#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 n ARG 2 N 0.00 -2.58 -0.20 0.00 1.74 -1.26 -4.82 116.66 109.54 2ju5 n ARG 2 Ca 0.00 0.31 -0.05 0.00 -0.77 0.00 0.00 57.85 57.34 2ju5 n ARG 2 Cb 0.00 -4.83 0.05 0.00 -1.02 0.00 0.00 32.46 26.66 2ju5 n ARG 2 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2ju5 h ARG 3 N -1.46 0.71 -6.83 5.56 2.43 -2.12 -3.42 114.38 109.25 2ju5 h ARG 3 Ca -0.60 -0.04 -0.49 0.00 -0.81 0.00 0.00 59.98 58.03 2ju5 h ARG 3 Cb 1.38 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2ju5 h ARG 3 CO 0.78 0.47 0.14 1.03 -1.51 0.00 0.00 179.97 180.87 2ju5 s ARG 4 N -6.13 3.90 0.28 0.20 0.52 -1.26 -5.01 118.95 111.44 2ju5 s ARG 4 Ca -0.13 0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 2ju5 s ARG 4 Cb 0.14 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 33.12 2ju5 s ARG 4 CO 0.75 0.02 1.54 0.00 0.02 0.00 0.00 175.30 177.64 2ju5 s ALA 5 N -2.23 3.70 0.16 2.13 0.00 -1.26 -4.99 121.76 119.27 2ju5 s ALA 5 Ca 0.53 1.50 -0.21 0.00 0.00 0.00 0.00 51.96 53.78 2ju5 s ALA 5 Cb -0.10 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.45 2ju5 s ALA 5 CO 0.25 -0.91 0.55 -1.54 0.00 0.00 0.00 175.76 174.11 2ju5 s SER 6 N 0.43 -0.44 -0.06 0.00 1.04 -1.26 -5.17 113.70 108.24 2ju5 s SER 6 Ca 0.62 -0.16 -0.31 0.00 0.48 0.00 0.00 55.95 56.58 2ju5 s SER 6 Cb -0.46 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.36 2ju5 s SER 6 CO 0.47 -0.97 1.35 -0.83 0.98 0.00 0.00 173.24 174.24 2ju5 s GLY 7 N -2.79 -0.34 0.19 7.32 0.00 -1.26 -5.02 107.32 105.42 2ju5 s GLY 7 Ca 0.03 0.53 -0.07 0.00 0.00 0.00 0.00 44.72 45.21 2ju5 s GLY 7 CO -0.11 2.61 1.62 0.83 0.00 0.00 0.00 173.10 178.06 2ju5 h GLU 8 N 2.00 0.93 -5.41 2.90 5.08 -2.07 -3.39 114.58 114.62 2ju5 h GLU 8 Ca -0.28 -0.35 -0.65 0.00 -1.00 0.00 0.00 59.36 57.08 2ju5 h GLU 8 Cb 1.19 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 2ju5 h GLU 8 CO 0.30 1.01 0.26 1.21 -1.00 0.00 0.00 179.01 180.78 2ju5 s ASN 9 N -6.69 6.30 0.40 1.42 2.47 -1.26 -5.03 114.94 112.54 2ju5 s ASN 9 Ca -0.11 -0.55 -0.25 0.00 0.42 0.00 0.00 52.86 52.37 2ju5 s ASN 9 Cb 0.13 -2.35 -0.08 0.00 -1.45 0.00 0.00 41.25 37.49 2ju5 s ASN 9 CO 0.85 -0.98 1.19 -0.76 -3.72 0.00 0.00 177.10 173.69 2ju5 s LEU 10 N 3.15 4.21 0.19 3.21 1.43 -1.26 -4.93 118.68 124.67 2ju5 s LEU 10 Ca 0.23 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 2ju5 s LEU 10 Cb -0.15 -3.98 0.11 0.00 0.03 0.00 0.00 46.19 42.19 2ju5 s LEU 10 CO 0.17 -0.70 1.76 1.56 0.23 0.00 0.00 176.35 179.37 2ju5 h GLN 11 N 2.68 0.99 -5.62 1.70 4.20 -1.96 -3.41 115.11 113.70 2ju5 h GLN 11 Ca -0.49 -0.16 -0.59 0.00 0.06 0.00 0.00 58.65 57.47 2ju5 h GLN 11 Cb 1.24 -0.17 -0.10 0.00 0.30 0.00 0.00 27.48 28.75 2ju5 h GLN 11 CO 0.63 0.80 -0.04 -0.65 -0.67 0.00 0.00 178.83 178.91 2ju5 s GLN 12 N -5.62 4.24 0.09 1.46 -0.21 -1.26 -5.03 119.66 113.32 2ju5 s GLN 12 Ca -0.13 0.47 -0.31 0.00 0.02 0.00 0.00 55.36 55.41 2ju5 s GLN 12 Cb 0.14 -3.53 -0.07 0.00 1.00 0.00 0.00 33.01 30.55 2ju5 s GLN 12 CO 0.81 -0.08 1.37 0.99 -2.12 0.00 0.00 175.29 176.25 2ju5 s THR 13 N 1.41 3.46 -0.41 -0.19 2.01 -1.26 -4.94 115.64 115.71 2ju5 s THR 13 Ca 0.26 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.27 2ju5 s THR 13 Cb -0.15 -3.65 0.22 0.00 0.01 0.00 0.00 72.50 68.92 2ju5 s THR 13 CO 0.10 0.07 0.98 -1.14 -0.69 0.00 0.00 174.62 173.93 2ju5 n ARG 14 N 4.18 0.31 -1.78 4.92 0.63 -1.26 -5.16 116.66 118.50 2ju5 n ARG 14 Ca 0.11 -1.28 -0.40 0.00 -0.92 0.00 0.00 57.85 55.37 2ju5 n ARG 14 Cb 0.43 -0.58 0.02 0.00 0.45 0.00 0.00 32.46 32.77 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 0.82 3.71 0.14 -0.14 0.02 -1.26 -4.93 135.00 133.35 2ju5 s PRO 15 Ca 0.27 2.45 -0.14 0.00 0.02 0.00 0.00 61.00 63.60 2ju5 s PRO 15 Cb 0.10 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.96 2ju5 s PRO 15 CO -0.10 -0.81 1.65 0.82 -0.33 0.00 0.00 177.00 178.23 2ju5 h ILE 16 N 2.35 1.23 -6.05 2.83 2.04 -2.04 -3.48 117.51 114.40 2ju5 h ILE 16 Ca -0.51 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2ju5 h ILE 16 Cb 1.26 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2ju5 h ILE 16 CO 0.61 0.29 -0.19 0.00 0.00 0.00 0.00 178.15 178.86 2ju5 n ALA 17 N -2.37 -1.31 -1.74 1.87 0.00 -1.26 -4.80 120.51 110.90 2ju5 n ALA 17 Ca 0.01 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2ju5 n ALA 17 Cb 0.21 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 2.42 1.71 -1.31 0.00 0.00 -1.26 -4.93 120.51 117.14 2ju5 n ALA 18 Ca -0.04 0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.68 2ju5 n ALA 18 Cb 0.08 -2.35 0.15 0.00 0.00 0.00 0.00 19.45 17.33 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 -0.56 2.64 -4.32 0.00 0.00 -1.26 -5.05 120.51 111.97 2ju5 n ALA 19 Ca 0.08 -2.72 -0.23 0.00 0.00 0.00 0.00 53.44 50.57 2ju5 n ALA 