#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 1.19 0.17 0.00 0.52 -1.26 -5.04 118.95 114.53 2ju5 s ARG 2 Ca 0.00 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 53.86 2ju5 s ARG 2 Cb 0.00 -1.50 0.07 0.00 0.52 0.00 0.00 34.95 34.05 2ju5 s ARG 2 CO 0.00 0.35 1.76 -0.09 0.02 0.00 0.00 175.30 177.34 2ju5 h ARG 3 N 3.97 0.83 -6.23 3.54 2.43 -2.08 -3.42 114.38 113.42 2ju5 h ARG 3 Ca -0.47 -0.12 -0.57 0.00 -0.81 0.00 0.00 59.98 58.01 2ju5 h ARG 3 Cb 1.18 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2ju5 h ARG 3 CO 0.40 0.67 -0.02 1.03 -1.51 0.00 0.00 179.97 180.54 2ju5 s ARG 4 N -5.73 4.24 0.42 0.20 0.52 -1.26 -5.03 118.95 112.31 2ju5 s ARG 4 Ca -0.13 0.76 -0.26 0.00 -0.52 0.00 0.00 55.73 55.58 2ju5 s ARG 4 Cb 0.13 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 2ju5 s ARG 4 CO 0.78 0.59 1.43 0.00 0.02 0.00 0.00 175.30 178.12 2ju5 s ALA 5 N -0.97 3.35 0.24 2.13 0.00 -1.26 -4.90 121.76 120.35 2ju5 s ALA 5 Ca 0.30 1.47 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 2ju5 s ALA 5 Cb -0.20 -3.58 0.24 0.00 0.00 0.00 0.00 23.12 19.58 2ju5 s ALA 5 CO 0.19 -1.10 1.87 0.66 0.00 0.00 0.00 175.76 177.38 2ju5 h SER 6 N 2.58 1.10 -3.64 0.00 4.64 -1.96 -3.42 113.55 112.86 2ju5 h SER 6 Ca -0.51 -0.09 -0.51 0.00 -0.47 0.00 0.00 61.79 60.21 2ju5 h SER 6 Cb 1.26 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2ju5 h SER 6 CO 0.62 0.88 0.39 -0.83 -0.87 0.00 0.00 176.83 177.02 2ju5 s GLY 7 N -3.25 3.01 0.23 -0.77 0.00 -1.26 -4.95 107.32 100.33 2ju5 s GLY 7 Ca -0.12 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 2ju5 s GLY 7 CO 0.83 1.41 1.67 -2.09 0.00 0.00 0.00 173.10 174.91 2ju5 h GLU 8 N 4.90 0.70 -5.88 2.90 4.81 -2.02 -3.43 114.58 116.57 2ju5 h GLU 8 Ca -0.44 -0.27 -0.66 0.00 -0.13 0.00 0.00 59.36 57.86 2ju5 h GLU 8 Cb 1.21 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 2ju5 h GLU 8 CO 0.70 0.86 -0.55 -0.80 -0.73 0.00 0.00 179.01 178.49 2ju5 s ASN 9 N -6.75 5.87 0.26 1.04 0.01 -1.26 -5.09 114.94 109.01 2ju5 s ASN 9 Ca -0.09 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 2ju5 s ASN 9 Cb 0.13 -1.76 -0.09 0.00 0.41 0.00 0.00 41.25 39.94 2ju5 s ASN 9 CO 0.82 0.33 1.05 -0.76 -1.51 0.00 0.00 177.10 177.03 2ju5 s LEU 10 N -1.43 4.57 -0.17 0.60 1.02 -1.26 -5.04 118.68 116.98 2ju5 s LEU 10 Ca 0.20 2.15 -0.02 0.00 0.02 0.00 0.00 54.13 56.48 2ju5 s LEU 10 Cb -0.12 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.46 2ju5 s LEU 10 CO 0.10 -0.06 -0.08 -1.10 0.02 0.00 0.00 176.35 175.23 2ju5 s GLN 11 N -1.25 3.44 0.04 1.70 -0.21 -1.26 -5.11 119.66 117.02 2ju5 s GLN 11 Ca 0.44 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2ju5 s GLN 11 Cb -0.30 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 2ju5 s GLN 11 CO 0.38 0.07 -0.09 -1.14 -2.12 0.00 0.00 175.29 172.38 2ju5 s GLN 12 N 0.77 0.62 -0.05 2.91 2.00 -1.26 -5.15 119.66 119.50 2ju5 s GLN 12 Ca -0.03 -0.71 0.05 0.00 -2.00 0.00 0.00 55.36 52.67 2ju5 s GLN 12 Cb -0.15 -0.48 -0.02 0.00 0.80 0.00 0.00 33.01 33.16 2ju5 s GLN 12 CO 0.02 0.11 -0.21 0.95 -0.50 0.00 0.00 175.29 175.65 2ju5 s THR 13 N -1.12 2.48 -0.09 -0.34 -4.23 -1.26 -5.02 115.64 106.06 2ju5 s THR 13 Ca -0.05 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2ju5 s THR 13 Cb -0.09 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2ju5 s THR 13 CO 0.01 0.58 -0.09 -1.14 -0.54 0.00 0.00 174.62 173.44 2ju5 n ARG 14 N 2.60 0.22 -1.97 3.99 0.63 -1.26 -5.04 116.66 115.83 2ju5 n ARG 14 Ca -0.17 0.06 -0.37 0.00 -0.92 0.00 0.00 57.85 56.44 2ju5 n ARG 14 Cb 0.52 -1.11 0.03 0.00 0.45 0.00 0.00 32.46 32.34 2ju5 n ARG 14 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2ju5 s PRO 15 N -2.18 3.27 0.15 -0.14 0.02 -1.26 -4.95 135.00 129.91 2ju5 s PRO 15 Ca -0.12 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 62.79 2ju5 s PRO 15 Cb 0.03 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2ju5 s PRO 15 CO 0.20 -1.02 1.56 0.97 -0.33 0.00 0.00 177.00 178.37 2ju5 h ILE 16 N 1.43 1.27 0.00 2.83 2.10 -2.07 -3.46 117.51 119.61 2ju5 h ILE 16 Ca -0.50 -1.22 0.00 0.00 1.08 0.00 0.00 64.86 64.22 2ju5 h ILE 16 Cb 1.29 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2ju5 h ILE 16 CO 0.58 0.42 0.00 0.00 -1.08 0.00 0.00 178.15 178.06 2ju5 n ALA 17 N -2.47 0.35 -0.12 0.18 0.00 -1.26 -5.16 120.51 112.02 2ju5 n ALA 17 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ju5 n ALA 17 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 n ALA 18 N -2.51 0.00 -1.53 0.00 0.00 -1.26 -4.97 120.51 110.24 2ju5 n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ju5 n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ju5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 n ALA 19 N 0.29 -2.05 -1.30 0.00 0.00 -1.26 -5.00 120.51 111.20 2ju5 n ALA 19 