#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 4.42 0.11 0.00 0.52 -1.26 -4.99 118.95 117.76 2ju5 s ARG 2 Ca 0.00 1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 56.88 2ju5 s ARG 2 Cb 0.00 -3.22 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 2ju5 s ARG 2 CO 0.00 -0.21 1.13 1.03 0.02 0.00 0.00 175.30 177.27 2ju5 s ARG 3 N 0.00 4.53 0.26 3.54 0.52 -1.26 -4.94 118.95 121.61 2ju5 s ARG 3 Ca 0.56 1.71 -0.05 0.00 -0.52 0.00 0.00 55.73 57.43 2ju5 s ARG 3 Cb -0.35 -3.32 0.31 0.00 0.52 0.00 0.00 34.95 32.11 2ju5 s ARG 3 CO 0.37 -0.07 1.93 0.00 0.02 0.00 0.00 175.30 177.54 2ju5 h ARG 4 N 5.95 1.24 0.00 3.54 3.08 -2.09 -3.44 114.38 122.66 2ju5 h ARG 4 Ca -0.43 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2ju5 h ARG 4 Cb 1.21 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2ju5 h ARG 4 CO 0.76 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 180.50 2ju5 n ALA 5 N -2.39 0.00 -1.69 0.04 0.00 -1.26 -4.88 120.51 110.33 2ju5 n ALA 5 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 2ju5 n ALA 5 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2ju5 n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ju5 s SER 6 N 0.00 5.84 -0.06 0.00 0.01 -1.26 -5.03 113.70 113.20 2ju5 s SER 6 Ca 0.00 1.89 -0.25 0.00 1.31 0.00 0.00 55.95 58.91 2ju5 s SER 6 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.76 2ju5 s SER 6 CO 0.00 -1.13 1.10 0.61 0.41 0.00 0.00 173.24 174.23 2ju5 n GLY 7 N -0.67 0.18 0.29 3.44 0.00 -1.26 -5.01 105.19 102.15 2ju5 n GLY 7 Ca 0.09 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 2ju5 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ju5 h GLU 8 N 0.00 0.97 -6.08 1.61 4.81 -2.05 -3.47 114.58 110.36 2ju5 h GLU 8 Ca -0.16 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 58.72 2ju5 h GLU 8 Cb 0.95 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.14 2ju5 h GLU 8 CO 0.24 0.71 -0.92 -1.71 -0.73 0.00 0.00 179.01 176.60 2ju5 n ASN 9 N -4.52 -6.41 -4.76 1.04 2.85 -1.26 -4.88 115.26 97.33 2ju5 n ASN 9 Ca 0.06 0.04 -0.41 0.00 -0.11 0.00 0.00 54.58 54.17 2ju5 n ASN 9 Cb 0.07 -3.09 -0.03 0.00 1.24 0.00 0.00 39.78 37.97 2ju5 n ASN 9 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2ju5 s LEU 10 N -2.70 4.49 -0.34 1.20 1.43 -1.26 -4.15 118.68 117.35 2ju5 s LEU 10 Ca 0.31 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 55.70 2ju5 s LEU 10 Cb -0.05 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.56 2ju5 s LEU 10 CO 0.84 -0.34 0.39 0.00 0.23 0.00 0.00 176.35 177.47 2ju5 n GLN 11 N 1.17 -2.19 -2.40 1.70 1.13 -1.26 -4.88 117.38 110.66 2ju5 n GLN 11 Ca 0.00 1.88 -0.42 0.00 -1.94 0.00 0.00 57.00 56.53 2ju5 n GLN 11 Cb 0.43 -3.93 -0.03 0.00 0.11 0.00 0.00 30.24 26.82 2ju5 n GLN 11 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ju5 s GLN 12 N -2.10 4.47 0.60 -1.09 -0.21 -1.26 -5.04 119.66 115.04 2ju5 s GLN 12 Ca 0.19 1.83 -0.05 0.00 0.02 0.00 0.00 55.36 57.35 2ju5 s GLN 12 Cb -0.04 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.71 2ju5 s GLN 12 CO 0.68 -0.16 0.91 0.95 -2.12 0.00 0.00 175.29 175.55 2ju5 s THR 13 N 0.43 3.32 -0.40 -0.19 -4.23 -1.26 -5.06 115.64 108.25 2ju5 s THR 13 Ca 0.55 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 61.03 2ju5 s THR 13 Cb -0.31 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.47 2ju5 s THR 13 CO 0.33 -0.33 0.61 0.54 -0.54 0.00 0.00 174.62 175.23 2ju5 n ARG 14 N -2.61 0.78 -0.29 3.99 1.74 -1.26 -4.99 116.66 114.02 2ju5 n ARG 14 Ca 0.05 -3.10 0.10 0.00 -0.77 0.00 0.00 57.85 54.13 2ju5 n ARG 14 Cb 0.58 -1.34 0.33 0.00 -1.02 0.00 0.00 32.46 31.01 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2ju5 h PRO 15 N 3.75 0.79 0.00 5.56 0.11 -2.02 -0.57 132.00 139.61 2ju5 h PRO 15 Ca 0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 2ju5 h PRO 15 Cb 0.92 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2ju5 h PRO 15 CO 0.45 0.52 -0.19 -0.84 -0.21 0.00 0.00 178.00 177.73 2ju5 h ILE 16 N 0.81 0.66 -0.69 4.15 3.07 -1.94 -2.89 117.51 120.69 2ju5 h ILE 16 Ca 0.45 -0.84 -0.05 0.00 1.55 0.00 0.00 64.86 65.97 2ju5 h ILE 16 Cb 0.58 1.54 -0.03 0.00 -0.27 0.00 0.00 36.82 38.64 2ju5 h ILE 16 CO -0.21 0.19 0.23 0.00 -1.05 0.00 0.00 178.15 177.31 2ju5 h ALA 17 N 1.81 0.90 -0.55 0.16 0.00 -1.52 -2.88 119.26 117.18 2ju5 h ALA 17 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2ju5 h ALA 17 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ju5 h ALA 17 CO 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 2ju5 h ALA 18 N 1.10 0.94 -2.80 0.00 0.00 -1.57 -3.44 119.26 113.50 2ju5 h ALA 18 Ca 0.22 -0.30 -0.52 0.00 0.00 0.00 0.00 54.91 54.32 2ju5 h ALA 18 Cb 0.28 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 17.93 2ju5 h ALA 18 CO -0.01 0.64 0.55 0.00 0.00 