#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 h ARG 2 N 0.00 0.40 -0.48 0.00 2.43 -2.10 -3.00 114.38 111.63 2ju5 h ARG 2 Ca 0.00 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2ju5 h ARG 2 Cb 0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2ju5 h ARG 2 CO 0.00 0.49 -0.09 0.00 -1.51 0.00 0.00 179.97 178.86 2ju5 h ARG 3 N 0.24 0.86 -5.96 0.20 3.08 -2.10 -3.43 114.38 107.27 2ju5 h ARG 3 Ca 0.08 -0.29 -0.60 0.00 0.07 0.00 0.00 59.98 59.25 2ju5 h ARG 3 Cb 0.26 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2ju5 h ARG 3 CO -0.00 0.91 -0.16 1.03 -1.07 0.00 0.00 179.97 180.68 2ju5 s ARG 4 N -4.85 4.07 0.21 0.04 0.52 -1.13 -5.09 118.95 112.73 2ju5 s ARG 4 Ca -0.10 0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.63 2ju5 s ARG 4 Cb 0.14 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 2ju5 s ARG 4 CO 0.83 0.54 0.22 0.00 0.02 0.00 0.00 175.30 176.91 2ju5 s ALA 5 N -0.63 3.69 0.29 2.13 0.00 -1.26 -4.74 121.76 121.24 2ju5 s ALA 5 Ca 0.25 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2ju5 s ALA 5 Cb -0.17 -1.45 0.42 0.00 0.00 0.00 0.00 23.12 21.92 2ju5 s ALA 5 CO 0.13 0.37 1.96 0.77 0.00 0.00 0.00 175.76 178.99 2ju5 h SER 6 N 1.81 0.97 -4.41 0.00 0.02 -1.98 -3.41 113.55 106.54 2ju5 h SER 6 Ca -0.49 -0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 59.83 2ju5 h SER 6 Cb 1.22 -0.24 -0.29 0.00 0.14 0.00 0.00 62.40 63.22 2ju5 h SER 6 CO 0.63 0.71 -0.85 -0.83 -1.14 0.00 0.00 176.83 175.34 2ju5 s GLY 7 N -3.28 1.01 0.00 -3.77 0.00 -1.26 -5.02 107.32 95.01 2ju5 s GLY 7 Ca -0.12 -0.90 0.24 0.00 0.00 0.00 0.00 44.72 43.94 2ju5 s GLY 7 CO 0.80 -0.76 1.26 1.18 0.00 0.00 0.00 173.10 175.58 2ju5 n GLU 8 N 2.51 0.93 -0.24 2.90 1.02 -1.26 -4.28 120.64 122.22 2ju5 n GLU 8 Ca -0.15 -0.70 -0.06 0.00 -0.02 0.00 0.00 57.16 56.22 2ju5 n GLU 8 Cb 0.53 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.51 2ju5 n GLU 8 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2ju5 h ASN 9 N 1.71 0.88 -0.69 1.62 -0.26 -1.95 -1.58 115.58 115.31 2ju5 h ASN 9 Ca 0.00 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.58 2ju5 h ASN 9 Cb 0.64 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 2ju5 h ASN 9 CO 0.00 0.77 0.30 -0.07 -1.06 0.00 0.00 177.43 177.37 2ju5 h LEU 10 N 0.94 0.92 -0.60 1.61 3.38 -2.03 -2.93 115.31 116.61 2ju5 h LEU 10 Ca 0.23 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2ju5 h LEU 10 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2ju5 h LEU 10 CO -0.03 0.82 0.14 1.56 0.09 0.00 0.00 178.44 181.02 2ju5 h GLN 11 N 0.96 0.96 -6.76 1.13 4.20 -1.71 -3.43 115.11 110.46 2ju5 h GLN 11 Ca 0.23 -0.23 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2ju5 h GLN 11 Cb 0.16 -0.12 0.06 0.00 0.30 0.00 0.00 27.48 27.88 2ju5 h GLN 11 CO -0.02 0.89 0.77 -0.65 -0.67 0.00 0.00 178.83 179.14 2ju5 s GLN 12 N -5.29 4.25 0.33 1.46 -0.21 -0.63 -4.90 119.66 114.67 2ju5 s GLN 12 Ca -0.12 2.34 0.08 0.00 0.02 0.00 0.00 55.36 57.68 2ju5 s GLN 12 Cb 0.13 -3.09 0.57 0.00 1.00 0.00 0.00 33.01 31.62 2ju5 s GLN 12 CO 0.82 -0.44 1.77 1.79 -2.12 0.00 0.00 175.29 177.11 2ju5 h THR 13 N 3.49 1.28 -5.79 -0.19 1.35 -1.84 -3.48 112.91 107.73 2ju5 h THR 13 Ca -0.46 -1.33 -0.15 0.00 -0.55 0.00 0.00 66.41 63.92 2ju5 h THR 13 Cb 1.22 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2ju5 h THR 13 CO 0.77 0.40 -0.59 0.54 -0.25 0.00 0.00 175.52 176.39 2ju5 n ARG 14 N -4.09 -1.86 -1.77 4.72 1.74 -1.26 -4.89 116.66 109.26 2ju5 n ARG 14 Ca -0.01 1.59 -0.39 0.00 -0.77 0.00 0.00 57.85 58.27 2ju5 n ARG 14 Cb 0.42 -4.47 0.03 0.00 -1.02 0.00 0.00 32.46 27.43 2ju5 n ARG 14 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2ju5 s PRO 15 N -3.06 3.33 -0.02 5.56 0.02 -1.26 -5.03 135.00 134.53 2ju5 s PRO 15 Ca 0.16 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.55 2ju5 s PRO 15 Cb -0.03 -2.41 -0.01 0.00 0.02 0.00 0.00 34.50 32.08 2ju5 s PRO 15 CO 0.81 -1.07 -0.12 -1.50 -0.33 0.00 0.00 177.00 174.78 2ju5 s ILE 16 N -1.25 0.96 0.00 2.83 2.07 -1.26 -5.09 121.20 119.46 2ju5 s ILE 16 Ca 0.68 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 2ju5 s ILE 16 Cb -0.42 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.35 2ju5 s ILE 16 CO 0.52 0.28 0.00 0.00 -1.91 0.00 0.00 174.94 173.83 2ju5 n ALA 17 N 2.94 0.00 -1.77 1.50 0.00 -1.26 -4.65 120.51 117.28 2ju5 n ALA 17 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 2ju5 n ALA 17 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 s ALA 18 N -1.88 3.35 0.29 0.00 0.00 -1.26 -4.90 121.76 117.36 2ju5 s ALA 18 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2ju5 s ALA 18 Cb 0.00 -3.56 0.44 0.00 0.00 0.00 0.00 23.12 20.00 2ju5 s ALA 18 CO 0.00 -1.02 1.83 0.00 0.00 0.00 0.00 175.76 176.57 2ju5 h ALA 19 N 2.66 1.23 -3.55 0.00 0.00 -2.00 -3.49 