#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ke1 n ASP 2 N 0.00 5.72 -4.81 3.17 2.03 -1.26 -5.01 116.55 116.39 3ke1 n ASP 2 Ca 0.00 -3.16 -0.34 0.00 0.52 0.00 0.00 54.79 51.80 3ke1 n ASP 2 Cb 0.00 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 38.95 3ke1 n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ke1 s PHE 3 N -1.08 3.39 0.00 -0.67 0.08 -1.26 -1.35 117.98 117.09 3ke1 s PHE 3 Ca 0.34 1.66 -0.04 0.00 0.12 0.00 0.00 56.93 59.01 3ke1 s PHE 3 Cb -0.01 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 3ke1 s PHE 3 CO 0.01 -0.09 0.07 1.03 -0.10 0.00 0.00 175.22 176.13 3ke1 s ARG 4 N -2.83 0.37 0.03 0.44 1.81 -0.45 -4.97 118.95 113.34 3ke1 s ARG 4 Ca 0.59 -0.40 0.06 0.00 -1.72 0.00 0.00 55.73 54.26 3ke1 s ARG 4 Cb -0.13 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 3ke1 s ARG 4 CO 0.17 -0.08 -0.14 0.96 -0.68 0.00 0.00 175.30 175.53 3ke1 s ILE 5 N -1.20 3.06 0.15 1.52 -4.36 -1.26 -1.45 121.20 117.66 3ke1 s ILE 5 Ca -0.13 -1.07 0.07 0.00 -0.26 0.00 0.00 60.65 59.26 3ke1 s ILE 5 Cb -0.07 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 3ke1 s ILE 5 CO 0.00 0.35 -0.15 -0.83 0.24 0.00 0.00 174.94 174.55 3ke1 s GLY 6 N -1.46 1.23 0.07 6.27 0.00 -0.37 -3.91 107.32 109.15 3ke1 s GLY 6 Ca 0.16 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.47 3ke1 s GLY 6 CO 0.06 -1.50 -0.08 -0.86 0.00 0.00 0.00 173.10 170.72 3ke1 s GLN 7 N -2.96 0.70 -0.01 2.90 1.03 -1.25 -1.15 119.66 118.91 3ke1 s GLN 7 Ca 0.14 -1.01 -0.05 0.00 0.04 0.00 0.00 55.36 54.48 3ke1 s GLN 7 Cb -0.04 -0.36 0.00 0.00 0.03 0.00 0.00 33.01 32.64 3ke1 s GLN 7 CO 0.04 0.05 0.11 0.20 -2.54 0.00 0.00 175.29 173.15 3ke1 s GLY 8 N -2.16 0.03 0.01 2.60 0.00 0.10 -3.79 107.32 104.11 3ke1 s GLY 8 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3ke1 s GLY 8 CO -0.01 -0.15 -0.07 -0.47 0.00 0.00 0.00 173.10 172.41 3ke1 s TYR 9 N -0.91 0.60 -0.03 1.90 6.14 -1.26 -0.93 117.35 122.85 3ke1 s TYR 9 Ca -0.10 -0.25 -0.25 0.00 0.64 0.00 0.00 57.07 57.11 3ke1 s TYR 9 Cb -0.06 -0.37 0.05 0.00 0.42 0.00 0.00 41.96 42.00 3ke1 s TYR 9 CO 0.01 -0.03 0.54 0.34 0.64 0.00 0.00 175.55 177.04 3ke1 s ASP 10 N -0.69 -0.48 -0.03 4.32 2.15 -0.42 -4.65 116.67 116.87 3ke1 s ASP 10 Ca -0.02 0.47 -0.05 0.00 0.43 0.00 0.00 52.55 53.37 3ke1 s ASP 10 Cb -0.05 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.03 3ke1 s ASP 10 CO 0.00 -0.55 0.13 0.54 -0.17 0.00 0.00 175.17 175.12 3ke1 s VAL 11 N -1.28 0.03 0.04 1.11 0.11 -1.26 -0.62 120.40 118.53 3ke1 s VAL 11 Ca -0.12 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3ke1 s VAL 11 Cb -0.02 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3ke1 s VAL 11 CO 0.07 -0.16 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.63 3ke1 s HIS 12 N -0.50 0.51 0.36 1.54 3.76 -0.76 -5.00 115.29 115.20 3ke1 s HIS 12 Ca -0.06 -0.57 -0.27 0.00 -0.15 0.00 0.00 55.06 54.01 3ke1 s HIS 12 Cb -0.04 -0.33 -0.09 0.00 1.11 0.00 0.00 32.58 33.24 3ke1 s HIS 12 CO 0.01 -0.15 1.21 -0.65 -0.85 0.00 0.00 174.74 174.31 3ke1 s GLN 13 N -1.80 4.25 -0.35 1.40 -0.21 -1.26 -1.14 119.66 120.55 3ke1 s GLN 13 Ca -0.10 1.97 -0.11 0.00 0.02 0.00 0.00 55.36 57.14 3ke1 s GLN 13 Cb -0.08 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 31.03 3ke1 s GLN 13 CO -0.01 -0.19 0.20 -0.51 -2.12 0.00 0.00 175.29 172.66 3ke1 s LEU 14 N -2.07 4.50 0.09 2.90 1.43 0.48 -1.21 118.68 124.80 3ke1 s LEU 14 Ca 0.52 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3ke1 s LEU 14 Cb -0.34 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3ke1 s LEU 14 CO 0.44 -0.29 -0.10 0.68 0.23 0.00 0.00 176.35 177.31 3ke1 s VAL 15 N 1.62 0.85 0.75 -1.59 -7.23 0.29 -4.71 120.40 110.38 3ke1 s VAL 15 Ca 0.04 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 3ke1 s VAL 15 Cb -0.18 -1.25 0.05 0.00 0.56 0.00 0.00 36.38 35.57 3ke1 s VAL 15 CO 0.07 -0.54 1.15 -2.16 -0.31 0.00 0.00 175.10 173.31 3ke1 s PRO 16 N -2.63 2.12 0.00 4.82 0.04 -1.26 -0.06 135.00 138.02 3ke1 s PRO 16 Ca 0.03 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3ke1 s PRO 16 Cb -0.04 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3ke1 s PRO 16 CO -0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.64 3ke1 n GLY 17 N -0.14 0.53 3.26 0.56 0.00 -1.26 -4.84 105.19 103.30 3ke1 n GLY 17 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3ke1 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ke1 s ARG 18 N -0.84 1.51 0.47 1.61 1.81 -1.25 -5.03 118.95 117.21 3ke1 s ARG 18 Ca 0.00 -0.93 -0.18 0.00 -1.72 0.00 0.00 55.73 52.91 3ke1 s ARG 18 Cb 0.00 -1.60 -0.09 0.00 -0.45 0.00 0.00 34.95 32.81 3ke1 s ARG 18 CO 0.00 0.42 0.94 -2.14 -0.68 0.00 0.00 175.30 173.84 3ke1 s PRO 19 N -1.05 4.04 -0.41 3.54 0.02 -1.26 -1.98 135.00 137.90 3ke1 s PRO 19 Ca 0.08 0.96 -0.21 0.00 0.02 0.00 0.00 61.00 61.85 3ke1 s PRO 19 Cb -0.09 -2.19 0.02 0.00 0.02 0.00 0.00 34.50 32.26 3ke1 s PRO 19 CO 0.01 -0.14 0.67 -1.17 -0.33 0.00 0.00 177.00 176.04 3ke1 s LEU 20 N -3.68 4.37 -0.22 -5.54 2.96 -1.26 -3.54 118.68 111.78 3ke1 s LEU 20 Ca 0.59 