#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 3.03 0.30 0.00 0.52 -1.26 -5.01 118.95 116.54 2ju5 s ARG 2 Ca 0.00 -0.37 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 2ju5 s ARG 2 Cb 0.00 -2.84 0.45 0.00 0.52 0.00 0.00 34.95 33.08 2ju5 s ARG 2 CO 0.00 0.71 1.87 0.00 0.02 0.00 0.00 175.30 177.90 2ju5 h ARG 3 N 5.14 0.82 -5.65 3.54 3.08 -2.13 -3.48 114.38 115.71 2ju5 h ARG 3 Ca -0.51 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.40 2ju5 h ARG 3 Cb 1.20 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2ju5 h ARG 3 CO 0.55 0.70 -0.98 0.54 -1.07 0.00 0.00 179.97 179.71 2ju5 n ARG 4 N -4.31 -2.35 -1.73 0.04 1.74 -1.26 -4.80 116.66 103.99 2ju5 n ARG 4 Ca 0.04 2.05 -0.42 0.00 -0.77 0.00 0.00 57.85 58.75 2ju5 n ARG 4 Cb 0.19 -3.38 -0.01 0.00 -1.02 0.00 0.00 32.46 28.24 2ju5 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ju5 n ALA 5 N 1.25 1.80 -1.05 7.54 0.00 -1.26 -4.95 120.51 123.84 2ju5 n ALA 5 Ca -0.06 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2ju5 n ALA 5 Cb 0.26 -2.34 0.16 0.00 0.00 0.00 0.00 19.45 17.53 2ju5 n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ju5 s SER 6 N -0.04 3.08 0.45 0.00 1.04 -1.26 -4.90 113.70 112.06 2ju5 s SER 6 Ca 0.58 1.58 0.12 0.00 0.48 0.00 0.00 55.95 58.71 2ju5 s SER 6 Cb -0.54 -2.24 1.01 0.00 0.10 0.00 0.00 66.02 64.35 2ju5 s SER 6 CO 0.59 -2.90 2.05 1.23 0.98 0.00 0.00 173.24 175.18 2ju5 h GLY 7 N -1.73 0.21 -4.78 7.32 0.00 -2.03 -3.43 103.07 98.62 2ju5 h GLY 7 Ca -0.50 -0.09 -0.61 0.00 0.00 0.00 0.00 47.33 46.12 2ju5 h GLY 7 CO 0.52 0.09 0.44 -2.21 0.00 0.00 0.00 176.54 175.38 2ju5 n GLU 8 N -4.43 1.63 -2.62 4.80 2.13 -1.26 -4.90 120.64 115.99 2ju5 n GLU 8 Ca -0.01 0.58 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 2ju5 n GLU 8 Cb 0.15 -2.15 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 2ju5 n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2ju5 s ASN 9 N 0.10 7.25 -0.03 4.31 0.01 -1.26 -5.03 114.94 120.28 2ju5 s ASN 9 Ca 0.69 1.73 0.06 0.00 -0.71 0.00 0.00 52.86 54.63 2ju5 s ASN 9 Cb -0.73 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.35 2ju5 s ASN 9 CO 0.52 -0.37 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.78 2ju5 s LEU 10 N 1.32 2.00 0.00 0.60 1.43 -1.26 -5.07 118.68 117.70 2ju5 s LEU 10 Ca 0.53 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2ju5 s LEU 10 Cb -0.23 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2ju5 s LEU 10 CO 0.26 0.22 0.00 0.00 0.23 0.00 0.00 176.35 177.05 2ju5 n GLN 11 N 2.83 0.00 -2.27 1.70 6.02 -1.26 -4.46 117.38 119.94 2ju5 n GLN 11 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 2ju5 n GLN 11 Cb 0.53 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.76 2ju5 n GLN 11 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2ju5 s GLN 12 N 0.00 4.28 0.00 -1.09 -0.21 -1.26 -4.89 119.66 116.49 2ju5 s GLN 12 Ca 0.00 1.90 0.24 0.00 0.02 0.00 0.00 55.36 57.52 2ju5 s GLN 12 Cb 0.00 -3.63 0.25 0.00 1.00 0.00 0.00 33.01 30.63 2ju5 s GLN 12 CO 0.00 -0.59 1.30 0.25 -2.12 0.00 0.00 175.29 174.13 2ju5 n THR 13 N 4.80 0.13 -3.27 -0.19 -2.24 -1.26 -4.61 114.28 107.65 2ju5 n THR 13 Ca 0.13 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 2ju5 n THR 13 Cb 0.44 1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 69.97 2ju5 n THR 13 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ju5 n ARG 14 N 1.39 1.35 -0.32 -0.78 5.12 -1.26 -4.96 116.66 117.20 2ju5 n ARG 14 Ca 0.15 -3.73 0.19 0.00 -1.93 0.00 0.00 57.85 52.53 2ju5 n ARG 14 Cb 0.60 -1.58 0.44 0.00 -1.16 0.00 0.00 32.46 30.77 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 4.05 0.51 -5.32 5.56 0.11 -2.02 -3.39 132.00 131.50 2ju5 h PRO 15 Ca 0.12 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.57 2ju5 h PRO 15 Cb 0.80 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 31.62 2ju5 h PRO 15 CO 0.59 0.34 -0.61 0.42 -0.21 0.00 0.00 178.00 178.54 2ju5 s ILE 16 N -5.62 4.41 0.20 4.15 1.01 -1.26 -4.94 121.20 119.15 2ju5 s ILE 16 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2ju5 s ILE 16 Cb 0.25 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2ju5 s ILE 16 CO 0.80 0.48 0.00 0.00 0.00 0.00 0.00 174.94 176.22 2ju5 n ALA 17 N 3.45 -2.36 -1.78 9.38 0.00 -1.26 -4.92 120.51 123.02 2ju5 n ALA 17 Ca -0.17 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 2ju5 n ALA 17 Cb 0.52 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 s ALA 18 N -1.76 2.95 0.98 0.00 0.00 -1.26 -4.87 121.76 117.80 2ju5 s ALA 18 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 2ju5 s ALA 18 Cb 0.00 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.95 2ju5 s ALA 18 CO 0.00 -0.55 1.13 0.00 0.00 0.00 0.00 175.76 176.34 2ju5 s ALA 19 N -1.64 1.41 0.28 0.00 0.00 -1.26 -4.90 121.76 115.65 