#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 3.63 -0.03 0.00 3.52 -1.26 -5.04 118.95 119.78 2ju5 s ARG 2 Ca 0.00 2.17 -0.07 0.00 -0.13 0.00 0.00 55.73 57.70 2ju5 s ARG 2 Cb 0.00 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.87 2ju5 s ARG 2 CO 0.00 -0.78 0.15 -0.98 -0.81 0.00 0.00 175.30 172.89 2ju5 s ARG 3 N -2.56 0.37 0.07 5.12 1.70 -1.26 -5.17 118.95 117.22 2ju5 s ARG 3 Ca 0.63 -0.12 0.01 0.00 -0.47 0.00 0.00 55.73 55.78 2ju5 s ARG 3 Cb -0.38 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.12 2ju5 s ARG 3 CO 0.48 -0.08 -0.05 1.03 -1.08 0.00 0.00 175.30 175.60 2ju5 s ARG 4 N -0.75 0.71 0.01 3.89 0.52 -1.26 -5.17 118.95 116.90 2ju5 s ARG 4 Ca -0.08 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 53.89 2ju5 s ARG 4 Cb -0.05 -0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 2ju5 s ARG 4 CO 0.01 -0.04 0.05 0.00 0.02 0.00 0.00 175.30 175.34 2ju5 s ALA 5 N -3.37 -0.10 0.24 2.13 0.00 -1.26 -5.04 121.76 114.35 2ju5 s ALA 5 Ca 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 2ju5 s ALA 5 Cb 0.04 0.14 0.24 0.00 0.00 0.00 0.00 23.12 23.53 2ju5 s ALA 5 CO -0.06 -0.19 1.79 0.66 0.00 0.00 0.00 175.76 177.97 2ju5 h SER 6 N 4.43 0.99 -0.03 0.00 4.64 -2.08 -3.46 113.55 118.04 2ju5 h SER 6 Ca -0.31 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2ju5 h SER 6 Cb 1.20 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2ju5 h SER 6 CO 0.41 0.91 -0.01 0.61 -0.87 0.00 0.00 176.83 177.88 2ju5 n GLY 7 N -0.86 0.47 3.57 -0.77 0.00 -1.26 -4.94 105.19 101.40 2ju5 n GLY 7 Ca 0.06 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2ju5 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju5 s GLU 8 N -0.70 3.13 0.18 1.61 2.12 -1.26 -4.77 118.70 119.01 2ju5 s GLU 8 Ca 0.00 -1.24 -0.11 0.00 0.36 0.00 0.00 54.97 53.98 2ju5 s GLU 8 Cb 0.00 -5.32 0.10 0.00 0.26 0.00 0.00 34.13 29.17 2ju5 s GLU 8 CO 0.00 -3.07 1.75 -0.91 -0.54 0.00 0.00 175.26 172.49 2ju5 h ASN 9 N 9.41 0.88 -3.36 -1.70 2.35 -2.04 -3.42 115.58 117.70 2ju5 h ASN 9 Ca 0.26 -0.16 -0.67 0.00 -0.55 0.00 0.00 56.30 55.18 2ju5 h ASN 9 Cb 0.94 -0.23 -0.17 0.00 0.05 0.00 0.00 38.32 38.92 2ju5 h ASN 9 CO 1.33 0.80 -0.64 -0.76 -1.65 0.00 0.00 177.43 176.51 2ju5 s LEU 10 N -9.77 3.48 -0.12 1.61 1.43 -1.26 -5.10 118.68 108.95 2ju5 s LEU 10 Ca -0.13 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2ju5 s LEU 10 Cb 0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2ju5 s LEU 10 CO 0.80 0.32 -0.12 -1.10 0.23 0.00 0.00 176.35 176.48 2ju5 s GLN 11 N -0.53 3.25 0.08 1.70 -0.21 -1.26 -5.12 119.66 117.57 2ju5 s GLN 11 Ca 0.09 -0.67 0.06 0.00 0.02 0.00 0.00 55.36 54.86 2ju5 s GLN 11 Cb -0.12 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2ju5 s GLN 11 CO 0.02 0.29 -0.17 -0.65 -2.12 0.00 0.00 175.29 172.66 2ju5 s GLN 12 N 0.14 0.98 0.09 2.91 -1.52 -1.26 -5.15 119.66 115.84 2ju5 s GLN 12 Ca -0.06 -1.02 0.04 0.00 -1.95 0.00 0.00 55.36 52.37 2ju5 s GLN 12 Cb -0.15 -1.09 -0.03 0.00 -0.22 0.00 0.00 33.01 31.51 2ju5 s GLN 12 CO 0.05 0.25 -0.12 0.95 -0.25 0.00 0.00 175.29 176.17 2ju5 s THR 13 N -1.17 1.03 -1.03 -0.19 -4.23 -1.26 -4.89 115.64 103.90 2ju5 s THR 13 Ca 0.02 -1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2ju5 s THR 13 Cb -0.10 -1.20 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 2ju5 s THR 13 CO 0.03 -0.39 0.87 0.54 -0.54 0.00 0.00 174.62 175.13 2ju5 n ARG 14 N 0.92 -1.96 -1.55 3.99 3.00 -1.26 -4.98 116.66 114.82 2ju5 n ARG 14 Ca -0.19 0.86 -0.32 0.00 -0.01 0.00 0.00 57.85 58.19 2ju5 n ARG 14 Cb 0.56 -5.48 0.06 0.00 0.00 0.00 0.00 32.46 27.60 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2ju5 s PRO 15 N -4.55 2.67 -0.03 5.56 0.04 -1.26 -5.07 135.00 132.36 2ju5 s PRO 15 Ca 0.41 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2ju5 s PRO 15 Cb -0.07 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2ju5 s PRO 15 CO 0.76 -1.33 -0.08 -1.50 0.04 0.00 0.00 177.00 174.90 2ju5 s ILE 16 N -2.73 0.75 0.39 0.56 2.07 -1.26 -5.13 121.20 115.85 2ju5 s ILE 16 Ca 0.62 -0.33 -0.26 0.00 -1.41 0.00 0.00 60.65 59.27 2ju5 s ILE 16 Cb -0.17 -0.68 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 2ju5 s ILE 16 CO 0.50 0.24 1.23 0.00 -1.91 0.00 0.00 174.94 175.00 2ju5 s ALA 17 N 0.30 3.25 0.17 1.50 0.00 -1.26 -5.03 121.76 120.69 2ju5 s ALA 17 Ca -0.05 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 2ju5 s ALA 17 Cb -0.09 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.66 2ju5 s ALA 17 CO 0.01 -0.62 0.64 0.00 0.00 0.00 0.00 175.76 175.78 2ju5 s ALA 18 N -1.31 -1.55 0.41 0.00 0.00 -1.26 -5.14 121.76 112.91 2ju5 s ALA 18 Ca 0.55 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2ju5 s ALA 18 Cb -0.34 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2ju5 s ALA 18 CO 0.44 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 