#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 -0.21 0.10 3.54 0.01 -1.26 -5.18 113.70 110.70 1ujr s SER 2 Ca 0.00 -0.59 -0.26 0.00 1.31 0.00 0.00 55.95 56.41 1ujr s SER 2 Cb 0.00 0.59 0.08 0.00 0.21 0.00 0.00 66.02 66.89 1ujr s SER 2 CO 0.00 -1.09 0.89 -0.44 0.41 0.00 0.00 173.24 173.01 1ujr s SER 3 N -2.91 -0.29 0.00 2.44 0.01 -1.26 -5.18 113.70 106.51 1ujr s SER 3 Ca 0.12 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1ujr s SER 3 Cb -0.01 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1ujr s SER 3 CO 0.00 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1ujr n GLY 4 N -0.38 3.93 3.59 3.44 0.00 -1.26 -5.18 105.19 109.34 1ujr n GLY 4 Ca -0.08 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.16 1ujr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujr s SER 5 N 0.27 -0.03 0.00 1.61 0.15 -1.26 -5.19 113.70 109.25 1ujr s SER 5 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1ujr s SER 5 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1ujr s SER 5 CO 0.00 -0.14 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 1ujr n SER 6 N -0.42 0.00 0.00 5.45 7.64 -1.26 -5.18 113.62 119.85 1ujr n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ujr n SER 6 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 7 N -0.09 1.80 2.69 0.23 0.00 -1.26 -5.10 105.19 103.45 1ujr n GLY 7 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1ujr n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ujr n PHE 8 N -0.23 -1.27 -3.30 1.61 -1.74 -1.26 -5.16 117.46 106.11 1ujr n PHE 8 Ca 0.00 -1.17 -0.19 0.00 -0.56 0.00 0.00 57.45 55.53 1ujr n PHE 8 Cb 0.00 1.32 -0.01 0.00 1.52 0.00 0.00 39.48 42.31 1ujr n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ujr s LEU 9 N -1.33 3.49 0.00 5.98 1.43 -1.26 -5.12 118.68 121.87 1ujr s LEU 9 Ca 0.22 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1ujr s LEU 9 Cb 0.28 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ujr s LEU 9 CO -0.15 -0.73 0.00 -0.67 0.23 0.00 0.00 176.35 175.03 1ujr n ASP 10 N -1.71 0.00 -4.06 2.29 2.03 -1.26 -5.18 116.55 108.65 1ujr n ASP 10 Ca 0.06 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.21 1ujr n ASP 10 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.88 1ujr n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ujr s LYS 11 N -0.22 0.61 1.11 -0.67 3.01 -1.26 -5.16 119.74 117.17 1ujr s LYS 11 Ca 0.00 -0.65 -0.19 0.00 -1.01 0.00 0.00 55.97 54.12 1ujr s LYS 11 Cb 0.00 -0.49 0.26 0.00 -1.01 0.00 0.00 37.83 36.59 1ujr s LYS 11 CO 0.00 0.11 1.23 -1.25 0.51 0.00 0.00 175.35 175.96 1ujr s PRO 12 N -1.19 -0.55 0.67 -1.68 0.04 -1.26 -5.08 135.00 125.95 1ujr s PRO 12 Ca -0.04 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 60.64 1ujr s PRO 12 Cb -0.08 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 32.85 1ujr s PRO 12 CO 0.01 -3.22 0.93 -0.08 0.04 0.00 0.00 177.00 174.68 1ujr s THR 13 N -3.49 2.32 -0.56 1.26 -1.32 -1.26 -4.38 115.64 108.20 1ujr s THR 13 Ca 0.74 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1ujr s THR 13 Cb -0.05 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1ujr s THR 13 CO 0.55 0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.85 1ujr n LEU 14 N -2.70 -0.52 0.00 9.08 0.00 -1.26 -4.86 117.00 116.74 1ujr n LEU 14 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1ujr n LEU 14 Cb 0.60 -1.12 0.00 0.00 0.00 0.00 0.00 43.42 42.91 1ujr n LEU 14 CO 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 177.39 177.58 1ujr n LEU 15 N -0.64 0.00 -4.54 -1.96 -0.00 -1.26 -4.86 117.00 103.74 1ujr n LEU 15 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.70 1ujr