#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ke2 h ASP 9 N 0.00 0.00 0.00 1.61 1.82 -2.04 -3.42 116.42 114.39 3ke2 h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3ke2 h ASP 9 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3ke2 h ASP 9 CO 0.00 0.48 0.00 0.00 -1.61 0.00 0.00 179.24 178.11 3ke2 n GLN 10 N -2.95 0.00 -4.36 0.28 3.00 -1.26 -4.81 117.38 107.28 3ke2 n GLN 10 Ca -0.05 0.63 -0.19 0.00 -0.01 0.00 0.00 57.00 57.38 3ke2 n GLN 10 Cb 0.78 -1.02 -0.10 0.00 0.00 0.00 0.00 30.24 29.89 3ke2 n GLN 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3ke2 s VAL 11 N -2.26 1.69 0.78 5.09 -7.23 -1.26 -5.15 120.40 112.07 3ke2 s VAL 11 Ca 0.00 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 57.87 3ke2 s VAL 11 Cb 0.00 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.87 3ke2 s VAL 11 CO 0.00 -0.53 1.09 -0.94 -0.31 0.00 0.00 175.10 174.41 3ke2 s SER 12 N -3.34 4.51 0.25 4.85 1.04 -1.26 -4.79 113.70 114.95 3ke2 s SER 12 Ca 0.24 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 3ke2 s SER 12 Cb 0.00 -2.41 0.28 0.00 0.10 0.00 0.00 66.02 63.99 3ke2 s SER 12 CO 0.08 -2.01 1.92 0.50 0.98 0.00 0.00 173.24 174.71 3ke2 h LYS 13 N -1.11 1.28 -0.49 4.02 3.64 -1.98 0.81 116.57 122.74 3ke2 h LYS 13 Ca -0.45 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3ke2 h LYS 13 Cb 1.24 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3ke2 h LYS 13 CO 0.54 0.84 0.19 0.37 -2.27 0.00 0.00 179.45 179.12 3ke2 h GLN 14 N 1.32 0.73 -0.35 1.90 5.75 -1.99 -0.47 115.11 122.00 3ke2 h GLN 14 Ca 0.37 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.60 3ke2 h GLN 14 Cb -0.11 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 3ke2 h GLN 14 CO -0.09 0.66 -0.32 1.25 -2.65 0.00 0.00 178.83 177.67 3ke2 h HIS 15 N 0.65 0.91 -0.29 3.99 2.76 -1.80 -2.19 115.15 119.18 3ke2 h HIS 15 Ca 0.16 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3ke2 h HIS 15 Cb 0.20 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3ke2 h HIS 15 CO 0.00 1.00 0.18 -0.22 -1.30 0.00 0.00 177.93 177.60 3ke2 h LYS 16 N 0.66 0.39 -0.26 5.26 3.64 -0.59 -0.61 116.57 125.05 3ke2 h LYS 16 Ca 0.07 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3ke2 h LYS 16 Cb 0.86 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3ke2 h LYS 16 CO 0.08 0.29 0.10 0.00 -2.27 0.00 0.00 179.45 177.64 3ke2 h ALA 17 N 1.08 1.68 -0.04 5.00 0.00 -0.86 -1.43 119.26 124.69 3ke2 h ALA 17 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ke2 h ALA 17 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ke2 h ALA 17 CO -0.02 0.26 -0.07 0.35 0.00 0.00 0.00 179.25 179.76 3ke2 h PHE 18 N 0.37 0.16 0.00 0.00 3.57 -0.74 -2.97 116.94 117.32 3ke2 h PHE 18 Ca 0.09 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3ke2 h PHE 18 Cb 0.09 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3ke2 h PHE 18 CO 0.00 0.65 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.56 3ke2 h LEU 19 N -0.39 0.00 -0.56 0.59 3.38 -0.75 -1.44 115.31 116.14 3ke2 h LEU 19 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ke2 h LEU 19 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3ke2 h LEU 19 CO 0.02 0.10 -0.14 -0.09 0.09 0.00 0.00 178.44 178.41 3ke2 h ARG 20 N 0.00 1.00 -0.51 1.13 2.43 -1.22 0.86 114.38 118.08 3ke2 h ARG 20 Ca -0.00 -0.39 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 