119.26 114.12 2ju5 h ALA 19 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2ju5 h ALA 19 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ju5 h ALA 19 CO 0.63 0.52 -0.82 0.09 0.00 0.00 0.00 179.25 179.67 2ju5 n ASN 20 N -4.27 -7.26 -4.74 0.00 5.03 -1.26 -4.81 115.26 97.94 2ju5 n ASN 20 Ca 0.03 1.51 -0.41 0.00 0.87 0.00 0.00 54.58 56.58 2ju5 n ASN 20 Cb 0.24 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.34 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2ju5 s LEU 21 N -4.89 4.55 -0.48 3.41 2.96 -1.26 -5.01 118.68 117.96 2ju5 s LEU 21 Ca 0.00 2.06 -0.15 0.00 -0.22 0.00 0.00 54.13 55.82 2ju5 s LEU 21 Cb 0.00 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.16 2ju5 s LEU 21 CO 0.00 -0.08 0.39 -1.10 -1.32 0.00 0.00 176.35 174.24 2ju5 s GLN 22 N -0.80 2.92 0.22 1.98 -0.21 -1.26 -5.06 119.66 117.45 2ju5 s GLN 22 Ca 0.46 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 2ju5 s GLN 22 Cb -0.28 -4.11 -0.08 0.00 1.00 0.00 0.00 33.01 29.53 2ju5 s GLN 22 CO 0.35 -1.07 1.01 -1.58 -2.12 0.00 0.00 175.29 171.87 2ju5 s TRP 23 N 1.60 3.81 0.27 0.91 0.51 -1.26 -4.39 118.94 120.39 2ju5 s TRP 23 Ca 0.04 1.80 0.09 0.00 -2.12 0.00 0.00 56.10 55.90 2ju5 s TRP 23 Cb -0.25 -3.11 -0.05 0.00 -0.81 0.00 0.00 33.47 29.25 2ju5 s TRP 23 CO 0.05 0.02 -0.11 -1.21 -0.51 0.00 0.00 176.95 175.19 2ju5 s GLU 24 N -0.93 1.58 0.63 4.98 2.02 0.19 -5.03 118.70 122.14 2ju5 s GLU 24 Ca 0.44 -1.77 -0.11 0.00 0.02 0.00 0.00 54.97 53.55 2ju5 s GLU 24 Cb -0.27 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 2ju5 s GLU 24 CO 0.34 0.15 1.04 -1.12 0.02 0.00 0.00 175.26 175.69 2ju5 s SER 25 N -3.46 6.16 0.18 -0.19 0.01 -1.26 -4.20 113.70 110.93 2ju5 s SER 25 Ca 0.29 1.40 -0.13 0.00 1.31 0.00 0.00 55.95 58.82 2ju5 s SER 25 Cb 0.01 -2.43 0.08 0.00 0.21 0.00 0.00 66.02 63.89 2ju5 s SER 25 CO 0.12 -0.91 1.81 0.22 0.41 0.00 0.00 173.24 174.89 2ju5 h TYR 26 N -0.35 0.78 -0.39 2.43 5.03 -1.94 0.39 116.97 122.92 2ju5 h TYR 26 Ca -0.44 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 60.74 2ju5 h TYR 26 Cb 1.19 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 2ju5 h TYR 26 CO 0.65 0.54 -0.27 0.00 -1.32 0.00 0.00 178.16 177.75 2ju5 h ALA 27 N 1.17 0.78 -0.48 1.82 0.00 -2.01 -2.97 119.26 117.57 2ju5 h ALA 27 Ca 0.21 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2ju5 h ALA 27 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ju5 h ALA 27 CO -0.04 0.65 -0.11 0.93 0.00 0.00 0.00 179.25 180.68 2ju5 h GLU 28 N 0.71 0.88 -0.63 0.00 4.39 -1.82 -2.93 114.58 115.18 2ju5 h GLU 28 Ca 0.09 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 2ju5 h GLU 28 Cb 0.82 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2ju5 h GLU 28 CO 0.07 0.94 0.24 0.00 -1.16 0.00 0.00 179.01 179.10 2ju5 h ALA 29 N 1.08 0.82 -0.60 3.43 0.00 -0.83 -2.55 119.26 120.60 2ju5 h ALA 29 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 29 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2ju5 h ALA 29 CO 0.04 0.45 0.13 -0.07 0.00 0.00 0.00 179.25 179.80 2ju5 h LEU 30 N 0.89 0.93 -0.66 0.00 3.38 -1.44 0.62 115.31 119.03 2ju5 h LEU 30 Ca 0.21 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2ju5 h LEU 30 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2ju5 h LEU 30 CO -0.01 0.94 0.08 -0.33 0.09 0.00 0.00 178.44 179.20 2ju5 h GLU 31 N 0.89 1.11 -0.32 1.13 5.08 -1.41 0.24 114.58 121.30 2ju5 h GLU 31 Ca 0.19 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2ju5 h GLU 31 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 31 CO 0.01 1.03 -0.08 0.45 -1.00 0.00 0.00 179.01 179.42 2ju5 h HIS 32 N 1.03 0.70 -0.28 4.33 3.86 -1.25 -3.02 115.15 120.53 2ju5 h HIS 32 Ca 0.20 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2ju5 h HIS 32 Cb 0.48 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2ju5 h HIS 32 CO 0.04 0.80 -0.08 0.77 0.86 0.00 0.00 177.93 180.32 2ju5 h SER 33 N 0.40 0.42 -0.10 2.45 0.02 -0.63 1.69 113.55 117.80 2ju5 h SER 33 Ca 0.08 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2ju5 h SER 33 Cb 0.57 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2ju5 h SER 33 CO 0.03 0.54 0.07 0.11 -1.14 0.00 0.00 176.83 176.45 2ju5 h LYS 34 N 0.42 0.04 0.02 3.45 6.56 -0.83 1.87 116.57 128.09 2ju5 h LYS 34 Ca 0.09 -0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.28 2ju5 h LYS 34 Cb 0.40 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.99 2ju5 h LYS 34 CO 0.02 0.03 -2.39 1.04 -2.06 0.00 0.00 179.45 176.09 2ju5 n GLN 35 N -4.51 0.65 0.02 3.15 6.02 -0.32 -4.61 117.38 117.77 2ju5 n GLN 35 Ca -0.01 0.20 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2ju5 n GLN 35 Cb 0.16 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 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 -3.50 0.36 -0.36 1.08 