2ju5 s ALA 19 Ca 0.64 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2ju5 s ALA 19 Cb -0.25 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2ju5 s ALA 19 CO 0.31 -2.63 0.00 -1.71 0.00 0.00 0.00 175.76 171.73 2ju5 n ASN 20 N -4.02 -8.10 -4.77 0.00 2.85 -1.26 -4.73 115.26 95.24 2ju5 n ASN 20 Ca 0.07 1.30 -0.39 0.00 -0.11 0.00 0.00 54.58 55.45 2ju5 n ASN 20 Cb 0.59 -3.66 -0.04 0.00 1.24 0.00 0.00 39.78 37.91 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2ju5 s LEU 21 N 0.00 4.40 -0.41 1.20 2.96 -1.26 -5.01 118.68 120.56 2ju5 s LEU 21 Ca 0.00 2.27 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 2ju5 s LEU 21 Cb 0.00 -3.81 0.05 0.00 0.50 0.00 0.00 46.19 42.93 2ju5 s LEU 21 CO 0.00 -0.33 0.28 -1.10 -1.32 0.00 0.00 176.35 173.88 2ju5 s GLN 22 N -1.83 2.85 0.25 1.98 -0.21 -1.26 -5.07 119.66 116.38 2ju5 s GLN 22 Ca 0.50 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 2ju5 s GLN 22 Cb -0.30 -3.90 -0.09 0.00 1.00 0.00 0.00 33.01 29.72 2ju5 s GLN 22 CO 0.39 -0.84 0.96 -1.58 -2.12 0.00 0.00 175.29 172.10 2ju5 s TRP 23 N 1.58 3.93 0.36 0.91 0.51 -1.26 -4.49 118.94 120.47 2ju5 s TRP 23 Ca 0.03 1.89 0.08 0.00 -2.12 0.00 0.00 56.10 55.98 2ju5 s TRP 23 Cb -0.21 -3.01 -0.07 0.00 -0.81 0.00 0.00 33.47 29.37 2ju5 s TRP 23 CO 0.07 0.33 -0.05 -1.21 -0.51 0.00 0.00 176.95 175.57 2ju5 s GLU 24 N -1.26 1.82 0.55 4.98 2.02 -0.14 -5.03 118.70 121.64 2ju5 s GLU 24 Ca 0.42 -1.97 -0.07 0.00 0.02 0.00 0.00 54.97 53.37 2ju5 s GLU 24 Cb -0.26 -1.57 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 2ju5 s GLU 24 CO 0.33 0.05 0.89 -1.54 0.02 0.00 0.00 175.26 175.00 2ju5 s SER 25 N -3.61 6.02 0.16 -0.19 1.04 -1.26 -4.24 113.70 111.61 2ju5 s SER 25 Ca 0.33 0.98 -0.14 0.00 0.48 0.00 0.00 55.95 57.60 2ju5 s SER 25 Cb 0.05 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 64.11 2ju5 s SER 25 CO 0.16 -0.82 1.78 0.22 0.98 0.00 0.00 173.24 175.57 2ju5 h TYR 26 N -0.05 0.70 -0.35 5.02 3.20 -1.94 0.52 116.97 124.07 2ju5 h TYR 26 Ca -0.46 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.28 2ju5 h TYR 26 Cb 1.22 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2ju5 h TYR 26 CO 0.56 0.50 -0.27 0.00 -1.64 0.00 0.00 178.16 177.31 2ju5 h ALA 27 N 1.13 0.86 -0.34 1.82 0.00 -2.00 -2.77 119.26 117.96 2ju5 h ALA 27 Ca 0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2ju5 h ALA 27 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ju5 h ALA 27 CO -0.03 0.63 -0.41 0.93 0.00 0.00 0.00 179.25 180.37 2ju5 h GLU 28 N 0.63 0.84 -0.36 0.00 4.39 -1.79 -2.75 114.58 115.55 2ju5 h GLU 28 Ca 0.08 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.33 2ju5 h GLU 28 Cb 0.78 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2ju5 h GLU 28 CO 0.06 1.09 0.23 0.00 -1.16 0.00 0.00 179.01 179.23 2ju5 h ALA 29 N 0.84 0.45 -0.68 3.43 0.00 0.18 -1.52 119.26 121.97 2ju5 h ALA 29 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2ju5 h ALA 29 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2ju5 h ALA 29 CO 0.10 -0.11 0.13 -0.07 0.00 0.00 0.00 179.25 179.29 2ju5 h LEU 30 N 0.46 1.07 -0.51 0.00 3.38 -1.51 0.30 115.31 118.50 2ju5 h LEU 30 Ca 0.13 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2ju5 h LEU 30 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2ju5 h LEU 30 CO -0.04 1.05 0.28 -0.33 0.09 0.00 0.00 178.44 179.49 2ju5 h GLU 31 N 1.05 0.54 -0.33 1.13 5.08 -1.16 0.35 114.58 121.24 2ju5 h GLU 31 Ca 0.21 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2ju5 h GLU 31 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2ju5 h GLU 31 CO 0.01 0.36 -0.12 0.45 -1.00 0.00 0.00 179.01 178.71 2ju5 h HIS 32 N 0.56 0.76 -0.22 4.33 3.86 -0.99 -3.12 115.15 120.33 2ju5 h HIS 32 Ca 0.22 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2ju5 h HIS 32 Cb 0.08 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2ju5 h HIS 32 CO -0.08 0.86 -0.18 0.77 0.86 0.00 0.00 177.93 180.15 2ju5 h SER 33 N 0.45 0.38 -0.22 2.45 0.02 -0.30 0.95 113.55 117.27 2ju5 h SER 33 Ca 0.08 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 33 Cb 0.63 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2ju5 h SER 33 CO 0.04 0.58 0.15 0.11 -1.14 0.00 0.00 176.83 176.57 2ju5 h LYS 34 N 0.35 0.11 0.03 3.45 1.57 -0.27 1.14 116.57 122.95 2ju5 h LYS 34 Ca 0.06 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.45 2ju5 h LYS 34 Cb 0.53 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 2ju5 h LYS 34 CO 0.03 0.08 -2.35 1.04 -0.57 0.00 0.00 179.45 177.68 2ju5 n GLN 35 N -4.49 0.66 0.05 3.15 6.02 -0.57 -4.55 117.38 117.65 2ju5 n GLN 35 Ca 0.02 0.20 0.11 0.00 -0.01 0.00 0.00 57.00 57.32 2ju5 n GLN 35 Cb 0.21 -1.56 0.01 0.00 1.02 0.00 0.00 30.24 29.91 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 -3.45 0.61 -0.20 1.08 8.00 0.32 -4.96 116.55 117.95 2ju5 n ASP 36 Ca -0.44 0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.06 2ju5 n ASP 36 Cb 0.98 0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.24 0.00 -2.85 1.24 8.25 0.39 -4.98 115.22 115.03 2ju5 n HIS 37 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2ju5 n HIS 37 Cb 0.49 -1.