#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 4.45 0.06 0.00 0.52 -1.26 -5.06 118.95 117.66 2ju5 s ARG 2 Ca 0.00 1.02 -0.06 0.00 -0.52 0.00 0.00 55.73 56.17 2ju5 s ARG 2 Cb 0.00 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 2ju5 s ARG 2 CO 0.00 0.59 0.31 1.03 0.02 0.00 0.00 175.30 177.25 2ju5 s ARG 3 N -1.11 3.61 0.00 3.54 0.52 -1.26 -5.10 118.95 119.14 2ju5 s ARG 3 Ca 0.33 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 2ju5 s ARG 3 Cb -0.22 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2ju5 s ARG 3 CO 0.24 0.58 -0.11 1.03 0.02 0.00 0.00 175.30 177.05 2ju5 s ARG 4 N -2.10 0.89 -0.00 3.54 1.81 -1.26 -5.15 118.95 116.67 2ju5 s ARG 4 Ca 0.33 -0.47 -0.26 0.00 -1.72 0.00 0.00 55.73 53.61 2ju5 s ARG 4 Cb -0.13 -0.86 0.06 0.00 -0.45 0.00 0.00 34.95 33.57 2ju5 s ARG 4 CO 0.20 0.23 0.58 0.00 -0.68 0.00 0.00 175.30 175.63 2ju5 s ALA 5 N -0.40 -1.51 0.23 2.13 0.00 -1.26 -5.05 121.76 115.91 2ju5 s ALA 5 Ca 0.03 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 2ju5 s ALA 5 Cb -0.05 0.18 0.21 0.00 0.00 0.00 0.00 23.12 23.46 2ju5 s ALA 5 CO -0.00 -0.42 1.81 0.77 0.00 0.00 0.00 175.76 177.92 2ju5 h SER 6 N 2.99 1.07 -4.17 0.00 0.02 -2.08 -3.49 113.55 107.88 2ju5 h SER 6 Ca -0.29 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2ju5 h SER 6 Cb 1.18 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2ju5 h SER 6 CO 0.40 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.62 2ju5 n GLY 7 N -0.97 -1.57 3.76 -3.77 0.00 -1.26 -4.89 105.19 96.49 2ju5 n GLY 7 Ca 0.08 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.48 4.19 0.19 1.61 8.01 -1.26 -4.91 118.70 124.04 2ju5 s GLU 8 Ca 0.00 2.46 -0.09 0.00 0.01 0.00 0.00 54.97 57.34 2ju5 s GLU 8 Cb 0.00 -3.03 0.11 0.00 -4.31 0.00 0.00 34.13 26.89 2ju5 s GLU 8 CO 0.00 -0.48 1.72 -0.97 0.01 0.00 0.00 175.26 175.54 2ju5 h ASN 9 N 4.02 1.01 -4.42 -0.19 -1.24 -2.05 -3.43 115.58 109.28 2ju5 h ASN 9 Ca -0.48 -0.22 -0.67 0.00 0.71 0.00 0.00 56.30 55.64 2ju5 h ASN 9 Cb 1.23 -0.27 -0.28 0.00 0.73 0.00 0.00 38.32 39.73 2ju5 h ASN 9 CO 0.72 0.96 -0.88 -0.76 -1.29 0.00 0.00 177.43 176.18 2ju5 s LEU 10 N -9.60 2.11 0.23 0.34 1.43 -1.26 -5.10 118.68 106.82 2ju5 s LEU 10 Ca -0.12 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 2ju5 s LEU 10 Cb 0.14 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 2ju5 s LEU 10 CO 0.83 0.27 1.51 -1.10 0.23 0.00 0.00 176.35 178.09 2ju5 s GLN 11 N -0.92 4.22 0.01 1.70 -0.21 -1.26 -4.92 119.66 118.28 2ju5 s GLN 11 Ca 0.10 2.37 -0.30 0.00 0.02 0.00 0.00 55.36 57.55 2ju5 s GLN 11 Cb -0.10 -3.11 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 2ju5 s GLN 11 CO 0.01 -0.52 1.42 -0.65 -2.12 0.00 0.00 175.29 173.42 2ju5 s GLN 12 N 0.13 4.28 0.72 2.91 -1.52 -1.26 -5.00 119.66 119.92 2ju5 s GLN 12 Ca 0.64 2.00 -0.11 0.00 -1.95 0.00 0.00 55.36 55.93 2ju5 s GLN 12 Cb -0.44 -3.56 0.02 0.00 -0.22 0.00 0.00 33.01 28.82 2ju5 s GLN 12 CO 0.40 -0.58 1.09 0.95 -0.25 0.00 0.00 175.29 176.90 2ju5 s THR 13 N 2.37 3.47 -0.37 -0.19 -4.23 -1.26 -5.03 115.64 110.40 2ju5 s THR 13 Ca 0.65 0.48 0.13 0.00 -1.18 0.00 0.00 61.69 61.76 2ju5 s THR 13 Cb -0.32 -3.40 0.37 0.00 1.34 0.00 0.00 72.50 70.49 2ju5 s THR 13 CO 0.27 -0.62 0.77 0.54 -0.54 0.00 0.00 174.62 175.03 2ju5 n ARG 14 N -3.11 1.04 0.14 3.99 1.74 -1.26 -4.91 116.66 114.29 2ju5 n ARG 14 Ca 0.07 -3.39 0.12 0.00 -0.77 0.00 0.00 57.85 53.88 2ju5 n ARG 14 Cb 0.57 -1.65 0.50 0.00 -1.02 0.00 0.00 32.46 30.85 2ju5 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ju5 n PRO 15 N 0.22 0.20 -4.66 5.56 -0.04 -1.26 -4.63 135.00 130.39 2ju5 n PRO 15 Ca 0.23 0.43 -0.24 0.00 -0.04 0.00 0.00 63.50 63.88 2ju5 n PRO 15 Cb 0.68 -1.89 -0.16 0.00 -0.04 0.00 0.00 33.50 32.10 2ju5 n PRO 15 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ju5 s ILE 16 N -3.33 1.17 0.03 0.52 2.07 -1.26 -5.15 121.20 115.26 2ju5 s ILE 16 Ca 0.04 -0.58 0.06 0.00 -1.41 0.00 0.00 60.65 58.77 2ju5 s ILE 16 Cb 0.09 -1.02 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 2ju5 s ILE 16 CO 0.40 0.35 -0.19 0.00 -1.91 0.00 0.00 174.94 173.59 2ju5 s ALA 17 N 0.10 1.59 0.25 1.50 0.00 -1.26 -5.04 121.76 118.90 2ju5 s ALA 17 Ca -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 2ju5 s ALA 17 Cb -0.10 -0.33 0.31 0.00 0.00 0.00 0.00 23.12 23.00 2ju5 s ALA 17 CO 0.01 0.36 1.75 0.00 0.00 0.00 0.00 175.76 177.89 2ju5 h ALA 18 N 5.12 1.08 -2.20 0.00 0.00 -2.01 -3.45 119.26 117.81 2ju5 h ALA 18 Ca -0.40 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 2ju5 h ALA 18 Cb 1.16 -0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.54 2ju5 h ALA 18 CO 0.45 0.58 0.03 0.00 0.00 0.00 0.00 179.25 180.31 2ju5 s ALA 19 N -5.02 -1.49 0.04 0.00 0.00 -1.26 -5.17 121.76 108.86 2ju5 s ALA 19 