175.39 2ju5 n ALA 19 N -0.39 -2.07 -2.40 0.00 0.00 -1.26 -5.05 120.51 109.33 2ju5 n ALA 19 Ca -0.14 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 2ju5 n ALA 19 Cb 0.64 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 2ju5 n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ju5 s ASN 20 N -5.48 0.15 0.31 0.00 4.22 -1.26 -5.12 114.94 107.76 2ju5 s ASN 20 Ca 0.00 -1.31 -0.28 0.00 -2.14 0.00 0.00 52.86 49.13 2ju5 s ASN 20 Cb 0.00 0.43 -0.09 0.00 1.28 0.00 0.00 41.25 42.87 2ju5 s ASN 20 CO 0.00 -0.91 1.08 -0.22 -2.04 0.00 0.00 177.10 175.01 2ju5 s LEU 21 N -3.14 4.46 -0.47 3.54 2.96 -1.26 -5.00 118.68 119.77 2ju5 s LEU 21 Ca 0.36 2.21 -0.15 0.00 -0.22 0.00 0.00 54.13 56.32 2ju5 s LEU 21 Cb 0.05 -3.76 0.07 0.00 0.50 0.00 0.00 46.19 43.06 2ju5 s LEU 21 CO 0.12 -0.22 0.38 -1.10 -1.32 0.00 0.00 176.35 174.21 2ju5 s GLN 22 N -1.68 2.94 0.20 1.98 -0.21 -1.26 -5.06 119.66 116.58 2ju5 s GLN 22 Ca 0.47 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 2ju5 s GLN 22 Cb -0.29 -4.10 -0.08 0.00 1.00 0.00 0.00 33.01 29.54 2ju5 s GLN 22 CO 0.38 -1.02 1.02 -1.58 -2.12 0.00 0.00 175.29 171.96 2ju5 s TRP 23 N 1.62 3.77 0.31 0.91 0.51 -1.26 -4.49 118.94 120.31 2ju5 s TRP 23 Ca 0.04 1.77 0.08 0.00 -2.12 0.00 0.00 56.10 55.87 2ju5 s TRP 23 Cb -0.24 -3.13 -0.06 0.00 -0.81 0.00 0.00 33.47 29.23 2ju5 s TRP 23 CO 0.06 -0.05 -0.07 -1.21 -0.51 0.00 0.00 176.95 175.17 2ju5 s GLU 24 N -0.77 1.68 0.58 4.98 2.02 -0.60 -5.05 118.70 121.53 2ju5 s GLU 24 Ca 0.45 -1.86 -0.09 0.00 0.02 0.00 0.00 54.97 53.49 2ju5 s GLU 24 Cb -0.27 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 2ju5 s GLU 24 CO 0.34 0.08 0.96 -1.54 0.02 0.00 0.00 175.26 175.11 2ju5 s SER 25 N -3.52 6.25 0.20 -0.19 1.04 -1.26 -4.22 113.70 112.00 2ju5 s SER 25 Ca 0.31 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.91 2ju5 s SER 25 Cb 0.03 -2.41 0.16 0.00 0.10 0.00 0.00 66.02 63.91 2ju5 s SER 25 CO 0.14 -0.77 1.86 0.22 0.98 0.00 0.00 173.24 175.67 2ju5 h TYR 26 N -0.12 0.85 -0.55 5.02 3.20 -1.94 0.33 116.97 123.76 2ju5 h TYR 26 Ca -0.45 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.34 2ju5 h TYR 26 Cb 1.19 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2ju5 h TYR 26 CO 0.64 0.51 -0.07 0.00 -1.64 0.00 0.00 178.16 177.60 2ju5 h ALA 27 N 1.28 0.74 -0.51 1.82 0.00 -2.01 -2.91 119.26 117.68 2ju5 h ALA 27 Ca 0.27 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2ju5 h ALA 27 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2ju5 h ALA 27 CO -0.08 0.63 -0.15 0.93 0.00 0.00 0.00 179.25 180.58 2ju5 h GLU 28 N 0.89 0.98 -0.33 0.00 4.39 -1.76 -3.11 114.58 115.64 2ju5 h GLU 28 Ca 0.15 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.47 2ju5 h GLU 28 Cb 0.63 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2ju5 h GLU 28 CO 0.04 1.05 0.21 0.00 -1.16 0.00 0.00 179.01 179.15 2ju5 h ALA 29 N 0.95 0.42 -0.70 3.43 0.00 -0.25 -2.67 119.26 120.44 2ju5 h ALA 29 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2ju5 h ALA 29 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2ju5 h ALA 29 CO 0.05 -0.14 0.17 -0.07 0.00 0.00 0.00 179.25 179.27 2ju5 h LEU 30 N 0.43 1.07 -0.86 0.00 3.38 -1.52 -1.20 115.31 116.60 2ju5 h LEU 30 Ca 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ju5 h LEU 30 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2ju5 h LEU 30 CO -0.04 1.03 0.47 -0.33 0.09 0.00 0.00 178.44 179.65 2ju5 h GLU 31 N 1.06 1.19 -0.30 1.13 5.08 -1.46 0.16 114.58 121.45 2ju5 h GLU 31 Ca 0.22 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2ju5 h GLU 31 Cb 0.37 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ju5 h GLU 31 CO 0.00 0.87 0.07 0.45 -1.00 0.00 0.00 179.01 179.41 2ju5 h HIS 32 N 1.19 0.50 -0.35 4.33 3.86 -1.16 -2.95 115.15 120.57 2ju5 h HIS 32 Ca 0.30 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 2ju5 h HIS 32 Cb 0.03 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2ju5 h HIS 32 CO 0.01 0.53 -0.07 0.77 0.86 0.00 0.00 177.93 180.02 2ju5 h SER 33 N 0.32 0.56 -0.26 2.45 0.02 -0.66 1.57 113.55 117.54 2ju5 h SER 33 Ca 0.09 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2ju5 h SER 33 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2ju5 h SER 33 CO 0.00 0.68 0.18 0.11 -1.14 0.00 0.00 176.83 176.66 2ju5 h LYS 34 N 0.54 0.16 0.03 3.45 1.57 -0.55 1.63 116.57 123.40 2ju5 h LYS 34 Ca 0.10 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.49 2ju5 h LYS 34 Cb 0.46 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 2ju5 h LYS 34 CO 0.02 0.11 -2.30 1.04 -0.57 0.00 0.00 179.45 177.75 2ju5 n GLN 35 N -4.49 0.65 0.05 3.15 6.02 -0.58 -4.58 117.38 117.61 2ju5 n GLN 35 Ca 0.02 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 2ju5 n GLN 35 Cb 0.22 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.61 