19 Cb 0.42 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 2ju5 n ALA 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ju5 n ASN 20 N -1.21 1.27 -4.75 0.00 6.94 -1.26 -5.11 115.26 111.14 2ju5 n ASN 20 Ca 0.16 -2.80 -0.40 0.00 -0.02 0.00 0.00 54.58 51.51 2ju5 n ASN 20 Cb 0.67 0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 38.88 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2ju5 s LEU 21 N 0.00 4.55 -0.42 -4.53 2.96 -1.26 -5.02 118.68 114.97 2ju5 s LEU 21 Ca 0.16 2.11 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 2ju5 s LEU 21 Cb 0.01 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.13 2ju5 s LEU 21 CO 0.12 -0.09 0.29 -1.10 -1.32 0.00 0.00 176.35 174.24 2ju5 s GLN 22 N -0.94 2.84 0.22 1.98 -0.21 -1.26 -5.07 119.66 117.23 2ju5 s GLN 22 Ca 0.45 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 2ju5 s GLN 22 Cb -0.29 -3.90 -0.08 0.00 1.00 0.00 0.00 33.01 29.74 2ju5 s GLN 22 CO 0.36 -0.85 0.98 -1.58 -2.12 0.00 0.00 175.29 172.08 2ju5 s TRP 23 N 1.57 3.86 0.25 0.91 0.51 -1.26 -4.51 118.94 120.27 2ju5 s TRP 23 Ca 0.03 1.84 0.12 0.00 -2.12 0.00 0.00 56.10 55.97 2ju5 s TRP 23 Cb -0.21 -3.07 -0.05 0.00 -0.81 0.00 0.00 33.47 29.33 2ju5 s TRP 23 CO 0.06 0.17 -0.21 -1.21 -0.51 0.00 0.00 176.95 175.25 2ju5 s GLU 24 N -0.96 1.61 0.69 4.98 2.02 -0.20 -5.03 118.70 121.81 2ju5 s GLU 24 Ca 0.43 -1.68 -0.11 0.00 0.02 0.00 0.00 54.97 53.63 2ju5 s GLU 24 Cb -0.27 -1.75 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2ju5 s GLU 24 CO 0.33 0.34 1.06 -1.54 0.02 0.00 0.00 175.26 175.47 2ju5 s SER 25 N -3.24 5.44 0.19 -0.19 1.04 -1.26 -4.27 113.70 111.41 2ju5 s SER 25 Ca 0.27 1.56 -0.11 0.00 0.48 0.00 0.00 55.95 58.15 2ju5 s SER 25 Cb -0.06 -2.45 0.12 0.00 0.10 0.00 0.00 66.02 63.74 2ju5 s SER 25 CO 0.13 -1.40 1.81 0.22 0.98 0.00 0.00 173.24 174.98 2ju5 h TYR 26 N -0.69 0.95 -0.50 5.02 3.20 -1.94 0.16 116.97 123.17 2ju5 h TYR 26 Ca -0.44 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.29 2ju5 h TYR 26 Cb 1.21 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2ju5 h TYR 26 CO 0.61 0.67 -0.15 0.00 -1.64 0.00 0.00 178.16 177.66 2ju5 h ALA 27 N 1.19 0.79 -0.47 1.82 0.00 -2.01 -2.87 119.26 117.71 2ju5 h ALA 27 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2ju5 h ALA 27 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 27 CO -0.04 0.66 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 2ju5 h GLU 28 N 0.86 0.88 -0.41 0.00 5.08 -1.79 -2.99 114.58 116.20 2ju5 h GLU 28 Ca 0.13 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2ju5 h GLU 28 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2ju5 h GLU 28 CO 0.05 0.96 0.27 0.00 -1.00 0.00 0.00 179.01 179.29 2ju5 h ALA 29 N 1.06 0.52 -0.60 3.43 0.00 -0.52 -2.64 119.26 120.52 2ju5 h ALA 29 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ju5 h ALA 29 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ju5 h ALA 29 CO 0.05 -0.03 0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2ju5 h LEU 30 N 0.55 0.89 -0.87 0.00 3.38 -1.44 0.40 115.31 118.21 2ju5 h LEU 30 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ju5 h LEU 30 Cb -0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2ju5 h LEU 30 CO -0.04 0.88 0.49 -0.33 0.09 0.00 0.00 178.44 179.53 2ju5 h GLU 31 N 0.86 1.21 -0.24 1.13 5.08 -1.39 0.18 114.58 121.40 2ju5 h GLU 31 Ca 0.19 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2ju5 h GLU 31 Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ju5 h GLU 31 CO -0.00 0.88 -0.02 0.45 -1.00 0.00 0.00 179.01 179.31 2ju5 h HIS 32 N 1.22 0.48 -0.58 4.33 3.86 -1.19 -3.06 115.15 120.21 2ju5 h HIS 32 Ca 0.31 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2ju5 h HIS 32 Cb 0.00 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 2ju5 h HIS 32 CO 0.01 0.63 0.22 0.77 0.86 0.00 0.00 177.93 180.42 2ju5 h SER 33 N 0.20 0.78 -0.19 2.45 0.02 -0.33 2.23 113.55 118.71 2ju5 h SER 33 Ca 0.07 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2ju5 h SER 33 Cb 0.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2ju5 h SER 33 CO 0.02 0.71 0.13 0.11 -1.14 0.00 0.00 176.83 176.66 2ju5 h LYS 34 N 0.84 0.08 0.01 3.45 1.57 -0.60 1.52 116.57 123.44 2ju5 h LYS 34 Ca 0.20 -0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.58 2ju5 h LYS 34 Cb 0.19 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2ju5 h LYS 34 CO -0.02 0.05 -2.43 1.04 -0.57 0.00 0.00 179.45 177.53 2ju5 n GLN 35 N -4.50 0.65 0.05 3.15 6.02 -0.38 -4.58 117.38 117.79 2ju5 n GLN 35 Ca 0.01 0.18 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2ju5 n GLN 35 Cb 0.21 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 -3.41 0.55 -0.33 1.08 8.00 0.74 -4.98 116.55 118.20 2ju5 n ASP 36 Ca -0.46 0.05 -0.04 0.00 0.71 0.00 0.00 54.79 55.05 2ju5 n ASP 36 Cb 0.98 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 43.02 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 -2.31 0.00 -2.80 1.24 8.25 0.52 -4.96 115.22 115.16 2ju5 n HIS 37 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 2ju5 n HIS 37 Cb 0.51 -1.