Ca -0.10 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.25 2ju5 s ALA 19 Cb 0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2ju5 s ALA 19 CO 0.82 -0.31 -0.13 -0.80 0.00 0.00 0.00 175.76 175.33 2ju5 s ASN 20 N -0.51 1.55 0.24 0.00 0.02 -1.26 -5.00 114.94 109.98 2ju5 s ASN 20 Ca -0.06 -0.45 -0.30 0.00 -1.02 0.00 0.00 52.86 51.02 2ju5 s ASN 20 Cb -0.03 -0.09 -0.09 0.00 0.02 0.00 0.00 41.25 41.06 2ju5 s ASN 20 CO 0.05 0.01 1.05 -0.22 0.02 0.00 0.00 177.10 178.01 2ju5 s LEU 21 N -1.15 4.56 -0.45 0.60 2.96 -1.26 -5.01 118.68 118.93 2ju5 s LEU 21 Ca 0.01 2.14 -0.16 0.00 -0.22 0.00 0.00 54.13 55.89 2ju5 s LEU 21 Cb -0.08 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 43.05 2ju5 s LEU 21 CO 0.01 -0.08 0.40 -1.10 -1.32 0.00 0.00 176.35 174.26 2ju5 s GLN 22 N -1.11 3.00 0.19 1.98 -0.21 -1.26 -5.05 119.66 117.20 2ju5 s GLN 22 Ca 0.45 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 2ju5 s GLN 22 Cb -0.30 -4.07 -0.08 0.00 1.00 0.00 0.00 33.01 29.57 2ju5 s GLN 22 CO 0.37 -0.95 1.02 -1.58 -2.12 0.00 0.00 175.29 172.02 2ju5 s TRP 23 N 1.79 3.76 0.30 0.91 0.51 -1.26 -4.56 118.94 120.39 2ju5 s TRP 23 Ca 0.06 1.76 0.08 0.00 -2.12 0.00 0.00 56.10 55.88 2ju5 s TRP 23 Cb -0.22 -3.13 -0.06 0.00 -0.81 0.00 0.00 33.47 29.25 2ju5 s TRP 23 CO 0.09 -0.07 -0.09 -1.21 -0.51 0.00 0.00 176.95 175.16 2ju5 s GLU 24 N -0.60 1.64 0.56 4.98 2.02 -0.80 -5.05 118.70 121.44 2ju5 s GLU 24 Ca 0.46 -1.82 -0.11 0.00 0.02 0.00 0.00 54.97 53.51 2ju5 s GLU 24 Cb -0.27 -1.39 -0.05 0.00 0.10 0.00 0.00 34.13 32.52 2ju5 s GLU 24 CO 0.33 0.11 0.97 -1.12 0.02 0.00 0.00 175.26 175.56 2ju5 s SER 25 N -3.50 6.34 0.21 -0.19 0.01 -1.26 -4.34 113.70 110.98 2ju5 s SER 25 Ca 0.30 1.36 -0.10 0.00 1.31 0.00 0.00 55.95 58.82 2ju5 s SER 25 Cb 0.02 -2.43 0.17 0.00 0.21 0.00 0.00 66.02 63.98 2ju5 s SER 25 CO 0.13 -0.73 1.88 0.22 0.41 0.00 0.00 173.24 175.15 2ju5 h TYR 26 N 0.13 0.98 -0.50 2.43 3.20 -1.94 0.24 116.97 121.51 2ju5 h TYR 26 Ca -0.45 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.32 2ju5 h TYR 26 Cb 1.19 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 2ju5 h TYR 26 CO 0.64 0.62 -0.17 0.00 -1.64 0.00 0.00 178.16 177.61 2ju5 h ALA 27 N 1.28 0.75 -0.41 1.82 0.00 -2.01 -2.87 119.26 117.83 2ju5 h ALA 27 Ca 0.28 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2ju5 h ALA 27 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2ju5 h ALA 27 CO -0.06 0.67 -0.19 0.93 0.00 0.00 0.00 179.25 180.60 2ju5 h GLU 28 N 0.86 0.79 -0.44 0.00 4.39 -1.76 -3.02 114.58 115.39 2ju5 h GLU 28 Ca 0.12 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 2ju5 h GLU 28 Cb 0.74 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2ju5 h GLU 28 CO 0.06 0.92 0.27 0.00 -1.16 0.00 0.00 179.01 179.09 2ju5 h ALA 29 N 1.09 0.56 -0.64 3.43 0.00 -0.39 -2.69 119.26 120.63 2ju5 h ALA 29 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ju5 h ALA 29 Cb 0.70 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2ju5 h ALA 29 CO 0.05 0.05 0.19 -0.07 0.00 0.00 0.00 179.25 179.47 2ju5 h LEU 30 N 0.58 0.94 -0.97 0.00 3.38 -1.45 -0.44 115.31 117.35 2ju5 h LEU 30 Ca 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2ju5 h LEU 30 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2ju5 h LEU 30 CO -0.03 0.91 0.33 -0.33 0.09 0.00 0.00 178.44 179.41 2ju5 h GLU 31 N 0.93 1.07 -0.23 1.13 5.08 -1.40 0.16 114.58 121.31 2ju5 h GLU 31 Ca 0.20 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2ju5 h GLU 31 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2ju5 h GLU 31 CO -0.00 0.84 -0.02 0.45 -1.00 0.00 0.00 179.01 179.28 2ju5 h HIS 32 N 1.06 0.47 -0.49 4.33 3.86 -1.16 -3.02 115.15 120.20 2ju5 h HIS 32 Ca 0.25 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2ju5 h HIS 32 Cb 0.14 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2ju5 h HIS 32 CO 0.01 0.63 0.11 0.77 0.86 0.00 0.00 177.93 180.31 2ju5 h SER 33 N 0.19 0.70 -0.20 2.45 0.02 -0.55 2.32 113.55 118.48 2ju5 h SER 33 Ca 0.06 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2ju5 h SER 33 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2ju5 h SER 33 CO 0.02 0.70 0.13 0.11 -1.14 0.00 0.00 176.83 176.65 2ju5 h LYS 34 N 0.72 0.16 0.04 3.45 1.57 -0.63 2.30 116.57 124.18 2ju5 h LYS 34 Ca 0.16 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.55 2ju5 h LYS 34 Cb 0.28 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2ju5 h LYS 34 CO -0.00 0.11 -2.26 1.04 -0.57 0.00 0.00 179.45 177.76 2ju5 n GLN 35 N -4.50 0.67 0.02 3.15 6.02 -0.45 -4.59 117.38 117.70 2ju5 n GLN 35 Ca 0.01 0.23 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2ju5 n GLN 35 Cb 0.16 -1.59 -0.12 0.00 1.02 0.00 0.00 30.24 29.71 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 -3.54 0.28 -0.29 1.08 8.00 0.77 -4.99 116.55 117.86 2ju5 n ASP 36 Ca -0.42 0.11 -0.04 0.00 0.71 0.00 0.00 54.79 55.15 2ju5 n ASP 36 Cb 0.97 1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 43.51 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 -2.42 0.00 -2.54 1.24 8.25 0.78 -4.95 115.22 115.58 2ju5 n HIS 37 Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 2ju5 n HIS 37 Cb 0.59 -1.15 -0.03 0.00 1.12 0.00 0.00 29.99 30.52 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 -1.70 4.45 0.70 -0.41 1.02 -1.26 -4.88 119.74 117.67 2ju5 s LYS 38 Ca 0.00 1.61 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 2ju5 s LYS 38 Cb 0.00 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2ju5 s LYS 38 CO 0.00 -0.25 1.07 -2.30 -0.92 0.00 0.00 175.35 172.95 2ju5 n PRO 39 N 4.31 0.65 -4.58 -1.68 -0.02 -1.26 -4.63 135.00 127.78 2ju5 n PRO 39 Ca 0.09 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 2ju5 n PRO 39 Cb 0.48 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.72 3.58 -0.28 4.25 1.01 0.29 -2.38 121.20 125.94 2ju5 s ILE 40 Ca 0.76 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 2ju5 s ILE 40 Cb -0.35 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2ju5 s ILE 40 CO 0.48 0.53 0.08 -0.83 0.00 0.00 0.00 174.94 175.20 2ju5 s GLY 41 N -0.00 1.78 -0.26 6.18 0.00 -0.50 -1.35 107.32 113.16 2ju5 s GLY 41 Ca -0.01 -1.34 -0.14 0.00 0.00 0.00 0.00 44.72 43.22 2ju5 s GLY 41 CO 0.03 0.61 0.34 1.08 0.00 0.00 0.00 173.10 175.16 2ju5 s LEU 42 N 1.54 4.05 -0.48 0.66 1.02 -1.03 -1.47 118.68 122.97 2ju5 s LEU 42 Ca 0.04 0.26 -0.19 0.00 0.02 0.00 0.00 54.13 54.26 2ju5 s LEU 42 Cb -0.16 -2.37 0.05 0.00 0.02 0.00 0.00 46.19 43.72 2ju5 s LEU 42 CO 0.03 -0.14 0.58 0.12 0.02 0.00 0.00 176.35 176.95 2ju5 s PHE 43 N 1.91 3.09 -0.24 0.29 5.36 -0.37 -3.25 117.98 124.77 2ju5 s PHE 43 Ca 0.14 -0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 55.50 2ju5 s PHE 43 Cb -0.16 -3.36 -0.04 0.00 -0.34 0.00 0.00 43.02 39.12 2ju5 s PHE 43 CO 0.10 -0.93 0.34 -0.06 -1.46 0.00 0.00 175.22 173.20 2ju5 s PHE 44 N 2.50 3.30 0.23 10.12 0.40 -1.04 -0.98 117.98 132.51 2ju5 s PHE 44 Ca 0.15 0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.86 2ju5 s PHE 44 Cb -0.18 -2.49 0.02 0.00 0.51 0.00 0.00 43.02 40.88 2ju5 s PHE 44 CO 0.13 -0.09 0.40 0.25 0.70 0.00 0.00 175.22 176.61 2ju5 n THR 45 N 4.68 0.00 -3.66 0.64 -2.24 -1.03 -2.90 114.28 109.77 2ju5 n THR 45 Ca -0.10 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 2ju5 n THR 45 Cb 0.51 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.28 1.60 0.40 3.38 0.00 -1.26 -0.52 107.32 108.65 2ju5 s GLY 46 Ca 0.13 -2.57 0.12 0.00 0.00 0.00 0.00 44.72 42.40 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 6.57 0.48 -0.01 1.64 0.02 -1.86 -1.49 113.55 118.90 2ju5 h SER 47 Ca 0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.92 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.46 0.28 -0.45 0.47 -1.14 0.00 0.00 176.83 176.45 2ju5 n ASP 48 N -4.49 1.59 0.00 3.07 8.00 -1.26 -4.74 116.55 118.72 2ju5 n ASP 48 Ca 0.13 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2ju5 n ASP 48 Cb 0.41 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.31 0.00 -3.84 1.24 4.27 -1.14 -4.89 117.44 112.77 2ju5 n TRP 49 Ca 0.07 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.34 2ju5 n TRP 49 Cb 0.36 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.26 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 n MET 51 N 1.05 0.99 0.27 0.00 1.56 -1.26 -4.27 117.12 115.46 2ju5 n MET 51 Ca -0.11 0.05 0.10 0.00 -0.27 0.00 0.00 57.70 57.47 2ju5 n MET 51 Cb 0.53 -1.40 0.71 0.00 2.15 0.00 0.00 33.22 35.21 2ju5 n MET 51 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 2ju5 h TRP 52 N 0.00 0.00 -0.36 1.12 6.55 -1.95 -0.44 115.95 120.87 2ju5 h TRP 52 Ca -0.43 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.32 2ju5 h TRP 52 Cb 1.82 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.11 2ju5 h TRP 52 CO 0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 178.44 177.28 2ju5 h ILE 54 N 0.52 1.16 -0.34 0.00 2.04 -1.31 0.20 117.51 119.78 2ju5 h ILE 54 Ca 0.09 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2ju5 h ILE 54 Cb 0.65 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2ju5 h ILE 54 CO 0.04 0.17 0.17 0.11 0.00 0.00 0.00 178.15 178.65 2ju5 h LYS 55 N 0.55 0.49 -0.43 2.37 1.79 -1.01 2.44 116.57 122.77 2ju5 h LYS 55 Ca 0.15 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2ju5 h LYS 55 Cb 0.07 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2ju5 h LYS 55 CO -0.02 0.44 0.19 1.98 -1.08 0.00 0.00 179.45 180.96 2ju5 h MET 56 N 0.42 0.63 -0.10 3.15 4.05 -0.72 0.80 114.93 123.15 2ju5 h MET 56 Ca 0.12 