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.37 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 -1.43 4.54 0.62 -0.41 -0.14 -1.26 -4.87 119.74 116.80 2ju5 s LYS 38 Ca 0.00 1.24 -0.15 0.00 -1.36 0.00 0.00 55.97 55.70 2ju5 s LYS 38 Cb 0.00 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.24 2ju5 s LYS 38 CO 0.00 0.34 1.08 -1.25 -0.76 0.00 0.00 175.35 174.76 2ju5 s PRO 39 N -1.90 3.10 -0.11 -1.68 0.04 -1.26 -4.53 135.00 128.67 2ju5 s PRO 39 Ca 0.47 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 2ju5 s PRO 39 Cb -0.19 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2ju5 s PRO 39 CO 0.24 -0.99 -0.08 0.42 0.04 0.00 0.00 177.00 176.63 2ju5 s ILE 40 N -2.42 3.59 -0.29 0.56 1.01 0.44 -2.31 121.20 121.78 2ju5 s ILE 40 Ca 0.65 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2ju5 s ILE 40 Cb -0.18 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 2ju5 s ILE 40 CO 0.39 0.55 0.09 -0.83 0.00 0.00 0.00 174.94 175.13 2ju5 s GLY 41 N -0.15 1.79 -0.25 6.18 0.00 -0.14 -0.85 107.32 113.90 2ju5 s GLY 41 Ca 0.01 -1.36 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 2ju5 s GLY 41 CO 0.03 0.62 0.32 1.08 0.00 0.00 0.00 173.10 175.16 2ju5 s LEU 42 N 1.55 4.07 -0.53 0.66 1.02 -0.92 -1.40 118.68 123.13 2ju5 s LEU 42 Ca 0.04 0.27 -0.20 0.00 0.02 0.00 0.00 54.13 54.26 2ju5 s LEU 42 Cb -0.17 -2.36 0.06 0.00 0.02 0.00 0.00 46.19 43.75 2ju5 s LEU 42 CO 0.03 -0.11 0.69 0.12 0.02 0.00 0.00 176.35 177.11 2ju5 s PHE 43 N 1.71 2.99 -0.25 0.29 5.36 -0.32 -3.11 117.98 124.66 2ju5 s PHE 43 Ca 0.14 -0.50 -0.16 0.00 -0.96 0.00 0.00 56.93 55.44 2ju5 s PHE 43 Cb -0.15 -3.70 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 2ju5 s PHE 43 CO 0.09 -1.13 0.41 -0.06 -1.46 0.00 0.00 175.22 173.06 2ju5 s PHE 44 N 2.89 3.29 0.18 10.12 0.08 -0.92 -1.10 117.98 132.52 2ju5 s PHE 44 Ca 0.17 0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.69 2ju5 s PHE 44 Cb -0.19 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 2ju5 s PHE 44 CO 0.12 -0.18 0.33 0.25 -0.10 0.00 0.00 175.22 175.64 2ju5 n THR 45 N 4.90 0.00 -3.66 0.64 -2.24 -0.91 -2.66 114.28 110.35 2ju5 n THR 45 Ca -0.08 -0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 60.85 2ju5 n THR 45 Cb 0.51 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.97 1.54 0.37 3.38 0.00 -1.26 -0.19 107.32 109.19 2ju5 s GLY 46 Ca 0.09 -2.49 0.11 0.00 0.00 0.00 0.00 44.72 42.43 2ju5 s GLY 46 CO 0.07 1.65 1.86 1.76 0.00 0.00 0.00 173.10 178.43 2ju5 h SER 47 N 6.71 0.60 -0.02 1.64 0.02 -1.88 -1.34 113.55 119.29 2ju5 h SER 47 Ca 0.02 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.93 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2ju5 h SER 47 CO 0.45 0.28 -0.31 0.47 -1.14 0.00 0.00 176.83 176.57 2ju5 n ASP 48 N -4.56 1.99 0.00 3.07 8.00 -1.26 -4.72 116.55 119.06 2ju5 n ASP 48 Ca 0.18 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.19 2ju5 n ASP 48 Cb 0.53 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 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 0.18 0.00 -3.28 1.24 4.27 -1.13 -4.84 117.44 113.88 2ju5 n TRP 49 Ca 0.09 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.29 2ju5 n TRP 49 Cb 0.42 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 h MET 51 N 8.38 0.62 -0.06 0.00 4.05 -1.96 -2.96 114.93 123.00 2ju5 h MET 51 Ca -0.29 -0.82 -0.01 0.00 -0.28 0.00 0.00 59.70 58.30 2ju5 h MET 51 Cb 1.13 0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2ju5 h MET 51 CO 0.74 1.37 -0.03 -1.49 0.23 0.00 0.00 176.91 177.73 2ju5 h TRP 52 N 0.25 0.08 -0.37 1.39 6.55 -1.92 -0.41 115.95 121.52 2ju5 h TRP 52 Ca -0.18 -0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.51 2ju5 h TRP 52 Cb 1.88 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 30.15 2ju5 h TRP 52 CO 0.12 0.12 -0.34 0.00 -1.05 0.00 0.00 178.44 177.29 2ju5 h ILE 54 N 0.70 1.17 -0.41 0.00 2.04 -1.00 0.19 117.51 120.21 2ju5 h ILE 54 Ca 0.06 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2ju5 h ILE 54 Cb 0.93 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2ju5 h ILE 54 CO 0.09 0.18 0.19 0.11 0.00 0.00 0.00 178.15 178.71 2ju5 h LYS 55 N 0.74 0.59 -0.44 2.37 1.79 -0.85 1.98 116.57 122.75 2ju5 h LYS 55 Ca 0.20 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 2ju5 h LYS 55 Cb -0.00 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2ju5 h LYS 55 CO -0.04 0.53 0.22 1.98 -1.08 0.00 0.00 179.45 181.06 2ju5 h