3ke2 h ARG 20 Cb 0.20 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3ke2 h ARG 20 CO 0.01 1.07 -0.04 0.87 -1.51 0.00 0.00 179.97 180.36 3ke2 h LYS 21 N 0.88 0.93 -0.23 0.20 1.57 -1.13 -1.10 116.57 117.69 3ke2 h LYS 21 Ca 0.13 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 3ke2 h LYS 21 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3ke2 h LYS 21 CO 0.05 0.97 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.61 3ke2 h LEU 22 N 0.79 0.43 -0.17 2.94 4.07 -1.04 -1.63 115.31 120.69 3ke2 h LEU 22 Ca 0.14 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 3ke2 h LEU 22 Cb 0.58 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 3ke2 h LEU 22 CO 0.03 0.66 -0.14 0.22 -1.08 0.00 0.00 178.44 178.14 3ke2 h TYR 23 N 0.38 0.47 -0.25 1.13 3.20 -0.59 -0.97 116.97 120.34 3ke2 h TYR 23 Ca 0.06 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3ke2 h TYR 23 Cb 0.62 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3ke2 h TYR 23 CO 0.02 0.75 0.16 -0.07 -1.64 0.00 0.00 178.16 177.38 3ke2 h LEU 24 N 0.05 0.29 -1.11 2.82 3.38 -1.09 -0.55 115.31 119.11 3ke2 h LEU 24 Ca 0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3ke2 h LEU 24 Cb 0.66 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3ke2 h LEU 24 CO 0.04 0.23 0.60 0.00 0.09 0.00 0.00 178.44 179.40 3ke2 h ALA 25 N 1.08 1.51 -0.21 1.53 0.00 -1.23 -1.20 119.26 120.74 3ke2 h ALA 25 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ke2 h ALA 25 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ke2 h ALA 25 CO -0.02 0.34 0.03 1.25 0.00 0.00 0.00 179.25 180.85 3ke2 h HIS 26 N 1.04 0.37 0.00 0.00 -0.00 -0.53 -1.80 115.15 114.23 3ke2 h HIS 26 Ca 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 3ke2 h HIS 26 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3ke2 h HIS 26 CO -0.00 0.49 0.00 1.28 -0.00 0.00 0.00 177.93 179.70 3ke2 n LEU 27 N -4.73 0.00 0.00 0.26 4.77 -0.27 -2.24 117.00 114.78 3ke2 n LEU 27 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3ke2 n LEU 27 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3ke2 n LEU 27 CO 0.36 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.75 3ke2 n ASP 29 N 0.57 0.00 0.01 -1.43 2.03 -0.68 -2.55 116.55 114.50 3ke2 n ASP 29 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 3ke2 n ASP 29 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3ke2 n ASP 29 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ke2 n ASP 30 N 0.00 0.69 -3.59 1.67 9.92 -0.95 -4.98 116.55 119.32 3ke2 n ASP 30 Ca 0.00 -0.49 -0.12 0.00 -0.53 0.00 0.00 54.79 53.66 3ke2 n ASP 30 Cb 0.00 0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 41.19 3ke2 n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ke2 s ALA 31 N -3.08 -1.14 -0.39 2.24 0.00 -1.06 -5.13 121.76 113.20 3ke2 s ALA 31 Ca 0.07 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 3ke2 s ALA 31 Cb 0.16 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3ke2 s ALA 31 CO 0.80 -0.62 1.07 1.03 0.00 0.00 0.00 175.76 178.04 3ke2 s ARG 32 N -3.37 3.88 0.16 0.00 0.52 -1.26 -4.97 118.95 113.90 3ke2 s ARG 32 Ca 0.00 0.76 0.08 0.00 -0.52 0.00 0.00 55.73 56.05 3ke2 s ARG 32 Cb 0.01 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3ke2 s ARG 32 CO -0.09 -1.11 -0.16 -1.01 0.02 0.00 0.00 175.30 172.95 3ke2 s HIS 33 N 3.94 1.67 0.25 -0.53 3.76 -1.26 -4.99 115.29 