#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j02 s ILE 4 N 0.00 4.91 0.03 -0.18 1.01 -1.24 -3.19 121.20 122.54 2j02 s ILE 4 Ca 0.00 1.57 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 2j02 s ILE 4 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2j02 s ILE 4 CO 0.00 0.06 0.16 -0.60 0.00 0.00 0.00 174.94 174.57 2j02 s ARG 5 N 1.95 3.31 -0.02 2.79 3.52 0.37 -3.57 118.95 127.29 2j02 s ARG 5 Ca 0.37 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 2j02 s ARG 5 Cb -0.17 -2.99 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2j02 s ARG 5 CO 0.13 0.63 0.01 0.96 -0.81 0.00 0.00 175.30 176.23 2j02 s ILE 6 N -1.38 0.03 0.21 4.11 -5.25 -1.21 0.87 121.20 118.57 2j02 s ILE 6 Ca 0.30 0.12 0.05 0.00 -0.99 0.00 0.00 60.65 60.13 2j02 s ILE 6 Cb -0.13 -0.12 -0.03 0.00 2.95 0.00 0.00 42.46 45.12 2j02 s ILE 6 CO 0.22 0.09 0.25 -0.54 -1.79 0.00 0.00 174.94 173.17 2j02 s LYS 7 N 0.80 3.19 -0.32 0.37 -0.14 0.26 -3.50 119.74 120.40 2j02 s LYS 7 Ca -0.07 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2j02 s LYS 7 Cb -0.10 -2.77 0.14 0.00 -1.68 0.00 0.00 37.83 33.43 2j02 s LYS 7 CO -0.02 0.45 0.33 -0.51 -0.76 0.00 0.00 175.35 174.84 2j02 s LEU 8 N -3.61 -0.20 0.00 3.17 1.02 -0.50 -2.98 118.68 115.58 2j02 s LEU 8 Ca 0.33 -1.02 0.00 0.00 0.02 0.00 0.00 54.13 53.46 2j02 s LEU 8 Cb -0.09 0.55 0.00 0.00 0.02 0.00 0.00 46.19 46.67 2j02 s LEU 8 CO 0.27 -0.34 0.00 0.54 0.02 0.00 0.00 176.35 176.83 2j02 n ARG 9 N 4.95 3.48 0.00 1.70 1.74 -1.03 -0.77 116.66 126.73 2j02 n ARG 9 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2j02 n ARG 9 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2j02 n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j02 n GLY 10 N 5.00 -0.33 1.22 -0.13 0.00 -1.24 -4.36 105.19 105.34 2j02 n GLY 10 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2j02 n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2j02 n PHE 11 N 0.00 0.00 -1.79 1.61 0.99 -1.26 -3.59 117.46 113.42 2j02 n PHE 11 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 2j02 n PHE 11 Cb 0.00 0.20 -0.03 0.00 -1.00 0.00 0.00 39.48 38.65 2j02 n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2j02 s ASP 12 N -3.53 5.45 0.00 4.37 -0.00 -1.26 -4.45 116.67 117.25 2j02 s ASP 12 Ca 0.00 1.38 0.10 0.00 -0.00 0.00 0.00 52.55 54.03 2j02 s ASP 12 Cb 0.00 -2.52 0.57 0.00 -0.00 0.00 0.00 42.92 40.97 2j02 s ASP 12 CO 0.00 -2.05 1.01 0.00 -0.00 0.00 0.00 175.17 174.13 2j02 n HIS 13 N 11.91 0.00 0.13 4.23 1.44 -1.26 -1.72 115.22 129.95 2j02 n HIS 13 Ca 0.27 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.77 2j02 n HIS 13 Cb 0.48 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.44 2j02 n HIS 13 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2j02 h LYS 14 N 0.00 0.48 0.00 -1.40 3.64 -2.00 -3.21 116.57 114.08 2j02 h LYS 14 Ca 0.00 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 2j02 h LYS 14 Cb 0.00 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2j02 h LYS 14 CO 0.00 1.36 -0.09 1.79 -2.27 0.00 0.00 179.45 180.25 2j02 h THR 15 N 0.15 0.00 -0.79 1.00 1.35 -1.73 -3.33 112.91 109.56 2j02 h THR 15 Ca -0.21 -0.44 0.26 0.00 -0.55 0.00 0.00 66.41 65.47 2j02 h THR 15 Cb 2.06 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 68.34 2j02 h THR 15 CO 0.25 0.00 0.16 -0.11 -0.25 0.00 0.00 175.52 175.57 2j02 n LEU 16 N -3.25 0.04 -0.03 3.87 -0.00 -1.11 0.16 117.00 116.68 2j02 n LEU 16 Ca -0.01 1.33 -0.09 0.00 -0.00 0.00 0.00 56.01 57.23 2j02 n LEU 16 Cb 0.04 -0.