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.13 2ju5 n HIS 37 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ju5 s LYS 38 N -1.79 4.68 0.66 -0.41 -0.14 -1.26 -4.90 119.74 116.59 2ju5 s LYS 38 Ca 0.00 1.36 -0.15 0.00 -1.36 0.00 0.00 55.97 55.83 2ju5 s LYS 38 Cb 0.00 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.11 2ju5 s LYS 38 CO 0.00 0.41 1.10 -1.25 -0.76 0.00 0.00 175.35 174.85 2ju5 s PRO 39 N -1.62 2.82 -0.13 -1.68 0.04 -1.26 -4.60 135.00 128.58 2ju5 s PRO 39 Ca 0.45 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2ju5 s PRO 39 Cb -0.22 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2ju5 s PRO 39 CO 0.27 -1.22 -0.07 0.42 0.04 0.00 0.00 177.00 176.44 2ju5 s ILE 40 N -2.43 3.60 -0.28 0.56 1.01 0.29 -2.34 121.20 121.60 2ju5 s ILE 40 Ca 0.66 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2ju5 s ILE 40 Cb -0.19 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2ju5 s ILE 40 CO 0.43 0.53 0.08 -0.83 0.00 0.00 0.00 174.94 175.14 2ju5 s GLY 41 N 0.06 1.78 -0.26 6.18 0.00 -0.25 -1.16 107.32 113.67 2ju5 s GLY 41 Ca -0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 44.72 43.21 2ju5 s GLY 41 CO 0.03 0.61 0.33 1.08 0.00 0.00 0.00 173.10 175.16 2ju5 s LEU 42 N 1.54 4.06 -0.48 0.66 1.02 -0.98 -1.01 118.68 123.48 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 43.73 2ju5 s LEU 42 CO 0.03 -0.13 0.59 0.12 0.02 0.00 0.00 176.35 176.98 2ju5 s PHE 43 N 1.83 3.08 -0.23 0.29 5.36 -0.01 -3.07 117.98 125.23 2ju5 s PHE 43 Ca 0.14 -0.47 -0.13 0.00 -0.96 0.00 0.00 56.93 55.51 2ju5 s PHE 43 Cb -0.15 -3.40 -0.04 0.00 -0.34 0.00 0.00 43.02 39.08 2ju5 s PHE 43 CO 0.09 -0.95 0.28 -0.06 -1.46 0.00 0.00 175.22 173.12 2ju5 s PHE 44 N 2.53 3.32 0.20 10.12 0.40 -0.97 -0.82 117.98 132.77 2ju5 s PHE 44 Ca 0.15 0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.81 2ju5 s PHE 44 Cb -0.18 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 40.96 2ju5 s PHE 44 CO 0.13 -0.02 0.36 0.25 0.70 0.00 0.00 175.22 176.64 2ju5 n THR 45 N 4.47 0.00 -3.67 0.64 -2.24 -1.00 -2.80 114.28 109.68 2ju5 n THR 45 Ca -0.12 -0.73 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 2ju5 n THR 45 Cb 0.51 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 2ju5 n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 46 N -2.15 1.69 0.39 3.38 0.00 -1.26 -0.84 107.32 108.52 2ju5 s GLY 46 Ca 0.12 -2.66 0.12 0.00 0.00 0.00 0.00 44.72 42.30 2ju5 s GLY 46 CO 0.09 1.61 1.89 1.76 0.00 0.00 0.00 173.10 178.45 2ju5 h SER 47 N 6.45 0.53 -0.01 1.64 0.02 -1.87 -1.54 113.55 118.76 2ju5 h SER 47 Ca 0.05 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2ju5 h SER 47 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.48 0.27 -0.29 0.47 -1.14 0.00 0.00 176.83 176.61 2ju5 n ASP 48 N -4.52 1.86 0.00 3.07 8.00 -1.26 -4.75 116.55 118.95 2ju5 n ASP 48 Ca 0.16 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2ju5 n ASP 48 Cb 0.51 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N 0.12 0.00 -3.86 1.24 4.27 -1.11 -4.86 117.44 113.25 2ju5 n TRP 49 Ca 0.08 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.36 2ju5 n TRP 49 Cb 0.38 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.28 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 0.85 1.17 0.26 0.00 1.56 -1.26 -4.31 117.12 115.39 2ju5 n MET 51 Ca -0.10 0.04 0.09 0.00 -0.27 0.00 0.00 57.70 57.46 2ju5 n MET 51 Cb 0.52 -1.38 0.68 0.00 2.15 0.00 0.00 33.22 35.20 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 -0.42 1.12 6.55 -1.95 -0.52 115.95 120.73 2ju5 h TRP 52 Ca -0.41 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.35 2ju5 h TRP 52 Cb 1.80 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.09 2ju5 h TRP 52 CO 0.01 0.04 -0.08 0.00 -1.05 0.00 0.00 178.44 177.36 2ju5 h ILE 54 N 0.63 1.16 -0.29 0.00 2.04 -1.33 0.24 117.51 119.96 2ju5 h ILE 54 Ca 0.11 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2ju5 h ILE 54 Cb 0.60 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2ju5 h ILE 54 CO 0.04 0.17 0.17 0.11 0.00 0.00 0.00 178.15 178.64 2ju5 h LYS 55 N 0.58 0.39 -0.44 2.37 1.79 -0.93 2.24 116.57 122.57 2ju5 h LYS 55 Ca 0.16 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2ju5 h LYS 55 Cb 0.