#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 s ARG 2 N 0.00 4.20 0.05 0.00 0.52 -1.26 -5.08 118.95 117.38 2ju5 s ARG 2 Ca 0.00 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.20 2ju5 s ARG 2 Cb 0.00 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2ju5 s ARG 2 CO 0.00 0.28 -0.11 1.03 0.02 0.00 0.00 175.30 176.53 2ju5 s ARG 3 N 0.37 0.67 -0.00 3.54 0.52 -1.26 -5.16 118.95 117.63 2ju5 s ARG 3 Ca 0.13 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 2ju5 s ARG 3 Cb -0.12 -0.56 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 2ju5 s ARG 3 CO 0.01 0.12 -0.09 1.03 0.02 0.00 0.00 175.30 176.39 2ju5 s ARG 4 N -1.57 0.71 0.46 3.54 0.52 -1.26 -5.13 118.95 116.21 2ju5 s ARG 4 Ca -0.06 -0.36 -0.24 0.00 -0.52 0.00 0.00 55.73 54.56 2ju5 s ARG 4 Cb -0.10 -0.68 -0.07 0.00 0.52 0.00 0.00 34.95 34.62 2ju5 s ARG 4 CO 0.01 0.18 1.25 0.00 0.02 0.00 0.00 175.30 176.76 2ju5 s ALA 5 N -0.30 3.04 0.42 2.13 0.00 -1.26 -4.96 121.76 120.84 2ju5 s ALA 5 Ca 0.03 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 2ju5 s ALA 5 Cb -0.04 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 2ju5 s ALA 5 CO -0.00 -0.84 1.35 -1.12 0.00 0.00 0.00 175.76 175.14 2ju5 s SER 6 N -1.07 6.17 0.09 0.00 0.01 -1.26 -5.01 113.70 112.63 2ju5 s SER 6 Ca 0.63 2.75 -0.26 0.00 1.31 0.00 0.00 55.95 60.38 2ju5 s SER 6 Cb -0.34 -2.64 0.08 0.00 0.21 0.00 0.00 66.02 63.33 2ju5 s SER 6 CO 0.42 -0.96 0.77 -0.83 0.41 0.00 0.00 173.24 173.05 2ju5 s GLY 7 N -0.65 -0.48 -0.03 3.44 0.00 -1.26 -5.18 107.32 103.16 2ju5 s GLY 7 Ca 0.58 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.89 2ju5 s GLY 7 CO 0.51 0.21 0.11 1.85 0.00 0.00 0.00 173.10 175.78 2ju5 s GLU 8 N -3.44 0.22 -0.65 2.90 2.12 -1.26 -4.95 118.70 113.64 2ju5 s GLU 8 Ca 0.05 -0.00 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 2ju5 s GLU 8 Cb -0.01 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.48 2ju5 s GLU 8 CO -0.08 -0.04 0.65 -1.71 -0.54 0.00 0.00 175.26 173.54 2ju5 n ASN 9 N 2.60 -7.13 -4.74 -1.70 2.85 -1.26 -4.88 115.26 101.00 2ju5 n ASN 9 Ca -0.15 -0.07 -0.40 0.00 -0.11 0.00 0.00 54.58 53.85 2ju5 n ASN 9 Cb 0.58 -4.38 0.02 0.00 1.24 0.00 0.00 39.78 37.24 2ju5 n ASN 9 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2ju5 n LEU 10 N -1.38 4.79 -0.31 1.20 4.77 -1.26 -4.88 117.00 119.92 2ju5 n LEU 10 Ca -0.03 1.10 0.07 0.00 -0.03 0.00 0.00 56.01 57.12 2ju5 n LEU 10 Cb 0.54 -1.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.29 2ju5 n LEU 10 CO 0.54 -0.37 1.15 1.56 -1.33 0.00 0.00 177.39 178.93 2ju5 h GLN 11 N 2.13 0.73 -5.12 3.23 4.20 -2.05 -3.38 115.11 114.85 2ju5 h GLN 11 Ca -0.50 -0.04 -0.64 0.00 0.06 0.00 0.00 58.65 57.53 2ju5 h GLN 11 Cb 1.28 -0.16 -0.22 0.00 0.30 0.00 0.00 27.48 28.68 2ju5 h GLN 11 CO 0.60 0.48 -0.65 -0.65 -0.67 0.00 0.00 178.83 177.95 2ju5 s GLN 12 N -5.97 3.66 -0.06 1.46 -0.21 -1.26 -5.09 119.66 112.19 2ju5 s GLN 12 Ca -0.12 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2ju5 s GLN 12 Cb 0.22 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 31.12 2ju5 s GLN 12 CO 0.79 0.02 -0.11 0.99 -2.12 0.00 0.00 175.29 174.86 2ju5 s THR 13 N 0.99 1.03 -0.48 -0.19 2.01 -1.26 -5.07 115.64 112.67 2ju5 s THR 13 Ca 0.02 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2ju5 s THR 13 Cb -0.14 -0.95 0.21 0.00 0.01 0.00 0.00 72.50 71.63 2ju5 s THR 13 CO 0.02 0.33 0.86 -2.11 -0.69 0.00 0.00 174.62 173.03 2ju5 n ARG 14 N 3.86 0.53 -0.35 4.92 1.85 -1.26 -5.02 116.66 121.18 2ju5 n ARG 14 Ca -0.23 -1.70 0.07 0.00 -1.00 0.00 0.00 57.85 54.98 2ju5 n ARG 14 Cb 0.52 -1.19 0.23 0.00 -1.05 0.00 0.00 32.46 30.97 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2ju5 h PRO 15 N 4.48 0.92 -5.20 2.89 0.11 -2.07 -3.39 132.00 129.74 2ju5 h PRO 15 Ca -0.03 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 65.42 2ju5 h PRO 15 Cb 1.10 -0.21 -0.13 0.00 0.11 0.00 0.00 31.00 31.87 2ju5 h PRO 15 CO 0.08 0.61 -0.49 0.42 -0.21 0.00 0.00 178.00 178.40 2ju5 s ILE 16 N -5.96 5.39 0.57 4.15 -1.09 -1.26 -5.08 121.20 117.92 2ju5 s ILE 16 Ca -0.12 0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.31 2ju5 s ILE 16 Cb 0.22 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 2ju5 s ILE 16 CO 0.80 0.40 1.14 0.00 -1.23 0.00 0.00 174.94 176.05 2ju5 s ALA 17 N 0.64 2.63 0.02 9.38 0.00 -1.26 -5.06 121.76 128.10 2ju5 s ALA 17 Ca 0.08 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 2ju5 s ALA 17 Cb -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2ju5 s ALA 17 CO 0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 175.76 174.83 2ju5 s ALA 18 N -1.85 0.08 -0.03 0.00 0.00 -1.26 -5.16 121.76 113.54 2ju5 s ALA 18 Ca 0.72 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.24 2ju5 s ALA 18 Cb -0.24 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2ju5 s ALA 18 CO 0.30 -0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.85 