Ca 0.42 0.21 0.01 0.00 -0.42 0.00 0.00 57.16 57.38 1ujr n GLU 50 Cb 1.95 -1.63 0.09 0.00 -0.57 0.00 0.00 31.44 31.28 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 -0.39 0.24 -4.62 4.07 0.25 0.56 115.31 115.47 1ujr h LEU 51 Ca -0.48 0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1ujr h LEU 51 Cb 2.00 0.32 0.00 0.00 1.08 0.00 0.00 40.66 44.05 1ujr h LEU 51 CO 0.02 -0.15 -0.12 -0.08 -1.08 0.00 0.00 178.44 177.03 1ujr h GLU 52 N 0.07 -0.32 -1.00 1.13 4.57 -1.28 1.00 114.58 118.76 1ujr h GLU 52 Ca 0.32 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.71 1ujr h GLU 52 Cb 0.52 0.07 -0.18 0.00 -0.16 0.00 0.00 28.75 29.00 1ujr h GLU 52 CO -0.58 -0.04 -0.30 -0.44 -1.18 0.00 0.00 179.01 176.47 1ujr h ASP 53 N -1.01 -1.12 0.42 1.04 3.32 -1.38 1.57 116.42 119.27 1ujr h ASP 53 Ca -0.03 0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1ujr h ASP 53 Cb 0.43 0.67 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1ujr h ASP 53 CO 0.06 -0.31 -0.20 0.00 -1.72 0.00 0.00 179.24 177.06 1ujr h ALA 54 N 1.77 -0.73 -1.14 3.45 0.00 0.04 0.62 119.26 123.27 1ujr h ALA 54 Ca 0.43 -0.12 0.42 0.00 0.00 0.00 0.00 54.91 55.64 1ujr h ALA 54 Cb 0.68 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 18.53 1ujr h ALA 54 CO -1.01 -0.69 0.67 0.35 0.00 0.00 0.00 179.25 178.56 1ujr h PHE 55 N -0.87 0.72 0.02 0.00 3.57 0.63 0.65 116.94 121.67 1ujr h PHE 55 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1ujr h PHE 55 Cb 0.44 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1ujr h PHE 55 CO 0.04 -0.35 -0.01 1.03 -2.23 0.00 0.00 178.31 176.79 1ujr h SER 56 N 0.06 -0.02 -1.32 0.41 0.87 0.23 -3.28 113.55 110.49 1ujr h SER 56 Ca 0.84 0.00 0.38 0.00 -1.23 0.00 0.00 61.79 61.78 1ujr h SER 56 Cb 2.34 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 64.26 1ujr h SER 56 CO -0.62 0.42 1.13 0.11 -0.53 0.00 0.00 176.83 177.34 1ujr h LYS 57 N -0.90 0.00 0.00 2.24 1.57 0.18 -3.42 116.57 116.24 1ujr h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ujr h LYS 57 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ujr h LYS 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1ujr n GLY 58 N -1.78 1.21 3.68 3.86 0.00 0.20 -5.05 105.19 107.31 1ujr n GLY 58 Ca 0.29 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 1.64 0.21 1.61 5.02 0.59 -4.81 118.16 122.11 1ujr n LYS 59 Ca 0.00 0.60 0.05 0.00 -2.02 0.00 0.00 58.31 56.94 1ujr n LYS 59 Cb 0.00 -2.34 0.46 0.00 -0.02 0.00 0.00 35.03 33.13 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 7.36 0.00 -2.11 1.97 1.79 -1.94 -3.31 116.57 120.33 1ujr h LYS 60 Ca -0.47 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.94 1ujr h LYS 60 Cb 1.30 