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2ju5 h MET 56 Cb 0.10 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2ju5 h MET 56 CO -0.02 0.56 0.00 0.37 0.23 0.00 0.00 176.91 178.05 2ju5 h GLN 57 N 0.55 0.18 -0.25 0.39 4.15 -0.24 0.39 115.11 120.28 2ju5 h GLN 57 Ca 0.15 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.36 2ju5 h GLN 57 Cb 0.14 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2ju5 h GLN 57 CO -0.02 0.43 -0.46 0.22 -1.93 0.00 0.00 178.83 177.07 2ju5 h ASP 58 N -0.10 0.71 0.68 -0.69 1.82 0.44 -0.63 116.42 118.64 2ju5 h ASP 58 Ca 0.03 -0.34 -0.22 0.00 -0.39 0.00 0.00 57.03 56.10 2ju5 h ASP 58 Cb 0.35 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2ju5 h ASP 58 CO 0.01 1.06 -1.45 1.56 -1.61 0.00 0.00 179.24 178.80 2ju5 h GLN 59 N 0.52 0.00 0.00 0.28 1.08 0.63 -3.40 115.11 114.22 2ju5 h GLN 59 Ca 0.03 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2ju5 h GLN 59 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 2ju5 h GLN 59 CO 0.09 0.46 -0.86 -0.89 -0.95 0.00 0.00 178.83 176.68 2ju5 n ILE 60 N -3.02 0.78 -0.30 2.54 5.41 0.13 -3.55 119.36 121.35 2ju5 n ILE 60 Ca -0.11 0.11 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 2ju5 n ILE 60 Cb 0.94 -1.67 0.07 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 -0.23 0.96 -0.88 1.39 -0.00 -1.23 -2.04 115.31 113.29 2ju5 h LEU 61 Ca -0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2ju5 h LEU 61 Cb 0.74 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2ju5 h LEU 61 CO -0.05 0.74 0.00 0.00 -0.00 0.00 0.00 178.44 179.13 2ju5 n GLN 62 N -4.47 1.58 -2.67 1.13 1.13 -0.27 -4.34 117.38 109.48 2ju5 n GLN 62 Ca 0.08 -0.87 -0.33 0.00 -1.94 0.00 0.00 57.00 53.94 2ju5 n GLN 62 Cb 0.05 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2ju5 s SER 63 N -1.61 6.79 0.18 1.08 1.04 -0.77 -4.93 113.70 115.49 2ju5 s SER 63 Ca 0.32 1.67 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 2ju5 s SER 63 Cb 0.17 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.85 2ju5 s SER 63 CO 0.26 -0.46 1.83 0.28 0.98 0.00 0.00 173.24 176.12 2ju5 h SER 64 N 1.59 0.55 -0.62 7.02 0.02 -1.91 -1.45 113.55 118.76 2ju5 h SER 64 Ca -0.48 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2ju5 h SER 64 Cb 1.18 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2ju5 h SER 64 CO 0.61 0.39 0.26 -0.33 -1.14 0.00 0.00 176.83 176.62 2ju5 h GLU 65 N 0.67 0.92 -0.37 3.45 4.39 -1.91 -1.61 114.58 120.12 2ju5 h GLU 65 Ca 0.21 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2ju5 h GLU 65 Cb -0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2ju5 h GLU 65 CO -0.08 0.78 0.11 0.35 -1.16 0.00 0.00 179.01 179.00 2ju5 h PHE 66 N 0.87 0.61 -0.58 4.33 3.04 -1.71 -0.78 116.94 122.71 2ju5 h PHE 66 Ca 0.21 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2ju5 h PHE 66 Cb 0.19 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 2ju5 h PHE 66 CO 0.01 0.59 0.38 0.87 -2.02 0.00 0.00 178.31 178.14 2ju5 h LYS 67 N 0.45 0.77 -0.14 1.11 1.57 -1.08 0.15 116.57 119.40 2ju5 h LYS 67 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2ju5 h LYS 67 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2ju5 h LYS 67 CO -0.00 0.52 0.02 1.25 -0.57 0.00 0.00 179.45 180.67 2ju5 h HIS 68 N 0.79 0.25 0.04 -1.35 2.76 -1.16 0.63 115.15 117.12 2ju5 h HIS 68 Ca 0.21 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2ju5 h HIS 68 Cb -0.08 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.81 2ju5 h HIS 68 CO -0.03 0.42 -0.02 0.35 -1.30 0.00 0.00 177.93 177.35 2ju5 h PHE 69 N 0.01 -0.05 -0.28 5.26 3.57 -0.90 -2.71 116.94 121.83 2ju5 h PHE 69 Ca 0.04 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 2ju5 h PHE 69 Cb 0.31 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2ju5 h PHE 69 CO 0.02 0.05 -0.33 0.00 -2.23 0.00 0.00 178.31 175.82 2ju5 h ALA 70 N 0.81 0.90 -0.42 2.41 0.00 -0.72 0.13 119.26 122.36 2ju5 h ALA 70 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2ju5 h ALA 70 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ju5 h ALA 70 CO 0.01 0.63 0.06 0.78 0.00 0.00 0.00 179.25 180.73 2ju5 h GLY 71 N 1.02 0.69 0.55 0.00 0.00 -0.83 0.21 103.07 104.70 2ju5 h GLY 71 Ca 0.06 -0.40 -0.29 0.00 0.00 0.00 0.00 47.33 46.70 2ju5 h GLY 71 CO 0.07 0.37 -1.49 -2.08 0.00 0.00 0.00 176.54 173.41 2ju5 h VAL 72 N 0.62 0.97 -0.01 4.60 2.07 -1.33 -3.42 116.25 119.75 2ju5 h VAL 72 Ca 0.14 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.27 2ju5 h VAL 72 Cb 0.30 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2ju5 h VAL 72 CO 0.00 0.71 -0.33 1.41 0.02 0.00 0.00 177.57 179.39 2ju5 n HIS 73 N -3.88 0.00 -4.18 1.57 -0.00 0.42 -5.07 115.22 104.08 2ju5 n HIS 73 Ca -0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.35 