#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 n ARG 2 N 0.00 0.00 -4.32 0.00 0.63 -1.26 -3.90 116.66 107.81 2ju5 n ARG 2 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 2ju5 n ARG 2 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 2ju5 n ARG 2 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2ju5 s ARG 3 N 0.00 1.55 0.05 -0.14 3.52 -1.26 -5.14 118.95 117.53 2ju5 s ARG 3 Ca 0.00 -0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 2ju5 s ARG 3 Cb 0.00 -1.40 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 2ju5 s ARG 3 CO 0.00 -0.08 -0.12 1.03 -0.81 0.00 0.00 175.30 175.33 2ju5 s ARG 4 N 1.02 0.74 -0.07 5.12 0.52 -1.25 -5.15 118.95 119.89 2ju5 s ARG 4 Ca -0.08 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 2ju5 s ARG 4 Cb -0.15 -0.68 0.03 0.00 0.52 0.00 0.00 34.95 34.67 2ju5 s ARG 4 CO -0.00 0.16 0.17 0.00 0.02 0.00 0.00 175.30 175.64 2ju5 s ALA 5 N -1.07 -0.38 0.15 2.13 0.00 -1.26 -4.80 121.76 116.52 2ju5 s ALA 5 Ca -0.03 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 2ju5 s ALA 5 Cb -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2ju5 s ALA 5 CO 0.01 -0.12 1.76 1.03 0.00 0.00 0.00 175.76 178.43 2ju5 h SER 6 N 6.54 0.56 -5.72 0.00 0.87 -1.99 -3.47 113.55 110.33 2ju5 h SER 6 Ca -0.34 -0.09 0.30 0.00 -1.23 0.00 0.00 61.79 60.43 2ju5 h SER 6 Cb 1.17 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 2ju5 h SER 6 CO 0.41 0.49 0.81 -0.83 -0.53 0.00 0.00 176.83 177.17 2ju5 s GLY 7 N -2.79 -0.15 0.38 5.77 0.00 -1.22 -5.01 107.32 104.30 2ju5 s GLY 7 Ca -0.13 0.12 0.09 0.00 0.00 0.00 0.00 44.72 44.80 2ju5 s GLY 7 CO 0.75 3.49 1.89 -2.09 0.00 0.00 0.00 173.10 177.13 2ju5 h GLU 8 N 2.00 0.22 -0.75 2.90 4.81 -2.04 -2.74 114.58 118.98 2ju5 h GLU 8 Ca -0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2ju5 h GLU 8 Cb 1.20 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2ju5 h GLU 8 CO 0.31 0.40 0.39 -0.91 -0.73 0.00 0.00 179.01 178.47 2ju5 h ASN 9 N 0.20 0.95 -3.32 1.04 2.35 -2.02 -3.41 115.58 111.38 2ju5 h ASN 9 Ca 0.04 -0.11 -0.64 0.00 -0.55 0.00 0.00 56.30 55.04 2ju5 h ASN 9 Cb 0.44 -0.24 -0.33 0.00 0.05 0.00 0.00 38.32 38.23 2ju5 h ASN 9 CO 0.03 0.79 -0.86 -0.22 -1.65 0.00 0.00 177.43 175.52 2ju5 s LEU 10 N -9.90 1.97 0.15 1.61 2.96 -1.03 -5.13 118.68 109.30 2ju5 s LEU 10 Ca -0.13 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2ju5 s LEU 10 Cb 0.15 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 2ju5 s LEU 10 CO 0.81 0.11 -0.06 -1.10 -1.32 0.00 0.00 176.35 174.78 2ju5 s GLN 11 N 0.55 1.06 -0.15 1.98 -0.21 -1.26 -3.38 119.66 118.25 2ju5 s GLN 11 Ca -0.15 -1.47 -0.01 0.00 0.02 0.00 0.00 55.36 53.75 2ju5 s GLN 11 Cb -0.17 -0.45 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 2ju5 s GLN 11 CO 0.05 -0.01 -0.12 -0.65 -2.12 0.00 0.00 175.29 172.44 2ju5 s GLN 12 N -3.82 3.34 0.20 2.91 -0.21 -1.26 -5.09 119.66 115.74 2ju5 s GLN 12 Ca 0.19 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.92 2ju5 s GLN 12 Cb 0.04 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 2ju5 s GLN 12 CO 0.01 0.09 -0.05 0.95 -2.12 0.00 0.00 175.29 174.18 2ju5 s THR 13 N 0.66 1.15 -0.41 -0.19 -4.23 -1.26 -5.10 115.64 106.27 2ju5 s THR 13 Ca -0.06 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2ju5 s THR 13 Cb -0.15 -2.16 0.33 0.00 1.34 0.00 0.00 72.50 71.86 2ju5 s THR 13 CO 0.02 -0.49 0.73 -2.11 -0.54 0.00 0.00 174.62 172.23 2ju5 n ARG 14 N -0.35 1.29 0.28 3.99 1.85 -1.26 -4.92 116.66 117.55 2ju5 n ARG 14 Ca -0.07 -3.60 0.17 0.00 -1.00 0.00 0.00 57.85 53.35 2ju5 n ARG 14 Cb 0.62 -1.72 0.70 0.00 -1.05 0.00 0.00 32.46 31.01 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2ju5 h PRO 15 N 3.20 0.00 -4.22 2.89 0.13 -2.06 -3.42 132.00 128.51 2ju5 h PRO 15 Ca 0.10 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.75 2ju5 h PRO 15 Cb 0.88 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.66 2ju5 h PRO 15 CO 0.55 0.02 -0.79 -1.50 -0.23 0.00 0.00 178.00 176.04 2ju5 s ILE 16 N -3.70 0.85 0.00 -3.56 2.07 -1.26 -4.96 121.20 110.64 2ju5 s ILE 16 Ca 0.01 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 2ju5 s ILE 16 Cb 0.09 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.84 2ju5 s ILE 16 CO 0.54 0.31 0.13 0.00 -1.91 0.00 0.00 174.94 174.01 2ju5 n ALA 17 N 4.31 1.14 -0.14 1.50 0.00 -1.26 -4.94 120.51 121.12 2ju5 n ALA 17 Ca -0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 2ju5 n ALA 17 Cb 0.51 -0.01 0.14 0.00 0.00 0.00 0.00 19.45 20.09 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 h ALA 18 N 0.00 1.10 -2.90 0.00 0.00 -1.97 -3.43 119.26 112.06 2ju5 h ALA 18 Ca 0.00 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 2ju5 h ALA 18 Cb 1.01 -0.22 0.09 0.00 0.00 0.00 0.00 17.79 18.67 2ju5 h ALA 18 CO 0.00 0.59 0.75 