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.89 2j02 n LEU 16 CO 0.02 -1.39 0.87 -0.78 -0.00 0.00 0.00 177.39 176.10 2j02 h ASP 17 N 0.00 -0.06 0.80 1.96 3.58 -1.72 -0.70 116.42 120.28 2j02 h ASP 17 Ca 0.54 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.99 2j02 h ASP 17 Cb 1.26 0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.38 2j02 h ASP 17 CO -0.69 -0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 175.28 2j02 h ALA 18 N 1.14 -1.11 -1.15 -0.78 0.00 0.14 0.23 119.26 117.74 2j02 h ALA 18 Ca 0.08 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.08 2j02 h ALA 18 Cb 0.09 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2j02 h ALA 18 CO -0.13 -1.03 0.77 0.66 0.00 0.00 0.00 179.25 179.52 2j02 h SER 19 N -1.24 0.26 0.10 0.00 4.64 -1.20 0.36 113.55 116.48 2j02 h SER 19 Ca -0.11 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2j02 h SER 19 Cb 0.82 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2j02 h SER 19 CO 0.18 0.02 -0.05 0.00 -0.87 0.00 0.00 176.83 176.11 2j02 h ALA 20 N 1.54 -0.14 -0.96 5.18 0.00 -1.01 -3.22 119.26 120.64 2j02 h ALA 20 Ca 0.62 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 55.54 2j02 h ALA 20 Cb 1.96 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 2j02 h ALA 20 CO -0.21 -0.19 0.65 0.37 0.00 0.00 0.00 179.25 179.86 2j02 h GLN 21 N -0.92 0.30 -0.73 0.00 4.15 0.13 0.60 115.11 118.63 2j02 h GLN 21 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2j02 h GLN 21 Cb 0.52 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2j02 h GLN 21 CO 0.02 0.20 0.48 -0.22 -1.93 0.00 0.00 178.83 177.38 2j02 h LYS 22 N 0.30 0.97 -2.15 1.69 3.11 -0.45 -2.97 116.57 117.07 2j02 h LYS 22 Ca 0.51 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 58.22 2j02 h LYS 22 Cb 1.44 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.44 2j02 h LYS 22 CO -0.17 0.65 -0.05 -0.89 -2.81 0.00 0.00 179.45 176.18 2j02 n ILE 23 N -4.56 1.66 0.01 2.00 5.41 0.21 -2.23 119.36 121.86 2j02 n ILE 23 Ca 0.07 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.17 2j02 n ILE 23 Cb 0.02 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 2j02 n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2j02 n VAL 24 N 2.13 0.00 0.31 1.39 0.31 -1.13 -4.49 118.33 116.85 2j02 n VAL 24 Ca 0.13 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.66 2j02 n VAL 24 Cb 0.47 -0.17 1.02 0.00 -0.91 0.00 0.00 33.84 34.25 2j02 n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2j02 h GLU 25 N 0.00 0.00 -0.01 5.55 5.08 -1.48 0.71 114.58 124.43 2j02 h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j02 h GLU 25 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2j02 h GLU 25 CO 0.00 0.02 -0.53 0.00 -1.00 0.00 0.00 179.01 177.49 2j02 n ALA 26 N -2.13 3.59 0.11 3.43 0.00 -0.94 -4.09 120.51 120.47 2j02 n ALA 26 Ca -0.02 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.06 2j02 n ALA 26 Cb 0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 2j02 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j02 n ALA 27 N -0.78 2.75 0.07 0.00 0.00 0.05 -3.80 120.51 118.80 2j02 n ALA 27 Ca 0.05 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 2j02 n ALA 27 Cb 0.28 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 2j02 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j02 h ARG 28 N 0.00 0.36 0.00 0.00 3.08 -1.22 -3.30 114.38 113.30 2j02 h ARG 28 Ca 0.00 -0.62 -0.02 0.00 0.07 0.00 0.00 59.98 59.41 2j02 h ARG 28 Cb 0.97 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2j02 h ARG 28 CO 0.00 1.26 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.97 2j02 h ARG 29 N 0.10 0.00 -0.55 0.04 2.43 -1.73 -2.33 114.38 112.34 2j02 h ARG 29 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2j02 h ARG 29 Cb 2.