0.00 0.00 179.25 180.42 2ju5 s ALA 19 N -4.99 3.13 0.06 0.00 0.00 -1.09 -5.03 121.76 113.85 2ju5 s ALA 19 Ca -0.11 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2ju5 s ALA 19 Cb 0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2ju5 s ALA 19 CO 0.84 -0.72 0.09 0.09 0.00 0.00 0.00 175.76 176.06 2ju5 n ASN 20 N -0.10 -0.26 -4.76 0.00 5.03 -1.26 -4.97 115.26 108.94 2ju5 n ASN 20 Ca 0.05 -1.30 -0.40 0.00 0.87 0.00 0.00 54.58 53.80 2ju5 n ASN 20 Cb 0.46 0.47 -0.04 0.00 -1.02 0.00 0.00 39.78 39.65 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2ju5 s LEU 21 N 0.00 4.51 -0.44 3.41 2.96 -1.26 -5.00 118.68 122.86 2ju5 s LEU 21 Ca 0.04 2.37 -0.15 0.00 -0.22 0.00 0.00 54.13 56.18 2ju5 s LEU 21 Cb -0.00 -3.65 0.05 0.00 0.50 0.00 0.00 46.19 43.09 2ju5 s LEU 21 CO 0.03 -0.25 0.34 -1.10 -1.32 0.00 0.00 176.35 174.04 2ju5 s GLN 22 N -1.57 2.94 0.22 1.98 -0.21 -1.26 -5.06 119.66 116.70 2ju5 s GLN 22 Ca 0.46 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 2ju5 s GLN 22 Cb -0.34 -4.02 -0.08 0.00 1.00 0.00 0.00 33.01 29.57 2ju5 s GLN 22 CO 0.44 -0.89 1.02 -1.58 -2.12 0.00 0.00 175.29 172.16 2ju5 s TRP 23 N 1.64 3.77 0.32 0.91 0.51 -1.26 -4.60 118.94 120.22 2ju5 s TRP 23 Ca 0.04 1.77 0.08 0.00 -2.12 0.00 0.00 56.10 55.87 2ju5 s TRP 23 Cb -0.22 -3.14 -0.06 0.00 -0.81 0.00 0.00 33.47 29.24 2ju5 s TRP 23 CO 0.08 -0.09 -0.06 -1.21 -0.51 0.00 0.00 176.95 175.16 2ju5 s GLU 24 N -0.87 1.69 0.69 4.98 2.02 -1.01 -5.06 118.70 121.13 2ju5 s GLU 24 Ca 0.45 -1.88 -0.11 0.00 0.02 0.00 0.00 54.97 53.45 2ju5 s GLU 24 Cb -0.28 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.57 2ju5 s GLU 24 CO 0.35 0.06 1.08 -1.54 0.02 0.00 0.00 175.26 175.23 2ju5 s SER 25 N -3.53 5.58 0.15 -0.19 1.04 -1.26 -4.44 113.70 111.04 2ju5 s SER 25 Ca 0.31 1.17 -0.14 0.00 0.48 0.00 0.00 55.95 57.78 2ju5 s SER 25 Cb 0.04 -2.01 0.02 0.00 0.10 0.00 0.00 66.02 64.17 2ju5 s SER 25 CO 0.14 -1.26 1.67 0.22 0.98 0.00 0.00 173.24 174.99 2ju5 h TYR 26 N -0.59 0.78 -0.56 5.02 3.20 -1.94 0.45 116.97 123.33 2ju5 h TYR 26 Ca -0.45 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.25 2ju5 h TYR 26 Cb 1.24 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2ju5 h TYR 26 CO 0.53 0.69 -0.02 0.00 -1.64 0.00 0.00 178.16 177.72 2ju5 h ALA 27 N 1.00 0.91 -0.37 1.82 0.00 -2.00 -2.70 119.26 117.91 2ju5 h ALA 27 Ca 0.15 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2ju5 h ALA 27 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ju5 h ALA 27 CO -0.00 0.64 -0.39 0.93 0.00 0.00 0.00 179.25 180.43 2ju5 h GLU 28 N 0.89 0.91 -0.35 0.00 5.08 -1.83 -2.63 114.58 116.65 2ju5 h GLU 28 Ca 0.16 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2ju5 h GLU 28 Cb 0.55 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2ju5 h GLU 28 CO 0.03 1.13 0.17 0.00 -1.00 0.00 0.00 179.01 179.34 2ju5 h ALA 29 N 0.81 0.43 -0.53 3.43 0.00 0.09 -1.21 119.26 122.27 2ju5 h ALA 29 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ju5 h ALA 29 Cb 0.98 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ju5 h ALA 29 CO 0.09 -0.21 0.08 -0.07 0.00 0.00 0.00 179.25 179.15 2ju5 h LEU 30 N 0.35 0.85 -0.53 0.00 3.38 -1.49 0.92 115.31 118.79 2ju5 h LEU 30 Ca 0.15 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb 0.08 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2ju5 h LEU 30 CO -0.12 0.90 0.25 -0.33 0.09 0.00 0.00 178.44 179.23 2ju5 h GLU 31 N 0.77 0.47 -0.35 1.13 5.08 -1.07 0.39 114.58 121.00 2ju5 h GLU 31 Ca 0.16 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2ju5 h GLU 31 Cb 0.41 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ju5 h GLU 31 CO 0.01 0.31 -0.08 0.45 -1.00 0.00 0.00 179.01 178.71 2ju5 h HIS 32 N 0.48 0.75 -0.46 4.33 3.86 -0.97 -3.08 115.15 120.06 2ju5 h HIS 32 Ca 0.24 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2ju5 h HIS 32 Cb 0.18 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2ju5 h HIS 32 CO -0.11 0.82 0.10 0.77 0.86 0.00 0.00 177.93 180.37 2ju5 h SER 33 N 0.46 0.64 -0.31 2.45 0.02 0.09 1.96 113.55 118.86 2ju5 h SER 33 Ca 0.09 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 33 Cb 0.58 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2ju5 h SER 33 CO 0.03 0.65 0.21 0.11 -1.14 0.00 0.00 176.83 176.69 2ju5 h LYS 34 N 0.67 0.27 0.02 3.45 1.57 -0.18 1.31 116.57 123.68 2ju5 h LYS 34 Ca 0.15 -0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 58.52 2ju5 h LYS 34 Cb 0.27 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2ju5 h LYS 34 CO -0.00 0.18 -2.35 1.04 -0.57 0.00 0.00 179.45 177.74 2ju5 n GLN 35 N -4.49 0.66 0.02 3.15 6.02 -0.33 -4.57 117.38 117.84 2ju5 n GLN 35 Ca 0.03 0.20 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 2ju5 n GLN 35 Cb 0.18 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 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 -3.50 0.57 -0.31 1.08 8.00 0.65 -4.97 116.55 118.07 2ju5 n ASP 36 Ca -0.44 -0.24 -0.04 0.00 0.71 0.00 0.00 54.79 54.78 2ju5 n ASP 36 Cb 0.97 1.00 -0.02 0.00 -0.02 0.00 0.00 41.12 43.06 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 -2.00 0.00 -2.40 1.24 8.25 0.45 -4.96 115.22 115.80 2ju5 n HIS 37 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2ju5 n HIS 37 Cb 0.45 -1.