2ju5 s ALA 19 N -1.20 0.86 0.12 0.00 0.00 -1.26 -5.15 121.76 115.14 2ju5 s ALA 19 Ca -0.13 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2ju5 s ALA 19 Cb -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2ju5 s ALA 19 CO -0.01 0.12 -0.14 -0.80 0.00 0.00 0.00 175.76 174.93 2ju5 s ASN 20 N 0.33 1.98 0.36 0.00 0.02 -1.26 -5.04 114.94 111.33 2ju5 s ASN 20 Ca -0.05 -0.82 -0.26 0.00 -1.02 0.00 0.00 52.86 50.71 2ju5 s ASN 20 Cb -0.10 -0.06 -0.09 0.00 0.02 0.00 0.00 41.25 41.02 2ju5 s ASN 20 CO 0.01 -0.16 1.11 -0.22 0.02 0.00 0.00 177.10 177.86 2ju5 s LEU 21 N -2.49 4.28 -0.42 0.60 2.96 -1.26 -5.01 118.68 117.34 2ju5 s LEU 21 Ca 0.09 2.22 -0.13 0.00 -0.22 0.00 0.00 54.13 56.09 2ju5 s LEU 21 Cb -0.04 -3.96 0.05 0.00 0.50 0.00 0.00 46.19 42.73 2ju5 s LEU 21 CO 0.03 -0.45 0.28 -1.10 -1.32 0.00 0.00 176.35 173.79 2ju5 s GLN 22 N -2.12 2.84 0.24 1.98 -0.21 -1.26 -5.07 119.66 116.06 2ju5 s GLN 22 Ca 0.54 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 2ju5 s GLN 22 Cb -0.28 -3.89 -0.09 0.00 1.00 0.00 0.00 33.01 29.75 2ju5 s GLN 22 CO 0.35 -0.84 0.96 -1.58 -2.12 0.00 0.00 175.29 172.06 2ju5 s TRP 23 N 1.57 3.93 0.29 0.91 0.51 -1.26 -4.40 118.94 120.48 2ju5 s TRP 23 Ca 0.03 1.89 0.07 0.00 -2.12 0.00 0.00 56.10 55.97 2ju5 s TRP 23 Cb -0.21 -3.02 -0.06 0.00 -0.81 0.00 0.00 33.47 29.37 2ju5 s TRP 23 CO 0.06 0.32 -0.07 -1.21 -0.51 0.00 0.00 176.95 175.55 2ju5 s GLU 24 N -1.15 1.59 0.63 4.98 2.02 0.47 -5.02 118.70 122.21 2ju5 s GLU 24 Ca 0.42 -1.80 -0.09 0.00 0.02 0.00 0.00 54.97 53.51 2ju5 s GLU 24 Cb -0.27 -1.24 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 2ju5 s GLU 24 CO 0.33 0.06 1.00 -1.12 0.02 0.00 0.00 175.26 175.55 2ju5 s SER 25 N -3.46 5.80 0.17 -0.19 0.01 -1.26 -4.09 113.70 110.67 2ju5 s SER 25 Ca 0.30 1.10 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 2ju5 s SER 25 Cb 0.03 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.25 2ju5 s SER 25 CO 0.12 -1.06 1.76 0.22 0.41 0.00 0.00 173.24 174.70 2ju5 h TYR 26 N -0.35 0.76 -0.48 2.43 3.20 -1.94 0.50 116.97 121.09 2ju5 h TYR 26 Ca -0.45 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.26 2ju5 h TYR 26 Cb 1.23 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2ju5 h TYR 26 CO 0.55 0.57 -0.21 0.00 -1.64 0.00 0.00 178.16 177.44 2ju5 h ALA 27 N 1.11 0.73 -0.42 1.82 0.00 -2.00 -2.75 119.26 117.75 2ju5 h ALA 27 Ca 0.19 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 2ju5 h ALA 27 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ju5 h ALA 27 CO -0.03 0.67 -0.29 0.93 0.00 0.00 0.00 179.25 180.54 2ju5 h GLU 28 N 0.84 0.93 -0.33 0.00 5.08 -1.84 -2.67 114.58 116.59 2ju5 h GLU 28 Ca 0.11 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2ju5 h GLU 28 Cb 0.78 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2ju5 h GLU 28 CO 0.06 1.10 0.15 0.00 -1.00 0.00 0.00 179.01 179.33 2ju5 h ALA 29 N 0.81 0.40 -0.64 3.43 0.00 0.09 -1.01 119.26 122.33 2ju5 h ALA 29 Ca 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2ju5 h ALA 29 Cb 0.87 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2ju5 h ALA 29 CO 0.08 -0.23 0.12 -0.07 0.00 0.00 0.00 179.25 179.14 2ju5 h LEU 30 N 0.32 1.01 -0.58 0.00 3.38 -1.49 0.42 115.31 118.36 2ju5 h LEU 30 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2ju5 h LEU 30 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2ju5 h LEU 30 CO -0.11 1.00 0.32 -0.33 0.09 0.00 0.00 178.44 179.41 2ju5 h GLU 31 N 0.97 0.81 -0.39 1.13 5.08 -1.10 0.17 114.58 121.24 2ju5 h GLU 31 Ca 0.20 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2ju5 h GLU 31 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 31 CO 0.01 0.62 -0.27 0.45 -1.00 0.00 0.00 179.01 178.82 2ju5 h HIS 32 N 0.79 1.03 -0.48 4.33 3.86 -0.96 -3.09 115.15 120.63 2ju5 h HIS 32 Ca 0.20 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2ju5 h HIS 32 Cb 0.05 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2ju5 h HIS 32 CO -0.01 1.07 0.10 0.77 0.86 0.00 0.00 177.93 180.72 2ju5 h SER 33 N 0.69 0.68 -0.05 2.45 0.02 -0.44 1.01 113.55 117.91 2ju5 h SER 33 Ca 0.08 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2ju5 h SER 33 Cb 0.85 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2ju5 h SER 33 CO 0.07 0.69 0.04 0.11 -1.14 0.00 0.00 176.83 176.60 2ju5 h LYS 34 N 0.70 0.00 0.01 3.45 1.57 -0.60 1.28 116.57 122.99 2ju5 h LYS 34 Ca 0.16 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.54 2ju5 h LYS 34 Cb 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 2ju5 h LYS 34 CO 0.00 0.00 -2.41 1.04 -0.57 0.00 0.00 179.45 177.51 2ju5 n GLN 35 N -4.30 0.65 0.02 3.15 6.02 -0.40 -4.60 117.38 117.92 2ju5 n GLN 35 Ca -0.02 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.28 2ju5 n GLN 35 Cb 0.14 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 2ju5 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ju5 n ASP 36 N -3.51 0.42 -0.27 1.08 8.00 0.34 -4.98 116.55 117.63 2ju5 n ASP 36 Ca -0.46 -0.10 -0.04 0.00 0.71 0.00 0.00 54.79 54.90 2ju5 n ASP 36 Cb 0.97 1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 43.35 2ju5 n ASP 36 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ju5 n HIS 37 N -2.18 0.00 -2.35 1.24 8.25 0.44 -4.98 115.22 115.64 2ju5 n HIS 37 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ju5 n HIS 37 Cb 0.51 -1.26 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 2ju5 n HIS 37 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ju5 s LYS 38 N -1.62 4.35 0.67 -0.41 1.02 -1.26 -4.87 119.74 117.61 2ju5 s LYS 38 Ca 0.00 1.