118.13 3ke2 s HIS 33 Ca 0.45 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 3ke2 s HIS 33 Cb -0.10 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 3ke2 s HIS 33 CO 0.23 0.27 0.12 0.27 -0.85 0.00 0.00 174.74 174.78 3ke2 n ASN 34 N 0.24 0.72 -0.17 1.40 0.23 -1.26 -0.22 115.26 116.21 3ke2 n ASN 34 Ca -0.13 -2.42 -0.06 0.00 -0.53 0.00 0.00 54.58 51.44 3ke2 n ASN 34 Cb 0.58 0.78 0.03 0.00 -2.08 0.00 0.00 39.78 39.09 3ke2 n ASN 34 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3ke2 h LEU 35 N 0.00 0.51 -0.68 -4.53 3.38 -1.98 0.60 115.31 112.60 3ke2 h LEU 35 Ca -0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ke2 h LEU 35 Cb 0.79 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3ke2 h LEU 35 CO 0.30 0.37 0.33 0.25 0.09 0.00 0.00 178.44 179.78 3ke2 h LEU 36 N 0.62 0.89 -0.20 1.67 5.85 -1.99 0.25 115.31 122.39 3ke2 h LEU 36 Ca 0.19 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3ke2 h LEU 36 Cb -0.01 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3ke2 h LEU 36 CO -0.07 0.77 -0.30 0.77 -0.34 0.00 0.00 178.44 179.27 3ke2 h SER 37 N 0.95 0.61 -0.76 1.25 4.64 -1.87 -2.70 113.55 115.68 3ke2 h SER 37 Ca 0.24 -0.52 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 3ke2 h SER 37 Cb 0.11 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 3ke2 h SER 37 CO -0.03 1.01 0.50 -0.07 -0.87 0.00 0.00 176.83 177.37 3ke2 h LEU 38 N 0.23 0.80 -0.29 5.97 3.38 -0.68 -2.23 115.31 122.48 3ke2 h LEU 38 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ke2 h LEU 38 Cb 0.87 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ke2 h LEU 38 CO 0.07 0.55 0.07 1.23 0.09 0.00 0.00 178.44 180.45 3ke2 h GLY 39 N 0.93 0.50 1.65 0.83 0.00 -0.79 -0.98 103.07 105.21 3ke2 h GLY 39 Ca 0.30 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 3ke2 h GLY 39 CO -0.09 0.29 -0.29 0.50 0.00 0.00 0.00 176.54 176.96 3ke2 h LYS 40 N 0.30 0.41 0.12 4.80 1.57 -1.25 0.74 116.57 123.27 3ke2 h LYS 40 Ca 0.09 -0.16 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 3ke2 h LYS 40 Cb 0.29 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.60 3ke2 h LYS 40 CO 0.00 0.66 -1.13 1.25 -0.57 0.00 0.00 179.45 179.66 3ke2 h LEU 41 N 0.36 0.78 0.00 2.94 5.85 -1.32 -2.94 115.31 120.98 3ke2 h LEU 41 Ca 0.05 -0.84 -0.02 0.00 0.84 0.00 0.00 57.88 57.91 3ke2 h LEU 41 Cb 0.69 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3ke2 h LEU 41 CO 0.05 1.55 -1.93 0.35 -0.34 0.00 0.00 178.44 178.12 3ke2 n THR 42 N -3.89 0.07 -1.04 1.05 -2.24 -0.38 -3.48 114.28 104.37 3ke2 n THR 42 Ca -0.14 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3ke2 n THR 42 Cb 0.94 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.40 -0.82 3.58 3.38 0.00 0.25 -3.23 105.19 109.76 3ke2 n GLY 43 Ca -0.05 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.69 1.94 0.35 1.61 0.04 -1.26 -5.01 135.00 131.99 3ke2 s PRO 45 Ca 0.00 -1.81 0.11 0.00 0.04 0.00 0.00 61.00 59.33 3ke2 s PRO 45 Cb 0.00 -1.83 0.87 0.00 0.04 0.00 0.00 34.50 33.58 3ke2 s PRO 45 CO 0.00 0.17 1.82 -0.09 0.04 0.00 0.00 177.00 178.94 3ke2 h ARG 46 N 1.94 0.61 -0.23 4.56 2.43 -1.97 -2.01 114.38 119.72 3ke2 h ARG 46 Ca -0.42 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3ke2 h ARG 46 Cb 1.25 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3ke2 h ARG 46 CO 0.67 0.41 -0.27 -0.09 -1.51 0.00 0.00 179.97 179.18 