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 -1.96 1.58 -0.16 2.41 1.02 0.72 -4.19 118.68 118.10 2ju5 s LEU 74 Ca 0.10 -1.28 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 2ju5 s LEU 74 Cb 0.10 0.29 -0.01 0.00 0.02 0.00 0.00 46.19 46.59 2ju5 s LEU 74 CO 0.36 -0.76 -0.13 -1.00 0.02 0.00 0.00 176.35 174.85 2ju5 s HIS 75 N -4.04 2.82 -0.12 0.29 3.76 -1.00 -4.51 115.29 112.49 2ju5 s HIS 75 Ca 0.30 -0.92 -0.05 0.00 -0.15 0.00 0.00 55.06 54.24 2ju5 s HIS 75 Cb 0.07 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 2ju5 s HIS 75 CO 0.06 -0.42 0.08 1.41 -0.85 0.00 0.00 174.74 175.02 2ju5 s MET 76 N 0.81 3.38 -0.06 1.40 1.75 -1.26 -1.40 119.30 123.91 2ju5 s MET 76 Ca -0.05 -0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.16 2ju5 s MET 76 Cb -0.15 -3.06 0.01 0.00 2.84 0.00 0.00 34.83 34.47 2ju5 s MET 76 CO 0.01 0.66 -0.15 0.08 -0.65 0.00 0.00 175.02 174.97 2ju5 s VAL 77 N -0.72 1.29 -0.22 10.11 1.01 -0.54 -1.91 120.40 129.41 2ju5 s VAL 77 Ca 0.12 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 2ju5 s VAL 77 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2ju5 s VAL 77 CO 0.03 0.38 0.30 -0.70 0.00 0.00 0.00 175.10 175.11 2ju5 s GLU 78 N 0.42 4.12 -0.37 2.72 2.12 -1.26 -1.23 118.70 125.21 2ju5 s GLU 78 Ca -0.11 0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2ju5 s GLU 78 Cb -0.14 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.81 2ju5 s GLU 78 CO 0.04 -0.03 0.15 0.08 -0.54 0.00 0.00 175.26 174.96 2ju5 s VAL 79 N 1.30 1.37 0.10 3.70 1.01 -0.15 -4.92 120.40 122.81 2ju5 s VAL 79 Ca 0.14 -2.07 0.05 0.00 0.00 0.00 0.00 61.98 60.10 2ju5 s VAL 79 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2ju5 s VAL 79 CO 0.07 -0.75 0.03 1.51 0.00 0.00 0.00 175.10 175.95 2ju5 s ASP 80 N 0.95 5.15 -0.59 3.32 -4.77 -1.26 -2.47 116.67 116.99 2ju5 s ASP 80 Ca 0.13 -0.15 0.06 0.00 -3.30 0.00 0.00 52.55 49.29 2ju5 s ASP 80 Cb -0.21 -1.26 0.22 0.00 -1.09 0.00 0.00 42.92 40.58 2ju5 s ASP 80 CO -0.12 0.16 0.60 0.49 0.70 0.00 0.00 175.17 177.01 2ju5 n PHE 81 N 0.43 2.44 -1.52 2.11 3.01 0.33 -4.94 117.46 119.31 2ju5 n PHE 81 Ca -0.10 -4.02 -0.31 0.00 1.01 0.00 0.00 57.45 54.03 2ju5 n PHE 81 Cb 0.52 -0.46 0.06 0.00 -0.01 0.00 0.00 39.48 39.59 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ju5 s PRO 82 N -1.75 2.72 0.09 -1.08 0.04 -1.26 -4.50 135.00 129.25 2ju5 s PRO 82 Ca 0.34 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 2ju5 s PRO 82 Cb 0.09 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 2ju5 s PRO 82 CO -0.09 -1.28 1.33 -0.56 0.04 0.00 0.00 177.00 176.44 2ju5 h GLN 83 N -0.70 0.74 -4.06 4.56 3.07 -1.96 -3.36 115.11 113.40 2ju5 h GLN 83 Ca -0.44 -0.52 -0.76 0.00 0.09 0.00 0.00 58.65 57.02 2ju5 h GLN 83 Cb 1.22 0.08 -0.26 0.00 0.08 0.00 0.00 27.48 28.61 2ju5 h GLN 83 CO 0.55 1.14 -0.19 -1.59 0.09 0.00 0.00 178.83 178.83 2ju5 s LYS 84 N -3.94 3.02 -0.01 0.06 -2.85 -1.26 -5.04 119.74 109.72 2ju5 s LYS 84 Ca -0.11 -1.89 -0.27 0.00 -1.00 0.00 0.00 55.97 52.70 2ju5 s LYS 84 Cb 0.08 -4.25 -0.04 0.00 -2.06 0.00 0.00 37.83 31.56 2ju5 s LYS 84 CO 0.87 -1.30 0.84 -0.80 0.10 0.00 0.00 175.35 175.06 2ju5 s ASN 85 N 3.09 7.22 -0.01 0.03 0.01 -1.26 -4.92 114.94 119.10 2ju5 s ASN 85 Ca 0.07 1.47 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 2ju5 s ASN 85 Cb -0.25 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 38.92 2ju5 s ASN 85 CO -0.00 -0.14 0.70 1.41 -1.51 0.00 0.00 177.10 177.55 2ju5 n HIS 86 N 3.57 0.00 -3.01 2.20 8.25 -1.26 -5.08 115.22 119.89 2ju5 n HIS 86 Ca 0.02 -0.11 -0.33 0.00 -0.26 0.00 0.00 57.72 57.04 2ju5 n HIS 86 Cb 0.51 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2ju5 n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ju5 s GLN 87 N -0.25 4.11 0.73 -0.41 -1.52 -1.26 -5.04 119.66 116.01 2ju5 s GLN 87 Ca 0.01 0.86 -0.14 0.00 -1.95 0.00 0.00 55.36 54.14 2ju5 s GLN 87 Cb 0.01 -2.36 0.04 0.00 -0.22 0.00 0.00 33.01 30.48 2ju5 s GLN 87 CO 0.00 0.09 1.16 -1.25 -0.25 0.00 0.00 175.29 175.05 2ju5 s PRO 88 N -3.01 2.27 0.21 2.91 0.04 -1.26 -4.77 135.00 131.39 2ju5 s PRO 88 Ca 0.57 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2ju5 s PRO 88 Cb -0.10 -1.87 0.29 0.00 0.04 0.00 0.00 34.50 32.86 2ju5 s PRO 88 CO 0.16 -1.70 1.70 0.93 0.04 0.00 0.00 177.00 178.13 2ju5 h GLU 89 N -0.38 0.23 -0.88 4.56 5.08 -1.99 -1.49 114.58 119.70 2ju5 h GLU 89 Ca -0.47 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2ju5 h GLU 89 Cb 1.27 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2ju5 h GLU 89 CO 0.50 0.15 0.58 0.93 -1.00 0.00 0.00 179.01 180.17 2ju5 h GLU 90 N 0.23 1.11 -0.40 2.33 3.07 -2.00 -0.67 114.58 118.26 2ju5 h GLU 90 Ca 0.31 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 2ju5 h GLU 90 Cb 0.47 