#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ke2 s SER 12 N 0.00 4.41 0.17 4.52 0.15 -1.26 -4.92 113.70 116.77 3ke2 s SER 12 Ca 0.00 1.88 -0.09 0.00 0.70 0.00 0.00 55.95 58.44 3ke2 s SER 12 Cb 0.00 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3ke2 s SER 12 CO 0.00 -2.10 1.55 0.11 1.20 0.00 0.00 173.24 174.00 3ke2 h LYS 13 N -1.08 0.94 -0.13 5.44 1.57 -2.06 -1.83 116.57 119.43 3ke2 h LYS 13 Ca -0.44 -0.42 -0.14 0.00 -1.87 0.00 0.00 60.65 57.79 3ke2 h LYS 13 Cb 1.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3ke2 h LYS 13 CO 0.51 1.08 -0.51 1.96 -0.57 0.00 0.00 179.45 181.91 3ke2 h GLN 14 N 0.81 0.34 -0.46 3.15 1.08 -2.00 -2.28 115.11 115.75 3ke2 h GLN 14 Ca 0.10 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 3ke2 h GLN 14 Cb 0.82 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 3ke2 h GLN 14 CO 0.07 0.78 -0.01 1.25 -0.95 0.00 0.00 178.83 179.97 3ke2 h HIS 15 N 0.27 0.81 -0.45 2.96 2.76 -1.91 -1.29 115.15 118.31 3ke2 h HIS 15 Ca 0.01 -0.11 -0.11 0.00 -2.20 0.00 0.00 60.37 57.96 3ke2 h HIS 15 Cb 1.00 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 3ke2 h HIS 15 CO 0.03 0.76 -0.15 0.87 -1.30 0.00 0.00 177.93 178.14 3ke2 h LYS 16 N 0.71 0.88 -0.50 5.26 6.56 -1.11 -0.67 116.57 127.71 3ke2 h LYS 16 Ca 0.14 -0.36 0.04 0.00 -1.06 0.00 0.00 60.65 59.41 3ke2 h LYS 16 Cb 0.45 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.03 3ke2 h LYS 16 CO 0.02 1.00 0.27 0.00 -2.06 0.00 0.00 179.45 178.68 3ke2 h ALA 17 N 0.86 0.64 -0.15 3.86 0.00 -1.01 -0.07 119.26 123.39 3ke2 h ALA 17 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ke2 h ALA 17 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ke2 h ALA 17 CO 0.05 -0.07 0.09 0.35 0.00 0.00 0.00 179.25 179.67 3ke2 h PHE 18 N 0.52 0.17 0.00 0.00 3.57 -1.01 -2.26 116.94 117.93 3ke2 h PHE 18 Ca 0.21 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ke2 h PHE 18 Cb 0.09 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3ke2 h PHE 18 CO -0.09 0.10 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.78 3ke2 h LEU 19 N 0.18 0.00 -0.44 0.59 3.38 -0.73 -1.87 115.31 116.43 3ke2 h LEU 19 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ke2 h LEU 19 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ke2 h LEU 19 CO -0.02 0.24 0.27 -0.09 0.09 0.00 0.00 178.44 178.94 3ke2 h ARG 20 N 0.00 0.54 -0.08 1.13 2.43 -0.45 0.29 114.38 118.24 3ke2 h ARG 20 Ca -0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3ke2 h ARG 20 Cb 0.43 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3ke2 h ARG 20 CO 0.03 0.36 0.03 0.87 -1.51 0.00 0.00 179.97 179.75 3ke2 h LYS 21 N 0.56 0.07 -0.61 0.20 1.57 -0.89 -0.28 116.57 117.18 3ke2 h LYS 21 Ca 0.17 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3ke2 h LYS 21 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3ke2 h LYS 21 CO -0.06 0.05 0.29 -0.07 -0.57 0.00 0.00 179.45 179.09 3ke2 h LEU 22 N 0.07 0.78 -0.26 2.94 4.07 -1.11 0.20 115.31 122.00 3ke2 h LEU 22 Ca 0.03 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 3ke2 h LEU 22 Cb 0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3ke2 h LEU 22 CO -0.04 0.66 -0.02 0.22 -1.08 0.00 0.00 178.44 178.19 3ke2 h TYR 23 N 0.86 0.52 -0.54 1.13 3.20 0.17 -1.55 116.97 120.76 3ke2 h TYR 23 Ca 0.21 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3ke2 h TYR 23 Cb 0.09 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3ke2 h TYR 23 CO 0.01 0.65 0.23 -0.07 -1.64 0.00 0.00 178.16 177.34 3ke2 h LEU 24 N 0.25 0.74 -0.53 2.82 3.38 -0.74 -1.68 115.31 119.54 3ke2 h LEU 24 Ca 0.07 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3ke2 h LEU 24 Cb 0.45 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3ke2 h LEU 24 CO 0.02 0.69 0.20 0.00 0.09 0.00 0.00 178.44 179.45 3ke2 h ALA 25 N 1.07 0.67 -0.85 1.53 0.00 -0.84 -1.28 119.26 119.56 3ke2 h ALA 25 Ca 0.18 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3ke2 h ALA 25 Cb 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ke2 h ALA 25 CO -0.02 -0.19 0.54 1.25 0.00 0.00 0.00 179.25 180.83 3ke2 h HIS 26 N 0.39 1.01 0.00 0.00 -0.00 -0.85 -1.93 115.15 113.78 3ke2 h HIS 26 Ca 0.26 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3ke2 h HIS 26 Cb 0.27 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3ke2 h HIS 26 CO -0.16 0.56 0.00 1.28 -0.00 0.00 0.00 177.93 179.62 3ke2 n LEU 27 N -4.57 0.78 0.00 0.26 4.77 -0.48 -2.49 117.00 115.27 3ke2 n LEU 27 Ca 0.11 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3ke2 n LEU 27 Cb 0.11 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ke2 n LEU 27 CO 0.33 0.13 0.00 0.47 -1.33 0.00 0.00 177.39 176.99 3ke2 n ASP 29 N 0.95 0.00 0.05 -1.43 8.00 -0.73 -2.53 116.55 120.86 3ke2 n ASP 29 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3ke2 n ASP 29 Cb 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 3ke2 n ASP 29 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3ke2 h ASP 30 N 0.00 0.00 -5.00 -2.24 3.58 -1.76 -3.48 116.42 107.52 3ke2 h ASP 30 Ca 0.00 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.57 3ke2 h ASP 30 Cb 0.00 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 40.94 3ke2 h ASP 30 CO 0.00 0.95 0.44 0.00 -2.88 0.00 0.00 179.24 177.75 3ke2 s ALA 31 N -2.71 -1.68 -0.28 -0.78 0.00 -1.05 -5.12 121.76 110.14 3ke2 s ALA 31 Ca -0.00 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 3ke2 s ALA 31 Cb 0.09 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 3ke2 s ALA 31 CO 0.82 -0.87 1.36 1.03 0.00 0.00 0.00 175.76 178.09 3ke2 s ARG 32 N -3.33 3.90 0.23 0.00 0.52 -1.26 -4.97 118.95 114.04 3ke2 s ARG 32 Ca 0.08 1.33 0.09 0.00 -0.52 0.00 0.00 55.73 56.72 3ke2 s ARG 32 Cb -0.02 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 3ke2 s ARG 32 CO -0.03 -1.14 -0.17 -1.01 0.02 0.00 0.00 175.30 172.96 3ke2 s HIS 33 N 4.50 1.94 0.39 -0.53 3.76 -1.26 -4.96 115.29 119.13 3ke2 s HIS 33 Ca 0.59 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 55.09 3ke2 s HIS 33 Cb -0.18 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 3ke2 s HIS 33 CO 0.24 0.49 0.21 0.54 -0.85 0.00 0.00 174.74 175.37 3ke2 s ASN 34 N -3.29 2.38 0.21 1.40 2.20 -1.26 -0.53 114.94 116.05 3ke2 s ASN 34 Ca 0.24 -1.76 -0.10 0.00 -0.94 0.00 0.00 52.86 50.31 3ke2 s ASN 34 Cb -0.03 0.59 0.24 0.00 -2.00 0.00 0.00 41.25 40.05 3ke2 s ASN 34 CO 0.10 -1.03 1.80 -0.07 -2.94 0.00 0.00 177.10 174.95 3ke2 h LEU 35 N 1.90 0.49 -0.34 3.54 3.38 -1.98 -0.32 115.31 121.97 3ke2 h LEU 35 Ca -0.29 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ke2 h LEU 35 Cb 1.26 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3ke2 h LEU 35 CO 0.45 0.31 0.22 0.25 0.09 0.00 0.00 178.44 179.77 3ke2 h LEU 36 N 0.62 0.38 -0.55 1.67 5.85 -1.99 0.22 115.31 121.51 3ke2 h LEU 36 Ca 0.29 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.85 3ke2 h LEU 36 Cb 0.