8.00 0.56 -4.98 116.55 117.71 2ju5 n ASP 36 Ca -0.45 -0.06 -0.05 0.00 0.71 0.00 0.00 54.79 54.94 2ju5 n ASP 36 Cb 0.97 1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 43.46 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 -2.22 0.00 -2.21 1.24 8.25 0.63 -4.95 115.22 115.96 2ju5 n HIS 37 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2ju5 n HIS 37 Cb 0.52 -1.70 -0.03 0.00 1.12 0.00 0.00 29.99 29.90 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 -1.94 4.30 0.51 -0.41 -0.14 -1.26 -4.80 119.74 116.00 2ju5 s LYS 38 Ca 0.00 2.00 -0.21 0.00 -1.36 0.00 0.00 55.97 56.40 2ju5 s LYS 38 Cb 0.00 -3.46 -0.08 0.00 -1.68 0.00 0.00 37.83 32.60 2ju5 s LYS 38 CO 0.00 -0.52 0.88 -2.30 -0.76 0.00 0.00 175.35 172.66 2ju5 n PRO 39 N 4.85 1.01 -4.23 -1.68 -0.02 -1.26 -4.62 135.00 129.06 2ju5 n PRO 39 Ca 0.12 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 2ju5 n PRO 39 Cb 0.43 -2.00 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.44 4.00 -0.30 4.25 1.01 0.11 -1.84 121.20 126.98 2ju5 s ILE 40 Ca 0.68 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 2ju5 s ILE 40 Cb -0.49 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2ju5 s ILE 40 CO 0.53 0.46 0.10 -0.83 0.00 0.00 0.00 174.94 175.21 2ju5 s GLY 41 N 0.64 1.81 -0.25 6.18 0.00 -0.62 -1.38 107.32 113.69 2ju5 s GLY 41 Ca -0.01 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.15 2ju5 s GLY 41 CO 0.02 0.66 0.35 1.08 0.00 0.00 0.00 173.10 175.21 2ju5 s LEU 42 N 1.54 4.07 -0.48 0.66 1.02 -0.95 -1.72 118.68 122.82 2ju5 s LEU 42 Ca 0.03 0.31 -0.19 0.00 0.02 0.00 0.00 54.13 54.31 2ju5 s LEU 42 Cb -0.17 -2.41 0.05 0.00 0.02 0.00 0.00 46.19 43.68 2ju5 s LEU 42 CO 0.04 -0.13 0.59 0.12 0.02 0.00 0.00 176.35 176.98 2ju5 s PHE 43 N 1.81 3.08 -0.25 0.29 5.36 -0.16 -2.94 117.98 125.17 2ju5 s PHE 43 Ca 0.15 -0.48 -0.14 0.00 -0.96 0.00 0.00 56.93 55.50 2ju5 s PHE 43 Cb -0.15 -3.39 -0.04 0.00 -0.34 0.00 0.00 43.02 39.09 2ju5 s PHE 43 CO 0.09 -0.95 0.34 -0.06 -1.46 0.00 0.00 175.22 173.18 2ju5 s PHE 44 N 2.52 3.28 0.18 10.12 0.08 -0.87 -0.70 117.98 132.60 2ju5 s PHE 44 Ca 0.15 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.55 2ju5 s PHE 44 Cb -0.19 -2.51 0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2ju5 s PHE 44 CO 0.13 -0.15 0.33 0.25 -0.10 0.00 0.00 175.22 175.68 2ju5 n THR 45 N 4.87 0.00 -3.66 0.64 -2.24 -0.92 -2.66 114.28 110.30 2ju5 n THR 45 Ca -0.10 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 2ju5 n THR 45 Cb 0.51 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.01 1.59 0.37 3.38 0.00 -1.26 -0.78 107.32 108.60 2ju5 s GLY 46 Ca 0.10 -2.54 0.10 0.00 0.00 0.00 0.00 44.72 42.38 2ju5 s GLY 46 CO 0.07 1.64 1.88 1.76 0.00 0.00 0.00 173.10 178.45 2ju5 h SER 47 N 6.63 0.60 -0.02 1.64 0.02 -1.88 -0.50 113.55 120.05 2ju5 h SER 47 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.92 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.45 0.31 -0.32 0.47 -1.14 0.00 0.00 176.83 176.60 2ju5 n ASP 48 N -4.54 1.94 0.00 3.07 8.00 -1.26 -4.72 116.55 119.04 2ju5 n ASP 48 Ca 0.16 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.19 2ju5 n ASP 48 Cb 0.47 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.13 0.00 -3.26 1.24 4.27 -1.10 -4.87 117.44 113.85 2ju5 n TRP 49 Ca 0.08 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 2ju5 n TRP 49 Cb 0.41 0.00 -0.08 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 h MET 51 N 8.40 0.56 0.00 0.00 4.05 -1.96 -2.80 114.93 123.18 2ju5 h MET 51 Ca -0.28 -0.55 -0.02 0.00 -0.28 0.00 0.00 59.70 58.57 2ju5 h MET 51 Cb 1.13 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2ju5 h MET 51 CO 0.76 1.17 -0.08 -1.49 0.23 0.00 0.00 176.91 177.50 2ju5 h TRP 52 N 0.15 0.00 -0.10 1.39 6.55 -1.93 -1.43 115.95 120.58 2ju5 h TRP 52 Ca -0.08 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.57 2ju5 h TRP 52 Cb 1.39 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.70 2ju5 h TRP 52 CO 0.12 0.08 -0.68 0.00 -1.05 0.00 0.00 178.44 176.91 2ju5 h ILE 54 N 0.28 1.14 -0.59 0.00 2.04 -1.03 0.18 117.51 119.53 2ju5 h ILE 54 Ca -0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ju5 h ILE 54 Cb 1.33 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2ju5 h ILE 54 CO 0.14 0.18 0.35 0.11 0.00 0.00 0.00 178.15 178.92 2ju5 h LYS 55 N 0.96 0.81 -0.54 2.37 1.79 -1.18 0.35 116.57 121.12 2ju5 h LYS 55 Ca 0.29 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 2ju5 h LYS 55 Cb -0.04 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2ju5 h LYS 55 CO -0.09 0.59 0.26 1.98 -1.08 0.00 0.00 179.45 181.11 2ju5 h MET 56 N 0.80 0.77 -0.05 3.15 4.05 -0.37 0.50 114.93 123.78 2ju5 h MET 56 Ca 0.21 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2ju5 h MET 56 Cb -0.00 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 2ju5 h MET 56 CO -0.04 0.63 0.01 1.96 0.23 0.00 0.00 176.91 179.70 2ju5 h GLN 57 N 0.72 0.09 -0.45 0.39 4.20 -0.59 0.16 115.11 119.63 2ju5 h GLN 57 Ca 0.19 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 2ju5 h GLN 57 Cb 0.