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2ju5 h GLU 90 CO -0.42 0.74 -0.32 0.37 -1.40 0.00 0.00 179.01 177.98 2ju5 h GLN 91 N 1.15 0.90 -0.48 2.33 4.15 -1.69 -2.51 115.11 118.96 2ju5 h GLN 91 Ca 0.33 -0.43 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 2ju5 h GLN 91 Cb -0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2ju5 h GLN 91 CO -0.09 1.08 0.02 0.00 -1.93 0.00 0.00 178.83 177.91 2ju5 h ARG 92 N 0.75 0.83 -0.37 1.69 2.47 -0.64 -1.28 114.38 117.84 2ju5 h ARG 92 Ca 0.08 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2ju5 h ARG 92 Cb 0.89 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.11 2ju5 h ARG 92 CO 0.08 0.87 0.17 1.96 0.56 0.00 0.00 179.97 183.62 2ju5 h GLN 93 N 0.69 0.53 -0.35 0.04 4.20 -1.10 -1.47 115.11 117.66 2ju5 h GLN 93 Ca 0.14 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2ju5 h GLN 93 Cb 0.48 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2ju5 h GLN 93 CO 0.02 0.48 0.21 -0.22 -0.67 0.00 0.00 178.83 178.64 2ju5 h LYS 94 N 0.46 0.48 -0.86 1.46 3.64 -1.38 -1.58 116.57 118.78 2ju5 h LYS 94 Ca 0.13 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2ju5 h LYS 94 Cb 0.12 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2ju5 h LYS 94 CO -0.02 0.37 0.56 -0.91 -2.27 0.00 0.00 179.45 177.18 2ju5 h ASN 95 N 0.45 0.95 -0.55 4.20 2.35 -1.02 0.49 115.58 122.45 2ju5 h ASN 95 Ca 0.12 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2ju5 h ASN 95 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2ju5 h ASN 95 CO -0.02 0.67 0.03 1.56 -1.65 0.00 0.00 177.43 178.02 2ju5 h GLN 96 N 1.12 0.99 -0.53 0.81 4.20 -0.98 0.32 115.11 121.03 2ju5 h GLN 96 Ca 0.33 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 96 Cb -0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2ju5 h GLN 96 CO -0.09 0.95 0.14 1.49 -0.67 0.00 0.00 178.83 180.65 2ju5 h GLU 97 N 0.91 0.85 -0.59 1.46 4.81 -0.55 -2.52 114.58 118.95 2ju5 h GLU 97 Ca 0.17 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2ju5 h GLU 97 Cb 0.49 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2ju5 h GLU 97 CO 0.02 0.80 0.08 1.25 -0.73 0.00 0.00 179.01 180.42 2ju5 h LEU 98 N 0.74 0.95 -1.36 1.64 5.85 -0.61 0.75 115.31 123.28 2ju5 h LEU 98 Ca 0.17 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2ju5 h LEU 98 Cb 0.32 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2ju5 h LEU 98 CO 0.00 0.98 0.46 0.50 -0.34 0.00 0.00 178.44 180.04 2ju5 h LYS 99 N 0.89 0.82 0.14 1.25 3.64 -0.75 -2.06 116.57 120.50 2ju5 h LYS 99 Ca 0.18 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.22 2ju5 h LYS 99 Cb 0.45 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2ju5 h LYS 99 CO 0.02 0.54 -1.35 0.00 -2.27 0.00 0.00 179.45 176.39 2ju5 h ALA 100 N 1.59 0.11 -0.36 5.00 0.00 -1.11 0.05 119.26 124.54 2ju5 h ALA 100 Ca 0.27 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2ju5 h ALA 100 Cb 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ju5 h ALA 100 CO -0.07 0.99 0.16 0.37 0.00 0.00 0.00 179.25 180.70 2ju5 h GLN 101 N 0.08 0.33 -0.61 0.00 4.15 -0.18 -2.04 115.11 116.85 2ju5 h GLN 101 Ca -0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2ju5 h GLN 101 Cb 2.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.62 2ju5 h GLN 101 CO 0.20 0.22 0.00 0.66 -1.93 0.00 0.00 178.83 177.98 2ju5 n TYR 102 N -4.96 1.04 -3.78 3.99 4.01 -0.92 -4.94 117.16 111.60 2ju5 n TYR 102 Ca 0.01 -0.44 -0.26 0.00 -0.16 0.00 0.00 57.90 57.06 2ju5 n TYR 102 Cb 0.10 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.91 -3.07 -3.15 -0.72 5.02 -0.77 -4.93 118.16 111.45 2ju5 n LYS 103 Ca 0.20 0.49 -0.40 0.00 -2.02 0.00 0.00 58.31 56.58 2ju5 n LYS 103 Cb 0.65 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 30.98 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 -3.71 5.06 0.00 -0.18 1.01 -0.00 -4.91 120.40 117.67 2ju5 s VAL 104 Ca 0.16 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2ju5 s VAL 104 Cb -0.06 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2ju5 s VAL 104 CO 0.85 0.17 0.00 0.35 0.00 0.00 0.00 175.10 176.48 2ju5 n THR 105 N 4.39 0.00 -3.95 3.92 -2.24 -1.26 -4.80 114.28 110.34 2ju5 n THR 105 Ca -0.03 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 2ju5 n THR 105 Cb 0.50 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 106 N -4.98 2.15 0.11 3.38 0.00 -1.26 -5.12 107.32 101.60 2ju5 s GLY 106 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.93 2ju5 s GLY 106 CO 0.00 -0.82 -0.18 -0.11 0.00 0.00 0.00 173.10 171.98 2ju5 s PHE 107 N -1.45 1.61 0.28 1.90 -0.12 -1.26 -3.97 117.98 114.97 2ju5 s PHE 107 Ca 0.32 -0.45 -0.28 0.00 -0.05 0.00 0.00 56.93 56.47 2ju5 s PHE 107 Cb -0.13 -0.87 -0.09 0.00 -0.63 0.00 0.00 43.02 41.30 2ju5 s PHE 107 CO 