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ke2 h LEU 36 CO -0.20 0.28 -0.54 0.77 -0.34 0.00 0.00 178.44 178.41 3ke2 h SER 37 N 0.45 0.57 -0.18 1.25 4.64 -1.87 -2.06 113.55 116.35 3ke2 h SER 37 Ca 0.12 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 3ke2 h SER 37 Cb -0.05 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3ke2 h SER 37 CO -0.03 1.00 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.68 3ke2 h LEU 38 N 0.40 0.60 -0.11 5.97 3.38 -0.65 -1.10 115.31 123.80 3ke2 h LEU 38 Ca 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ke2 h LEU 38 Cb 1.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3ke2 h LEU 38 CO 0.10 0.79 0.05 1.23 0.09 0.00 0.00 178.44 180.70 3ke2 h GLY 39 N 0.98 0.17 1.04 0.83 0.00 -0.28 -0.11 103.07 105.70 3ke2 h GLY 39 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3ke2 h GLY 39 CO 0.04 0.08 0.35 0.50 0.00 0.00 0.00 176.54 177.51 3ke2 h LYS 40 N 0.05 1.16 0.02 4.80 1.57 -1.21 0.54 116.57 123.51 3ke2 h LYS 40 Ca 0.04 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 3ke2 h LYS 40 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3ke2 h LYS 40 CO -0.00 0.92 -0.94 1.25 -0.57 0.00 0.00 179.45 180.10 3ke2 h LEU 41 N 1.14 0.18 0.00 2.94 5.85 -1.07 -3.36 115.31 120.99 3ke2 h LEU 41 Ca 0.27 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ke2 h LEU 41 Cb 0.16 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3ke2 h LEU 41 CO -0.03 1.02 -1.50 0.35 -0.34 0.00 0.00 178.44 177.94 3ke2 n THR 42 N -3.56 0.00 -1.56 1.05 -2.24 -0.07 -5.00 114.28 102.91 3ke2 n THR 42 Ca -0.03 -0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ke2 n THR 42 Cb 0.86 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3ke2 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ke2 n GLY 43 N 1.66 -0.69 3.53 3.38 0.00 0.19 -4.79 105.19 108.47 3ke2 n GLY 43 Ca -0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3ke2 n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ke2 s PRO 45 N -1.23 1.85 0.27 1.61 0.04 -1.26 -5.03 135.00 131.26 3ke2 s PRO 45 Ca 0.01 -1.71 0.01 0.00 0.04 0.00 0.00 61.00 59.34 3ke2 s PRO 45 Cb -0.00 -1.86 0.58 0.00 0.04 0.00 0.00 34.50 33.26 3ke2 s PRO 45 CO 0.03 0.30 1.77 -0.09 0.04 0.00 0.00 177.00 179.06 3ke2 h ARG 46 N 2.13 0.67 -0.13 4.56 2.43 -1.98 -1.59 114.38 120.48 3ke2 h ARG 46 Ca -0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3ke2 h ARG 46 Cb 1.26 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3ke2 h ARG 46 CO 0.62 0.45 0.08 -0.09 -1.51 0.00 0.00 179.97 179.52 3ke2 h ARG 47 N 0.70 0.17 -0.50 0.20 9.65 -2.01 -0.23 114.38 122.35 3ke2 h ARG 47 Ca 0.49 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.35 3ke2 h ARG 47 Cb 0.69 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 3ke2 h ARG 47 CO -0.36 0.11 0.28 1.15 2.80 0.00 0.00 179.97 183.95 3ke2 h THR 48 N 0.17 1.17 -0.41 0.20 2.02 -1.75 -1.37 112.91 112.93 3ke2 h THR 48 Ca 0.05 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3ke2 h THR 48 Cb -0.02 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3ke2 h THR 48 CO -0.01 0.18 0.23 -0.07 0.37 0.00 0.00 175.52 176.22 3ke2 h LEU 49 N 0.66 0.51 -0.49 2.58 3.38 -1.15 -1.40 115.31 119.40 3ke2 h LEU 49 Ca 0.18 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ke2 h LEU 49 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ke2 h LEU 49 CO -0.03 0.45 0.10 -0.61 0.09 0.00 0.00 178.44 178.44 3ke2 h GLN 50 N 0.54 0.80 -0.83 1.13 5.75 -0.82 0.02 115.11 121.70 3ke2 h GLN 50 Ca 0.15 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3ke2 h GLN 50 Cb 0.05 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 3ke2 h GLN 50 CO -0.02 0.79 0.47 -0.44 -2.65 0.00 0.00 178.83 176.98 3ke2 h ASP 51 N 0.68 1.02 0.13 -0.69 3.32 -1.09 -0.90 116.42 118.89 3ke2 h ASP 51 Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3ke2 h ASP 51 Cb 0.36 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ke2 h ASP 51 CO 0.01 0.81 -0.06 0.00 -1.72 0.00 0.00 179.24 178.27 3ke2 h ALA 52 N 1.36 -0.17 -0.66 3.45 0.00 -0.82 -2.93 119.26 119.49 3ke2 h ALA 52 Ca 0.30 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ke2 h ALA 52 Cb -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ke2 h ALA 52 CO -0.05 -0.35 0.44 0.82 0.00 0.00 0.00 179.25 180.10 3ke2 h ILE 53 N -0.66 1.17 -0.14 0.00 2.04 -0.95 -0.76 117.51 118.21 3ke2 h ILE 53 Ca -0.02 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3ke2 h ILE 53 Cb 0.50 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3ke2 h ILE 53 CO 0.03 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.47 3ke2 h ALA 54 N 1.24 1.87 -0.01 1.87 0.00 -1.23 -1.04 119.26 121.96 3ke2 h ALA 54 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ke2 h ALA 54 Cb -0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ke2 h ALA 54 CO -0.05 -0.20 -0.08 0.43 0.00 0.00 0.00 179.25 179.34 3ke2 n SER 55 N -4.05 1.39 -0.29 0.00 7.64 -0.31 -4.36 113.62 113.64 3ke2 n SER 55 Ca 0.00 -1.32 0.09 0.00 1.01 0.00 0.00 58.87 58.65 3ke2 n SER 55 Cb 0.25 0.04 0.25 0.00 -1.01 0.00 0.00 64.21 63.74 3ke2 n SER 55 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3ke2 h PHE 56 N 2.05 0.65 -0.51 1.43 -1.00 -0.95 -1.13 116.94 117.48 3ke2 h PHE 56 Ca 0.00 0.04 0.13 0.00 2.81 0.00 0.00 57.97 60.95 3ke2 h PHE 56 Cb 0.51 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3ke2 h PHE 56 CO 0.00 0.06 0.36 0.00 -1.61 0.00 0.00 178.31 177.12 3ke2 h ALA 57 N 1.62 2.32 0.00 2.45 0.00 -1.73 -0.49 119.26 123.43 3ke2 h ALA 57 Ca 0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3ke2 h ALA 57 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ke2 h ALA 57 CO -0.44 -0.46 -0.10 -0.44 0.00 0.00 0.00 179.25 177.81 3ke2 h ASP 58 N 0.12 0.00 -0.30 0.00 3.32 -1.51 -2.20 116.42 115.85 3ke2 h ASP 58 Ca 0.24 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3ke2 h ASP 58 Cb 0.81 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3ke2 h ASP 58 CO -0.03 0.10 0.01 2.30 -1.72 0.00 0.00 179.24 179.90 3ke2 n ILE 59 N -3.72 2.37 -0.96 0.35 -5.35 -0.22 -4.96 119.36 106.88 3ke2 n ILE 59 Ca -0.02 -2.00 0.00 0.00 -0.27 0.00 0.00 62.75 60.46 3ke2 n