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3ke1 s LEU 20 Cb -0.10 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.85 3ke1 s LEU 20 CO 0.24 -0.74 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.82 3ke1 s ILE 21 N 2.86 1.65 -0.05 6.68 1.01 -1.26 0.09 121.20 132.19 3ke1 s ILE 21 Ca 0.24 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3ke1 s ILE 21 Cb -0.14 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.55 3ke1 s ILE 21 CO 0.18 0.06 -0.08 -0.63 0.00 0.00 0.00 174.94 174.47 3ke1 s ILE 22 N 1.37 0.80 -1.79 2.92 1.01 -0.72 -4.25 121.20 120.55 3ke1 s ILE 22 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3ke1 s ILE 22 Cb -0.17 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.53 3ke1 s ILE 22 CO -0.07 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3ke1 n GLY 23 N 3.88 -0.15 2.66 6.18 0.00 -1.26 -1.00 105.19 115.50 3ke1 n GLY 23 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3ke1 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ke1 n GLY 24 N -0.95 0.67 3.60 -0.02 0.00 -1.26 -4.44 105.19 102.80 3ke1 n GLY 24 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3ke1 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ke1 s VAL 25 N -2.81 4.70 -0.37 1.61 1.01 -0.17 -5.06 120.40 119.31 3ke1 s VAL 25 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3ke1 s VAL 25 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3ke1 s VAL 25 CO 0.00 0.44 0.97 -0.89 0.00 0.00 0.00 175.10 175.62 3ke1 s THR 26 N 0.54 4.54 -0.22 3.92 2.01 -1.26 -1.76 115.64 123.43 3ke1 s THR 26 Ca 0.03 1.31 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 3ke1 s THR 26 Cb -0.13 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 3ke1 s THR 26 CO 0.01 -0.56 0.04 -0.63 -0.69 0.00 0.00 174.62 172.79 3ke1 s ILE 27 N 3.58 4.23 0.04 1.82 1.01 0.11 -5.01 121.20 126.98 3ke1 s ILE 27 Ca 0.40 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 3ke1 s ILE 27 Cb -0.12 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.35 3ke1 s ILE 27 CO 0.19 0.40 1.51 -2.16 0.00 0.00 0.00 174.94 174.88 3ke1 s PRO 28 N 1.12 4.25 -0.12 2.79 0.04 -1.26 -4.01 135.00 137.82 3ke1 s PRO 28 Ca 0.03 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 3ke1 s PRO 28 Cb -0.14 -3.54 0.10 0.00 0.04 0.00 0.00 34.50 30.96 3ke1 s PRO 28 CO 0.02 -0.63 0.87 -0.47 0.04 0.00 0.00 177.00 176.84 3ke1 s TYR 29 N 2.35 -0.48 0.65 0.56 5.04 -1.26 -5.03 117.35 119.19 3ke1 s TYR 29 Ca 0.68 0.82 0.40 0.00 -2.44 0.00 0.00 57.07 56.53 3ke1 s TYR 29 Cb -0.36 0.44 2.23 0.00 0.35 0.00 0.00 41.96 44.62 3ke1 s TYR 29 CO 0.29 -0.45 2.31 1.05 -1.34 0.00 0.00 175.55 177.41 3ke1 h GLU 30 N 2.72 0.00 -4.81 4.97 4.11 -1.96 -3.44 114.58 116.18 3ke1 h GLU 30 Ca -0.22 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.91 3ke1 h GLU 30 Cb 1.15 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3ke1 h GLU 30 CO 0.34 0.00 -0.64 1.03 0.07 0.00 0.00 179.01 179.81 3ke1 s ARG 31 N -4.26 1.23 0.35 1.06 0.52 -1.26 -4.42 118.95 112.17 3ke1 s ARG 31 Ca -0.05 -1.63 -0.09 0.00 -0.52 0.00 0.00 55.73 53.44 3ke1 s ARG 31 Cb 0.13 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.41 3ke1 s ARG 31 CO 0.43 -0.22 0.60 0.20 0.02 0.00 0.00 175.30 176.33 3ke1 s GLY 32 N -3.23 0.97 -0.11 -3.53 0.00 0.91 -4.05 107.32 98.28 3ke1 s GLY 32 Ca 0.31 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.72 3ke1 s GLY 32 CO 0.08 -0.69 0.36 1.08 0.00 0.00 0.00 173.10 173.94 3ke1 s LEU 33 N -3.15 4.30 -0.13 0.66 1.43 -1.23 -0.55 118.68 120.01 3ke1 s LEU 33 Ca 0.24 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 53.84 3ke1 s LEU 33 Cb -0.02 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3ke1 s LEU 33 CO 0.16 0.13 0.49 -1.48 0.23 0.00 0.00 176.35 175.88 3ke1 s LEU 34 N 0.15 4.26 0.00 1.79 0.05 -0.35 -4.64 118.68 119.94 3ke1 s LEU 34 Ca 0.21 0.81 0.00 0.00 0.05 0.00 0.00 54.13 55.19 3ke1 s LEU 34 Cb -0.14 -2.71 0.00 0.00 -2.05 0.00 0.00 46.19 41.29 3ke1 s LEU 34 CO 0.08 -0.03 0.00 0.61 -0.55 0.00 0.00 176.35 176.46 3ke1 n GLY 35 N 3.35 -1.02 0.00 -3.48 0.00 -1.26 -4.20 105.19 98.58 3ke1 n GLY 35 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3ke1 n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ke1 n ASP 38 N -0.19 0.00 -3.71 1.61 5.75 -1.26 -5.07 116.55 113.68 3ke1 n ASP 38 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.50 3ke1 n ASP 38 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 3ke1 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ke1 n ALA 39 N -0.74 -1.19 -2.45 2.12 0.00 -1.26 -4.69 120.51 112.30 3ke1 n ALA 39 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3ke1 n ALA 39 Cb 0.36 -3.94 -0.03 0.00 0.00 0.00 0.00 19.45 15.84 3ke1 n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ke1 s ASP 40 N -3.09 6.13 0.23 0.00 -1.08 -1.26 -4.84 116.67 112.75 3ke1 s ASP 40 Ca 0.57 -0.94 -0.08 0.00 -0.52 0.00 0.00 52.55 51.58 3ke1 s ASP 40 Cb -0.29 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 38.85 3ke1 s ASP 40 CO 0.71 -1.83 1.87 1.62 0.52 0.00 0.00 175.17 178.05 