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.74 1ujr h LYS 60 CO 0.92 0.28 0.09 0.54 -1.08 0.00 0.00 179.45 180.20 1ujr s ASN 61 N -6.76 -0.68 -0.09 0.86 2.20 -1.26 0.25 114.94 109.45 1ujr s ASN 61 Ca -0.03 1.20 0.01 0.00 -0.94 0.00 0.00 52.86 53.11 1ujr s ASN 61 Cb 0.14 1.19 -0.02 0.00 -2.00 0.00 0.00 41.25 40.55 1ujr s ASN 61 CO 0.69 -0.32 -0.12 0.28 -2.94 0.00 0.00 177.10 174.69 1ujr s THR 62 N 0.00 3.21 -0.21 0.54 -1.32 0.13 -4.95 115.64 113.05 1ujr s THR 62 Ca -0.03 -0.64 -0.20 0.00 -1.21 0.00 0.00 61.69 59.61 1ujr s THR 62 Cb -0.04 -2.31 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 1ujr s THR 62 CO 0.03 0.56 0.60 -1.61 -2.21 0.00 0.00 174.62 171.99 1ujr s GLU 63 N -0.27 4.19 0.13 7.08 2.02 -1.26 0.14 118.70 130.73 1ujr s GLU 63 Ca 0.02 0.55 0.10 0.00 0.02 0.00 0.00 54.97 55.66 1ujr s GLU 63 Cb -0.13 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 1ujr s GLU 63 CO 0.03 -0.24 -0.23 0.00 0.02 0.00 0.00 175.26 174.84 1ujr s MET 64 N 1.93 1.57 -0.36 1.61 0.23 0.15 -4.96 119.30 119.47 1ujr s MET 64 Ca 0.27 -1.30 -0.03 0.00 -1.03 0.00 0.00 55.69 53.61 1ujr s MET 64 Cb -0.16 -1.98 0.08 0.00 -1.53 0.00 0.00 34.83 31.24 1ujr s MET 64 CO 0.10 0.46 0.11 -1.17 -2.03 0.00 0.00 175.02 172.49 1ujr s LEU 65 N -2.16 4.64 0.70 0.18 2.96 -1.26 0.14 118.68 123.88 1ujr s LEU 65 Ca 0.16 -1.67 -0.05 0.00 -0.22 0.00 0.00 54.13 52.36 1ujr s LEU 65 Cb -0.10 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.89 1ujr s LEU 65 CO 0.08 -0.41 0.99 -0.63 -1.32 0.00 0.00 176.35 175.06 1ujr s ILE 66 N 1.20 2.30 -0.99 6.68 -1.09 0.14 -4.84 121.20 124.60 1ujr s ILE 66 Ca 0.02 -0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 57.90 1ujr s ILE 66 Cb -0.21 -2.92 -0.30 0.00 -1.58 0.00 0.00 42.46 37.45 1ujr s ILE 66 CO -0.02 0.00 2.32 0.00 -1.23 0.00 0.00 174.94 176.00 1ujr n ALA 67 N -2.87 0.87 -3.92 9.38 0.00 -1.26 0.43 120.51 123.14 1ujr n ALA 67 Ca 0.10 -0.69 -0.25 0.00 0.00 0.00 0.00 53.44 52.60 1ujr n ALA 67 Cb 0.60 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.64 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 5.83 -0.25 3.11 0.00 0.00 -1.26 -4.96 105.19 107.65 1ujr n GLY 68 Ca 0.66 0.14 -0.02 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 -3.86 -1.28 -0.31 1.61 0.08 0.17 -5.12 117.98 109.27 1ujr s PHE 69 Ca 0.06 1.44 -0.29 0.00 0.12 0.00 0.00 56.93 58.27 1ujr s PHE 69 Cb -0.03 0.38 -0.00 0.00 -0.57 0.00 0.00 43.02 42.79 1ujr s PHE 69 CO 0.88 -0.79 1.45 -0.51 -0.10 0.00 0.00 175.22 176.15 1ujr s LEU 70 N 2.74 3.77 0.23 -0.37 2.01 -1.26 0.23 118.68 126.03 1ujr s LEU 70 Ca 0.15 1.21 0.12 0.00 0.01 0.00 0.00 54.13 55.62 1ujr s LEU 70 Cb -0.15 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 