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2j02 h ARG 29 CO 0.18 0.11 0.00 -1.13 -1.51 0.00 0.00 179.97 177.61 2j02 n SER 30 N -3.69 2.49 0.00 -3.80 3.41 -1.24 -5.02 113.62 105.76 2j02 n SER 30 Ca -0.02 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 2j02 n SER 30 Cb 0.22 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2j02 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j02 n GLY 31 N 0.72 0.15 2.86 5.00 0.00 -0.88 -3.76 105.19 109.29 2j02 n GLY 31 Ca 0.12 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2j02 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j02 n ALA 32 N -1.00 -3.80 -1.60 4.61 0.00 -1.26 -4.72 120.51 112.74 2j02 n ALA 32 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2j02 n ALA 32 Cb 0.00 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 18.43 2j02 n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2j02 s GLN 33 N -1.25 0.67 0.06 0.00 -0.21 -1.26 -4.42 119.66 113.25 2j02 s GLN 33 Ca 0.46 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.82 2j02 s GLN 33 Cb -0.34 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 2j02 s GLN 33 CO 0.66 -2.46 0.06 0.08 -2.12 0.00 0.00 175.29 171.51 2j02 s VAL 34 N -3.43 0.18 -0.43 1.09 1.01 -1.26 -2.49 120.40 115.08 2j02 s VAL 34 Ca 0.68 -1.52 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 2j02 s VAL 34 Cb -0.11 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2j02 s VAL 34 CO 0.53 -0.84 0.65 -0.94 0.00 0.00 0.00 175.10 174.50 2j02 s SER 35 N -2.85 6.34 0.21 3.32 1.04 -0.67 -5.00 113.70 116.10 2j02 s SER 35 Ca 0.05 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 2j02 s SER 35 Cb 0.06 -2.32 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 2j02 s SER 35 CO -0.10 -0.76 0.12 0.61 0.98 0.00 0.00 173.24 174.09 2j02 n GLY 36 N 4.98 -1.52 3.45 7.32 0.00 -1.26 -3.73 105.19 114.43 2j02 n GLY 36 Ca -0.01 0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2j02 n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j02 n PRO 37 N 0.77 0.46 -3.19 1.61 -0.02 -1.26 -4.78 135.00 128.58 2j02 n PRO 37 Ca 0.08 0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 2j02 n PRO 37 Cb 0.22 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2j02 n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2j02 s ILE 38 N 8.63 5.02 -0.80 4.25 -4.36 0.32 -4.95 121.20 129.32 2j02 s ILE 38 Ca 1.20 0.88 -0.22 0.00 -0.26 0.00 0.00 60.65 62.24 2j02 s ILE 38 Cb -1.00 -3.89 0.08 0.00 1.25 0.00 0.00 42.46 38.89 2j02 s ILE 38 CO 0.48 0.01 1.12 -2.16 0.24 0.00 0.00 174.94 174.63 2j02 s PRO 39 N 2.41 3.32 0.77 0.37 0.04 -1.26 -0.34 135.00 140.30 2j02 s PRO 39 Ca 0.23 -1.05 -0.12 0.00 0.04 0.00 0.00 61.00 60.10 2j02 s PRO 39 Cb -0.15 -4.57 0.05 0.00 0.04 0.00 0.00 34.50 29.86 2j02 s PRO 39 CO 0.10 -1.91 1.12 -0.48 0.04 0.00 0.00 177.00 175.87 2j02 s LEU 40 N 4.05 2.67 0.80 -3.56 2.34 -1.26 -5.00 118.68 118.72 2j02 s LEU 40 Ca 0.30 1.08 -0.15 0.00 0.06 0.00 0.00 54.13 55.42 2j02 