n LEU 15 Cb 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.56 1ujr n LEU 15 CO 0.08 0.00 -0.23 -0.44 -0.00 0.00 0.00 177.39 176.80 1ujr s SER 16 N -3.94 2.93 0.31 1.45 0.01 -1.26 -5.00 113.70 108.20 1ujr s SER 16 Ca 0.00 -1.56 0.26 0.00 1.31 0.00 0.00 55.95 55.96 1ujr s SER 16 Cb 0.00 0.28 0.89 0.00 0.21 0.00 0.00 66.02 67.40 1ujr s SER 16 CO 0.00 -0.79 1.76 1.55 0.41 0.00 0.00 173.24 176.17 1ujr h PRO 17 N 1.82 0.00 -0.02 12.44 0.13 -2.02 -2.94 132.00 141.40 1ujr h PRO 17 Ca -0.39 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1ujr h PRO 17 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1ujr h PRO 17 CO 0.65 0.00 -0.69 0.93 -0.23 0.00 0.00 178.00 178.66 1ujr h GLU 18 N 0.00 0.12 0.00 0.86 5.08 -2.00 -2.68 114.58 115.96 1ujr h GLU 18 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ujr h GLU 18 Cb 0.61 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ujr h GLU 18 CO 0.00 0.76 0.00 -1.91 -1.00 0.00 0.00 179.01 176.86 1ujr n GLU 19 N -3.77 0.07 -0.08 2.33 2.13 -1.11 -0.43 120.64 119.78 1ujr n GLU 19 Ca -0.02 0.40 -0.16 0.00 0.66 0.00 0.00 57.16 58.04 1ujr n GLU 19 Cb 0.67 -1.66 -0.12 0.00 0.27 0.00 0.00 31.44 30.60 1ujr n GLU 19 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ujr h LEU 20 N 0.00 0.00 -1.10 4.31 5.85 -1.62 -3.34 115.31 119.42 1ujr h LEU 20 Ca 0.00 -0.75 -0.08 0.00 0.84 0.00 0.00 57.88 57.89 1ujr h LEU 20 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ujr h LEU 20 CO 0.00 1.15 -0.36 0.07 -0.34 0.00 0.00 178.44 178.96 1ujr h LYS 21 N -1.00 0.00 -0.66 1.25 2.10 -1.49 -2.61 116.57 114.17 1ujr h LYS 21 Ca -0.13 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.71 1ujr h LYS 21 Cb 1.06 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 1ujr h LYS 21 CO -0.08 0.36 0.55 0.00 -2.00 0.00 0.00 179.45 178.29 1ujr h ALA 22 N 1.64 2.51 -0.07 0.07 0.00 -0.86 1.30 119.26 123.85 1ujr h ALA 22 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ujr h ALA 22 Cb 0.80 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ujr h ALA 22 CO 0.05 -0.89 -0.35 0.00 0.00 0.00 0.00 179.25 178.05 1ujr h ALA 23 N 1.51 1.28 0.05 0.00 0.00 -1.60 -2.48 119.26 118.02 1ujr h ALA 23 Ca 0.31 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1ujr h ALA 23 Cb 1.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ujr h ALA 23 CO -0.00 0.50 -1.07 0.77 0.00 0.00 0.00 179.25 179.45 1ujr h SER 24 N 0.12 0.19 0.55 0.00 0.02 0.15 -3.09 113.55 111.49 1ujr h SER 24 Ca 0.01 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ujr h SER 24 Cb 0.68 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1ujr h SER 24 CO 0.05 1.13 0.00 0.54 -1.14 0.00 0.00 176.83 177.41 1ujr n ARG 25 N -3.46 0.15 0.19 3.45 5.12 -0.48 -2.39 116.66 119.24 1ujr n ARG 25 Ca -0.04 0.43 0.11 0.00 -1.93 0.00 0.00 57.85 56.43 1ujr n ARG 25 Cb 0.95 -1.81 0.61 0.00 -1.16 0.00 0.00 32.46 31.05 1ujr n ARG 25 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1ujr h GLY 26 N 1.85 0.00 2.00 -0.13 0.00 -1.39 0.24 103.07 105.63 1ujr h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ujr h GLY 26 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1ujr n ASN 27 N -2.32 0.01 0.00 0.19 6.94 -1.01 -2.95 115.26 116.12 1ujr n ASN 27 Ca -0.01 0.50 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 1ujr n ASN 27 Cb 0.13 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ujr n GLY 28 N -0.39 -1.55 3.59 4.83 0.00 0.84 -4.25 105.19 108.27 1ujr n GLY 28 Ca 0.03 0.99 -0.09 0.00 0.00 0.00 0.00 46.02 46.94 1ujr n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujr s GLU 29 N 0.00 0.51 0.95 1.61 2.02 0.91 -4.96 118.70 119.74 