1ujr s LEU 70 CO -0.19 -1.27 -0.22 -0.31 1.01 0.00 0.00 176.35 175.37 1ujr s TYR 71 N 5.07 2.31 -0.11 0.29 2.02 0.12 0.08 117.35 127.12 1ujr s TYR 71 Ca 0.63 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1ujr s TYR 71 Cb -0.18 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1ujr s TYR 71 CO 0.28 0.59 0.02 0.08 -1.57 0.00 0.00 175.55 174.96 1ujr s VAL 72 N -2.03 0.36 -0.43 0.71 1.01 0.13 0.34 120.40 120.49 1ujr s VAL 72 Ca 0.25 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1ujr s VAL 72 Cb -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1ujr s VAL 72 CO 0.12 0.09 0.49 0.00 0.00 0.00 0.00 175.10 175.80 1ujr s ALA 73 N 1.96 3.41 -0.17 5.51 0.00 0.12 0.18 121.76 132.77 1ujr s ALA 73 Ca 0.03 -1.47 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 1ujr s ALA 73 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1ujr s ALA 73 CO -0.06 -1.66 0.49 0.34 0.00 0.00 0.00 175.76 174.88 1ujr s ASP 74 N 1.90 6.60 -0.13 0.00 -1.08 0.17 0.21 116.67 124.34 1ujr s ASP 74 Ca 0.14 0.71 0.10 0.00 -0.52 0.00 0.00 52.55 52.98 1ujr s ASP 74 Cb -0.17 -2.29 -0.23 0.00 -1.46 0.00 0.00 42.92 38.77 1ujr s ASP 74 CO 0.15 -0.11 0.34 0.18 0.52 0.00 0.00 175.17 176.25 1ujr n LEU 75 N 4.35 1.17 -0.27 -1.34 7.99 0.14 0.49 117.00 129.53 1ujr n LEU 75 Ca -0.06 0.20 0.07 0.00 -0.01 0.00 0.00 56.01 56.21 1ujr n LEU 75 Cb 0.51 -0.08 0.21 0.00 -0.11 0.00 0.00 43.42 43.94 1ujr n LEU 75 CO 0.42 0.56 1.02 -0.33 -1.51 0.00 0.00 177.39 177.55 1ujr h GLU 76 N 0.01 0.42 0.00 3.23 5.08 -1.12 -0.30 114.58 121.90 1ujr h GLU 76 Ca -0.42 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1ujr h GLU 76 Cb 2.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1ujr h GLU 76 CO 0.05 0.28 -0.96 0.09 -1.00 0.00 0.00 179.01 177.47 1ujr n ASN 77 N -5.01 0.91 -2.62 1.42 3.02 -1.26 -4.99 115.26 106.72 1ujr n ASN 77 Ca 0.16 -0.93 -0.13 0.00 -0.03 0.00 0.00 54.58 53.64 1ujr n ASN 77 Cb 0.45 1.03 0.06 0.00 -0.61 0.00 0.00 39.78 40.71 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ujr n MET 78 N -1.49 -4.83 -3.73 3.52 1.56 -0.13 -4.92 117.12 107.11 1ujr n MET 78 Ca 0.03 0.57 -0.14 0.00 -0.27 0.00 0.00 57.70 57.90 1ujr n MET 78 Cb 0.31 -4.78 -0.09 0.00 2.15 0.00 0.00 33.22 30.82 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 -3.23 0.04 -0.12 1.12 -7.23 0.18 -0.17 120.40 110.98 1ujr s VAL 79 Ca 0.15 -0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 60.02 1ujr s VAL 79 Cb -0.07 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1ujr s VAL 79 CO 0.49 -0.16 -0.10 0.00 -0.31 0.00 0.00 175.10 175.02 1ujr s GLN 80 N -0.89 3.33 0.14 4.82 -2.07 0.12 0.45 119.66 125.56 1ujr s GLN 80 Ca -0.10 -0.63 0.06 