s LEU 40 Cb -0.10 -3.73 -0.03 0.00 -0.56 0.00 0.00 46.19 41.77 2j02 s LEU 40 CO 0.03 -1.71 0.38 -0.81 -1.06 0.00 0.00 176.35 173.18 2j02 n PRO 41 N -3.24 0.10 -3.85 1.48 -0.04 -1.26 -4.58 135.00 123.61 2j02 n PRO 41 Ca 0.07 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 2j02 n PRO 41 Cb 0.58 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2j02 n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2j02 s THR 42 N -2.06 5.35 -0.10 0.52 2.01 -1.26 -4.47 115.64 115.63 2j02 s THR 42 Ca 0.61 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.61 2j02 s THR 42 Cb -0.30 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2j02 s THR 42 CO 0.63 0.53 0.38 -0.13 -0.69 0.00 0.00 174.62 175.34 2j02 s ARG 43 N -0.31 4.15 0.09 4.92 1.81 -1.20 -4.99 118.95 123.43 2j02 s ARG 43 Ca 0.11 0.30 0.10 0.00 -1.72 0.00 0.00 55.73 54.51 2j02 s ARG 43 Cb -0.12 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 2j02 s ARG 43 CO 0.01 0.37 -0.24 0.08 -0.68 0.00 0.00 175.30 174.84 2j02 s VAL 44 N 0.00 2.40 -0.41 3.52 1.01 -1.26 -1.97 120.40 123.70 2j02 s VAL 44 Ca 0.22 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.68 2j02 s VAL 44 Cb -0.15 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.32 2j02 s VAL 44 CO 0.09 0.20 0.16 -0.13 0.00 0.00 0.00 175.10 175.42 2j02 s ARG 45 N -1.76 1.79 -0.07 2.72 1.81 -1.22 -4.97 118.95 117.25 2j02 s ARG 45 Ca 0.14 -2.06 -0.03 0.00 -1.72 0.00 0.00 55.73 52.06 2j02 s ARG 45 Cb -0.10 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 2j02 s ARG 45 CO 0.06 -1.02 0.06 1.03 -0.68 0.00 0.00 175.30 174.74 2j02 s ARG 46 N 0.65 3.12 -0.17 3.54 0.52 -1.26 -1.21 118.95 124.13 2j02 s ARG 46 Ca 0.12 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 54.88 2j02 s ARG 46 Cb -0.21 -2.91 0.06 0.00 0.52 0.00 0.00 34.95 32.41 2j02 s ARG 46 CO -0.05 0.71 0.42 -0.59 0.02 0.00 0.00 175.30 175.81 2j02 s PHE 47 N -1.00 -0.62 0.18 -0.53 -0.12 -0.93 -5.01 117.98 109.95 2j02 s PHE 47 Ca 0.16 1.32 -0.01 0.00 -0.05 0.00 0.00 56.93 58.36 2j02 s PHE 47 Cb -0.12 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 2j02 s PHE 47 CO 0.05 -0.35 0.37 0.99 -0.05 0.00 0.00 175.22 176.23 2j02 s THR 48 N 1.41 5.22 -0.01 -4.49 2.01 -1.26 -1.10 115.64 117.43 2j02 s THR 48 Ca -0.10 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 2j02 s THR 48 Cb -0.08 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2j02 s THR 48 CO -0.13 -0.11 0.22 -0.69 -0.69 0.00 0.00 174.62 173.22 2j02 s VAL 49 N -1.80 0.07 -0.55 3.82 1.01 -0.20 -4.91 120.40 117.85 2j02 s VAL 49 Ca 0.38 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2j02 s VAL 49 Cb -0.11 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.80 2j02 s VAL 49 CO 0.28 -0.30 1.01 -0.63 0.00 0.00 0.00 175.10 175.46 2j02 s ILE 50 N -1.25 4.29 0.00 2.22 -1.09 -1.26 0.17 121.20 124.28 2j02 s ILE 50 Ca -0.13 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2j02 s ILE 50 Cb -0.06 -4.58 -0.00 0.00 -1.58 0.00 0.00 42.46 36.24 2j02 s ILE 50 CO 0.03 -1.14 0.73 0.54 -1.23 0.00 0.00 174.94 173.87 2j02 n ARG 51 N 7.70 -0.00 -1.27 2.79 1.74 -1.26 -4.46 116.66 121.89 2j02 n ARG 51 Ca 0.04 0.73 -0.36 0.00 -0.77 0.00 0.00 57.85 57.49 2j02 n ARG 51 Cb 0.48 -1.09 0.07 0.00 -1.02 0.00 0.00 32.46 30.89 2j02 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j02 n GLY 52 N -1.00 -1.54 1.18 -0.13 0.00 -1.26 -4.86 105.19 97.59 2j02 n GLY 52 