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2ju5 h LYS 55 CO -0.02 0.31 0.22 1.98 -1.08 0.00 0.00 179.45 180.85 2ju5 h MET 56 N 0.36 0.63 -0.05 3.15 4.05 -0.59 0.56 114.93 123.05 2ju5 h MET 56 Ca 0.10 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2ju5 h MET 56 Cb 0.02 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2ju5 h MET 56 CO -0.02 0.53 0.00 0.37 0.23 0.00 0.00 176.91 178.02 2ju5 h GLN 57 N 0.57 0.08 -0.30 0.39 4.15 -0.12 0.36 115.11 120.23 2ju5 h GLN 57 Ca 0.15 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 2ju5 h GLN 57 Cb 0.10 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2ju5 h GLN 57 CO -0.02 0.36 -0.38 0.22 -1.93 0.00 0.00 178.83 177.07 2ju5 h ASP 58 N -0.21 0.75 0.63 -0.69 1.82 0.39 -0.20 116.42 118.92 2ju5 h ASP 58 Ca 0.01 -0.33 -0.22 0.00 -0.39 0.00 0.00 57.03 56.10 2ju5 h ASP 58 Cb 0.32 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 2ju5 h ASP 58 CO 0.00 1.05 -1.51 1.56 -1.61 0.00 0.00 179.24 178.73 2ju5 h GLN 59 N 0.59 0.00 0.00 0.28 4.20 0.12 -3.39 115.11 116.90 2ju5 h GLN 59 Ca 0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 59 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2ju5 h GLN 59 CO 0.08 0.38 -0.78 -0.89 -0.67 0.00 0.00 178.83 176.95 2ju5 n ILE 60 N -2.96 0.92 -0.31 2.54 5.41 0.12 -3.41 119.36 121.67 2ju5 n ILE 60 Ca -0.12 0.14 -0.04 0.00 1.00 0.00 0.00 62.75 63.72 2ju5 n ILE 60 Cb 0.92 -1.71 0.08 0.00 -0.71 0.00 0.00 39.64 38.22 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 -0.28 1.05 -0.75 1.39 -0.00 -1.23 -2.16 115.31 113.34 2ju5 h LEU 61 Ca -0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2ju5 h LEU 61 Cb 0.67 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2ju5 h LEU 61 CO -0.05 0.85 0.00 0.00 -0.00 0.00 0.00 178.44 179.23 2ju5 n GLN 62 N -4.38 1.52 -2.63 1.13 6.02 -0.11 -4.30 117.38 114.63 2ju5 n GLN 62 Ca 0.09 -0.75 -0.33 0.00 -0.01 0.00 0.00 57.00 55.99 2ju5 n GLN 62 Cb 0.09 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 2ju5 n GLN 62 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ju5 s SER 63 N -1.97 6.62 0.19 1.08 0.15 -0.81 -4.93 113.70 114.02 2ju5 s SER 63 Ca 0.40 1.77 -0.13 0.00 0.70 0.00 0.00 55.95 58.69 2ju5 s SER 63 Cb 0.21 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 2ju5 s SER 63 CO 0.34 -0.59 1.85 0.28 1.20 0.00 0.00 173.24 176.32 2ju5 h SER 64 N 1.58 0.69 -0.53 5.45 0.02 -1.91 -1.92 113.55 116.93 2ju5 h SER 64 Ca -0.49 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2ju5 h SER 64 Cb 1.20 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2ju5 h SER 64 CO 0.60 0.49 0.21 -0.33 -1.14 0.00 0.00 176.83 176.66 2ju5 h GLU 65 N 0.81 0.79 -0.40 3.45 4.39 -1.91 -1.30 114.58 120.43 2ju5 h GLU 65 Ca 0.23 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 2ju5 h GLU 65 Cb -0.07 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2ju5 h GLU 65 CO -0.06 0.70 -0.26 0.35 -1.16 0.00 0.00 179.01 178.58 2ju5 h PHE 66 N 0.72 1.03 -0.48 4.33 3.57 -1.74 -1.30 116.94 123.07 2ju5 h PHE 66 Ca 0.18 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 2ju5 h PHE 66 Cb 0.20 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2ju5 h PHE 66 CO 0.01 1.07 0.29 0.87 -2.23 0.00 0.00 178.31 178.32 2ju5 h LYS 67 N 0.69 0.65 -0.30 1.11 1.57 -1.22 0.72 116.57 119.80 2ju5 h LYS 67 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2ju5 h LYS 67 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2ju5 h LYS 67 CO 0.07 0.48 -0.04 1.25 -0.57 0.00 0.00 179.45 180.65 2ju5 h HIS 68 N 0.64 0.62 -0.09 -1.35 2.76 -1.19 0.11 115.15 116.65 2ju5 h HIS 68 Ca 0.17 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2ju5 h HIS 68 Cb -0.00 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 2ju5 h HIS 68 CO -0.03 0.72 0.05 0.35 -1.30 0.00 0.00 177.93 177.72 2ju5 h PHE 69 N 0.34 0.13 -0.37 5.26 3.57 -0.90 -2.28 116.94 122.69 2ju5 h PHE 69 Ca 0.08 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2ju5 h PHE 69 Cb 0.50 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2ju5 h PHE 69 CO 0.04 0.19 -0.20 0.00 -2.23 0.00 0.00 178.31 176.11 2ju5 h ALA 70 N 0.93 0.95 -0.48 2.41 0.00 0.52 0.55 119.26 124.14 2ju5 h ALA 70 Ca 0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2ju5 h ALA 70 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ju5 h ALA 70 CO -0.00 0.61 0.02 0.78 0.00 0.00 0.00 179.25 180.66 2ju5 h GLY 71 N 0.98 0.83 0.45 0.00 0.00 -0.69 0.13 103.07 104.77 2ju5 h GLY 71 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 2ju5 h GLY 71 CO 0.05 0.50 -1.07 -2.08 0.00 0.00 0.00 176.54 173.94 2ju5 h VAL 72 N 0.73 1.23 -0.01 4.60 2.07 -1.19 -3.41 116.25 120.26 2ju5 h VAL 72 Ca 0.15 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.27 2ju5 h VAL 72 Cb 0.41 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2ju5 h VAL 72 CO 0.01 0.65 -0.30 1.41 0.02 0.00 0.00 177.57 179.36 2ju5 n HIS 73 N -4.12 0.00 -4.17 1.57 -0.00 0.19 -5.07 115.22 103.62 2ju5 n HIS 73 Ca -0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.40 2ju5 n HIS 73 Cb 0.80 