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.99 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 -1.80 4.45 0.66 -0.41 1.02 -1.26 -4.88 119.74 117.52 2ju5 s LYS 38 Ca 0.00 1.81 -0.17 0.00 0.02 0.00 0.00 55.97 57.62 2ju5 s LYS 38 Cb 0.00 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2ju5 s LYS 38 CO 0.00 -0.21 1.18 -2.30 -0.92 0.00 0.00 175.35 173.10 2ju5 n PRO 39 N 3.53 0.92 -4.41 -1.68 -0.02 -1.26 -4.62 135.00 127.45 2ju5 n PRO 39 Ca 0.08 0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 2ju5 n PRO 39 Cb 0.46 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.52 3.72 -0.29 4.25 1.01 0.11 -1.47 121.20 127.02 2ju5 s ILE 40 Ca 0.80 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 2ju5 s ILE 40 Cb -0.38 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 2ju5 s ILE 40 CO 0.43 0.49 0.10 -0.83 0.00 0.00 0.00 174.94 175.13 2ju5 s GLY 41 N 0.47 1.80 -0.27 6.18 0.00 0.05 -1.57 107.32 113.98 2ju5 s GLY 41 Ca -0.04 -1.36 -0.14 0.00 0.00 0.00 0.00 44.72 43.18 2ju5 s GLY 41 CO 0.03 0.63 0.31 1.08 0.00 0.00 0.00 173.10 175.15 2ju5 s LEU 42 N 1.56 4.04 -0.49 0.66 1.02 -1.03 -0.32 118.68 124.12 2ju5 s LEU 42 Ca 0.04 0.20 -0.20 0.00 0.02 0.00 0.00 54.13 54.20 2ju5 s LEU 42 Cb -0.17 -2.32 0.05 0.00 0.02 0.00 0.00 46.19 43.77 2ju5 s LEU 42 CO 0.04 -0.13 0.64 0.12 0.02 0.00 0.00 176.35 177.04 2ju5 s PHE 43 N 1.89 3.04 -0.27 0.29 5.36 0.34 -3.17 117.98 125.45 2ju5 s PHE 43 Ca 0.12 -0.38 -0.16 0.00 -0.96 0.00 0.00 56.93 55.56 2ju5 s PHE 43 Cb -0.16 -3.50 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 2ju5 s PHE 43 CO 0.10 -1.00 0.41 -0.06 -1.46 0.00 0.00 175.22 173.20 2ju5 s PHE 44 N 2.75 3.25 0.22 10.12 0.40 -0.98 -0.74 117.98 133.00 2ju5 s PHE 44 Ca 0.18 0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2ju5 s PHE 44 Cb -0.17 -2.61 0.02 0.00 0.51 0.00 0.00 43.02 40.77 2ju5 s PHE 44 CO 0.14 -0.24 0.40 0.25 0.70 0.00 0.00 175.22 176.46 2ju5 n THR 45 N 5.13 0.00 -3.67 0.64 -2.24 -0.87 -2.86 114.28 110.41 2ju5 n THR 45 Ca -0.07 -0.77 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 2ju5 n THR 45 Cb 0.50 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.25 1.53 0.38 3.38 0.00 -1.26 -0.38 107.32 108.73 2ju5 s GLY 46 Ca 0.12 -2.47 0.09 0.00 0.00 0.00 0.00 44.72 42.47 2ju5 s GLY 46 CO 0.09 1.64 1.94 1.76 0.00 0.00 0.00 173.10 178.53 2ju5 h SER 47 N 6.78 0.56 -0.01 1.64 0.02 -1.87 -0.48 113.55 120.18 2ju5 h SER 47 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 47 Cb 0.93 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2ju5 h SER 47 CO 0.44 0.34 -0.32 0.47 -1.14 0.00 0.00 176.83 176.62 2ju5 n ASP 48 N -4.49 1.91 0.00 3.07 8.00 -1.26 -4.73 116.55 119.05 2ju5 n ASP 48 Ca 0.12 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.17 2ju5 n ASP 48 Cb 0.34 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 0.11 0.00 -3.27 1.24 4.27 -1.13 -4.88 117.44 113.78 2ju5 n TRP 49 Ca 0.08 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 2ju5 n TRP 49 Cb 0.40 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.27 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 8.38 0.60 -0.01 0.00 4.05 -1.96 -3.00 114.93 122.99 2ju5 h MET 51 Ca -0.29 -0.83 -0.00 0.00 -0.28 0.00 0.00 59.70 58.30 2ju5 h MET 51 Cb 1.13 0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 32.21 2ju5 h MET 51 CO 0.74 1.38 0.01 -1.49 0.23 0.00 0.00 176.91 177.78 2ju5 h TRP 52 N 0.23 0.01 -0.31 1.39 6.55 -1.93 -0.39 115.95 121.51 2ju5 h TRP 52 Ca -0.19 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.53 2ju5 h TRP 52 Cb 1.93 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 30.22 2ju5 h TRP 52 CO 0.12 0.01 -0.26 0.00 -1.05 0.00 0.00 178.44 177.26 2ju5 h ILE 54 N 0.47 1.16 -0.39 0.00 2.04 -1.02 0.18 117.51 119.95 2ju5 h ILE 54 Ca 0.05 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2ju5 h ILE 54 Cb 0.82 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2ju5 h ILE 54 CO 0.07 0.17 0.22 0.11 0.00 0.00 0.00 178.15 178.72 2ju5 h LYS 55 N 0.76 0.54 -0.55 2.37 1.79 -0.88 1.75 116.57 122.35 2ju5 h LYS 55 Ca 0.20 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2ju5 h LYS 55 Cb -0.03 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 2ju5 h LYS 55 CO -0.04 0.42 0.28 1.98 -1.08 0.00 0.00 179.45 