3ke1 h VAL 41 N 6.66 1.11 0.08 1.11 3.04 -1.90 -1.43 116.25 124.92 3ke1 h VAL 41 Ca 0.02 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 3ke1 h VAL 41 Cb 1.03 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3ke1 h VAL 41 CO 1.34 0.18 -0.04 0.25 -1.01 0.00 0.00 177.57 178.30 3ke1 h LEU 42 N 0.99 -0.09 -0.78 3.16 5.85 -1.89 -2.54 115.31 120.02 3ke1 h LEU 42 Ca 0.33 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3ke1 h LEU 42 Cb 0.03 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3ke1 h LEU 42 CO -0.12 0.15 0.28 -0.07 -0.34 0.00 0.00 178.44 178.34 3ke1 h LEU 43 N -0.33 1.10 -0.35 2.25 3.38 -1.90 -1.91 115.31 117.55 3ke1 h LEU 43 Ca -0.01 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3ke1 h LEU 43 Cb 0.28 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3ke1 h LEU 43 CO 0.02 0.99 0.08 0.45 0.09 0.00 0.00 178.44 180.07 3ke1 h HIS 44 N 1.14 0.13 -0.47 1.13 3.86 -1.24 0.74 115.15 120.45 3ke1 h HIS 44 Ca 0.26 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 3ke1 h HIS 44 Cb 0.26 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3ke1 h HIS 44 CO 0.02 0.03 0.16 0.00 0.86 0.00 0.00 177.93 179.01 3ke1 h ALA 45 N 1.25 0.61 -0.53 2.45 0.00 -1.15 0.53 119.26 122.42 3ke1 h ALA 45 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ke1 h ALA 45 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ke1 h ALA 45 CO -0.21 0.24 0.30 0.82 0.00 0.00 0.00 179.25 180.40 3ke1 h ILE 46 N 0.62 1.18 -0.27 0.00 2.04 -1.14 0.42 117.51 120.34 3ke1 h ILE 46 Ca 0.15 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3ke1 h ILE 46 Cb 0.24 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3ke1 h ILE 46 CO -0.01 0.19 -0.01 0.74 0.00 0.00 0.00 178.15 179.06 3ke1 h THR 47 N 0.71 0.79 -0.93 -0.27 2.02 -0.59 -0.82 112.91 113.83 3ke1 h THR 47 Ca 0.19 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.39 3ke1 h THR 47 Cb 0.04 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 3ke1 h THR 47 CO -0.03 0.01 0.60 0.44 0.37 0.00 0.00 175.52 176.91 3ke1 h ASP 48 N 0.07 0.97 -0.20 4.18 3.45 -0.56 -1.68 116.42 122.66 3ke1 h ASP 48 Ca 0.13 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.51 3ke1 h ASP 48 Cb 0.18 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3ke1 h ASP 48 CO -0.23 0.65 -0.13 0.00 -1.57 0.00 0.00 179.24 177.96 3ke1 h ALA 49 N 1.40 1.14 -0.09 3.45 0.00 -0.22 -0.98 119.26 123.98 3ke1 h ALA 49 Ca 0.38 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ke1 h ALA 49 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ke1 h ALA 49 CO -0.14 0.54 -0.17 -0.07 0.00 0.00 0.00 179.25 179.40 3ke1 h LEU 50 N 0.54 0.30 -0.90 0.00 3.38 -0.85 -1.79 115.31 116.00 3ke1 h LEU 50 Ca 0.10 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.59 3ke1 h LEU 50 Cb 0.54 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3ke1 h LEU 50 CO 0.03 0.81 0.55 -0.26 0.09 0.00 0.00 178.44 179.66 3ke1 h PHE 51 N -0.19 1.00 -0.28 1.13 0.04 -1.31 -2.40 116.94 114.94 3ke1 h PHE 51 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ke1 h PHE 51 Cb 0.76 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3ke1 h PHE 51 CO 0.11 0.46 0.17 0.78 -0.60 0.00 0.00 178.31 179.23 3ke1 h GLY 52 N 0.95 0.39 1.27 -1.45 0.00 -1.12 0.28 103.07 103.39 3ke1 h GLY 52 Ca 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3ke1 h GLY 52 CO -0.21 0.15 0.39 0.00 0.00 0.00 0.00 176.54 176.87 3ke1 h ALA 53 N 1.08 1.37 -0.00 3.60 0.00 -1.15 -2.20 119.26 121.96 3ke1 h ALA 53 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ke1 h ALA 53 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ke1 h ALA 53 CO -0.02 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 3ke1 n ALA 54 N -2.43 2.66 -3.95 0.00 0.00 -0.92 -4.60 120.51 111.26 3ke1 n ALA 54 Ca 0.07 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 3ke1 n ALA 54 Cb 0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3ke1 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ke1 n ALA 55 N -0.79 -1.83 -0.94 0.00 0.00 -0.62 -4.93 120.51 111.40 3ke1 n ALA 55 Ca 0.22 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3ke1 n ALA 55 Cb 0.17 -2.13 0.29 0.00 0.00 0.00 0.00 19.45 17.78 3ke1 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ke1 n LEU 56 N -4.41 4.25 0.00 0.00 4.77 -0.01 -5.03 117.00 116.57 3ke1 n LEU 56 Ca -0.22 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 3ke1 n LEU 56 Cb 0.64 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ke1 n LEU 56 CO 0.76 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 3ke1 n GLY 57 N -0.20 0.78 3.49 -0.72 0.00 -1.26 -4.89 105.19 102.39 3ke1 n GLY 57 Ca 0.22 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3ke1 n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ke1 s ASP 58 N -4.00 0.63 0.23 1.61 1.47 -1.26 -4.19 116.67 111.16 3ke1 s ASP 58 Ca 0.00 -1.36 -0.07 0.00 1.18 0.00 0.00 52.55 52.31 3ke1 s ASP 58 Cb 0.00 0.63 0.27 0.00 -0.34 0.00 0.00 42.92 43.48 3ke1 s ASP 58 CO 0.00 -1.23 1.88 -0.29 0.68 0.00 0.00 175.17 176.20 3ke1 h ILE 59 N 2.18 