0.00 0.00 0.00 0.00 179.25 180.58 2ju5 s ALA 19 N -5.11 3.57 0.00 0.00 0.00 -1.26 -4.95 121.76 114.02 2ju5 s ALA 19 Ca -0.10 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2ju5 s ALA 19 Cb 0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2ju5 s ALA 19 CO 0.82 -0.91 0.00 0.09 0.00 0.00 0.00 175.76 175.76 2ju5 n ASN 20 N 0.86 2.86 -4.75 0.00 3.02 -1.26 -5.14 115.26 110.86 2ju5 n ASN 20 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2ju5 n ASN 20 Cb 0.40 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ju5 s LEU 21 N 0.00 4.55 -0.40 3.41 2.96 -1.26 -5.00 118.68 122.93 2ju5 s LEU 21 Ca 0.00 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2ju5 s LEU 21 Cb 0.00 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.13 2ju5 s LEU 21 CO 0.00 -0.09 0.25 -1.10 -1.32 0.00 0.00 176.35 174.09 2ju5 s GLN 22 N -0.85 2.78 0.23 1.98 -0.21 -1.26 -5.07 119.66 117.25 2ju5 s GLN 22 Ca 0.46 -1.23 -0.27 0.00 0.02 0.00 0.00 55.36 54.34 2ju5 s GLN 22 Cb -0.29 -3.81 -0.09 0.00 1.00 0.00 0.00 33.01 29.82 2ju5 s GLN 22 CO 0.36 -0.82 0.86 -1.58 -2.12 0.00 0.00 175.29 171.99 2ju5 s TRP 23 N 1.53 3.88 0.30 0.91 0.51 -1.26 -4.34 118.94 120.48 2ju5 s TRP 23 Ca 0.03 1.75 0.10 0.00 -2.12 0.00 0.00 56.10 55.85 2ju5 s TRP 23 Cb -0.21 -2.86 -0.06 0.00 -0.81 0.00 0.00 33.47 29.53 2ju5 s TRP 23 CO 0.05 0.43 -0.12 -1.21 -0.51 0.00 0.00 176.95 175.59 2ju5 s GLU 24 N -1.38 1.70 0.64 4.98 8.01 0.14 -5.01 118.70 127.77 2ju5 s GLU 24 Ca 0.41 -1.84 -0.10 0.00 0.01 0.00 0.00 54.97 53.45 2ju5 s GLU 24 Cb -0.23 -1.58 -0.01 0.00 -4.31 0.00 0.00 34.13 28.00 2ju5 s GLU 24 CO 0.28 0.18 1.02 -1.54 0.01 0.00 0.00 175.26 175.21 2ju5 s SER 25 N -3.53 5.81 0.15 -0.19 1.04 -1.26 -4.36 113.70 111.37 2ju5 s SER 25 Ca 0.30 1.15 -0.16 0.00 0.48 0.00 0.00 55.95 57.73 2ju5 s SER 25 Cb 0.00 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.03 2ju5 s SER 25 CO 0.15 -1.07 1.79 0.22 0.98 0.00 0.00 173.24 175.31 2ju5 h TYR 26 N -0.39 0.57 -0.39 5.02 3.20 -1.95 0.48 116.97 123.50 2ju5 h TYR 26 Ca -0.45 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.29 2ju5 h TYR 26 Cb 1.23 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2ju5 h TYR 26 CO 0.56 0.39 -0.28 0.00 -1.64 0.00 0.00 178.16 177.19 2ju5 h ALA 27 N 1.13 0.77 -0.29 1.82 0.00 -2.00 -2.78 119.26 117.91 2ju5 h ALA 27 Ca 0.16 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2ju5 h ALA 27 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ju5 h ALA 27 CO -0.03 0.65 -0.49 0.93 0.00 0.00 0.00 179.25 180.32 2ju5 h GLU 28 N 0.71 0.79 -0.50 0.00 4.39 -1.83 -2.57 114.58 115.57 2ju5 h GLU 28 Ca 0.09 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.33 2ju5 h GLU 28 Cb 0.82 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2ju5 h GLU 28 CO 0.07 1.09 0.33 0.00 -1.16 0.00 0.00 179.01 179.34 2ju5 h ALA 29 N 0.82 0.63 -0.64 3.43 0.00 0.04 0.65 119.26 124.19 2ju5 h ALA 29 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ju5 h ALA 29 Cb 1.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2ju5 h ALA 29 CO 0.11 0.07 0.22 -0.07 0.00 0.00 0.00 179.25 179.57 2ju5 h LEU 30 N 0.67 0.92 -0.47 0.00 3.38 -1.48 0.39 115.31 118.71 2ju5 h LEU 30 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ju5 h LEU 30 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2ju5 h LEU 30 CO -0.05 0.87 0.22 -0.33 0.09 0.00 0.00 178.44 179.24 2ju5 h GLU 31 N 0.92 0.69 -0.27 1.13 5.08 -1.01 0.17 114.58 121.29 2ju5 h GLU 31 Ca 0.21 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2ju5 h GLU 31 Cb 0.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ju5 h GLU 31 CO -0.01 0.59 -0.13 0.45 -1.00 0.00 0.00 179.01 178.91 2ju5 h HIS 32 N 0.62 0.65 -0.21 4.33 3.86 -0.51 -3.09 115.15 120.80 2ju5 h HIS 32 Ca 0.16 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2ju5 h HIS 32 Cb 0.14 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2ju5 h HIS 32 CO -0.01 0.81 -0.18 0.77 0.86 0.00 0.00 177.93 180.19 2ju5 h SER 33 N 0.30 0.35 0.16 2.45 0.02 0.00 0.84 113.55 117.67 2ju5 h SER 33 Ca 0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2ju5 h SER 33 Cb 0.64 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ju5 h SER 33 CO 0.04 0.55 -0.09 0.11 -1.14 0.00 0.00 176.83 176.30 2ju5 h LYS 34 N 0.34 0.00 0.03 3.45 1.57 -0.61 1.73 116.57 123.07 2ju5 h LYS 34 Ca 0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.46 2ju5 h LYS 34 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2ju5 h LYS 34 CO 0.03 0.09 -2.22 1.04 -0.57 0.00 0.00 179.45 177.83 2ju5 n GLN 35 N -4.02 0.64 0.02 3.15 1.13 -0.52 -4.56 117.38 113.22 2ju5 n GLN 35 Ca -0.02 0.27 0.11 0.00 -1.94 0.00 0.00 57.00 55.41 2ju5 n GLN 35 Cb 0.18 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.95 2ju5 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2ju5 