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.69 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 -1.90 1.55 -0.19 2.41 1.02 0.47 -4.42 118.68 117.62 2ju5 s LEU 74 Ca 0.10 -1.27 -0.02 0.00 0.02 0.00 0.00 54.13 52.96 2ju5 s LEU 74 Cb 0.11 0.32 -0.01 0.00 0.02 0.00 0.00 46.19 46.63 2ju5 s LEU 74 CO 0.35 -0.77 -0.08 -1.00 0.02 0.00 0.00 176.35 174.87 2ju5 s HIS 75 N -4.08 2.91 -0.13 0.29 3.76 -0.99 -4.54 115.29 112.50 2ju5 s HIS 75 Ca 0.29 -0.86 -0.06 0.00 -0.15 0.00 0.00 55.06 54.29 2ju5 s HIS 75 Cb 0.07 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2ju5 s HIS 75 CO 0.05 -0.43 0.08 -1.64 -0.85 0.00 0.00 174.74 171.95 2ju5 s MET 76 N 1.05 3.51 -0.07 1.40 1.00 -1.26 -1.09 119.30 123.84 2ju5 s MET 76 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 55.69 55.44 2ju5 s MET 76 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 34.83 31.60 2ju5 s MET 76 CO -0.01 0.59 -0.15 0.08 0.00 0.00 0.00 175.02 175.52 2ju5 s VAL 77 N -0.51 1.38 -0.21 -6.03 1.01 -0.18 -1.03 120.40 114.82 2ju5 s VAL 77 Ca 0.11 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 2ju5 s VAL 77 Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2ju5 s VAL 77 CO 0.02 0.41 0.24 -0.70 0.00 0.00 0.00 175.10 175.07 2ju5 s GLU 78 N 0.51 4.15 -0.33 2.72 2.12 -1.26 -0.83 118.70 125.77 2ju5 s GLU 78 Ca -0.14 -0.08 -0.00 0.00 0.36 0.00 0.00 54.97 55.10 2ju5 s GLU 78 Cb -0.16 -3.50 0.11 0.00 0.26 0.00 0.00 34.13 30.84 2ju5 s GLU 78 CO 0.05 0.10 0.13 0.08 -0.54 0.00 0.00 175.26 175.07 2ju5 s VAL 79 N 0.93 0.87 0.08 3.70 1.01 0.00 -4.91 120.40 122.08 2ju5 s VAL 79 Ca 0.12 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 60.59 2ju5 s VAL 79 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2ju5 s VAL 79 CO 0.04 -0.73 0.00 -1.81 0.00 0.00 0.00 175.10 172.61 2ju5 s ASP 80 N 1.43 5.04 -0.60 3.32 1.01 -1.26 -2.38 116.67 123.23 2ju5 s ASP 80 Ca 0.11 -0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.27 2ju5 s ASP 80 Cb -0.19 -1.21 0.21 0.00 1.01 0.00 0.00 42.92 42.74 2ju5 s ASP 80 CO -0.21 0.18 0.55 0.49 0.21 0.00 0.00 175.17 176.40 2ju5 n PHE 81 N 0.62 2.22 -1.60 4.23 3.01 -0.02 -4.95 117.46 120.97 2ju5 n PHE 81 Ca -0.11 -4.00 -0.31 0.00 1.01 0.00 0.00 57.45 54.04 2ju5 n PHE 81 Cb 0.52 -0.42 0.06 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.51 2.74 0.09 -1.08 0.04 -1.26 -4.45 135.00 129.58 2ju5 s PRO 82 Ca 0.32 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2ju5 s PRO 82 Cb 0.06 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 2ju5 s PRO 82 CO -0.12 -1.21 1.35 1.96 0.04 0.00 0.00 177.00 179.02 2ju5 h GLN 83 N -0.79 0.72 -4.27 4.56 4.20 -1.96 -3.37 115.11 114.20 2ju5 h GLN 83 Ca -0.45 -0.48 -0.74 0.00 0.06 0.00 0.00 58.65 57.04 2ju5 h GLN 83 Cb 1.23 0.07 -0.23 0.00 0.30 0.00 0.00 27.48 28.85 2ju5 h GLN 83 CO 0.58 1.11 -0.16 0.21 -0.67 0.00 0.00 178.83 179.89 2ju5 s LYS 84 N -4.02 3.00 -0.11 1.46 2.20 -1.26 -5.03 119.74 115.98 2ju5 s LYS 84 Ca -0.12 -1.55 -0.20 0.00 -0.36 0.00 0.00 55.97 53.75 2ju5 s LYS 84 Cb 0.08 -4.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 2ju5 s LYS 84 CO 0.86 -1.32 0.55 -0.80 -0.36 0.00 0.00 175.35 174.28 2ju5 s ASN 85 N 3.42 6.77 -0.01 1.43 0.01 -1.26 -4.92 114.94 120.37 2ju5 s ASN 85 Ca 0.05 0.92 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 2ju5 s ASN 85 Cb -0.28 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.09 2ju5 s ASN 85 CO 0.05 -0.05 0.87 1.41 -1.51 0.00 0.00 177.10 177.86 2ju5 n HIS 86 N 3.81 0.00 -2.93 2.20 8.25 -1.26 -5.09 115.22 120.21 2ju5 n HIS 86 Ca -0.05 -0.12 -0.33 0.00 -0.26 0.00 0.00 57.72 56.96 2ju5 n HIS 86 Cb 0.51 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 2ju5 n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ju5 s GLN 87 N -0.31 4.16 0.69 -0.41 -0.21 -1.26 -5.04 119.66 117.28 2ju5 s GLN 87 Ca 0.03 0.97 -0.15 0.00 0.02 0.00 0.00 55.36 56.23 2ju5 s GLN 87 Cb 0.03 -2.29 0.02 0.00 1.00 0.00 0.00 33.01 31.76 2ju5 s GLN 87 CO 0.00 0.05 1.15 -1.25 -2.12 0.00 0.00 175.29 173.12 2ju5 s PRO 88 N -3.07 2.50 0.20 2.91 0.04 -1.26 -4.76 135.00 131.56 2ju5 s PRO 88 Ca 0.59 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2ju5 s PRO 88 Cb -0.10 -1.90 0.24 0.00 0.04 0.00 0.00 34.50 32.79 2ju5 s PRO 88 CO 0.15 -1.51 1.68 0.93 0.04 0.00 0.00 177.00 178.29 2ju5 h GLU 89 N -0.14 0.13 -0.99 4.56 4.39 -1.99 -0.82 114.58 119.73 2ju5 h GLU 89 Ca -0.47 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.28 2ju5 h GLU 89 Cb 1.27 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 2ju5 h GLU 89 CO 0.52 0.09 0.64 0.93 -1.16 0.00 0.00 179.01 180.03 2ju5 h GLU 90 N 0.14 1.13 -0.27 2.33 5.08 -2.00 -0.39 114.58 120.61 2ju5 h GLU 90 Ca 0.29 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.40 2ju5 h GLU 90 Cb 0.44 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ju5 h GLU 90 CO -0.45 0.75 -0.52 0.37 -1.00 0.00 0.00 179.01 178.15 2ju5 h GLN 91 N 1.17 0.78 -0.56 2.33 4.15 -1.68 -2.36 115.11 118.95 2ju5 h GLN 91 Ca 0.42 -0.48 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2ju5 h GLN 91 Cb 0.15 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2ju5 h GLN 91 CO -0.17 1.11 0.10 0.00 -1.93 0.00 0.00 178.83 177.94 2ju5 h ARG 92 N 0.61 0.91 -0.42 1.69 3.08 -0.46 -0.67 114.38 119.12 2ju5 h ARG 92 Ca 0.02 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2ju5 h ARG 92 Cb 1.