3ke2 h ARG 47 N 0.63 0.58 -0.73 0.20 9.65 -2.01 -0.74 114.38 121.96 3ke2 h ARG 47 Ca 0.52 -0.32 0.06 0.00 -1.10 0.00 0.00 59.98 59.14 3ke2 h ARG 47 Cb 0.97 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 3ke2 h ARG 47 CO -0.27 0.92 0.48 1.15 2.80 0.00 0.00 179.97 185.05 3ke2 h THR 48 N 0.28 1.03 0.19 0.20 2.02 -1.81 -0.16 112.91 114.65 3ke2 h THR 48 Ca 0.03 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3ke2 h THR 48 Cb 0.83 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ke2 h THR 48 CO 0.06 0.14 -0.09 -0.07 0.37 0.00 0.00 175.52 175.93 3ke2 h LEU 49 N 0.77 -0.22 -0.52 2.58 3.38 -1.24 -1.23 115.31 118.85 3ke2 h LEU 49 Ca 0.31 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3ke2 h LEU 49 Cb 0.24 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3ke2 h LEU 49 CO -0.10 0.21 0.18 1.56 0.09 0.00 0.00 178.44 180.38 3ke2 h GLN 50 N -0.69 0.35 -0.55 1.13 4.20 -0.77 -0.25 115.11 118.52 3ke2 h GLN 50 Ca -0.03 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3ke2 h GLN 50 Cb 0.49 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3ke2 h GLN 50 CO 0.04 0.23 -0.03 -0.44 -0.67 0.00 0.00 178.83 177.96 3ke2 h ASP 51 N 0.36 0.94 0.00 1.46 5.19 -1.08 0.42 116.42 123.70 3ke2 h ASP 51 Ca 0.25 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3ke2 h ASP 51 Cb 0.28 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3ke2 h ASP 51 CO -0.26 1.01 -0.00 0.00 -3.12 0.00 0.00 179.24 176.87 3ke2 h ALA 52 N 1.09 -0.00 -0.98 3.45 0.00 -0.72 -2.50 119.26 119.60 3ke2 h ALA 52 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ke2 h ALA 52 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3ke2 h ALA 52 CO 0.03 -0.34 0.63 0.82 0.00 0.00 0.00 179.25 180.38 3ke2 h ILE 53 N -0.32 1.26 -0.35 0.00 2.04 -0.96 -1.08 117.51 118.09 3ke2 h ILE 53 Ca -0.00 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3ke2 h ILE 53 Cb 0.32 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3ke2 h ILE 53 CO 0.00 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.65 3ke2 h ALA 54 N 1.35 2.01 -0.55 1.87 0.00 -0.00 -2.25 119.26 121.68 3ke2 h ALA 54 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ke2 h ALA 54 Cb -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ke2 h ALA 54 CO -0.07 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 3ke2 n SER 55 N -4.48 3.07 -0.29 0.00 3.41 -0.42 -4.30 113.62 110.61 3ke2 n SER 55 Ca 0.04 -1.99 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 3ke2 n SER 55 Cb 0.24 -0.37 0.21 0.00 -0.26 0.00 0.00 64.21 64.04 3ke2 n SER 55 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ke2 h PHE 56 N 3.42 1.06 -0.57 7.33 -1.00 -1.25 -0.86 116.94 125.07 3ke2 h PHE 56 Ca 0.00 0.03 0.12 0.00 2.81 0.00 0.00 57.97 60.92 3ke2 h PHE 56 Cb 0.78 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 3ke2 h PHE 56 CO 0.37 0.62 0.39 0.00 -1.61 0.00 0.00 178.31 178.08 3ke2 h ALA 57 N 1.49 2.18 -0.19 2.45 0.00 -1.73 -0.61 119.26 122.85 3ke2 h ALA 57 Ca 0.34 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.30 3ke2 h ALA 57 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ke2 h ALA 57 CO -0.10 -0.32 0.14 -0.44 0.00 0.00 0.00 179.25 178.53 3ke2 h ASP 58 N 0.26 0.00 -0.21 0.00 3.32 -1.45 -2.10 116.42 116.24 3ke2 h ASP 58 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ke2 h ASP 58 