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 2ju5 s LYS 38 Cb 0.00 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2ju5 s LYS 38 CO 0.00 -0.44 0.95 -2.30 -0.92 0.00 0.00 175.35 172.64 2ju5 n PRO 39 N 4.85 0.69 -4.53 -1.68 -0.02 -1.26 -4.59 135.00 128.46 2ju5 n PRO 39 Ca 0.11 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 2ju5 n PRO 39 Cb 0.45 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 2ju5 n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ju5 s ILE 40 N -1.67 3.70 -0.29 4.25 1.01 0.19 -1.80 121.20 126.60 2ju5 s ILE 40 Ca 0.75 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 2ju5 s ILE 40 Cb -0.38 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 2ju5 s ILE 40 CO 0.48 0.53 0.10 -0.83 0.00 0.00 0.00 174.94 175.22 2ju5 s GLY 41 N -0.01 1.80 -0.32 6.18 0.00 -0.22 -1.57 107.32 113.19 2ju5 s GLY 41 Ca -0.00 -1.38 -0.17 0.00 0.00 0.00 0.00 44.72 43.17 2ju5 s GLY 41 CO 0.03 0.64 0.47 1.08 0.00 0.00 0.00 173.10 175.32 2ju5 s LEU 42 N 1.55 4.26 -0.55 0.66 2.01 -1.03 -1.12 118.68 124.46 2ju5 s LEU 42 Ca 0.04 0.09 -0.20 0.00 0.01 0.00 0.00 54.13 54.07 2ju5 s LEU 42 Cb -0.17 -2.54 0.07 0.00 0.01 0.00 0.00 46.19 43.56 2ju5 s LEU 42 CO 0.04 -0.38 0.74 0.12 1.01 0.00 0.00 176.35 177.88 2ju5 s PHE 43 N 2.28 2.94 -0.25 0.29 5.36 -0.37 -3.36 117.98 124.88 2ju5 s PHE 43 Ca 0.18 -0.55 -0.16 0.00 -0.96 0.00 0.00 56.93 55.44 2ju5 s PHE 43 Cb -0.16 -3.84 -0.04 0.00 -0.34 0.00 0.00 43.02 38.65 2ju5 s PHE 43 CO 0.12 -1.23 0.40 -0.06 -1.46 0.00 0.00 175.22 172.99 2ju5 s PHE 44 N 3.06 3.28 0.24 10.12 0.08 -1.01 -1.02 117.98 132.73 2ju5 s PHE 44 Ca 0.18 0.50 -0.06 0.00 0.12 0.00 0.00 56.93 57.67 2ju5 s PHE 44 Cb -0.19 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2ju5 s PHE 44 CO 0.12 -0.18 0.43 0.25 -0.10 0.00 0.00 175.22 175.74 2ju5 n THR 45 N 4.91 0.00 -3.66 0.64 -2.24 -1.06 -2.68 114.28 110.18 2ju5 n THR 45 Ca -0.08 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 2ju5 n THR 45 Cb 0.51 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 2ju5 n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 46 N -2.35 1.61 0.42 3.38 0.00 -1.26 -0.54 107.32 108.57 2ju5 s GLY 46 Ca 0.14 -2.57 0.14 0.00 0.00 0.00 0.00 44.72 42.43 2ju5 s GLY 46 CO 0.10 1.63 1.92 1.76 0.00 0.00 0.00 173.10 178.52 2ju5 h SER 47 N 6.57 0.43 -0.01 1.64 0.02 -1.87 -0.51 113.55 119.82 2ju5 h SER 47 Ca 0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.92 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2ju5 h SER 47 CO 0.46 0.23 -0.58 0.47 -1.14 0.00 0.00 176.83 176.27 2ju5 n ASP 48 N -4.49 1.45 0.00 3.07 8.00 -1.26 -4.72 116.55 118.60 2ju5 n ASP 48 Ca 0.14 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2ju5 n ASP 48 Cb 0.48 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N -0.60 0.00 -3.27 1.24 4.27 -1.11 -4.90 117.44 113.08 2ju5 n TRP 49 Ca 0.06 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.25 2ju5 n TRP 49 Cb 0.36 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.22 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 h MET 51 N 8.55 0.67 -0.10 0.00 4.05 -1.96 -2.91 114.93 123.22 2ju5 h MET 51 Ca -0.28 -0.76 -0.01 0.00 -0.28 0.00 0.00 59.70 58.37 2ju5 h MET 51 Cb 1.12 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 2ju5 h MET 51 CO 0.78 1.33 0.01 -1.49 0.23 0.00 0.00 176.91 177.77 2ju5 h TRP 52 N 0.33 0.14 -0.38 1.39 6.55 -1.92 -0.68 115.95 121.37 2ju5 h TRP 52 Ca -0.14 -0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.53 2ju5 h TRP 52 Cb 1.74 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 29.99 2ju5 h TRP 52 CO 0.11 0.15 -0.39 0.00 -1.05 0.00 0.00 178.44 177.26 2ju5 h ILE 54 N 0.76 1.19 -0.30 0.00 2.04 -0.99 0.67 117.51 120.88 2ju5 h ILE 54 Ca 0.06 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2ju5 h ILE 54 Cb 0.98 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2ju5 h ILE 54 CO 0.10 0.21 0.18 0.11 0.00 0.00 0.00 178.15 178.74 2ju5 h LYS 55 N 0.79 0.40 -0.52 2.37 1.79 -0.88 1.77 116.57 122.29 2ju5 h LYS 55 Ca 0.21 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2ju5 h LYS 55 Cb 0.04 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2ju5 h LYS 55 CO -0.03 0.31 0.27 1.98 -1.08 0.00 0.00 179.45 