n ASP 36 N -3.75 0.64 -0.23 1.08 8.00 0.28 -4.97 116.55 117.60 2ju5 n ASP 36 Ca -0.43 -0.37 -0.03 0.00 0.71 0.00 0.00 54.79 54.66 2ju5 n ASP 36 Cb 0.93 0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 42.88 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 -1.83 0.00 -2.68 1.24 8.25 0.59 -4.98 115.22 115.80 2ju5 n HIS 37 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2ju5 n HIS 37 Cb 0.41 -1.42 -0.06 0.00 1.12 0.00 0.00 29.99 30.04 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 -1.61 4.80 0.68 -0.41 1.02 -1.25 -4.88 119.74 118.08 2ju5 s LYS 38 Ca 0.00 1.56 -0.14 0.00 0.02 0.00 0.00 55.97 57.42 2ju5 s LYS 38 Cb 0.00 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2ju5 s LYS 38 CO 0.00 0.43 1.09 -1.25 -0.92 0.00 0.00 175.35 174.70 2ju5 s PRO 39 N -1.18 2.77 -0.11 -1.68 0.04 -1.26 -4.57 135.00 129.02 2ju5 s PRO 39 Ca 0.42 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 2ju5 s PRO 39 Cb -0.27 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ju5 s PRO 39 CO 0.34 -1.25 -0.09 0.42 0.04 0.00 0.00 177.00 176.46 2ju5 s ILE 40 N -2.56 3.46 -0.27 0.56 1.01 0.19 -2.15 121.20 121.44 2ju5 s ILE 40 Ca 0.64 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 2ju5 s ILE 40 Cb -0.18 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 2ju5 s ILE 40 CO 0.45 0.55 0.06 -0.83 0.00 0.00 0.00 174.94 175.17 2ju5 s GLY 41 N -0.13 1.76 -0.28 6.18 0.00 -0.53 -1.03 107.32 113.29 2ju5 s GLY 41 Ca 0.01 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.24 2ju5 s GLY 41 CO 0.03 0.59 0.37 1.08 0.00 0.00 0.00 173.10 175.18 2ju5 s LEU 42 N 1.53 4.07 -0.50 0.66 1.02 -0.98 -0.83 118.68 123.65 2ju5 s LEU 42 Ca 0.04 0.24 -0.20 0.00 0.02 0.00 0.00 54.13 54.23 2ju5 s LEU 42 Cb -0.16 -2.42 0.05 0.00 0.02 0.00 0.00 46.19 43.68 2ju5 s LEU 42 CO 0.02 -0.20 0.65 0.12 0.02 0.00 0.00 176.35 176.96 2ju5 s PHE 43 N 2.07 3.03 -0.25 0.29 5.36 0.10 -3.14 117.98 125.44 2ju5 s PHE 43 Ca 0.15 -0.43 -0.14 0.00 -0.96 0.00 0.00 56.93 55.54 2ju5 s PHE 43 Cb -0.16 -3.54 -0.04 0.00 -0.34 0.00 0.00 43.02 38.94 2ju5 s PHE 43 CO 0.10 -1.03 0.34 -0.06 -1.46 0.00 0.00 175.22 173.11 2ju5 s PHE 44 N 2.75 3.28 0.21 10.12 0.08 -0.93 -0.65 117.98 132.84 2ju5 s PHE 44 Ca 0.17 0.42 -0.05 0.00 0.12 0.00 0.00 56.93 57.59 2ju5 s PHE 44 Cb -0.18 -2.51 0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2ju5 s PHE 44 CO 0.13 -0.13 0.37 0.25 -0.10 0.00 0.00 175.22 175.74 2ju5 n THR 45 N 4.82 0.00 -3.67 0.64 -2.24 -0.92 -2.75 114.28 110.15 2ju5 n THR 45 Ca -0.10 -0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.69 2ju5 n THR 45 Cb 0.51 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.15 1.70 0.39 3.38 0.00 -1.26 -0.13 107.32 109.24 2ju5 s GLY 46 Ca 0.11 -2.67 0.13 0.00 0.00 0.00 0.00 44.72 42.29 2ju5 s GLY 46 CO 0.08 1.60 1.87 1.76 0.00 0.00 0.00 173.10 178.42 2ju5 h SER 47 N 6.45 0.54 -0.02 1.64 0.02 -1.87 0.22 113.55 120.53 2ju5 h SER 47 Ca 0.05 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2ju5 h SER 47 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.48 0.26 -0.29 0.47 -1.14 0.00 0.00 176.83 176.60 2ju5 n ASP 48 N -4.54 2.06 0.00 3.07 8.00 -1.26 -4.69 116.55 119.19 2ju5 n ASP 48 Ca 0.17 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2ju5 n ASP 48 Cb 0.54 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 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 0.25 0.00 -3.20 1.24 4.27 -1.01 -4.87 117.44 114.12 2ju5 n TRP 49 Ca 0.09 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.26 2ju5 n TRP 49 Cb 0.43 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.31 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 8.90 0.81 0.00 0.00 4.05 -1.95 -2.71 114.93 124.04 2ju5 h MET 51 Ca -0.27 -0.48 -0.02 0.00 -0.28 0.00 0.00 59.70 58.65 2ju5 h MET 51 Cb 1.10 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2ju5 h MET 51 CO 0.91 1.11 -0.09 -1.49 0.23 0.00 0.00 176.91 177.58 2ju5 h TRP 52 N 0.58 0.00 -0.35 1.39 4.06 -1.94 -0.79 115.95 118.91 2ju5 h TRP 52 Ca 0.03 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.81 2ju5 h TRP 52 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 2ju5 h TRP 52 CO 0.07 0.09 -0.46 0.00 -3.56 0.00 0.00 178.44 174.59 2ju5 h ILE 54 N 0.73 1.17 -0.40 0.00 2.04 -0.88 0.17 117.51 120.35 2ju5 h ILE 54 Ca 0.04 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2ju5 h ILE 54 Cb 1.06 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2ju5 h ILE 54 CO 0.11 0.18 0.19 0.11 0.00 0.00 0.00 178.15 178.74 2ju5 h LYS 55 N 0.73 0.57 -0.35 2.37 1.79 -1.01 2.18 116.57 122.86 2ju5 h LYS 55 Ca 0.19 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2ju5 h LYS 55 Cb 0.01 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2ju5 h LYS 55 