#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 0.91 0.27 0.00 1.74 -1.26 -4.31 116.66 114.01 2ju5 n ARG 2 Ca 0.00 -0.50 0.16 0.00 -0.77 0.00 0.00 57.85 56.73 2ju5 n ARG 2 Cb 0.00 -1.78 0.67 0.00 -1.02 0.00 0.00 32.46 30.34 2ju5 n ARG 2 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2ju5 h ARG 3 N 4.98 0.00 -0.58 5.56 0.11 -2.07 -2.93 114.38 119.46 2ju5 h ARG 3 Ca 0.11 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.12 2ju5 h ARG 3 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2ju5 h ARG 3 CO 0.49 0.06 0.06 0.07 0.10 0.00 0.00 179.97 180.76 2ju5 h ARG 4 N 0.00 0.95 -2.51 0.08 0.11 -2.08 -3.45 114.38 107.48 2ju5 h ARG 4 Ca -0.00 -0.25 -0.06 0.00 0.10 0.00 0.00 59.98 59.77 2ju5 h ARG 4 Cb 0.52 -0.11 -0.17 0.00 1.11 0.00 0.00 29.97 31.31 2ju5 h ARG 4 CO 0.01 0.90 0.10 0.00 0.10 0.00 0.00 179.97 181.09 2ju5 s ALA 5 N -5.10 -1.51 0.07 0.08 0.00 -1.10 -5.18 121.76 109.02 2ju5 s ALA 5 Ca -0.11 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.75 2ju5 s ALA 5 Cb 0.15 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2ju5 s ALA 5 CO 0.83 -0.47 -0.11 -1.12 0.00 0.00 0.00 175.76 174.89 2ju5 s SER 6 N -1.73 1.34 0.05 0.00 0.01 -1.26 -4.79 113.70 107.33 2ju5 s SER 6 Ca -0.07 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2ju5 s SER 6 Cb -0.01 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2ju5 s SER 6 CO 0.02 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2ju5 n GLY 7 N 1.07 -2.15 3.15 3.44 0.00 -1.26 -5.02 105.19 104.43 2ju5 n GLY 7 Ca -0.20 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 2ju5 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju5 s GLU 8 N -0.70 0.74 -0.83 1.61 0.41 -1.26 -5.10 118.70 113.56 2ju5 s GLU 8 Ca 0.00 -1.13 -0.19 0.00 -0.41 0.00 0.00 54.97 53.24 2ju5 s GLU 8 Cb 0.00 0.27 0.13 0.00 -1.78 0.00 0.00 34.13 32.75 2ju5 s GLU 8 CO 0.00 -0.19 1.00 -0.80 -0.49 0.00 0.00 175.26 174.78 2ju5 s ASN 9 N -2.91 6.51 0.16 -0.19 0.01 -1.26 -4.87 114.94 112.40 2ju5 s ASN 9 Ca 0.07 -1.87 -0.12 0.00 -0.71 0.00 0.00 52.86 50.23 2ju5 s ASN 9 Cb 0.07 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.42 2ju5 s ASN 9 CO -0.09 -1.07 1.70 -0.07 -1.51 0.00 0.00 177.10 176.05 2ju5 h LEU 10 N 10.19 0.81 -8.02 0.60 -0.00 -2.05 -3.44 115.31 113.41 2ju5 h LEU 10 Ca 0.02 -0.20 -0.25 0.00 -0.00 0.00 0.00 57.88 57.45 2ju5 h LEU 10 Cb 1.04 -0.21 -0.23 0.00 -0.00 0.00 0.00 40.66 41.26 2ju5 h LEU 10 CO 1.08 0.80 -0.73 -1.10 -0.00 0.00 0.00 178.44 178.49 2ju5 s GLN 11 N -5.42 0.39 -0.19 1.13 -1.52 -1.26 -5.14 119.66 107.65 2ju5 s GLN 11 Ca -0.13 -0.53 -0.17 0.00 -1.95 0.00 0.00 55.36 52.58 2ju5 s GLN 11 Cb 0.12 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.72 2ju5 s GLN 11 CO 0.80 0.03 0.44 -1.14 -0.25 0.00 0.00 175.29 175.16 2ju5 s GLN 12 N -1.12 4.21 0.25 2.91 0.74 -1.26 -5.05 119.66 120.34 2ju5 s GLN 12 Ca -0.09 0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 2ju5 s GLN 12 Cb -0.08 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 2ju5 s GLN 12 CO -0.00 -0.03 1.31 0.99 -0.55 0.00 0.00 175.29 177.01 2ju5 s THR 13 N 1.26 3.01 -0.34 -0.34 2.01 -1.26 -4.12 115.64 115.86 2ju5 s THR 13 Ca 0.21 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 63.01 2ju5 s THR 13 Cb -0.15 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2ju5 s THR 13 CO 0.09 0.17 0.30 0.54 -0.69 0.00 0.00 174.62 175.03 2ju5 n ARG 14 N 1.93 -2.63 -0.34 4.92 5.12 -1.26 -4.85 116.66 119.55 2ju5 n ARG 14 Ca 0.04 2.23 0.12 0.00 -1.93 0.00 0.00 57.85 58.31 2ju5 n ARG 14 Cb 0.42 -4.82 0.33 0.00 -1.16 0.00 0.00 32.46 27.23 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2ju5 h PRO 15 N 2.59 0.75 -5.48 5.56 0.11 -2.02 -3.36 132.00 130.15 2ju5 h PRO 15 Ca -0.05 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.57 2ju5 h PRO 15 Cb 0.62 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 31.42 2ju5 h PRO 15 CO 0.14 0.50 -0.72 0.96 -0.21 0.00 0.00 178.00 178.67 2ju5 s ILE 16 N -5.82 1.63 -1.09 4.15 -4.36 -1.26 -4.75 121.20 109.71 2ju5 s ILE 16 Ca -0.11 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.10 2ju5 s ILE 16 Cb 0.24 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.85 2ju5 s ILE 16 CO 0.80 -0.56 0.00 0.00 0.24 0.00 0.00 174.94 175.42 2ju5 n ALA 17 N -0.39 -0.75 -0.21 2.27 0.00 -1.26 -4.83 120.51 115.33 2ju5 n ALA 17 Ca -0.08 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2ju5 n ALA 17 Cb 0.61 -1.52 0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 0.99 0.80 -2.71 0.00 0.00 -1.86 -3.43 119.26 113.06 2ju5 h ALA 18 Ca -0.30 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 2ju5 h ALA 18 Cb 1.