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2ju5 h GLN 57 CO -0.02 0.32 -0.27 0.22 -0.67 0.00 0.00 178.83 178.41 2ju5 h ASP 58 N -0.17 1.02 0.70 1.46 1.82 -0.16 -0.18 116.42 120.92 2ju5 h ASP 58 Ca 0.02 -0.42 -0.20 0.00 -0.39 0.00 0.00 57.03 56.04 2ju5 h ASP 58 Cb 0.28 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 2ju5 h ASP 58 CO 0.00 1.22 -1.42 1.56 -1.61 0.00 0.00 179.24 178.99 2ju5 h GLN 59 N 0.83 0.00 0.00 0.28 4.20 -0.02 -3.40 115.11 116.99 2ju5 h GLN 59 Ca 0.09 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2ju5 h GLN 59 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2ju5 h GLN 59 CO 0.08 0.38 -0.75 -0.89 -0.67 0.00 0.00 178.83 176.98 2ju5 n ILE 60 N -2.97 0.76 -0.27 2.54 5.41 0.51 -3.42 119.36 121.92 2ju5 n ILE 60 Ca -0.11 0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.73 2ju5 n ILE 60 Cb 0.90 -1.64 0.10 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.18 1.05 -0.70 1.39 -0.00 -1.33 -2.19 115.31 113.36 2ju5 h LEU 61 Ca -0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2ju5 h LEU 61 Cb 0.66 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2ju5 h LEU 61 CO -0.04 0.93 0.00 0.00 -0.00 0.00 0.00 178.44 179.33 2ju5 n GLN 62 N -4.28 1.47 -2.75 1.13 6.02 -0.09 -4.37 117.38 114.52 2ju5 n GLN 62 Ca 0.07 -0.69 -0.33 0.00 -0.01 0.00 0.00 57.00 56.03 2ju5 n GLN 62 Cb 0.18 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ju5 s SER 63 N -1.79 6.78 0.20 1.08 0.01 -0.82 -4.93 113.70 114.23 2ju5 s SER 63 Ca 0.36 1.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.26 2ju5 s SER 63 Cb 0.19 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 64.01 2ju5 s SER 63 CO 0.30 -0.47 1.85 0.28 0.41 0.00 0.00 173.24 175.61 2ju5 h SER 64 N 1.81 0.71 -0.58 2.44 0.02 -1.90 -1.53 113.55 114.51 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 1.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2ju5 h SER 64 CO 0.60 0.50 0.26 -0.33 -1.14 0.00 0.00 176.83 176.73 2ju5 h GLU 65 N 0.84 0.86 -0.52 3.45 4.39 -1.91 -1.64 114.58 120.04 2ju5 h GLU 65 Ca 0.25 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2ju5 h GLU 65 Cb -0.04 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2ju5 h GLU 65 CO -0.08 0.71 0.04 0.35 -1.16 0.00 0.00 179.01 178.87 2ju5 h PHE 66 N 0.80 0.97 -0.48 4.33 3.57 -1.72 -0.63 116.94 123.78 2ju5 h PHE 66 Ca 0.20 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2ju5 h PHE 66 Cb 0.15 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2ju5 h PHE 66 CO 0.00 0.89 0.30 0.87 -2.23 0.00 0.00 178.31 178.14 2ju5 h LYS 67 N 0.78 0.58 -0.20 1.11 1.57 -1.04 0.30 116.57 119.68 2ju5 h LYS 67 Ca 0.15 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2ju5 h LYS 67 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2ju5 h LYS 67 CO 0.02 0.39 -0.08 1.25 -0.57 0.00 0.00 179.45 180.46 2ju5 h HIS 68 N 0.60 0.46 0.02 -1.35 2.76 -1.17 0.13 115.15 116.60 2ju5 h HIS 68 Ca 0.19 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2ju5 h HIS 68 Cb -0.02 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2ju5 h HIS 68 CO -0.06 0.68 -0.01 0.35 -1.30 0.00 0.00 177.93 177.60 2ju5 h PHE 69 N 0.11 -0.02 -0.33 5.26 3.57 -0.88 -2.33 116.94 122.33 2ju5 h PHE 69 Ca 0.05 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 2ju5 h PHE 69 Cb 0.55 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2ju5 h PHE 69 CO 0.06 0.08 -0.28 0.00 -2.23 0.00 0.00 178.31 175.93 2ju5 h ALA 70 N 0.86 0.90 -0.43 2.41 0.00 -0.41 0.31 119.26 122.90 2ju5 h ALA 70 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2ju5 h ALA 70 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ju5 h ALA 70 CO 0.00 0.62 0.03 0.78 0.00 0.00 0.00 179.25 180.69 2ju5 h GLY 71 N 0.99 0.74 0.41 0.00 0.00 -0.66 0.15 103.07 104.70 2ju5 h GLY 71 Ca 0.07 -0.45 -0.24 0.00 0.00 0.00 0.00 47.33 46.71 2ju5 h GLY 71 CO 0.06 0.42 -1.25 -2.08 0.00 0.00 0.00 176.54 173.69 2ju5 h VAL 72 N 0.65 1.08 -0.01 4.60 2.07 -1.23 -3.42 116.25 120.00 2ju5 h VAL 72 Ca 0.14 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2ju5 h VAL 72 Cb 0.36 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2ju5 h VAL 72 CO 0.01 0.63 -0.25 1.41 0.02 0.00 0.00 177.57 179.39 2ju5 n HIS 73 N -4.07 0.00 -4.18 1.57 -0.00 0.11 -5.06 115.22 103.58 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 0.82 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.71 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 -1.79 1.64 -0.18 2.41 1.02 0.53 -4.13 118.68 118.19 2ju5 s LEU 74 Ca 0.12 -1.26 -0.02 0.00 0.02 0.00 0.00 54.13 52.99 2ju5 s LEU 74 Cb 0.11 0.26 -0.01 0.00 0.02 0.00 0.00 46.19 46.58 2ju5 s LEU 74 CO 0.32 -0.74 -0.11 -1.00 0.02 0.00 0.00 176.35 174.85 2ju5 s HIS 75 N -4.02 2.87 -0.15 0.29 3.76 -0.77 -4.52 115.29 112.76 2ju5 s HIS 75 Ca 0.29 -0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 54.16 2ju5 s HIS 75 Cb 0.07 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 2ju5 s HIS 75 CO 0.05 -0.48 0.09 1.41 -0.85 0.00 0.00 174.74 174.97 2ju5 s MET 76 N 1.03 3.69 -0.07 1.40 1.75 -1.26 -1.60 119.30 124.24 2ju5 s MET 76 Ca -0.01 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.21 2ju5 s MET 76 Cb -0.15 -3.18 0.01 0.00 2.84 0.00 0.00 34.83 34.35 2ju5 s MET 76 CO -0.02 0.51 -0.17 0.08 -0.65 0.00 0.00 175.02 174.78 2ju5 s VAL 77 N -0.29 1.46 -0.22 10.11 1.01 -0.70 -0.63 120.40 131.15 2ju5 s VAL 77 Ca 0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2ju5 s VAL 77 Cb -0.12 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2ju5 s VAL 77 CO 0.01 0.43 0.22 -0.70 0.00 0.00 0.00 175.10 175.06 2ju5 s GLU 78 N 0.42 4.14 -0.39 2.72 2.12 -1.26 -0.99 118.70 125.46 2ju5 s GLU 78 Ca -0.13 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2ju5 s GLU 78 Cb -0.15 -3.50 0.12 0.00 0.26 0.00 0.00 34.13 30.85 2ju5 s GLU 78 CO 0.05 0.10 0.16 0.08 -0.54 0.00 0.00 175.26 175.11 2ju5 s VAL 79 N 0.92 1.53 0.01 3.70 1.01 0.13 -4.92 120.40 122.77 2ju5 s VAL 79 Ca 0.11 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.86 2ju5 s VAL 79 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2ju5 s VAL 79 CO 0.04 -0.77 0.00 1.51 0.00 0.00 0.00 175.10 175.89 2ju5 s ASP 80 N 0.76 5.12 -0.63 3.32 -4.77 -1.26 -2.16 116.67 117.06 2ju5 s ASP 80 Ca 0.14 -0.02 0.06 0.00 -3.30 0.00 0.00 52.55 49.42 2ju5 s ASP 80 Cb -0.22 -1.33 0.21 0.00 -1.09 0.00 0.00 42.92 40.50 2ju5 s ASP 80 CO -0.09 0.27 0.60 0.49 0.70 0.00 0.00 175.17 177.14 2ju5 n PHE 81 N 1.30 2.76 -1.47 2.11 3.72 0.04 -4.96 117.46 120.96 2ju5 n PHE 81 Ca -0.14 -4.10 -0.31 0.00 -0.05 0.00 0.00 57.45 52.86 2ju5 n PHE 81 Cb 0.53 -0.50 0.07 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.76 2.51 0.08 -1.08 0.04 -1.26 -4.44 135.00 129.08 2ju5 s PRO 82 Ca 0.33 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 2ju5 s PRO 82 Cb 0.07 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 2ju5 s PRO 82 CO -0.10 -1.40 1.30 1.96 0.04 0.00 0.00 177.00 178.81 2ju5 h GLN 83 N -0.94 0.68 -4.10 4.56 4.20 -1.96 -3.37 115.11 114.19 2ju5 h GLN 83 Ca -0.45 -0.51 -0.76 0.00 0.06 0.00 0.00 58.65 57.00 2ju5 h GLN 83 Cb 1.23 0.09 -0.24 0.00 0.30 0.00 0.00 27.48 28.86 2ju5 h GLN 83 CO 0.56 1.13 -0.23 0.21 -0.67 0.00 0.00 178.83 179.83 2ju5 s LYS 84 N -3.86 2.97 -0.19 1.46 2.20 -1.26 -5.03 119.74 116.03 2ju5 s LYS 84 Ca -0.12 -1.71 -0.21 0.00 -0.36 0.00 0.00 55.97 53.57 2ju5 s LYS 84 Cb 0.08 -4.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.08 2ju5 s LYS 84 CO 0.86 -1.33 0.66 1.21 -0.36 0.00 0.00 175.35 176.39 2ju5 s ASN 85 N 3.57 6.73 -0.03 1.43 3.84 -1.26 -4.89 114.94 124.32 2ju5 s ASN 85 Ca 0.03 0.89 0.05 0.00 0.21 0.00 0.00 52.86 54.03 2ju5 s ASN 85 Cb -0.30 -2.36 0.07 0.00 -0.55 0.00 0.00 41.25 38.11 2ju5 s ASN 85 CO 0.03 -0.29 0.91 1.41 -2.79 0.00 0.00 177.10 176.37 2ju5 n HIS 86 N 5.06 0.00 -2.80 0.43 8.25 -1.26 -5.06 115.22 119.83 2ju5 n HIS 86 Ca -0.01 -0.40 -0.33 0.00 -0.26 0.00 0.00 57.72 56.73 2ju5 n HIS 86 Cb 0.50 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.02 4.11 0.66 -0.41 -1.52 -1.26 -5.04 119.66 115.19 2ju5 s GLN 87 Ca 0.08 0.97 -0.16 0.00 -1.95 0.00 0.00 55.36 54.31 2ju5 s GLN 87 Cb 0.07 -2.23 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 2ju5 s GLN 87 CO 0.01 -0.04 1.14 -1.25 -0.25 0.00 0.00 175.29 174.89 2ju5 s PRO 88 N -3.34 2.72 0.21 2.91 0.04 -1.26 -4.76 135.00 131.52 2ju5 s PRO 88 Ca 0.59 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 2ju5 s PRO 88 Cb -0.09 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.80 2ju5 s PRO 88 CO 0.18 -1.33 1.68 0.93 0.04 0.00 0.00 177.00 178.50 2ju5 h GLU 89 N 0.12 0.16 -0.92 4.56 5.08 -1.99 -0.85 114.58 120.74 2ju5 h GLU 89 Ca -0.47 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2ju5 h GLU 89 Cb 1.26 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2ju5 h GLU 89 CO 0.53 0.11 0.60 0.93 -1.00 0.00 0.00 179.01 180.18 2ju5 h GLU 90 N 0.17 1.03 -0.28 2.33 5.08 -2.00 -0.07 114.58 120.84 2ju5 h GLU 90 Ca 0.31 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 2ju5 h GLU 90 Cb 0.49 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ju5 h GLU 90 CO -0.47 0.68 -0.54 0.37 -1.00 0.00 0.00 179.01 178.06 2ju5 h GLN 91 N 1.07 0.84 -0.54 2.33 5.75 -1.62 -2.28 115.11 120.65 2ju5 h GLN 91 Ca 0.39 -0.53 -0.06 0.00 -0.15 0.00 0.00 58.65 58.31 2ju5 h GLN 91 Cb 