1ujr s GLU 29 Ca 0.00 0.14 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 1ujr s GLU 29 Cb 0.00 0.24 0.16 0.00 0.10 0.00 0.00 34.13 34.64 1ujr s GLU 29 CO 0.00 -0.16 1.11 1.52 0.02 0.00 0.00 175.26 177.76 1ujr s TYR 30 N -1.04 1.71 0.02 1.61 -0.85 -1.26 0.40 117.35 117.94 1ujr s TYR 30 Ca -0.00 1.61 -0.28 0.00 -0.52 0.00 0.00 57.07 57.88 1ujr s TYR 30 Cb -0.01 -3.25 0.08 0.00 0.38 0.00 0.00 41.96 39.16 1ujr s TYR 30 CO -0.00 -2.90 0.68 0.00 -1.52 0.00 0.00 175.55 171.81 1ujr s ALA 31 N -2.66 -1.73 0.14 9.51 0.00 0.14 -4.58 121.76 122.60 1ujr s ALA 31 Ca 0.66 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.73 1ujr s ALA 31 Cb -0.22 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1ujr s ALA 31 CO 0.59 -0.52 -0.05 -1.58 0.00 0.00 0.00 175.76 174.20 1ujr s TRP 32 N -2.17 2.78 0.09 0.00 0.52 -1.26 0.07 118.94 118.97 1ujr s TRP 32 Ca -0.05 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 55.95 1ujr s TRP 32 Cb -0.00 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 1ujr s TRP 32 CO 0.00 0.48 -0.10 0.71 0.02 0.00 0.00 176.95 178.07 1ujr s TYR 33 N -1.51 1.02 -0.01 -1.98 1.51 0.15 -3.84 117.35 112.69 1ujr s TYR 33 Ca 0.25 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1ujr s TYR 33 Cb -0.10 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1ujr s TYR 33 CO 0.16 -0.02 -0.02 1.52 -1.11 0.00 0.00 175.55 176.09 1ujr s TYR 34 N -2.42 0.27 -0.45 2.71 1.13 0.94 0.12 117.35 119.65 1ujr s TYR 34 Ca 0.04 -0.03 -0.39 0.00 -1.41 0.00 0.00 57.07 55.28 1ujr s TYR 34 Cb -0.03 -0.25 -0.17 0.00 -1.10 0.00 0.00 41.96 40.41 1ujr s TYR 34 CO -0.00 -0.05 1.92 -1.91 -2.51 0.00 0.00 175.55 173.00 1ujr n GLU 35 N 3.41 0.00 0.00 -3.49 4.07 0.13 0.05 120.64 124.81 1ujr n GLU 35 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 1ujr n GLU 35 Cb 0.56 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 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 6.71 1.98 0.11 8.31 0.00 0.14 -4.69 105.19 117.75 1ujr n GLY 36 Ca 0.49 -2.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 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 0.21 0.11 1.61 2.47 -1.94 -3.36 114.38 113.47 1ujr h ARG 37 Ca 0.00 -0.35 -0.27 0.00 -1.26 0.00 0.00 59.98 58.10 1ujr h ARG 37 Cb 0.00 0.13 0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1ujr h ARG 37 CO 0.00 1.17 -1.11 -0.97 0.56 0.00 0.00 179.97 179.62 1ujr h ASN 38 N -0.52 0.79 0.00 7.04 -1.24 -1.99 -3.49 115.58 116.17 1ujr h ASN 38 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 56.30 56.00 1ujr h ASN 38 Cb 1.53 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.33 1ujr h ASN 38 CO 0.07 1.54 0.00 0.61 -1.29 0.00 0.00 177.43 178.36 1ujr n GLY 39 N 1.38 -2.24 2.92 1.57 0.00 -1.26 -5.11 105.19 102.45 1ujr n GLY 39 Ca -0.13 0.74 -0.28 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 1.65 -0.01 1.61 0.52 -1.26 0.23 118.94 121.67 1ujr s TRP 40 Ca 0.00 -0.90 -0.06 0.00 0.02 0.00 0.00 56.10 55.15 1ujr s TRP 40 Cb 0.00 -1.31 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 1ujr s TRP 40 CO 0.00 -0.56 0.24 -1.58 0.02 0.00 0.00 176.95 175.07 1ujr s TRP 41 N 1.65 3.58 -0.24 -1.98 0.23 0.11 -4.72 118.94 117.57 1ujr s TRP 41 Ca 0.04 0.55 -0.16 0.00 -2.03 0.00 0.00 56.10 54.50 1ujr s TRP 41 Cb -0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 33.47 31.36 1ujr s TRP 41 CO -0.08 0.64 0.43 -1.14 0.96 0.00 0.00 176.95 177.75 1ujr s GLN 42 N -1.64 4.09 0.12 4.98 0.74 -1.26 -0.04 119.66 126.65 1ujr s GLN 42 Ca 0.25 0.19 -0.26 0.00 0.05 0.00 0.00 55.36 55.60 1ujr s GLN 42 Cb -0.13 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.30 1ujr s GLN 42 CO 