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ju5 h ALA 18 CO 0.35 0.55 0.49 0.00 0.00 0.00 0.00 179.25 180.64 2ju5 s ALA 19 N -5.23 3.39 -2.17 0.00 0.00 -1.26 -4.91 121.76 111.59 2ju5 s ALA 19 Ca -0.12 0.86 0.18 0.00 0.00 0.00 0.00 51.96 52.88 2ju5 s ALA 19 Cb 0.13 -3.35 0.53 0.00 0.00 0.00 0.00 23.12 20.43 2ju5 s ALA 19 CO 0.83 -0.21 1.42 0.09 0.00 0.00 0.00 175.76 177.89 2ju5 n ASN 20 N 1.96 2.27 -4.74 0.00 3.02 -1.26 -4.89 115.26 111.62 2ju5 n ASN 20 Ca 0.02 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.26 2ju5 n ASN 20 Cb 0.45 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.27 4.53 -0.46 3.41 2.96 -1.26 -5.01 118.68 121.56 2ju5 s LEU 21 Ca 0.32 1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 56.04 2ju5 s LEU 21 Cb 0.17 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.33 2ju5 s LEU 21 CO 0.24 -0.09 0.38 -1.10 -1.32 0.00 0.00 176.35 174.46 2ju5 s GLN 22 N -0.44 2.97 0.15 1.98 -0.21 -1.26 -5.05 119.66 117.80 2ju5 s GLN 22 Ca 0.47 -1.31 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 2ju5 s GLN 22 Cb -0.27 -4.11 -0.07 0.00 1.00 0.00 0.00 33.01 29.57 2ju5 s GLN 22 CO 0.33 -0.99 1.10 -1.58 -2.12 0.00 0.00 175.29 172.02 2ju5 s TRP 23 N 1.64 3.60 0.32 0.91 0.51 -1.26 -4.51 118.94 120.15 2ju5 s TRP 23 Ca 0.04 1.59 0.07 0.00 -2.12 0.00 0.00 56.10 55.68 2ju5 s TRP 23 Cb -0.24 -3.27 -0.06 0.00 -0.81 0.00 0.00 33.47 29.09 2ju5 s TRP 23 CO 0.07 -0.59 -0.05 -1.21 -0.51 0.00 0.00 176.95 174.65 2ju5 s GLU 24 N -0.13 1.71 0.61 4.98 2.02 -0.78 -5.06 118.70 122.05 2ju5 s GLU 24 Ca 0.50 -1.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.51 2ju5 s GLU 24 Cb -0.29 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 2ju5 s GLU 24 CO 0.34 0.05 0.99 -1.54 0.02 0.00 0.00 175.26 175.11 2ju5 s SER 25 N -3.54 5.98 0.18 -0.19 1.04 -1.26 -4.33 113.70 111.58 2ju5 s SER 25 Ca 0.32 1.19 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 2ju5 s SER 25 Cb 0.04 -2.22 0.10 0.00 0.10 0.00 0.00 66.02 64.04 2ju5 s SER 25 CO 0.15 -0.96 1.78 0.22 0.98 0.00 0.00 173.24 175.41 2ju5 h TYR 26 N -0.29 0.90 -0.43 5.02 3.20 -1.94 0.31 116.97 123.73 2ju5 h TYR 26 Ca -0.45 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.27 2ju5 h TYR 26 Cb 1.22 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2ju5 h TYR 26 CO 0.59 0.67 -0.18 0.00 -1.64 0.00 0.00 178.16 177.60 2ju5 h ALA 27 N 1.14 0.87 -0.43 1.82 0.00 -2.00 -2.74 119.26 117.92 2ju5 h ALA 27 Ca 0.22 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2ju5 h ALA 27 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ju5 h ALA 27 CO -0.03 0.64 -0.30 0.93 0.00 0.00 0.00 179.25 180.48 2ju5 h GLU 28 N 0.74 0.95 -0.36 0.00 5.08 -1.81 -2.71 114.58 116.47 2ju5 h GLU 28 Ca 0.11 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2ju5 h GLU 28 Cb 0.70 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2ju5 h GLU 28 CO 0.05 1.12 0.21 0.00 -1.00 0.00 0.00 179.01 179.39 2ju5 h ALA 29 N 0.84 0.45 -0.61 3.43 0.00 -0.22 -1.41 119.26 121.74 2ju5 h ALA 29 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ju5 h ALA 29 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ju5 h ALA 29 CO 0.08 -0.13 0.13 -0.07 0.00 0.00 0.00 179.25 179.26 2ju5 h LEU 30 N 0.43 0.94 -0.52 0.00 3.38 -1.48 0.11 115.31 118.16 2ju5 h LEU 30 Ca 0.14 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2ju5 h LEU 30 CO -0.06 0.94 0.27 -0.33 0.09 0.00 0.00 178.44 179.35 2ju5 h GLU 31 N 0.90 0.52 -0.31 1.13 5.08 -1.14 0.63 114.58 121.38 2ju5 h GLU 31 Ca 0.19 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2ju5 h GLU 31 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 31 CO 0.01 0.34 -0.20 0.45 -1.00 0.00 0.00 179.01 178.61 2ju5 h HIS 32 N 0.53 0.81 -0.43 4.33 3.86 -0.97 -3.12 115.15 120.17 2ju5 h HIS 32 Ca 0.23 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2ju5 h HIS 32 Cb 0.12 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2ju5 h HIS 32 CO -0.09 0.93 0.04 0.77 0.86 0.00 0.00 177.93 180.44 2ju5 h SER 33 N 0.45 0.63 -0.23 2.45 0.02 0.02 2.32 113.55 119.21 2ju5 h SER 33 Ca 0.06 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2ju5 h SER 33 Cb 0.75 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2ju5 h SER 33 CO 0.06 0.67 0.16 0.11 -1.14 0.00 0.00 176.83 176.69 2ju5 h LYS 34 N 0.64 0.06 0.00 3.45 1.57 0.30 1.89 116.57 124.48 2ju5 h LYS 34 Ca 0.14 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.56 2ju5 h LYS 34 Cb 0.34 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2ju5 h LYS 34 CO 0.01 0.04 -2.35 1.04 -0.57 0.00 0.00 179.45 177.62 2ju5 n GLN 35 N -4.48 0.64 0.07 3.15 6.02 -0.48 -4.59 117.38 117.70 2ju5 n GLN 35 Ca 0.02 0.12 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 2ju5 n GLN 35 Cb 0.27 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 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 -3.14 0.58 -0.32 1.08 8.00 0.77 -4.97 116.55 118.55 2ju5 n ASP 36 Ca -0.41 0.22 -0.04 0.00 0.71 0.00 0.00 54.79 55.27 2ju5 n ASP 36 Cb 0.97 0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 42.98 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 -2.55 0.00 -2.53 1.24 8.25 0.64 -4.95 115.22 115.31 2ju5 n HIS 37 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2ju5 n HIS 37 Cb 0.57 -1.