180.90 2ju5 h MET 56 N 0.38 0.73 -0.08 3.15 4.05 -0.83 0.80 114.93 123.13 2ju5 h MET 56 Ca 0.11 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2ju5 h MET 56 Cb 0.02 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2ju5 h MET 56 CO -0.02 0.59 -0.00 0.37 0.23 0.00 0.00 176.91 178.08 2ju5 h GLN 57 N 0.69 0.15 -0.27 0.39 4.15 -0.48 0.40 115.11 120.14 2ju5 h GLN 57 Ca 0.18 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 2ju5 h GLN 57 Cb 0.08 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2ju5 h GLN 57 CO -0.03 0.41 -0.44 0.22 -1.93 0.00 0.00 178.83 177.06 2ju5 h ASP 58 N -0.14 0.74 0.57 -0.69 1.82 0.29 -0.98 116.42 118.03 2ju5 h ASP 58 Ca 0.02 -0.35 -0.26 0.00 -0.39 0.00 0.00 57.03 56.06 2ju5 h ASP 58 Cb 0.34 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 2ju5 h ASP 58 CO 0.00 1.07 -1.60 1.56 -1.61 0.00 0.00 179.24 178.66 2ju5 h GLN 59 N 0.55 0.00 0.00 0.28 4.20 0.63 -3.40 115.11 117.37 2ju5 h GLN 59 Ca 0.04 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2ju5 h GLN 59 Cb 0.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2ju5 h GLN 59 CO 0.09 0.46 -0.99 -0.89 -0.67 0.00 0.00 178.83 176.83 2ju5 n ILE 60 N -3.02 0.69 -0.35 2.54 5.41 0.14 -3.61 119.36 121.17 2ju5 n ILE 60 Ca -0.14 0.06 -0.03 0.00 1.00 0.00 0.00 62.75 63.63 2ju5 n ILE 60 Cb 0.99 -1.65 0.09 0.00 -0.71 0.00 0.00 39.64 38.36 2ju5 n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ju5 h LEU 61 N -0.24 1.13 -0.62 1.39 -0.00 -1.30 -2.00 115.31 113.67 2ju5 h LEU 61 Ca -0.11 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2ju5 h LEU 61 Cb 0.84 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2ju5 h LEU 61 CO -0.07 0.88 0.00 0.00 -0.00 0.00 0.00 178.44 179.25 2ju5 n GLN 62 N -4.35 1.42 -2.72 1.13 6.02 -0.38 -4.41 117.38 114.08 2ju5 n GLN 62 Ca 0.10 -0.62 -0.33 0.00 -0.01 0.00 0.00 57.00 56.14 2ju5 n GLN 62 Cb 0.07 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ju5 s SER 63 N -1.88 6.75 0.19 1.08 1.04 -0.75 -4.93 113.70 115.20 2ju5 s SER 63 Ca 0.39 1.75 -0.12 0.00 0.48 0.00 0.00 55.95 58.45 2ju5 s SER 63 Cb 0.20 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.88 2ju5 s SER 63 CO 0.32 -0.49 1.86 0.28 0.98 0.00 0.00 173.24 176.19 2ju5 h SER 64 N 1.77 0.72 -0.60 7.02 0.02 -1.91 -1.28 113.55 119.29 2ju5 h SER 64 Ca -0.49 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 2ju5 h SER 64 Cb 1.19 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2ju5 h SER 64 CO 0.60 0.52 0.25 -0.33 -1.14 0.00 0.00 176.83 176.73 2ju5 h GLU 65 N 0.85 0.90 -0.51 3.45 4.39 -1.91 -1.52 114.58 120.22 2ju5 h GLU 65 Ca 0.23 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2ju5 h GLU 65 Cb -0.10 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2ju5 h GLU 65 CO -0.05 0.76 0.17 0.35 -1.16 0.00 0.00 179.01 179.08 2ju5 h PHE 66 N 0.84 0.81 -0.47 4.33 3.04 -1.72 -1.32 116.94 122.45 2ju5 h PHE 66 Ca 0.20 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2ju5 h PHE 66 Cb 0.19 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 2ju5 h PHE 66 CO 0.01 0.70 0.30 0.87 -2.02 0.00 0.00 178.31 178.17 2ju5 h LYS 67 N 0.70 0.62 -0.16 1.11 1.57 -0.98 0.40 116.57 119.84 2ju5 h LYS 67 Ca 0.17 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2ju5 h LYS 67 Cb 0.26 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2ju5 h LYS 67 CO -0.01 0.43 -0.05 1.25 -0.57 0.00 0.00 179.45 180.50 2ju5 h HIS 68 N 0.63 0.35 -0.06 -1.35 2.76 -1.15 -0.13 115.15 116.20 2ju5 h HIS 68 Ca 0.17 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2ju5 h HIS 68 Cb -0.05 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 2ju5 h HIS 68 CO -0.04 0.59 0.03 0.35 -1.30 0.00 0.00 177.93 177.57 2ju5 h PHE 69 N 0.00 0.08 -0.32 5.26 3.57 -1.13 -2.34 116.94 122.07 2ju5 h PHE 69 Ca 0.04 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 69 Cb 0.49 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2ju5 h PHE 69 CO 0.06 0.11 -0.22 0.00 -2.23 0.00 0.00 178.31 176.03 2ju5 h ALA 70 N 0.96 1.01 -0.48 2.41 0.00 -0.94 0.15 119.26 122.37 2ju5 h ALA 70 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2ju5 h ALA 70 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ju5 h ALA 70 CO -0.00 0.59 -0.04 0.78 0.00 0.00 0.00 179.25 180.57 2ju5 h GLY 71 N 1.00 0.90 0.40 0.00 0.00 -0.89 0.46 103.07 104.94 2ju5 h GLY 71 Ca 0.08 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 2ju5 h GLY 71 CO 0.05 0.59 -0.93 -2.08 0.00 0.00 0.00 176.54 174.17 2ju5 h VAL 72 N 0.77 1.31 -0.01 4.60 2.07 -1.27 -3.41 116.25 120.31 2ju5 h VAL 72 Ca 0.14 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2ju5 h VAL 72 Cb 0.53 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2ju5 h VAL 72 CO 0.03 0.63 -0.27 1.41 0.02 0.00 0.00 177.57 179.39 2ju5 n HIS 73 N -4.19 0.00 -4.18 1.57 -0.00 0.51 -5.07 115.22 103.86 2ju5 n HIS 73 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.41 