0.25 0.18 0.99 -1.25 -0.05 0.00 0.00 175.22 175.34 2ju5 s PRO 108 N -2.09 4.68 -0.06 1.99 0.04 -1.26 -4.77 135.00 133.53 2ju5 s PRO 108 Ca 0.06 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2ju5 s PRO 108 Cb -0.09 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2ju5 s PRO 108 CO 0.04 0.33 -0.03 -2.00 0.04 0.00 0.00 177.00 175.38 2ju5 s GLU 109 N -1.55 0.78 -0.20 4.56 2.56 -1.14 -3.70 118.70 120.00 2ju5 s GLU 109 Ca 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.97 55.36 2ju5 s GLU 109 Cb -0.26 -0.92 -0.00 0.00 2.00 0.00 0.00 34.13 34.95 2ju5 s GLU 109 CO 0.32 -0.17 -0.08 -1.17 -0.56 0.00 0.00 175.26 173.60 2ju5 s LEU 110 N 1.33 2.74 -0.12 2.70 0.20 0.28 -2.49 118.68 123.32 2ju5 s LEU 110 Ca -0.05 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.35 2ju5 s LEU 110 Cb -0.13 -1.68 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2ju5 s LEU 110 CO -0.02 0.00 -0.16 0.68 -0.29 0.00 0.00 176.35 176.56 2ju5 s VAL 111 N 1.33 2.80 -0.24 1.68 -7.23 -1.20 -0.06 120.40 117.48 2ju5 s VAL 111 Ca 0.04 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 2ju5 s VAL 111 Cb -0.14 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 2ju5 s VAL 111 CO -0.04 0.53 0.23 -0.36 -0.31 0.00 0.00 175.10 175.15 2ju5 s PHE 112 N 0.33 3.31 0.11 2.82 0.08 0.93 -2.47 117.98 123.10 2ju5 s PHE 112 Ca -0.13 0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.28 2ju5 s PHE 112 Cb -0.16 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 2ju5 s PHE 112 CO 0.06 0.01 -0.12 0.96 -0.10 0.00 0.00 175.22 176.03 2ju5 s ILE 113 N 1.24 1.17 0.46 0.64 -4.36 -0.46 -0.09 121.20 119.80 2ju5 s ILE 113 Ca 0.10 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 58.77 2ju5 s ILE 113 Cb -0.14 -1.48 0.09 0.00 1.25 0.00 0.00 42.46 42.18 2ju5 s ILE 113 CO 0.06 -0.49 0.63 -0.90 0.24 0.00 0.00 174.94 174.48 2ju5 n ASP 114 N 0.49 0.72 0.10 4.36 5.75 -0.29 0.10 116.55 127.79 2ju5 n ASP 114 Ca -0.15 -1.64 0.11 0.00 -0.01 0.00 0.00 54.79 53.10 2ju5 n ASP 114 Cb 0.58 -0.42 0.45 0.00 -1.03 0.00 0.00 41.12 40.69 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ju5 n ALA 115 N -3.02 1.68 1.07 2.12 0.00 -1.26 -1.76 120.51 119.35 2ju5 n ALA 115 Ca -0.10 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2ju5 n ALA 115 Cb 0.36 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.08 2.12 -0.69 0.00 1.02 -1.26 -4.82 120.64 114.93 2ju5 n GLU 116 Ca 0.03 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 2ju5 n GLU 116 Cb 0.22 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.33 0.62 3.74 0.62 0.00 -0.72 -5.04 105.19 105.75 2ju5 n GLY 117 Ca 0.14 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.72 4.52 -0.11 1.61 1.02 -1.26 -4.76 119.74 120.04 2ju5 s LYS 118 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 2ju5 s LYS 118 Cb 0.00 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2ju5 s LYS 118 CO 0.00 0.29 1.11 -1.14 -0.92 0.00 0.00 175.35 174.69 2ju5 s GLN 119 N -0.09 4.35 -0.13 1.68 0.74 -1.26 -1.13 119.66 123.81 2ju5 s GLN 119 Ca 0.39 1.53 0.16 0.00 0.05 0.00 0.00 55.36 57.49 2ju5 s GLN 119 Cb -0.21 -3.59 -0.24 0.00 1.10 0.00 0.00 33.01 30.07 2ju5 s GLN 119 CO 0.24 -0.45 0.31 1.28 -0.55 0.00 0.00 175.29 176.11 2ju5 n LEU 120 N 5.44 0.34 -3.59 3.68 4.32 0.86 -4.98 117.00 123.07 2ju5 n LEU 120 Ca 0.11 0.16 0.02 0.00 -0.02 0.00 0.00 56.01 56.27 2ju5 n LEU 120 Cb 0.47 0.36 -0.01 0.00 -1.62 0.00 0.00 43.42 42.63 2ju5 n LEU 120 CO 0.54 0.44 1.15 0.00 -1.22 0.00 0.00 177.39 178.30 2ju5 s ALA 121 N -2.55 -2.35 -0.09 -1.18 0.00 -1.21 -4.62 121.76 109.76 2ju5 s ALA 121 Ca -0.08 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2ju5 s ALA 121 Cb 0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2ju5 s ALA 121 CO 0.83 -0.95 0.31 -0.98 0.00 0.00 0.00 175.76 174.97 2ju5 s ARG 122 N -2.19 0.45 0.06 0.00 1.70 -1.26 -0.05 118.95 117.66 2ju5 s ARG 122 Ca 0.14 0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 55.59 2ju5 s ARG 122 Cb 0.05 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2ju5 s ARG 122 CO -0.05 -0.08 0.13 -1.64 -1.08 0.00 0.00 175.30 172.57 2ju5 s MET 123 N -0.25 0.73 0.00 3.89 -1.94 0.91 -4.99 119.30 117.64 2ju5 s MET 123 Ca -0.04 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 2ju5 s MET 123 Cb -0.03 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.09 2ju5 s MET 123 CO 0.01 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 2ju5 n GLY 124 N 0.22 5.12 3.72 -0.03 0.00 -1.26 0.99 105.19 113.95 2ju5 n GLY 124 Ca -0.16 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 2.76 3.63 -0.18 1.61 5.36 -1.24 -4.86 117.98 125.05 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 -3.19 0.08 0.00 -0.34 0.00 0.00 43.02 39.57 2ju5 s PHE 125 CO 0.00 -0.31 