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.16 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 -1.79 4.48 0.66 -0.41 1.02 -1.26 -4.89 119.74 117.56 2ju5 s LYS 38 Ca 0.00 1.63 -0.17 0.00 0.02 0.00 0.00 55.97 57.45 2ju5 s LYS 38 Cb 0.00 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2ju5 s LYS 38 CO 0.00 -0.18 1.08 -2.30 -0.92 0.00 0.00 175.35 173.02 2ju5 n PRO 39 N 3.94 0.81 -4.43 -1.68 -0.02 -1.26 -4.61 135.00 127.75 2ju5 n PRO 39 Ca 0.08 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 2ju5 n PRO 39 Cb 0.48 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.59 3.75 -0.29 4.25 1.01 0.20 -1.80 121.20 126.73 2ju5 s ILE 40 Ca 0.78 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 2ju5 s ILE 40 Cb -0.38 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.45 2ju5 s ILE 40 CO 0.46 0.49 0.09 -0.83 0.00 0.00 0.00 174.94 175.15 2ju5 s GLY 41 N 0.41 1.80 -0.28 6.18 0.00 -0.55 -1.26 107.32 113.61 2ju5 s GLY 41 Ca -0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 2ju5 s GLY 41 CO 0.03 0.63 0.37 1.08 0.00 0.00 0.00 173.10 175.21 2ju5 s LEU 42 N 1.55 4.07 -0.51 0.66 1.02 -0.95 -1.22 118.68 123.30 2ju5 s LEU 42 Ca 0.04 0.23 -0.20 0.00 0.02 0.00 0.00 54.13 54.22 2ju5 s LEU 42 Cb -0.17 -2.41 0.05 0.00 0.02 0.00 0.00 46.19 43.69 2ju5 s LEU 42 CO 0.03 -0.19 0.67 0.12 0.02 0.00 0.00 176.35 177.00 2ju5 s PHE 43 N 2.06 3.02 -0.25 0.29 5.36 -0.35 -3.07 117.98 125.04 2ju5 s PHE 43 Ca 0.14 -0.44 -0.16 0.00 -0.96 0.00 0.00 56.93 55.51 2ju5 s PHE 43 Cb -0.16 -3.59 -0.03 0.00 -0.34 0.00 0.00 43.02 38.90 2ju5 s PHE 43 CO 0.10 -1.06 0.42 -0.06 -1.46 0.00 0.00 175.22 173.16 2ju5 s PHE 44 N 2.81 3.29 0.25 10.12 0.40 -0.91 -1.06 117.98 132.88 2ju5 s PHE 44 Ca 0.17 0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 56.98 2ju5 s PHE 44 Cb -0.18 -2.60 0.02 0.00 0.51 0.00 0.00 43.02 40.77 2ju5 s PHE 44 CO 0.13 -0.18 0.44 0.25 0.70 0.00 0.00 175.22 176.56 2ju5 n THR 45 N 4.89 0.00 -3.66 0.64 -2.24 -1.00 -2.69 114.28 110.21 2ju5 n THR 45 Ca -0.07 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.53 2ju5 n THR 45 Cb 0.51 0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.40 1.60 0.40 3.38 0.00 -1.26 -0.05 107.32 108.99 2ju5 s GLY 46 Ca 0.14 -2.56 0.13 0.00 0.00 0.00 0.00 44.72 42.44 2ju5 s GLY 46 CO 0.10 1.64 1.90 1.76 0.00 0.00 0.00 173.10 178.50 2ju5 h SER 47 N 6.59 0.49 -0.01 1.64 0.02 -1.88 -0.21 113.55 120.19 2ju5 h SER 47 Ca 0.03 0.03 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 0.25 -0.38 0.47 -1.14 0.00 0.00 176.83 176.49 2ju5 n ASP 48 N -4.51 1.88 0.00 3.07 8.00 -1.26 -4.71 116.55 119.02 2ju5 n ASP 48 Ca 0.15 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2ju5 n ASP 48 Cb 0.51 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 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 0.00 0.00 -3.31 1.24 4.27 -1.08 -4.87 117.44 113.70 2ju5 n TRP 49 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 2ju5 n TRP 49 Cb 0.41 0.00 -0.09 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 8.61 0.65 -0.05 0.00 4.05 -1.96 -2.79 114.93 123.43 2ju5 h MET 51 Ca -0.28 -0.51 -0.01 0.00 -0.28 0.00 0.00 59.70 58.62 2ju5 h MET 51 Cb 1.12 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2ju5 h MET 51 CO 0.77 1.13 -0.02 -1.49 0.23 0.00 0.00 176.91 177.54 2ju5 h TRP 52 N 0.31 0.07 -0.39 1.39 6.55 -1.92 -0.64 115.95 121.31 2ju5 h TRP 52 Ca -0.04 -0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.66 2ju5 h TRP 52 Cb 1.23 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 29.50 2ju5 h TRP 52 CO 0.10 0.09 -0.32 0.00 -1.05 0.00 0.00 178.44 177.26 2ju5 h ILE 54 N 0.72 1.18 -0.36 0.00 2.04 -0.90 0.31 117.51 120.50 2ju5 h ILE 54 Ca 0.07 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2ju5 h ILE 54 Cb 0.91 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2ju5 h ILE 54 CO 0.08 0.19 0.21 0.11 0.00 0.00 0.00 178.15 178.75 2ju5 h LYS 55 N 0.70 0.50 -0.47 2.37 1.79 -0.96 2.16 116.57 122.66 2ju5 h LYS 55 Ca 0.18 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2ju5 h LYS 55 Cb 0.06 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2ju5 h LYS 55 CO -0.03 0.40 0.18 1.98 -1.08 0.00 0.00 179.45 180.90 2ju5 h MET 56 N 0.47 0.71 -0.16 3.15 4.05 -0.92 0.62 114.93 122.84 2ju5 h MET 56 Ca 0.13 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 2ju5 h MET 56 Cb 0.03 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2ju5 h MET 56 CO -0.02 0.65 -0.19 0.37 0.23 0.00 0.00 176.91 177.94 2ju5 h GLN 57 N 0.62 0.42 -0.33 0.39 4.15 -0.62 0.49 115.11 120.23 2ju5 h GLN 57 Ca 0.16 -0.23 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 2ju5 h GLN 57 Cb 0.21 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2ju5 h GLN 57 CO -0.01 0.80 -0.33 0.22 -1.93 0.00 0.00 178.83 177.59 2ju5 h ASP 58 N 0.06 0.75 0.55 -0.69 1.82 0.37 -1.45 116.42 117.83 2ju5 h ASP 58 Ca 0.02 -0.31 -0.17 0.00 -0.39 0.00 0.00 57.03 56.18 2ju5 h ASP 58 Cb 0.74 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 2ju5 h ASP 58 CO 0.05 1.01 -1.58 0.00 -1.61 0.00 0.00 179.24 177.11 2ju5 n GLN 59 N -4.07 0.63 0.00 0.28 1.13 0.21 -4.50 117.38 111.07 2ju5 n GLN 59 Ca -0.01 0.15 -0.03 0.00 -1.94 0.00 0.00 57.00 55.17 2ju5 n GLN 59 Cb 0.49 -1.74 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2ju5 n ILE 60 N -2.80 0.79 -0.36 5.09 5.41 0.17 -3.70 119.36 123.96 2ju5 n ILE 60 Ca -0.12 0.16 -0.02 0.00 1.00 0.00 0.00 62.75 63.77 2ju5 n ILE 60 Cb 0.84 -1.64 0.11 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.16 1.09 -0.95 1.39 -0.00 -1.34 -1.18 115.31 114.16 2ju5 h LEU 61 Ca -0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2ju5 h LEU 61 Cb 0.60 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2ju5 h LEU 61 CO -0.03 0.78 0.00 0.00 -0.00 0.00 0.00 178.44 179.19 2ju5 n GLN 62 N -4.43 1.62 -2.82 1.13 6.02 -0.56 -4.31 117.38 114.04 2ju5 n GLN 62 Ca 0.11 -0.94 -0.33 0.00 -0.01 0.00 0.00 57.00 55.83 2ju5 n GLN 62 Cb 0.03 -1.34 -0.07 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 -1.43 6.93 0.17 1.08 1.04 -0.45 -4.90 113.70 116.15 2ju5 s SER 63 Ca 0.29 1.68 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 2ju5 s SER 63 Cb 0.15 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.81 2ju5 s SER 63 CO 0.22 -0.36 1.83 -1.28 0.98 0.00 0.00 173.24 174.64 2ju5 h SER 64 N 1.90 0.57 -0.32 7.02 0.87 -1.91 -0.94 113.55 120.75 2ju5 h SER 64 Ca -0.49 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 2ju5 h SER 64 Cb 1.18 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2ju5 h SER 64 CO 0.61 0.41 0.16 -0.33 -0.53 0.00 0.00 176.83 177.15 2ju5 h GLU 65 N 0.68 0.46 -0.37 2.24 4.39 -1.91 -0.46 114.58 119.62 2ju5 h GLU 65 Ca 0.20 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 2ju5 h GLU 65 Cb -0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2ju5 h GLU 65 CO -0.06 0.42 -0.08 0.35 -1.16 0.00 0.00 179.01 178.48 2ju5 h PHE 66 N 0.39 0.79 -0.59 4.33 3.57 -1.75 -0.79 116.94 122.90 2ju5 h PHE 66 Ca 0.11 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2ju5 h PHE 66 Cb 0.10 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2ju5 h PHE 66 CO -0.02 0.85 0.29 0.87 -2.23 0.00 0.00 178.31 178.07 2ju5 h LYS 67 N 0.51 0.84 -0.24 1.11 1.57 -1.07 0.49 116.57 119.78 2ju5 h LYS 67 Ca 0.09 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2ju5 h LYS 67 Cb 0.59 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2ju5 h LYS 67 CO 0.03 0.67 0.02 1.25 -0.57 0.00 0.00 179.45 180.86 2ju5 h HIS 68 N 0.80 0.45 -0.14 -1.35 2.76 -1.01 0.25 115.15 116.92 2ju5 h HIS 68 Ca 0.20 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2ju5 h HIS 68 Cb 0.10 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2ju5 h HIS 68 CO -0.00 0.56 0.08 0.35 -1.30 0.00 0.00 177.93 177.62 2ju5 h PHE 69 N 0.20 0.18 -0.32 5.26 3.57 -0.87 -2.37 116.94 122.60 2ju5 h PHE 69 Ca 0.07 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 2ju5 h PHE 69 Cb 0.37 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2ju5 h PHE 69 CO 0.03 0.18 -0.26 0.00 -2.23 0.00 0.00 178.31 176.03 2ju5 h ALA 70 N 0.99 0.96 -0.48 2.41 0.00 0.05 0.21 119.26 123.39 2ju5 h ALA 70 Ca 0.05 -0.37 -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 -0.01 0.61 -0.04 0.78 0.00 0.00 0.00 179.25 180.58 2ju5 h GLY 71 N 1.00 0.90 0.62 0.00 0.00 -0.36 0.21 103.07 105.44 2ju5 h GLY 71 Ca 0.08 -0.65 -0.27 0.00 0.00 0.00 0.00 47.33 46.49 2ju5 h GLY 71 CO 0.06 0.60 -1.36 -2.08 0.00 0.00 0.00 176.54 173.75 2ju5 h VAL 72 N 0.77 1.09 -0.01 4.60 2.07 -1.31 -3.41 116.25 120.06 2ju5 h VAL 72 Ca 0.14 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2ju5 h VAL 72 Cb 0.53 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2ju5 h VAL 72 CO 0.03 0.72 -0.34 1.41 0.02 0.00 0.00 177.57 179.41 2ju5 n HIS 73 N -3.92 0.00 -4.18 1.57 -0.00 0.73 -5.07 115.22 104.35 2ju5 n HIS 73 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.38 2ju5 n HIS 73 Cb 0.91 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.80 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 -2.00 1.43 -0.19 2.41 1.02 0.74 -4.18 118.68 117.91 2ju5 s LEU 74 Ca 0.11 -1.31 -0.02 0.00 0.02 0.00 0.00 54.13 52.93 2ju5 s LEU 74 Cb 0.12 0.33 -0.00 0.00 0.02 0.00 0.00 46.19 46.65 2ju5 s LEU 74 CO 0.38 -0.79 -0.10 -1.00 0.02 0.00 0.00 176.35 174.87 2ju5 s HIS 75 N -4.10 2.89 -0.13 0.29 3.76 -0.75 -4.51 115.29 112.74 2ju5 s HIS 75 Ca 0.33 -1.