MET 56 N 0.51 0.64 -0.08 3.15 4.05 -0.68 0.68 114.93 123.20 2ju5 h MET 56 Ca 0.14 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2ju5 h MET 56 Cb 0.14 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 2ju5 h MET 56 CO -0.02 0.54 -0.01 0.37 0.23 0.00 0.00 176.91 178.03 2ju5 h GLN 57 N 0.57 0.15 -0.17 0.39 4.15 -0.26 0.27 115.11 120.22 2ju5 h GLN 57 Ca 0.15 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.36 2ju5 h GLN 57 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2ju5 h GLN 57 CO -0.02 0.44 -0.55 0.22 -1.93 0.00 0.00 178.83 177.00 2ju5 h ASP 58 N -0.15 0.55 0.59 -0.69 1.82 0.33 -1.15 116.42 117.72 2ju5 h ASP 58 Ca 0.02 -0.29 -0.19 0.00 -0.39 0.00 0.00 57.03 56.18 2ju5 h ASP 58 Cb 0.38 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 2ju5 h ASP 58 CO 0.01 0.99 -1.56 0.00 -1.61 0.00 0.00 179.24 177.07 2ju5 n GLN 59 N -3.95 0.63 -0.01 0.28 1.13 0.24 -4.41 117.38 111.29 2ju5 n GLN 59 Ca -0.03 0.20 -0.05 0.00 -1.94 0.00 0.00 57.00 55.18 2ju5 n GLN 59 Cb 0.60 -1.77 -0.02 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.87 0.76 -0.34 5.09 5.41 0.92 -3.84 119.36 124.49 2ju5 n ILE 60 Ca -0.12 0.10 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 2ju5 n ILE 60 Cb 0.88 -1.66 0.09 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 -0.23 1.12 -0.83 1.39 -0.00 -1.31 -2.31 115.31 113.16 2ju5 h LEU 61 Ca -0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2ju5 h LEU 61 Cb 0.74 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2ju5 h LEU 61 CO -0.06 0.89 0.00 0.00 -0.00 0.00 0.00 178.44 179.28 2ju5 n GLN 62 N -4.34 1.56 -2.64 1.13 1.13 -0.45 -4.43 117.38 109.34 2ju5 n GLN 62 Ca 0.10 -0.82 -0.33 0.00 -1.94 0.00 0.00 57.00 54.00 2ju5 n GLN 62 Cb 0.09 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ju5 s SER 63 N -1.92 6.67 0.19 1.08 0.01 -0.87 -4.94 113.70 113.92 2ju5 s SER 63 Ca 0.38 1.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.27 2ju5 s SER 63 Cb 0.20 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 64.03 2ju5 s SER 63 CO 0.33 -0.55 1.84 0.28 0.41 0.00 0.00 173.24 175.54 2ju5 h SER 64 N 1.59 0.65 -0.70 2.44 0.02 -1.91 -2.16 113.55 113.50 2ju5 h SER 64 Ca -0.49 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 2ju5 h SER 64 Cb 1.19 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2ju5 h SER 64 CO 0.60 0.46 0.25 -0.33 -1.14 0.00 0.00 176.83 176.67 2ju5 h GLU 65 N 0.78 1.07 -0.60 3.45 4.39 -1.91 -1.72 114.58 120.04 2ju5 h GLU 65 Ca 0.24 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2ju5 h GLU 65 Cb -0.02 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 2ju5 h GLU 65 CO -0.08 0.90 0.21 0.35 -1.16 0.00 0.00 179.01 179.23 2ju5 h PHE 66 N 1.01 0.95 -0.35 4.33 3.04 -1.73 -0.81 116.94 123.38 2ju5 h PHE 66 Ca 0.23 -0.09 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 2ju5 h PHE 66 Cb 0.26 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 2ju5 h PHE 66 CO 0.02 0.78 0.21 0.87 -2.02 0.00 0.00 178.31 178.17 2ju5 h LYS 67 N 0.85 0.47 -0.18 1.11 1.57 -1.09 0.27 116.57 119.57 2ju5 h LYS 67 Ca 0.20 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2ju5 h LYS 67 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2ju5 h LYS 67 CO -0.01 0.35 -0.00 1.25 -0.57 0.00 0.00 179.45 180.47 2ju5 h HIS 68 N 0.45 0.35 0.01 -1.35 2.76 -1.17 0.14 115.15 116.34 2ju5 h HIS 68 Ca 0.12 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2ju5 h HIS 68 Cb 0.01 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2ju5 h HIS 68 CO -0.04 0.53 -0.00 0.35 -1.30 0.00 0.00 177.93 177.47 2ju5 h PHE 69 N 0.07 -0.01 -0.33 5.26 3.57 -1.02 -2.36 116.94 122.12 2ju5 h PHE 69 Ca 0.05 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2ju5 h PHE 69 Cb 0.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2ju5 h PHE 69 CO 0.04 0.08 -0.21 0.00 -2.23 0.00 0.00 178.31 175.99 2ju5 h ALA 70 N 0.90 1.02 -0.47 2.41 0.00 -0.45 0.21 119.26 122.88 2ju5 h ALA 70 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2ju5 h ALA 70 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ju5 h ALA 70 CO 0.00 0.59 -0.02 0.78 0.00 0.00 0.00 179.25 180.59 2ju5 h GLY 71 N 0.99 0.85 0.50 0.00 0.00 -0.62 0.59 103.07 105.37 2ju5 h GLY 71 Ca 0.08 -0.58 -0.24 0.00 0.00 0.00 0.00 47.33 46.60 2ju5 h GLY 71 CO 0.05 0.54 -1.20 -2.08 0.00 0.00 0.00 176.54 173.84 2ju5 h VAL 72 N 0.73 1.16 -0.01 4.60 2.07 -1.25 -3.42 116.25 120.13 2ju5 h VAL 72 Ca 0.14 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2ju5 h VAL 72 Cb 0.48 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2ju5 h VAL 72 CO 0.02 0.67 -0.31 1.41 0.02 0.00 0.00 177.57 179.38 2ju5 n HIS 73 N -4.04 0.00 -4.19 1.57 -0.00 0.72 -5.07 115.22 104.20 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 0.84 