ILE 59 Cb 0.21 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 3ke2 n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ke2 n GLY 60 N -0.59 0.90 3.61 3.28 0.00 -0.83 -4.60 105.19 106.98 3ke2 n GLY 60 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3ke2 n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ke2 s ILE 61 N -3.60 4.91 -0.49 -0.61 1.01 -1.03 -3.55 121.20 117.84 3ke2 s ILE 61 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.54 3ke2 s ILE 61 Cb 0.00 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.52 3ke2 s ILE 61 CO 0.00 -0.10 0.54 -1.61 0.00 0.00 0.00 174.94 173.76 3ke2 s GLU 62 N 2.67 3.06 0.11 2.79 2.02 -0.45 -2.90 118.70 126.01 3ke2 s GLU 62 Ca 0.28 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 54.24 3ke2 s GLU 62 Cb -0.15 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 3ke2 s GLU 62 CO 0.11 -1.15 0.02 0.54 0.02 0.00 0.00 175.26 174.79 3ke2 s VAL 63 N 2.24 4.04 0.19 2.63 0.11 -1.26 -0.61 120.40 127.74 3ke2 s VAL 63 Ca 0.11 -1.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 3ke2 s VAL 63 Cb -0.21 -2.96 -0.05 0.00 -1.53 0.00 0.00 36.38 31.63 3ke2 s VAL 63 CO 0.10 0.06 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.18 3ke2 s GLU 64 N -2.49 1.28 -0.31 1.54 2.02 0.17 -4.91 118.70 116.01 3ke2 s GLU 64 Ca 0.27 -1.55 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 3ke2 s GLU 64 Cb -0.11 -1.06 0.06 0.00 0.10 0.00 0.00 34.13 33.11 3ke2 s GLU 64 CO 0.19 0.18 0.01 0.12 0.02 0.00 0.00 175.26 175.77 3ke2 s PHE 65 N -2.94 3.30 -0.14 1.61 5.36 -1.26 -0.37 117.98 123.54 3ke2 s PHE 65 Ca 0.21 -1.97 -0.05 0.00 -0.96 0.00 0.00 56.93 54.16 3ke2 s PHE 65 Cb -0.01 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 3ke2 s PHE 65 CO 0.06 -0.82 0.02 0.08 -1.46 0.00 0.00 175.22 173.10 3ke2 s VAL 66 N 1.23 4.47 0.31 3.12 1.01 0.66 -4.84 120.40 126.35 3ke2 s VAL 66 Ca -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3ke2 s VAL 66 Cb -0.20 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 3ke2 s VAL 66 CO -0.02 0.52 -0.06 -1.10 0.00 0.00 0.00 175.10 174.45 3ke2 s GLN 67 N -0.11 1.66 0.94 2.72 -0.21 -1.26 -0.84 119.66 122.56 3ke2 s GLN 67 Ca 0.05 -1.86 -0.11 0.00 0.02 0.00 0.00 55.36 53.47 3ke2 s GLN 67 Cb -0.12 -1.33 0.16 0.00 1.00 0.00 0.00 33.01 32.72 3ke2 s GLN 67 CO 0.02 0.05 1.11 0.16 -2.12 0.00 0.00 175.29 174.51 3ke2 s ASP 68 N -3.51 2.77 0.22 5.90 -4.77 -1.26 -4.89 116.67 111.13 3ke2 s ASP 68 Ca 0.31 1.98 -0.08 0.00 -3.30 0.00 0.00 52.55 51.46 3ke2 s ASP 68 Cb 0.04 -2.49 0.33 0.00 -1.09 0.00 0.00 42.92 39.72 3ke2 s ASP 68 CO 0.14 -3.16 1.73 1.23 0.70 0.00 0.00 175.17 175.81 3ke2 h GLY 69 N -1.91 0.93 0.72 2.12 0.00 -2.01 -1.50 103.07 101.43 3ke2 h GLY 69 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ke2 h GLY 69 CO 0.45 -0.05 -0.00 1.18 0.00 0.00 0.00 176.54 178.12 3ke2 n GLU 70 N -5.01 1.12 -3.66 4.80 1.02 -1.26 -4.91 120.64 112.73 3ke2 n GLU 70 Ca 0.10 -0.19 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 3ke2 n GLU 70 Cb 0.32 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.31 3ke2 n GLU 70 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ke2 n ARG 71 N -0.78 -7.24 -0.03 3.49 1.74 -0.57 -4.89 116.66 108.39 3ke2 n ARG 71 Ca 0.23 0.77 -0.09 0.00 -0.77 0.00 0.00 57.85 57.99 3ke2 n ARG 71 Cb 0.16 -5.78 -0.14 0.00 -1.02 0.00 0.00 32.46 25.68 3ke2 n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ke2 n HIS 72 N -4.91 0.87 -3.10 -1.55 8.25 -1.26 -4.96 115.22 108.55 3ke2 n HIS 72 Ca 0.01 0.31 -0.28 0.00 -0.26 0.00 0.00 57.72 57.51 3ke2 n HIS 72 Cb 0.55 -1.16 -0.02 0.00 1.12 0.00 0.00 29.99 30.48 3ke2 n HIS 72 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3ke2 s ASN 73 N -6.01 6.42 0.15 0.41 0.01 -1.26 -5.02 114.94 109.63 3ke2 s ASN 73 Ca -0.05 0.83 -0.31 0.00 -0.71 0.00 0.00 52.86 52.61 3ke2 s ASN 73 Cb 0.08 -2.19 -0.10 0.00 0.41 0.00 0.00 41.25 39.44 3ke2 s ASN 73 CO 0.83 -0.32 1.63 0.00 -1.51 0.00 0.00 177.10 177.73 3ke2 s ALA 74 N -2.29 3.79 0.96 0.60 0.00 -1.26 -4.71 121.76 118.85 3ke2 s ALA 74 Ca 0.46 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 3ke2 s ALA 74 Cb -0.10 -3.66 0.17 0.00 0.00 0.00 0.00 23.12 19.52 3ke2 s ALA 74 CO 0.33 -0.91 1.10 0.20 0.00 0.00 0.00 175.76 176.49 3ke2 s GLY 75 N 1.53 1.58 0.02 0.00 0.00 -1.26 -4.90 107.32 104.29 3ke2 s GLY 75 Ca 0.73 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 3ke2 s GLY 75 CO 0.32 0.22 0.01 -2.52 0.00 0.00 0.00 173.10 171.13 3ke2 s TYR 76 N -3.03 0.24 0.21 1.90 1.13 -0.02 -4.65 117.35 113.12 3ke2 s TYR 76 Ca 0.65 -0.50 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 3ke2 s TYR 76 Cb -0.18 -0.18 -0.08 0.00 -1.10 0.00 0.00 41.96 40.42 3ke2 s TYR 76 CO 0.56 -0.23 0.98 0.71 -2.51 0.00 0.00 175.55 175.06 3ke2 s TYR 77 N -1.72 3.86 -0.02 -3.49 2.02 0.31 -0.25 117.35 118.07 3ke2 s TYR 77 Ca -0.13 1.84 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 3ke2 s TYR 77 Cb -0.08 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.45 3ke2 s TYR 77 CO -0.01 0.18 -0.00 0.50 -1.57 0.00 0.00 175.55 174.65 3ke2 s ARG 78 N -0.90 0.24 -0.23 -0.62 3.52 0.50 -4.46 118.95 117.01 3ke2 s ARG 78 Ca 0.43 0.06 -0.21 0.00 -0.13 0.00 0.00 55.73 55.89 3ke2 s ARG 78 Cb -0.27 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 3ke2 s ARG 78 CO 0.33 -0.11 0.63 0.42 -0.81 0.00 0.00 175.30 175.77 3ke2 s ILE 79 N 0.84 5.00 -0.01 4.11 1.01 -1.26 0.45 121.20 131.33 3ke2 s ILE 79 Ca -0.08 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.53 3ke2 s ILE 79 Cb -0.11 -3.94 -0.27 0.00 0.01 0.00 0.00 42.46 38.14 3ke2 s ILE 79 CO -0.02 0.07 1.02 -0.09 0.00 0.00 0.00 174.94 175.92 3ke2 h ARG 80 N 7.68 0.38 -2.07 2.79 2.43 -1.21 -3.48 114.38 120.90 3ke2 h ARG 80 Ca -0.29 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 58.33 3ke2 h ARG 80 Cb 1.13 0.16 -0.19 0.00 -0.42 0.00 0.00 29.97 30.65 3ke2 h ARG 80 CO 0.78 1.17 0.16 -0.08 -1.51 0.00 0.00 179.97 180.48 3ke2 s THR 81 N -2.89 0.00 -0.88 0.20 -1.32 -1.10 -5.00 115.64 104.65 3ke2 s THR 81 Ca -0.13 -0.