#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k n ALA 2 N 0.00 -0.72 -2.38 4.61 0.00 -1.26 -4.89 120.51 115.87 2k7k n ALA 2 Ca 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2k7k n ALA 2 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 2k7k n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k7k s GLU 3 N -4.96 4.25 -0.43 0.00 2.02 -1.26 -4.90 118.70 113.43 2k7k s GLU 3 Ca 0.00 1.72 0.05 0.00 0.02 0.00 0.00 54.97 56.76 2k7k s GLU 3 Cb 0.00 -3.75 0.29 0.00 0.10 0.00 0.00 34.13 30.77 2k7k s GLU 3 CO 0.00 -0.68 1.13 0.41 0.02 0.00 0.00 175.26 176.14 2k7k n GLY 4 N 3.63 -0.25 3.20 -1.39 0.00 -1.26 -5.06 105.19 104.06 2k7k n GLY 4 Ca 0.14 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 2k7k n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7k n ASN 5 N 0.87 5.40 -4.58 1.61 4.13 -1.26 -4.68 115.26 116.75 2k7k n ASN 5 Ca 0.04 -3.09 -0.40 0.00 1.68 0.00 0.00 54.58 52.81 2k7k n ASN 5 Cb 0.69 -1.47 -0.09 0.00 -1.54 0.00 0.00 39.78 37.38 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k7k s THR 6 N 0.13 5.12 0.28 3.41 2.01 -1.26 -4.93 115.64 120.40 2k7k s THR 6 Ca 0.38 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 2k7k s THR 6 Cb 0.01 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 2k7k s THR 6 CO 0.00 -0.00 1.44 -0.76 -0.69 0.00 0.00 174.62 174.61 2k7k s LEU 7 N 2.17 4.38 0.05 4.42 2.01 -1.26 -1.89 118.68 128.55 2k7k s LEU 7 Ca 0.16 2.75 0.00 0.00 0.01 0.00 0.00 54.13 57.05 2k7k s LEU 7 Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 46.19 42.37 2k7k s LEU 7 CO 0.11 -0.72 -0.04 0.27 1.01 0.00 0.00 176.35 176.98 2k7k s ILE 8 N -0.34 0.28 -0.08 -0.59 -4.36 -0.52 -3.11 121.20 112.48 2k7k s ILE 8 Ca 0.57 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.55 2k7k s ILE 8 Cb -0.43 -1.03 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 2k7k s ILE 8 CO 0.48 -0.75 -0.23 -0.55 0.24 0.00 0.00 174.94 174.12 2k7k s SER 9 N -2.32 2.95 -0.03 4.36 0.15 0.38 -2.91 113.70 116.29 2k7k s SER 9 Ca -0.02 -0.52 -0.30 0.00 0.70 0.00 0.00 55.95 55.81 2k7k s SER 9 Cb -0.00 -1.19 0.07 0.00 -1.71 0.00 0.00 66.02 63.18 2k7k s SER 9 CO -0.05 0.17 0.67 0.54 1.20 0.00 0.00 173.24 175.76 2k7k s VAL 10 N 0.23 0.00 0.34 4.45 0.11 -1.14 -1.08 120.40 123.31 2k7k s VAL 10 Ca -0.14 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2k7k s VAL 10 Cb -0.17 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.74 2k7k s VAL 10 CO 0.07 -0.01 0.41 0.47 -3.33 0.00 0.00 175.10 172.71 2k7k n ASP 11 N 0.79 1.51 -4.19 3.54 8.00 -1.26 -1.48 116.55 123.46 2k7k n ASP 11 Ca -0.19 -1.98 -0.11 0.00 0.71 0.00 0.00 54.79 53.21 2k7k n ASP 11 Cb 0.58 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k7k s TYR 12 N -1.30 0.98 -0.24 1.24 1.51 -1.26 -2.88 117.35 115.41 2k7k s TYR 12 Ca 0.31 -1.03 -0.09 0.00 -1.01 0.00 0.00 57.07 55.25 2k7k s TYR 12 Cb -0.02 -0.57 0.10 0.00 -0.11 0.00 0.00 41.96 41.36 2k7k s TYR 12 CO 0.20 -0.27 0.52 -2.00 -1.11 0.00 0.00 175.55 172.89 2k7k s GLU 13 N -3.92 0.44 0.09 -0.62 2.12 -1.11 -3.79 118.70 111.92 2k7k s GLU 13 Ca 0.19 1.17 0.08 0.00 0.36 0.00 0.00 54.97 56.77 2k7k s GLU 13 Cb 0.06 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.89 2k7k s GLU 13 CO -0.00 -0.22 -0.20 0.42 -0.54 0.00 0.00 175.26 174.72 2k7k s ILE 14 N 2.53 1.63 0.27 -3.70 -1.09 -1.26 -2.63 121.20 116.96 2k7k s ILE 14 Ca -0.04 -1.48 0.05 0.00 -2.23 0.00 0.00 60.65 56.95 2k7k s ILE 14 Cb -0.11 -1.48 -0.06 0.00 -1.58 0.00 0.00 42.46 39.23 2k7k s ILE 14 CO -0.15 -0.06 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.12 2k7k s PHE 15 N -1.14 1.83 0.00 3.97 0.40 -1.15 -3.90 117.98 117.99 2k7k s PHE 15 Ca 0.05 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2k7k