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.73 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 -1.93 1.61 -0.19 2.41 1.02 0.20 -4.42 118.68 117.37 2ju5 s LEU 74 Ca 0.10 -1.28 -0.02 0.00 0.02 0.00 0.00 54.13 52.96 2ju5 s LEU 74 Cb 0.11 0.26 -0.00 0.00 0.02 0.00 0.00 46.19 46.57 2ju5 s LEU 74 CO 0.36 -0.75 -0.10 -1.00 0.02 0.00 0.00 176.35 174.88 2ju5 s HIS 75 N -4.01 2.88 -0.13 0.29 3.76 -0.98 -4.56 115.29 112.54 2ju5 s HIS 75 Ca 0.30 -0.99 -0.06 0.00 -0.15 0.00 0.00 55.06 54.16 2ju5 s HIS 75 Cb 0.07 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2ju5 s HIS 75 CO 0.06 -0.50 0.09 1.41 -0.85 0.00 0.00 174.74 174.95 2ju5 s MET 76 N 1.12 3.48 -0.07 1.40 1.75 -1.26 -0.96 119.30 124.76 2ju5 s MET 76 Ca 0.01 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.23 2ju5 s MET 76 Cb -0.14 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.42 2ju5 s MET 76 CO -0.03 0.63 -0.15 0.08 -0.65 0.00 0.00 175.02 174.90 2ju5 s VAL 77 N -0.63 1.36 -0.22 10.11 1.01 -0.50 -0.97 120.40 130.56 2ju5 s VAL 77 Ca 0.12 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 2ju5 s VAL 77 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2ju5 s VAL 77 CO 0.02 0.40 0.32 -0.70 0.00 0.00 0.00 175.10 175.15 2ju5 s GLU 78 N 0.55 4.12 -0.37 2.72 2.12 -1.26 -1.17 118.70 125.41 2ju5 s GLU 78 Ca -0.15 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2ju5 s GLU 78 Cb -0.16 -3.55 0.12 0.00 0.26 0.00 0.00 34.13 30.79 2ju5 s GLU 78 CO 0.05 -0.04 0.15 0.08 -0.54 0.00 0.00 175.26 174.96 2ju5 s VAL 79 N 1.34 1.34 -0.03 3.70 1.01 -0.26 -4.92 120.40 122.57 2ju5 s VAL 79 Ca 0.15 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 60.07 2ju5 s VAL 79 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2ju5 s VAL 79 CO 0.07 -0.76 -0.01 -1.81 0.00 0.00 0.00 175.10 172.59 2ju5 s ASP 80 N 0.93 5.09 -0.56 3.32 1.01 -1.26 -2.14 116.67 123.07 2ju5 s ASP 80 Ca 0.13 0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.47 2ju5 s ASP 80 Cb -0.21 -1.35 0.19 0.00 1.01 0.00 0.00 42.92 42.56 2ju5 s ASP 80 CO -0.11 0.31 0.48 2.22 0.21 0.00 0.00 175.17 178.28 2ju5 n PHE 81 N 1.65 1.49 -1.88 4.23 -1.74 0.73 -4.96 117.46 116.99 2ju5 n PHE 81 Ca -0.16 -3.87 -0.29 0.00 -0.56 0.00 0.00 57.45 52.57 2ju5 n PHE 81 Cb 0.53 -0.28 0.09 0.00 1.52 0.00 0.00 39.48 41.34 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2ju5 s PRO 82 N -1.06 1.89 0.08 3.97 0.04 -1.26 -4.37 135.00 134.30 2ju5 s PRO 82 Ca 0.31 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.33 2ju5 s PRO 82 Cb 0.03 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2ju5 s PRO 82 CO -0.15 -1.65 1.22 -0.56 0.04 0.00 0.00 177.00 175.90 2ju5 h GLN 83 N -1.10 0.74 -4.06 4.56 3.07 -1.94 -3.38 115.11 113.00 2ju5 h GLN 83 Ca -0.46 -0.74 -0.76 0.00 0.09 0.00 0.00 58.65 56.78 2ju5 h GLN 83 Cb 1.33 0.20 -0.24 0.00 0.08 0.00 0.00 27.48 28.84 2ju5 h GLN 83 CO 0.65 1.31 -0.15 0.21 0.09 0.00 0.00 178.83 180.95 2ju5 s LYS 84 N -3.44 3.10 -0.16 0.06 2.20 -1.26 -5.03 119.74 115.21 2ju5 s LYS 84 Ca -0.10 -1.83 -0.24 0.00 -0.36 0.00 0.00 55.97 53.44 2ju5 s LYS 84 Cb 0.07 -4.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 2ju5 s LYS 84 CO 0.92 -1.33 0.78 -0.80 -0.36 0.00 0.00 175.35 174.56 2ju5 s ASN 85 N 3.35 6.91 -0.01 1.43 0.02 -1.26 -4.90 114.94 120.47 2ju5 s ASN 85 Ca 0.06 1.11 0.01 0.00 -1.02 0.00 0.00 52.86 53.02 2ju5 s ASN 85 Cb -0.26 -2.43 0.02 0.00 0.02 0.00 0.00 41.25 38.60 2ju5 s ASN 85 CO 0.01 -0.34 0.75 1.41 0.02 0.00 0.00 177.10 178.95 2ju5 n HIS 86 N 5.03 0.00 -2.58 2.20 8.25 -1.26 -5.08 115.22 121.79 2ju5 n HIS 86 Ca 0.03 -0.23 -0.32 0.00 -0.26 0.00 0.00 57.72 56.93 2ju5 n HIS 86 Cb 0.49 -0.03 -0.05 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 -0.52 4.02 0.64 -0.41 1.11 -1.26 -5.04 119.66 118.21 2ju5 s GLN 87 Ca 0.02 0.96 -0.16 0.00 0.01 0.00 0.00 55.36 56.19 2ju5 s GLN 87 Cb 0.02 -2.17 -0.01 0.00 -1.01 0.00 0.00 33.01 29.83 2ju5 s GLN 87 CO 0.00 -0.17 1.14 -1.25 0.01 0.00 0.00 175.29 175.02 2ju5 s PRO 88 N -3.75 2.86 0.22 2.91 0.04 -1.26 -4.76 135.00 131.26 2ju5 s PRO 88 Ca 0.59 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 2ju5 s PRO 88 Cb -0.10 -1.95 0.33 0.00 0.04 0.00 0.00 34.50 32.82 2ju5 s PRO 88 CO 0.25 -1.23 1.66 0.93 0.04 0.00 0.00 177.00 178.65 2ju5 h GLU 89 N 0.34 0.12 -0.96 4.56 5.08 -1.99 -0.69 114.58 121.04 2ju5 h GLU 89 Ca -0.48 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2ju5 h GLU 89 Cb 1.26 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2ju5 h GLU 89 CO 0.54 0.08 0.61 0.93 -1.00 0.00 0.00 179.01 180.17 2ju5 h GLU 90 N 0.12 1.08 -0.33 2.33 5.08 -1.99 0.60 114.58 121.47 2ju5 h GLU 90 Ca 0.34 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.46 2ju5 h GLU 90 Cb 0.56 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ju5 h GLU 90 CO -0.55 0.71 -0.47 0.37 -1.00 0.00 0.00 179.01 178.07 2ju5 h GLN 91 N 1.11 0.91 -0.48 2.33 4.15 -1.56 -1.78 115.11 119.79 2ju5 h GLN 91 Ca 0.42 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2ju5 h GLN 91 Cb 0.17 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2ju5 h GLN 91 CO -0.17 1.18 0.08 0.00 -1.93 0.00 0.00 178.83 177.99 2ju5 h ARG 92 N 0.71 0.79 -0.34 1.69 3.08 -0.57 0.26 114.38 120.01 2ju5 h ARG 92 Ca 0.04 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2ju5 h ARG 92 Cb 1.