CO -0.03 0.50 0.17 1.98 -1.08 0.00 0.00 179.45 180.99 2ju5 h MET 56 N 0.50 0.49 -0.15 3.15 4.05 -0.78 0.91 114.93 123.11 2ju5 h MET 56 Ca 0.14 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2ju5 h MET 56 Cb 0.12 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 2ju5 h MET 56 CO -0.02 0.44 -0.04 0.37 0.23 0.00 0.00 176.91 177.89 2ju5 h GLN 57 N 0.42 0.29 -0.30 0.39 4.15 -0.41 0.41 115.11 120.07 2ju5 h GLN 57 Ca 0.12 -0.11 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2ju5 h GLN 57 Cb 0.10 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2ju5 h GLN 57 CO -0.02 0.58 -0.39 0.22 -1.93 0.00 0.00 178.83 177.29 2ju5 h ASP 58 N -0.02 0.75 0.58 -0.69 1.82 0.38 -1.51 116.42 117.73 2ju5 h ASP 58 Ca 0.04 -0.34 -0.15 0.00 -0.39 0.00 0.00 57.03 56.18 2ju5 h ASP 58 Cb 0.48 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 2ju5 h ASP 58 CO 0.02 1.06 -1.54 0.00 -1.61 0.00 0.00 179.24 177.16 2ju5 n GLN 59 N -4.04 0.63 -0.01 0.28 6.02 0.31 -4.46 117.38 116.11 2ju5 n GLN 59 Ca -0.02 0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 57.07 2ju5 n GLN 59 Cb 0.52 -1.75 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2ju5 n ILE 60 N -2.78 0.76 -0.32 5.09 5.41 0.14 -3.60 119.36 124.06 2ju5 n ILE 60 Ca -0.11 0.11 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2ju5 n ILE 60 Cb 0.82 -1.66 0.08 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.22 1.05 -0.95 1.39 -0.00 -1.26 -2.15 115.31 113.16 2ju5 h LEU 61 Ca -0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2ju5 h LEU 61 Cb 0.73 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2ju5 h LEU 61 CO -0.05 0.82 0.00 0.00 -0.00 0.00 0.00 178.44 179.20 2ju5 n GLN 62 N -4.41 1.63 -2.73 1.13 6.02 -0.58 -4.30 117.38 114.14 2ju5 n GLN 62 Ca 0.09 -0.94 -0.33 0.00 -0.01 0.00 0.00 57.00 55.80 2ju5 n GLN 62 Cb 0.07 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.60 6.74 0.19 1.08 1.04 -0.81 -4.92 113.70 115.42 2ju5 s SER 63 Ca 0.32 1.77 -0.12 0.00 0.48 0.00 0.00 55.95 58.39 2ju5 s SER 63 Cb 0.17 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.86 2ju5 s SER 63 CO 0.26 -0.50 1.84 0.28 0.98 0.00 0.00 173.24 176.10 2ju5 h SER 64 N 1.78 0.65 -0.37 7.02 0.02 -1.91 -1.24 113.55 119.50 2ju5 h SER 64 Ca -0.49 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2ju5 h SER 64 Cb 1.19 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2ju5 h SER 64 CO 0.60 0.46 0.19 -0.33 -1.14 0.00 0.00 176.83 176.62 2ju5 h GLU 65 N 0.77 0.53 -0.42 3.45 3.07 -1.91 -1.03 114.58 119.05 2ju5 h GLU 65 Ca 0.23 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 2ju5 h GLU 65 Cb -0.04 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2ju5 h GLU 65 CO -0.07 0.45 -0.06 0.35 -1.40 0.00 0.00 179.01 178.28 2ju5 h PHE 66 N 0.47 0.86 -0.63 4.33 3.57 -1.74 -0.99 116.94 122.81 2ju5 h PHE 66 Ca 0.13 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 66 Cb 0.09 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2ju5 h PHE 66 CO -0.02 0.88 0.33 0.87 -2.23 0.00 0.00 178.31 178.14 2ju5 h LYS 67 N 0.60 0.89 -0.22 1.11 1.57 -1.10 0.41 116.57 119.83 2ju5 h LYS 67 Ca 0.11 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2ju5 h LYS 67 Cb 0.57 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2ju5 h LYS 67 CO 0.03 0.69 0.03 1.25 -0.57 0.00 0.00 179.45 180.88 2ju5 h HIS 68 N 0.87 0.39 -0.01 -1.35 2.76 -1.10 0.11 115.15 116.81 2ju5 h HIS 68 Ca 0.22 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2ju5 h HIS 68 Cb 0.07 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 2ju5 h HIS 68 CO -0.01 0.51 0.01 0.35 -1.30 0.00 0.00 177.93 177.49 2ju5 h PHE 69 N 0.16 0.02 -0.40 5.26 3.57 -0.86 -2.52 116.94 122.18 2ju5 h PHE 69 Ca 0.07 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2ju5 h PHE 69 Cb 0.33 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ju5 h PHE 69 CO 0.02 0.10 -0.12 0.00 -2.23 0.00 0.00 178.31 176.08 2ju5 h ALA 70 N 0.92 1.05 -0.46 2.41 0.00 -0.16 0.23 119.26 123.24 2ju5 h ALA 70 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2ju5 h ALA 70 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ju5 h ALA 70 CO -0.00 0.58 -0.06 0.78 0.00 0.00 0.00 179.25 180.55 2ju5 h GLY 71 N 0.97 0.86 0.50 0.00 0.00 -0.90 0.13 103.07 104.64 2ju5 h GLY 71 Ca 0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 47.33 46.59 2ju5 h GLY 71 CO 0.04 0.57 -1.15 -2.08 0.00 0.00 0.00 176.54 173.91 2ju5 h VAL 72 N 0.73 1.19 -0.01 4.60 2.07 -1.26 -3.41 116.25 120.16 2ju5 h VAL 72 Ca 0.13 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2ju5 h VAL 72 Cb 0.53 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2ju5 h VAL 72 CO 0.03 0.67 -0.32 1.41 0.02 0.00 0.00 177.57 179.38 2ju5 n HIS 73 N -4.06 0.00 -4.18 1.57 -0.00 0.79 -5.07 115.22 104.27 2ju5 