2ju5 n HIS 73 Cb 0.76 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.65 2ju5 n HIS 73 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ju5 s LEU 74 N -1.86 1.53 -0.17 2.41 1.02 0.15 -4.24 118.68 117.52 2ju5 s LEU 74 Ca 0.12 -1.29 -0.01 0.00 0.02 0.00 0.00 54.13 52.97 2ju5 s LEU 74 Cb 0.11 0.30 -0.01 0.00 0.02 0.00 0.00 46.19 46.62 2ju5 s LEU 74 CO 0.35 -0.77 -0.11 -1.00 0.02 0.00 0.00 176.35 174.84 2ju5 s HIS 75 N -4.06 2.86 -0.07 0.29 3.76 -0.74 -4.54 115.29 112.79 2ju5 s HIS 75 Ca 0.31 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.27 2ju5 s HIS 75 Cb 0.07 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2ju5 s HIS 75 CO 0.07 -0.44 0.07 1.41 -0.85 0.00 0.00 174.74 175.00 2ju5 s MET 76 N 0.93 3.14 -0.05 1.40 1.75 -1.26 -1.05 119.30 124.16 2ju5 s MET 76 Ca -0.02 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 2ju5 s MET 76 Cb -0.15 -2.93 0.01 0.00 2.84 0.00 0.00 34.83 34.61 2ju5 s MET 76 CO -0.01 0.70 -0.11 0.08 -0.65 0.00 0.00 175.02 175.04 2ju5 s VAL 77 N -1.03 1.01 -0.23 10.11 1.01 -0.27 -0.39 120.40 130.61 2ju5 s VAL 77 Ca 0.17 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 2ju5 s VAL 77 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2ju5 s VAL 77 CO 0.07 0.32 0.36 -0.70 0.00 0.00 0.00 175.10 175.15 2ju5 s GLU 78 N 0.58 4.11 -0.38 2.72 2.12 -1.26 -1.23 118.70 125.36 2ju5 s GLU 78 Ca -0.12 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.32 2ju5 s GLU 78 Cb -0.14 -3.57 0.12 0.00 0.26 0.00 0.00 34.13 30.79 2ju5 s GLU 78 CO 0.03 -0.09 0.16 0.08 -0.54 0.00 0.00 175.26 174.89 2ju5 s VAL 79 N 1.49 1.46 0.02 3.70 1.01 -0.19 -4.91 120.40 122.99 2ju5 s VAL 79 Ca 0.16 -2.16 0.01 0.00 0.00 0.00 0.00 61.98 59.99 2ju5 s VAL 79 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2ju5 s VAL 79 CO 0.08 -0.76 0.04 -1.81 0.00 0.00 0.00 175.10 172.66 2ju5 s ASP 80 N 0.85 5.38 -0.61 3.32 1.01 -1.26 -2.56 116.67 122.80 2ju5 s ASP 80 Ca 0.14 0.03 0.06 0.00 0.71 0.00 0.00 52.55 53.48 2ju5 s ASP 80 Cb -0.21 -1.45 0.21 0.00 1.01 0.00 0.00 42.92 42.48 2ju5 s ASP 80 CO -0.10 0.25 0.56 0.49 0.21 0.00 0.00 175.17 176.58 2ju5 n PHE 81 N 1.06 2.38 -1.65 4.23 3.01 0.29 -4.95 117.46 121.83 2ju5 n PHE 81 Ca -0.12 -4.03 -0.31 0.00 1.01 0.00 0.00 57.45 54.00 2ju5 n PHE 81 Cb 0.52 -0.45 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ju5 s PRO 82 N -1.57 3.01 0.05 -1.08 0.04 -1.26 -4.42 135.00 129.77 2ju5 s PRO 82 Ca 0.32 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 2ju5 s PRO 82 Cb 0.06 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 2ju5 s PRO 82 CO -0.11 -1.02 1.25 -0.56 0.04 0.00 0.00 177.00 176.60 2ju5 h GLN 83 N -0.65 0.55 -4.25 4.56 3.07 -1.95 -3.37 115.11 113.07 2ju5 h GLN 83 Ca -0.44 -0.43 -0.74 0.00 0.09 0.00 0.00 58.65 57.12 2ju5 h GLN 83 Cb 1.21 0.08 -0.23 0.00 0.08 0.00 0.00 27.48 28.63 2ju5 h GLN 83 CO 0.59 1.06 -0.16 0.21 0.09 0.00 0.00 178.83 180.62 2ju5 s LYS 84 N -3.75 3.00 -0.11 0.06 2.20 -1.26 -5.03 119.74 114.85 2ju5 s LYS 84 Ca -0.13 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 53.70 2ju5 s LYS 84 Cb 0.06 -4.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2ju5 s LYS 84 CO 0.83 -1.34 0.58 -0.80 -0.36 0.00 0.00 175.35 174.26 2ju5 s ASN 85 N 3.49 6.79 -0.01 1.43 0.01 -1.26 -4.92 114.94 120.48 2ju5 s ASN 85 Ca 0.05 0.95 0.01 0.00 -0.71 0.00 0.00 52.86 53.16 2ju5 s ASN 85 Cb -0.28 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2ju5 s ASN 85 CO 0.04 -0.08 0.71 1.41 -1.51 0.00 0.00 177.10 177.67 2ju5 n HIS 86 N 3.93 0.00 -2.80 2.20 8.25 -1.26 -5.08 115.22 120.45 2ju5 n HIS 86 Ca -0.04 -0.12 -0.37 0.00 -0.26 0.00 0.00 57.72 56.93 2ju5 n HIS 86 Cb 0.51 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2ju5 n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ju5 s GLN 87 N -0.28 4.59 0.62 -0.41 -0.21 -1.26 -5.01 119.66 117.70 2ju5 s GLN 87 Ca 0.02 1.31 -0.18 0.00 0.02 0.00 0.00 55.36 56.53 2ju5 s GLN 87 Cb 0.01 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2ju5 s GLN 87 CO 0.00 0.32 0.93 -2.30 -2.12 0.00 0.00 175.29 172.12 2ju5 n PRO 88 N 0.71 0.80 -0.22 2.91 -0.02 -1.26 -4.64 135.00 133.29 2ju5 n PRO 88 Ca 0.01 0.32 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 2ju5 n PRO 88 Cb 0.50 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 31.96 2ju5 n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ju5 h GLU 89 N 0.35 0.13 -0.61 -0.52 5.08 -1.99 0.29 114.58 117.31 2ju5 h GLU 89 Ca -0.48 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2ju5 h GLU 89 Cb 1.37 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2ju5 h GLU 89 CO 0.50 0.09 0.40 0.93 -1.00 0.00 0.00 179.01 179.93 2ju5 h GLU 90 N 0.14 0.79 -0.28 2.33 5.08 -2.00 -0.49 114.58 120.15 2ju5 h GLU 90 Ca 0.35 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2ju5 h GLU 90 Cb 0.58 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ju5 