0.00 -1.82 0.00 0.00 55.36 52.87 1ujr s GLN 80 Cb -0.04 -2.68 -0.04 0.00 -1.09 0.00 0.00 33.01 29.16 1ujr s GLN 80 CO 0.04 0.30 -0.13 1.52 -1.32 0.00 0.00 175.29 175.70 1ujr s TYR 81 N 0.16 1.37 0.81 9.60 -0.85 0.13 0.30 117.35 128.87 1ujr s TYR 81 Ca -0.05 -0.62 -0.11 0.00 -0.52 0.00 0.00 57.07 55.77 1ujr s TYR 81 Cb -0.15 -0.70 0.08 0.00 0.38 0.00 0.00 41.96 41.57 1ujr s TYR 81 CO 0.04 0.14 1.10 0.50 -1.52 0.00 0.00 175.55 175.82 1ujr s ARG 82 N -3.12 1.90 0.00 -3.49 3.52 0.11 0.19 118.95 118.06 1ujr s ARG 82 Ca 0.13 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1ujr s ARG 82 Cb -0.02 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 1ujr s ARG 82 CO 0.03 -1.91 0.18 0.54 -0.81 0.00 0.00 175.30 173.33 1ujr n ARG 83 N -3.71 0.00 -0.29 5.12 1.74 0.11 -2.91 116.66 116.73 1ujr n ARG 83 Ca 0.09 0.27 -0.05 0.00 -0.77 0.00 0.00 57.85 57.39 1ujr n ARG 83 Cb 0.53 -0.89 0.07 0.00 -1.02 0.00 0.00 32.46 31.15 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1ujr h ASN 84 N 0.00 1.01 -2.78 0.55 4.21 -1.96 -3.15 115.58 113.46 1ujr h ASN 84 Ca 0.00 -0.11 -0.79 0.00 1.21 0.00 0.00 56.30 56.61 1ujr h ASN 84 Cb 0.00 -0.26 -0.29 0.00 -1.12 0.00 0.00 38.32 36.65 1ujr h ASN 84 CO 0.00 0.83 0.68 -0.62 -1.29 0.00 0.00 177.43 177.03 1ujr n GLU 85 N -4.40 4.41 -0.03 0.81 4.71 -1.26 -4.80 120.64 120.08 1ujr n GLU 85 Ca 0.08 -4.58 0.24 0.00 -0.01 0.00 0.00 57.16 52.88 1ujr n GLU 85 Cb 0.10 -2.48 0.72 0.00 -1.01 0.00 0.00 31.44 28.77 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 5.18 0.00 -0.04 -0.32 3.86 -1.49 -1.09 115.15 121.25 1ujr h HIS 86 Ca 0.23 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1ujr h HIS 86 Cb 0.59 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.00 1ujr h HIS 86 CO 1.02 0.00 -0.39 0.78 0.86 0.00 0.00 177.93 180.20 1ujr h GLY 87 N 0.00 -0.68 -6.70 2.45 0.00 -1.87 -3.39 103.07 92.88 1ujr h GLY 87 Ca 0.30 0.48 -0.58 0.00 0.00 0.00 0.00 47.33 47.53 1ujr h GLY 87 CO -0.00 -0.24 1.43 0.50 0.00 0.00 0.00 176.54 178.23 1ujr s ARG 88 N -5.93 3.31 0.04 4.80 1.81 -0.42 -4.91 118.95 117.66 1ujr s ARG 88 Ca -0.16 2.05 -0.11 0.00 -1.72 0.00 0.00 55.73 55.79 1ujr s ARG 88 Cb 0.09 -4.32 0.01 0.00 -0.45 0.00 0.00 34.95 30.28 1ujr s ARG 88 CO 0.64 -1.90 0.24 -0.98 -0.68 0.00 0.00 175.30 172.63 1ujr s ARG 89 N 5.97 0.73 0.01 3.54 1.70 -1.26 0.05 118.95 129.70 1ujr s ARG 89 Ca 0.96 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 55.63 1ujr s ARG 89 Cb -0.33 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 1ujr s ARG 89 CO 0.36 -0.22 0.07 1.03 -1.08 0.00 0.00 175.30 175.46 1ujr s ARG 90 N -2.45 0.43 0.33 3.89 1.81 0.15 -4.96 118.95 118.15 1ujr s ARG 90 Ca -0.06 -0.52 -0.27 