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2ju5 h ARG 92 CO 0.11 0.87 0.14 1.96 -1.07 0.00 0.00 179.97 181.99 2ju5 h GLN 93 N 0.81 0.64 -0.19 0.04 4.20 -1.06 -1.78 115.11 117.77 2ju5 h GLN 93 Ca 0.17 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ju5 h GLN 93 Cb 0.39 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2ju5 h GLN 93 CO 0.01 0.62 0.10 -0.22 -0.67 0.00 0.00 178.83 178.67 2ju5 h LYS 94 N 0.53 0.27 -0.92 1.46 3.64 -1.25 -1.44 116.57 118.85 2ju5 h LYS 94 Ca 0.14 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2ju5 h LYS 94 Cb 0.24 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 2ju5 h LYS 94 CO -0.01 0.27 0.60 -0.91 -2.27 0.00 0.00 179.45 177.13 2ju5 h ASN 95 N 0.19 1.07 -0.50 4.20 -0.26 -1.03 0.26 115.58 119.52 2ju5 h ASN 95 Ca 0.07 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 2ju5 h ASN 95 Cb 0.09 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 2ju5 h ASN 95 CO -0.01 0.79 -0.00 1.56 -1.06 0.00 0.00 177.43 178.71 2ju5 h GLN 96 N 1.26 0.94 -0.59 0.81 4.20 -1.13 -0.03 115.11 120.57 2ju5 h GLN 96 Ca 0.34 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2ju5 h GLN 96 Cb -0.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2ju5 h GLN 96 CO -0.07 0.93 0.13 1.49 -0.67 0.00 0.00 178.83 180.64 2ju5 h GLU 97 N 0.87 0.95 -0.59 1.46 4.81 -0.50 -2.36 114.58 119.21 2ju5 h GLU 97 Ca 0.16 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2ju5 h GLU 97 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2ju5 h GLU 97 CO 0.03 0.88 0.11 1.25 -0.73 0.00 0.00 179.01 180.55 2ju5 h LEU 98 N 0.85 0.93 -1.15 1.64 5.85 -0.62 0.21 115.31 123.02 2ju5 h LEU 98 Ca 0.18 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2ju5 h LEU 98 Cb 0.37 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2ju5 h LEU 98 CO 0.00 0.94 0.58 0.50 -0.34 0.00 0.00 178.44 180.13 2ju5 h LYS 99 N 0.87 1.09 0.06 1.25 3.64 -0.78 -1.52 116.57 121.18 2ju5 h LYS 99 Ca 0.18 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 2ju5 h LYS 99 Cb 0.40 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2ju5 h LYS 99 CO 0.01 0.72 -1.10 0.00 -2.27 0.00 0.00 179.45 176.81 2ju5 h ALA 100 N 1.48 0.17 -0.21 5.00 0.00 -1.09 0.93 119.26 125.54 2ju5 h ALA 100 Ca 0.35 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2ju5 h ALA 100 Cb -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2ju5 h ALA 100 CO -0.10 0.78 -0.05 0.37 0.00 0.00 0.00 179.25 180.25 2ju5 h GLN 101 N 0.25 0.00 -0.64 0.00 4.15 0.36 -1.92 115.11 117.31 2ju5 h GLN 101 Ca -0.13 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 101 Cb 1.76 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.45 2ju5 h GLN 101 CO 0.20 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.76 2ju5 n TYR 102 N -5.20 1.13 -3.84 3.99 4.01 -0.69 -4.92 117.16 111.64 2ju5 n TYR 102 Ca -0.02 -0.43 -0.25 0.00 -0.16 0.00 0.00 57.90 57.04 2ju5 n TYR 102 Cb 0.13 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.62 -3.49 -3.10 -0.72 5.02 -0.72 -4.91 118.16 110.85 2ju5 n LYS 103 Ca 0.18 0.47 -0.40 0.00 -2.02 0.00 0.00 58.31 56.54 2ju5 n LYS 103 Cb 0.71 -4.67 -0.06 0.00 -0.02 0.00 0.00 35.03 31.00 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 -3.82 5.01 -0.03 -0.18 1.01 0.31 -4.89 120.40 117.81 2ju5 s VAL 104 Ca 0.06 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2ju5 s VAL 104 Cb -0.02 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2ju5 s VAL 104 CO 0.86 0.09 -0.04 0.35 0.00 0.00 0.00 175.10 176.37 2ju5 n THR 105 N 4.78 0.17 -4.04 3.92 -2.24 -1.26 -4.79 114.28 110.82 2ju5 n THR 105 Ca -0.01 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 2ju5 n THR 105 Cb 0.49 -1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.32 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 -4.89 2.04 0.11 3.38 0.00 -1.26 -5.12 107.32 101.57 2ju5 s GLY 106 Ca -0.04 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.78 2ju5 s GLY 106 CO 0.06 -0.94 -0.18 -0.11 0.00 0.00 0.00 173.10 171.93 2ju5 s PHE 107 N -1.37 1.63 0.26 1.90 -0.12 -1.26 -3.96 117.98 115.06 2ju5 s PHE 107 Ca 0.29 -0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 2ju5 s PHE 107 Cb -0.12 -0.88 -0.09 0.00 -0.63 0.00 0.00 43.02 41.29 