0.55 -0.28 1.08 8.00 0.53 -4.97 116.55 117.85 2ju5 n ASP 36 Ca -0.44 0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.12 2ju5 n ASP 36 Cb 0.96 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 43.00 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 -2.37 0.00 -2.60 1.24 8.25 0.56 -4.96 115.22 115.34 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 -1.30 -0.04 0.00 1.12 0.00 0.00 29.99 30.30 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 -1.63 4.62 0.68 -0.41 -0.14 -1.26 -4.86 119.74 116.74 2ju5 s LYS 38 Ca 0.00 1.61 -0.17 0.00 -1.36 0.00 0.00 55.97 56.05 2ju5 s LYS 38 Cb 0.00 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.83 2ju5 s LYS 38 CO 0.00 0.10 1.26 -2.14 -0.76 0.00 0.00 175.35 173.81 2ju5 s PRO 39 N -0.07 2.39 -0.13 -1.68 0.02 -1.26 -4.59 135.00 129.68 2ju5 s PRO 39 Ca 0.49 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 2ju5 s PRO 39 Cb -0.27 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 2ju5 s PRO 39 CO 0.32 -1.70 -0.07 0.42 -0.33 0.00 0.00 177.00 175.65 2ju5 s ILE 40 N -1.59 3.63 -0.28 2.83 1.01 0.99 -2.11 121.20 125.67 2ju5 s ILE 40 Ca 0.80 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 2ju5 s ILE 40 Cb -0.35 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2ju5 s ILE 40 CO 0.42 0.53 0.09 -0.83 0.00 0.00 0.00 174.94 175.14 2ju5 s GLY 41 N 0.05 1.79 -0.33 6.18 0.00 -0.31 -1.62 107.32 113.09 2ju5 s GLY 41 Ca -0.02 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.19 2ju5 s GLY 41 CO 0.03 0.62 0.50 1.08 0.00 0.00 0.00 173.10 175.33 2ju5 s LEU 42 N 1.55 4.28 -0.58 0.66 1.02 -1.04 -1.14 118.68 123.44 2ju5 s LEU 42 Ca 0.04 0.07 -0.21 0.00 0.02 0.00 0.00 54.13 54.05 2ju5 s LEU 42 Cb -0.16 -2.58 0.07 0.00 0.02 0.00 0.00 46.19 43.54 2ju5 s LEU 42 CO 0.03 -0.43 0.80 0.12 0.02 0.00 0.00 176.35 176.90 2ju5 s PHE 43 N 2.35 2.88 -0.26 0.29 5.36 -0.37 -3.40 117.98 124.83 2ju5 s PHE 43 Ca 0.19 -0.53 -0.18 0.00 -0.96 0.00 0.00 56.93 55.45 2ju5 s PHE 43 Cb -0.16 -3.96 -0.03 0.00 -0.34 0.00 0.00 43.02 38.53 2ju5 s PHE 43 CO 0.12 -1.33 0.51 -0.06 -1.46 0.00 0.00 175.22 173.00 2ju5 s PHE 44 N 3.32 3.27 0.22 10.12 0.08 -0.96 -0.88 117.98 133.15 2ju5 s PHE 44 Ca 0.19 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.82 2ju5 s PHE 44 Cb -0.18 -2.71 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 2ju5 s PHE 44 CO 0.12 -0.27 0.39 0.25 -0.10 0.00 0.00 175.22 175.61 2ju5 n THR 45 N 5.11 0.00 -3.65 0.64 -2.24 -0.81 -2.67 114.28 110.67 2ju5 n THR 45 Ca -0.04 -0.78 -0.29 0.00 -2.27 0.00 0.00 64.05 60.66 2ju5 n THR 45 Cb 0.50 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.25 1.50 0.42 3.38 0.00 -1.26 0.76 107.32 109.87 2ju5 s GLY 46 Ca 0.13 -2.45 0.13 0.00 0.00 0.00 0.00 44.72 42.52 2ju5 s GLY 46 CO 0.09 1.68 1.96 1.76 0.00 0.00 0.00 173.10 178.60 2ju5 h SER 47 N 6.72 0.42 -0.01 1.64 0.02 -1.87 -0.52 113.55 119.94 2ju5 h SER 47 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2ju5 h SER 47 Cb 0.93 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2ju5 h SER 47 CO 0.43 0.25 -0.49 0.47 -1.14 0.00 0.00 176.83 176.35 2ju5 n ASP 48 N -4.48 1.60 0.00 3.07 8.00 -1.26 -4.73 116.55 118.75 2ju5 n ASP 48 Ca 0.11 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2ju5 n ASP 48 Cb 0.38 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N -0.36 0.00 -3.23 1.24 4.27 -1.10 -4.86 117.44 113.39 2ju5 n TRP 49 Ca 0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 2ju5 n TRP 49 Cb 0.37 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.24 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 8.62 0.59 -0.16 0.00 4.05 -1.96 -2.80 114.93 123.28 2ju5 h MET 51 Ca -0.27 -0.50 -0.01 0.00 -0.28 0.00 0.00 59.70 58.65 2ju5 h MET 51 Cb 1.12 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 2ju5 h MET 51 CO 0.80 1.12 0.07 -1.49 0.23 0.00 0.00 176.91 177.64 2ju5 h TRP 52 N 0.22 0.20 -0.44 1.39 6.55 -1.93 -0.91 115.95 121.03 2ju5 h TRP 52 Ca -0.04 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.66 2ju5 h TRP 52 Cb 1.24 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 29.47 2ju5 h TRP 52 CO 0.11 0.16 -0.26 0.00 -1.05 0.00 0.00 178.44 177.40 2ju5 h ILE 54 N 0.79 1.20 -0.39 0.00 2.04 -0.97 0.11 117.51 120.30 2ju5 h ILE 54 Ca 0.09 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2ju5 h ILE 54 Cb 0.84 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2ju5 h ILE 54 CO 0.07 0.22 0.25 0.11 0.00 0.00 0.00 178.15 178.80 2ju5 h LYS 55 N 0.74 0.52 -0.50 2.37 1.79 -0.84 1.73 116.57 122.38 2ju5 h LYS 55 Ca 0.19 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2ju5 h LYS 55 Cb 0.10 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2ju5 h LYS 55 CO -0.03 0.36 0.26 1.98 -1.08 0.00 0.00 179.45 180.95 2ju5 h MET 56 N 0.52 