181.01 2ju5 h MET 56 N 0.50 0.78 -0.09 3.15 4.05 -0.46 0.82 114.93 123.69 2ju5 h MET 56 Ca 0.14 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2ju5 h MET 56 Cb 0.03 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2ju5 h MET 56 CO -0.02 0.63 -0.00 0.37 0.23 0.00 0.00 176.91 178.11 2ju5 h GLN 57 N 0.73 0.15 -0.29 0.39 4.15 -0.20 0.38 115.11 120.43 2ju5 h GLN 57 Ca 0.19 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.39 2ju5 h GLN 57 Cb 0.09 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2ju5 h GLN 57 CO -0.03 0.42 -0.48 -0.44 -1.93 0.00 0.00 178.83 176.38 2ju5 h ASP 58 N -0.13 0.87 0.71 -0.69 3.32 0.29 -0.95 116.42 119.84 2ju5 h ASP 58 Ca 0.02 -0.43 -0.20 0.00 0.02 0.00 0.00 57.03 56.44 2ju5 h ASP 58 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2ju5 h ASP 58 CO 0.00 1.20 -1.41 1.56 -1.72 0.00 0.00 179.24 178.87 2ju5 h GLN 59 N 0.63 0.00 0.00 3.56 4.20 0.65 -3.40 115.11 120.75 2ju5 h GLN 59 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 59 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2ju5 h GLN 59 CO 0.10 0.38 -0.72 -0.89 -0.67 0.00 0.00 178.83 177.04 2ju5 n ILE 60 N -2.97 0.77 -0.31 2.54 5.41 0.13 -3.73 119.36 121.19 2ju5 n ILE 60 Ca -0.10 0.15 -0.03 0.00 1.00 0.00 0.00 62.75 63.77 2ju5 n ILE 60 Cb 0.89 -1.64 0.09 0.00 -0.71 0.00 0.00 39.64 38.27 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 -0.17 0.95 -0.87 1.39 -0.00 -1.25 -1.73 115.31 113.63 2ju5 h LEU 61 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2ju5 h LEU 61 Cb 0.64 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2ju5 h LEU 61 CO -0.04 0.67 0.00 0.00 -0.00 0.00 0.00 178.44 179.08 2ju5 n GLN 62 N -4.52 1.58 -2.58 1.13 6.02 -0.38 -4.27 117.38 114.36 2ju5 n GLN 62 Ca 0.10 -0.86 -0.35 0.00 -0.01 0.00 0.00 57.00 55.88 2ju5 n GLN 62 Cb 0.05 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 2ju5 n GLN 62 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ju5 s SER 63 N -1.68 6.57 0.20 1.08 0.15 -0.65 -4.91 113.70 114.46 2ju5 s SER 63 Ca 0.34 1.94 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 2ju5 s SER 63 Cb 0.18 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 62.10 2ju5 s SER 63 CO 0.28 -0.62 1.83 0.28 1.20 0.00 0.00 173.24 176.21 2ju5 h SER 64 N 1.96 0.63 -0.53 5.45 0.02 -1.91 -1.37 113.55 117.80 2ju5 h SER 64 Ca -0.49 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 2ju5 h SER 64 Cb 1.21 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2ju5 h SER 64 CO 0.60 0.43 0.19 -0.33 -1.14 0.00 0.00 176.83 176.59 2ju5 h GLU 65 N 0.76 0.80 -0.37 3.45 3.07 -1.91 -0.82 114.58 119.56 2ju5 h GLU 65 Ca 0.27 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 2ju5 h GLU 65 Cb 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2ju5 h GLU 65 CO -0.12 0.72 -0.08 0.35 -1.40 0.00 0.00 179.01 178.47 2ju5 h PHE 66 N 0.72 0.80 -0.40 4.33 3.57 -1.71 -0.74 116.94 123.51 2ju5 h PHE 66 Ca 0.17 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2ju5 h PHE 66 Cb 0.23 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2ju5 h PHE 66 CO 0.01 0.85 0.20 0.87 -2.23 0.00 0.00 178.31 178.02 2ju5 h LYS 67 N 0.52 0.57 -0.26 1.11 1.57 -1.14 0.56 116.57 119.51 2ju5 h LYS 67 Ca 0.10 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2ju5 h LYS 67 Cb 0.59 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2ju5 h LYS 67 CO 0.04 0.49 0.06 1.25 -0.57 0.00 0.00 179.45 180.72 2ju5 h HIS 68 N 0.51 0.43 -0.17 -1.35 2.76 -1.10 0.51 115.15 116.73 2ju5 h HIS 68 Ca 0.14 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2ju5 h HIS 68 Cb 0.09 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2ju5 h HIS 68 CO -0.02 0.49 0.09 0.35 -1.30 0.00 0.00 177.93 177.54 2ju5 h PHE 69 N 0.24 0.24 -0.28 5.26 3.57 -0.90 -2.47 116.94 122.60 2ju5 h PHE 69 Ca 0.08 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 69 Cb 0.28 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2ju5 h PHE 69 CO 0.01 0.24 -0.36 0.00 -2.23 0.00 0.00 178.31 175.98 2ju5 h ALA 70 N 0.97 0.85 -0.38 2.41 0.00 0.27 0.24 119.26 123.62 2ju5 h ALA 70 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2ju5 h ALA 70 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ju5 h ALA 70 CO -0.01 0.64 -0.14 0.78 0.00 0.00 0.00 179.25 180.52 2ju5 h GLY 71 N 1.01 0.73 0.51 0.00 0.00 0.08 0.46 103.07 105.87 2ju5 h GLY 71 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 47.33 46.56 2ju5 h GLY 71 CO 0.07 0.51 -1.37 -2.08 0.00 0.00 0.00 176.54 173.68 2ju5 h VAL 72 N 0.61 1.04 -0.01 4.60 2.07 -1.35 -3.42 116.25 119.80 2ju5 h VAL 72 Ca 0.10 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2ju5 h VAL 72 Cb 0.60 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2ju5 h VAL 72 CO 0.04 0.68 -0.26 1.41 0.02 0.00 0.00 