n HIS 73 Ca -0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.39 2ju5 n HIS 73 Cb 0.83 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.72 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 -1.95 1.52 -0.21 2.41 1.02 0.45 -4.38 118.68 117.54 2ju5 s LEU 74 Ca 0.11 -1.29 -0.03 0.00 0.02 0.00 0.00 54.13 52.94 2ju5 s LEU 74 Cb 0.11 0.31 -0.01 0.00 0.02 0.00 0.00 46.19 46.63 2ju5 s LEU 74 CO 0.37 -0.77 -0.07 -1.00 0.02 0.00 0.00 176.35 174.90 2ju5 s HIS 75 N -4.07 2.92 -0.14 0.29 3.76 -0.91 -4.52 115.29 112.62 2ju5 s HIS 75 Ca 0.31 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.14 2ju5 s HIS 75 Cb 0.07 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 2ju5 s HIS 75 CO 0.07 -0.55 0.11 1.41 -0.85 0.00 0.00 174.74 174.92 2ju5 s MET 76 N 1.36 3.58 -0.07 1.40 1.75 -1.26 -1.45 119.30 124.61 2ju5 s MET 76 Ca 0.04 -0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 2ju5 s MET 76 Cb -0.14 -3.17 0.01 0.00 2.84 0.00 0.00 34.83 34.36 2ju5 s MET 76 CO -0.04 0.61 -0.17 0.08 -0.65 0.00 0.00 175.02 174.86 2ju5 s VAL 77 N -0.57 1.48 -0.18 10.11 1.01 -0.01 -0.69 120.40 131.56 2ju5 s VAL 77 Ca 0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2ju5 s VAL 77 Cb -0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2ju5 s VAL 77 CO 0.02 0.43 0.22 -0.70 0.00 0.00 0.00 175.10 175.07 2ju5 s GLU 78 N 0.46 4.23 -0.34 2.72 2.12 -1.26 -0.72 118.70 125.91 2ju5 s GLU 78 Ca -0.14 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 2ju5 s GLU 78 Cb -0.16 -3.42 0.11 0.00 0.26 0.00 0.00 34.13 30.92 2ju5 s GLU 78 CO 0.05 0.26 0.15 0.08 -0.54 0.00 0.00 175.26 175.27 2ju5 s VAL 79 N 0.43 0.64 0.01 3.70 1.01 0.18 -4.89 120.40 121.47 2ju5 s VAL 79 Ca 0.13 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.57 2ju5 s VAL 79 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2ju5 s VAL 79 CO 0.01 -0.79 0.04 -1.81 0.00 0.00 0.00 175.10 172.56 2ju5 s ASP 80 N 1.38 5.41 -0.63 3.32 1.01 -1.26 -2.17 116.67 123.72 2ju5 s ASP 80 Ca 0.13 0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.50 2ju5 s ASP 80 Cb -0.19 -1.48 0.22 0.00 1.01 0.00 0.00 42.92 42.47 2ju5 s ASP 80 CO -0.18 0.26 0.62 0.49 0.21 0.00 0.00 175.17 176.57 2ju5 n PHE 81 N 1.17 2.94 -1.54 4.23 3.01 0.81 -4.95 117.46 123.13 2ju5 n PHE 81 Ca -0.13 -4.12 -0.31 0.00 1.01 0.00 0.00 57.45 53.90 2ju5 n PHE 81 Cb 0.53 -0.52 0.06 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.87 2.81 0.08 -1.08 0.04 -1.26 -4.44 135.00 129.27 2ju5 s PRO 82 Ca 0.34 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.17 2ju5 s PRO 82 Cb 0.07 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 2ju5 s PRO 82 CO -0.09 -1.19 1.31 1.96 0.04 0.00 0.00 177.00 179.03 2ju5 h GLN 83 N -0.78 0.69 -4.05 4.56 1.08 -1.95 -3.37 115.11 111.28 2ju5 h GLN 83 Ca -0.44 -0.50 -0.76 0.00 -1.45 0.00 0.00 58.65 55.50 2ju5 h GLN 83 Cb 1.22 0.09 -0.25 0.00 -0.05 0.00 0.00 27.48 28.48 2ju5 h GLN 83 CO 0.57 1.12 -0.18 0.21 -0.95 0.00 0.00 178.83 179.60 2ju5 s LYS 84 N -3.89 3.05 -0.13 1.46 2.20 -1.26 -5.04 119.74 116.13 2ju5 s LYS 84 Ca -0.12 -1.91 -0.22 0.00 -0.36 0.00 0.00 55.97 53.36 2ju5 s LYS 84 Cb 0.08 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2ju5 s LYS 84 CO 0.86 -1.30 0.68 1.21 -0.36 0.00 0.00 175.35 176.44 2ju5 s ASN 85 N 3.07 6.86 -0.03 1.43 3.84 -1.26 -4.91 114.94 123.95 2ju5 s ASN 85 Ca 0.07 1.04 0.04 0.00 0.21 0.00 0.00 52.86 54.22 2ju5 s ASN 85 Cb -0.25 -2.39 0.06 0.00 -0.55 0.00 0.00 41.25 38.12 2ju5 s ASN 85 CO -0.00 -0.20 0.88 1.41 -2.79 0.00 0.00 177.10 176.39 2ju5 n HIS 86 N 4.41 0.00 -2.90 0.43 8.25 -1.26 -5.08 115.22 119.08 2ju5 n HIS 86 Ca -0.01 -0.30 -0.37 0.00 -0.26 0.00 0.00 57.72 56.79 2ju5 n HIS 86 Cb 0.50 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.77 4.47 0.65 -0.41 -0.21 -1.26 -5.03 119.66 117.10 2ju5 s GLN 87 Ca 0.06 1.16 -0.17 0.00 0.02 0.00 0.00 55.36 56.43 2ju5 s GLN 87 Cb 0.06 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 2ju5 s GLN 87 CO 0.01 0.32 1.06 -2.30 -2.12 0.00 0.00 175.29 172.26 2ju5 n PRO 88 N 0.62 0.84 -0.23 2.91 -0.02 -1.26 -4.65 135.00 133.22 2ju5 n PRO 88 Ca 0.00 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2ju5 n PRO 88 Cb 0.50 -2.29 0.14 0.00 -0.02 0.00 0.00 33.50 31.83 2ju5 n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2ju5 h GLU 89 N 0.28 0.40 -0.89 -0.52 4.11 -1.98 0.80 114.58 116.78 2ju5 h GLU 89 Ca -0.49 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 58.94 2ju5 h GLU 89 Cb 1.35 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2ju5 h GLU 89 CO 0.50 0.27 0.59 0.93 0.07 0.00 0.00 179.01 181.36 2ju5 h GLU 90 N 0.41 1.13 -0.35 1.06 4.39 -1.99 0.11 114.58 119.34 2ju5 h GLU 90 Ca 0.35 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 2ju5 h GLU 90 Cb 0.49 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2ju5 h GLU 90 CO -0.36 0.75 -0.45 0.37 -1.16 0.00 0.00 179.01 178.16 2ju5 h GLN 91 N 1.16 0.91 -0.47 2.33 4.15 -1.49 -2.30 115.11 119.40 2ju5 h GLN 91 Ca 0.34 -0.51 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 2ju5 h GLN 91 Cb -0.08 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2ju5 h GLN 91 CO -0.08 1.16 0.00 0.00 -1.93 0.00 0.00 178.83 177.98 2ju5 h ARG 92 N 0.72 0.83 -0.41 1.69 3.08 -0.15 -2.08 114.38 118.06 2ju5 h ARG 92 Ca 0.04 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2ju5 h ARG 92 Cb 1.