0.72 -0.06 3.15 4.05 -0.62 0.42 114.93 123.10 2ju5 h MET 56 Ca 0.14 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2ju5 h MET 56 Cb -0.03 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2ju5 h MET 56 CO -0.03 0.58 -0.01 0.37 0.23 0.00 0.00 176.91 178.05 2ju5 h GLN 57 N 0.67 0.12 -0.33 0.39 4.15 -0.31 0.30 115.11 120.10 2ju5 h GLN 57 Ca 0.18 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.42 2ju5 h GLN 57 Cb 0.09 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2ju5 h GLN 57 CO -0.02 0.43 -0.35 0.22 -1.93 0.00 0.00 178.83 177.18 2ju5 h ASP 58 N -0.21 0.78 0.59 -0.69 1.82 0.27 -0.86 116.42 118.13 2ju5 h ASP 58 Ca 0.02 -0.33 -0.20 0.00 -0.39 0.00 0.00 57.03 56.13 2ju5 h ASP 58 Cb 0.39 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2ju5 h ASP 58 CO 0.01 1.05 -1.55 0.00 -1.61 0.00 0.00 179.24 177.13 2ju5 n GLN 59 N -4.06 0.63 -0.01 0.28 6.02 0.15 -4.42 117.38 115.96 2ju5 n GLN 59 Ca -0.01 0.21 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 2ju5 n GLN 59 Cb 0.50 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.88 0.84 -0.31 5.09 5.41 0.10 -3.77 119.36 123.84 2ju5 n ILE 60 Ca -0.12 0.13 -0.04 0.00 1.00 0.00 0.00 62.75 63.72 2ju5 n ILE 60 Cb 0.89 -1.68 0.10 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 1.09 -0.89 1.39 -0.00 -1.38 -2.14 115.31 113.15 2ju5 h LEU 61 Ca -0.08 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2ju5 h LEU 61 Cb 0.68 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2ju5 h LEU 61 CO -0.05 0.89 0.00 0.00 -0.00 0.00 0.00 178.44 179.28 2ju5 n GLN 62 N -4.32 1.59 -2.65 1.13 6.02 -0.34 -4.39 117.38 114.43 2ju5 n GLN 62 Ca 0.09 -0.88 -0.33 0.00 -0.01 0.00 0.00 57.00 55.87 2ju5 n GLN 62 Cb 0.11 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ju5 s SER 63 N -1.75 6.73 0.16 1.08 1.04 -0.81 -4.93 113.70 115.22 2ju5 s SER 63 Ca 0.35 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 58.34 2ju5 s SER 63 Cb 0.19 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.82 2ju5 s SER 63 CO 0.29 -0.51 1.78 0.28 0.98 0.00 0.00 173.24 176.07 2ju5 h SER 64 N 1.56 0.64 -0.72 7.02 0.02 -1.91 -1.51 113.55 118.65 2ju5 h SER 64 Ca -0.48 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 2ju5 h SER 64 Cb 1.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2ju5 h SER 64 CO 0.61 0.53 0.26 -0.33 -1.14 0.00 0.00 176.83 176.76 2ju5 h GLU 65 N 0.69 1.09 -0.46 3.45 3.07 -1.91 -1.82 114.58 118.69 2ju5 h GLU 65 Ca 0.18 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2ju5 h GLU 65 Cb 0.03 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2ju5 h GLU 65 CO -0.03 0.92 0.17 0.35 -1.40 0.00 0.00 179.01 179.02 2ju5 h PHE 66 N 1.04 0.71 -0.48 4.33 3.04 -1.72 -1.58 116.94 122.28 2ju5 h PHE 66 Ca 0.24 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 2ju5 h PHE 66 Cb 0.25 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2ju5 h PHE 66 CO 0.02 0.61 0.29 0.87 -2.02 0.00 0.00 178.31 178.08 2ju5 h LYS 67 N 0.60 0.66 -0.20 1.11 1.57 -1.01 -0.31 116.57 119.00 2ju5 h LYS 67 Ca 0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2ju5 h LYS 67 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ju5 h LYS 67 CO -0.01 0.49 -0.03 1.25 -0.57 0.00 0.00 179.45 180.58 2ju5 h HIS 68 N 0.64 0.41 0.11 -1.35 2.76 -1.24 0.17 115.15 116.65 2ju5 h HIS 68 Ca 0.17 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2ju5 h HIS 68 Cb 0.01 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.86 2ju5 h HIS 68 CO -0.03 0.60 -0.05 0.35 -1.30 0.00 0.00 177.93 177.50 2ju5 h PHE 69 N 0.10 -0.13 -0.27 5.26 3.57 -1.17 -2.29 116.94 122.00 2ju5 h PHE 69 Ca 0.05 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 69 Cb 0.46 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2ju5 h PHE 69 CO 0.05 -0.06 -0.31 0.00 -2.23 0.00 0.00 178.31 175.76 2ju5 h ALA 70 N 0.73 0.97 -0.51 2.41 0.00 -1.07 0.43 119.26 122.21 2ju5 h ALA 70 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2ju5 h ALA 70 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ju5 h ALA 70 CO 0.02 0.61 0.03 0.78 0.00 0.00 0.00 179.25 180.69 2ju5 h GLY 71 N 1.03 0.90 0.63 0.00 0.00 -0.84 0.34 103.07 105.13 2ju5 h GLY 71 Ca 0.06 -0.59 -0.29 0.00 0.00 0.00 0.00 47.33 46.51 2ju5 h GLY 71 CO 0.06 0.54 -1.47 -2.08 0.00 0.00 0.00 176.54 173.59 2ju5 h VAL 72 N 0.78 1.02 -0.01 4.60 2.07 -1.25 -3.41 116.25 120.05 2ju5 h VAL 72 Ca 0.16 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2ju5 h VAL 72 Cb 0.43 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2ju5 h VAL 72 CO 0.02 0.74 -0.39 1.41 0.02 0.00 0.00 177.57 179.36 2ju5 n HIS 73 N -3.86 0.00 -4.16 1.57 -0.00 0.15 -5.07 115.22 103.85 2ju5 n HIS 73 Ca -0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.36 2ju5 n HIS 73 Cb 0.93 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.83 