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ke2 h ASP 58 CO -0.06 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.76 3ke2 n ILE 59 N -4.40 1.80 -0.96 0.35 -5.35 -0.29 -4.99 119.36 105.52 3ke2 n ILE 59 Ca 0.02 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 3ke2 n ILE 59 Cb 0.28 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 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 -0.45 0.50 3.56 3.28 0.00 -0.79 -4.60 105.19 106.70 3ke2 n GLY 60 Ca 0.16 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 5.05 -0.27 -0.61 1.01 -0.88 -3.62 121.20 119.89 3ke2 s ILE 61 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.85 3ke2 s ILE 61 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3ke2 s ILE 61 CO 0.00 -0.15 0.43 -1.61 0.00 0.00 0.00 174.94 173.61 3ke2 s GLU 62 N 2.31 4.02 -0.02 2.79 2.02 -0.43 -3.19 118.70 126.18 3ke2 s GLU 62 Ca 0.18 0.12 0.06 0.00 0.02 0.00 0.00 54.97 55.35 3ke2 s GLU 62 Cb -0.16 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.39 3ke2 s GLU 62 CO 0.12 -0.32 -0.21 0.54 0.02 0.00 0.00 175.26 175.42 3ke2 s VAL 63 N 2.16 2.52 0.28 2.63 0.11 -1.26 0.77 120.40 127.61 3ke2 s VAL 63 Ca 0.17 -0.97 0.12 0.00 -2.93 0.00 0.00 61.98 58.37 3ke2 s VAL 63 Cb -0.16 -1.94 -0.05 0.00 -1.53 0.00 0.00 36.38 32.70 3ke2 s VAL 63 CO 0.10 0.56 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.62 3ke2 s GLU 64 N -0.75 1.68 -0.17 1.54 2.02 0.52 -4.88 118.70 118.66 3ke2 s GLU 64 Ca 0.11 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.33 3ke2 s GLU 64 Cb -0.10 -1.76 0.01 0.00 0.10 0.00 0.00 34.13 32.37 3ke2 s GLU 64 CO 0.00 0.32 -0.17 0.12 0.02 0.00 0.00 175.26 175.55 3ke2 s PHE 65 N -2.52 2.79 -0.02 1.61 5.36 -1.26 -0.55 117.98 123.39 3ke2 s PHE 65 Ca 0.30 -1.34 0.07 0.00 -0.96 0.00 0.00 56.93 55.00 3ke2 s PHE 65 Cb -0.05 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 3ke2 s PHE 65 CO 0.15 -0.65 -0.23 0.08 -1.46 0.00 0.00 175.22 173.10 3ke2 s VAL 66 N 1.12 2.31 0.29 3.12 1.01 0.22 -4.91 120.40 123.56 3ke2 s VAL 66 Ca 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3ke2 s VAL 66 Cb -0.14 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 3ke2 s VAL 66 CO -0.06 0.55 -0.02 -1.10 0.00 0.00 0.00 175.10 174.47 3ke2 s GLN 67 N -0.73 1.55 0.87 2.72 -0.21 -1.26 -1.16 119.66 121.45 3ke2 s GLN 67 Ca 0.11 -1.81 -0.10 0.00 0.02 0.00 0.00 55.36 53.58 3ke2 s GLN 67 Cb -0.10 -1.01 0.12 0.00 1.00 0.00 0.00 33.01 33.02 3ke2 s GLN 67 CO -0.00 -0.04 1.13 0.16 -2.12 0.00 0.00 175.29 174.41 3ke2 s ASP 68 N -3.44 3.38 0.28 5.90 -4.77 -1.26 -4.91 116.67 111.86 3ke2 s ASP 68 Ca 0.31 2.06 -0.03 0.00 -3.30 0.00 0.00 52.55 51.60 3ke2 s ASP 68 Cb 0.06 -2.55 0.41 0.00 -1.09 0.00 0.00 42.92 39.74 3ke2 s ASP 68 CO 0.12 -2.79 1.93 1.23 0.70 0.00 0.00 175.17 176.36 3ke2 h GLY 69 N -1.65 1.33 1.60 2.12 0.00 -2.01 -1.29 103.07 103.17 3ke2 h GLY 69 Ca -0.43 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3ke2 h GLY 69 CO 0.45 0.41 0.00 1.18 0.00 0.00 0.00 176.54 178.58 3ke2 n GLU 70 N -4.43 0.33 -3.95 4.80 1.02 -1.26 -4.92 120.64 112.22 3ke2 n GLU 70 Ca 0.12 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 3ke2 n GLU 70 Cb 0.09 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.30 -4.63 -0.07 3.49 1.74 -0.49 -4.85 116.66 110.55 3ke2 n ARG 71 Ca 0.11 0.53 -0.07 0.00 -0.77 0.00 0.00 57.85 57.64 3ke2 n ARG 71 Cb 0.20 