177.57 179.46 2ju5 n HIS 73 N -3.96 0.00 -4.19 1.57 -0.00 0.83 -5.07 115.22 104.40 2ju5 n HIS 73 Ca -0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.35 2ju5 n HIS 73 Cb 0.88 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.77 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 -1.80 1.27 -0.19 2.41 1.02 0.15 -4.14 118.68 117.40 2ju5 s LEU 74 Ca 0.11 -1.36 -0.02 0.00 0.02 0.00 0.00 54.13 52.89 2ju5 s LEU 74 Cb 0.11 0.36 -0.00 0.00 0.02 0.00 0.00 46.19 46.68 2ju5 s LEU 74 CO 0.33 -0.82 -0.11 -1.00 0.02 0.00 0.00 176.35 174.77 2ju5 s HIS 75 N -4.14 2.87 -0.15 0.29 3.76 -0.54 -4.53 115.29 112.85 2ju5 s HIS 75 Ca 0.36 -1.07 -0.08 0.00 -0.15 0.00 0.00 55.06 54.12 2ju5 s HIS 75 Cb 0.07 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2ju5 s HIS 75 CO 0.10 -0.55 0.13 1.41 -0.85 0.00 0.00 174.74 174.98 2ju5 s MET 76 N 1.18 3.75 -0.09 1.40 1.75 -1.26 -0.77 119.30 125.26 2ju5 s MET 76 Ca 0.02 -0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 2ju5 s MET 76 Cb -0.14 -3.26 0.01 0.00 2.84 0.00 0.00 34.83 34.27 2ju5 s MET 76 CO -0.04 0.56 -0.19 0.08 -0.65 0.00 0.00 175.02 174.79 2ju5 s VAL 77 N -0.40 1.64 -0.20 10.11 1.01 0.57 -2.42 120.40 130.71 2ju5 s VAL 77 Ca 0.11 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2ju5 s VAL 77 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2ju5 s VAL 77 CO 0.01 0.47 0.31 -0.70 0.00 0.00 0.00 175.10 175.19 2ju5 s GLU 78 N 0.52 4.17 -0.37 2.72 2.12 -1.26 -0.51 118.70 126.08 2ju5 s GLU 78 Ca -0.16 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.22 2ju5 s GLU 78 Cb -0.17 -3.51 0.11 0.00 0.26 0.00 0.00 34.13 30.82 2ju5 s GLU 78 CO 0.06 0.05 0.15 0.08 -0.54 0.00 0.00 175.26 175.07 2ju5 s VAL 79 N 1.04 1.35 -0.01 3.70 1.01 0.08 -4.90 120.40 122.68 2ju5 s VAL 79 Ca 0.15 -2.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.07 2ju5 s VAL 79 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2ju5 s VAL 79 CO 0.06 -0.75 0.07 -0.62 0.00 0.00 0.00 175.10 173.86 2ju5 s ASP 80 N 0.95 5.62 -0.61 3.32 2.15 -1.26 -2.05 116.67 124.80 2ju5 s ASP 80 Ca 0.13 0.14 0.06 0.00 0.43 0.00 0.00 52.55 53.31 2ju5 s ASP 80 Cb -0.21 -1.61 0.21 0.00 -0.30 0.00 0.00 42.92 41.01 2ju5 s ASP 80 CO -0.12 0.28 0.56 0.49 -0.17 0.00 0.00 175.17 176.22 2ju5 n PHE 81 N 1.28 2.40 -1.70 -5.34 3.72 0.49 -4.95 117.46 113.35 2ju5 n PHE 81 Ca -0.14 -4.04 -0.31 0.00 -0.05 0.00 0.00 57.45 52.92 2ju5 n PHE 81 Cb 0.53 -0.45 0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ju5 s PRO 82 N -1.57 3.07 0.04 -1.08 0.04 -1.26 -4.45 135.00 129.79 2ju5 s PRO 82 Ca 0.32 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2ju5 s PRO 82 Cb 0.06 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 2ju5 s PRO 82 CO -0.11 -0.96 1.23 1.96 0.04 0.00 0.00 177.00 179.15 2ju5 h GLN 83 N -0.61 0.51 -4.35 4.56 1.08 -1.96 -3.37 115.11 110.96 2ju5 h GLN 83 Ca -0.44 -0.42 -0.74 0.00 -1.45 0.00 0.00 58.65 55.61 2ju5 h GLN 83 Cb 1.21 0.09 -0.22 0.00 -0.05 0.00 0.00 27.48 28.51 2ju5 h GLN 83 CO 0.59 1.05 -0.10 0.21 -0.95 0.00 0.00 178.83 179.63 2ju5 s LYS 84 N -3.67 3.01 -0.13 1.46 2.20 -1.26 -5.03 119.74 116.32 2ju5 s LYS 84 Ca -0.13 -1.51 -0.16 0.00 -0.36 0.00 0.00 55.97 53.81 2ju5 s LYS 84 Cb 0.05 -4.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 2ju5 s LYS 84 CO 0.82 -1.37 0.38 1.21 -0.36 0.00 0.00 175.35 176.03 2ju5 s ASN 85 N 3.48 6.56 -0.03 1.43 3.84 -1.26 -4.94 114.94 124.02 2ju5 s ASN 85 Ca 0.06 0.66 0.05 0.00 0.21 0.00 0.00 52.86 53.85 2ju5 s ASN 85 Cb -0.27 -2.23 0.07 0.00 -0.55 0.00 0.00 41.25 38.27 2ju5 s ASN 85 CO 0.05 0.06 1.02 1.41 -2.79 0.00 0.00 177.10 176.85 2ju5 n HIS 86 N 3.54 0.00 -2.99 0.43 8.25 -1.26 -5.08 115.22 118.11 2ju5 n HIS 86 Ca -0.10 -0.27 -0.33 0.00 -0.26 0.00 0.00 57.72 56.77 2ju5 n HIS 86 Cb 0.52 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.76 4.10 0.66 -0.41 1.11 -1.26 -5.05 119.66 118.05 2ju5 s GLN 87 Ca 0.08 0.87 -0.14 0.00 0.01 0.00 0.00 55.36 56.18 2ju5 s GLN 87 Cb 0.07 -2.32 -0.00 0.00 -1.01 0.00 0.00 33.01 29.75 2ju5 s GLN 87 CO 0.01 0.07 1.10 -1.25 0.01 0.00 0.00 175.29 175.22 2ju5 s PRO 88 N -3.09 2.84 0.21 2.91 0.04 -1.26 -4.79 135.00 131.86 2ju5 s PRO 88 Ca 0.58 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2ju5 s PRO 88 Cb -0.10 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.76 2ju5 s PRO 88 CO 0.16 -1.21 1.67 0.93 0.04 0.00 0.00 177.00 178.59 2ju5 h GLU 89 N -0.05 0.12 -0.94 4.56 5.08 -1.99 -0.94 114.58 120.41 2ju5 h GLU 89 Ca -0.46 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2ju5 h GLU 89 Cb 1.24 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2ju5 h GLU 89 CO 0.54 0.08 0.61 0.93 -1.00 0.00 0.00 179.01 180.18 2ju5 h GLU 90 N 0.12 1.08 -0.32 2.33 5.08 -2.00 0.03 114.58 120.91 2ju5 h GLU 90 Ca 0.31 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 2ju5 h GLU 90 Cb 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 90 CO -0.51 0.72 -0.44 0.37 -1.00 0.00 0.00 179.01 178.15 2ju5 h GLN 91 N 1.11 0.81 -0.39 2.33 4.15 -1.65 -2.33 115.11 119.14 2ju5 h GLN 91 Ca 0.40 -0.45 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 91 Cb 0.14 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2ju5 h GLN 91 CO -0.15 1.08 -0.07 0.00 -1.93 0.00 0.00 178.83 177.77 2ju5 h ARG 92 N 0.65 0.74 -0.36 1.69 3.08 -0.32 -0.04 114.38 119.82 2ju5 h ARG 92 Ca 0.04 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 2ju5 h ARG 92 Cb 1.