s PHE 15 Cb -0.10 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.35 2k7k s PHE 15 CO 0.04 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.50 2k7k n GLY 16 N -0.55 0.45 2.29 4.36 0.00 -1.26 -0.62 105.19 109.87 2k7k n GLY 16 Ca -0.05 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 2k7k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k7k n LYS 17 N 0.00 2.24 -0.85 1.61 3.00 -1.24 -4.39 118.16 118.53 2k7k n LYS 17 Ca 0.00 -2.22 -0.06 0.00 -0.00 0.00 0.00 58.31 56.03 2k7k n LYS 17 Cb 0.00 -1.98 0.20 0.00 0.00 0.00 0.00 35.03 33.25 2k7k n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k7k n VAL 18 N 0.46 2.62 -3.26 3.15 0.24 -1.26 -4.07 118.33 116.21 2k7k n VAL 18 Ca 0.44 -2.65 -0.30 0.00 -2.04 0.00 0.00 64.34 59.79 2k7k n VAL 18 Cb 0.55 -0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k n GLN 19 N -1.11 3.07 0.00 7.34 10.64 -1.08 -4.31 117.38 131.93 2k7k n GLN 19 Ca 0.36 -4.68 0.00 0.00 -1.83 0.00 0.00 57.00 50.84 2k7k n GLN 19 Cb 1.10 -2.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k7k n GLY 20 N 0.75 0.70 3.38 2.61 0.00 -1.26 -5.02 105.19 106.35 2k7k n GLY 20 Ca 0.30 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2k7k n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k7k s VAL 21 N -1.04 0.00 -0.68 1.61 -7.23 -1.26 -5.05 120.40 106.74 2k7k s VAL 21 Ca 0.00 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2k7k s VAL 21 Cb 0.00 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 2k7k s VAL 21 CO 0.00 0.00 2.86 0.49 -0.31 0.00 0.00 175.10 178.14 2k7k n PHE 22 N -0.43 1.60 -0.07 2.82 3.72 -1.26 -4.31 117.46 119.53 2k7k n PHE 22 Ca 0.02 -2.17 -0.16 0.00 -0.05 0.00 0.00 57.45 55.09 2k7k n PHE 22 Cb 0.63 -1.63 -0.14 0.00 -0.94 0.00 0.00 39.48 37.40 2k7k n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k7k n PHE 23 N 1.63 0.46 -0.10 1.38 7.35 -1.26 -3.92 117.46 123.00 2k7k n PHE 23 Ca 0.54 0.12 0.25 0.00 -0.76 0.00 0.00 57.45 57.60 2k7k n PHE 23 Cb 0.52 -1.07 0.71 0.00 0.35 0.00 0.00 39.48 39.99 2k7k n PHE 23 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2k7k h ARG 24 N 0.02 0.00 0.00 -4.13 0.11 -2.00 -0.22 114.38 108.16 2k7k h ARG 24 Ca -0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 2k7k h ARG 24 Cb 2.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.11 2k7k h ARG 24 CO 0.01 0.00 -0.02 -0.22 0.10 0.00 0.00 179.97 179.83 2k7k h LYS 25 N 0.00 0.00 -0.23 0.08 3.64 -1.91 -3.09 116.57 115.06 2k7k h LYS 25 Ca 0.35 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.80 2k7k h LYS 25 Cb 1.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2k7k h LYS 25 CO -0.00 0.95 0.22 0.45 -2.27 0.00 0.00 179.45 178.80 2k7k h HIS 26 N -1.00 0.00 0.05 1.91 3.86 -1.43 -2.09 115.15 116.45 2k7k h HIS 26 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2k7k h HIS 26 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2k7k h HIS 26 CO 0.26 0.00 -0.02 1.15 0.86 0.00 0.00 177.93 180.18 2k7k h THR 27 N 0.00 1.32 -0.08 2.45 2.02 -1.15 -2.88 112.91 114.58 2k7k h THR 27 Ca 0.11 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.81 2k7k h THR 27 Cb 0.55 2.28 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 2k7k h THR 27 CO -0.00 0.36 -0.21 -0.61 0.37 0.00 0.00 175.52 175.43 2k7k h GLN 28 N -0.77 -0.28 -0.56 6.66 4.15 -1.31 0.25 115.11 123.24 2k7k h GLN 28 Ca -0.01 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.54 2k7k h GLN 28 Cb 0.65 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2k7k h GLN 28 CO 0.01 -0.19 0.38 0.00 -1.93 0.00 0.00 178.83 177.11 2k7k h ALA 29 N 0.66 2.14 0.02 3.38 0.00 -1.54 -1.28 119.26 122.64 2k7k h ALA 29 Ca 0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 