1.13 0.00 2.11 2.10 -1.91 -2.36 117.51 120.75 3ke1 h ILE 59 Ca -0.28 -0.37 -0.03 0.00 1.08 0.00 0.00 64.86 65.26 3ke1 h ILE 59 Cb 1.24 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3ke1 h ILE 59 CO 0.39 0.19 -0.16 1.23 -1.08 0.00 0.00 178.15 178.72 3ke1 h GLY 60 N 1.06 0.00 1.92 8.18 0.00 -1.98 -0.65 103.07 111.61 3ke1 h GLY 60 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.45 3ke1 h GLY 60 CO -0.12 0.00 -1.05 3.21 0.00 0.00 0.00 176.54 178.58 3ke1 h ARG 61 N 0.00 0.05 0.12 4.80 3.08 -1.82 -3.27 114.38 117.33 3ke1 h ARG 61 Ca -0.00 -0.08 -0.31 0.00 0.07 0.00 0.00 59.98 59.66 3ke1 h ARG 61 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3ke1 h ARG 61 CO 0.02 1.04 -1.55 0.45 -1.07 0.00 0.00 179.97 178.86 3ke1 h HIS 62 N 0.01 0.46 -4.13 3.04 3.86 -1.39 -3.49 115.15 113.51 3ke1 h HIS 62 Ca -0.03 -0.33 -0.20 0.00 -1.16 0.00 0.00 60.37 58.64 3ke1 h HIS 62 Cb 1.81 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 30.22 3ke1 h HIS 62 CO 0.01 1.39 -0.15 1.19 0.86 0.00 0.00 177.93 181.23 3ke1 n PHE 63 N -3.45 0.28 -0.05 2.45 3.72 -0.26 -5.13 117.46 115.02 3ke1 n PHE 63 Ca -0.17 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.41 3ke1 n PHE 63 Cb 1.04 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3ke1 n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ke1 n ALA 73 N -2.45 -1.05 -1.98 4.37 0.00 -1.26 -4.61 120.51 113.53 3ke1 n ALA 73 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3ke1 n ALA 73 Cb 0.21 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.51 3ke1 n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ke1 s ASP 74 N -0.25 5.80 0.61 0.00 1.47 -1.26 -4.87 116.67 118.17 3ke1 s ASP 74 Ca 0.00 1.09 0.37 0.00 1.18 0.00 0.00 52.55 55.19 3ke1 s ASP 74 Cb 0.00 -2.07 2.02 0.00 -0.34 0.00 0.00 42.92 42.53 3ke1 s ASP 74 CO 0.00 -1.05 2.26 0.28 0.68 0.00 0.00 175.17 177.34 3ke1 h SER 75 N -0.34 0.00 -0.13 2.11 0.02 -1.96 -2.26 113.55 110.99 3ke1 h SER 75 Ca -0.45 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.33 3ke1 h SER 75 Cb 1.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.78 3ke1 h SER 75 CO 0.62 0.02 -0.57 0.03 -1.14 0.00 0.00 176.83 175.80 3ke1 h ARG 76 N 0.00 0.61 -0.85 3.45 3.08 -1.98 -1.64 114.38 117.05 3ke1 h ARG 76 Ca -0.00 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3ke1 h ARG 76 Cb 0.11 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3ke1 h ARG 76 CO 0.00 1.11 0.49 0.00 -1.07 0.00 0.00 179.97 180.50 3ke1 h ALA 77 N 0.51 1.09 -0.55 0.04 0.00 -1.81 -0.77 119.26 117.76 3ke1 h ALA 77 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ke1 h ALA 77 Cb 1.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3ke1 h ALA 77 CO 0.12 0.58 0.26 -0.07 0.00 0.00 0.00 179.25 180.14 3ke1 h LEU 78 N 1.18 0.70 -0.28 0.00 3.38 -1.45 0.23 115.31 119.06 3ke1 h LEU 78 Ca 0.30 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3ke1 h LEU 78 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3ke1 h LEU 78 CO -0.05 0.60 -0.12 0.25 0.09 0.00 0.00 178.44 179.21 3ke1 h LEU 79 N 0.78 0.59 -0.44 1.67 5.85 -0.81 -0.16 115.31 122.79 3ke1 h LEU 79 Ca 0.19 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3ke1 h LEU 79 Cb 0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3ke1 h LEU 79 CO -0.03 0.86 0.28 0.03 -0.34 0.00 0.00 178.44 179.24 3ke1 h ARG 80 N 0.33 0.54 -0.72 1.25 3.08 -0.76 -0.85 114.38 117.25 3ke1 h ARG 80 Ca 0.07 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3ke1 h ARG 80 Cb 0.62 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3ke1 h ARG 80 CO 0.04 0.36 0.31 1.49 -1.07 0.00 0.00 179.97 181.10 3ke1 h GLU 81 N 0.56 1.06 -0.07 0.04 4.57 -0.94 -1.30 114.58 118.49 3ke1 h GLU 81 Ca 0.17 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3ke1 h GLU 81 Cb -0.03 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.32 3ke1 h GLU 81 CO -0.05 0.85 -0.31 0.00 -1.18 0.00 0.00 179.01 178.32 3ke1 h ALA 83 N 0.38 1.45 -0.08 0.00 0.00 -0.94 -0.59 119.26 119.48 3ke1 h ALA 83 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ke1 h ALA 83 Cb 0.54 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ke1 h ALA 83 CO -0.31 0.45 0.05 1.03 0.00 0.00 0.00 179.25 180.48 3ke1 h SER 84 N 1.10 0.09 -0.43 0.00 0.87 -0.84 0.19 113.55 114.53 3ke1 h SER 84 Ca 0.36 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 3ke1 h SER 84 Cb 0.05 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3ke1 h SER 84 CO -0.11 0.07 0.21 0.03 -0.53 0.00 0.00 176.83 176.49 3ke1 h ARG 85 N 0.11 0.65 -0.24 2.24 3.08 -0.83 0.83 114.38 120.22 3ke1 h ARG 85 Ca 0.03 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3ke1 h ARG 85 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3ke1 h ARG 85 CO -0.01 0.52 -0.06 0.28 -1.07 0.00 0.00 179.97 179.63 3ke1 h VAL 86 N 0.65 1.28 0.42 2.04 2.07 -0.74 -1.44 116.25 120.53 3ke1 h VAL 86 Ca 0.16 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3ke1 h VAL 86 Cb 0.09 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3ke1 h VAL 86 CO -0.02 0.33 -0.44 0.00 0.02 0.00 