0.16 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2ju5 h GLN 91 CO -0.14 1.16 0.12 0.00 -2.65 0.00 0.00 178.83 177.32 2ju5 h ARG 92 N 0.65 0.88 -0.27 1.69 3.08 -0.40 -1.25 114.38 118.75 2ju5 h ARG 92 Ca 0.02 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2ju5 h ARG 92 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2ju5 h ARG 92 CO 0.12 0.83 0.11 1.96 -1.07 0.00 0.00 179.97 181.92 2ju5 h GLN 93 N 0.77 0.41 -0.59 0.04 4.20 -1.01 -2.07 115.11 116.86 2ju5 h GLN 93 Ca 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2ju5 h GLN 93 Cb 0.36 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2ju5 h GLN 93 CO 0.00 0.44 0.34 -0.22 -0.67 0.00 0.00 178.83 178.72 2ju5 h LYS 94 N 0.29 0.81 -0.91 1.46 3.64 -1.30 -1.63 116.57 118.94 2ju5 h LYS 94 Ca 0.09 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2ju5 h LYS 94 Cb 0.18 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2ju5 h LYS 94 CO -0.01 0.60 0.60 -0.91 -2.27 0.00 0.00 179.45 177.47 2ju5 h ASN 95 N 0.80 1.04 -0.46 4.20 2.35 -1.06 -0.49 115.58 121.96 2ju5 h ASN 95 Ca 0.21 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2ju5 h ASN 95 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2ju5 h ASN 95 CO -0.04 0.75 -0.13 1.56 -1.65 0.00 0.00 177.43 177.92 2ju5 h GLN 96 N 1.22 0.95 -0.54 0.81 4.20 -1.00 0.05 115.11 120.79 2ju5 h GLN 96 Ca 0.33 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2ju5 h GLN 96 Cb -0.14 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2ju5 h GLN 96 CO -0.07 1.02 0.26 1.49 -0.67 0.00 0.00 178.83 180.85 2ju5 h GLU 97 N 0.84 0.79 -0.66 1.46 4.81 -0.71 -0.25 114.58 120.85 2ju5 h GLU 97 Ca 0.13 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2ju5 h GLU 97 Cb 0.68 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2ju5 h GLU 97 CO 0.05 0.65 0.08 -0.07 -0.73 0.00 0.00 179.01 178.99 2ju5 h LEU 98 N 0.73 1.07 -0.95 1.64 4.07 -0.91 1.31 115.31 122.26 2ju5 h LEU 98 Ca 0.19 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 2ju5 h LEU 98 Cb 0.13 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 2ju5 h LEU 98 CO -0.02 1.07 0.45 0.50 -1.08 0.00 0.00 178.44 179.36 2ju5 h LYS 99 N 1.03 1.19 0.19 1.13 3.64 -0.55 -0.04 116.57 123.16 2ju5 h LYS 99 Ca 0.20 -0.14 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 2ju5 h LYS 99 Cb 0.47 -0.23 0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2ju5 h LYS 99 CO 0.02 0.88 -1.52 0.00 -2.27 0.00 0.00 179.45 176.56 2ju5 h ALA 100 N 1.30 0.04 -0.64 5.00 0.00 -0.60 0.17 119.26 124.53 2ju5 h ALA 100 Ca 0.30 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2ju5 h ALA 100 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ju5 h ALA 100 CO -0.05 0.91 0.13 0.37 0.00 0.00 0.00 179.25 180.61 2ju5 h GLN 101 N 0.11 1.03 -0.25 0.00 4.15 0.19 -2.21 115.11 118.14 2ju5 h GLN 101 Ca -0.25 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2ju5 h GLN 101 Cb 2.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.65 2ju5 h GLN 101 CO 0.22 0.93 0.00 0.66 -1.93 0.00 0.00 178.83 178.71 2ju5 n TYR 102 N -4.23 0.33 -3.82 3.99 4.02 -0.05 -4.92 117.16 112.49 2ju5 n TYR 102 Ca 0.05 -0.17 -0.25 0.00 -0.01 0.00 0.00 57.90 57.52 2ju5 n TYR 102 Cb 0.27 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.61 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 0.40 -4.99 -3.10 -0.72 5.02 -0.83 -4.92 118.16 109.01 2ju5 n LYS 103 Ca 0.14 0.59 -0.40 0.00 -2.02 0.00 0.00 58.31 56.62 2ju5 n LYS 103 Cb 0.31 -5.24 -0.05 0.00 -0.02 0.00 0.00 35.03 30.02 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 -3.55 5.03 -0.00 -0.18 1.01 0.59 -4.91 120.40 118.39 2ju5 s VAL 104 Ca 0.28 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 2ju5 s VAL 104 Cb -0.14 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2ju5 s VAL 104 CO 0.83 0.15 -0.03 0.35 0.00 0.00 0.00 175.10 176.39 2ju5 n THR 105 N 4.46 0.39 -4.11 3.92 -2.24 -1.26 -4.75 114.28 110.69 2ju5 n THR 105 Ca -0.01 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.56 2ju5 n THR 105 Cb 0.50 -1.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.11 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 -4.83 1.73 0.16 3.38 0.00 -1.26 -5.13 107.32 101.36 2ju5 s GLY 106 Ca -0.03 -1.24 0.07 0.00 0.00 0.00 0.00 44.72 43.51 2ju5 s GLY 106 CO 0.04 -1.25 -0.14 -0.11 0.00 0.00 0.00 173.10 171.64 2ju5 s PHE 107 N -1.73 1.55 0.30 1.90 -0.71 -1.26 -4.28 117.98 113.75 2ju5 s PHE 107 Ca 0.30 -0.57 -0.23 0.00 -1.04 0.00 0.00 56.93 55.39 2ju5 s PHE 107 Cb -0.10 -0.77 -0.09 0.00 -1.21 0.00 0.00 43.02 40.85 2ju5 s PHE 107 CO 0.22 0.23 0.85 -1.25 -1.34 0.00 0.00 175.22 173.94 2ju5 s PRO 108 N -3.14 4.39 -0.02 1.99 0.04 -1.26 -4.85 135.00 132.15 2ju5 s PRO 108 Ca 0.15 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.29 2ju5 s PRO 