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2ju5 h ARG 92 CO 0.11 0.79 0.15 1.96 -1.07 0.00 0.00 179.97 181.92 2ju5 h GLN 93 N 0.66 0.49 -0.46 0.04 1.08 -0.86 -0.99 115.11 115.08 2ju5 h GLN 93 Ca 0.15 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2ju5 h GLN 93 Cb 0.38 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2ju5 h GLN 93 CO 0.01 0.47 0.28 -0.22 -0.95 0.00 0.00 178.83 178.41 2ju5 h LYS 94 N 0.41 0.63 -0.79 1.46 3.64 -1.16 -0.76 116.57 119.99 2ju5 h LYS 94 Ca 0.11 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2ju5 h LYS 94 Cb 0.14 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2ju5 h LYS 94 CO -0.01 0.46 0.52 -0.91 -2.27 0.00 0.00 179.45 177.24 2ju5 h ASN 95 N 0.61 0.89 -0.58 4.20 -0.26 -0.68 0.11 115.58 119.88 2ju5 h ASN 95 Ca 0.17 -0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.78 2ju5 h ASN 95 Cb -0.00 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 2ju5 h ASN 95 CO -0.03 0.64 -0.03 1.56 -1.06 0.00 0.00 177.43 178.51 2ju5 h GLN 96 N 1.05 1.05 -0.58 0.81 4.20 -0.83 -0.28 115.11 120.53 2ju5 h GLN 96 Ca 0.29 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2ju5 h GLN 96 Cb -0.10 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2ju5 h GLN 96 CO -0.07 1.05 0.09 0.93 -0.67 0.00 0.00 178.83 180.16 2ju5 h GLU 97 N 0.94 0.96 -0.64 1.46 5.08 -0.58 -1.85 114.58 119.94 2ju5 h GLU 97 Ca 0.16 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2ju5 h GLU 97 Cb 0.59 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2ju5 h GLU 97 CO 0.04 0.91 0.15 1.25 -1.00 0.00 0.00 179.01 180.36 2ju5 h LEU 98 N 0.85 0.98 -1.00 1.33 5.85 -0.61 0.60 115.31 123.31 2ju5 h LEU 98 Ca 0.17 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2ju5 h LEU 98 Cb 0.42 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2ju5 h LEU 98 CO 0.01 0.96 0.37 0.50 -0.34 0.00 0.00 178.44 179.95 2ju5 h LYS 99 N 0.96 1.08 0.09 1.25 3.64 -0.81 -1.63 116.57 121.15 2ju5 h LYS 99 Ca 0.20 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 2ju5 h LYS 99 Cb 0.37 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2ju5 h LYS 99 CO 0.00 0.83 -1.16 0.00 -2.27 0.00 0.00 179.45 176.85 2ju5 h ALA 100 N 1.33 0.11 -0.20 5.00 0.00 -0.96 0.38 119.26 124.92 2ju5 h ALA 100 Ca 0.26 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2ju5 h ALA 100 Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2ju5 h ALA 100 CO -0.04 0.77 0.06 0.37 0.00 0.00 0.00 179.25 180.42 2ju5 h GLN 101 N 0.23 0.14 -0.53 0.00 4.15 0.67 -1.91 115.11 117.86 2ju5 h GLN 101 Ca -0.15 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2ju5 h GLN 101 Cb 1.83 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.49 2ju5 h GLN 101 CO 0.21 0.10 0.00 0.66 -1.93 0.00 0.00 178.83 177.87 2ju5 n TYR 102 N -5.06 0.77 -3.69 3.99 4.01 -0.66 -4.91 117.16 111.62 2ju5 n TYR 102 Ca -0.03 -0.33 -0.22 0.00 -0.16 0.00 0.00 57.90 57.16 2ju5 n TYR 102 Cb 0.08 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.65 -4.35 -3.13 -0.72 5.02 -0.72 -4.93 118.16 109.99 2ju5 n LYS 103 Ca 0.15 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 2ju5 n LYS 103 Cb 0.50 -5.08 -0.06 0.00 -0.02 0.00 0.00 35.03 30.36 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 -3.65 5.03 -0.02 -0.18 1.01 0.13 -4.90 120.40 117.82 2ju5 s VAL 104 Ca 0.07 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 2ju5 s VAL 104 Cb -0.02 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2ju5 s VAL 104 CO 0.82 0.11 -0.02 0.35 0.00 0.00 0.00 175.10 176.35 2ju5 n THR 105 N 4.75 0.09 -3.83 3.92 -2.24 -1.26 -4.73 114.28 110.98 2ju5 n THR 105 Ca -0.02 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 2ju5 n THR 105 Cb 0.50 -1.