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2ju5 n ALA 19 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2ju5 n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ju5 n ASN 20 N -0.25 -7.02 -4.76 0.00 5.15 -1.26 -4.86 115.26 102.26 2ju5 n ASN 20 Ca 0.00 1.48 -0.40 0.00 -0.60 0.00 0.00 54.58 55.06 2ju5 n ASN 20 Cb 0.00 -3.99 -0.04 0.00 -0.53 0.00 0.00 39.78 35.22 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2ju5 s LEU 21 N -4.74 4.54 -0.50 1.20 2.96 -1.26 -5.01 118.68 115.87 2ju5 s LEU 21 Ca 0.00 2.28 -0.16 0.00 -0.22 0.00 0.00 54.13 56.02 2ju5 s LEU 21 Cb 0.00 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.15 2ju5 s LEU 21 CO 0.00 -0.17 0.47 -1.10 -1.32 0.00 0.00 176.35 174.22 2ju5 s GLN 22 N -1.34 3.00 0.20 1.98 -0.21 -1.26 -5.05 119.66 116.98 2ju5 s GLN 22 Ca 0.45 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 2ju5 s GLN 22 Cb -0.32 -4.18 -0.08 0.00 1.00 0.00 0.00 33.01 29.43 2ju5 s GLN 22 CO 0.41 -1.15 1.01 -1.58 -2.12 0.00 0.00 175.29 171.86 2ju5 s TRP 23 N 1.81 3.79 0.25 0.91 0.52 -1.26 -4.41 118.94 120.55 2ju5 s TRP 23 Ca 0.06 1.78 0.09 0.00 0.02 0.00 0.00 56.10 58.04 2ju5 s TRP 23 Cb -0.25 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 28.90 2ju5 s TRP 23 CO 0.06 -0.01 -0.14 -1.21 0.02 0.00 0.00 176.95 175.68 2ju5 s GLU 24 N -0.78 1.50 0.59 4.98 2.02 -0.32 -5.04 118.70 121.66 2ju5 s GLU 24 Ca 0.45 -1.70 -0.14 0.00 0.02 0.00 0.00 54.97 53.60 2ju5 s GLU 24 Cb -0.27 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 2ju5 s GLU 24 CO 0.34 0.19 1.02 -1.12 0.02 0.00 0.00 175.26 175.71 2ju5 s SER 25 N -3.41 6.14 0.22 -0.19 0.01 -1.26 -4.31 113.70 110.90 2ju5 s SER 25 Ca 0.27 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 59.02 2ju5 s SER 25 Cb -0.01 -2.50 0.25 0.00 0.21 0.00 0.00 66.02 63.97 2ju5 s SER 25 CO 0.11 -0.92 1.84 0.22 0.41 0.00 0.00 173.24 174.90 2ju5 h TYR 26 N 0.17 0.85 -0.33 2.43 3.20 -1.94 0.59 116.97 121.96 2ju5 h TYR 26 Ca -0.45 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.31 2ju5 h TYR 26 Cb 1.20 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2ju5 h TYR 26 CO 0.63 0.46 -0.32 0.00 -1.64 0.00 0.00 178.16 177.29 2ju5 h ALA 27 N 1.35 0.83 -0.39 1.82 0.00 -2.00 -2.79 119.26 118.06 2ju5 h ALA 27 Ca 0.32 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2ju5 h ALA 27 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ju5 h ALA 27 CO -0.15 0.64 -0.34 0.93 0.00 0.00 0.00 179.25 180.34 2ju5 h GLU 28 N 0.60 0.89 -0.36 0.00 4.39 -1.59 -2.62 114.58 115.89 2ju5 h GLU 28 Ca 0.07 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.34 2ju5 h GLU 28 Cb 0.84 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2ju5 h GLU 28 CO 0.07 1.09 0.22 0.00 -1.16 0.00 0.00 179.01 179.23 2ju5 h ALA 29 N 0.86 0.45 -0.62 3.43 0.00 0.27 -1.32 119.26 122.34 2ju5 h ALA 29 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2ju5 h ALA 29 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ju5 h ALA 29 CO 0.08 -0.13 0.08 -0.07 0.00 0.00 0.00 179.25 179.22 2ju5 h LEU 30 N 0.44 1.00 -0.51 0.00 3.38 -1.49 0.35 115.31 118.48 2ju5 h LEU 30 Ca 0.14 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2ju5 h LEU 30 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2ju5 h LEU 30 CO -0.06 1.02 0.27 -0.33 0.09 0.00 0.00 178.44 179.43 2ju5 h GLU 31 N 0.95 0.51 -0.39 1.13 5.08 -1.11 0.43 114.58 121.18 2ju5 h GLU 31 Ca 0.19 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2ju5 h GLU 31 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ju5 h GLU 31 CO 0.02 0.33 -0.11 0.45 -1.00 0.00 0.00 179.01 178.70 2ju5 h HIS 32 N 0.52 0.86 -0.28 4.33 3.86 -0.95 -3.09 115.15 120.40 2ju5 h HIS 32 Ca 0.22 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2ju5 h HIS 32 Cb 0.12 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2ju5 h HIS 32 CO -0.10 0.90 -0.13 0.77 0.86 0.00 0.00 177.93 180.24 2ju5 h SER 33 N 0.56 0.45 -0.22 2.45 0.02 -0.12 1.23 113.55 117.93 2ju5 h SER 33 Ca 0.10 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2ju5 h SER 33 Cb 0.63 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2ju5 h SER 33 CO 0.04 0.62 0.16 0.11 -1.14 0.00 0.00 176.83 176.61 2ju5 h LYS 34 N 0.44 0.06 0.00 3.45 1.57 -0.09 1.43 116.57 123.43 2ju5 h LYS 34 Ca 0.08 -0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.47 2ju5 h LYS 34 Cb 0.48 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 2ju5 h LYS 34 CO 0.03 0.04 -2.47 1.04 -0.57 0.00 0.00 179.45 177.52 2ju5 n GLN 35 N -4.48 0.65 0.03 3.15 6.02 -0.59 -4.61 117.38 117.55 2ju5 n GLN 35 Ca 0.02 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.28 2ju5 n GLN 35 Cb 0.26 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.31 0.44 -0.33 1.08 8.00 0.41 -4.98 116.55 117.87 2ju5 n ASP 36 Ca -0.46 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.01 2ju5 n ASP 36 Cb 0.99 1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 43.28 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 -2.29 0.00 -2.53 1.24 8.25 0.49 -4.97 115.22 115.41 2ju5 n HIS 37 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2ju5 n HIS 37 Cb 0.52 -1.