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.70 2j02 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j02 n PRO 53 N -0.71 2.96 0.00 1.61 -0.04 -1.26 -4.76 135.00 132.80 2j02 n PRO 53 Ca 0.10 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 2j02 n PRO 53 Cb 0.50 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2j02 n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2j02 n PHE 54 N 0.51 0.00 -3.42 0.54 7.35 -1.26 -5.11 117.46 116.06 2j02 n PHE 54 Ca 0.16 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.67 2j02 n PHE 54 Cb 0.69 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.41 2j02 n PHE 54 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2j02 s LYS 55 N 0.00 0.29 -0.41 -4.13 1.02 -1.26 -4.99 119.74 110.27 2j02 s LYS 55 Ca 0.00 -0.12 0.06 0.00 0.02 0.00 0.00 55.97 55.93 2j02 s LYS 55 Cb 0.00 -0.77 0.32 0.00 -0.52 0.00 0.00 37.83 36.86 2j02 s LYS 55 CO 0.00 -0.97 1.22 0.72 -0.92 0.00 0.00 175.35 175.40 2j02 n HIS 56 N 5.31 -2.05 0.09 3.18 8.25 -1.26 -5.01 115.22 123.73 2j02 n HIS 56 Ca -0.03 -1.66 0.01 0.00 -0.26 0.00 0.00 57.72 55.78 2j02 n HIS 56 Cb 0.46 1.49 0.04 0.00 1.12 0.00 0.00 29.99 33.11 2j02 n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2j02 n LYS 57 N 0.23 0.02 -3.21 -0.41 4.76 -1.26 -4.42 118.16 113.87 2j02 n LYS 57 Ca -0.00 0.31 -0.20 0.00 -2.87 0.00 0.00 58.31 55.55 2j02 n LYS 57 Cb 0.73 -2.11 0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2j02 n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2j02 s ASP 58 N -2.45 5.20 -0.68 4.39 1.01 -1.26 -4.50 116.67 118.38 2j02 s ASP 58 Ca -0.00 -0.76 0.00 0.00 0.71 0.00 0.00 52.55 52.50 2j02 s ASP 58 Cb 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.85 2j02 s ASP 58 CO 0.01 -1.05 0.00 -1.54 0.21 0.00 0.00 175.17 172.80 2j02 n SER 59 N -1.97 -2.52 -3.47 0.27 3.41 -1.26 -4.79 113.62 103.29 2j02 n SER 59 Ca 0.10 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2j02 n SER 59 Cb 0.61 -2.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 2j02 n SER 59 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2j02 n ARG 60 N -0.97 -0.43 -3.66 4.33 1.85 -1.26 -4.52 116.66 112.00 2j02 n ARG 60 Ca -0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.71 2j02 n ARG 60 Cb 0.28 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.61 2j02 n ARG 60 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2j02 s GLU 61 N -1.47 0.60 0.16 2.89 2.12 0.44 -4.66 118.70 118.78 2j02 s GLU 61 Ca 0.00 1.14 0.09 0.00 0.36 0.00 0.00 54.97 56.56 2j02 s GLU 61 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 2j02 s GLU 61 CO 0.00 -0.16 -0.17 -3.38 -0.54 0.00 0.00 175.26 171.01 2j02 s HIS 62 N 1.77 2.51 0.53 5.30 -3.43 -1.26 -1.03 115.29 119.69 2j02 s HIS 62 Ca -0.09 -0.27 0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2j02 s HIS 62 Cb -0.07 -1.28 0.01 0.00 -1.43 0.00 0.00 32.58 29.81 2j02 s HIS 62 CO -0.18 0.45 0.10 -0.06 -2.00 0.00 0.00 174.74 173.06 2j02 s PHE 63 N -1.45 1.74 0.17 0.38 0.08 -0.26 -4.95 117.98 113.69 2j02 s PHE 63 Ca 0.21 -0.96 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2j02 s PHE 63 Cb -0.09 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2j02 s PHE 63 CO 0.12 0.04 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.40 2j02 s GLU 64 N -3.99 1.11 -0.42 0.44 -1.05 -1.26 -2.19 118.70 111.33 2j02 s GLU 64 Ca 0.10 -1.52 0.07 0.00 -0.15 0.00 0.00 54.97 53.47 2j02 s GLU 