2ju5 n HIS 73 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ju5 s LEU 74 N -2.10 1.28 -0.16 2.41 1.02 0.12 -4.30 118.68 116.94 2ju5 s LEU 74 Ca 0.10 -1.28 -0.01 0.00 0.02 0.00 0.00 54.13 52.97 2ju5 s LEU 74 Cb 0.11 0.48 -0.00 0.00 0.02 0.00 0.00 46.19 46.80 2ju5 s LEU 74 CO 0.41 -0.83 -0.13 -1.00 0.02 0.00 0.00 176.35 174.82 2ju5 s HIS 75 N -4.11 2.82 -0.13 0.29 3.76 -0.90 -4.48 115.29 112.54 2ju5 s HIS 75 Ca 0.32 -0.99 -0.06 0.00 -0.15 0.00 0.00 55.06 54.18 2ju5 s HIS 75 Cb 0.06 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2ju5 s HIS 75 CO 0.08 -0.46 0.07 1.41 -0.85 0.00 0.00 174.74 174.99 2ju5 s MET 76 N 0.88 3.49 -0.08 1.40 1.75 -1.26 -1.16 119.30 124.32 2ju5 s MET 76 Ca -0.04 -0.28 0.04 0.00 -1.25 0.00 0.00 55.69 54.16 2ju5 s MET 76 Cb -0.15 -3.09 0.00 0.00 2.84 0.00 0.00 34.83 34.44 2ju5 s MET 76 CO -0.01 0.59 -0.20 0.08 -0.65 0.00 0.00 175.02 174.83 2ju5 s VAL 77 N -0.52 1.73 -0.21 10.11 1.01 -0.29 -1.56 120.40 130.68 2ju5 s VAL 77 Ca 0.11 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2ju5 s VAL 77 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2ju5 s VAL 77 CO 0.02 0.49 0.34 -0.70 0.00 0.00 0.00 175.10 175.25 2ju5 s GLU 78 N 0.35 4.15 -0.39 2.72 2.12 -1.26 -1.23 118.70 125.17 2ju5 s GLU 78 Ca -0.15 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2ju5 s GLU 78 Cb -0.16 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 30.81 2ju5 s GLU 78 CO 0.06 -0.01 0.18 0.08 -0.54 0.00 0.00 175.26 175.03 2ju5 s VAL 79 N 1.24 1.22 0.04 3.70 1.01 -0.06 -4.91 120.40 122.63 2ju5 s VAL 79 Ca 0.16 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 60.05 2ju5 s VAL 79 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2ju5 s VAL 79 CO 0.07 -0.81 0.04 -1.81 0.00 0.00 0.00 175.10 172.59 2ju5 s ASP 80 N 0.85 5.33 -0.60 3.32 1.01 -1.26 -1.92 116.67 123.40 2ju5 s ASP 80 Ca 0.15 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.45 2ju5 s ASP 80 Cb -0.22 -1.41 0.20 0.00 1.01 0.00 0.00 42.92 42.50 2ju5 s ASP 80 CO -0.09 0.23 0.52 0.49 0.21 0.00 0.00 175.17 176.53 2ju5 n PHE 81 N 0.92 2.06 -1.63 4.23 3.72 0.23 -4.93 117.46 122.06 2ju5 n PHE 81 Ca -0.12 -3.98 -0.31 0.00 -0.05 0.00 0.00 57.45 52.99 2ju5 n PHE 81 Cb 0.52 -0.39 0.06 0.00 -0.94 0.00 0.00 39.48 38.73 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ju5 s PRO 82 N -1.34 2.77 0.13 -1.08 0.04 -1.26 -4.39 135.00 129.86 2ju5 s PRO 82 Ca 0.31 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 2ju5 s PRO 82 Cb 0.04 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2ju5 s PRO 82 CO -0.14 -1.18 1.35 -0.56 0.04 0.00 0.00 177.00 176.52 2ju5 h GLN 83 N -0.77 0.68 -4.13 4.56 3.07 -1.95 -3.36 115.11 113.21 2ju5 h GLN 83 Ca -0.45 -0.55 -0.76 0.00 0.09 0.00 0.00 58.65 56.98 2ju5 h GLN 83 Cb 1.23 0.11 -0.24 0.00 0.08 0.00 0.00 27.48 28.66 2ju5 h GLN 83 CO 0.59 1.17 -0.08 0.15 0.09 0.00 0.00 178.83 180.75 2ju5 s LYS 84 N -3.73 3.15 -0.06 0.06 -0.14 -1.26 -5.03 119.74 112.73 2ju5 s LYS 84 Ca -0.09 -1.84 -0.21 0.00 -1.36 0.00 0.00 55.97 52.48 2ju5 s LYS 84 Cb 0.09 -4.34 -0.04 0.00 -1.68 0.00 0.00 37.83 31.86 2ju5 s LYS 84 CO 0.89 -1.36 0.60 -0.80 -0.76 0.00 0.00 175.35 173.92 2ju5 s ASN 85 N 3.27 6.90 -0.01 2.83 0.01 -1.26 -4.92 114.94 121.77 2ju5 s ASN 85 Ca 0.08 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.32 2ju5 s ASN 85 Cb -0.24 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2ju5 s ASN 85 CO 0.00 -0.00 0.89 1.41 -1.51 0.00 0.00 177.10 177.89 2ju5 n HIS 86 N 3.35 0.00 -2.78 2.20 8.25 -1.26 -5.09 115.22 119.89 2ju5 n HIS 86 Ca -0.05 -0.07 -0.38 0.00 -0.26 0.00 0.00 57.72 56.96 2ju5 n HIS 86 Cb 0.51 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.20 4.68 0.58 -0.41 -0.21 -1.26 -5.02 119.66 117.82 2ju5 s GLN 87 Ca 0.02 1.38 -0.20 0.00 0.02 0.00 0.00 55.36 56.58 2ju5 s GLN 87 Cb 0.02 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 2ju5 s GLN 87 CO 0.00 0.37 1.17 -2.30 -2.12 0.00 0.00 175.29 172.41 2ju5 n PRO 88 N 0.89 1.23 -0.19 2.91 -0.02 -1.26 -4.67 135.00 133.90 2ju5 n PRO 88 Ca 0.00 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 2ju5 n PRO 88 Cb 0.49 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 2ju5 n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ju5 h GLU 89 N 0.86 0.04 -0.89 -0.52 5.08 -1.98 0.65 114.58 117.82 2ju5 h GLU 89 Ca -0.50 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2ju5 h GLU 89 Cb 1.34 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 2ju5 h GLU 89 CO 0.54 0.03 0.59 0.93 -1.00 0.00 0.00 179.01 180.09 2ju5 h GLU 90 N 0.04 1.08 -0.43 2.33 5.08 -1.99 0.27 114.58 120.96 2ju5 h GLU 90 Ca 0.29 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 2ju5 h GLU 90 Cb 0.45 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ju5 h GLU 90 CO -0.56 