0.14 -0.22 1.44 1.88 -0.55 0.00 0.00 175.29 177.99 1ujr h TYR 43 N 7.83 -1.48 0.00 1.67 0.05 -1.94 -3.47 116.97 119.64 1ujr h TYR 43 Ca -0.32 0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1ujr h TYR 43 Cb 1.16 0.73 0.00 0.00 1.01 0.00 0.00 36.73 39.62 1ujr h TYR 43 CO 0.73 -0.34 0.00 -3.47 -1.05 0.00 0.00 178.16 174.03 1ujr n ASP 44 N -4.83 0.00 0.00 3.88 2.03 -1.26 -5.00 116.55 111.37 1ujr n ASP 44 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ujr n ASP 44 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ujr n GLU 45 N 0.00 0.00 -0.05 -0.67 2.13 -1.26 -4.99 120.64 115.80 1ujr n GLU 45 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1ujr n GLU 45 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 -1.08 5.31 2.43 -1.97 -1.78 114.38 117.29 1ujr h ARG 46 Ca 0.00 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.49 1ujr h ARG 46 Cb 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.43 1ujr h ARG 46 CO 0.00 0.00 0.66 1.15 -1.51 0.00 0.00 179.97 180.27 1ujr h THR 47 N -0.97 0.35 0.05 0.20 2.02 -1.94 0.90 112.91 113.53 1ujr h THR 47 Ca 0.00 -0.11 -0.25 0.00 0.77 0.00 0.00 66.41 66.82 1ujr h THR 47 Cb 0.06 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1ujr h THR 47 CO 0.00 0.06 -1.07 0.77 0.37 0.00 0.00 175.52 175.65 1ujr h SER 48 N 0.32 0.57 -0.04 4.18 4.64 -1.94 -3.09 113.55 118.19 1ujr h SER 48 Ca 0.70 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1ujr h SER 48 Cb 1.77 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1ujr h SER 48 CO -0.46 1.33 0.38 0.03 -0.87 0.00 0.00 176.83 177.24 1ujr h ARG 49 N 0.20 0.00 0.05 4.77 2.47 0.18 0.54 114.38 122.59 1ujr h ARG 49 Ca -0.11 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.28 1ujr h ARG 49 Cb 1.74 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.02 1ujr h ARG 49 CO 0.19 0.00 -1.89 0.39 0.56 0.00 0.00 179.97 179.22 1ujr n GLU 50 N -2.94 0.69 -0.10 0.04 -0.58 -0.93 -3.26 120.64 113.55 1ujr n GLU 50 Ca -0.01 0.26 0.01 0.00 -0.42 0.00 0.00 57.16 57.01 1ujr n GLU 50 Cb 0.44 -1.74 0.32 0.00 -0.57 0.00 0.00 31.44 29.89 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 0.03 0.66 0.22 -4.62 3.38 0.08 0.77 115.31 115.83 1ujr h LEU 51 Ca -0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1ujr h LEU 51 Cb 2.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1ujr h LEU 51 CO 0.07 0.52 -0.11 -0.08 0.09 0.00 0.00 178.44 178.94 1ujr h GLU 52 N 0.76 -0.28 -0.63 1.13 4.57 -1.43 -0.65 114.58 118.05 1ujr h GLU 52 Ca 0.20 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.53 1ujr h GLU 52 Cb -0.01 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.54 1ujr h GLU 52 CO -0.04 0.09 0.06 -0.44 -1.18 0.00 0.00 179.01 177.51 1ujr h ASP 53 N -0.89 -0.16 0.00 1.04 5.19 -1.49 1.19 116.42 121.30 1ujr h ASP 53 Ca -0.03 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1ujr h ASP 53 Cb 0.50 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1ujr h ASP 53 CO 0.05 -0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 1ujr n ALA 54 N -2.72 -0.45 -0.43 3.45 0.00 0.25 0.19 120.51 120.79 1ujr n ALA 54 Ca 0.10 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.93 1ujr n ALA 54 Cb 0.36 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.57 1ujr n ALA 54 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ujr h PHE 55 N 0.00 0.06 0.07 0.00 3.04 -0.42 0.36 116.94 120.05 1ujr h PHE 55 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ujr h PHE 55 Cb 0.00 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1ujr h PHE 55 CO 0.21 -0.01 -0.03 1.03 -2.02 0.00 0.00 178.31 177.49 1ujr h SER 56 N 0.03 -0.08 -0.98 0.41 