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2ju5 h ARG 92 CO 0.10 0.87 0.17 1.96 -1.07 0.00 0.00 179.97 182.00 2ju5 h GLN 93 N 0.56 0.52 -0.17 0.04 4.20 -1.01 -0.04 115.11 119.20 2ju5 h GLN 93 Ca 0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2ju5 h GLN 93 Cb 0.58 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2ju5 h GLN 93 CO 0.03 0.47 0.08 -0.22 -0.67 0.00 0.00 178.83 178.53 2ju5 h LYS 94 N 0.44 0.25 -0.89 1.46 3.64 -1.36 -0.42 116.57 119.69 2ju5 h LYS 94 Ca 0.12 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2ju5 h LYS 94 Cb 0.12 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2ju5 h LYS 94 CO -0.02 0.29 0.58 -0.97 -2.27 0.00 0.00 179.45 177.06 2ju5 h ASN 95 N 0.16 0.99 -0.66 4.20 -0.73 -0.80 0.91 115.58 119.64 2ju5 h ASN 95 Ca 0.06 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.13 2ju5 h ASN 95 Cb 0.12 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 2ju5 h ASN 95 CO -0.01 0.69 0.08 1.56 -0.37 0.00 0.00 177.43 179.39 2ju5 h GLN 96 N 1.16 1.11 -0.53 6.67 1.08 -0.74 -1.10 115.11 122.76 2ju5 h GLN 96 Ca 0.34 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2ju5 h GLN 96 Cb -0.05 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 2ju5 h GLN 96 CO -0.10 1.03 0.18 1.49 -0.95 0.00 0.00 178.83 180.47 2ju5 h GLU 97 N 1.03 0.81 -0.64 1.46 4.81 -0.18 -2.12 114.58 119.76 2ju5 h GLU 97 Ca 0.20 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2ju5 h GLU 97 Cb 0.47 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2ju5 h GLU 97 CO 0.02 0.74 0.16 1.25 -0.73 0.00 0.00 179.01 180.44 2ju5 h LEU 98 N 0.72 0.97 -0.89 1.64 5.85 -0.62 0.47 115.31 123.45 2ju5 h LEU 98 Ca 0.17 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2ju5 h LEU 98 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2ju5 h LEU 98 CO -0.01 0.95 0.56 0.50 -0.34 0.00 0.00 178.44 180.10 2ju5 h LYS 99 N 0.94 1.19 0.04 1.25 3.64 -1.00 0.56 116.57 123.19 2ju5 h LYS 99 Ca 0.20 -0.09 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 2ju5 h LYS 99 Cb 0.36 -0.26 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2ju5 h LYS 99 CO 0.00 0.81 -1.07 0.00 -2.27 0.00 0.00 179.45 176.92 2ju5 h ALA 100 N 1.31 0.18 -0.37 5.00 0.00 -1.08 0.64 119.26 124.93 2ju5 h ALA 100 Ca 0.32 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ju5 h ALA 100 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ju5 h ALA 100 CO -0.06 0.76 0.23 0.37 0.00 0.00 0.00 179.25 180.54 2ju5 h GLN 101 N 0.28 0.50 -0.20 0.00 4.15 0.48 -2.25 115.11 118.07 2ju5 h GLN 101 Ca -0.13 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2ju5 h GLN 101 Cb 1.73 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.31 2ju5 h GLN 101 CO 0.20 0.36 0.00 0.66 -1.93 0.00 0.00 178.83 178.12 2ju5 n TYR 102 N -4.80 0.26 -3.83 3.99 4.02 0.14 -4.93 117.16 112.00 2ju5 n TYR 102 Ca -0.00 -0.13 -0.23 0.00 -0.01 0.00 0.00 57.90 57.53 2ju5 n TYR 102 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ju5 n LYS 103 N 0.36 -4.11 -3.22 -0.72 5.02 -0.85 -4.93 118.16 109.71 2ju5 n LYS 103 Ca 0.15 0.51 -0.39 0.00 -2.02 0.00 0.00 58.31 56.57 2ju5 n LYS 103 Cb 0.32 -4.86 -0.06 0.00 -0.02 0.00 0.00 35.03 30.41 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 -3.81 5.12 0.00 -0.18 1.01 0.18 -4.91 120.40 117.81 2ju5 s VAL 104 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2ju5 s VAL 104 Cb -0.01 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2ju5 s VAL 104 CO 0.85 0.24 0.00 0.35 0.00 0.00 0.00 175.10 176.54 2ju5 n THR 105 N 4.06 0.00 -4.21 3.92 -2.24 -1.26 -4.80 114.28 109.75 2ju5 n THR 105 Ca -0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 2ju5 n THR 105 Cb 0.51 -0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.03 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 -4.11 1.86 0.12 3.38 0.00 -1.26 -5.13 107.32 102.17 2ju5 s GLY 106 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.65 2ju5 s GLY 106 CO 0.00 -1.09 -0.15 -1.36 0.00 0.00 0.00 173.10 170.50 2ju5 s PHE 107 N -1.23 1.45 0.31 1.90 0.08 -1.26 -4.12 117.98 115.11 2ju5 s PHE 107 Ca 0.23 -0.52 