h GLU 90 CO -0.55 0.52 -0.52 0.37 -1.00 0.00 0.00 179.01 177.83 2ju5 h GLN 91 N 0.81 0.80 -0.47 2.33 4.15 -1.33 -2.44 115.11 118.96 2ju5 h GLN 91 Ca 0.23 -0.49 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 2ju5 h GLN 91 Cb -0.07 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2ju5 h GLN 91 CO -0.05 1.12 -0.04 0.00 -1.93 0.00 0.00 178.83 177.93 2ju5 h ARG 92 N 0.62 0.85 -0.28 1.69 3.08 -0.45 -1.85 114.38 118.05 2ju5 h ARG 92 Ca 0.02 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2ju5 h ARG 92 Cb 1.11 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2ju5 h ARG 92 CO 0.11 0.92 0.14 1.96 -1.07 0.00 0.00 179.97 182.04 2ju5 h GLN 93 N 0.70 0.39 -0.64 0.04 4.20 -1.09 -2.16 115.11 116.55 2ju5 h GLN 93 Ca 0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2ju5 h GLN 93 Cb 0.56 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2ju5 h GLN 93 CO 0.03 0.36 0.37 -0.22 -0.67 0.00 0.00 178.83 178.71 2ju5 h LYS 94 N 0.32 0.88 -0.99 1.46 3.64 -1.39 -2.20 116.57 118.29 2ju5 h LYS 94 Ca 0.10 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2ju5 h LYS 94 Cb 0.09 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2ju5 h LYS 94 CO -0.01 0.64 0.65 -0.91 -2.27 0.00 0.00 179.45 177.55 2ju5 h ASN 95 N 0.87 1.15 -0.61 4.20 -0.26 -1.12 -0.49 115.58 119.31 2ju5 h ASN 95 Ca 0.23 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.84 2ju5 h ASN 95 Cb 0.00 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 36.95 2ju5 h ASN 95 CO -0.04 0.84 0.01 1.56 -1.06 0.00 0.00 177.43 178.73 2ju5 h GLN 96 N 1.35 1.08 -0.52 0.81 4.20 -1.06 -0.70 115.11 120.26 2ju5 h GLN 96 Ca 0.36 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 96 Cb -0.14 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2ju5 h GLN 96 CO -0.08 1.04 0.19 0.93 -0.67 0.00 0.00 178.83 180.25 2ju5 h GLU 97 N 0.98 0.79 -0.59 1.46 5.08 -0.82 -1.94 114.58 119.54 2ju5 h GLU 97 Ca 0.17 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2ju5 h GLU 97 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2ju5 h GLU 97 CO 0.03 0.71 0.12 1.25 -1.00 0.00 0.00 179.01 180.12 2ju5 h LEU 98 N 0.71 0.91 -1.14 1.33 5.85 -0.92 0.40 115.31 122.45 2ju5 h LEU 98 Ca 0.17 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2ju5 h LEU 98 Cb 0.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2ju5 h LEU 98 CO -0.01 0.92 0.56 0.50 -0.34 0.00 0.00 178.44 180.07 2ju5 h LYS 99 N 0.86 1.13 0.04 1.25 3.64 -0.89 -1.56 116.57 121.03 2ju5 h LYS 99 Ca 0.18 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.22 2ju5 h LYS 99 Cb 0.38 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2ju5 h LYS 99 CO 0.01 0.76 -1.09 0.00 -2.27 0.00 0.00 179.45 176.85 2ju5 h ALA 100 N 1.45 0.12 -0.29 5.00 0.00 -0.99 0.30 119.26 124.86 2ju5 h ALA 100 Ca 0.31 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2ju5 h ALA 100 Cb -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ju5 h ALA 100 CO -0.07 0.71 0.10 0.37 0.00 0.00 0.00 179.25 180.36 2ju5 h GLN 101 N 0.34 0.22 -0.61 0.00 4.15 0.51 -1.86 115.11 117.86 2ju5 h GLN 101 Ca -0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2ju5 h GLN 101 Cb 1.75 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.39 2ju5 h GLN 101 CO 0.21 0.14 0.00 0.66 -1.93 0.00 0.00 178.83 177.91 2ju5 n TYR 102 N -5.03 1.04 -3.76 3.99 4.01 -0.65 -4.92 117.16 111.83 2ju5 n TYR 102 Ca -0.00 -0.42 -0.24 0.00 -0.16 0.00 0.00 57.90 57.08 2ju5 n TYR 102 Cb 0.11 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 38.98 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ju5 n LYS 103 N 0.76 -3.86 -3.16 -0.72 5.02 -0.70 -4.93 118.16 110.57 2ju5 n LYS 103 Ca 0.18 0.54 -0.39 0.00 -2.02 0.00 0.00 58.31 56.62 2ju5 n LYS 103 Cb 0.65 -4.87 -0.06 0.00 -0.02 0.00 0.00 35.03 30.74 2ju5 n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ju5 s VAL 104 N -3.72 5.07 0.00 -0.18 1.01 0.11 -4.90 120.40 117.77 2ju5 s VAL 104 Ca 0.08 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2ju5 s VAL 104 Cb -0.02 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2ju5 s VAL 104 CO 0.84 0.18 0.00 0.35 0.00 0.00 0.00 175.10 176.47 2ju5 n THR 105 N 4.37 0.00 -3.95 3.92 -2.24 -1.26 -4.75 114.28 110.37 2ju5 n THR 105 Ca -0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2ju5 n THR 105 Cb 0.50 -1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.28 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 106 N -4.98 2.15 0.08 3.38 0.00 -1.26 -5.12 107.32 101.57 2ju5 s GLY 106 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.95 2ju5 s GLY 106 CO 0.00 -0.79 -0.18 -0.11 0.00 0.00 0.00 173.10 172.02 2ju5 s PHE 107 N -1.42 1.59 0.29 1.90 -0.12 -1.26 -3.91 117.98 115.05 2ju5 s PHE 107 Ca 0.31 -0.41 -0.28 0.00 -0.05 0.00 0.00 56.93 56.50 2ju5 s PHE 107 Cb -0.13 -0.90 -0.09 0.00 -0.63 0.00 0.00 43.02 41.27 2ju5 s PHE 107 CO 0.23 0.13 0.97 -1.25 -0.05 0.00 0.00 