0.00 177.57 177.46 3ke1 h ALA 87 N 0.76 -0.97 0.00 1.67 0.00 -0.22 -2.26 119.26 118.24 3ke1 h ALA 87 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ke1 h ALA 87 Cb 0.52 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ke1 h ALA 87 CO 0.02 -1.08 0.16 -0.56 0.00 0.00 0.00 179.25 177.79 3ke1 h GLN 88 N -0.88 0.00 -0.01 0.00 3.07 -0.77 0.74 115.11 117.25 3ke1 h GLN 88 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 3ke1 h GLN 88 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 3ke1 h GLN 88 CO -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 178.83 178.72 3ke1 n ALA 89 N -1.89 2.81 0.00 0.06 0.00 -0.55 -4.92 120.51 116.01 3ke1 n ALA 89 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ke1 n ALA 89 Cb 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3ke1 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ke1 n GLY 90 N 1.26 0.86 3.69 0.00 0.00 0.26 -5.08 105.19 106.18 3ke1 n GLY 90 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3ke1 n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ke1 s PHE 91 N -2.00 3.26 -0.13 1.61 0.08 -0.88 -4.23 117.98 115.69 3ke1 s PHE 91 Ca 0.00 0.18 -0.05 0.00 0.12 0.00 0.00 56.93 57.18 3ke1 s PHE 91 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3ke1 s PHE 91 CO 0.00 0.39 0.06 0.00 -0.10 0.00 0.00 175.22 175.57 3ke1 s ALA 92 N -0.44 3.49 0.01 5.36 0.00 0.58 -3.56 121.76 127.18 3ke1 s ALA 92 Ca 0.09 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 3ke1 s ALA 92 Cb -0.12 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3ke1 s ALA 92 CO 0.02 0.47 1.11 0.42 0.00 0.00 0.00 175.76 177.77 3ke1 s ILE 93 N -0.52 4.42 -0.22 0.00 1.01 -1.26 -1.35 121.20 123.29 3ke1 s ILE 93 Ca 0.10 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.33 3ke1 s ILE 93 Cb -0.12 -4.11 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 3ke1 s ILE 93 CO 0.02 0.10 0.06 0.54 0.00 0.00 0.00 174.94 175.67 3ke1 n ARG 94 N 4.23 0.60 -3.70 2.79 5.12 0.88 -4.95 116.66 121.63 3ke1 n ARG 94 Ca 0.08 0.43 -0.07 0.00 -1.93 0.00 0.00 57.85 56.36 3ke1 n ARG 94 Cb 0.48 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 3ke1 n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ke1 s ASN 95 N -7.03 -0.30 -0.02 0.55 4.22 -1.04 -4.84 114.94 106.48 3ke1 s ASN 95 Ca -0.31 -0.35 0.01 0.00 -2.14 0.00 0.00 52.86 50.07 3ke1 s ASN 95 Cb 0.08 0.58 0.01 0.00 1.28 0.00 0.00 41.25 43.20 3ke1 s ASN 95 CO 0.59 -1.03 -0.04 -0.69 -2.04 0.00 0.00 177.10 173.89 3ke1 s VAL 96 N -3.56 0.41 0.16 3.54 1.01 0.18 -1.42 120.40 120.72 3ke1 s VAL 96 Ca 0.09 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3ke1 s VAL 96 Cb -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3ke1 s VAL 96 CO -0.00 0.16 -0.13 -0.62 0.00 0.00 0.00 175.10 174.51 3ke1 s ASP 97 N 0.49 2.14 0.16 3.32 2.15 -0.52 -0.43 116.67 123.98 3ke1 s ASP 97 Ca -0.06 -0.94 -0.24 0.00 0.43 0.00 0.00 52.55 51.75 3ke1 s ASP 97 Cb -0.09 -0.07 0.06 0.00 -0.30 0.00 0.00 42.92 42.51 3ke1 s ASP 97 CO -0.00 -0.20 0.75 -0.94 -0.17 0.00 0.00 175.17 174.60 3ke1 s SER 98 N -2.94 -0.38 -0.02 -0.34 1.04 -1.02 -0.86 113.70 109.19 3ke1 s SER 98 Ca 0.16 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3ke1 s SER 98 Cb -0.01 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3ke1 s SER 98 CO 0.04 -1.00 0.02 -0.89 0.98 0.00 0.00 173.24 172.39 3ke1 s THR 99 N -3.60 -0.03 -0.21 2.02 2.01 0.19 -1.30 115.64 114.73 3ke1 s THR 99 Ca 0.07 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 3ke1 s THR 99 Cb -0.02 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 3ke1 s THR 99 CO -0.04 0.08 0.16 -0.63 -0.69 0.00 0.00 174.62 173.50 3ke1 s ILE 100 N 0.90 5.38 -0.36 1.82 1.01 0.29 -0.63 121.20 129.61 3ke1 s ILE 100 Ca -0.08 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 3ke1 s ILE 100 Cb -0.11 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 38.91 3ke1 s ILE 100 CO -0.02 0.40 0.15 -0.63 0.00 0.00 0.00 174.94 174.84 3ke1 s ILE 101 N 0.60 3.99 -0.12 2.92 1.01 0.13 -0.27 121.20 129.46 3ke1 s ILE 101 Ca 0.09 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 3ke1 s ILE 101 Cb -0.12 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.10 3ke1 s ILE 101 CO 0.01 -0.26 0.29 0.00 0.00 0.00 0.00 174.94 174.97 3ke1 s ALA 102 N 1.43 -0.69 0.15 9.38 0.00 0.49 -2.32 121.76 130.19 3ke1 s ALA 102 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 3ke1 s ALA 102 Cb -0.20 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3ke1 s ALA 102 CO 0.03 -0.21 1.59 0.37 0.00 0.00 0.00 175.76 177.53 3ke1 h GLN 103 N 7.14 0.86 -3.68 0.00 5.75 -1.80 -3.35 115.11 120.03 3ke1 h GLN 103 Ca -0.39 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 57.74 3ke1 h GLN 103 Cb 1.16 -0.07 -0.13 0.00 1.07 0.00 0.00 27.48 29.51 3ke1 h GLN 103 CO 0.35 0.92 -0.26 0.00 -2.65 0.00 0.00 178.83 177.19 3ke1 s ALA 104 N -4.95 -0.43 0.80 3.38 0.00 -1.26 -4.84 121.76 114.45 3ke1 s ALA 104 Ca -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 3ke1 s ALA 104 Cb 0.11 0.60 0.11 0.00 0.00 0.00 0.00 23.12 