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 2ju5 s PHE 107 Cb -0.11 -0.77 -0.10 0.00 -0.57 0.00 0.00 43.02 41.47 2ju5 s PHE 107 CO 0.15 0.15 0.94 -1.25 -0.10 0.00 0.00 175.22 175.12 2ju5 s PRO 108 N -2.46 4.62 -0.03 0.24 0.04 -1.26 -4.80 135.00 131.35 2ju5 s PRO 108 Ca 0.08 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 2ju5 s PRO 108 Cb -0.06 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.64 2ju5 s PRO 108 CO 0.03 0.31 0.02 -2.00 0.04 0.00 0.00 177.00 175.40 2ju5 s GLU 109 N -1.94 0.12 -0.20 4.56 2.12 -1.13 -3.93 118.70 118.30 2ju5 s GLU 109 Ca 0.49 0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.95 2ju5 s GLU 109 Cb -0.20 -0.39 -0.00 0.00 0.26 0.00 0.00 34.13 33.80 2ju5 s GLU 109 CO 0.25 -0.17 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.54 2ju5 s LEU 110 N 1.16 2.73 -0.12 2.70 0.20 0.21 -2.33 118.68 123.23 2ju5 s LEU 110 Ca -0.08 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.33 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 -0.02 0.02 -0.17 0.68 -0.29 0.00 0.00 176.35 176.57 2ju5 s VAL 111 N 1.22 2.72 -0.21 1.68 -7.23 -1.19 -0.43 120.40 116.96 2ju5 s VAL 111 Ca 0.02 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2ju5 s VAL 111 Cb -0.14 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 2ju5 s VAL 111 CO -0.03 0.54 0.18 -0.36 -0.31 0.00 0.00 175.10 175.11 2ju5 s PHE 112 N 0.33 3.38 0.11 2.82 0.08 0.37 -2.48 117.98 122.60 2ju5 s PHE 112 Ca -0.13 0.35 0.04 0.00 0.12 0.00 0.00 56.93 57.30 2ju5 s PHE 112 Cb -0.17 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2ju5 s PHE 112 CO 0.07 0.20 -0.09 0.96 -0.10 0.00 0.00 175.22 176.25 2ju5 s ILE 113 N 0.65 0.97 0.58 0.64 -4.36 -0.61 -0.86 121.20 118.21 2ju5 s ILE 113 Ca 0.10 -1.84 -0.02 0.00 -0.26 0.00 0.00 60.65 58.63 2ju5 s ILE 113 Cb -0.12 -1.59 0.12 0.00 1.25 0.00 0.00 42.46 42.12 2ju5 s ILE 113 CO 0.01 -0.68 0.80 -0.67 0.24 0.00 0.00 174.94 174.64 2ju5 n ASP 114 N 0.19 0.90 0.07 4.36 2.03 -0.08 0.09 116.55 124.11 2ju5 n ASP 114 Ca -0.13 -1.80 0.10 0.00 0.52 0.00 0.00 54.79 53.47 2ju5 n ASP 114 Cb 0.59 -0.53 0.42 0.00 -0.72 0.00 0.00 41.12 40.88 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ju5 n ALA 115 N -3.03 1.71 1.15 -1.67 0.00 -1.26 -1.42 120.51 115.99 2ju5 n ALA 115 Ca -0.13 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2ju5 n ALA 115 Cb 0.45 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.91 1.80 -0.71 0.00 1.02 -1.26 -4.80 120.64 114.78 2ju5 n GLU 116 Ca 0.03 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 2ju5 n GLU 116 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.32 0.62 3.75 0.62 0.00 -0.51 -5.04 105.19 105.95 2ju5 n GLY 117 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.70 4.62 -0.18 1.61 1.02 -1.26 -4.75 119.74 120.11 2ju5 s LYS 118 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.95 2ju5 s LYS 118 Cb 0.00 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2ju5 s LYS 118 CO 0.00 0.40 1.00 -1.14 -0.92 0.00 0.00 175.35 174.69 2ju5 s GLN 119 N -0.59 4.32 -0.12 1.68 0.74 -1.26 -0.90 119.66 123.53 2ju5 s GLN 119 Ca 0.40 1.32 0.15 0.00 0.05 0.00 0.00 55.36 57.27 2ju5 s GLN 119 Cb -0.23 -3.59 -0.24 0.00 1.10 0.00 0.00 33.01 30.05 2ju5 s GLN 119 CO 0.27 -0.47 0.37 1.28 -0.55 0.00 0.00 175.29 176.19 2ju5 n LEU 120 N 5.68 0.47 -3.59 3.68 4.32 -0.04 -4.99 117.00 122.52 2ju5 n LEU 120 Ca 0.10 0.21 0.02 0.00 -0.02 0.00 0.00 56.01 56.32 2ju5 n LEU 120 Cb 0.47 0.32 -0.01 0.00 -1.62 0.00 0.00 43.42 42.59 2ju5 n LEU 120 CO 0.51 0.45 1.13 0.00 -1.22 0.00 0.00 177.39 178.26 2ju5 s ALA 121 N -2.55 -2.33 -0.08 -1.18 0.00 -1.22 -4.66 121.76 109.74 2ju5 s ALA 121 Ca -0.07 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 2ju5 s ALA 121 Cb 0.07 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2ju5 s ALA 121 CO 0.83 -0.98 0.36 -0.98 0.00 0.00 0.00 175.76 174.98 2ju5 s ARG 122 N -2.24 0.56 0.07 0.00 1.70 -1.26 -0.47 118.95 117.31 2ju5 s ARG 122 Ca 0.14 0.19 -0.07 0.00 -0.47 0.00 0.00 55.73 55.52 2ju5 s ARG 122 Cb 0.05 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2ju5 s ARG 122 CO -0.05 -0.12 0.15 -1.64 -1.08 0.00 0.00 175.30 172.56 2ju5 s MET 123 N -0.53 0.77 0.00 3.89 -1.94 0.43 -5.00 119.30 116.92 2ju5 s MET 123 Ca -0.06 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2ju5 s MET 123 Cb -0.04 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.11 2ju5 s MET 123 CO 0.03 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 2ju5 n GLY 124 N 0.11 5.19 3.71 -0.03 0.00 -1.26 0.67 105.19 113.59 2ju5 n GLY 124 Ca -0.16 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 2.88 3.68 -0.17 1.61 5.36 -1.25 -4.87 117.98 125.21 2ju5 s PHE 125 Ca 0.00 1.71 -0.04 0.00 -0.96 0.00 0.00 56.93 57.64 2ju5 s PHE 125 Cb 0.00 -3.11 0.08 