0.71 -0.24 1.96 -1.00 0.00 0.00 179.01 179.88 2ju5 h GLN 91 N 1.11 0.92 -0.32 2.33 1.08 -1.43 -1.92 115.11 116.88 2ju5 h GLN 91 Ca 0.36 -0.42 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 2ju5 h GLN 91 Cb 0.03 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2ju5 h GLN 91 CO -0.11 1.07 -0.31 0.00 -0.95 0.00 0.00 178.83 178.54 2ju5 h ARG 92 N 0.75 0.77 -0.45 1.46 3.08 -0.04 -0.87 114.38 119.07 2ju5 h ARG 92 Ca 0.09 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2ju5 h ARG 92 Cb 0.82 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2ju5 h ARG 92 CO 0.07 1.03 0.23 1.96 -1.07 0.00 0.00 179.97 182.19 2ju5 h GLN 93 N 0.53 0.64 -0.39 0.04 1.08 -0.47 -0.70 115.11 115.84 2ju5 h GLN 93 Ca 0.05 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2ju5 h GLN 93 Cb 0.89 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2ju5 h GLN 93 CO 0.08 0.53 0.18 -0.22 -0.95 0.00 0.00 178.83 178.45 2ju5 h LYS 94 N 0.59 0.56 -0.85 1.46 3.64 -1.31 -1.60 116.57 119.06 2ju5 h LYS 94 Ca 0.16 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2ju5 h LYS 94 Cb 0.09 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2ju5 h LYS 94 CO -0.02 0.50 0.54 -0.97 -2.27 0.00 0.00 179.45 177.23 2ju5 h ASN 95 N 0.49 0.90 -0.48 4.20 -0.73 -0.83 0.01 115.58 119.14 2ju5 h ASN 95 Ca 0.13 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 2ju5 h ASN 95 Cb 0.13 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 2ju5 h ASN 95 CO -0.02 0.62 -0.07 1.56 -0.37 0.00 0.00 177.43 179.15 2ju5 h GLN 96 N 1.06 0.94 -0.48 6.67 4.20 -0.86 -0.96 115.11 125.69 2ju5 h GLN 96 Ca 0.34 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 96 Cb 0.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2ju5 h GLN 96 CO -0.12 0.98 0.19 1.49 -0.67 0.00 0.00 178.83 180.70 2ju5 h GLU 97 N 0.85 0.72 -0.66 1.46 4.81 -0.54 -2.19 114.58 119.03 2ju5 h GLU 97 Ca 0.14 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2ju5 h GLU 97 Cb 0.60 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2ju5 h GLU 97 CO 0.04 0.66 0.14 1.25 -0.73 0.00 0.00 179.01 180.37 2ju5 h LEU 98 N 0.64 1.02 -1.15 1.64 5.85 -0.80 0.21 115.31 122.71 2ju5 h LEU 98 Ca 0.16 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2ju5 h LEU 98 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2ju5 h LEU 98 CO -0.01 1.00 0.54 0.50 -0.34 0.00 0.00 178.44 180.13 2ju5 h LYS 99 N 1.00 1.11 0.16 1.25 3.64 -0.95 -2.16 116.57 120.61 2ju5 h LYS 99 Ca 0.21 -0.07 -0.29 0.00 -1.27 0.00 0.00 60.65 59.22 2ju5 h LYS 99 Cb 0.39 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2ju5 h LYS 99 CO 0.01 0.75 -1.30 0.00 -2.27 0.00 0.00 179.45 176.63 2ju5 h ALA 100 N 1.46 0.02 -0.35 5.00 0.00 -1.05 0.11 119.26 124.44 2ju5 h ALA 100 Ca 0.31 -0.85 0.04 0.00 0.00 0.00 0.00 54.91 54.41 2ju5 h ALA 100 Cb -0.11 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2ju5 h ALA 100 CO -0.06 0.83 0.13 0.37 0.00 0.00 0.00 179.25 180.52 2ju5 h GLN 101 N 0.13 0.27 -0.58 0.00 4.15 -0.09 -1.81 115.11 117.19 2ju5 h GLN 101 Ca -0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2ju5 h GLN 101 Cb 2.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.63 2ju5 h GLN 101 CO 0.23 0.18 0.00 0.66 -1.93 0.00 0.00 178.83 177.97 2ju5 n TYR 102 N -5.01 0.90 -3.72 3.99 4.01 -0.86 -4.91 117.16 111.56 2ju5 n TYR 102 Ca 0.01 -0.37 -0.22 0.00 -0.16 0.00 0.00 57.90 57.17 2ju5 n TYR 102 Cb 0.12 -0.15 0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.64 -4.71 -3.08 -0.72 5.02 -0.68 -4.92 118.16 109.72 2ju5 n LYS 103 Ca 0.16 0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 2ju5 n LYS 103 Cb 0.58 -5.11 -0.06 0.00 -0.02 0.00 0.00 35.03 30.42 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 -3.70 4.99 -0.02 -0.18 1.01 0.38 -4.89 120.40 117.99 2ju5 s VAL 104 Ca 0.01 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2ju5 s VAL 104 Cb -0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2ju5 s VAL 104 CO 0.82 0.07 -0.02 0.35 0.00 0.00 0.00 175.10 176.32 2ju5 n THR 105 N 4.85 0.09 -4.02 3.92 -2.24 -1.26 -4.74 114.28 110.88 2ju5 n THR 105 Ca -0.00 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 2ju5 n THR 105 Cb 0.49 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 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 -4.80 2.08 0.11 3.38 0.00 -1.26 -5.12 107.32 101.70 2ju5 s GLY 106 Ca -0.02 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 43.86 2ju5 s GLY 106 CO 0.03 -0.88 -0.21 -0.11 0.00 0.00 0.00 173.10 171.93 2ju5 s PHE 107 N -1.38 1.79 0.31 1.90 -0.12 -1.26 -3.96 117.98 115.26 2ju5 s PHE 107 Ca 0.29 -0.42 -0.27 0.00 -0.05 0.00 0.00 56.93 56.48 2ju5 s PHE 107 Cb -0.12 -0.98 -0.09 0.00 -0.63 0.00 0.00 43.02 41.19 2ju5 s PHE 107 CO 0.22 0.21 0.99 -1.25 -0.05 0.00 0.00 175.22 175.34 2ju5 s PRO 108 N -1.95 4.59 -0.03 1.99 0.04 -1.26 -4.80 135.00 133.59 2ju5 s PRO 108 Ca 0.07 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2ju5 s PRO 108 Cb -0.10 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.53 2ju5 s PRO 108 CO 0.04 0.26 0.01 -2.00 0.04 0.00 0.00 177.00 175.35 2ju5 s GLU 109 N -1.81 0.19 -0.19 4.56 2.12 -1.09 -3.94 118.70 118.54 2ju5 s GLU 109 Ca 0.48 0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 2ju5 s GLU 109 Cb -0.23 -0.43 0.01 0.00 0.26 0.00 0.00 34.13 33.74 2ju5 s GLU 109 CO 0.29 -0.16 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.55 2ju5 s LEU 110 N 1.12 2.48 -0.11 2.70 0.20 0.17 -2.26 118.68 122.97 2ju5 s LEU 110 Ca -0.09 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.23 2ju5 s LEU 110 Cb -0.13 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.03 2ju5 s LEU 110 CO -0.02 0.00 -0.19 0.68 -0.29 0.00 0.00 176.35 176.53 2ju5 s VAL 111 N 1.32 2.55 -0.21 1.68 -7.23 -1.22 -0.29 120.40 117.00 2ju5 s VAL 111 Ca 0.04 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 2ju5 s VAL 111 Cb -0.14 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2ju5 s VAL 111 CO -0.08 0.54 0.18 -0.36 -0.31 0.00 0.00 175.10 175.07 2ju5 s PHE 112 N 0.32 3.37 0.13 2.82 0.08 0.69 -2.51 117.98 122.88 2ju5 s PHE 112 Ca -0.14 0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.28 2ju5 s PHE 112 Cb -0.17 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 2ju5 s PHE 112 CO 0.07 0.16 -0.12 0.96 -0.10 0.00 0.00 175.22 176.20 2ju5 s ILE 113 N 0.76 1.18 0.76 0.64 -4.36 -0.64 -0.43 121.20 119.12 2ju5 s ILE 113 Ca 0.09 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 58.59 2ju5 s ILE 113 Cb -0.13 -1.61 0.16 0.00 1.25 0.00 0.00 42.46 42.14 2ju5 s ILE 113 CO 0.02 -0.57 1.04 0.47 0.24 0.00 0.00 174.94 176.14 2ju5 n ASP 114 N 0.26 0.80 0.05 4.36 8.00 0.22 -0.01 116.55 130.23 2ju5 n ASP 114 Ca -0.14 -1.81 0.09 0.00 0.71 0.00 0.00 54.79 53.64 2ju5 n ASP 114 Cb 0.58 -0.73 0.39 0.00 -0.02 0.00 0.00 41.12 41.35 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 -3.26 1.73 0.91 2.24 0.00 -1.26 -1.70 120.51 119.17 2ju5 n ALA 115 Ca -0.17 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2ju5 n ALA 115 Cb 0.54 -1.31 0.12 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.77 2.35 -0.67 0.00 1.02 -1.26 -4.77 120.64 115.54 2ju5 n GLU 116 Ca 0.03 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 2ju5 n GLU 116 Cb 0.21 -1.47 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 1.37 0.63 3.74 0.62 0.00 -0.69 -5.04 105.19 105.83 2ju5 n GLY 117 Ca 0.15 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.77 4.48 -0.10 1.61 1.02 -1.26 -4.76 119.74 119.96 2ju5 s LYS 118 Ca 0.00 1.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.73 2ju5 s LYS 118 Cb 0.00 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2ju5 s LYS 118 CO 0.00 0.25 1.00 -1.14 -0.92 0.00 0.00 175.35 174.54 2ju5 s GLN 119 N 0.09 4.42 -0.16 1.68 0.74 -1.26 -0.61 119.66 124.56 2ju5 s GLN 119 Ca 0.39 1.38 0.15 0.00 0.05 0.00 0.00 55.36 57.32 2ju5 s GLN 119 Cb -0.20 -3.54 -0.24 0.00 1.10 0.00 0.00 33.01 30.13 2ju5 s GLN 119 CO 0.22 -0.30 0.22 1.28 -0.55 0.00 0.00 175.29 176.16 2ju5 n LEU 120 N 4.97 0.53 -3.61 3.68 4.32 0.43 -4.98 117.00 122.34 2ju5 n LEU 120 Ca 0.08 0.11 -0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2ju5 n LEU 120 Cb 0.49 0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 42.54 2ju5 n LEU 120 CO 0.52 0.51 1.06 0.00 -1.22 0.00 0.00 177.39 178.25 2ju5 s ALA 121 N -2.52 -2.20 -0.10 -1.18 0.00 -1.22 -4.61 121.76 109.93 2ju5 s ALA 121 Ca -0.11 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 2ju5 s ALA 121 Cb 0.07 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2ju5 s ALA 121 CO 0.81 -0.90 0.30 -0.98 0.00 0.00 0.00 175.76 174.99 2ju5 s ARG 122 N -2.40 0.38 0.07 0.00 1.70 -1.26 -0.22 118.95 117.22 2ju5 s ARG 122 Ca 0.13 0.34 -0.08 0.00 -0.47 0.00 0.00 55.73 55.64 2ju5 s ARG 122 Cb 0.03 0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2ju5 s ARG 122 CO -0.04 -0.06 0.17 -1.64 -1.08 0.00 0.00 175.30 172.66 2ju5 s MET 123 N -0.03 0.78 0.00 3.89 -1.94 0.60 -5.00 119.30 117.61 2ju5 s MET 123 Ca -0.02 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 2ju5 s MET 123 Cb -0.03 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.13 2ju5 s MET 123 CO 0.01 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 2ju5 n GLY 124 N 0.17 4.97 3.72 -0.03 0.00 -1.26 0.45 105.19 113.21 2ju5 n GLY 124 Ca -0.16 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 3.08 3.74 -0.06 1.61 5.36 -1.25 -4.88 117.98 125.57 2ju5 s PHE 125 Ca 0.00 1.75 -0.06 0.00 -0.96 0.00 0.00 56.93 57.66 2ju5 s PHE 125 Cb 0.00 -3.08 0.02 0.00 -0.34 0.00 0.00 43.02 39.61 2ju5 s PHE 125 CO 0.00 0.10 0.17 -1.21 -1.46 0.00 0.00 