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.31 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 -4.52 0.00 -1.80 -1.55 8.25 -1.26 -5.02 115.22 109.31 3ke2 n HIS 72 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 3ke2 n HIS 72 Cb 0.56 -0.64 0.05 0.00 1.12 0.00 0.00 29.99 31.08 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 -4.81 5.42 0.35 0.41 0.01 -1.26 -5.02 114.94 110.04 3ke2 s ASN 73 Ca -0.10 1.24 -0.26 0.00 -0.71 0.00 0.00 52.86 53.04 3ke2 s ASN 73 Cb 0.04 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.53 3ke2 s ASN 73 CO 0.50 -1.37 1.02 0.00 -1.51 0.00 0.00 177.10 175.75 3ke2 s ALA 74 N -3.27 3.19 0.92 0.60 0.00 -1.26 -4.78 121.76 117.15 3ke2 s ALA 74 Ca 0.58 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 3ke2 s ALA 74 Cb -0.12 -3.25 0.15 0.00 0.00 0.00 0.00 23.12 19.90 3ke2 s ALA 74 CO 0.53 -0.07 0.90 0.41 0.00 0.00 0.00 175.76 177.52 3ke2 n GLY 75 N 0.58 -0.95 3.15 0.00 0.00 -1.26 -4.85 105.19 101.86 3ke2 n GLY 75 Ca 0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 3ke2 n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ke2 s TYR 76 N -2.87 0.05 0.33 1.61 1.13 -0.30 -4.56 117.35 112.74 3ke2 s TYR 76 Ca 0.52 -0.21 -0.21 0.00 -1.41 0.00 0.00 57.07 55.76 3ke2 s TYR 76 Cb -0.02 -0.04 -0.10 0.00 -1.10 0.00 0.00 41.96 40.71 3ke2 s TYR 76 CO 0.36 -0.37 0.86 0.71 -2.51 0.00 0.00 175.55 174.60 3ke2 s TYR 77 N -2.05 3.51 0.00 -3.49 2.02 0.69 -0.61 117.35 117.43 3ke2 s TYR 77 Ca -0.09 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 3ke2 s TYR 77 Cb -0.04 -2.76 -0.01 0.00 -0.40 0.00 0.00 41.96 38.76 3ke2 s TYR 77 CO -0.01 0.13 -0.01 0.50 -1.57 0.00 0.00 175.55 174.58 3ke2 s ARG 78 N -2.53 0.13 -0.37 -0.62 3.52 0.29 -4.55 118.95 114.81 3ke2 s ARG 78 Ca 0.53 -0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.71 3ke2 s ARG 78 Cb -0.14 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3ke2 s ARG 78 CO 0.19 0.01 0.87 0.42 -0.81 0.00 0.00 175.30 175.97 3ke2 s ILE 79 N -0.34 4.64 0.04 4.11 -1.09 -1.26 -0.35 121.20 126.94 3ke2 s ILE 79 Ca -0.03 1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 59.24 3ke2 s ILE 79 Cb -0.02 -4.29 -0.18 0.00 -1.58 0.00 0.00 42.46 36.39 3ke2 s ILE 79 CO -0.00 -0.51 1.24 -0.09 -1.23 0.00 0.00 174.94 174.34 3ke2 h ARG 80 N 8.51 0.48 -2.34 2.79 2.43 0.01 -3.46 114.38 122.80 3ke2 h ARG 80 Ca -0.24 -0.37 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 3ke2 h ARG 80 Cb 1.08 0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.49 3ke2 h ARG 80 CO 0.96 1.00 -0.02 -0.08 -1.51 0.00 0.00 179.97 180.32 3ke2 s THR 81 N -3.74 0.01 -0.45 0.20 -1.32 -1.05 -4.99 115.64 104.30 3ke2 s THR 81 Ca -0.13 -0.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.54 3ke2 s THR 81 Cb 0.05 -0.82 0.21 0.00 -1.51 0.00 0.00 72.50 70.43 3ke2 s THR 81 CO 0.81 -0.03 1.45 -0.50 -2.21 0.00 0.00 174.62 174.15 3ke2 h TRP 82 N 4.72 0.00 0.00 9.09 4.06 -1.87 -1.15 115.95 130.80 3ke2 h TRP 82 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3ke2 h TRP 82 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3ke2 h TRP 82 CO 0.40 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.69 3ke2 n GLY 83 N 1.18 3.80 0.00 1.49 0.00 -1.24 -1.83 105.19 108.59 3ke2 n GLY 83 Ca 0.03 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.44 -3.40 1.61 -0.04 -1.26 -4.77 135.00 141.58 3ke2 n PRO 84 