175.22 175.26 2ju5 s PRO 108 N -1.63 4.65 -0.04 1.99 0.04 -1.26 -4.74 135.00 134.01 2ju5 s PRO 108 Ca 0.04 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 2ju5 s PRO 108 Cb -0.09 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.47 2ju5 s PRO 108 CO 0.03 0.32 0.01 -2.00 0.04 0.00 0.00 177.00 175.40 2ju5 s GLU 109 N -1.69 0.31 -0.21 4.56 2.12 -1.09 -4.02 118.70 118.68 2ju5 s GLU 109 Ca 0.47 0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 2ju5 s GLU 109 Cb -0.24 -0.59 -0.00 0.00 0.26 0.00 0.00 34.13 33.56 2ju5 s GLU 109 CO 0.30 -0.20 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.56 2ju5 s LEU 110 N 1.42 2.70 -0.10 2.70 0.20 0.14 -2.41 118.68 123.33 2ju5 s LEU 110 Ca -0.04 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.36 2ju5 s LEU 110 Cb -0.13 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2ju5 s LEU 110 CO -0.03 -0.00 -0.19 0.68 -0.29 0.00 0.00 176.35 176.52 2ju5 s VAL 111 N 1.37 2.55 -0.22 1.68 -7.23 -1.21 -0.39 120.40 116.95 2ju5 s VAL 111 Ca 0.05 -0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 2ju5 s VAL 111 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2ju5 s VAL 111 CO -0.05 0.55 0.21 -0.36 -0.31 0.00 0.00 175.10 175.14 2ju5 s PHE 112 N 0.16 3.35 0.10 2.82 0.08 0.66 -2.46 117.98 122.69 2ju5 s PHE 112 Ca -0.10 0.35 0.04 0.00 0.12 0.00 0.00 56.93 57.34 2ju5 s PHE 112 Cb -0.16 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 2ju5 s PHE 112 CO 0.06 0.10 -0.11 0.96 -0.10 0.00 0.00 175.22 176.13 2ju5 s ILE 113 N 0.96 1.04 0.75 0.64 -4.36 -0.61 -0.53 121.20 119.09 2ju5 s ILE 113 Ca 0.11 -1.67 -0.05 0.00 -0.26 0.00 0.00 60.65 58.78 2ju5 s ILE 113 Cb -0.13 -1.41 0.16 0.00 1.25 0.00 0.00 42.46 42.32 2ju5 s ILE 113 CO 0.04 -0.53 1.02 0.47 0.24 0.00 0.00 174.94 176.18 2ju5 n ASP 114 N 0.53 0.91 0.07 4.36 8.00 -0.00 0.55 116.55 130.96 2ju5 n ASP 114 Ca -0.16 -1.87 0.10 0.00 0.71 0.00 0.00 54.79 53.57 2ju5 n ASP 114 Cb 0.58 -0.70 0.41 0.00 -0.02 0.00 0.00 41.12 41.38 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ju5 n ALA 115 N -3.18 1.70 1.06 2.24 0.00 -1.26 -1.61 120.51 119.46 2ju5 n ALA 115 Ca -0.17 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2ju5 n ALA 115 Cb 0.54 -1.32 0.15 0.00 0.00 0.00 0.00 19.45 18.82 2ju5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ju5 n GLU 116 N -1.88 2.23 -0.69 0.00 1.02 -1.26 -4.80 120.64 115.27 2ju5 n GLU 116 Ca 0.03 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 2ju5 n GLU 116 Cb 0.21 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.33 0.61 3.73 0.62 0.00 -0.64 -5.04 105.19 105.81 2ju5 n GLY 117 Ca 0.15 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2ju5 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ju5 s LYS 118 N -0.86 4.72 -0.16 1.61 1.02 -1.26 -4.75 119.74 120.06 2ju5 s LYS 118 Ca 0.00 1.43 -0.27 0.00 0.02 0.00 0.00 55.97 57.15 2ju5 s LYS 118 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2ju5 s LYS 118 CO 0.00 0.29 0.92 -1.14 -0.92 0.00 0.00 175.35 174.50 2ju5 s GLN 119 N -0.26 4.34 -0.14 1.68 0.74 -1.26 -0.82 119.66 123.92 2ju5 s GLN 119 Ca 0.45 1.20 0.15 0.00 0.05 0.00 0.00 55.36 57.22 2ju5 s GLN 119 Cb -0.24 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.06 2ju5 s GLN 119 CO 0.30 -0.37 0.29 1.28 -0.55 0.00 0.00 175.29 176.24 2ju5 n LEU 120 N 5.31 0.40 -3.60 3.68 4.32 0.31 -4.99 117.00 122.43 2ju5 n LEU 120 Ca 0.07 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 2ju5 n LEU 120 Cb 0.48 0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 42.61 2ju5 n LEU 120 CO 0.50 0.47 1.10 0.00 -1.22 0.00 0.00 177.39 178.24 2ju5 s ALA 121 N -2.53 -2.25 -0.10 -1.18 0.00 -1.21 -4.61 121.76 109.87 2ju5 s ALA 121 Ca -0.09 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2ju5 s ALA 121 Cb 0.07 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2ju5 s ALA 121 CO 0.82 -0.88 0.29 -0.98 0.00 0.00 0.00 175.76 175.01 2ju5 s ARG 122 N -2.29 0.38 0.06 0.00 1.70 -1.26 -0.25 118.95 117.30 2ju5 s ARG 122 Ca 0.13 0.33 -0.06 0.00 -0.47 0.00 0.00 55.73 55.65 2ju5 s ARG 122 Cb 0.03 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 2ju5 s ARG 122 CO -0.04 -0.06 0.12 -1.64 -1.08 0.00 0.00 175.30 172.60 2ju5 s MET 123 N -0.04 0.72 0.00 3.89 -1.94 0.48 -5.00 119.30 117.40 2ju5 s MET 123 Ca -0.02 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2ju5 s MET 123 Cb -0.03 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2ju5 s MET 123 CO 0.01 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 2ju5 n GLY 124 N 0.24 5.14 3.72 -0.03 0.00 -1.26 0.27 105.19 113.27 2ju5 n GLY 124 Ca -0.16 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 2.85 3.72 -0.10 1.61 5.36 -1.26 -4.88 117.98 125.28 2ju5 s PHE 125 Ca 0.00 1.68 -0.03 0.00 -0.96 0.00 0.00 56.93 57.61 2ju5 s PHE 125 Cb 0.00 -3.03 0.05 0.00 -0.34 0.00 0.00 43.02 39.70 2ju5 s PHE 125 CO 0.00 0.12 0.13 -1.21 -1.46 0.00 0.00 175.22 172.80 2ju5 s GLU 126 N 0.45 0.03 0.82 10.12 0.41 -1.26 -5.13 118.70 124.13 2ju5 s GLU 126 Ca 0.47 0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 55.23 2ju5 s GLU 126 Cb -0.22 -0.76 0.02 0.00 -1.78 0.00 0.00 34.13 31.40 2ju5 s GLU 126 CO 0.27 -0.43 0.72 -2.30 -0.49 0.00 0.00 175.26 173.03 2ju5 n PRO 127 N 5.31 0.08 0.00 0.39 -0.02 -1.26 -4.28 135.00 135.22 2ju5 n PRO 127 Ca -0.05 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2ju5 n PRO 127 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2ju5 n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ju5 n GLY 128 N 1.23 1.51 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.48 2ju5 n GLY 128 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ju5 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju5 n GLY 129 N 0.00 0.12 0.27 -0.02 0.00 -1.26 -4.37 105.19 99.93 2ju5 n GLY 129 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2ju5 n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ju5 h GLY 130 N 0.00 0.97 0.96 -0.02 0.00 -1.89 -2.66 103.07 100.43 2ju5 h GLY 130 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2ju5 h GLY 130 CO 0.00 0.58 0.18 0.00 0.00 0.00 0.00 176.54 177.31 2ju5 h ALA 131 N 1.01 0.44 -0.50 3.60 0.00 -1.92 -2.29 119.26 119.60 2ju5 h ALA 131 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ju5 h ALA 131 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ju5 h ALA 131 CO 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.35 2ju5 h ALA 132 N 1.05 1.28 -0.57 0.00 0.00 -1.75 -2.84 119.26 116.43 2ju5 h ALA 132 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ju5 h ALA 132 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 132 CO -0.02 0.51 0.24 -0.92 0.00 0.00 0.00 179.25 179.06 2ju5 h TYR 133 N 0.74 0.85 -0.52 0.00 5.03 -1.11 -2.96 116.97 119.00 2ju5 h TYR 133 Ca 0.16 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 2ju5 h TYR 133 Cb 0.27 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 2ju5 h TYR 133 CO 0.01 0.67 0.03 -0.39 -1.32 0.00 0.00 178.16 177.17 2ju5 h VAL 134 N 0.77 1.24 -0.99 1.81 -1.51 -1.19 -2.40 116.25 113.98 2ju5 h VAL 134 Ca 0.19 -0.99 0.01 0.00 -1.23 0.00 0.00 66.70 64.68 2ju5 h VAL 134 Cb 0.17 0.82 -0.05 0.00 -2.13 0.00 0.00 31.29 30.10 2ju5 h VAL 134 CO -0.02 0.35 0.66 0.28 -1.23 0.00 0.00 177.57 177.61 2ju5 h SER 135 N 0.80 1.14 -0.54 4.19 0.02 -1.36 -2.34 113.55 115.45 2ju5 h SER 135 Ca 0.16 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2ju5 h SER 135 Cb 0.43 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2ju5 h SER 135 CO 0.02 0.83 0.20 0.11 -1.14 0.00 0.00 176.83 176.84 2ju5 h LYS 136 N 1.35 0.83 -0.54 3.45 1.57 -1.30 -2.74 116.57 119.19 2ju5 h LYS 136 Ca 0.36 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2ju5 h LYS 136 Cb -0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2ju5 h LYS 136 CO -0.08 0.74 -0.01 -0.24 -0.57 0.00 0.00 179.45 179.29 2ju5 h VAL 137 N 0.75 1.26 -0.63 0.50 3.04 -1.15 -2.22 116.25 117.79 2ju5 h VAL 137 Ca 0.18 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2ju5 h VAL 137 Cb 0.24 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 2ju5 h VAL 137 CO -0.01 0.40 0.41 0.11 -1.01 0.00 0.00 177.57 177.46 2ju5 h LYS 138 N 0.86 0.84 -0.64 4.17 1.57 -1.28 -0.35 116.57 121.73 2ju5 h LYS 138 Ca 0.16 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2ju5 h LYS 138 CO 0.03 0.57 0.06 1.03 -0.57 0.00 0.00 179.45 180.56 2ju5 h SER 139 N 0.85 1.06 -0.49 0.86 0.87 -1.30 -0.94 113.55 114.46 2ju5 h SER 139 Ca 0.23 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2ju5 h SER 139 Cb -0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 2ju5 h SER 139 CO -0.05 1.08 -0.11 0.00 -0.53 0.00 0.00 176.83 177.22 2ju5 h ALA 140 N 1.02 0.82 -0.01 6.23 0.00 -0.98 -2.97 119.26 123.37 2ju5 h ALA 140 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ju5 h ALA 140 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ju5 h ALA 140 CO 0.02 0.66 -0.11 1.28 0.00 0.00 0.00 179.25 181.10 2ju5 n LEU 141 N -4.15 1.14 -3.21 0.00 4.32 -0.18 -4.70 117.00 110.22 2ju5 n LEU 141 Ca 0.02 -0.33 -0.16 0.00 -0.02 0.00 0.00 56.01 55.52 2ju5 n LEU 141 Cb 0.40 -0.07 0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2ju5 n LEU 141 CO 0.45 0.20 0.11 0.29 -1.22 0.00 0.00 177.39 177.21 2ju5 n LYS 142 N -0.32 -6.08 -3.52 3.23 4.76 -0.48 -4.98 118.16 110.76 2ju5 n LYS 142 Ca 0.16 0.77 -0.38 0.00 -2.87 0.00 0.00 58.31 55.99 2ju5 n LYS 142 Cb 0.33 -5.56 -0.09 0.00 -1.84 0.00 0.00 35.03 27.87 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ju5 s LEU 143 N -6.00 4.10 0.00 -0.35 1.02 -0.48 -5.05 118.68 111.91 2ju5 s LEU 143 Ca 0.03 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.45 2ju5 s LEU 143 Cb -0.01 -2.29 0.15 0.00 0.02 0.00 0.00 46.19 44.05 2ju5 s LEU 143 CO 0.66 -0.04 0.63 -1.14 0.02 0.00 0.00 176.35 176.48