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.07 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 -1.82 4.59 0.63 -0.41 1.02 -1.26 -4.85 119.74 117.65 2ju5 s LYS 38 Ca 0.00 1.70 -0.18 0.00 0.02 0.00 0.00 55.97 57.50 2ju5 s LYS 38 Cb 0.00 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2ju5 s LYS 38 CO 0.00 0.06 1.27 -2.30 -0.92 0.00 0.00 175.35 173.47 2ju5 n PRO 39 N 2.50 1.17 -4.43 -1.68 -0.02 -1.26 -4.66 135.00 126.62 2ju5 n PRO 39 Ca 0.03 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 2ju5 n PRO 39 Cb 0.46 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.38 3.77 -0.29 4.25 1.01 0.13 -1.93 121.20 126.76 2ju5 s ILE 40 Ca 0.81 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2ju5 s ILE 40 Cb -0.39 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 2ju5 s ILE 40 CO 0.42 0.49 0.09 -0.83 0.00 0.00 0.00 174.94 175.11 2ju5 s GLY 41 N 0.41 1.79 -0.26 6.18 0.00 -0.18 -1.63 107.32 113.63 2ju5 s GLY 41 Ca -0.05 -1.37 -0.14 0.00 0.00 0.00 0.00 44.72 43.16 2ju5 s GLY 41 CO 0.03 0.63 0.31 1.08 0.00 0.00 0.00 173.10 175.15 2ju5 s LEU 42 N 1.54 4.05 -0.47 0.66 1.02 -1.06 -1.11 118.68 123.31 2ju5 s LEU 42 Ca 0.04 0.22 -0.19 0.00 0.02 0.00 0.00 54.13 54.22 2ju5 s LEU 42 Cb -0.17 -2.33 0.04 0.00 0.02 0.00 0.00 46.19 43.75 2ju5 s LEU 42 CO 0.03 -0.12 0.60 0.12 0.02 0.00 0.00 176.35 177.00 2ju5 s PHE 43 N 1.83 3.07 -0.25 0.29 5.36 -0.20 -3.29 117.98 124.79 2ju5 s PHE 43 Ca 0.13 -0.37 -0.14 0.00 -0.96 0.00 0.00 56.93 55.58 2ju5 s PHE 43 Cb -0.16 -3.38 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 2ju5 s PHE 43 CO 0.09 -0.93 0.34 -0.06 -1.46 0.00 0.00 175.22 173.20 2ju5 s PHE 44 N 2.61 3.27 0.17 10.12 0.08 -1.00 -0.93 117.98 132.30 2ju5 s PHE 44 Ca 0.17 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.57 2ju5 s PHE 44 Cb -0.17 -2.51 0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2ju5 s PHE 44 CO 0.14 -0.15 0.31 0.25 -0.10 0.00 0.00 175.22 175.67 2ju5 n THR 45 N 4.88 0.00 -3.66 0.64 -2.24 -1.05 -2.80 114.28 110.04 2ju5 n THR 45 Ca -0.10 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 2ju5 n THR 45 Cb 0.51 0.47 -0.12 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 -1.95 1.65 0.39 3.38 0.00 -1.26 -1.05 107.32 108.48 2ju5 s GLY 46 Ca 0.09 -2.61 0.15 0.00 0.00 0.00 0.00 44.72 42.35 2ju5 s GLY 46 CO 0.07 1.63 1.83 0.23 0.00 0.00 0.00 173.10 176.86 2ju5 h SER 47 N 6.51 0.49 -0.02 1.64 0.87 -1.89 -2.03 113.55 119.13 2ju5 h SER 47 Ca 0.04 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2ju5 h SER 47 Cb 0.91 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2ju5 h SER 47 CO 0.47 0.19 -0.30 0.47 -0.53 0.00 0.00 176.83 177.13 2ju5 n ASP 48 N -4.57 1.98 0.00 6.23 8.00 -1.26 -4.76 116.55 122.18 2ju5 n ASP 48 Ca 0.20 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2ju5 n ASP 48 Cb 0.68 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.20 0.00 -3.71 1.24 4.27 -1.06 -4.89 117.44 113.49 2ju5 n TRP 49 Ca 0.09 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.36 2ju5 n TRP 49 Cb 0.41 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.31 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 n MET 51 N 0.76 0.74 0.27 0.00 1.56 -1.26 -4.16 117.12 115.04 2ju5 n MET 51 Ca -0.08 0.08 0.11 0.00 -0.27 0.00 0.00 57.70 57.55 2ju5 n MET 51 Cb 0.52 -1.39 0.77 0.00 2.15 0.00 0.00 33.22 35.27 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 -0.19 1.12 6.55 -1.95 -0.63 115.95 120.85 2ju5 h TRP 52 Ca -0.43 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.31 2ju5 h TRP 52 Cb 1.73 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 30.03 2ju5 h TRP 52 CO 0.02 0.03 -0.29 0.00 -1.05 0.00 0.00 178.44 177.15 2ju5 h ILE 54 N 0.19 1.05 -0.64 0.00 2.04 -1.32 0.11 117.51 118.95 2ju5 h ILE 54 Ca 0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2ju5 h ILE 54 Cb 0.87 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2ju5 h ILE 54 CO 0.07 0.14 0.37 0.11 0.00 0.00 0.00 178.15 178.83 2ju5 h LYS 55 N 0.76 0.87 -0.48 2.37 1.79 -1.10 0.48 116.57 121.27 2ju5 h LYS 55 Ca 0.27 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2ju5 h LYS 55 Cb 0.06 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 2ju5 h LYS 55 CO -0.12 0.64 0.24 1.98 -1.08 0.00 0.00 179.45 181.11 2ju5 h MET 56 N 0.86 0.68 -0.08 3.15 4.05 -0.12 0.46 114.93 123.93 2ju5 h MET 56 Ca 0.23 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2ju5 h MET 