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2ju5 h ARG 92 CO 0.10 0.88 0.13 1.96 -1.07 0.00 0.00 179.97 181.97 2ju5 h GLN 93 N 0.68 0.64 -0.54 0.04 1.08 -0.79 -2.39 115.11 113.84 2ju5 h GLN 93 Ca 0.13 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2ju5 h GLN 93 Cb 0.50 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2ju5 h GLN 93 CO 0.02 0.64 0.32 -0.22 -0.95 0.00 0.00 178.83 178.64 2ju5 h LYS 94 N 0.53 0.73 -0.84 1.46 3.64 -1.35 -1.99 116.57 118.76 2ju5 h LYS 94 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2ju5 h LYS 94 Cb 0.26 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2ju5 h LYS 94 CO -0.00 0.54 0.43 -0.91 -2.27 0.00 0.00 179.45 177.23 2ju5 h ASN 95 N 0.72 1.07 -0.56 4.20 -0.26 -1.26 -0.96 115.58 118.54 2ju5 h ASN 95 Ca 0.19 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 2ju5 h ASN 95 Cb -0.00 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 2ju5 h ASN 95 CO -0.04 0.89 -0.01 1.56 -1.06 0.00 0.00 177.43 178.77 2ju5 h GLN 96 N 1.19 1.02 -0.52 0.81 4.20 -1.11 -0.99 115.11 119.71 2ju5 h GLN 96 Ca 0.29 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2ju5 h GLN 96 Cb 0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2ju5 h GLN 96 CO -0.04 1.00 0.12 0.93 -0.67 0.00 0.00 178.83 180.17 2ju5 h GLU 97 N 0.93 0.83 -0.69 1.46 5.08 -0.88 -2.31 114.58 119.01 2ju5 h GLU 97 Ca 0.16 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2ju5 h GLU 97 Cb 0.56 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2ju5 h GLU 97 CO 0.03 0.80 0.14 1.25 -1.00 0.00 0.00 179.01 180.23 2ju5 h LEU 98 N 0.72 1.07 -1.05 1.33 5.85 -1.01 0.21 115.31 122.43 2ju5 h LEU 98 Ca 0.16 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2ju5 h LEU 98 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2ju5 h LEU 98 CO 0.00 1.04 0.45 0.50 -0.34 0.00 0.00 178.44 180.09 2ju5 h LYS 99 N 1.06 1.11 0.13 1.25 3.64 -0.98 -2.18 116.57 120.59 2ju5 h LYS 99 Ca 0.21 -0.12 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 2ju5 h LYS 99 Cb 0.41 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2ju5 h LYS 99 CO 0.01 0.80 -1.23 0.00 -2.27 0.00 0.00 179.45 176.76 2ju5 h ALA 100 N 1.38 0.08 -0.37 5.00 0.00 -1.07 0.51 119.26 124.79 2ju5 h ALA 100 Ca 0.28 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.41 2ju5 h ALA 100 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2ju5 h ALA 100 CO -0.05 0.84 0.15 0.37 0.00 0.00 0.00 179.25 180.57 2ju5 h GLN 101 N 0.15 0.31 -0.62 0.00 4.15 -0.12 -2.01 115.11 116.97 2ju5 h GLN 101 Ca -0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2ju5 h GLN 101 Cb 1.92 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.54 2ju5 h GLN 101 CO 0.22 0.21 0.00 0.66 -1.93 0.00 0.00 178.83 177.98 2ju5 n TYR 102 N -4.98 1.06 -3.71 3.99 4.01 -0.86 -4.92 117.16 111.74 2ju5 n TYR 102 Ca 0.01 -0.41 -0.21 0.00 -0.16 0.00 0.00 57.90 57.13 2ju5 n TYR 102 Cb 0.12 -0.21 0.03 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.63 -4.82 -3.24 -0.72 5.02 -0.76 -4.93 118.16 109.34 2ju5 n LYS 103 Ca 0.17 0.61 -0.39 0.00 -2.02 0.00 0.00 58.31 56.68 2ju5 n LYS 103 Cb 0.67 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 30.47 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 -3.69 5.10 0.00 -0.18 1.01 0.17 -4.91 120.40 117.91 2ju5 s VAL 104 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2ju5 s VAL 104 Cb -0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2ju5 s VAL 104 CO 0.82 0.17 0.00 0.35 0.00 0.00 0.00 175.10 176.44 2ju5 n THR 105 N 4.56 0.00 -3.96 3.92 -2.24 -1.26 -4.75 114.28 110.56 2ju5 n THR 105 Ca -0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 2ju5 n THR 105 Cb 0.50 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 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 -4.76 2.14 0.11 3.38 0.00 -1.26 -5.12 107.32 101.81 2ju5 s GLY 106 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.93 2ju5 s GLY 106 CO 0.00 -0.82 -0.20 -0.11 0.00 0.00 0.00 173.10 171.98 2ju5 s PHE 107 N -1.42 1.72 0.25 1.90 -0.12 -1.26 -3.91 117.98 115.14 2ju5 s PHE 107 Ca 0.31 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.46 2ju5 s PHE 107 Cb -0.13 -0.93 -0.09 0.00 -0.63 0.00 