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 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 -5.00 2.21 0.10 3.38 0.00 -1.26 -5.11 107.32 101.64 2ju5 s GLY 106 Ca -0.02 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.10 2ju5 s GLY 106 CO 0.03 -0.57 -0.22 -0.11 0.00 0.00 0.00 173.10 172.23 2ju5 s PHE 107 N -1.39 1.88 0.38 1.90 -0.12 -1.26 -4.00 117.98 115.36 2ju5 s PHE 107 Ca 0.31 -0.41 -0.24 0.00 -0.05 0.00 0.00 56.93 56.54 2ju5 s PHE 107 Cb -0.13 -1.03 -0.10 0.00 -0.63 0.00 0.00 43.02 41.13 2ju5 s PHE 107 CO 0.20 0.22 0.97 -1.25 -0.05 0.00 0.00 175.22 175.32 2ju5 s PRO 108 N -1.90 4.36 -0.05 1.99 0.04 -1.26 -4.75 135.00 133.43 2ju5 s PRO 108 Ca 0.08 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 2ju5 s PRO 108 Cb -0.10 -2.54 0.03 0.00 0.04 0.00 0.00 34.50 31.93 2ju5 s PRO 108 CO 0.04 0.07 0.00 -2.00 0.04 0.00 0.00 177.00 175.16 2ju5 s GLU 109 N -2.51 0.41 -0.21 4.56 2.12 -1.09 -3.77 118.70 118.21 2ju5 s GLU 109 Ca 0.56 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.97 2ju5 s GLU 109 Cb -0.17 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 2ju5 s GLU 109 CO 0.21 -0.22 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.49 2ju5 s LEU 110 N 1.52 2.85 -0.12 2.70 0.20 0.24 -2.16 118.68 123.90 2ju5 s LEU 110 Ca -0.03 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.41 2ju5 s LEU 110 Cb -0.13 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2ju5 s LEU 110 CO -0.03 -0.01 -0.16 0.68 -0.29 0.00 0.00 176.35 176.54 2ju5 s VAL 111 N 1.39 2.77 -0.23 1.68 -7.23 -1.18 -0.08 120.40 117.52 2ju5 s VAL 111 Ca 0.05 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.34 2ju5 s VAL 111 Cb -0.14 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2ju5 s VAL 111 CO -0.03 0.53 0.19 -0.36 -0.31 0.00 0.00 175.10 175.12 2ju5 s PHE 112 N 0.34 3.34 0.12 2.82 0.08 0.69 -2.16 117.98 123.21 2ju5 s PHE 112 Ca -0.13 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.27 2ju5 s PHE 112 Cb -0.16 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2ju5 s PHE 112 CO 0.07 0.10 -0.12 0.96 -0.10 0.00 0.00 175.22 176.12 2ju5 s ILE 113 N 0.96 1.16 0.54 0.64 -4.36 -0.03 -0.03 121.20 120.08 2ju5 s ILE 113 Ca 0.09 -1.73 -0.01 0.00 -0.26 0.00 0.00 60.65 58.73 2ju5 s ILE 113 Cb -0.13 -1.51 0.11 0.00 1.25 0.00 0.00 42.46 42.18 2ju5 s ILE 113 CO 0.04 -0.52 0.74 -0.90 0.24 0.00 0.00 174.94 174.54 2ju5 n ASP 114 N 0.44 0.87 0.08 4.36 5.75 -0.20 0.17 116.55 128.02 2ju5 n ASP 114 Ca -0.15 -1.76 0.10 0.00 -0.01 0.00 0.00 54.79 52.96 2ju5 n ASP 114 Cb 0.58 -0.49 0.41 0.00 -1.03 0.00 0.00 41.12 40.59 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 -3.01 1.58 0.96 2.12 0.00 -1.26 -1.59 120.51 119.31 2ju5 n ALA 115 Ca -0.12 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2ju5 n ALA 115 Cb 0.42 -1.31 0.19 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.96 2.24 -0.77 0.00 1.02 -1.26 -4.79 120.64 115.14 2ju5 n GLU 116 Ca 0.02 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 2ju5 n GLU 116 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.35 0.57 3.74 0.62 0.00 -0.62 -5.03 105.19 105.81 2ju5 n GLY 117 Ca 0.16 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.89 4.45 -0.08 1.61 1.02 -1.26 -4.77 119.74 119.82 2ju5 s LYS 118 Ca 0.00 0.97 -0.30 0.00 0.02 0.00 0.00 55.97 56.66 2ju5 s LYS 118 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2ju5 s LYS 118 CO 0.00 0.22 1.14 -1.14 -0.92 0.00 0.00 175.35 174.66 2ju5 s GLN 119 N 0.21 4.37 -0.12 1.68 0.74 -1.26 -1.03 119.66 124.24 2ju5 s GLN 119 Ca 0.37 1.59 0.16 0.00 0.05 0.00 0.00 55.36 57.53 2ju5 s GLN 119 Cb -0.19 -3.56 -0.24 0.00 1.10 0.00 0.00 33.01 30.12 2ju5 s GLN 119 CO 0.21 -0.42 0.34 1.28 -0.55 0.00 0.00 175.29 176.15 2ju5 n LEU 120 N 5.19 0.36 -3.60 3.68 4.32 0.96 -4.97 117.00 122.93 2ju5 n LEU 120 Ca 0.10 0.17 0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2ju5 n LEU 120 Cb 0.47 0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 42.60 2ju5 n LEU 120 CO 0.54 0.42 1.10 0.00 -1.22 0.00 0.00 177.39 178.23 2ju5 s ALA 121 N -2.60 -2.27 -0.09 -1.18 0.00 -1.21 -4.61 121.76 109.80 2ju5 s ALA 121 Ca -0.08 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2ju5 s ALA 121 Cb 0.07 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2ju5 s ALA 121 CO 0.83 -0.93 0.29 -0.98 0.00 0.00 0.00 175.76 174.98 2ju5 s ARG 122 N -2.29 0.41 0.05 0.00 1.70 -1.26 -0.22 118.95 117.33 2ju5 s ARG 122 Ca 0.13 0.28 -0.05 0.00 -0.47 0.00 0.00 55.73 55.63 2ju5 s ARG 122 Cb 0.04 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2ju5 s ARG 122 CO -0.05 -0.07 0.07 -1.64 -1.08 0.00 0.00 175.30 172.54 2ju5 s MET 123 N -0.15 0.65 0.00 3.89 -1.94 0.88 -5.00 119.30 117.63 2ju5 s MET 123 Ca -0.03 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 2ju5 s MET 123 Cb -0.03 0.25 0.00 0.00 2.01 0.00 0.00 34.83 37.06 2ju5 s MET 123 CO 0.01 -0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.27 2ju5 n GLY 124 N 0.39 5.04 3.71 -0.03 0.00 -1.26 0.80 105.19 113.83 2ju5 n GLY 124 Ca -0.17 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 2.95 3.60 -0.06 1.61 5.36 -1.25 -4.86 117.98 125.33 2ju5 s PHE 125 Ca 0.00 1.50 -0.06 0.00 -0.96 0.00 0.00 56.93 57.41 2ju5 s PHE 125 Cb 0.00 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 2ju5 s PHE 