64 Cb 0.00 -0.44 0.23 0.00 -0.44 0.00 0.00 34.13 33.48 2j02 s GLU 64 CO 0.06 -0.05 0.59 -0.11 0.95 0.00 0.00 175.26 176.71 2j02 n LEU 65 N -0.24 -0.88 -4.63 1.83 7.94 -0.35 -4.96 117.00 115.71 2j02 n LEU 65 Ca -0.08 -4.21 -0.43 0.00 -1.11 0.00 0.00 56.01 50.18 2j02 n LEU 65 Cb 0.62 0.68 -0.03 0.00 0.53 0.00 0.00 43.42 45.22 2j02 n LEU 65 CO 0.33 2.01 1.71 -0.13 -1.11 0.00 0.00 177.39 180.21 2j02 s ARG 66 N -0.43 3.60 -0.80 1.96 0.52 -1.26 -3.38 118.95 119.16 2j02 s ARG 66 Ca 0.34 2.23 -0.14 0.00 -0.52 0.00 0.00 55.73 57.64 2j02 s ARG 66 Cb 0.15 -4.26 0.21 0.00 0.52 0.00 0.00 34.95 31.58 2j02 s ARG 66 CO -0.15 -1.57 0.74 0.99 0.02 0.00 0.00 175.30 175.32 2j02 s THR 67 N 6.47 5.55 0.28 0.02 2.01 -0.83 -4.64 115.64 124.50 2j02 s THR 67 Ca 0.93 -2.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.26 2j02 s THR 67 Cb -0.36 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.61 2j02 s THR 67 CO 0.37 -1.01 1.10 -1.00 -0.69 0.00 0.00 174.62 173.39 2j02 s HIS 68 N 0.31 3.59 0.24 4.92 3.76 -1.24 -3.22 115.29 123.64 2j02 s HIS 68 Ca 0.16 1.70 0.11 0.00 -0.15 0.00 0.00 55.06 56.89 2j02 s HIS 68 Cb -0.12 -3.28 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 2j02 s HIS 68 CO -0.08 -0.54 -0.21 -0.80 -0.85 0.00 0.00 174.74 172.26 2j02 s ASN 69 N -0.85 3.43 -0.26 1.40 0.01 -1.26 -3.64 114.94 113.77 2j02 s ASN 69 Ca 0.45 -0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 51.48 2j02 s ASN 69 Cb -0.32 -0.27 0.08 0.00 0.41 0.00 0.00 41.25 41.15 2j02 s ASN 69 CO 0.41 0.05 0.65 -0.60 -1.51 0.00 0.00 177.10 176.11 2j02 s ARG 70 N -3.17 0.68 0.15 -0.60 3.52 0.05 -4.05 118.95 115.53 2j02 s ARG 70 Ca 0.25 1.15 0.09 0.00 -0.13 0.00 0.00 55.73 57.09 2j02 s ARG 70 Cb -0.06 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 2j02 s ARG 70 CO 0.12 -0.15 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.12 2j02 s LEU 71 N 1.47 2.70 -0.07 -0.88 2.96 0.53 -1.42 118.68 123.99 2j02 s LEU 71 Ca -0.09 -0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 2j02 s LEU 71 Cb -0.05 -1.49 0.07 0.00 0.50 0.00 0.00 46.19 45.21 2j02 s LEU 71 CO -0.17 0.15 0.67 -0.69 -1.32 0.00 0.00 176.35 174.99 2j02 s VAL 72 N -1.37 0.00 -0.16 1.68 1.01 -1.23 0.12 120.40 120.45 2j02 s VAL 72 Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2j02 s VAL 72 Cb -0.10 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.35 2j02 s VAL 72 CO 0.11 -0.01 0.42 -1.81 0.00 0.00 0.00 175.10 173.82 2j02 s ASP 73 N -1.07 -0.47 0.10 3.32 1.01 -1.24 -3.34 116.67 114.97 2j02 s ASP 73 Ca -0.10 0.88 -0.24 0.00 0.71 0.00 0.00 52.55 53.80 2j02 s ASP 73 Cb -0.01 0.84 -0.07 0.00 1.01 0.00 0.00 42.92 44.70 2j02 s ASP 73 CO 0.09 -0.16 0.72 0.27 0.21 0.00 0.00 175.17 176.30 2j02 s ILE 74 N 0.62 4.59 -0.03 0.77 -0.00 -1.23 -1.67 121.20 124.25 2j02 s ILE 74 Ca -0.03 1.56 -0.16 0.00 -0.00 0.00 0.00 60.65 62.01 2j02 s ILE 74 Cb -0.05 -4.07 -0.09 0.00 -0.00 0.00 0.00 42.46 38.25 2j02 s ILE 74 CO -0.04 0.47 0.67 0.16 -0.00 0.00 0.00 174.94 176.21 2j02 h ILE 75 N 3.67 0.00 -3.31 8.37 3.07 -1.82 0.23 117.51 127.72 2j02 h ILE 75 Ca -0.46 -0.57 -0.65 0.00 1.55 0.00 0.00 64.86 64.73 2j02 h ILE 75 Cb 1.21 0.00 -0.24 0.00 -0.27 0.00 0.00 36.82 37.52 2j02 h ILE 75 CO 0.67 0.00 -0.71 0.21 -1.05 0.00 0.00 178.15 177.27 2j02 s ASN 76 N -4.86 4.42 -0.98 2.16 2.47 -1.26 -1.54 114.94 115.35 2j02 s ASN 76 Ca -0.09 -0.22 -0.24 0.00 0.42 0.00 0.00 52.86 52.73 2j02 s