0.00 -0.34 0.00 0.00 43.02 39.65 2ju5 s PHE 125 CO 0.00 0.00 0.21 -1.21 -1.46 0.00 0.00 175.22 172.77 2ju5 s GLU 126 N 0.82 0.16 0.77 10.12 2.02 -1.26 -5.13 118.70 126.20 2ju5 s GLU 126 Ca 0.51 0.32 -0.15 0.00 0.02 0.00 0.00 54.97 55.67 2ju5 s GLU 126 Cb -0.22 -0.94 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 2ju5 s GLU 126 CO 0.28 -0.56 0.54 -2.30 0.02 0.00 0.00 175.26 173.25 2ju5 n PRO 127 N 5.32 0.19 0.00 0.39 -0.02 -1.26 -4.35 135.00 135.27 2ju5 n PRO 127 Ca -0.05 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2ju5 n PRO 127 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.56 1.37 0.00 -1.23 0.00 -1.26 -4.95 105.19 100.68 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 0.04 0.25 -0.02 0.00 -1.26 -4.30 105.19 99.89 2ju5 n GLY 129 Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 0.87 1.00 -0.02 0.00 -1.89 -1.84 103.07 101.20 2ju5 h GLY 130 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2ju5 h GLY 130 CO 0.00 0.46 0.10 0.00 0.00 0.00 0.00 176.54 177.09 2ju5 h ALA 131 N 1.06 0.19 -0.63 3.60 0.00 -1.93 -1.76 119.26 119.78 2ju5 h ALA 131 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2ju5 h ALA 131 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ju5 h ALA 131 CO -0.01 -0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.13 2ju5 h ALA 132 N 1.05 1.18 -0.60 0.00 0.00 -1.73 -2.78 119.26 116.39 2ju5 h ALA 132 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2ju5 h ALA 132 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2ju5 h ALA 132 CO -0.01 0.58 0.19 -0.92 0.00 0.00 0.00 179.25 179.08 2ju5 h TYR 133 N 0.93 0.96 -0.32 0.00 3.20 -0.91 -2.85 116.97 117.98 2ju5 h TYR 133 Ca 0.21 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 2ju5 h TYR 133 Cb 0.24 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2ju5 h TYR 133 CO 0.02 0.79 -0.22 -0.39 -1.64 0.00 0.00 178.16 176.72 2ju5 h VAL 134 N 0.85 1.26 -0.93 1.81 -1.51 -1.18 -2.31 116.25 114.24 2ju5 h VAL 134 Ca 0.19 -1.26 0.02 0.00 -1.23 0.00 0.00 66.70 64.41 2ju5 h VAL 134 Cb 0.28 1.26 -0.05 0.00 -2.13 0.00 0.00 31.29 30.65 2ju5 h VAL 134 CO -0.01 0.41 0.61 -1.28 -1.23 0.00 0.00 177.57 176.08 2ju5 h SER 135 N 0.54 1.05 -0.46 4.19 0.87 -1.30 -1.90 113.55 116.53 2ju5 h SER 135 Ca 0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2ju5 h SER 135 Cb 0.67 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2ju5 h SER 135 CO 0.05 0.75 0.16 0.11 -0.53 0.00 0.00 176.83 177.37 2ju5 h LYS 136 N 1.24 0.71 -0.67 2.24 1.57 -1.24 -2.66 116.57 117.76 2ju5 h LYS 136 Ca 0.35 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2ju5 h LYS 136 Cb -0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2ju5 h LYS 136 CO -0.09 0.67 0.16 -0.24 -0.57 0.00 0.00 179.45 179.38 2ju5 h VAL 137 N 0.61 1.26 -0.58 0.50 3.04 -1.11 -2.00 116.25 117.97 2ju5 h VAL 137 Ca 0.15 -0.95 0.02 0.00 -1.01 0.00 0.00 66.70 64.91 2ju5 h VAL 137 Cb 0.25 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 2ju5 h VAL 137 CO -0.01 0.36 0.36 0.11 -1.01 0.00 0.00 177.57 177.38 2ju5 h LYS 138 N 1.02 0.69 -0.44 4.17 1.57 -1.16 -0.51 116.57 121.90 2ju5 h LYS 138 Ca 0.21 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2ju5 h LYS 138 Cb 0.36 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2ju5 h LYS 138 CO 0.00 0.45 -0.18 0.66 -0.57 0.00 0.00 179.45 179.82 2ju5 h SER 139 N 0.71 0.85 -0.61 0.86 4.64 -1.25 -0.94 113.55 117.81 2ju5 h SER 139 Ca 0.23 -0.29 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 2ju5 h SER 139 Cb 0.01 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2ju5 h SER 139 CO -0.09 1.02 -0.01 0.00 -0.87 0.00 0.00 176.83 176.88 2ju5 h ALA 140 N 1.05 0.82 -0.01 5.18 0.00 -0.86 -2.95 119.26 122.49 2ju5 h ALA 140 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ju5 h ALA 140 Cb 0.70 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ju5 h ALA 140 CO 0.05 0.68 -0.09 1.28 0.00 0.00 0.00 179.25 181.17 2ju5 n LEU 141 N -4.17 1.29 -3.14 0.00 4.32 -0.25 -4.68 117.00 110.37 2ju5 n LEU 141 Ca 0.03 -0.40 -0.16 0.00 -0.02 0.00 0.00 56.01 55.46 2ju5 n LEU 141 Cb 0.36 -0.05 0.08 0.00 -1.62 0.00 0.00 43.42 42.18 2ju5 n LEU 141 CO 0.45 0.22 0.12 0.29 -1.22 0.00 0.00 177.39 177.25 2ju5 n LYS 142 N -0.16 -6.04 -3.47 3.23 4.76 -0.63 -4.98 118.16 110.87 2ju5 n LYS 142 Ca 0.17 0.74 -0.38 0.00 -2.87 0.00 0.00 58.31 55.96 2ju5 n LYS 142 Cb 0.35 -5.45 -0.09 0.00 -1.84 0.00 0.00 35.03 28.00 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 -5.95 4.07 0.00 -0.35 1.02 -0.45 -5.05 118.68 111.96 2ju5 s LEU 143 Ca 0.11 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.52 2ju5 s LEU 143 Cb -0.05 -2.33 0.14 0.00 0.02 0.00 0.00 46.19 43.98 2ju5 s LEU 143 CO 0.64 -0.10 0.63 -1.14 0.02 0.00 0.00 176.35 176.40