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 3ke2 s THR 81 Cb 0.03 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3ke2 s THR 81 CO 0.83 -0.02 1.39 0.79 -2.21 0.00 0.00 174.62 175.41 3ke2 n TRP 82 N 1.03 0.17 0.00 9.09 7.02 -1.26 -1.34 117.44 132.15 3ke2 n TRP 82 Ca -0.19 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 3ke2 n TRP 82 Cb 0.57 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 3ke2 n TRP 82 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ke2 n GLY 83 N 1.45 3.54 0.00 6.99 0.00 -1.23 -0.93 105.19 115.01 3ke2 n GLY 83 Ca 0.05 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3ke2 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ke2 n PRO 84 N 14.00 0.79 -3.43 1.61 -0.04 -1.26 -4.79 135.00 141.88 3ke2 n PRO 84 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3ke2 n PRO 84 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3ke2 n PRO 84 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ke2 s ILE 85 N -2.06 5.03 -0.43 0.52 -1.09 -0.11 -5.04 121.20 118.03 3ke2 s ILE 85 Ca 0.39 0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 59.49 3ke2 s ILE 85 Cb 0.18 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 3ke2 s ILE 85 CO 0.32 0.51 0.72 -0.55 -1.23 0.00 0.00 174.94 174.71 3ke2 s SER 86 N -0.65 6.39 0.32 3.58 0.15 -1.26 -4.75 113.70 117.48 3ke2 s SER 86 Ca 0.25 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.80 3ke2 s SER 86 Cb -0.17 -2.36 0.55 0.00 -1.71 0.00 0.00 66.02 62.34 3ke2 s SER 86 CO 0.13 -0.83 1.83 0.77 1.20 0.00 0.00 173.24 176.34 3ke2 h SER 87 N 8.87 0.48 -0.46 5.45 4.64 -1.96 -2.59 113.55 127.98 3ke2 h SER 87 Ca -0.25 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3ke2 h SER 87 Cb 1.09 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 3ke2 h SER 87 CO 0.92 0.61 0.31 0.00 -0.87 0.00 0.00 176.83 177.80 3ke2 h ALA 88 N 1.45 1.70 0.00 5.18 0.00 -2.05 -2.18 119.26 123.36 3ke2 h ALA 88 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ke2 h ALA 88 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ke2 h ALA 88 CO 0.02 0.27 0.00 1.87 0.00 0.00 0.00 179.25 181.41 3ke2 n TRP 89 N -4.47 0.00 0.00 0.00 -0.00 -0.98 -2.70 117.44 109.29 3ke2 n TRP 89 Ca 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 3ke2 n TRP 89 Cb 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3ke2 n TRP 89 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3ke2 n ASP 91 N 0.58 0.00 0.10 5.87 8.00 -0.82 -2.15 116.55 128.12 3ke2 n ASP 91 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3ke2 n ASP 91 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 3ke2 n ASP 91 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ke2 h THR 92 N 0.00 1.12 -0.30 -3.53 2.02 -1.81 -3.36 112.91 107.06 3ke2 h THR 92 Ca 0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 3ke2 h THR 92 Cb 0.00 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3ke2 h THR 92 CO 0.00 0.64 0.00 1.41 0.37 0.00 0.00 175.52 177.94 3ke2 n HIS 93 N -3.23 0.73 0.04 3.16 8.25 -0.91 -4.80 115.22 118.46 3ke2 n HIS 93 Ca -0.01 -0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 56.63 3ke2 n HIS 93 Cb 0.83 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.67 3ke2 n HIS 93 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ke2 h VAL 94 N 1.91 0.00 -0.52 1.59 2.07 -1.85 0.29 116.25 119.74 3ke2 h VAL 94 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3ke2 h VAL 94 Cb 1.12 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 3ke2 h VAL 94 CO 0.12 0.00 -0.15 0.44 0.02 0.00 0.00 177.57 178.01 3ke2 h ASP 95 N -0.54 -0.54 -0.03 0.57 3.32 -1.91 0.38 116.42 117.68 3ke2 h ASP 95 Ca 0.01 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3ke2 h ASP 