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.14 2ju5 s HIS 75 Cb 0.07 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 2ju5 s HIS 75 CO 0.08 -0.54 0.10 -1.64 -0.85 0.00 0.00 174.74 171.89 2ju5 s MET 76 N 1.20 3.50 -0.07 1.40 1.00 -1.26 -1.49 119.30 123.58 2ju5 s MET 76 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 55.69 55.51 2ju5 s MET 76 Cb -0.14 -3.13 0.01 0.00 0.00 0.00 0.00 34.83 31.56 2ju5 s MET 76 CO -0.04 0.64 -0.17 0.08 0.00 0.00 0.00 175.02 175.54 2ju5 s VAL 77 N -0.66 1.46 -0.22 -6.03 1.01 -0.36 -1.86 120.40 113.74 2ju5 s VAL 77 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2ju5 s VAL 77 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2ju5 s VAL 77 CO 0.02 0.42 0.32 -0.70 0.00 0.00 0.00 175.10 175.17 2ju5 s GLU 78 N 0.44 4.13 -0.37 2.72 2.12 -1.26 -1.21 118.70 125.28 2ju5 s GLU 78 Ca -0.14 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.24 2ju5 s GLU 78 Cb -0.16 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.80 2ju5 s GLU 78 CO 0.05 -0.02 0.15 0.08 -0.54 0.00 0.00 175.26 174.98 2ju5 s VAL 79 N 1.27 1.31 -0.02 3.70 1.01 -0.22 -4.92 120.40 122.54 2ju5 s VAL 79 Ca 0.15 -2.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.12 2ju5 s VAL 79 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2ju5 s VAL 79 CO 0.07 -0.75 0.05 1.51 0.00 0.00 0.00 175.10 175.98 2ju5 s ASP 80 N 1.00 5.49 -0.57 3.32 -4.77 -1.26 -2.39 116.67 117.49 2ju5 s ASP 80 Ca 0.13 0.11 0.06 0.00 -3.30 0.00 0.00 52.55 49.55 2ju5 s ASP 80 Cb -0.20 -1.54 0.21 0.00 -1.09 0.00 0.00 42.92 40.30 2ju5 s ASP 80 CO -0.13 0.29 0.56 0.49 0.70 0.00 0.00 175.17 177.08 2ju5 n PHE 81 N 1.37 1.99 -1.61 2.11 3.01 0.93 -4.95 117.46 120.31 2ju5 n PHE 81 Ca -0.14 -3.95 -0.30 0.00 1.01 0.00 0.00 57.45 54.07 2ju5 n PHE 81 Cb 0.53 -0.40 0.08 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.50 2.35 0.08 -1.08 0.04 -1.26 -4.39 135.00 129.23 2ju5 s PRO 82 Ca 0.33 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 2ju5 s PRO 82 Cb 0.08 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.49 2ju5 s PRO 82 CO -0.11 -1.44 1.26 -0.56 0.04 0.00 0.00 177.00 176.19 2ju5 h GLN 83 N -0.96 0.71 -4.16 4.56 3.07 -1.94 -3.37 115.11 113.03 2ju5 h GLN 83 Ca -0.46 -0.62 -0.75 0.00 0.09 0.00 0.00 58.65 56.91 2ju5 h GLN 83 Cb 1.26 0.14 -0.24 0.00 0.08 0.00 0.00 27.48 28.72 2ju5 h GLN 83 CO 0.60 1.22 -0.11 0.21 0.09 0.00 0.00 178.83 180.84 2ju5 s LYS 84 N -3.64 3.10 -0.11 0.06 2.20 -1.26 -5.03 119.74 115.06 2ju5 s LYS 84 Ca -0.11 -1.76 -0.21 0.00 -0.36 0.00 0.00 55.97 53.53 2ju5 s LYS 84 Cb 0.07 -4.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 2ju5 s LYS 84 CO 0.89 -1.36 0.59 -0.80 -0.36 0.00 0.00 175.35 174.31 2ju5 s ASN 85 N 3.40 6.80 -0.02 1.43 -0.87 -1.26 -4.92 114.94 119.50 2ju5 s ASN 85 Ca 0.07 0.96 0.02 0.00 -1.57 0.00 0.00 52.86 52.35 2ju5 s ASN 85 Cb -0.26 -2.35 0.03 0.00 -0.02 0.00 0.00 41.25 38.66 2ju5 s ASN 85 CO 0.02 -0.10 0.85 1.41 -2.57 0.00 0.00 177.10 176.71 2ju5 n HIS 86 N 3.98 0.00 -2.93 2.20 8.25 -1.26 -5.09 115.22 120.37 2ju5 n HIS 86 Ca -0.04 -0.16 -0.35 0.00 -0.26 0.00 0.00 57.72 56.91 2ju5 n HIS 86 Cb 0.51 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.43 4.30 0.75 -0.41 -1.52 -1.26 -5.03 119.66 116.05 2ju5 s GLN 87 Ca 0.04 1.04 -0.15 0.00 -1.95 0.00 0.00 55.36 54.34 2ju5 s GLN 87 Cb 0.03 -2.57 0.05 0.00 -0.22 0.00 0.00 33.01 30.31 2ju5 s GLN 87 CO 0.00 0.19 1.23 -2.14 -0.25 0.00 0.00 175.29 174.33 2ju5 s PRO 88 N -2.54 1.93 0.21 2.91 0.02 -1.26 -4.66 135.00 131.62 2ju5 s PRO 88 Ca 0.53 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 2ju5 s PRO 88 Cb -0.14 -1.80 0.31 0.00 0.02 0.00 0.00 34.50 32.89 2ju5 s PRO 88 CO 0.19 -2.01 1.69 0.93 -0.33 0.00 0.00 177.00 177.47 2ju5 h GLU 89 N -0.44 0.22 -0.95 5.54 5.08 -1.99 0.07 114.58 122.12 2ju5 h GLU 89 Ca -0.48 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2ju5 h GLU 89 Cb 1.31 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2ju5 h GLU 89 CO 0.48 0.15 0.62 0.93 -1.00 0.00 0.00 179.01 180.19 2ju5 h GLU 90 N 0.23 1.10 -0.34 2.33 5.08 -1.99 0.78 114.58 121.77 2ju5 h GLU 90 Ca 0.33 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2ju5 h GLU 90 Cb 0.50 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 90 CO -0.44 