0.22 -1.21 -1.46 0.00 0.00 175.22 172.46 2ju5 s GLU 126 N 0.76 0.17 0.87 10.12 0.41 -1.26 -5.11 118.70 124.66 2ju5 s GLU 126 Ca 0.53 0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 55.29 2ju5 s GLU 126 Cb -0.24 -0.89 0.03 0.00 -1.78 0.00 0.00 34.13 31.25 2ju5 s GLU 126 CO 0.29 -0.55 0.55 -2.30 -0.49 0.00 0.00 175.26 172.76 2ju5 n PRO 127 N 5.33 -0.09 0.00 0.39 -0.02 -1.26 -4.40 135.00 134.95 2ju5 n PRO 127 Ca -0.05 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ju5 n PRO 127 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.39 1.48 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.61 2ju5 n GLY 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.24 -0.02 0.00 -1.26 -4.31 105.19 99.85 2ju5 n GLY 129 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 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 0.83 0.98 -0.02 0.00 -1.87 -2.04 103.07 100.96 2ju5 h GLY 130 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2ju5 h GLY 130 CO 0.00 0.48 0.21 0.00 0.00 0.00 0.00 176.54 177.22 2ju5 h ALA 131 N 1.00 0.44 -0.67 3.60 0.00 -1.93 -2.32 119.26 119.38 2ju5 h ALA 131 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2ju5 h ALA 131 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ju5 h ALA 131 CO -0.00 -0.06 0.15 0.00 0.00 0.00 0.00 179.25 179.34 2ju5 h ALA 132 N 1.08 1.00 -0.66 0.00 0.00 -1.73 -2.87 119.26 116.08 2ju5 h ALA 132 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2ju5 h ALA 132 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2ju5 h ALA 132 CO -0.02 0.65 0.29 -0.92 0.00 0.00 0.00 179.25 179.24 2ju5 h TYR 133 N 1.02 0.99 -0.28 0.00 5.03 -1.10 -2.72 116.97 119.90 2ju5 h TYR 133 Ca 0.21 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 2ju5 h TYR 133 Cb 0.37 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2ju5 h TYR 133 CO 0.03 0.76 -0.20 -0.39 -1.32 0.00 0.00 178.16 177.03 2ju5 h VAL 134 N 0.93 1.25 -0.75 1.81 -1.51 -1.32 -2.20 116.25 114.47 2ju5 h VAL 134 Ca 0.22 -1.19 0.02 0.00 -1.23 0.00 0.00 66.70 64.52 2ju5 h VAL 134 Cb 0.17 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 2ju5 h VAL 134 CO -0.02 0.38 0.48 -1.28 -1.23 0.00 0.00 177.57 175.91 2ju5 h SER 135 N 0.47 0.82 -0.54 4.19 0.87 -1.27 -1.87 113.55 116.22 2ju5 h SER 135 Ca 0.07 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2ju5 h SER 135 Cb 0.61 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2ju5 h SER 135 CO 0.04 0.58 0.11 0.50 -0.53 0.00 0.00 176.83 177.53 2ju5 h LYS 136 N 0.97 0.87 -0.55 2.24 3.64 -1.27 -2.69 116.57 119.77 2ju5 h LYS 136 Ca 0.29 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2ju5 h LYS 136 Cb -0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2ju5 h LYS 136 CO -0.09 0.83 -0.01 -0.24 -2.27 0.00 0.00 179.45 177.67 2ju5 h VAL 137 N 0.76 1.26 -0.72 2.00 3.04 -1.10 -1.89 116.25 119.61 2ju5 h VAL 137 Ca 0.17 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 2ju5 h VAL 137 Cb 0.37 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 2ju5 h VAL 137 CO 0.01 0.40 0.46 0.11 -1.01 0.00 0.00 177.57 177.54 2ju5 h LYS 138 N 0.88 0.95 -0.58 4.17 1.57 -1.22 0.12 116.57 122.47 2ju5 h LYS 138 Ca 0.16 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2ju5 h LYS 138 Cb 0.53 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2ju5 h LYS 138 CO 0.03 0.65 -0.01 1.03 -0.57 0.00 0.00 179.45 180.58 2ju5 h SER 139 N 0.97 1.01 -0.53 0.86 0.87 -1.28 0.29 113.55 115.75 2ju5 h SER 139 Ca 0.26 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 2ju5 h SER 139 Cb -0.08 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.59 2ju5 h SER 139 CO -0.05 1.07 -0.13 0.00 -0.53 0.00 0.00 176.83 177.19 2ju5 h ALA 140 N 0.97 0.76 -0.01 6.23 0.00 -0.75 -2.97 119.26 123.48 2ju5 h ALA 140 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ju5 h ALA 140 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ju5 h ALA 140 CO 0.03 0.67 -0.13 1.28 0.00 0.00 0.00 179.25 181.10 2ju5 n LEU 141 N -4.14 1.20 -3.16 0.00 4.32 0.37 -4.68 117.00 110.91 2ju5 n LEU 141 Ca 0.01 -0.35 -0.16 0.00 -0.02 0.00 0.00 56.01 55.49 2ju5 n LEU 141 Cb 0.41 -0.07 0.08 0.00 -1.62 0.00 0.00 43.42 42.22 2ju5 n LEU 141 CO 0.46 0.21 0.11 0.29 -1.22 0.00 0.00 177.39 177.24 2ju5 n LYS 142 N -0.29 -6.02 -3.48 3.23 4.76 -0.08 -4.99 118.16 111.29 2ju5 n LYS 142 Ca 0.15 0.75 -0.38 0.00 -2.87 0.00 0.00 58.31 55.96 2ju5 n LYS 142 Cb 0.35 -5.49 -0.10 0.00 -1.84 0.00 0.00 35.03 27.95 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 4.04 0.00 -0.35 1.02 -0.20 -5.04 118.68 112.20 2ju5 s LEU 143 Ca 0.06 0.18 0.26 0.00 0.02 0.00 0.00 54.13 54.65 2ju5 s LEU 143 Cb -0.03 -2.29 0.56 0.00 0.02 0.00 0.00 46.19 44.45 2ju5 s LEU 143 CO 0.65 -0.11 1.47 -1.14 0.02 0.00 0.00 176.35 177.23