95 Cb 0.58 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3ke2 h ASP 95 CO -0.29 -0.19 -0.03 -0.08 -1.72 0.00 0.00 179.24 176.93 3ke2 h GLU 96 N -0.02 -0.04 -0.58 3.56 4.81 -1.84 -1.64 114.58 118.83 3ke2 h GLU 96 Ca 0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3ke2 h GLU 96 Cb 0.40 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3ke2 h GLU 96 CO -0.55 -0.03 0.23 0.28 -0.73 0.00 0.00 179.01 178.22 3ke2 h VAL 97 N -0.04 1.23 -0.59 0.32 2.07 -0.19 -1.66 116.25 117.39 3ke2 h VAL 97 Ca 0.02 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3ke2 h VAL 97 Cb 0.07 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3ke2 h VAL 97 CO -0.05 0.28 0.39 0.50 0.02 0.00 0.00 177.57 178.70 3ke2 h LYS 98 N 0.80 0.46 0.22 1.57 3.64 -0.06 -1.01 116.57 122.18 3ke2 h LYS 98 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3ke2 h LYS 98 Cb 0.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3ke2 h LYS 98 CO -0.01 0.30 -0.11 1.03 -2.27 0.00 0.00 179.45 178.39 3ke2 h SER 99 N 0.47 -0.25 -1.02 4.20 0.87 -0.80 -2.23 113.55 114.80 3ke2 h SER 99 Ca 0.26 -0.21 0.25 0.00 -1.23 0.00 0.00 61.79 60.86 3ke2 h SER 99 Cb 0.42 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.33 3ke2 h SER 99 CO -0.08 0.27 0.62 -0.07 -0.53 0.00 0.00 176.83 177.04 3ke2 h LEU 100 N -0.98 0.62 -0.32 2.23 3.38 -0.95 0.38 115.31 119.67 3ke2 h LEU 100 Ca -0.03 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3ke2 h LEU 100 Cb 0.45 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ke2 h LEU 100 CO 0.05 0.10 -0.60 -0.07 0.09 0.00 0.00 178.44 178.01 3ke2 h LEU 101 N 0.54 0.00 -0.83 1.67 3.38 -1.28 -3.48 115.31 115.30 3ke2 h LEU 101 Ca 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.55 3ke2 h LEU 101 Cb 1.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.07 3ke2 h LEU 101 CO -0.43 0.60 -0.08 0.61 0.09 0.00 0.00 178.44 179.23 3ke2 n GLY 102 N 0.90 0.71 0.13 0.83 0.00 0.13 -5.00 105.19 102.90 3ke2 n GLY 102 Ca 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3ke2 n GLY 102 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ke2 h VAL 103 N -0.30 1.33 0.00 1.61 2.07 -1.65 -3.02 116.25 116.28 3ke2 h VAL 103 Ca -0.07 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3ke2 h VAL 103 Cb 1.05 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3ke2 h VAL 103 CO 0.07 0.36 0.00 0.44 0.02 0.00 0.00 177.57 178.46 3ke2 h ASP 104 N -0.01 0.00 -1.62 0.57 3.32 -1.91 -1.93 116.42 114.84 3ke2 h ASP 104 Ca 0.03 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.38 3ke2 h ASP 104 Cb 0.61 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.95 3ke2 h ASP 104 CO 0.03 0.00 1.19 0.47 -1.72 0.00 0.00 179.24 179.21 3ke2 n ASP 105 N -2.61 7.33 -1.32 6.45 9.92 -1.14 -4.74 116.55 130.44 3ke2 n ASP 105 Ca -0.01 -3.47 -0.06 0.00 -0.53 0.00 0.00 54.79 50.72 3ke2 n ASP 105 Cb 0.12 -1.20 0.04 0.00 -0.64 0.00 0.00 41.12 39.44 3ke2 n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ke2 n ALA 106 N 0.47 3.32 0.84 2.24 0.00 -0.73 -5.02 120.51 121.63 3ke2 n ALA 106 Ca 0.53 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 53.32 3ke2 n ALA 106 Cb 0.33 -1.11 0.40 0.00 0.00 0.00 0.00 19.45 19.06 3ke2 n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78