175.22 172.82 2ju5 s GLU 126 N 0.49 0.22 0.61 10.12 2.02 -1.26 -5.12 118.70 125.78 2ju5 s GLU 126 Ca 0.49 0.19 -0.14 0.00 0.02 0.00 0.00 54.97 55.53 2ju5 s GLU 126 Cb -0.22 0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.09 2ju5 s GLU 126 CO 0.29 -0.03 1.05 -1.25 0.02 0.00 0.00 175.26 175.34 2ju5 s PRO 127 N -0.02 3.30 0.00 0.39 0.04 -1.26 -4.45 135.00 133.00 2ju5 s PRO 127 Ca -0.01 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2ju5 s PRO 127 Cb -0.02 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2ju5 s PRO 127 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2ju5 n GLY 128 N -1.40 1.48 0.00 0.56 0.00 -1.26 -4.94 105.19 99.63 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 0.01 0.30 -0.02 0.00 -1.26 -4.29 105.19 99.93 2ju5 n GLY 129 Ca 0.00 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 1.12 0.96 -0.02 0.00 -1.88 -2.41 103.07 100.84 2ju5 h GLY 130 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 2ju5 h GLY 130 CO 0.00 0.62 0.17 0.00 0.00 0.00 0.00 176.54 177.33 2ju5 h ALA 131 N 1.09 0.39 -0.63 3.60 0.00 -1.93 -2.22 119.26 119.56 2ju5 h ALA 131 Ca 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2ju5 h ALA 131 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ju5 h ALA 131 CO -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.26 2ju5 h ALA 132 N 1.05 0.99 -0.58 0.00 0.00 -1.73 -2.76 119.26 116.23 2ju5 h ALA 132 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2ju5 h ALA 132 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2ju5 h ALA 132 CO -0.02 0.64 0.25 -0.92 0.00 0.00 0.00 179.25 179.20 2ju5 h TYR 133 N 0.96 0.86 -0.31 0.00 5.03 -1.21 -2.75 116.97 119.56 2ju5 h TYR 133 Ca 0.19 -0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.36 2ju5 h TYR 133 Cb 0.42 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 2ju5 h TYR 133 CO 0.03 0.68 -0.17 -0.39 -1.32 0.00 0.00 178.16 176.98 2ju5 h VAL 134 N 0.79 1.25 -0.89 1.81 -1.51 -1.31 -2.31 116.25 114.08 2ju5 h VAL 134 Ca 0.20 -1.16 0.02 0.00 -1.23 0.00 0.00 66.70 64.52 2ju5 h VAL 134 Cb 0.16 1.20 -0.05 0.00 -2.13 0.00 0.00 31.29 30.48 2ju5 h VAL 134 CO -0.02 0.38 0.58 0.28 -1.23 0.00 0.00 177.57 177.56 2ju5 h SER 135 N 0.51 1.00 -0.58 4.19 0.02 -1.20 -2.00 113.55 115.48 2ju5 h SER 135 Ca 0.08 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2ju5 h SER 135 Cb 0.59 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2ju5 h SER 135 CO 0.04 0.72 0.05 0.11 -1.14 0.00 0.00 176.83 176.61 2ju5 h LYS 136 N 1.18 0.99 -0.57 3.45 1.57 -1.24 -2.74 116.57 119.21 2ju5 h LYS 136 Ca 0.33 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2ju5 h LYS 136 Cb -0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2ju5 h LYS 136 CO -0.08 0.96 0.06 -0.24 -0.57 0.00 0.00 179.45 179.57 2ju5 h VAL 137 N 0.88 1.25 -0.64 0.50 3.04 -1.09 -1.83 116.25 118.37 2ju5 h VAL 137 Ca 0.17 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2ju5 h VAL 137 Cb 0.48 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 30.48 2ju5 h VAL 137 CO 0.02 0.37 0.42 0.11 -1.01 0.00 0.00 177.57 177.48 2ju5 h LYS 138 N 0.88 0.84 -0.50 4.17 1.57 -1.19 0.74 116.57 123.08 2ju5 h LYS 138 Ca 0.17 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.44 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2ju5 h LYS 138 CO 0.02 0.56 -0.12 0.77 -0.57 0.00 0.00 179.45 180.10 2ju5 h SER 139 N 0.86 0.94 -0.52 0.86 0.02 -1.24 -0.51 113.55 113.97 2ju5 h SER 139 Ca 0.23 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2ju5 h SER 139 Cb -0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 2ju5 h SER 139 CO -0.05 1.06 -0.03 0.00 -1.14 0.00 0.00 176.83 176.68 2ju5 h ALA 140 N 1.02 0.70 -0.01 3.77 0.00 -0.86 -2.89 119.26 121.00 2ju5 h ALA 140 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ju5 h ALA 140 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ju5 h ALA 140 CO 0.05 0.54 -0.12 1.28 0.00 0.00 0.00 179.25 180.99 2ju5 n LEU 141 N -4.27 0.96 -3.26 0.00 4.32 0.21 -4.67 117.00 110.29 2ju5 n LEU 141 Ca 0.01 -0.25 -0.16 0.00 -0.02 0.00 0.00 56.01 55.59 2ju5 n LEU 141 Cb 0.34 -0.09 0.08 0.00 -1.62 0.00 0.00 43.42 42.13 2ju5 n LEU 141 CO 0.43 0.17 0.12 0.29 -1.22 0.00 0.00 177.39 177.18 2ju5 n LYS 142 N -0.50 -6.27 -3.55 3.23 4.76 -0.34 -4.98 118.16 110.50 2ju5 n LYS 142 Ca 0.16 0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 56.00 2ju5 n LYS 142 Cb 0.32 -5.61 -0.10 0.00 -1.84 0.00 0.00 35.03 27.80 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ju5 s LEU 143 N -6.12 4.07 0.00 -0.35 1.02 -0.37 -5.05 118.68 111.88 2ju5 s LEU 143 Ca 0.07 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2ju5 s LEU 143 Cb -0.03 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.96 2ju5 s LEU 143 CO 0.67 -0.04 0.35 0.54 0.02 0.00 0.00 176.35 177.90