108 Cb -0.03 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.81 2ju5 s PRO 108 CO 0.04 0.28 0.04 -1.21 0.04 0.00 0.00 177.00 176.19 2ju5 s GLU 109 N -2.22 -0.03 -0.19 4.56 2.02 -1.09 -3.83 118.70 117.93 2ju5 s GLU 109 Ca 0.49 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.66 2ju5 s GLU 109 Cb -0.16 -0.23 -0.00 0.00 0.10 0.00 0.00 34.13 33.84 2ju5 s GLU 109 CO 0.21 -0.16 -0.11 -1.17 0.02 0.00 0.00 175.26 174.05 2ju5 s LEU 110 N 1.01 2.63 -0.12 1.80 0.20 0.26 -2.04 118.68 122.42 2ju5 s LEU 110 Ca -0.08 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.29 2ju5 s LEU 110 Cb -0.12 -1.63 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2ju5 s LEU 110 CO -0.03 0.03 -0.16 0.68 -0.29 0.00 0.00 176.35 176.59 2ju5 s VAL 111 N 1.15 2.83 -0.22 1.68 -7.23 -1.15 0.12 120.40 117.58 2ju5 s VAL 111 Ca 0.01 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 2ju5 s VAL 111 Cb -0.14 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2ju5 s VAL 111 CO -0.04 0.53 0.15 -0.36 -0.31 0.00 0.00 175.10 175.08 2ju5 s PHE 112 N 0.30 3.36 0.14 2.82 0.08 0.13 -2.24 117.98 122.58 2ju5 s PHE 112 Ca -0.12 0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.25 2ju5 s PHE 112 Cb -0.16 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2ju5 s PHE 112 CO 0.06 0.16 -0.08 0.96 -0.10 0.00 0.00 175.22 176.23 2ju5 s ILE 113 N 0.76 0.99 0.50 0.64 -4.36 -0.48 -0.83 121.20 118.42 2ju5 s ILE 113 Ca 0.08 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2ju5 s ILE 113 Cb -0.12 -1.86 0.10 0.00 1.25 0.00 0.00 42.46 41.82 2ju5 s ILE 113 CO 0.02 -0.73 0.68 0.47 0.24 0.00 0.00 174.94 175.62 2ju5 n ASP 114 N -0.18 0.92 0.10 4.36 8.00 -0.44 0.05 116.55 129.37 2ju5 n ASP 114 Ca -0.10 -1.78 0.11 0.00 0.71 0.00 0.00 54.79 53.73 2ju5 n ASP 114 Cb 0.61 -0.44 0.45 0.00 -0.02 0.00 0.00 41.12 41.72 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 -2.94 1.64 1.02 2.24 0.00 -1.26 -1.68 120.51 119.53 2ju5 n ALA 115 Ca -0.11 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2ju5 n ALA 115 Cb 0.40 -1.35 0.15 0.00 0.00 0.00 0.00 19.45 18.65 2ju5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ju5 n GLU 116 N -2.06 2.27 -0.66 0.00 1.02 -1.26 -4.80 120.64 115.16 2ju5 n GLU 116 Ca 0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.31 2ju5 n GLU 116 Cb 0.21 -1.46 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 1.34 0.63 3.75 0.62 0.00 -0.68 -5.04 105.19 105.80 2ju5 n GLY 117 Ca 0.15 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2ju5 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ju5 s LYS 118 N -0.90 4.64 -0.16 1.61 1.02 -1.26 -4.76 119.74 119.93 2ju5 s LYS 118 Ca 0.00 1.28 -0.29 0.00 0.02 0.00 0.00 55.97 56.98 2ju5 s LYS 118 Cb 0.00 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2ju5 s LYS 118 CO 0.00 0.37 1.01 -1.14 -0.92 0.00 0.00 175.35 174.68 2ju5 s GLN 119 N -0.49 4.35 -0.20 1.68 0.74 -1.26 -1.33 119.66 123.14 2ju5 s GLN 119 Ca 0.41 1.36 0.17 0.00 0.05 0.00 0.00 55.36 57.35 2ju5 s GLN 119 Cb -0.23 -3.59 -0.24 0.00 1.10 0.00 0.00 33.01 30.05 2ju5 s GLN 119 CO 0.27 -0.45 0.06 1.28 -0.55 0.00 0.00 175.29 175.90 2ju5 n LEU 120 N 5.59 0.10 -3.60 3.68 4.77 -0.01 -4.99 117.00 122.53 2ju5 n LEU 120 Ca 0.10 -0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2ju5 n LEU 120 Cb 0.48 0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 2ju5 n LEU 120 CO 0.52 0.51 1.16 0.00 -1.33 0.00 0.00 177.39 178.24 2ju5 s ALA 121 N -2.48 -2.32 -0.07 -1.18 0.00 -1.22 -4.72 121.76 109.78 2ju5 s ALA 121 Ca -0.11 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 2ju5 s ALA 121 Cb 0.06 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.24 2ju5 s ALA 121 CO 0.81 -0.85 0.37 -0.98 0.00 0.00 0.00 175.76 175.11 2ju5 s ARG 122 N -2.15 0.63 0.07 0.00 1.70 -1.26 0.20 118.95 118.14 2ju5 s ARG 122 Ca 0.13 0.11 -0.06 0.00 -0.47 0.00 0.00 55.73 55.44 2ju5 s ARG 122 Cb 0.04 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 2ju5 s ARG 122 CO -0.05 -0.15 0.11 -1.64 -1.08 0.00 0.00 175.30 172.50 2ju5 s MET 123 N -0.77 0.74 0.00 3.89 -1.94 0.12 -4.99 119.30 116.35 2ju5 s MET 123 Ca -0.09 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2ju5 s MET 123 Cb -0.04 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.09 2ju5 s MET 123 CO 0.03 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.25 2ju5 n GLY 124 N 0.09 5.05 3.71 -0.03 0.00 -1.26 0.93 105.19 113.68 2ju5 n GLY 124 Ca -0.15 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 2.87 3.66 -0.15 1.61 5.36 -1.25 -4.86 117.98 125.21 2ju5 s PHE 125 Ca 0.00 1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.53 2ju5 s PHE 125 Cb 0.00 -3.03 0.07 0.00 -0.34 0.00 0.00 43.02 39.72 2ju5 s PHE 125 CO 0.00 0.04 0.21 -2.00 -1.46 0.00 0.00 175.22 172.01 2ju5 s GLU 