125 CO 0.00 -0.02 0.16 -1.21 -1.46 0.00 0.00 175.22 172.69 2ju5 s GLU 126 N 1.15 0.19 0.66 10.12 2.02 -1.26 -5.10 118.70 126.48 2ju5 s GLU 126 Ca 0.46 0.23 -0.13 0.00 0.02 0.00 0.00 54.97 55.55 2ju5 s GLU 126 Cb -0.19 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 2ju5 s GLU 126 CO 0.22 -0.03 1.06 -1.25 0.02 0.00 0.00 175.26 175.29 2ju5 s PRO 127 N 0.11 3.09 0.00 0.39 0.04 -1.26 -4.48 135.00 132.88 2ju5 s PRO 127 Ca -0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2ju5 s PRO 127 Cb -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ju5 s PRO 127 CO 0.00 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2ju5 n GLY 128 N -1.61 1.51 0.00 0.56 0.00 -1.26 -4.95 105.19 99.44 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 0.03 0.25 -0.02 0.00 -1.26 -4.36 105.19 99.83 2ju5 n GLY 129 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 0.90 0.97 -0.02 0.00 -1.89 -2.40 103.07 100.64 2ju5 h GLY 130 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.74 2ju5 h GLY 130 CO 0.00 0.56 0.15 0.00 0.00 0.00 0.00 176.54 177.25 2ju5 h ALA 131 N 0.97 0.30 -0.57 3.60 0.00 -1.93 -2.11 119.26 119.52 2ju5 h ALA 131 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2ju5 h ALA 131 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2ju5 h ALA 131 CO 0.01 -0.24 0.12 0.00 0.00 0.00 0.00 179.25 179.14 2ju5 h ALA 132 N 1.10 1.12 -0.47 0.00 0.00 -1.75 -2.80 119.26 116.46 2ju5 h ALA 132 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2ju5 h ALA 132 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2ju5 h ALA 132 CO -0.03 0.58 0.18 -0.92 0.00 0.00 0.00 179.25 179.06 2ju5 h TYR 133 N 0.86 0.73 -0.31 0.00 5.03 -1.06 -2.80 116.97 119.42 2ju5 h TYR 133 Ca 0.18 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.36 2ju5 h TYR 133 Cb 0.35 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 2ju5 h TYR 133 CO 0.02 0.63 -0.14 -0.39 -1.32 0.00 0.00 178.16 176.96 2ju5 h VAL 134 N 0.63 1.24 -0.74 1.81 -1.51 -1.29 -2.38 116.25 114.01 2ju5 h VAL 134 Ca 0.16 -1.07 0.02 0.00 -1.23 0.00 0.00 66.70 64.58 2ju5 h VAL 134 Cb 0.21 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 2ju5 h VAL 134 CO -0.01 0.35 0.48 -1.28 -1.23 0.00 0.00 177.57 175.88 2ju5 h SER 135 N 0.49 0.81 -0.61 4.19 0.87 -1.25 -2.30 113.55 115.75 2ju5 h SER 135 Ca 0.09 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2ju5 h SER 135 Cb 0.52 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2ju5 h SER 135 CO 0.03 0.57 0.14 0.11 -0.53 0.00 0.00 176.83 177.15 2ju5 h LYS 136 N 0.96 0.98 -0.55 2.24 1.57 -1.24 -2.86 116.57 117.67 2ju5 h LYS 136 Ca 0.28 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2ju5 h LYS 136 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2ju5 h LYS 136 CO -0.08 0.90 0.06 -0.24 -0.57 0.00 0.00 179.45 179.51 2ju5 h VAL 137 N 0.89 1.25 -0.53 0.50 3.04 -1.17 -2.28 116.25 117.95 2ju5 h VAL 137 Ca 0.19 -0.98 0.02 0.00 -1.01 0.00 0.00 66.70 64.91 2ju5 h VAL 137 Cb 0.37 0.76 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 2ju5 h VAL 137 CO 0.00 0.36 0.33 0.11 -1.01 0.00 0.00 177.57 177.36 2ju5 h LYS 138 N 0.85 0.64 -0.32 4.17 1.57 -1.22 0.65 116.57 122.89 2ju5 h LYS 138 Ca 0.17 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2ju5 h LYS 138 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2ju5 h LYS 138 CO 0.01 0.42 -0.24 0.66 -0.57 0.00 0.00 179.45 179.73 2ju5 h SER 139 N 0.65 0.65 -0.46 0.86 4.64 -1.32 -0.89 113.55 117.69 2ju5 h SER 139 Ca 0.21 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 2ju5 h SER 139 Cb -0.01 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2ju5 h SER 139 CO -0.08 0.87 -0.22 0.00 -0.87 0.00 0.00 176.83 176.54 2ju5 h ALA 140 N 1.18 0.64 -0.01 5.18 0.00 -0.82 -3.09 119.26 122.34 2ju5 h ALA 140 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ju5 h ALA 140 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ju5 h ALA 140 CO 0.05 0.63 -0.11 1.28 0.00 0.00 0.00 179.25 181.10 2ju5 n LEU 141 N -4.15 1.24 -3.11 0.00 4.32 0.16 -4.67 117.00 110.80 2ju5 n LEU 141 Ca -0.01 -0.37 -0.16 0.00 -0.02 0.00 0.00 56.01 55.45 2ju5 n LEU 141 Cb 0.46 -0.06 0.08 0.00 -1.62 0.00 0.00 43.42 42.27 2ju5 n LEU 141 CO 0.46 0.22 0.12 0.29 -1.22 0.00 0.00 177.39 177.26 2ju5 n LYS 142 N -0.23 -5.99 -3.35 3.23 4.76 -0.45 -4.99 118.16 111.14 2ju5 n LYS 142 Ca 0.16 0.73 -0.39 0.00 -2.87 0.00 0.00 58.31 55.94 2ju5 n LYS 142 Cb 0.35 -5.40 -0.08 0.00 -1.84 0.00 0.00 35.03 28.06 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 -5.91 4.11 0.00 -0.35 1.02 -0.57 -5.05 118.68 111.92 2ju5 s LEU 143 Ca 0.12 0.47 0.10 0.00 0.02 0.00 0.00 54.13 54.84 2ju5 s LEU 143 Cb -0.05 -2.53 0.60 0.00 0.02 0.00 0.00 46.19 44.23 2ju5 s LEU 143 CO 0.63 -0.15 1.05 0.54 0.02 0.00 0.00 176.35 178.44