Ca 0.00 0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 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 -2.45 5.09 -0.41 0.52 -1.09 -0.76 -5.05 121.20 117.06 3ke2 s ILE 85 Ca 0.26 0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 59.36 3ke2 s ILE 85 Cb 0.16 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 3ke2 s ILE 85 CO 0.35 0.45 0.71 -0.55 -1.23 0.00 0.00 174.94 174.67 3ke2 s SER 86 N -0.22 6.41 0.25 3.58 0.15 -1.26 -4.79 113.70 117.82 3ke2 s SER 86 Ca 0.25 -0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 3ke2 s SER 86 Cb -0.16 -2.36 0.30 0.00 -1.71 0.00 0.00 66.02 62.09 3ke2 s SER 86 CO 0.12 -0.78 1.75 0.77 1.20 0.00 0.00 173.24 176.30 3ke2 h SER 87 N 8.76 0.81 -0.07 5.45 4.64 -1.96 -2.97 113.55 128.21 3ke2 h SER 87 Ca -0.25 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3ke2 h SER 87 Cb 1.10 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3ke2 h SER 87 CO 0.91 0.87 0.06 0.00 -0.87 0.00 0.00 176.83 177.79 3ke2 h ALA 88 N 1.22 1.86 0.00 5.18 0.00 -2.04 -3.16 119.26 122.33 3ke2 h ALA 88 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ke2 h ALA 88 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ke2 h ALA 88 CO 0.02 -0.09 0.00 1.87 0.00 0.00 0.00 179.25 181.05 3ke2 n TRP 89 N -4.20 0.00 0.00 0.00 -0.00 -1.12 -3.06 117.44 109.05 3ke2 n TRP 89 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.43 3ke2 n TRP 89 Cb 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 31.31 31.38 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 0.75 0.00 0.09 5.87 8.00 -1.19 -2.53 116.55 127.53 3ke2 n ASP 91 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3ke2 n ASP 91 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.59 -0.39 -3.53 2.02 -1.88 -3.36 112.91 107.36 3ke2 h THR 92 Ca 0.00 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.28 3ke2 h THR 92 Cb 0.00 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 3ke2 h THR 92 CO 0.00 0.83 0.00 1.41 0.37 0.00 0.00 175.52 178.13 3ke2 n HIS 93 N -3.54 0.75 -0.03 3.16 8.25 -1.05 -4.79 115.22 117.97 3ke2 n HIS 93 Ca -0.02 -0.60 -0.10 0.00 -0.26 0.00 0.00 57.72 56.75 3ke2 n HIS 93 Cb 0.84 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.79 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 2.41 0.30 -0.47 1.59 2.07 -1.86 -0.82 116.25 119.47 3ke2 h VAL 94 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3ke2 h VAL 94 Cb 1.01 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3ke2 h VAL 94 CO 0.08 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.29 3ke2 h ASP 95 N -0.35 0.21 -0.08 0.57 5.19 -1.91 0.53 116.42 120.58 3ke2 h ASP 95 Ca 0.11 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3ke2 h ASP 95 Cb 0.53 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 3ke2 h ASP 95 CO -0.39 0.15 0.03 -0.08 -3.12 0.00 0.00 179.24 175.84 3ke2 h GLU 96 N 0.36 0.07 -0.51 3.56 4.81 -1.80 -2.41 114.58 118.67 3ke2 h GLU 96 Ca 0.22 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3ke2 h GLU 96 Cb 0.