23.94 3ke1 s ALA 104 CO 0.82 -0.57 0.68 -0.35 0.00 0.00 0.00 175.76 176.34 3ke1 n PRO 105 N -0.14 -0.29 -2.02 0.00 -0.04 -1.26 -5.06 135.00 126.19 3ke1 n PRO 105 Ca -0.14 -1.38 -0.42 0.00 -0.04 0.00 0.00 63.50 61.52 3ke1 n PRO 105 Cb 0.63 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 3ke1 n PRO 105 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3ke1 s LYS 106 N -4.33 4.23 -0.05 0.54 0.00 -1.26 -4.92 119.74 113.95 3ke1 s LYS 106 Ca 0.41 2.22 0.18 0.00 0.00 0.00 0.00 55.97 58.78 3ke1 s LYS 106 Cb -0.02 -3.53 -0.27 0.00 0.00 0.00 0.00 37.83 34.01 3ke1 s LYS 106 CO 0.28 -0.66 0.34 1.28 0.00 0.00 0.00 175.35 176.59 3ke1 n LEU 107 N 5.31 0.00 -0.34 2.77 4.77 -1.26 -4.63 117.00 123.61 3ke1 n LEU 107 Ca 0.15 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.27 3ke1 n LEU 107 Cb 0.41 0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.86 3ke1 n LEU 107 CO 0.61 0.08 0.77 0.00 -1.33 0.00 0.00 177.39 177.52 3ke1 n ALA 108 N -2.23 0.48 0.27 -1.18 0.00 -1.26 -0.62 120.51 115.98 3ke1 n ALA 108 Ca -0.08 1.06 0.14 0.00 0.00 0.00 0.00 53.44 54.56 3ke1 n ALA 108 Cb 0.58 -0.76 0.68 0.00 0.00 0.00 0.00 19.45 19.96 3ke1 n ALA 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ke1 h PRO 109 N 0.00 0.00 -0.01 0.00 0.11 -2.02 -2.89 132.00 127.19 3ke1 h PRO 109 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3ke1 h PRO 109 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ke1 h PRO 109 CO -0.93 0.00 -0.18 0.72 -0.21 0.00 0.00 178.00 177.40 3ke1 n HIS 110 N -2.49 0.00 0.19 0.65 8.25 0.21 -4.70 115.22 117.34 3ke1 n HIS 110 Ca -0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3ke1 n HIS 110 Cb 0.13 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 3ke1 n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ke1 h ILE 111 N 2.07 0.70 -0.87 1.59 1.08 -1.36 -1.44 117.51 119.27 3ke1 h ILE 111 Ca 0.00 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3ke1 h ILE 111 Cb 0.53 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 3ke1 h ILE 111 CO 0.00 0.03 0.57 0.44 -0.69 0.00 0.00 178.15 178.50 3ke1 h ASP 112 N -0.51 0.92 -0.68 1.72 3.32 -1.84 -0.08 116.42 119.27 3ke1 h ASP 112 Ca -0.04 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3ke1 h ASP 112 Cb 0.38 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3ke1 h ASP 112 CO 0.07 0.62 0.45 0.00 -1.72 0.00 0.00 179.24 178.66 3ke1 h ALA 113 N 1.50 0.86 -0.27 3.45 0.00 -1.80 -0.78 119.26 122.22 3ke1 h ALA 113 Ca 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ke1 h ALA 113 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ke1 h ALA 113 CO -0.11 0.28 0.07 0.52 0.00 0.00 0.00 179.25 180.02 3ke1 h MET 114 N 0.92 0.42 -0.77 0.00 2.86 -0.64 -1.72 114.93 115.99 3ke1 h MET 114 Ca 0.25 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.83 3ke1 h MET 114 Cb -0.11 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3ke1 h MET 114 CO -0.05 0.50 0.48 0.00 1.06 0.00 0.00 176.91 178.90 3ke1 h ARG 115 N 0.26 0.89 -0.33 1.72 3.08 -0.77 -1.33 114.38 117.90 3ke1 h ARG 115 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3ke1 h ARG 115 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ke1 h ARG 115 CO -0.00 0.59 0.13 0.00 -1.07 0.00 0.00 179.97 179.62 3ke1 h ALA 116 N 1.34 0.43 -0.02 0.04 0.00 -0.96 0.51 119.26 120.60 3ke1 h ALA 116 Ca 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ke1 h ALA 116 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ke1 h ALA 116 CO -0.13 0.04 -0.01 -0.91 0.00 0.00 0.00 179.25 178.24 3ke1 h ASN 117 N 0.39 -0.04 0.05 0.00 2.35 -0.90 -1.27 115.58 116.16 3ke1 h ASN 117 Ca 0.11 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ke1 h ASN 117 Cb 0.20 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3ke1 h ASN 117 CO -0.01 -0.02 -0.04 0.40 -1.65 0.00 0.00 177.43 176.11 3ke1 h ILE 118 N -0.01 0.90 -0.51 2.81 2.04 -1.13 -0.40 117.51 121.20 3ke1 h ILE 118 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3ke1 h ILE 118 Cb 0.03 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 3ke1 h ILE 118 CO -0.03 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.25 3ke1 h ALA 119 N 0.84 0.60 -0.48 1.87 0.00 -0.84 0.69 119.26 121.94 3ke1 h ALA 119 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ke1 h ALA 119 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ke1 h ALA 119 CO -0.01 -0.28 0.30 0.00 0.00 0.00 0.00 179.25 179.26 3ke1 h ALA 120 N 1.38 0.61 -0.01 0.00 0.00 -1.08 0.11 119.26 120.26 3ke1 h ALA 120 Ca 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3ke1 h ALA 120 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ke1 h ALA 120 CO -0.31 0.09 -0.39 -0.44 0.00 0.00 0.00 179.25 178.21 3ke1 h ASP 121 N 0.64 0.03 0.11 0.00 3.32 -0.24 -2.81 116.42 117.47 3ke1 h ASP 121 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ke1 h ASP 121 Cb -0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3ke1 h ASP 121 CO -0.03 0.41 -0.32 0.18 -1.72 0.00 0.00 179.24 177.76 3ke1 n LEU 122 N -4.08 1.55 -3.60 1.55 4.77 0.16 -4.39 117.00 112.95 3ke1 n