0.87 0.17 -3.32 113.55 110.65 1ujr h SER 56 Ca 0.67 0.00 0.31 0.00 -1.23 0.00 0.00 61.79 61.55 1ujr h SER 56 Cb 2.63 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 64.46 1ujr h SER 56 CO -0.04 0.24 0.51 0.11 -0.53 0.00 0.00 176.83 177.11 1ujr h LYS 57 N -0.69 0.28 0.00 2.24 1.57 0.33 -3.44 116.57 116.86 1ujr h LYS 57 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ujr h LYS 57 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ujr h LYS 57 CO 0.02 0.18 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 1ujr n GLY 58 N -1.31 0.68 3.61 3.86 0.00 0.10 -5.07 105.19 107.06 1ujr n GLY 58 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1ujr n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujr s LYS 59 N 0.00 3.43 -0.04 1.61 1.02 0.23 -4.85 119.74 121.14 1ujr s LYS 59 Ca 0.00 1.63 -0.23 0.00 0.02 0.00 0.00 55.97 57.39 1ujr s LYS 59 Cb 0.00 -4.19 -0.25 0.00 -0.52 0.00 0.00 37.83 32.87 1ujr s LYS 59 CO 0.00 -1.75 1.02 0.87 -0.92 0.00 0.00 175.35 174.57 1ujr h LYS 60 N 12.73 0.26 -4.78 1.68 1.79 -1.91 -2.16 116.57 124.18 1ujr h LYS 60 Ca -0.36 -0.31 -0.68 0.00 -2.18 0.00 0.00 60.65 57.13 1ujr h LYS 60 Cb 1.18 0.09 -0.25 0.00 -1.58 0.00 0.00 32.23 31.67 1ujr h LYS 60 CO 1.01 1.04 -0.60 0.54 -1.08 0.00 0.00 179.45 180.36 1ujr s ASN 61 N -6.56 5.27 -0.21 0.86 2.20 -1.26 0.23 114.94 115.48 1ujr s ASN 61 Ca -0.15 -0.70 -0.02 0.00 -0.94 0.00 0.00 52.86 51.06 1ujr s ASN 61 Cb 0.02 -1.92 0.01 0.00 -2.00 0.00 0.00 41.25 37.35 1ujr s ASN 61 CO 0.78 -0.21 -0.11 0.28 -2.94 0.00 0.00 177.10 174.91 1ujr s THR 62 N 1.53 2.82 -0.01 0.54 -1.32 0.13 -4.96 115.64 114.36 1ujr s THR 62 Ca 0.03 -0.72 -0.17 0.00 -1.21 0.00 0.00 61.69 59.62 1ujr s THR 62 Cb -0.17 -2.27 -0.06 0.00 -1.51 0.00 0.00 72.50 68.50 1ujr s THR 62 CO 0.04 0.45 0.49 -1.61 -2.21 0.00 0.00 174.62 171.77 1ujr s GLU 63 N 1.39 4.13 -0.09 7.08 8.01 -1.26 0.05 118.70 138.02 1ujr s GLU 63 Ca 0.05 0.54 0.00 0.00 0.01 0.00 0.00 54.97 55.57 1ujr s GLU 63 Cb -0.14 -3.29 0.02 0.00 -4.31 0.00 0.00 34.13 26.41 1ujr s GLU 63 CO -0.07 0.52 -0.07 0.00 0.01 0.00 0.00 175.26 175.65 1ujr s MET 64 N -0.60 1.32 -0.65 1.61 0.23 0.13 -4.93 119.30 116.41 1ujr s MET 64 Ca 0.26 -0.21 -0.23 0.00 -1.03 0.00 0.00 55.69 54.48 1ujr s MET 64 Cb -0.17 -1.34 0.06 0.00 -1.53 0.00 0.00 34.83 31.85 1ujr s MET 64 CO 0.15 -0.18 1.00 -1.17 -2.03 0.00 0.00 175.02 172.79 1ujr s LEU 65 N 1.39 4.18 0.83 0.18 0.20 -1.26 0.22 118.68 124.41 1ujr s LEU 65 Ca -0.02 -0.80 -0.12 0.00 0.69 0.00 0.00 54.13 53.88 1ujr s LEU 65 Cb -0.14 -2.52 0.09 0.00 -0.43 0.00 0.00 46.19 43.20 1ujr s LEU 65 CO -0.04 -1.45 1.17 -0.63 -0.29 0.00 0.00 176.35 175.12 1ujr s ILE 66 N 4.24 2.00 -0.93 6.68 -1.09 0.15 -4.80 121.20 127.46 1ujr s ILE 66 Ca 0.25 0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.52 1ujr s ILE 66 Cb -0.15 -2.95 -0.27 0.00 -1.58 0.00 0.00 42.46 37.51 1ujr s ILE 66 CO 0.13 0.00 2.26 0.00 -1.23 0.00 0.00 174.94 176.10 1ujr n ALA 67 N -3.42 0.86 -3.55 9.38 0.00 -1.26 0.30 120.51 122.83 1ujr n ALA 67 Ca 0.08 -0.95 -0.21 0.00 0.00 0.00 0.00 53.44 52.35 1ujr n ALA 67 Cb 0.61 -2.65 0.08 0.00 0.00 0.00 0.00 19.45 17.48 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 5.93 -0.45 3.17 0.00 0.00 -1.26 -4.98 105.19 107.59 1ujr n GLY 68 Ca 0.61 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.85 1ujr n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 69 N -3.35 -1.81 -0.38 1.61 0.08 0.15 -5.11 117.98 109.16 1ujr s PHE 69 Ca 0.32 0.78 -0.28 0.00 0.12 0.00 0.00 56.93 57.87 1ujr s PHE 69 Cb -0.14 0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.60 1ujr s PHE 69 CO 0.74 -1.12 1.86 -1.17 -0.10 0.00 0.00 175.22 175.43 1ujr s LEU 70 N 2.47 3.46 0.19 -0.37 1.98 -1.26 0.35 118.68 125.49 1ujr s LEU 70 Ca 0.12 1.14 0.06 0.00 -2.89 0.00 0.00 54.13 52.57 1ujr s LEU 70 Cb -0.08 -3.28 -0.04 0.00 0.66 0.00 0.00 46.19 43.46 1ujr s LEU 70 CO -0.19 -1.90 0.10 -0.31 -1.89 0.00 0.00 176.35 172.16 1ujr s TYR 71 N 7.63 3.03 -0.08 5.38 2.02 0.13 0.10 117.35 135.57 1ujr s TYR 71 Ca 0.79 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 1ujr s TYR 71 Cb -0.21 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1ujr s TYR 71 CO 0.31 0.53 -0.06 0.08 -1.57 0.00 0.00 175.55 174.83 1ujr s VAL 72 N -1.85 0.78 -0.34 0.71 1.01 0.17 0.23 120.40 121.10 1ujr s VAL 72 Ca 0.30 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1ujr s VAL 72 Cb -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1ujr s VAL 72 CO 0.22 0.30 0.14 0.00 0.00 0.00 0.00 175.10 175.76 1ujr s ALA 73 N 1.33 3.14 -0.32 5.51 0.00 0.11 -0.11 121.76 131.42 1ujr s ALA 73 Ca -0.03 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 1ujr s ALA 73 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1ujr s ALA 73 CO -0.03 -1.27 0.36 0.34 0.00 0.00 0.00 175.76 175.16 1ujr s ASP 74 N 1.48 6.19 -0.03 0.00 -1.08 0.27 0.17 116.67 123.67 1ujr s ASP 74 Ca 0.01 -0.11 0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1ujr s ASP 74 Cb -0.19 -2.20 -0.24 0.00 -1.46 0.00 0.00 42.92 38.84 1ujr s ASP 74 CO 0.04 -0.30 0.70 -0.07 0.52 0.00 0.00 175.17 176.07 1ujr h LEU 75 N 8.71 0.10 -1.04 -1.34 3.38 -0.41 0.55 115.31 125.26 1ujr h LEU 75 Ca -0.30 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1ujr h LEU 75 Cb 1.15 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1ujr h LEU 75 CO 0.68 1.18 0.64 -0.33 0.09 0.00 0.00 178.44 180.69 1ujr h GLU 76 N 0.02 1.09 -0.02 1.13 4.39 -1.91 -0.68 114.58 118.60 1ujr h GLU 76 Ca -0.27 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1ujr h GLU 76 Cb 1.99 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1ujr h GLU 76 CO 0.09 0.72 -0.27 0.09 -1.16 0.00 0.00 179.01 178.49 1ujr n ASN 77 N -4.51 2.30 -3.68 1.42 3.02 -1.25 -4.97 115.26 107.59 1ujr n ASN 77 Ca 0.15 -1.65 -0.25 0.00 -0.03 0.00 0.00 54.58 52.81 1ujr n ASN 77 Cb 0.21 0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.47 -6.83 -4.13 3.52 2.81 -0.26 -4.91 117.12 107.79 1ujr n MET 78 Ca 0.10 0.74 -0.10 0.00 -1.81 0.00 0.00 57.70 56.63 1ujr n MET 78 Cb 0.49 -5.71 -0.09 0.00 -0.71 0.00 0.00 33.22 27.20 1ujr n MET 78 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ujr s VAL 79 N -3.35 0.05 -0.02 2.03 1.01 0.19 0.05 120.40 120.36 1ujr s VAL 79 Ca 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.65 1ujr s VAL 79 Cb -0.23 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1ujr s VAL 79 CO 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.64 1ujr s GLN 80 N -4.08 0.26 0.04 2.72 -2.07 0.13 0.96 119.66 117.63 1ujr s GLN 80 Ca 0.29 0.00 -0.01 0.00 -1.82 0.00 0.00 55.36 53.82 1ujr s GLN 80 Cb 0.06 -0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 31.58 1ujr s GLN 80 CO 0.06 -0.05 -0.03 1.52 -1.32 0.00 0.00 175.29 175.47 1ujr s TYR 81 N 0.55 0.45 0.18 9.60 -0.85 0.85 0.57 117.35 128.70 1ujr s TYR 81 Ca -0.05 -0.90 -0.28 0.00 -0.52 0.00 0.00 57.07 55.31 1ujr s TYR 81 Cb -0.08 -0.33 -0.08 0.00 0.38 0.00 0.00 41.96 41.85 1ujr s TYR 81 CO -0.01 -0.32 0.88 1.03 -1.52 0.00 0.00 175.55 175.61 1ujr s ARG 82 N -3.17 4.71 0.07 -3.49 0.52 0.99 0.43 118.95 119.01 1ujr s ARG 82 Ca 0.00 1.35 -0.36 0.00 -0.52 0.00 0.00 55.73 56.20 1ujr s ARG 82 Cb 0.02 -3.30 -0.19 0.00 0.52 0.00 0.00 34.95 32.00 1ujr s ARG 82 CO -0.07 0.46 1.58 -0.09 0.02 0.00 