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3ke2 h GLU 96 CO -0.21 0.05 0.02 0.28 -0.73 0.00 0.00 179.01 178.42 3ke2 h VAL 97 N 0.08 1.26 -0.84 0.32 2.07 -0.85 -2.43 116.25 115.86 3ke2 h VAL 97 Ca 0.03 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ke2 h VAL 97 Cb 0.01 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3ke2 h VAL 97 CO -0.03 0.37 0.55 0.50 0.02 0.00 0.00 177.57 178.99 3ke2 h LYS 98 N 0.75 1.08 0.84 1.57 3.64 -0.82 -1.43 116.57 122.20 3ke2 h LYS 98 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3ke2 h LYS 98 Cb 0.50 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3ke2 h LYS 98 CO 0.02 0.71 -0.41 1.03 -2.27 0.00 0.00 179.45 178.54 3ke2 h SER 99 N 1.11 -0.96 -1.01 4.20 0.87 -1.30 -2.36 113.55 114.11 3ke2 h SER 99 Ca 0.32 0.02 0.23 0.00 -1.23 0.00 0.00 61.79 61.13 3ke2 h SER 99 Cb -0.09 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.00 3ke2 h SER 99 CO -0.08 -0.64 0.61 -0.07 -0.53 0.00 0.00 176.83 176.12 3ke2 h LEU 100 N -1.23 0.68 -0.18 2.23 3.38 -1.23 0.16 115.31 119.12 3ke2 h LEU 100 Ca -0.12 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ke2 h LEU 100 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ke2 h LEU 100 CO 0.19 0.16 0.00 0.18 0.09 0.00 0.00 178.44 179.06 3ke2 n LEU 101 N -4.81 0.60 -1.21 1.67 4.77 -0.56 -4.84 117.00 112.61 3ke2 n LEU 101 Ca 0.26 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.72 3ke2 n LEU 101 Cb 0.71 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3ke2 n LEU 101 CO 0.19 -0.25 -0.07 0.61 -1.33 0.00 0.00 177.39 176.54 3ke2 n GLY 102 N 0.92 0.06 3.67 -0.72 0.00 0.55 -4.98 105.19 104.70 3ke2 n GLY 102 Ca 0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3ke2 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ke2 s VAL 103 N -2.61 4.08 -0.18 1.61 1.01 -0.92 -5.00 120.40 118.39 3ke2 s VAL 103 Ca 0.06 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 3ke2 s VAL 103 Cb -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3ke2 s VAL 103 CO 0.07 -0.08 -0.12 -0.62 0.00 0.00 0.00 175.10 174.35 3ke2 s ASP 104 N 2.06 3.78 -0.58 3.32 2.15 -1.20 -4.89 116.67 121.31 3ke2 s ASP 104 Ca 0.59 -0.47 -0.27 0.00 0.43 0.00 0.00 52.55 52.83 3ke2 s ASP 104 Cb -0.26 -1.61 -0.02 0.00 -0.30 0.00 0.00 42.92 40.74 3ke2 s ASP 104 CO 0.20 0.04 1.84 -0.62 -0.17 0.00 0.00 175.17 176.46 3ke2 s ASP 105 N 1.12 5.36 0.40 -0.34 -1.08 -1.23 -3.48 116.67 117.43 3ke2 s ASP 105 Ca 0.01 0.42 0.25 0.00 -0.52 0.00 0.00 52.55 52.71 3ke2 s ASP 105 Cb -0.14 -2.53 1.34 0.00 -1.46 0.00 0.00 42.92 40.12 3ke2 s ASP 105 CO -0.04 -2.29 1.62 0.00 0.52 0.00 0.00 175.17 174.98 3ke2 h ALA 106 N 14.62 2.46 0.00 3.66 0.00 -1.63 0.29 119.26 138.66 3ke2 h ALA 106 Ca -0.27 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ke2 h ALA 106 Cb 1.16 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3ke2 h ALA 106 CO 1.20 -1.11 -0.22 0.28 0.00 0.00 0.00 179.25 179.40 3ke2 h VAL 107 N 0.12 0.92 0.00 0.00 2.07 -1.89 -2.93 116.25 114.53 3ke2 h VAL 107 Ca 0.80 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3ke2 h VAL 107 Cb 2.31 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 3ke2 h VAL 107 CO -0.53 0.22 -0.30 1.23 0.02 0.00 0.00 177.57 178.21 3ke2 h GLY 108 N 0.95 0.00 0.00 2.17 0.00 -0.81 -3.35 103.07 102.03 3ke2 h GLY 108 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3ke2 h GLY 108 CO 0.03 0.00 -0.37 0.06 0.00 0.00 0.00 176.54 176.26 3ke2 h GLN 109 N 0.00 0.00 0.00 4.80 3.07 -1.56 -3.51 115.11 117.91 3ke2 h GLN 109 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ke2 h GLN 109 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 3ke2 h GLN 109 CO 0.04 0.88 0.00 0.00 0.09 0.00 0.00 178.83 179.84