0.73 -0.37 0.37 -1.00 0.00 0.00 179.01 178.30 2ju5 h GLN 91 N 1.14 0.85 -0.43 2.33 5.75 -1.50 -2.06 115.11 121.19 2ju5 h GLN 91 Ca 0.39 -0.46 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 2ju5 h GLN 91 Cb 0.11 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2ju5 h GLN 91 CO -0.14 1.10 -0.01 0.00 -2.65 0.00 0.00 178.83 177.14 2ju5 h ARG 92 N 0.64 0.76 -0.41 1.69 3.08 -0.31 -1.13 114.38 118.70 2ju5 h ARG 92 Ca 0.05 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2ju5 h ARG 92 Cb 0.97 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2ju5 h ARG 92 CO 0.09 0.83 0.18 1.96 -1.07 0.00 0.00 179.97 181.96 2ju5 h GLN 93 N 0.59 0.60 -0.33 0.04 1.08 -0.87 -1.81 115.11 114.41 2ju5 h GLN 93 Ca 0.12 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2ju5 h GLN 93 Cb 0.50 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2ju5 h GLN 93 CO 0.02 0.55 0.19 -0.22 -0.95 0.00 0.00 178.83 178.41 2ju5 h LYS 94 N 0.51 0.46 -0.97 1.46 3.64 -1.28 -1.86 116.57 118.55 2ju5 h LYS 94 Ca 0.14 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2ju5 h LYS 94 Cb 0.16 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 2ju5 h LYS 94 CO -0.01 0.38 0.64 -0.91 -2.27 0.00 0.00 179.45 177.28 2ju5 h ASN 95 N 0.42 1.10 -0.69 4.20 -0.26 -1.04 -0.73 115.58 118.57 2ju5 h ASN 95 Ca 0.12 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 2ju5 h ASN 95 Cb 0.05 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 2ju5 h ASN 95 CO -0.02 0.79 0.15 1.56 -1.06 0.00 0.00 177.43 178.85 2ju5 h GLN 96 N 1.29 1.12 -0.54 0.81 1.08 -0.99 -0.19 115.11 117.69 2ju5 h GLN 96 Ca 0.36 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2ju5 h GLN 96 Cb -0.12 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.14 2ju5 h GLN 96 CO -0.08 1.00 0.14 0.93 -0.95 0.00 0.00 178.83 179.86 2ju5 h GLU 97 N 1.05 0.85 -0.66 1.46 5.08 -0.60 -2.38 114.58 119.39 2ju5 h GLU 97 Ca 0.22 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2ju5 h GLU 97 Cb 0.39 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 97 CO 0.01 0.80 0.09 1.25 -1.00 0.00 0.00 179.01 180.16 2ju5 h LEU 98 N 0.75 1.05 -1.26 1.33 5.85 -0.91 0.22 115.31 122.34 2ju5 h LEU 98 Ca 0.17 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2ju5 h LEU 98 Cb 0.33 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2ju5 h LEU 98 CO 0.00 1.05 0.51 0.50 -0.34 0.00 0.00 178.44 180.16 2ju5 h LYS 99 N 1.02 0.94 0.12 1.25 3.64 -0.77 -2.01 116.57 120.75 2ju5 h LYS 99 Ca 0.20 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.23 2ju5 h LYS 99 Cb 0.46 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2ju5 h LYS 99 CO 0.02 0.62 -1.42 0.00 -2.27 0.00 0.00 179.45 176.40 2ju5 h ALA 100 N 1.54 0.21 -0.19 5.00 0.00 -1.03 0.27 119.26 125.06 2ju5 h ALA 100 Ca 0.31 -1.03 0.03 0.00 0.00 0.00 0.00 54.91 54.22 2ju5 h ALA 100 Cb 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2ju5 h ALA 100 CO -0.09 1.09 0.01 0.37 0.00 0.00 0.00 179.25 180.63 2ju5 h GLN 101 N 0.07 0.08 -0.57 0.00 4.15 0.12 -1.95 115.11 116.99 2ju5 h GLN 101 Ca -0.20 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2ju5 h GLN 101 Cb 2.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.67 2ju5 h GLN 101 CO 0.18 0.05 0.00 0.66 -1.93 0.00 0.00 178.83 177.79 2ju5 n TYR 102 N -5.12 0.91 -3.65 3.99 4.01 -0.83 -4.93 117.16 111.54 2ju5 n TYR 102 Ca -0.03 -0.39 -0.23 0.00 -0.16 0.00 0.00 57.90 57.10 2ju5 n TYR 102 Cb 0.10 -0.11 0.04 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.87 -3.88 -3.18 -0.72 5.02 -0.74 -4.94 118.16 110.60 2ju5 n LYS 103 Ca 0.18 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.69 2ju5 n LYS 103 Cb 0.57 -5.04 -0.06 0.00 -0.02 0.00 0.00 35.03 30.48 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 -3.61 5.06 0.00 -0.18 1.01 0.93 -4.90 120.40 118.72 2ju5 s VAL 104 Ca 0.14 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2ju5 s VAL 104 Cb -0.04 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2ju5 s VAL 104 CO 0.81 0.14 0.00 0.35 0.00 0.00 0.00 175.10 176.41 2ju5 n THR 105 N 4.62 0.00 -3.87 3.92 -2.24 -1.26 -4.76 114.28 110.69 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 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.37 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 -4.87 2.20 0.07 3.38 0.00 -1.26 -5.11 107.32 101.72 2ju5 s GLY 106 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.03 2ju5 s GLY 106 CO 0.00 -0.68 -0.16 -0.11 0.00 0.00 0.00 173.10 172.15 2ju5 s PHE 107 N -1.43 1.42 0.30 1.90 -0.12 -1.26 -3.97 117.98 114.81 2ju5 s PHE 107 Ca 0.32 -0.42 -0.28 0.00 -0.05 0.00 0.00 56.93 56.50 2ju5 s PHE 107 Cb -0.13 -0.80 -0.09 0.00 -0.63 0.00 0.00 43.02 41.37 2ju5 s PHE 107 CO 0.23 0.10 0.99 -1.25 -0.05 0.00 0.00 175.22 175.23 2ju5 s PRO 108 N -1.63 4.62 -0.04 1.99 0.04 -1.26 -4.75 135.00 133.97 2ju5 s PRO 108 Ca 0.02 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 2ju5 s PRO 108 Cb -0.09 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.48 2ju5 s PRO 108 CO 0.03 0.28 0.00 -2.00 0.04 0.00 0.00 177.00 175.35 2ju5 s GLU 109 N -1.73 0.40 -0.20 4.56 2.12 -1.09 -3.80 118.70 118.96 2ju5 s GLU 109 Ca 0.47 0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 2ju5 s GLU 109 Cb -0.24 -0.67 -0.01 0.00 0.26 0.00 0.00 34.13 33.47 2ju5 s GLU 109 CO 0.30 -0.20 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.58 2ju5 s LEU 110 N 1.43 2.78 -0.12 2.70 0.20 0.16 -2.14 118.68 123.70 2ju5 s LEU 110 Ca -0.04 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.38 2ju5 s LEU 110 Cb -0.13 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2ju5 s LEU 110 CO -0.03 0.01 -0.17 0.68 -0.29 0.00 0.00 176.35 176.56 2ju5 s VAL 111 N 1.29 2.71 -0.24 1.68 -7.23 -1.17 -0.38 120.40 117.07 2ju5 s VAL 111 Ca 0.03 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 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 0.16 -0.36 -0.31 0.00 0.00 175.10 175.09 2ju5 s PHE 112 N 0.35 3.32 0.15 2.82 0.08 0.10 -2.24 117.98 122.56 2ju5 s PHE 112 Ca -0.14 0.23 0.05 0.00 0.12 0.00 0.00 56.93 57.19 2ju5 s PHE 112 Cb -0.17 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 2ju5 s PHE 112 CO 0.07 0.07 -0.11 0.96 -0.10 0.00 0.00 175.22 176.11 2ju5 s ILE 113 N 1.04 1.22 0.54 0.64 -4.36 -0.39 -0.26 121.20 119.63 2ju5 s ILE 113 Ca 0.08 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2ju5 s ILE 113 Cb -0.13 -1.85 0.11 0.00 1.25 0.00 0.00 42.46 41.84 2ju5 s ILE 113 CO 0.04 -0.72 0.75 -0.67 0.24 0.00 0.00 174.94 174.58 2ju5 n ASP 114 N -0.18 1.11 0.08 4.36 2.03 0.03 0.60 116.55 124.58 2ju5 n ASP 114 Ca -0.10 -1.91 0.11 0.00 0.52 0.00 0.00 54.79 53.40 2ju5 n ASP 114 Cb 0.60 -0.47 0.43 0.00 -0.72 0.00 0.00 41.12 40.96 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 -2.87 1.76 1.16 -1.67 0.00 -1.26 -1.74 120.51 115.90 2ju5 n ALA 115 Ca -0.12 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2ju5 n ALA 115 Cb 0.45 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.78 2ju5 n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ju5 n GLU 116 N -1.97 2.06 -0.73 0.00 4.07 -1.26 -4.81 120.64 118.01 2ju5 n GLU 116 Ca 0.03 -1.58 0.00 0.00 -0.06 0.00 0.00 57.16 55.55 2ju5 n GLU 116 Cb 0.24 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ju5 n GLY 117 N 1.30 0.61 3.75 8.31 0.00 -0.71 -5.03 105.19 113.41 2ju5 n GLY 117 Ca 0.15 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.67 4.67 -0.16 1.61 1.02 -1.26 -4.76 119.74 120.18 2ju5 s LYS 118 Ca 0.00 1.30 -0.27 0.00 0.02 0.00 0.00 55.97 57.03 2ju5 s LYS 118 Cb 0.00 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2ju5 s LYS 118 CO 0.00 0.42 0.89 -1.14 -0.92 0.00 0.00 175.35 174.60 2ju5 s GLN 119 N -0.68 4.32 -0.13 1.68 0.74 -1.26 -0.79 119.66 123.52 2ju5 s GLN 119 Ca 0.40 1.14 0.18 0.00 0.05 0.00 0.00 55.36 57.13 2ju5 s GLN 119 Cb -0.23 -3.58 -0.25 0.00 1.10 0.00 0.00 33.01 30.05 2ju5 s GLN 119 CO 0.28 -0.37 0.27 1.28 -0.55 0.00 0.00 175.29 176.21 2ju5 n LEU 120 N 5.34 0.21 -3.61 3.68 7.99 0.64 -4.98 117.00 126.27 2ju5 n LEU 120 Ca 0.06 0.10 -0.01 0.00 -0.01 0.00 0.00 56.01 56.15 2ju5 n LEU 120 Cb 0.48 0.35 -0.01 0.00 -0.11 0.00 0.00 43.42 44.14 2ju5 n LEU 120 CO 0.49 0.39 1.06 0.00 -1.51 0.00 0.00 177.39 177.83 2ju5 s ALA 121 N -2.66 -2.18 -0.09 -1.18 0.00 -1.18 -4.70 121.76 109.77 2ju5 s ALA 121 Ca -0.08 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2ju5 s ALA 121 Cb 0.07 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2ju5 s ALA 121 CO 0.84 -0.80 0.28 -0.98 0.00 0.00 0.00 175.76 175.10 2ju5 s ARG 122 N -2.36 0.38 0.07 0.00 1.70 -1.26 0.02 118.95 117.50 2ju5 s ARG 122 Ca 0.12 0.29 -0.06 0.00 -0.47 0.00 0.00 55.73 55.61 2ju5 s ARG 122 Cb 0.02 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 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 -0.09 0.74 0.00 3.89 -1.94 0.49 -5.01 119.30 117.38 2ju5 s MET 123 Ca -0.02 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 2ju5 s MET 123 Cb -0.03 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2ju5 s MET 123 CO 0.01 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 2ju5 n GLY 124 N 0.15 5.01 3.72 -0.03 0.00 -1.26 0.39 105.19 113.17 2ju5 n GLY 124 Ca -0.16 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 2.37 3.64 -0.13 1.61 5.36 -1.25 -4.87 117.98 124.71 2ju5 s PHE 125 Ca 0.00 1.62 -0.04 0.00 -0.96 0.00 0.00 56.93 57.55 2ju5 s PHE 125 Cb 0.00 -3.21 0.06 0.00 -0.34 0.00 0.00 43.02 39.53 2ju5 s PHE 125 CO 