0.00 175.30 177.20 1ujr h ARG 83 N 4.60 -1.11 0.13 3.54 9.65 -0.62 -1.12 114.38 129.45 1ujr h ARG 83 Ca -0.45 0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1ujr h ARG 83 Cb 1.20 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 30.04 1ujr h ARG 83 CO 0.68 -0.74 -0.06 -0.97 2.80 0.00 0.00 179.97 181.68 1ujr h ASN 84 N -1.16 -0.15 -2.28 -3.80 -0.73 -1.94 -3.27 115.58 102.26 1ujr h ASN 84 Ca -0.10 -0.19 -0.79 0.00 1.87 0.00 0.00 56.30 57.08 1ujr h ASN 84 Cb 0.92 0.04 -0.23 0.00 0.27 0.00 0.00 38.32 39.32 1ujr h ASN 84 CO 0.13 0.11 1.30 -0.62 -0.37 0.00 0.00 177.43 177.98 1ujr n GLU 85 N -5.06 4.13 -0.32 6.67 4.71 -1.20 -4.81 120.64 124.75 1ujr n GLU 85 Ca -0.09 -4.13 0.22 0.00 -0.01 0.00 0.00 57.16 53.16 1ujr n GLU 85 Cb 0.18 -2.68 0.44 0.00 -1.01 0.00 0.00 31.44 28.37 1ujr n GLU 85 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ujr h HIS 86 N 5.56 0.67 0.10 -0.32 2.76 -1.26 0.17 115.15 122.84 1ujr h HIS 86 Ca 0.28 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.52 1ujr h HIS 86 Cb 0.62 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 1ujr h HIS 86 CO 1.11 -0.27 -0.45 0.78 -1.30 0.00 0.00 177.93 177.80 1ujr h GLY 87 N 0.20 -0.92 -6.90 5.26 0.00 -1.87 -3.40 103.07 95.44 1ujr h GLY 87 Ca 0.70 0.54 -0.65 0.00 0.00 0.00 0.00 47.33 47.92 1ujr h GLY 87 CO -0.68 -0.27 1.40 0.54 0.00 0.00 0.00 176.54 177.53 1ujr n ARG 88 N -5.47 1.30 -3.85 4.80 5.12 0.59 -4.87 116.66 114.29 1ujr n ARG 88 Ca -0.07 0.37 -0.08 0.00 -1.93 0.00 0.00 57.85 56.13 1ujr n ARG 88 Cb 0.39 -2.61 -0.00 0.00 -1.16 0.00 0.00 32.46 29.08 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 6.06 1.98 -0.09 5.56 1.70 -1.26 -0.01 118.95 132.90 1ujr s ARG 89 Ca 1.07 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 1ujr s ARG 89 Cb -0.76 0.60 0.12 0.00 -0.57 0.00 0.00 34.95 34.35 1ujr s ARG 89 CO 0.47 -0.91 0.98 1.03 -1.08 0.00 0.00 175.30 175.79 1ujr s ARG 90 N -3.16 0.65 0.64 3.89 0.52 0.19 -4.95 118.95 116.73 1ujr s ARG 90 Ca 0.14 -0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 55.09 1ujr s ARG 90 Cb -0.05 0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 1ujr s ARG 90 CO 0.10 -0.26 1.12 0.15 0.02 0.00 0.00 175.30 176.43 1ujr s LYS 91 N -2.26 2.88 0.02 3.54 1.02 -1.26 0.21 119.74 123.90 1ujr s LYS 91 Ca 0.03 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.49 1ujr s LYS 91 Cb -0.01 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1ujr s LYS 91 CO -0.04 -1.20 -0.04 0.96 -0.92 0.00 0.00 175.35 174.11 1ujr s ILE 92 N -2.20 0.25 -0.11 2.17 -4.36 0.11 0.21 121.20 117.27 1ujr s ILE 92 Ca 0.69 -0.77 -0.08 0.00 -0.26 0.00 0.00 60.65 60.23 1ujr s ILE 92 Cb -0.22 -0.33 0.04 0.00 1.25 0.00 0.00 42.46 43.20 1ujr s ILE 92 CO 0.39 -0.34 0.28 -1.59 0.24 0.00 0.00 174.94 173.92 1ujr s LYS 93 N -1.17 0.29 -0.23 0.37 -2.85 0.12 -4.53 119.74 111.74 1ujr s LYS 93 Ca -0.10 0.48 -0.17 0.00 -1.00 0.00 0.00 55.97 55.17 1ujr s LYS 93 Cb -0.08 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.70 1ujr s LYS 93 CO -0.00 -0.09 0.45 0.50 0.10 0.00 0.00 175.35 176.30 1ujr s ARG 94 N 0.66 4.12 0.29 1.78 3.52 -1.26 0.32 118.95 128.38 1ujr s ARG 94 Ca -0.04 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1ujr s ARG 94 Cb -0.05 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.69 1ujr s ARG 94 CO -0.04 -0.18 0.06 0.34 -0.81 0.00 0.00 175.30 174.67 1ujr s ASP 95 N 1.29 1.89 -0.13 -2.12 2.15 0.11 -4.99 116.67 114.87 1ujr s ASP 95 Ca 0.20 -1.35 -0.07 0.00 0.43 0.00 0.00 52.55 51.76 1ujr s ASP 95 Cb -0.15 0.01 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 1ujr s ASP 95 CO 0.09 -0.63 0.13 -0.63 -0.17 0.00 