ASN 76 Cb 0.01 -1.70 0.02 0.00 -1.45 0.00 0.00 41.25 38.13 2j02 s ASN 76 CO 0.26 0.17 1.59 -2.16 -3.72 0.00 0.00 177.10 173.23 2j02 s PRO 77 N 0.35 3.28 0.31 0.43 0.04 -1.26 -4.56 135.00 133.60 2j02 s PRO 77 Ca -0.07 -0.85 -0.22 0.00 0.04 0.00 0.00 61.00 59.90 2j02 s PRO 77 Cb -0.15 -5.23 -0.09 0.00 0.04 0.00 0.00 34.50 29.06 2j02 s PRO 77 CO 0.04 -2.54 0.86 -0.80 0.04 0.00 0.00 177.00 174.60 2j02 s ASN 78 N 5.82 7.12 0.56 6.66 0.01 -1.26 -4.91 114.94 128.94 2j02 s ASN 78 Ca 0.53 1.62 0.33 0.00 -0.71 0.00 0.00 52.86 54.63 2j02 s ASN 78 Cb -0.02 -2.50 1.62 0.00 0.41 0.00 0.00 41.25 40.76 2j02 s ASN 78 CO -0.06 -0.11 2.10 0.03 -1.51 0.00 0.00 177.10 177.55 2j02 h ARG 79 N 2.91 0.00 0.46 -0.60 2.47 -1.94 -2.82 114.38 114.86 2j02 h ARG 79 Ca -0.48 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 2j02 h ARG 79 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2j02 h ARG 79 CO 0.64 0.06 -0.22 -0.22 0.56 0.00 0.00 179.97 180.79 2j02 h LYS 80 N 0.00 -0.60 -0.69 0.04 1.63 -1.91 -3.18 116.57 111.86 2j02 h LYS 80 Ca -0.00 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.98 2j02 h LYS 80 Cb 0.34 0.14 -0.13 0.00 -0.60 0.00 0.00 32.23 31.98 2j02 h LYS 80 CO 0.01 -0.40 -0.18 1.79 -3.45 0.00 0.00 179.45 177.22 2j02 h THR 81 N -0.64 0.30 -0.91 1.00 1.35 -1.60 -2.38 112.91 110.03 2j02 h THR 81 Ca -0.06 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.92 2j02 h THR 81 Cb 0.47 0.30 -0.14 0.00 -1.73 0.00 0.00 68.15 67.06 2j02 h THR 81 CO 0.10 0.00 -0.41 -0.38 -0.25 0.00 0.00 175.52 174.59 2j02 n ILE 82 N -5.46 -0.52 -0.12 6.82 2.08 -1.08 -0.05 119.36 121.02 2j02 n ILE 82 Ca 0.09 2.15 -0.06 0.00 0.56 0.00 0.00 62.75 65.49 2j02 n ILE 82 Cb 0.36 -2.78 0.01 0.00 -0.75 0.00 0.00 39.64 36.47 2j02 n ILE 82 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2j02 h GLU 83 N 0.00 -0.15 0.00 0.38 4.81 -1.43 -1.42 114.58 116.77 2j02 h GLU 83 Ca 0.27 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2j02 h GLU 83 Cb 0.49 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2j02 h GLU 83 CO -0.89 -0.10 0.00 1.04 -0.73 0.00 0.00 179.01 178.33 2j02 n GLN 84 N -5.39 0.00 0.00 1.92 3.00 0.93 -2.21 117.38 115.62 2j02 n GLN 84 Ca 0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2j02 n GLN 84 Cb 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.68 2j02 n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2j02 n LEU 85 N -0.46 0.00 -0.37 1.08 4.77 -0.78 0.11 117.00 121.36 2j02 n LEU 85 Ca 0.00 0.78 0.30 0.00 -0.03 0.00 0.00 56.01 57.06 2j02 n LEU 85 Cb 0.00 -0.38 0.59 0.00 -2.33 0.00 0.00 43.42 41.30 2j02 n LEU 85 CO 0.00 -0.38 1.24 -0.03 -1.33 0.00 0.00 177.39 176.89 2j02 h MET 86 N 0.00 0.23 0.00 3.23 4.05 -1.39 -1.49 114.93 119.56 2j02 h MET 86 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2j02 h MET 86 Cb 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2j02 h MET 86 CO 0.00 0.15 -1.00 0.25 0.23 0.00 0.00 176.91 176.54 2j02 n THR 87 N -4.59 0.00 -1.78 -0.77 -2.24 -0.33 -4.56 114.28 100.01 2j02 n THR 87 Ca 0.30 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 2j02 n THR 87 Cb 1.14 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 70.14 2j02 n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2j02 n LEU 88 N -1.55 7.18 -4.54 3.22 7.94 0.31 -4.89 117.00 124.68 2j02 n LEU 88 Ca 0.02 -4.51 -0.41 0.00 -1.11 0.00 0.00 56.01 50.00 2j02 n LEU 88 Cb 0.30 -1.26 