56 Cb 0.01 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2ju5 h MET 56 CO -0.04 0.56 0.01 1.96 0.23 0.00 0.00 176.91 179.63 2ju5 h GLN 57 N 0.63 0.13 -0.50 0.39 4.20 -0.35 0.99 115.11 120.59 2ju5 h GLN 57 Ca 0.17 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2ju5 h GLN 57 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2ju5 h GLN 57 CO -0.02 0.34 -0.13 0.22 -0.67 0.00 0.00 178.83 178.57 2ju5 h ASP 58 N -0.11 0.97 0.56 1.46 1.82 0.11 0.78 116.42 122.01 2ju5 h ASP 58 Ca 0.02 -0.36 -0.16 0.00 -0.39 0.00 0.00 57.03 56.14 2ju5 h ASP 58 Cb 0.28 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 2ju5 h ASP 58 CO 0.00 1.11 -1.57 0.00 -1.61 0.00 0.00 179.24 177.18 2ju5 n GLN 59 N -4.19 0.63 0.01 0.28 6.02 0.16 -4.41 117.38 115.89 2ju5 n GLN 59 Ca 0.01 0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 57.12 2ju5 n GLN 59 Cb 0.40 -1.75 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2ju5 n ILE 60 N -2.79 1.06 -0.30 5.09 5.41 0.29 -2.99 119.36 125.13 2ju5 n ILE 60 Ca -0.11 0.26 -0.06 0.00 1.00 0.00 0.00 62.75 63.84 2ju5 n ILE 60 Cb 0.83 -1.70 0.07 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.19 1.11 -0.91 1.39 -0.00 -1.34 -2.48 115.31 112.89 2ju5 h LEU 61 Ca -0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2ju5 h LEU 61 Cb 0.40 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2ju5 h LEU 61 CO -0.02 0.97 0.00 0.00 -0.00 0.00 0.00 178.44 179.39 2ju5 n GLN 62 N -4.28 1.61 -2.51 1.13 1.13 0.26 -4.32 117.38 110.40 2ju5 n GLN 62 Ca 0.08 -0.90 -0.33 0.00 -1.94 0.00 0.00 57.00 53.90 2ju5 n GLN 62 Cb 0.18 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 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 -1.71 6.58 0.19 1.08 1.04 -0.93 -4.93 113.70 115.01 2ju5 s SER 63 Ca 0.34 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 58.33 2ju5 s SER 63 Cb 0.18 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.89 2ju5 s SER 63 CO 0.28 -0.61 1.84 0.28 0.98 0.00 0.00 173.24 176.00 2ju5 h SER 64 N 1.26 0.62 -0.53 7.02 0.02 -1.91 -2.04 113.55 117.99 2ju5 h SER 64 Ca -0.48 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 2ju5 h SER 64 Cb 1.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2ju5 h SER 64 CO 0.60 0.44 0.24 -0.33 -1.14 0.00 0.00 176.83 176.64 2ju5 h GLU 65 N 0.74 0.78 -0.51 3.45 3.07 -1.91 -2.08 114.58 118.12 2ju5 h GLU 65 Ca 0.23 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2ju5 h GLU 65 Cb -0.02 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2ju5 h GLU 65 CO -0.08 0.65 0.10 0.35 -1.40 0.00 0.00 179.01 178.64 2ju5 h PHE 66 N 0.72 0.87 -0.50 4.33 3.57 -1.72 -1.69 116.94 122.52 2ju5 h PHE 66 Ca 0.18 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2ju5 h PHE 66 Cb 0.14 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2ju5 h PHE 66 CO -0.00 0.78 0.32 0.87 -2.23 0.00 0.00 178.31 178.05 2ju5 h LYS 67 N 0.71 0.66 -0.20 1.11 1.57 -1.20 0.22 116.57 119.44 2ju5 h LYS 67 Ca 0.16 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2ju5 h LYS 67 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2ju5 h LYS 67 CO 0.01 0.45 0.05 1.25 -0.57 0.00 0.00 179.45 180.63 2ju5 h HIS 68 N 0.67 0.33 0.02 -1.35 2.76 -1.28 0.20 115.15 116.50 2ju5 h HIS 68 Ca 0.18 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2ju5 h HIS 68 Cb -0.06 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.81 2ju5 h HIS 68 CO -0.04 0.44 -0.01 0.35 -1.30 0.00 0.00 177.93 177.37 2ju5 h PHE 69 N 0.13 -0.02 -0.30 5.26 3.57 -1.08 -2.43 116.94 122.08 2ju5 h PHE 69 Ca 0.06 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 69 Cb 0.27 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2ju5 h PHE 69 CO 0.01 0.07 -0.32 0.00 -2.23 0.00 0.00 178.31 175.84 2ju5 h ALA 70 N 0.87 0.88 -0.42 2.41 0.00 -0.51 0.52 119.26 123.00 2ju5 h ALA 70 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2ju5 h ALA 70 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ju5 h ALA 70 CO 0.00 0.63 0.03 0.78 0.00 0.00 0.00 179.25 180.69 2ju5 h GLY 71 N 1.00 0.72 0.55 0.00 0.00 -0.54 0.20 103.07 104.99 2ju5 h GLY 71 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 47.33 46.66 2ju5 h GLY 71 CO 0.07 0.41 -1.57 -2.08 0.00 0.00 0.00 176.54 173.36 2ju5 h VAL 72 N 0.63 0.91 -0.01 4.60 2.07 -1.26 -3.42 116.25 119.78 2ju5 h VAL 72 Ca 0.13 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2ju5 h VAL 72 Cb 0.36 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2ju5 h VAL 72 CO 0.01 0.73 -0.32 1.41 0.02 0.00 0.00 177.57 179.42 2ju5 n HIS 73 N -3.84 0.00 -4.16 1.57 -0.00 0.18 -5.07 115.22 103.90 2ju5 n HIS 73 Ca -0.27 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.34 2ju5 n HIS 73 Cb 0.93 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.82 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 -1.94 1.42 -0.18 2.41 1.02 0.68 -4.21 118.68 117.89 2ju5 s LEU 74 Ca 0.09 -1.28 -0.02 0.00 0.02 0.00 0.00 54.13 52.95 2ju5 s LEU 74 Cb 0.10 0.40 -0.01 0.00 0.02 0.00 0.00 46.19 46.70 2ju5 s LEU 74 CO 0.35 -0.79 -0.10 -1.00 0.02 0.00 0.00 176.35 174.83 2ju5 s HIS 75 N -4.10 2.87 -0.12 0.29 3.76 -0.81 -4.51 115.29 112.67 2ju5 s HIS 75 Ca 0.31 -0.96 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2ju5 s HIS 75 Cb 0.07 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2ju5 s HIS 75 CO 0.07 -0.48 0.05 1.41 -0.85 0.00 0.00 174.74 174.94 2ju5 s MET 76 N 1.05 3.38 -0.06 1.40 1.75 -1.26 -1.01 119.30 124.55 2ju5 s MET 76 Ca -0.00 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 2ju5 s MET 76 Cb -0.15 -3.00 0.00 0.00 2.84 0.00 0.00 34.83 34.52 2ju5 s MET 76 CO -0.02 0.59 -0.17 0.08 -0.65 0.00 0.00 175.02 174.85 2ju5 s VAL 77 N -0.55 1.47 -0.21 10.11 1.01 -0.26 -1.17 120.40 130.81 2ju5 s VAL 77 Ca 0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 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 0.43 0.36 -0.70 0.00 0.00 0.00 175.10 175.21 2ju5 s GLU 78 N 0.33 4.16 -0.40 2.72 2.56 -1.26 -1.03 118.70 125.78 2ju5 s GLU 78 Ca -0.11 0.13 0.02 0.00 0.00 0.00 0.00 54.97 55.01 2ju5 s GLU 78 Cb -0.15 -3.53 0.12 0.00 2.00 0.00 0.00 34.13 32.57 2ju5 s GLU 78 CO 0.04 -0.02 0.18 0.08 -0.56 0.00 0.00 175.26 174.98 2ju5 s VAL 79 N 1.26 1.50 -0.01 3.70 1.01 -0.11 -4.91 120.40 122.84 2ju5 s VAL 79 Ca 0.17 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.86 2ju5 s VAL 79 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2ju5 s VAL 79 CO 0.07 -0.79 0.05 1.51 0.00 0.00 0.00 175.10 175.94 2ju5 s ASP 80 N 0.70 5.43 -0.57 3.32 -4.77 -1.26 -2.54 116.67 116.98 2ju5 s ASP 80 Ca 0.15 0.08 0.06 0.00 -3.30 0.00 0.00 52.55 49.53 2ju5 s ASP 80 Cb -0.22 -1.50 0.20 0.00 -1.09 0.00 0.00 42.92 40.31 2ju5 s ASP 80 CO -0.07 0.28 0.53 0.49 0.70 0.00 0.00 175.17 177.10 2ju5 n PHE 81 N 1.30 1.85 -1.67 2.11 3.01 -0.21 -4.96 117.46 118.89 2ju5 n PHE 81 Ca -0.14 -3.93 -0.30 0.00 1.01 0.00 0.00 57.45 54.09 2ju5 n PHE 81 Cb 0.53 -0.37 0.06 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.35 2.60 0.12 -1.08 0.04 -1.26 -4.46 135.00 129.61 2ju5 s PRO 82 Ca 0.32 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 2ju5 s PRO 82 Cb 0.06 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2ju5 s PRO 82 CO -0.13 -1.27 1.39 1.96 0.04 0.00 0.00 177.00 179.00 2ju5 h GLN 83 N -0.83 0.85 -4.11 4.56 4.20 -1.95 -3.37 115.11 114.46 2ju5 h GLN 83 Ca -0.45 -0.57 -0.76 0.00 0.06 0.00 0.00 58.65 56.93 2ju5 h GLN 83 Cb 1.24 0.08 -0.25 0.00 0.30 0.00 0.00 27.48 28.85 2ju5 h GLN 83 CO 0.60 1.20 -0.23 0.21 -0.67 0.00 0.00 178.83 179.94 2ju5 s LYS 84 N -4.03 2.94 -0.16 1.46 2.20 -1.26 -5.04 119.74 115.84 2ju5 s LYS 84 Ca -0.10 -1.77 -0.23 0.00 -0.36 0.00 0.00 55.97 53.50 2ju5 s LYS 84 Cb 0.10 -4.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 2ju5 s LYS 84 CO 0.89 -1.30 0.73 -0.80 -0.36 0.00 0.00 175.35 174.50 2ju5 s ASN 85 N 3.34 6.86 -0.02 1.43 0.01 -1.26 -4.90 114.94 120.40 2ju5 s ASN 85 Ca 0.04 1.05 0.02 0.00 -0.71 0.00 0.00 52.86 53.26 2ju5 s ASN 85 Cb -0.28 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.01 2ju5 s ASN 85 CO 0.02 -0.29 0.82 1.41 -1.51 0.00 0.00 177.10 177.55 2ju5 n HIS 86 N 4.85 0.00 -2.75 2.20 8.25 -1.26 -5.08 115.22 121.43 2ju5 n HIS 86 Ca 0.01 -0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 56.88 2ju5 n HIS 86 Cb 0.50 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.69 3.73 0.64 -0.41 -0.21 -1.26 -5.06 119.66 116.41 2ju5 s GLN 87 Ca 0.04 0.45 -0.16 0.00 0.02 0.00 0.00 55.36 55.71 2ju5 s GLN 87 Cb 0.04 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 2ju5 s GLN 87 CO 0.00 -0.10 1.12 -1.25 -2.12 0.00 0.00 175.29 172.94 2ju5 s PRO 88 N -4.09 2.87 0.21 2.91 0.04 -1.26 -4.81 135.00 130.87 2ju5 s PRO 88 Ca 0.51 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 2ju5 s PRO 88 Cb -0.10 -1.95 0.29 0.00 0.04 0.00 0.00 34.50 32.77 2ju5 s PRO 88 CO 0.35 -1.21 1.74 1.49 0.04 0.00 0.00 177.00 179.41 2ju5 h GLU 89 N 0.26 0.38 -0.89 4.56 4.57 -1.99 -1.45 114.58 120.02 2ju5 h GLU 89 Ca -0.48 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.73 2ju5 h GLU 89 Cb 1.25 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 2ju5 h GLU 89 CO 0.54 0.25 0.58 0.93 -1.18 0.00 0.00 179.01 180.13 2ju5 h GLU 90 N 0.39 1.04 -0.33 1.92 4.39 -2.00 0.06 114.58 120.05 2ju5 h GLU 90 Ca 0.31 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 2ju5 h GLU 90 Cb 0.40 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2ju5 h GLU 90 CO -0.32 0.69 -0.30 0.37 -1.16 0.00 0.00 179.01 178.28 2ju5 h GLN 91 N 1.07 0.79 -0.56 2.33 5.75 -1.72 -2.26 115.11 120.51 2ju5 h GLN 91 Ca 0.36 -0.41 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 2ju5 h GLN 91 Cb 0.09 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2ju5 h GLN 91 CO -0.12 1.04 0.11 0.00 -2.65 0.00 0.00 178.83 177.21 2ju5 h ARG 92 N 0.57 0.92 -0.32 1.69 3.08 -0.63 -0.45 114.38 119.24 2ju5 h ARG 92 Ca 0.06 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2ju5 h ARG 92 Cb 0.88 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2ju5 h ARG 92 CO 0.08 0.87 0.19 1.96 -1.07 0.00 0.00 179.97 182.00 2ju5 h GLN 93 N 0.82 0.44 -0.57 0.04 4.20 -0.96 0.13 115.11 119.21 2ju5 h GLN 93 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2ju5 h GLN 93 Cb 0.39 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2ju5 h GLN 93 CO 0.01 0.35 0.31 -0.22 -0.67 0.00 0.00 178.83 178.60 2ju5 h LYS 94 N 0.41 0.81 -0.55 1.46 3.64 -1.23 0.91 116.57 122.01 2ju5 h LYS 94 Ca 0.12 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2ju5 h LYS 94 Cb 0.02 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2ju5 h LYS 94 CO -0.02 0.63 0.29 -0.91 -2.27 0.00 0.00 179.45 177.17 2ju5 h ASN 95 N 0.78 0.70 -0.60 4.20 -0.26 -0.70 0.20 115.58 119.89 2ju5 h ASN 95 Ca 0.20 -0.10 -0.10 0.00 -0.56 0.00 0.00 56.30 55.74 2ju5 h ASN 95 Cb 0.06 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 2ju5 h ASN 95 CO -0.03 0.60 -0.01 1.56 -1.06 0.00 0.00 177.43 178.49 2ju5 h GLN 96 N 0.75 1.07 -0.50 0.81 1.08 -0.70 0.11 115.11 117.74 2ju5 h GLN 96 Ca 0.19 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 2ju5 h GLN 96 Cb 0.07 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2ju5 h GLN 96 CO -0.03 1.05 0.23 1.49 -0.95 0.00 0.00 178.83 180.62 2ju5 h GLU 97 N 0.97 0.73 -0.50 1.46 4.81 -0.41 -1.34 114.58 120.30 2ju5 h GLU 97 Ca 0.17 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2ju5 h GLU 97 Cb 0.57 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2ju5 h GLU 97 CO 0.03 0.62 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.79 2ju5 h LEU 98 N 0.66 0.89 -1.07 1.64 4.07 -0.40 0.54 115.31 121.64 2ju5 h LEU 98 Ca 0.17 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2ju5 h LEU 98 Cb 0.15 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 2ju5 h LEU 98 CO -0.02 0.99 0.49 0.50 -1.08 0.00 0.00 178.44 179.32 2ju5 h LYS 99 N 0.81 1.13 0.16 1.13 3.64 -0.37 0.24 116.57 123.32 2ju5 h LYS 99 Ca 0.14 -0.11 -0.31 0.00 -1.27 0.00 0.00 60.65 59.10 2ju5 h LYS 99 Cb 0.59 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2ju5 h LYS 99 CO 0.04 0.80 -1.48 0.00 -2.27 0.00 0.00 179.45 176.54 2ju5 h ALA 100 N 1.39 0.12 -0.61 5.00 0.00 -0.88 0.25 119.26 124.53 2ju5 h ALA 100 Ca 0.30 -1.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 2ju5 h ALA 100 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ju5 h ALA 100 CO -0.05 0.99 0.04 0.37 0.00 0.00 0.00 179.25 180.60 2ju5 h GLN 101 N 0.09 1.04 -0.17 0.00 4.15 0.38 -2.35 115.11 118.25 2ju5 h GLN 101 Ca -0.23 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2ju5 h GLN 101 Cb 2.05 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.63 2ju5 h GLN 101 CO 0.20 0.99 0.00 0.66 -1.93 0.00 0.00 178.83 178.75 2ju5 n TYR 102 N -4.19 0.22 -3.72 3.99 4.02 0.05 -4.92 117.16 112.61 2ju5 n TYR 102 Ca 0.03 -0.11 -0.24 0.00 -0.01 0.00 0.00 57.90 57.58 2ju5 n TYR 102 Cb 0.32 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.68 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ju5 n LYS 103 N 0.25 -5.56 -3.15 -0.72 5.02 -0.88 -4.93 118.16 108.19 2ju5 n LYS 103 Ca 0.15 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.70 2ju5 n LYS 103 Cb 0.30 -5.41 -0.06 0.00 -0.02 0.00 0.00 35.03 29.84 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 -3.50 5.04 -0.00 -0.18 1.01 0.86 -4.89 120.40 118.73 2ju5 s VAL 104 Ca 0.24 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 2ju5 s VAL 104 Cb -0.12 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2ju5 s VAL 104 CO 0.80 0.12 -0.00 0.35 0.00 0.00 0.00 175.10 176.37 2ju5 n THR 105 N 4.69 0.01 -4.00 3.92 -2.24 -1.26 -4.74 114.28 110.66 2ju5 n THR 105 Ca -0.02 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2ju5 n THR 105 Cb 0.50 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 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 -4.81 2.09 0.11 3.38 0.00 -1.26 -5.12 107.32 101.72 2ju5 s GLY 106 Ca -0.00 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.92 2ju5 s GLY 106 CO 0.00 -0.79 -0.17 -0.11 0.00 0.00 0.00 173.10 172.03 2ju5 s PHE 107 N -1.33 1.58 0.35 1.90 -0.12 -1.26 -4.11 117.98 114.99 2ju5 s PHE 107 Ca 0.28 -0.47 -0.25 0.00 -0.05 0.00 0.00 56.93 56.43 2ju5 s PHE 107 Cb -0.12 -0.84 -0.10 0.00 -0.63 0.00 0.00 43.02 41.33 2ju5 s PHE 107 CO 0.20 0.19 0.98 -1.25 -0.05 0.00 0.00 175.22 175.29 2ju5 s PRO 108 N -2.25 4.44 -0.03 1.99 0.04 -1.26 -4.83 135.00 133.09 2ju5 s PRO 108 Ca 0.07 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 2ju5 s PRO 108 Cb -0.08 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.79 2ju5 s PRO 108 CO 0.04 0.13 0.03 -2.00 0.04 0.00 0.00 177.00 175.24 2ju5 s GLU 109 N -2.24 0.03 -0.20 4.56 2.12 -1.12 -3.78 118.70 118.07 2ju5 s GLU 109 Ca 0.53 0.21 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 2ju5 s GLU 109 Cb -0.20 -0.36 -0.00 0.00 0.26 0.00 0.00 34.13 33.83 2ju5 s GLU 109 CO 0.25 -0.20 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.51 2ju5 s LEU 110 N 1.31 2.66 -0.12 2.70 0.20 0.22 -2.37 118.68 123.29 2ju5 s LEU 110 Ca -0.06 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.31 2ju5 s LEU 110 Cb -0.13 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.97 2ju5 s LEU 110 CO -0.03 0.00 -0.16 0.68 -0.29 0.00 0.00 176.35 176.55 2ju5 s VAL 111 N 1.32 2.77 -0.22 1.68 -7.23 -1.21 -0.26 120.40 117.26 2ju5 s VAL 111 Ca 0.04 -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 -0.05 0.53 0.19 -0.36 -0.31 0.00 0.00 175.10 175.10 2ju5 s PHE 112 N 0.36 3.35 0.12 2.82 0.40 0.74 -2.56 117.98 123.21 2ju5 s PHE 112 Ca -0.13 0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.55 2ju5 s PHE 112 Cb -0.16 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 2ju5 s PHE 112 CO 0.06 0.10 -0.10 0.96 0.70 0.00 0.00 175.22 176.95 2ju5 s ILE 113 N 0.94 1.04 0.55 0.64 -4.36 -0.65 -0.59 121.20 118.77 2ju5 s ILE 113 Ca 0.09 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 2ju5 s ILE 113 Cb -0.13 -1.63 0.11 0.00 1.25 0.00 0.00 42.46 42.06 2ju5 s ILE 113 CO 0.04 -0.67 0.75 -0.90 0.24 0.00 0.00 174.94 174.40 2ju5 n ASP 114 N 0.14 0.95 0.04 4.36 5.75 -0.34 0.18 116.55 127.63 2ju5 n ASP 114 Ca -0.13 -1.82 0.09 0.00 -0.01 0.00 0.00 54.79 52.93 2ju5 n ASP 114 Cb 0.59 -0.49 0.38 0.00 -1.03 0.00 0.00 41.12 40.58 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 -2.97 1.73 1.08 2.12 0.00 -1.26 -1.75 120.51 119.47 2ju5 n ALA 115 Ca -0.12 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2ju5 n ALA 115 Cb 0.44 -1.30 0.17 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 -1.72 2.15 -0.69 0.00 1.02 -1.26 -4.78 120.64 115.36 2ju5 n GLU 116 Ca 0.03 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 2ju5 n GLU 116 Cb 0.21 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.33 0.62 3.76 0.62 0.00 -0.72 -5.04 105.19 105.76 2ju5 n GLY 117 Ca 0.15 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.74 4.47 -0.13 1.61 1.02 -1.26 -4.78 119.74 119.93 2ju5 s LYS 118 Ca 0.00 1.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.72 2ju5 s LYS 118 Cb 0.00 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2ju5 s LYS 118 CO 0.00 0.41 1.03 -1.14 -0.92 0.00 0.00 175.35 174.73 2ju5 s GLN 119 N -0.50 4.38 -0.16 1.68 0.74 -1.26 -1.20 119.66 123.35 2ju5 s GLN 119 Ca 0.36 1.40 0.16 0.00 0.05 0.00 0.00 55.36 57.33 2ju5 s GLN 119 Cb -0.21 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.09 2ju5 s GLN 119 CO 0.23 -0.40 0.24 1.28 -0.55 0.00 0.00 175.29 176.09 2ju5 n LEU 120 N 5.34 0.36 -3.61 3.68 4.32 0.24 -4.99 117.00 122.35 2ju5 n LEU 120 Ca 0.10 0.12 -0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2ju5 n LEU 120 Cb 0.48 0.35 -0.01 0.00 -1.62 0.00 0.00 43.42 42.62 2ju5 n LEU 120 CO 0.52 0.48 1.08 0.00 -1.22 0.00 0.00 177.39 178.26 2ju5 s ALA 121 N -2.52 -2.23 -0.10 -1.18 0.00 -1.21 -4.62 121.76 109.90 2ju5 s ALA 121 Ca -0.09 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 2ju5 s ALA 121 Cb 0.07 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2ju5 s ALA 121 CO 0.82 -0.87 0.33 -0.98 0.00 0.00 0.00 175.76 175.06 2ju5 s ARG 122 N -2.33 0.47 0.06 0.00 1.70 -1.26 -0.19 118.95 117.41 2ju5 s ARG 122 Ca 0.13 0.30 -0.05 0.00 -0.47 0.00 0.00 55.73 55.63 2ju5 s ARG 122 Cb 0.03 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2ju5 s ARG 122 CO -0.04 -0.08 0.09 -1.64 -1.08 0.00 0.00 175.30 172.54 2ju5 s MET 123 N -0.22 0.69 0.00 3.89 -1.94 0.65 -5.00 119.30 117.37 2ju5 s MET 123 Ca -0.04 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2ju5 s MET 123 Cb -0.03 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.07 2ju5 s MET 123 CO 0.01 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.26 2ju5 n GLY 124 N 0.21 5.12 3.71 -0.03 0.00 -1.26 0.73 105.19 113.67 2ju5 n GLY 124 Ca -0.16 -1.72 -0.42 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 2.90 3.65 -0.04 1.61 5.36 -1.25 -4.86 117.98 125.35 2ju5 s PHE 125 Ca 0.00 1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 57.51 2ju5 s PHE 125 Cb 0.00 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.63 2ju5 s PHE 125 CO 0.00 0.01 0.17 -1.21 -1.46 0.00 0.00 175.22 172.73 2ju5 s GLU 126 N 0.95 0.34 0.61 10.12 2.02 -1.26 -5.11 