0.00 43.02 41.24 2ju5 s PHE 107 CO 0.24 0.21 0.97 -1.25 -0.05 0.00 0.00 175.22 175.33 2ju5 s PRO 108 N -2.06 4.81 -0.05 1.99 0.04 -1.26 -4.83 135.00 133.64 2ju5 s PRO 108 Ca 0.07 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2ju5 s PRO 108 Cb -0.09 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2ju5 s PRO 108 CO 0.04 0.46 -0.03 -2.00 0.04 0.00 0.00 177.00 175.51 2ju5 s GLU 109 N -1.25 0.71 -0.20 4.56 2.12 -1.11 -3.85 118.70 119.67 2ju5 s GLU 109 Ca 0.42 -0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 2ju5 s GLU 109 Cb -0.27 -0.81 0.00 0.00 0.26 0.00 0.00 34.13 33.31 2ju5 s GLU 109 CO 0.33 -0.13 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.65 2ju5 s LEU 110 N 1.14 2.62 -0.12 2.70 0.20 0.17 -2.20 118.68 123.19 2ju5 s LEU 110 Ca -0.08 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.28 2ju5 s LEU 110 Cb -0.14 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 43.97 2ju5 s LEU 110 CO -0.01 0.01 -0.15 0.68 -0.29 0.00 0.00 176.35 176.59 2ju5 s VAL 111 N 1.29 2.91 -0.23 1.68 -7.23 -1.19 -0.29 120.40 117.34 2ju5 s VAL 111 Ca 0.04 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 2ju5 s VAL 111 Cb -0.14 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2ju5 s VAL 111 CO -0.05 0.53 0.21 -0.36 -0.31 0.00 0.00 175.10 175.12 2ju5 s PHE 112 N 0.34 3.33 0.16 2.82 0.08 0.11 -2.32 117.98 122.50 2ju5 s PHE 112 Ca -0.12 0.32 0.06 0.00 0.12 0.00 0.00 56.93 57.31 2ju5 s PHE 112 Cb -0.16 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 2ju5 s PHE 112 CO 0.06 0.06 -0.14 0.96 -0.10 0.00 0.00 175.22 176.06 2ju5 s ILE 113 N 1.10 1.48 0.65 0.64 -4.36 -0.20 -0.56 121.20 119.95 2ju5 s ILE 113 Ca 0.10 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2ju5 s ILE 113 Cb -0.14 -1.80 0.13 0.00 1.25 0.00 0.00 42.46 41.90 2ju5 s ILE 113 CO 0.05 -0.54 0.89 -0.67 0.24 0.00 0.00 174.94 174.91 2ju5 n ASP 114 N 0.04 1.08 0.07 4.36 2.03 -0.36 0.53 116.55 124.30 2ju5 n ASP 114 Ca -0.12 -1.94 0.09 0.00 0.52 0.00 0.00 54.79 53.34 2ju5 n ASP 114 Cb 0.59 -0.59 0.39 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.99 1.61 0.92 -1.67 0.00 -1.26 -1.54 120.51 115.58 2ju5 n ALA 115 Ca -0.15 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2ju5 n ALA 115 Cb 0.51 -1.30 0.16 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 -1.87 2.30 -0.75 0.00 1.02 -1.26 -4.82 120.64 115.26 2ju5 n GLU 116 Ca 0.03 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 2ju5 n GLU 116 Cb 0.19 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.36 0.57 3.75 0.62 0.00 -0.59 -5.04 105.19 105.87 2ju5 n GLY 117 Ca 0.15 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.99 4.61 -0.17 1.61 1.02 -1.26 -4.77 119.74 119.80 2ju5 s LYS 118 Ca 0.00 1.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.95 2ju5 s LYS 118 Cb 0.00 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2ju5 s LYS 118 CO 0.00 0.41 0.92 -1.14 -0.92 0.00 0.00 175.35 174.62 2ju5 s GLN 119 N -0.59 4.32 -0.17 1.68 0.74 -1.26 -1.23 119.66 123.15 2ju5 s GLN 119 Ca 0.40 1.19 0.18 0.00 0.05 0.00 0.00 55.36 57.18 2ju5 s GLN 119 Cb -0.23 -3.58 -0.26 0.00 1.10 0.00 0.00 33.01 30.04 2ju5 s GLN 119 CO 0.27 -0.40 0.16 1.28 -0.55 0.00 0.00 175.29 176.05 2ju5 n LEU 120 N 5.44 0.04 -3.61 3.68 4.77 0.28 -5.00 117.00 122.61 2ju5 n LEU 120 Ca 0.07 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 2ju5 n LEU 120 Cb 0.48 0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 2ju5 n LEU 120 CO 0.50 0.42 1.06 0.00 -1.33 0.00 0.00 177.39 178.03 2ju5 s ALA 121 N -2.65 -2.17 -0.08 -1.18 0.00 -1.22 -4.67 121.76 109.78 2ju5 s ALA 121 Ca -0.09 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 2ju5 s ALA 121 Cb 0.07 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2ju5 s ALA 121 CO 0.84 -0.80 0.31 -0.98 0.00 0.00 0.00 175.76 175.13 2ju5 s ARG 122 N -2.37 0.47 0.07 0.00 1.70 -1.26 0.07 118.95 117.63 2ju5 s ARG 122 Ca 0.12 0.21 -0.07 0.00 -0.47 0.00 0.00 55.73 55.52 2ju5 s ARG 122 Cb 0.02 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2ju5 s ARG 122 CO -0.04 -0.09 0.15 -1.64 -1.08 0.00 0.00 175.30 172.59 2ju5 s MET 123 N -0.36 0.77 0.00 3.89 -1.94 0.60 -4.99 119.30 117.27 2ju5 s MET 123 Ca -0.05 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2ju5 s MET 123 Cb -0.03 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.11 2ju5 s MET 123 CO 0.02 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 2ju5 n GLY 124 N 0.10 5.13 3.71 -0.03 0.00 -1.26 0.46 105.19 113.30 2ju5 n GLY 124 Ca -0.15 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 2.77 3.67 -0.18 1.61 5.36 -1.25 -4.89 117.98 125.07 2ju5 s PHE 125 Ca 0.00 1.69 -0.04 0.00 -0.96 0.00 0.00 56.93 57.62 2ju5 s PHE 125 Cb 0.00 -3.13 0.08 0.00 -0.34 0.00 0.00 43.02 39.63 2ju5 s PHE 