0.00 -0.38 0.14 -1.21 -1.46 0.00 0.00 175.22 172.31 2ju5 s GLU 126 N 0.34 0.06 0.73 10.12 0.41 -1.26 -5.12 118.70 123.98 2ju5 s GLU 126 Ca 0.51 0.27 -0.16 0.00 -0.41 0.00 0.00 54.97 55.19 2ju5 s GLU 126 Cb -0.26 -0.96 -0.01 0.00 -1.78 0.00 0.00 34.13 31.13 2ju5 s GLU 126 CO 0.31 -0.49 0.81 -2.30 -0.49 0.00 0.00 175.26 173.09 2ju5 n PRO 127 N 5.31 0.40 0.00 0.39 -0.02 -1.26 -4.27 135.00 135.54 2ju5 n PRO 127 Ca -0.05 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2ju5 n PRO 127 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.28 1.53 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.54 2ju5 n GLY 128 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.02 0.22 -0.02 0.00 -1.26 -4.35 105.19 99.80 2ju5 n GLY 129 Ca 0.00 -1.95 -0.09 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 0.76 1.00 -0.02 0.00 -1.89 -2.42 103.07 100.49 2ju5 h GLY 130 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2ju5 h GLY 130 CO 0.00 0.44 0.18 0.00 0.00 0.00 0.00 176.54 177.16 2ju5 h ALA 131 N 0.97 0.35 -0.54 3.60 0.00 -1.92 -2.06 119.26 119.66 2ju5 h ALA 131 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2ju5 h ALA 131 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2ju5 h ALA 131 CO -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.21 2ju5 h ALA 132 N 1.10 1.22 -0.63 0.00 0.00 -1.75 -2.84 119.26 116.36 2ju5 h ALA 132 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 132 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2ju5 h ALA 132 CO -0.02 0.54 0.30 -0.92 0.00 0.00 0.00 179.25 179.15 2ju5 h TYR 133 N 0.80 0.90 -0.47 0.00 3.20 -0.95 -2.79 116.97 117.67 2ju5 h TYR 133 Ca 0.18 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2ju5 h TYR 133 Cb 0.29 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2ju5 h TYR 133 CO 0.02 0.68 -0.05 -0.39 -1.64 0.00 0.00 178.16 176.78 2ju5 h VAL 134 N 0.86 1.25 -0.92 1.81 -1.51 -1.18 -2.20 116.25 114.37 2ju5 h VAL 134 Ca 0.22 -1.09 0.03 0.00 -1.23 0.00 0.00 66.70 64.63 2ju5 h VAL 134 Cb 0.12 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 30.17 2ju5 h VAL 134 CO -0.03 0.38 0.60 0.28 -1.23 0.00 0.00 177.57 177.57 2ju5 h SER 135 N 0.74 1.00 -0.47 4.19 0.02 -1.27 -1.88 113.55 115.88 2ju5 h SER 135 Ca 0.14 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2ju5 h SER 135 Cb 0.52 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2ju5 h SER 135 CO 0.03 0.69 0.15 0.11 -1.14 0.00 0.00 176.83 176.66 2ju5 h LYS 136 N 1.16 0.73 -0.59 3.45 1.57 -1.22 -2.58 116.57 119.10 2ju5 h LYS 136 Ca 0.36 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2ju5 h LYS 136 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2ju5 h LYS 136 CO -0.11 0.69 0.02 -0.24 -0.57 0.00 0.00 179.45 179.23 2ju5 h VAL 137 N 0.62 1.26 -0.60 0.50 3.04 -1.08 -2.23 116.25 117.76 2ju5 h VAL 137 Ca 0.15 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2ju5 h VAL 137 Cb 0.27 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 2ju5 h VAL 137 CO -0.00 0.40 0.39 0.11 -1.01 0.00 0.00 177.57 177.46 2ju5 h LYS 138 N 0.94 0.80 -0.59 4.17 1.57 -1.22 -0.77 116.57 121.46 2ju5 h LYS 138 Ca 0.17 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2ju5 h LYS 138 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2ju5 h LYS 138 CO 0.03 0.54 -0.04 1.03 -0.57 0.00 0.00 179.45 180.43 2ju5 h SER 139 N 0.81 1.06 -0.47 0.86 0.87 -1.31 -1.18 113.55 114.20 2ju5 h SER 139 Ca 0.22 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2ju5 h SER 139 Cb -0.08 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 2ju5 h SER 139 CO -0.05 1.13 0.02 0.00 -0.53 0.00 0.00 176.83 177.40 2ju5 h ALA 140 N 0.97 1.04 -0.01 6.23 0.00 -1.02 -2.83 119.26 123.63 2ju5 h ALA 140 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ju5 h ALA 140 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ju5 h ALA 140 CO 0.04 0.60 -0.09 1.28 0.00 0.00 0.00 179.25 181.08 2ju5 n LEU 141 N -4.21 1.36 -3.19 0.00 4.32 -0.33 -4.78 117.00 110.17 2ju5 n LEU 141 Ca 0.03 -0.42 -0.16 0.00 -0.02 0.00 0.00 56.01 55.43 2ju5 n LEU 141 Cb 0.30 -0.04 0.08 0.00 -1.62 0.00 0.00 43.42 42.14 2ju5 n LEU 141 CO 0.42 0.23 0.12 0.29 -1.22 0.00 0.00 177.39 177.23 2ju5 n LYS 142 N -0.10 -6.10 -3.56 3.23 4.76 -0.58 -4.99 118.16 110.83 2ju5 n LYS 142 Ca 0.16 0.76 -0.38 0.00 -2.87 0.00 0.00 58.31 55.99 2ju5 n LYS 142 Cb 0.36 -5.52 -0.10 0.00 -1.84 0.00 0.00 35.03 27.93 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 -6.01 4.08 0.00 -0.35 1.02 -0.55 -5.05 118.68 111.81 2ju5 s LEU 143 Ca 0.07 0.15 0.27 0.00 0.02 0.00 0.00 54.13 54.64 2ju5 s LEU 143 Cb -0.03 -2.22 0.75 0.00 0.02 0.00 0.00 46.19 44.71 2ju5 s LEU 143 CO 0.65 -0.03 1.57 0.54 0.02 0.00 0.00 176.35 179.10