2ju5 s PHE 107 CO 0.21 0.18 1.00 -1.25 -0.05 0.00 0.00 175.22 175.31 2ju5 s PRO 108 N -2.06 4.76 -0.07 1.99 0.04 -1.26 -4.77 135.00 133.63 2ju5 s PRO 108 Ca 0.06 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2ju5 s PRO 108 Cb -0.09 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2ju5 s PRO 108 CO 0.04 0.39 -0.04 -2.00 0.04 0.00 0.00 177.00 175.43 2ju5 s GLU 109 N -1.34 0.94 -0.21 4.56 2.56 -1.12 -3.66 118.70 120.44 2ju5 s GLU 109 Ca 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 54.97 55.29 2ju5 s GLU 109 Cb -0.28 -1.06 -0.00 0.00 2.00 0.00 0.00 34.13 34.79 2ju5 s GLU 109 CO 0.35 -0.18 -0.07 -1.17 -0.56 0.00 0.00 175.26 173.62 2ju5 s LEU 110 N 1.41 2.78 -0.13 2.70 0.20 0.18 -2.29 118.68 123.52 2ju5 s LEU 110 Ca -0.03 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.37 2ju5 s LEU 110 Cb -0.13 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 2ju5 s LEU 110 CO -0.03 -0.01 -0.14 0.68 -0.29 0.00 0.00 176.35 176.56 2ju5 s VAL 111 N 1.41 2.89 -0.24 1.68 -7.23 -1.17 -0.45 120.40 117.29 2ju5 s VAL 111 Ca 0.05 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.39 2ju5 s VAL 111 Cb -0.14 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2ju5 s VAL 111 CO -0.04 0.52 0.22 -0.36 -0.31 0.00 0.00 175.10 175.13 2ju5 s PHE 112 N 0.44 3.32 0.14 2.82 0.08 0.64 -2.31 117.98 123.10 2ju5 s PHE 112 Ca -0.11 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.29 2ju5 s PHE 112 Cb -0.16 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2ju5 s PHE 112 CO 0.05 0.02 -0.11 0.96 -0.10 0.00 0.00 175.22 176.04 2ju5 s ILE 113 N 1.20 1.24 0.67 0.64 -4.36 -0.31 -0.46 121.20 119.82 2ju5 s ILE 113 Ca 0.10 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.52 2ju5 s ILE 113 Cb -0.14 -1.75 0.14 0.00 1.25 0.00 0.00 42.46 41.96 2ju5 s ILE 113 CO 0.06 -0.64 0.92 0.47 0.24 0.00 0.00 174.94 175.99 2ju5 n ASP 114 N 0.02 1.17 0.07 4.36 8.00 -0.03 0.10 116.55 130.24 2ju5 n ASP 114 Ca -0.12 -2.00 0.10 0.00 0.71 0.00 0.00 54.79 53.48 2ju5 n ASP 114 Cb 0.59 -0.60 0.42 0.00 -0.02 0.00 0.00 41.12 41.51 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ju5 n ALA 115 N -2.96 1.71 1.12 2.24 0.00 -1.26 -1.57 120.51 119.78 2ju5 n ALA 115 Ca -0.15 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2ju5 n ALA 115 Cb 0.54 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.92 1.87 -0.64 0.00 1.02 -1.26 -4.81 120.64 114.90 2ju5 n GLU 116 Ca 0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 2ju5 n GLU 116 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.65 3.77 0.62 0.00 -0.61 -5.04 105.19 105.90 2ju5 n GLY 117 Ca 0.14 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2ju5 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ju5 s LYS 118 N -0.69 4.64 -0.16 1.61 1.02 -1.26 -4.76 119.74 120.14 2ju5 s LYS 118 Ca 0.00 1.24 -0.26 0.00 0.02 0.00 0.00 55.97 56.97 2ju5 s LYS 118 Cb 0.00 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2ju5 s LYS 118 CO 0.00 0.52 0.88 -1.14 -0.92 0.00 0.00 175.35 174.69 2ju5 s GLN 119 N -1.01 4.32 -0.13 1.68 0.74 -1.26 -0.85 119.66 123.15 2ju5 s GLN 119 Ca 0.38 1.12 0.17 0.00 0.05 0.00 0.00 55.36 57.08 2ju5 s GLN 119 Cb -0.24 -3.57 -0.25 0.00 1.10 0.00 0.00 33.01 30.06 2ju5 s GLN 119 CO 0.27 -0.34 0.29 1.28 -0.55 0.00 0.00 175.29 176.24 2ju5 n LEU 120 N 5.25 0.23 -3.59 3.68 7.99 0.39 -4.99 117.00 125.96 2ju5 n LEU 120 Ca 0.06 0.11 0.01 0.00 -0.01 0.00 0.00 56.01 56.18 2ju5 n LEU 120 Cb 0.49 0.34 -0.01 0.00 -0.11 0.00 0.00 43.42 44.13 2ju5 n LEU 120 CO 0.49 0.39 1.14 0.00 -1.51 0.00 0.00 177.39 177.90 2ju5 s ALA 121 N -2.67 -2.34 -0.08 -1.18 0.00 -1.21 -4.60 121.76 109.68 2ju5 s ALA 121 Ca -0.08 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 2ju5 s ALA 121 Cb 0.08 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2ju5 s ALA 121 CO 0.84 -0.94 0.37 -0.98 0.00 0.00 0.00 175.76 175.05 2ju5 s ARG 122 N -2.19 0.57 0.10 0.00 1.70 -1.26 -0.26 118.95 117.60 2ju5 s ARG 122 Ca 0.14 0.20 -0.09 0.00 -0.47 0.00 0.00 55.73 55.51 2ju5 s ARG 122 Cb 0.05 0.27 -0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2ju5 s ARG 122 CO -0.05 -0.12 0.20 -1.64 -1.08 0.00 0.00 175.30 172.61 2ju5 s MET 123 N -0.53 0.89 0.00 3.89 -1.94 0.40 -5.00 119.30 117.01 2ju5 s MET 123 Ca -0.06 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 2ju5 s MET 123 Cb -0.04 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.15 2ju5 s MET 123 CO 0.03 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.16 2ju5 n GLY 124 N -0.09 5.20 3.70 -0.03 0.00 -1.26 0.47 105.19 113.19 2ju5 n GLY 124 Ca -0.14 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 3.32 3.55 -0.07 1.61 5.36 -1.24 -4.87 117.98 125.65 2ju5 s PHE 125 Ca 0.00 1.38 -0.06 0.00 -0.96 0.00 0.00 56.93 57.29 2ju5 s PHE 125 Cb 0.00 -2.96 