118.70 126.37 2ju5 s GLU 126 Ca 0.49 -0.02 -0.13 0.00 0.02 0.00 0.00 54.97 55.33 2ju5 s GLU 126 Cb -0.20 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 2ju5 s GLU 126 CO 0.26 -0.07 1.03 -1.25 0.02 0.00 0.00 175.26 175.26 2ju5 s PRO 127 N -0.55 3.45 0.00 0.39 0.04 -1.26 -4.50 135.00 132.58 2ju5 s PRO 127 Ca -0.06 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2ju5 s PRO 127 Cb -0.04 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2ju5 s PRO 127 CO 0.01 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2ju5 n GLY 128 N -1.86 1.34 0.00 0.56 0.00 -1.26 -4.96 105.19 99.01 2ju5 n GLY 128 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2ju5 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju5 n GLY 129 N 0.00 0.10 0.22 -0.02 0.00 -1.26 -4.37 105.19 99.86 2ju5 n GLY 129 Ca 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 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 0.77 0.97 -0.02 0.00 -1.84 -2.75 103.07 100.20 2ju5 h GLY 130 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2ju5 h GLY 130 CO 0.00 0.37 0.20 0.00 0.00 0.00 0.00 176.54 177.11 2ju5 h ALA 131 N 1.07 0.44 -0.45 3.60 0.00 -1.90 -2.59 119.26 119.42 2ju5 h ALA 131 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ju5 h ALA 131 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ju5 h ALA 131 CO -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.23 2ju5 h ALA 132 N 1.07 1.25 -0.65 0.00 0.00 -1.75 -2.85 119.26 116.34 2ju5 h ALA 132 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 132 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2ju5 h ALA 132 CO -0.02 0.51 0.32 -0.92 0.00 0.00 0.00 179.25 179.14 2ju5 h TYR 133 N 0.68 0.93 -0.55 0.00 3.20 -1.18 -2.75 116.97 117.29 2ju5 h TYR 133 Ca 0.14 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2ju5 h TYR 133 Cb 0.34 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2ju5 h TYR 133 CO 0.02 0.69 0.05 -0.39 -1.64 0.00 0.00 178.16 176.89 2ju5 h VAL 134 N 0.89 1.25 -0.83 1.81 -1.51 -1.25 -2.30 116.25 114.31 2ju5 h VAL 134 Ca 0.22 -1.00 0.03 0.00 -1.23 0.00 0.00 66.70 64.73 2ju5 h VAL 134 Cb 0.11 0.77 -0.05 0.00 -2.13 0.00 0.00 31.29 29.99 2ju5 h VAL 134 CO -0.03 0.36 0.53 0.28 -1.23 0.00 0.00 177.57 177.49 2ju5 h SER 135 N 0.85 0.88 -0.55 4.19 0.02 -1.30 -1.98 113.55 115.66 2ju5 h SER 135 Ca 0.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2ju5 h SER 135 Cb 0.43 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2ju5 h SER 135 CO 0.02 0.61 0.14 0.11 -1.14 0.00 0.00 176.83 176.56 2ju5 h LYS 136 N 1.04 0.88 -0.52 3.45 1.57 -1.24 -2.77 116.57 118.97 2ju5 h LYS 136 Ca 0.33 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2ju5 h LYS 136 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2ju5 h LYS 136 CO -0.11 0.82 -0.04 -0.24 -0.57 0.00 0.00 179.45 179.31 2ju5 h VAL 137 N 0.78 1.26 -0.69 0.50 3.04 -1.08 -2.12 116.25 117.93 2ju5 h VAL 137 Ca 0.17 -1.14 0.01 0.00 -1.01 0.00 0.00 66.70 64.74 2ju5 h VAL 137 Cb 0.34 0.90 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 2ju5 h VAL 137 CO 0.00 0.40 0.46 0.11 -1.01 0.00 0.00 177.57 177.53 2ju5 h LYS 138 N 0.84 0.90 -0.47 4.17 1.57 -1.22 0.38 116.57 122.74 2ju5 h LYS 138 Ca 0.15 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2ju5 h LYS 138 Cb 0.55 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2ju5 h LYS 138 CO 0.03 0.60 -0.14 0.66 -0.57 0.00 0.00 179.45 180.02 2ju5 h SER 139 N 0.93 0.90 -0.51 0.86 4.64 -1.31 -0.41 113.55 118.65 2ju5 h SER 139 Ca 0.26 -0.30 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 2ju5 h SER 139 Cb -0.09 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 2ju5 h SER 139 CO -0.06 1.04 -0.14 0.00 -0.87 0.00 0.00 176.83 176.80 2ju5 h ALA 140 N 1.03 0.76 -0.01 5.18 0.00 -0.82 -2.96 119.26 122.44 2ju5 h ALA 140 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ju5 h ALA 140 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ju5 h ALA 140 CO 0.05 0.67 -0.16 1.28 0.00 0.00 0.00 179.25 181.10 2ju5 n LEU 141 N -4.13 0.95 -3.07 0.00 4.32 0.07 -4.68 117.00 110.46 2ju5 n LEU 141 Ca 0.01 -0.24 -0.15 0.00 -0.02 0.00 0.00 56.01 55.61 2ju5 n LEU 141 Cb 0.42 -0.11 0.08 0.00 -1.62 0.00 0.00 43.42 42.19 2ju5 n LEU 141 CO 0.46 0.17 0.11 0.29 -1.22 0.00 0.00 177.39 177.20 2ju5 n LYS 142 N -0.56 -5.80 -3.48 3.23 4.76 -0.31 -4.99 118.16 111.01 2ju5 n LYS 142 Ca 0.15 0.72 -0.38 0.00 -2.87 0.00 0.00 58.31 55.93 2ju5 n LYS 142 Cb 0.32 -5.36 -0.09 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 -5.80 4.11 0.00 -0.35 1.02 -0.36 -5.05 118.68 112.26 2ju5 s LEU 143 Ca 0.07 0.32 0.07 0.00 0.02 0.00 0.00 54.13 54.62 2ju5 s LEU 143 Cb -0.03 -2.35 0.06 0.00 0.02 0.00 0.00 46.19 43.88 2ju5 s LEU 143 CO 0.62 -0.05 0.74 -2.11 0.02 0.00 0.00 176.35 175.56