0.00 175.17 173.95 1ujr s ILE 96 N -3.47 5.38 0.07 4.11 1.01 -1.26 0.29 121.20 127.33 1ujr s ILE 96 Ca 0.36 0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1ujr s ILE 96 Cb 0.08 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1ujr s ILE 96 CO 0.14 0.59 0.02 -0.63 0.00 0.00 0.00 174.94 175.06 1ujr s ILE 97 N -0.78 4.18 0.00 2.92 -1.09 0.16 -4.84 121.20 121.75 1ujr s ILE 97 Ca 0.13 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1ujr s ILE 97 Cb -0.12 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1ujr s ILE 97 CO 0.03 0.17 0.00 -0.67 -1.23 0.00 0.00 174.94 173.24 1ujr n ASP 98 N 0.69 0.00 -1.38 3.58 -0.08 -1.15 -0.07 116.55 118.15 1ujr n ASP 98 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1ujr n ASP 98 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ujr n ILE 99 N 0.00 -4.20 -0.79 5.18 5.41 -1.17 -4.37 119.36 119.41 1ujr n ILE 99 Ca 0.00 1.89 -0.13 0.00 1.00 0.00 0.00 62.75 65.51 1ujr n ILE 99 Cb 0.00 -2.69 -0.11 0.00 -0.71 0.00 0.00 39.64 36.13 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 -1.29 1.74 -0.12 0.38 -0.04 -1.26 -3.91 135.00 130.48 1ujr n PRO 100 Ca 0.00 -0.94 -0.25 0.00 -0.04 0.00 0.00 63.50 62.27 1ujr n PRO 100 Cb 0.10 -2.01 -0.11 0.00 -0.04 0.00 0.00 33.50 31.44 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 2.87 0.61 0.25 0.54 4.81 -1.26 -4.29 118.16 121.70 1ujr n LYS 101 Ca 0.37 0.27 0.08 0.00 -0.87 0.00 0.00 58.31 58.17 1ujr n LYS 101 Cb 0.59 -1.54 0.63 0.00 0.02 0.00 0.00 35.03 34.73 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ujr h LYS 102 N -0.69 0.00 -0.41 1.64 3.64 -1.83 -1.68 116.57 117.24 1ujr h LYS 102 Ca -0.61 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 1ujr h LYS 102 Cb 1.67 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.44 1ujr h LYS 102 CO -0.29 0.06 -0.24 0.41 -2.27 0.00 0.00 179.45 177.12 1ujr n GLY 103 N -1.33 -2.45 0.11 5.01 0.00 -1.26 -1.34 105.19 103.93 1ujr n GLY 103 Ca -0.03 0.75 -0.16 0.00 0.00 0.00 0.00 46.02 46.58 1ujr n GLY 103 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ujr h VAL 104 N 0.00 1.32 -2.22 1.61 -1.51 -1.80 -3.50 116.25 110.15 1ujr h VAL 104 Ca 0.07 -2.94 0.11 0.00 -1.23 0.00 0.00 66.70 62.71 1ujr h VAL 104 Cb 0.17 2.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 1ujr h VAL 104 CO -0.39 0.85 -0.14 -0.24 -1.23 0.00 0.00 177.57 176.42 1ujr n SER 105 N -3.47 -6.37 0.00 4.19 2.88 -0.45 -5.03 113.62 105.37 1ujr n SER 105 Ca -0.12 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1ujr n SER 105 Cb 1.03 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1ujr n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujr n GLY 106 N -1.16 0.08 3.77 0.46 0.00 -1.26 -5.01 105.19 102.07 1ujr n GLY 106 Ca 0.00 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 0.49 4.50 0.24 1.61 0.04 -1.26 -5.04 135.00 135.58 1ujr s PRO 107 Ca 0.00 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.51 1ujr s PRO 107 Cb 0.00 -2.99 0.04 0.00 0.04 0.00 0.00 34.50 31.59 1ujr s PRO 107 CO 0.00 0.12 0.70 -1.54 0.04 0.00 0.00 177.00 176.32 1ujr s SER 108 N -1.12 -0.34 0.33 6.66 1.04 -1.26 -5.14 113.70 113.88 1ujr s SER 108 Ca 0.48 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ujr s SER 108 Cb -0.28 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ujr s SER 108 CO 0.36 -1.22 0.00 -0.24 0.98 0.00 0.00 173.24 173.12 1ujr n SER 109 N -0.44 -6.14 0.00 7.02 2.88 -1.26 -5.33 113.62 110.35 1ujr n SER 109 Ca -0.07 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1ujr n SER 109 Cb 0.61 -2.83 0.00 0.00 -0.75 0.00 0.00 64.21 61.24 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42