0.02 0.00 -0.34 0.00 0.00 43.02 39.74 2ju5 s PHE 125 CO 0.00 -0.04 0.18 -1.21 -1.46 0.00 0.00 175.22 172.70 2ju5 s GLU 126 N 1.26 0.21 0.69 10.12 2.02 -1.26 -5.10 118.70 126.63 2ju5 s GLU 126 Ca 0.42 0.27 -0.12 0.00 0.02 0.00 0.00 54.97 55.56 2ju5 s GLU 126 Cb -0.18 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.14 2ju5 s GLU 126 CO 0.19 -0.04 1.07 -1.25 0.02 0.00 0.00 175.26 175.25 2ju5 s PRO 127 N 0.20 2.89 0.00 0.39 0.04 -1.26 -4.49 135.00 132.76 2ju5 s PRO 127 Ca -0.01 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2ju5 s PRO 127 Cb -0.02 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ju5 s PRO 127 CO -0.00 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.30 2ju5 n GLY 128 N -1.55 1.33 0.00 0.56 0.00 -1.26 -4.95 105.19 99.32 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 0.10 0.23 -0.02 0.00 -1.26 -4.34 105.19 99.90 2ju5 n GLY 129 Ca 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 0.81 0.96 -0.02 0.00 -1.86 -2.48 103.07 100.48 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 0.18 0.00 0.00 0.00 0.00 176.54 177.09 2ju5 h ALA 131 N 1.10 0.41 -0.57 3.60 0.00 -1.91 -2.69 119.26 119.20 2ju5 h ALA 131 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2ju5 h ALA 131 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2ju5 h ALA 131 CO -0.03 -0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.30 2ju5 h ALA 132 N 1.05 1.19 -0.78 0.00 0.00 -1.74 -2.87 119.26 116.11 2ju5 h ALA 132 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ju5 h ALA 132 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2ju5 h ALA 132 CO -0.02 0.56 0.41 -0.92 0.00 0.00 0.00 179.25 179.28 2ju5 h TYR 133 N 0.84 1.09 -0.53 0.00 3.20 -1.18 -2.60 116.97 117.78 2ju5 h TYR 133 Ca 0.19 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2ju5 h TYR 133 Cb 0.29 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2ju5 h TYR 133 CO 0.02 0.77 0.04 -0.39 -1.64 0.00 0.00 178.16 176.96 2ju5 h VAL 134 N 1.09 1.25 -0.69 1.81 -1.51 -1.27 -1.85 116.25 115.07 2ju5 h VAL 134 Ca 0.27 -1.00 0.04 0.00 -1.23 0.00 0.00 66.70 64.79 2ju5 h VAL 134 Cb 0.06 0.80 -0.05 0.00 -2.13 0.00 0.00 31.29 29.97 2ju5 h VAL 134 CO -0.04 0.36 0.41 -1.28 -1.23 0.00 0.00 177.57 175.79 2ju5 h SER 135 N 0.83 0.64 -0.45 4.19 0.87 -1.30 -0.67 113.55 117.65 2ju5 h SER 135 Ca 0.16 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2ju5 h SER 135 Cb 0.44 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2ju5 h SER 135 CO 0.02 0.43 0.06 0.11 -0.53 0.00 0.00 176.83 176.92 2ju5 h LYS 136 N 0.78 0.76 -0.61 2.24 1.57 -1.22 -2.08 116.57 118.01 2ju5 h LYS 136 Ca 0.29 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2ju5 h LYS 136 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2ju5 h LYS 136 CO -0.14 0.79 0.09 -0.24 -0.57 0.00 0.00 179.45 179.37 2ju5 h VAL 137 N 0.62 1.26 -0.66 0.50 3.04 -1.00 -1.32 116.25 118.69 2ju5 h VAL 137 Ca 0.14 -1.02 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2ju5 h VAL 137 Cb 0.41 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2ju5 h VAL 137 CO 0.01 0.37 0.39 0.11 -1.01 0.00 0.00 177.57 177.45 2ju5 h LYS 138 N 0.92 0.90 -0.59 4.17 1.57 -1.03 0.24 116.57 122.75 2ju5 h LYS 138 Ca 0.18 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2ju5 h LYS 138 Cb 0.44 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2ju5 h LYS 138 CO 0.01 0.65 -0.03 0.77 -0.57 0.00 0.00 179.45 180.29 2ju5 h SER 139 N 0.90 1.03 -0.54 0.86 0.02 -1.14 -0.57 113.55 114.11 2ju5 h SER 139 Ca 0.24 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2ju5 h SER 139 Cb -0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2ju5 h SER 139 CO -0.04 1.09 -0.00 0.00 -1.14 0.00 0.00 176.83 176.74 2ju5 h ALA 140 N 1.00 0.92 -0.01 3.77 0.00 -0.77 -2.87 119.26 121.31 2ju5 h ALA 140 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ju5 h ALA 140 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ju5 h ALA 140 CO 0.03 0.64 -0.14 1.28 0.00 0.00 0.00 179.25 181.07 2ju5 n LEU 141 N -4.18 1.14 -3.07 0.00 4.32 0.03 -4.71 117.00 110.53 2ju5 n LEU 141 Ca 0.03 -0.33 -0.15 0.00 -0.02 0.00 0.00 56.01 55.54 2ju5 n LEU 141 Cb 0.34 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.14 2ju5 n LEU 141 CO 0.43 0.20 0.10 0.29 -1.22 0.00 0.00 177.39 177.19 2ju5 n LYS 142 N -0.36 -5.68 -3.65 3.23 4.76 -0.35 -4.99 118.16 111.12 2ju5 n LYS 142 Ca 0.15 0.72 -0.37 0.00 -2.87 0.00 0.00 58.31 55.94 2ju5 n LYS 142 Cb 0.34 -5.37 -0.10 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 -5.73 4.03 0.00 -0.35 1.02 -0.43 -5.05 118.68 112.16 2ju5 s LEU 143 Ca 0.01 0.04 0.30 0.00 0.02 0.00 0.00 54.13 54.50 2ju5 s LEU 143 Cb -0.01 -2.10 1.43 0.00 0.02 0.00 0.00 46.19 45.53 2ju5 s LEU 143 CO 0.62 0.01 1.96 0.54 0.02 0.00 0.00 176.35 179.50