LEU 122 Ca -0.02 -0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 55.21 3ke1 n LEU 122 Cb 0.42 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3ke1 n LEU 122 CO 0.39 0.29 0.23 -0.67 -1.33 0.00 0.00 177.39 176.30 3ke1 n ASP 123 N -0.26 -6.28 -4.77 -1.43 2.03 0.15 -4.98 116.55 101.00 3ke1 n ASP 123 Ca 0.11 -0.55 -0.31 0.00 0.52 0.00 0.00 54.79 54.56 3ke1 n ASP 123 Cb 0.41 -4.95 -0.07 0.00 -0.72 0.00 0.00 41.12 35.79 3ke1 n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ke1 s LEU 124 N -7.30 3.82 0.37 -2.67 1.43 0.04 -5.03 118.68 109.34 3ke1 s LEU 124 Ca 0.59 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 3ke1 s LEU 124 Cb -0.26 -2.43 -0.12 0.00 0.03 0.00 0.00 46.19 43.42 3ke1 s LEU 124 CO 0.72 0.20 1.25 -0.81 0.23 0.00 0.00 176.35 177.94 3ke1 n PRO 125 N 0.66 1.97 -0.34 1.29 -0.04 -1.26 -4.49 135.00 132.79 3ke1 n PRO 125 Ca -0.10 0.70 0.19 0.00 -0.04 0.00 0.00 63.50 64.25 3ke1 n PRO 125 Cb 0.52 -2.29 0.40 0.00 -0.04 0.00 0.00 33.50 32.09 3ke1 n PRO 125 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ke1 h LEU 126 N 2.32 0.64 0.00 1.53 5.85 -1.93 -1.88 115.31 121.84 3ke1 h LEU 126 Ca -0.46 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3ke1 h LEU 126 Cb 1.29 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3ke1 h LEU 126 CO 0.61 0.06 0.00 -0.90 -0.34 0.00 0.00 178.44 177.87 3ke1 n ASP 127 N -4.92 0.00 -0.26 1.25 5.75 -1.26 -1.79 116.55 115.32 3ke1 n ASP 127 Ca 0.28 -1.15 0.03 0.00 -0.01 0.00 0.00 54.79 53.93 3ke1 n ASP 127 Cb 0.79 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.93 3ke1 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ke1 n ARG 128 N -0.57 1.19 -4.89 0.11 1.74 -0.71 -4.97 116.66 108.55 3ke1 n ARG 128 Ca 0.02 -1.25 -0.30 0.00 -0.77 0.00 0.00 57.85 55.56 3ke1 n ARG 128 Cb 0.01 -1.11 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 3ke1 n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ke1 s VAL 129 N -0.70 1.77 0.00 1.55 1.01 -0.74 -0.65 120.40 122.64 3ke1 s VAL 129 Ca 0.08 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3ke1 s VAL 129 Cb 0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3ke1 s VAL 129 CO 0.07 0.49 -0.09 0.21 0.00 0.00 0.00 175.10 175.79 3ke1 s ASN 130 N 0.57 1.01 -0.06 3.32 2.47 0.42 -4.98 114.94 117.70 3ke1 s ASN 130 Ca -0.15 -0.23 0.02 0.00 0.42 0.00 0.00 52.86 52.92 3ke1 s ASN 130 Cb -0.17 -0.09 0.02 0.00 -1.45 0.00 0.00 41.25 39.56 3ke1 s ASN 130 CO 0.05 0.06 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.70 3ke1 s VAL 131 N -0.40 0.92 0.28 -5.21 1.01 -1.26 -2.42 120.40 113.31 3ke1 s VAL 131 Ca 0.01 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.76 3ke1 s VAL 131 Cb -0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3ke1 s VAL 131 CO -0.00 0.31 -0.11 -0.54 0.00 0.00 0.00 175.10 174.76 3ke1 s LYS 132 N 0.80 1.93 0.01 2.72 1.02 -0.42 -4.98 119.74 120.82 3ke1 s LYS 132 Ca -0.12 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.26 3ke1 s LYS 132 Cb -0.15 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3ke1 s LYS 132 CO 0.02 0.32 -0.14 0.00 -0.92 0.00 0.00 175.35 174.63 3ke1 s ALA 133 N -2.45 1.18 0.01 5.17 0.00 -1.26 -0.55 121.76 123.86 3ke1 s ALA 133 Ca 0.31 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3ke1 s ALA 133 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3ke1 s ALA 133 CO 0.17 0.27 0.02 0.15 0.00 0.00 0.00 175.76 176.36 3ke1 s LYS 134 N -0.62 0.26 0.69 0.00 -0.14 0.62 -4.92 119.74 115.64 3ke1 s LYS 134 Ca 0.04 -0.39 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 3ke1 s LYS 134 Cb -0.06 0.10 0.09 0.00 -1.68 0.00 0.00 37.83 36.28 3ke1 s LYS 134 CO 0.00 -0.05 0.96 0.95 -0.76 0.00 0.00 175.35 176.46 3ke1 s THR 135 N -1.02 2.31 -0.22 2.17 -4.23 -1.26 -0.38 115.64 113.01 3ke1 s THR 135 Ca -0.11 -0.49 0.15 0.00 -1.18 0.00 0.00 61.69 60.06 3ke1 s THR 135 Cb -0.07 -2.82 0.65 0.00 1.34 0.00 0.00 72.50 71.60 3ke1 s THR 135 CO -0.00 0.00 1.57 -3.20 -0.54 0.00 0.00 174.62 172.45 3ke1 n ASN 136 N -2.79 4.55 -3.47 3.99 5.15 -1.26 -4.82 115.26 116.61 3ke1 n ASN 136 Ca 0.11 -3.04 -0.25 0.00 -0.60 0.00 0.00 54.58 50.80 3ke1 n ASN 136 Cb 0.60 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 3ke1 n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ke1 n GLU 137 N -0.13 -3.75 -1.73 1.20 -0.58 -1.26 -0.71 120.64 113.68 3ke1 n GLU 137 Ca 0.26 0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 57.34 3ke1 n GLU 137 Cb 1.05 -5.26 -0.06 0.00 -0.57 0.00 0.00 31.44 26.60 3ke1 n GLU 137 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3ke1 n LYS 138 N -3.92 -1.29 -3.75 3.49 2.85 -1.26 -5.00 118.16 109.28 3ke1 n LYS 138 Ca -0.01 1.06 -0.37 0.00 -1.05 0.00 0.00 58.31 57.95 3ke1 n LYS 138 Cb 0.54 -5.38 -0.07 0.00 -0.65 0.00 0.00 35.03 29.48 3ke1 n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ke1 s LEU 139 N -4.33 4.33 0.00 -5.58 1.43 0.11 -4.58 118.68 110.07 3ke1 s LEU 139 Ca 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3ke1 s LEU 139 Cb 0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3ke1 