125 CO 0.00 -0.06 0.19 -1.21 -1.46 0.00 0.00 175.22 172.68 2ju5 s GLU 126 N 0.82 0.15 0.86 10.12 2.02 -1.26 -5.12 118.70 126.29 2ju5 s GLU 126 Ca 0.52 0.22 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 2ju5 s GLU 126 Cb -0.22 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.84 2ju5 s GLU 126 CO 0.28 -0.60 0.33 -2.30 0.02 0.00 0.00 175.26 173.00 2ju5 n PRO 127 N 5.31 -0.03 0.00 0.39 -0.02 -1.26 -4.34 135.00 135.06 2ju5 n PRO 127 Ca -0.06 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2ju5 n PRO 127 Cb 0.49 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 1.76 1.47 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.97 2ju5 n GLY 128 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.23 -0.02 0.00 -1.26 -4.34 105.19 99.92 2ju5 n GLY 129 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 0.80 0.98 -0.02 0.00 -1.88 -2.24 103.07 100.71 2ju5 h GLY 130 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2ju5 h GLY 130 CO 0.00 0.49 0.23 0.00 0.00 0.00 0.00 176.54 177.26 2ju5 h ALA 131 N 0.96 0.52 -0.59 3.60 0.00 -1.92 -2.07 119.26 119.76 2ju5 h ALA 131 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ju5 h ALA 131 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2ju5 h ALA 131 CO 0.01 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.44 2ju5 h ALA 132 N 1.09 1.16 -0.65 0.00 0.00 -1.74 -2.83 119.26 116.29 2ju5 h ALA 132 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ju5 h ALA 132 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ju5 h ALA 132 CO -0.02 0.57 0.29 -0.92 0.00 0.00 0.00 179.25 179.17 2ju5 h TYR 133 N 0.87 0.96 -0.47 0.00 5.03 -0.96 -2.80 116.97 119.60 2ju5 h TYR 133 Ca 0.19 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 2ju5 h TYR 133 Cb 0.30 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 2ju5 h TYR 133 CO 0.02 0.74 -0.01 -0.39 -1.32 0.00 0.00 178.16 177.20 2ju5 h VAL 134 N 0.91 1.24 -0.79 1.81 -1.51 -1.16 -2.00 116.25 114.74 2ju5 h VAL 134 Ca 0.22 -1.00 0.02 0.00 -1.23 0.00 0.00 66.70 64.71 2ju5 h VAL 134 Cb 0.16 0.89 -0.04 0.00 -2.13 0.00 0.00 31.29 30.16 2ju5 h VAL 134 CO -0.02 0.35 0.52 -1.28 -1.23 0.00 0.00 177.57 175.91 2ju5 h SER 135 N 0.73 0.88 -0.50 4.19 0.87 -1.27 -1.54 113.55 116.91 2ju5 h SER 135 Ca 0.14 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2ju5 h SER 135 Cb 0.45 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2ju5 h SER 135 CO 0.02 0.63 0.15 0.11 -0.53 0.00 0.00 176.83 177.20 2ju5 h LYS 136 N 1.04 0.79 -0.65 2.24 1.57 -1.24 -2.48 116.57 117.84 2ju5 h LYS 136 Ca 0.30 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2ju5 h LYS 136 Cb -0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2ju5 h LYS 136 CO -0.08 0.74 0.06 -0.24 -0.57 0.00 0.00 179.45 179.36 2ju5 h VAL 137 N 0.68 1.26 -0.60 0.50 3.04 -1.08 -1.49 116.25 118.56 2ju5 h VAL 137 Ca 0.16 -1.09 0.02 0.00 -1.01 0.00 0.00 66.70 64.78 2ju5 h VAL 137 Cb 0.29 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 30.23 2ju5 h VAL 137 CO -0.00 0.41 0.38 0.11 -1.01 0.00 0.00 177.57 177.45 2ju5 h LYS 138 N 1.02 0.72 -0.60 4.17 1.57 -1.15 0.66 116.57 122.97 2ju5 h LYS 138 Ca 0.19 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2ju5 h LYS 138 Cb 0.50 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2ju5 h LYS 138 CO 0.02 0.48 -0.03 0.77 -0.57 0.00 0.00 179.45 180.12 2ju5 h SER 139 N 0.75 1.06 -0.61 0.86 0.02 -1.20 -0.39 113.55 114.04 2ju5 h SER 139 Ca 0.24 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 2ju5 h SER 139 Cb -0.00 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2ju5 h SER 139 CO -0.09 1.12 0.06 0.00 -1.14 0.00 0.00 176.83 176.78 2ju5 h ALA 140 N 0.97 0.81 -0.01 3.77 0.00 -0.71 -2.89 119.26 121.21 2ju5 h ALA 140 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 140 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ju5 h ALA 140 CO 0.04 0.61 -0.13 1.28 0.00 0.00 0.00 179.25 181.04 2ju5 n LEU 141 N -4.25 1.07 -3.07 0.00 4.32 0.17 -4.65 117.00 110.60 2ju5 n LEU 141 Ca 0.03 -0.30 -0.15 0.00 -0.02 0.00 0.00 56.01 55.58 2ju5 n LEU 141 Cb 0.31 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.10 2ju5 n LEU 141 CO 0.43 0.19 0.10 0.29 -1.22 0.00 0.00 177.39 177.18 2ju5 n LYS 142 N -0.41 -5.69 -3.52 3.23 4.76 -0.43 -4.99 118.16 111.10 2ju5 n LYS 142 Ca 0.15 0.72 -0.37 0.00 -2.87 0.00 0.00 58.31 55.94 2ju5 n LYS 142 Cb 0.33 -5.37 -0.09 0.00 -1.84 0.00 0.00 35.03 28.07 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 -5.74 4.11 0.00 -0.35 1.02 -0.29 -5.05 118.68 112.39 2ju5 s LEU 143 Ca 0.02 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.45 2ju5 s LEU 143 Cb -0.01 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.91 2ju5 s LEU 143 CO 0.62 -0.02 0.00 -1.14 0.02 0.00 0.00 176.35 175.83