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 2j02 n LEU 88 CO 0.34 1.88 1.20 -1.81 -1.11 0.00 0.00 177.39 177.88 2j02 s ASP 89 N 0.15 6.29 -0.43 1.96 1.01 -1.26 -4.86 116.67 119.53 2j02 s ASP 89 Ca 0.55 -0.90 0.10 0.00 0.71 0.00 0.00 52.55 53.01 2j02 s ASP 89 Cb 0.30 -2.54 0.38 0.00 1.01 0.00 0.00 42.92 42.07 2j02 s ASP 89 CO -0.18 -1.65 0.88 -0.11 0.21 0.00 0.00 175.17 174.32 2j02 n LEU 90 N 8.87 2.49 -4.38 1.23 7.94 -1.26 -5.06 117.00 126.83 2j02 n LEU 90 Ca 0.12 -5.00 -0.43 0.00 -1.11 0.00 0.00 56.01 49.59 2j02 n LEU 90 Cb 0.49 0.15 -0.09 0.00 0.53 0.00 0.00 43.42 44.50 2j02 n LEU 90 CO 0.67 2.17 -0.02 -2.16 -1.11 0.00 0.00 177.39 176.95 2j02 s PRO 91 N -3.00 2.91 0.08 1.96 0.04 -1.26 -4.97 135.00 130.76 2j02 s PRO 91 Ca 0.41 -1.30 -0.34 0.00 0.04 0.00 0.00 61.00 59.81 2j02 s PRO 91 Cb 0.36 -4.03 -0.17 0.00 0.04 0.00 0.00 34.50 30.69 2j02 s PRO 91 CO -0.09 -0.96 1.60 0.00 0.04 0.00 0.00 177.00 177.59 2j02 h THR 92 N 5.79 0.18 0.00 1.26 1.03 -2.01 -3.35 112.91 115.81 2j02 h THR 92 Ca -0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.11 2j02 h THR 92 Cb 1.11 0.18 -0.03 0.00 -1.07 0.00 0.00 68.15 68.34 2j02 h THR 92 CO 0.83 0.00 -0.42 0.61 -0.01 0.00 0.00 175.52 176.53 2j02 n GLY 93 N -1.53 1.76 3.97 2.99 0.00 -1.26 -5.09 105.19 106.03 2j02 n GLY 93 Ca -0.13 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2j02 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j02 s VAL 94 N -0.81 3.13 -0.05 1.61 1.01 -1.26 -4.48 120.40 119.54 2j02 s VAL 94 Ca 0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2j02 s VAL 94 Cb 0.11 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2j02 s VAL 94 CO -0.01 -0.11 0.13 -0.70 0.00 0.00 0.00 175.10 174.41 2j02 s GLU 95 N -4.69 0.13 -0.03 2.72 2.56 -1.26 -4.88 118.70 113.26 2j02 s GLU 95 Ca 0.54 0.23 0.01 0.00 0.00 0.00 0.00 54.97 55.75 2j02 s GLU 95 Cb -0.10 0.00 0.01 0.00 2.00 0.00 0.00 34.13 36.04 2j02 s GLU 95 CO 0.38 -0.06 -0.04 0.96 -0.56 0.00 0.00 175.26 175.95 2j02 s ILE 96 N 0.37 0.41 -0.01 -3.70 -0.00 -1.26 -2.46 121.20 114.55 2j02 s ILE 96 Ca -0.02 -0.11 0.04 0.00 -0.00 0.00 0.00 60.65 60.56 2j02 s ILE 96 Cb -0.04 -0.42 -0.03 0.00 -0.00 0.00 0.00 42.46 41.98 2j02 s ILE 96 CO -0.01 0.17 -0.14 -1.61 -0.00 0.00 0.00 174.94 173.35 2j02 s GLU 97 N 0.57 2.39 -0.02 0.37 0.41 -1.16 -4.90 118.70 116.36 2j02 s GLU 97 Ca -0.07 -0.78 0.04 0.00 -0.41 0.00 0.00 54.97 53.76 2j02 s GLU 97 Cb -0.10 -2.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 2j02 s GLU 97 CO -0.00 0.60 -0.15 0.42 -0.49 0.00 0.00 175.26 175.63 2j02 s ILE 98 N -0.85 1.21 0.00 -1.63 1.09 -1.26 0.91 121.20 120.67 2j02 s ILE 98 Ca 0.14 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 2j02 s ILE 98 Cb -0.11 -1.02 0.00 0.00 -1.06 0.00 0.00 42.46 40.27 2j02 s ILE 98 CO 0.03 0.35 0.00 0.29 -0.10 0.00 0.00 174.94 175.51 2j02 n LYS 99 N 2.88 0.00 -3.07 2.79 4.76 0.25 -4.94 118.16 120.84 2j02 n LYS 99 Ca -0.16 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 2j02 n LYS 99 Cb 0.54 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.70 2j02 n LYS 99 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2j02 s THR 100 N -2.08 -0.50 0.00 -0.18 -4.23 -1.26 0.14 115.64 107.52 2j02 s THR 100 Ca 0.00 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2j02 s THR 100 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2j02 s THR 100 CO 0.00 -0.46 0.00 1.33 -0.54 0.00 0.00 174.62 174.95