126 N 0.83 0.13 0.94 10.12 2.56 -1.26 -5.11 118.70 126.91 2ju5 s GLU 126 Ca 0.48 0.44 -0.12 0.00 0.00 0.00 0.00 54.97 55.77 2ju5 s GLU 126 Cb -0.20 -0.65 0.06 0.00 2.00 0.00 0.00 34.13 35.34 2ju5 s GLU 126 CO 0.26 -0.46 0.60 -2.30 -0.56 0.00 0.00 175.26 172.79 2ju5 n PRO 127 N 5.33 -0.32 0.00 4.30 -0.02 -1.26 -4.35 135.00 138.68 2ju5 n PRO 127 Ca -0.05 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2ju5 n PRO 127 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2ju5 n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ju5 n GLY 128 N 1.20 1.45 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.39 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 -0.06 0.22 -0.02 0.00 -1.26 -4.29 105.19 99.77 2ju5 n GLY 129 Ca 0.00 -1.92 -0.10 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 0.75 0.85 -0.02 0.00 -1.88 -2.29 103.07 100.49 2ju5 h GLY 130 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.85 2ju5 h GLY 130 CO 0.00 0.46 0.05 0.00 0.00 0.00 0.00 176.54 177.05 2ju5 h ALA 131 N 0.94 0.19 -0.56 3.60 0.00 -1.92 -1.89 119.26 119.62 2ju5 h ALA 131 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2ju5 h ALA 131 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2ju5 h ALA 131 CO 0.01 -0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.03 2ju5 h ALA 132 N 1.11 1.22 -0.68 0.00 0.00 -1.74 -2.84 119.26 116.34 2ju5 h ALA 132 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2ju5 h ALA 132 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ju5 h ALA 132 CO -0.08 0.55 0.34 -0.92 0.00 0.00 0.00 179.25 179.13 2ju5 h TYR 133 N 0.82 0.97 -0.53 0.00 3.20 -0.87 -2.78 116.97 117.78 2ju5 h TYR 133 Ca 0.18 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2ju5 h TYR 133 Cb 0.27 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2ju5 h TYR 133 CO 0.02 0.71 0.03 -0.39 -1.64 0.00 0.00 178.16 176.89 2ju5 h VAL 134 N 0.94 1.25 -0.85 1.81 -1.51 -1.13 -2.19 116.25 114.57 2ju5 h VAL 134 Ca 0.23 -1.01 0.02 0.00 -1.23 0.00 0.00 66.70 64.71 2ju5 h VAL 134 Cb 0.10 0.82 -0.04 0.00 -2.13 0.00 0.00 31.29 30.03 2ju5 h VAL 134 CO -0.03 0.36 0.56 -1.28 -1.23 0.00 0.00 177.57 175.95 2ju5 h SER 135 N 0.82 0.96 -0.52 4.19 0.87 -1.31 -1.76 113.55 116.79 2ju5 h SER 135 Ca 0.16 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2ju5 h SER 135 Cb 0.45 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2ju5 h SER 135 CO 0.02 0.69 0.15 0.11 -0.53 0.00 0.00 176.83 177.27 2ju5 h LYS 136 N 1.13 0.82 -0.65 2.24 1.79 -1.26 -2.53 116.57 118.11 2ju5 h LYS 136 Ca 0.32 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2ju5 h LYS 136 Cb -0.09 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2ju5 h LYS 136 CO -0.08 0.76 0.08 -0.24 -1.08 0.00 0.00 179.45 178.89 2ju5 h VAL 137 N 0.72 1.26 -0.68 0.50 3.04 -1.10 -1.05 116.25 118.95 2ju5 h VAL 137 Ca 0.17 -1.07 0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2ju5 h VAL 137 Cb 0.29 0.69 -0.04 0.00 -2.01 0.00 0.00 31.29 30.22 2ju5 h VAL 137 CO -0.00 0.40 0.44 0.11 -1.01 0.00 0.00 177.57 177.51 2ju5 h LYS 138 N 1.01 0.87 -0.47 4.17 1.57 -1.19 0.38 116.57 122.91 2ju5 h LYS 138 Ca 0.19 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2ju5 h LYS 138 Cb 0.48 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2ju5 h LYS 138 CO 0.02 0.58 -0.14 0.66 -0.57 0.00 0.00 179.45 180.00 2ju5 h SER 139 N 0.90 0.89 -0.48 0.86 4.64 -1.22 -0.32 113.55 118.83 2ju5 h SER 139 Ca 0.26 -0.29 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 2ju5 h SER 139 Cb -0.07 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 2ju5 h SER 139 CO -0.07 1.03 -0.20 0.00 -0.87 0.00 0.00 176.83 176.72 2ju5 h ALA 140 N 1.05 0.66 -0.01 5.18 0.00 -0.40 -3.01 119.26 122.73 2ju5 h ALA 140 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ju5 h ALA 140 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ju5 h ALA 140 CO 0.05 0.64 -0.10 1.28 0.00 0.00 0.00 179.25 181.11 2ju5 n LEU 141 N -4.15 1.00 -3.27 0.00 4.32 0.12 -4.61 117.00 110.42 2ju5 n LEU 141 Ca -0.00 -0.27 -0.17 0.00 -0.02 0.00 0.00 56.01 55.54 2ju5 n LEU 141 Cb 0.44 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2ju5 n LEU 141 CO 0.46 0.18 0.14 0.29 -1.22 0.00 0.00 177.39 177.23 2ju5 n LYS 142 N -0.43 -6.44 -3.46 3.23 4.01 -0.25 -4.99 118.16 109.84 2ju5 n LYS 142 Ca 0.16 0.78 -0.38 0.00 -0.51 0.00 0.00 58.31 58.36 2ju5 n LYS 142 Cb 0.31 -5.61 -0.08 0.00 -0.51 0.00 0.00 35.03 29.14 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ju5 s LEU 143 N -6.23 4.12 0.00 -0.35 1.02 -0.51 -5.05 118.68 111.69 2ju5 s LEU 143 Ca 0.14 0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.66 2ju5 s LEU 143 Cb -0.06 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2ju5 s LEU 143 CO 0.67 -0.06 0.15 0.54 0.02 0.00 0.00 176.35 177.67