s LEU 139 CO 0.00 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3ke1 n GLY 140 N 2.55 -1.62 0.25 -3.19 0.00 -1.26 -1.40 105.19 100.52 3ke1 n GLY 140 Ca -0.17 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 44.70 3ke1 n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ke1 h TYR 141 N -0.01 0.00 -0.12 1.61 -0.00 -1.97 -1.85 116.97 114.64 3ke1 h TYR 141 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.63 3ke1 h TYR 141 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.74 3ke1 h TYR 141 CO 0.00 0.12 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.90 3ke1 h LEU 142 N 0.00 0.48 -1.34 0.10 3.38 -1.82 0.33 115.31 116.44 3ke1 h LEU 142 Ca -0.00 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 3ke1 h LEU 142 Cb 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ke1 h LEU 142 CO 0.02 0.98 -0.02 1.23 0.09 0.00 0.00 178.44 180.73 3ke1 h GLY 143 N 0.00 0.00 -0.85 0.83 0.00 -0.74 -2.06 103.07 100.25 3ke1 h GLY 143 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ke1 h GLY 143 CO 0.07 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.15 3ke1 n ARG 144 N -3.12 1.81 -2.18 4.80 1.74 -0.74 -4.29 116.66 114.67 3ke1 n ARG 144 Ca 0.01 -1.19 -0.08 0.00 -0.77 0.00 0.00 57.85 55.82 3ke1 n ARG 144 Cb 0.33 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3ke1 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ke1 n GLY 145 N 1.20 0.04 0.08 -0.13 0.00 -0.77 -4.96 105.19 100.65 3ke1 n GLY 145 Ca 0.17 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.78 3ke1 n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ke1 n GLU 146 N -1.81 0.62 -3.93 1.61 1.02 0.11 -4.70 120.64 113.55 3ke1 n GLU 146 Ca -0.10 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 3ke1 n GLU 146 Cb 0.57 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 3ke1 n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ke1 s GLY 147 N -4.40 0.65 -0.02 0.62 0.00 -1.19 -0.38 107.32 102.59 3ke1 s GLY 147 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3ke1 s GLY 147 CO 0.82 -0.53 -0.11 -0.42 0.00 0.00 0.00 173.10 172.86 3ke1 s ILE 148 N -3.10 0.90 0.14 0.90 1.01 -0.30 -4.62 121.20 116.14 3ke1 s ILE 148 Ca 0.20 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3ke1 s ILE 148 Cb -0.03 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3ke1 s ILE 148 CO 0.13 0.27 -0.06 -0.70 0.00 0.00 0.00 174.94 174.58 3ke1 s GLU 149 N 0.08 2.24 -0.00 2.79 2.12 -0.98 -1.82 118.70 123.13 3ke1 s GLU 149 Ca -0.02 -1.08 0.03 0.00 0.36 0.00 0.00 54.97 54.26 3ke1 s GLU 149 Cb -0.08 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 3ke1 s GLU 149 CO 0.01 0.48 -0.10 0.00 -0.54 0.00 0.00 175.26 175.10 3ke1 s ALA 150 N -1.48 0.84 0.02 6.30 0.00 0.21 0.19 121.76 127.84 3ke1 s ALA 150 Ca 0.24 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.81 3ke1 s ALA 150 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3ke1 s ALA 150 CO 0.16 0.19 -0.24 -0.65 0.00 0.00 0.00 175.76 175.23 3ke1 s GLN 151 N -0.37 1.70 0.02 0.00 -0.21 0.19 -1.30 119.66 119.69 3ke1 s GLN 151 Ca 0.03 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 3ke1 s GLN 151 Cb -0.04 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 3ke1 s GLN 151 CO -0.00 0.47 -0.01 0.00 -2.12 0.00 0.00 175.29 173.63 3ke1 s ALA 152 N -0.71 0.06 -0.01 6.09 0.00 -0.11 -0.63 121.76 126.44 3ke1 s ALA 152 Ca 0.09 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.62 3ke1 s ALA 152 Cb -0.09 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3ke1 s ALA 152 CO 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 3ke1 s ALA 153 N -1.33 1.29 -0.02 0.00 0.00 -0.04 -0.72 121.76 120.93 3ke1 s ALA 153 Ca -0.15 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3ke1 s ALA 153 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3ke1 s ALA 153 CO -0.01 0.31 -0.08 0.00 0.00 0.00 0.00 175.76 175.98 3ke1 s ALA 154 N -0.35 0.78 -0.10 0.00 0.00 -0.30 -1.44 121.76 120.36 3ke1 s ALA 154 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3ke1 s ALA 154 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ke1 s ALA 154 CO -0.01 0.14 -0.18 -1.17 0.00 0.00 0.00 175.76 174.54 3ke1 s LEU 155 N 0.11 2.44 0.27 0.00 2.96 -0.51 -1.24 118.68 122.71 3ke1 s LEU 155 Ca -0.02 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3ke1 s LEU 155 Cb -0.07 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 3ke1 s LEU 155 CO 0.00 0.21 0.07 0.68 -1.32 0.00 0.00 176.35 175.98 3ke1 s VAL 156 N 0.09 0.80 -0.03 1.68 -7.23 -0.53 -0.08 120.40 115.10 3ke1 s VAL 156 Ca -0.08 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 3ke1 s VAL 156 Cb -0.15 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.18 3ke1 s VAL 156 CO 0.05 -0.07 0.10 0.54 -0.31 0.00 0.00 175.10 175.41 3ke1 s VAL 157 N -3.58 0.02 -2.27 1.32 0.11 -0.45 -1.35 120.40 114.20 3ke1 s VAL 157 Ca 0.35 -0.14 0.30 0.00 -2.93 0.00 0.00 61.98 59.56 3ke1 s VAL 157 Cb 0.08 -0.20 0.72 0.00 -1.53 0.00 0.00 36.38 35.45 3ke1 s VAL 157 CO 0.13 -0.08 1.97 -2.11 -3.33 0.00 0.00 175.10 171.68