0.00 -1.72 0.00 0.00 55.73 53.17 1ujr s ARG 90 Cb -0.01 0.17 -0.09 0.00 -0.45 0.00 0.00 34.95 34.56 1ujr s ARG 90 CO -0.03 -0.09 1.04 0.15 -0.68 0.00 0.00 175.30 175.69 1ujr s LYS 91 N -1.54 4.46 0.22 3.54 -0.14 -1.26 0.16 119.74 125.18 1ujr s LYS 91 Ca -0.14 1.60 0.06 0.00 -1.36 0.00 0.00 55.97 56.12 1ujr s LYS 91 Cb -0.08 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.13 1ujr s LYS 91 CO 0.00 0.11 -0.07 0.96 -0.76 0.00 0.00 175.35 175.59 1ujr s ILE 92 N -1.42 1.39 0.18 2.17 -4.36 0.77 0.28 121.20 120.21 1ujr s ILE 92 Ca 0.50 -2.11 -0.14 0.00 -0.26 0.00 0.00 60.65 58.64 1ujr s ILE 92 Cb -0.26 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1ujr s ILE 92 CO 0.33 -0.47 0.44 -1.59 0.24 0.00 0.00 174.94 173.88 1ujr s LYS 93 N -3.75 1.30 -0.31 0.37 -2.85 0.14 -4.65 119.74 109.99 1ujr s LYS 93 Ca 0.25 -0.99 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 1ujr s LYS 93 Cb 0.03 0.47 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1ujr s LYS 93 CO 0.07 -0.53 0.05 0.50 0.10 0.00 0.00 175.35 175.55 1ujr s ARG 94 N -3.91 2.67 0.36 1.78 3.52 -1.26 0.24 118.95 122.34 1ujr s ARG 94 Ca 0.12 -1.13 0.07 0.00 -0.13 0.00 0.00 55.73 54.67 1ujr s ARG 94 Cb 0.01 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1ujr s ARG 94 CO -0.02 -0.58 0.34 0.34 -0.81 0.00 0.00 175.30 174.57 1ujr s ASP 95 N 1.37 5.33 -0.15 -2.12 2.15 0.14 -4.94 116.67 118.45 1ujr s ASP 95 Ca -0.02 -0.51 -0.11 0.00 0.43 0.00 0.00 52.55 52.34 1ujr s ASP 95 Cb -0.19 -0.90 -0.05 0.00 -0.30 0.00 0.00 42.92 41.48 1ujr s ASP 95 CO 0.01 -0.44 0.22 -0.63 -0.17 0.00 0.00 175.17 174.16 1ujr s ILE 96 N -2.33 5.35 0.00 4.11 1.01 -1.26 0.22 121.20 128.30 1ujr s ILE 96 Ca 0.43 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1ujr s ILE 96 Cb -0.06 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1ujr s ILE 96 CO 0.28 0.47 0.00 -0.38 0.00 0.00 0.00 174.94 175.31 1ujr n ILE 97 N 3.04 0.00 0.00 2.92 2.08 0.15 -4.50 119.36 123.05 1ujr n ILE 97 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1ujr n ILE 97 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 1ujr n ILE 97 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1ujr n ASP 98 N 0.00 0.00 -4.76 4.38 -0.08 -1.25 0.03 116.55 114.87 1ujr n ASP 98 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1ujr n ASP 98 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ujr s ILE 99 N 0.00 3.73 -1.16 5.18 -1.09 -1.26 -4.81 121.20 121.78 1ujr s ILE 99 Ca 0.00 1.66 -0.19 0.00 -2.23 0.00 0.00 60.65 59.89 1ujr s ILE 99 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1ujr s ILE 99 CO 0.00 0.34 1.96 -0.81 -1.23 0.00 0.00 174.94 175.20 1ujr n PRO 100 N 1.07 2.27 0.14 2.79 -0.04 -1.26 -4.58 135.00 135.39 1ujr n PRO 100 Ca -0.00 -2.51 0.13 0.00 -0.04 0.00 0.00 63.50 61.07 1ujr n PRO 100 Cb 0.46 -3.33 0.28 0.00 -0.04 0.00 0.00 33.50 30.88 1ujr n PRO 100 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ujr h LYS 101 N 7.72 0.00 0.15 0.54 2.10 -1.91 -3.26 116.57 121.91 1ujr h LYS 101 Ca 0.42 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.07 1ujr h LYS 101 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1ujr h LYS 101 CO 1.67 0.00 -0.07 0.87 -2.00 0.00 0.00 179.45 179.91 1ujr h LYS 102 N 0.00 -0.20 -0.44 0.07 1.79 -2.02 -3.35 116.57 112.43 1ujr h LYS 102 Ca 0.00 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 1ujr h LYS 102 Cb 0.84 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.45 1ujr h LYS 102 CO 0.00 0.15 -0.51 0.78 -1.08 0.00 0.00 179.45 178.79 1ujr h GLY 103 N -0.96 -0.83 -2.56 3.86 0.00 -1.95 -3.40 103.07 97.22 1ujr h GLY 103 Ca -0.02 0.66 -0.51 0.00 0.00 0.00 0.00 47.33 47.46 1ujr h GLY 103 CO 0.03 -0.14 0.48 -1.34 0.00 0.00 0.00 176.54 175.57 1ujr s VAL 104 N -5.72 3.08 -0.06 4.60 -7.23 -1.23 -5.04 120.40 108.80 1ujr s VAL 104 Ca -0.14 0.77 -0.28 0.00 -1.81 0.00 0.00 61.98 60.52 1ujr s VAL 104 Cb 0.10 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.73 1ujr s VAL 104 CO 0.63 -0.05 0.63 -0.94 -0.31 0.00 0.00 175.10 175.07 1ujr s SER 105 N -1.45 -0.61 -0.34 4.85 1.04 -1.26 -4.85 113.70 111.07 1ujr s SER 105 Ca 0.66 0.70 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 1ujr s SER 105 Cb -0.28 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1ujr s SER 105 CO 0.33 -0.56 0.15 -0.83 0.98 0.00 0.00 173.24 173.32 1ujr s GLY 106 N -1.07 1.88 0.14 7.32 0.00 -1.26 -5.07 107.32 109.25 1ujr s GLY 106 Ca -0.10 -1.64 -0.30 0.00 0.00 0.00 0.00 44.72 42.67 1ujr s GLY 106 CO 0.08 0.78 1.13 2.56 0.00 0.00 0.00 173.10 177.65 1ujr s PRO 107 N 1.51 4.54 0.81 2.90 0.04 -1.26 -5.03 135.00 138.51 1ujr s PRO 107 Ca 0.01 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1ujr s PRO 107 Cb -0.19 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.13 1ujr s PRO 107 CO 0.05 -0.03 1.12 0.45 0.04 0.00 0.00 177.00 178.62 1ujr s SER 108 N 0.26 4.46 0.51 6.66 0.15 -1.26 -5.03 113.70 119.45 1ujr s SER 108 Ca 0.52 1.09 -0.19 0.00 0.70 0.00 0.00 55.95 58.07 1ujr s SER 108 Cb -0.29 -1.76 -0.08 0.00 -1.71 0.00 0.00 66.02 62.18 1ujr s SER 108 CO 0.33 -1.97 1.04 -0.44 1.20 0.00 0.00 173.24 173.41 1ujr s SER 109 N -4.15 6.23 0.00 5.45 0.01 -1.26 -5.34 113.70 114.64 1ujr s SER 109 Ca 0.61 1.92 0.04 0.00 1.31 0.00 0.00 55.95 59.83 1ujr s SER 109 Cb -0.13 -2.56 0.22 0.00 0.21 0.00 0.00 66.02 63.77 1ujr s SER 109 CO 0.53 -0.86 0.70 0.61 0.41 0.00 0.00 173.24 174.63