2k7k h ALA 29 Cb 0.41 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k7k h ALA 29 CO -0.25 -0.27 -1.07 1.49 0.00 0.00 0.00 179.25 179.14 2k7k h GLU 30 N 0.29 0.64 -0.01 0.00 4.81 -0.92 -3.18 114.58 116.21 2k7k h GLU 30 Ca 0.26 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2k7k h GLU 30 Cb 0.65 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k7k h GLU 30 CO -0.06 1.31 0.09 0.78 -0.73 0.00 0.00 179.01 180.40 2k7k h GLY 31 N 0.53 0.00 1.64 1.92 0.00 0.63 0.54 103.07 108.33 2k7k h GLY 31 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 2k7k h GLY 31 CO 0.21 0.00 -0.91 1.70 0.00 0.00 0.00 176.54 177.53 2k7k h LYS 32 N 0.00 0.00 0.17 4.80 3.64 -1.49 -1.47 116.57 122.23 2k7k h LYS 32 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k7k h LYS 32 Cb 0.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k7k h LYS 32 CO -0.00 0.50 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.35 2k7k h LYS 33 N 0.00 -0.26 -0.36 1.90 3.64 -0.94 -3.20 116.57 117.35 2k7k h LYS 33 Ca -0.07 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2k7k h LYS 33 Cb 1.53 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 2k7k h LYS 33 CO 0.07 -0.17 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.78 2k7k h LEU 34 N -0.27 0.71 -0.13 5.20 -0.00 -1.74 -3.48 115.31 115.60 2k7k h LEU 34 Ca -0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k7k h LEU 34 Cb 0.22 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2k7k h LEU 34 CO 0.02 0.93 0.00 0.61 -0.00 0.00 0.00 178.44 180.00 2k7k n GLY 35 N -0.27 0.74 1.74 0.83 0.00 -1.06 -5.11 105.19 102.06 2k7k n GLY 35 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2k7k n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k7k n LEU 36 N -0.04 0.00 -4.23 0.99 4.77 -0.58 -5.01 117.00 112.90 2k7k n LEU 36 Ca 0.00 -1.64 -0.15 0.00 -0.03 0.00 0.00 56.01 54.19 2k7k n LEU 36 Cb 0.02 0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 2k7k n LEU 36 CO 0.00 -0.26 -0.17 0.68 -1.33 0.00 0.00 177.39 176.32 2k7k s VAL 37 N -2.41 0.00 0.00 4.08 -7.23 -1.19 -4.65 120.40 109.00 2k7k s VAL 37 Ca 0.13 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2k7k s VAL 37 Cb 0.01 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2k7k s VAL 37 CO 0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2k7k n GLY 38 N -0.44 0.31 3.64 2.32 0.00 -1.22 -2.24 105.19 107.56 2k7k n GLY 38 Ca 0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 2k7k n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7k s TRP 39 N -3.37 -0.25 -0.17 1.61 -2.14 -1.21 -3.37 118.94 110.03 2k7k s TRP 39 Ca 0.00 0.59 -0.07 0.00 2.66 0.00 0.00 56.10 59.28 2k7k s TRP 39 Cb 0.00 0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 30.70 2k7k s TRP 39 CO 0.00 -0.12 0.06 0.08 -2.66 0.00 0.00 176.95 174.30 2k7k s VAL 40 N 0.38 4.74 0.09 -0.66 1.01 -1.19 -2.73 120.40 122.03 2k7k s VAL 40 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2k7k s VAL 40 Cb -0.04 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2k7k s VAL 40 CO -0.12 0.48 -0.09 -1.58 0.00 0.00 0.00 175.10 173.79 2k7k s GLN 41 N 0.25 0.80 -0.05 2.72 0.74 -1.25 -1.44 119.66 121.43 2k7k s GLN 41 Ca 0.03 -1.12 0.03 0.00 0.05 0.00 0.00 55.36 54.35 2k7k s GLN 41 Cb -0.12 -0.46 -0.03 0.00 1.10 0.00 0.00 33.01 33.50 2k7k s GLN 41 CO 0.00 0.06 -0.13 1.21 -0.55 0.00 0.00 175.29 175.89 2k7k s ASN 42 N -2.40 4.13 0.12 6.67 3.84 -1.26 -3.01 114.94 123.03 2k7k s ASN 42 Ca 0.04 -0.17 -0.17 0.00 0.21 0.00 0.00 52.86 52.77 2k7k s ASN 42 Cb -0.03 -0.90 -0.07 0.00 -0.55 0.00 0.00 41.25 39.70 2k7k s ASN 42 CO -0.01 0.35 0.58 0.42 -2.79 0.00 0.00 177.10 175.65 2k7k s THR 43 N -0.75 4.76 0.58 -5.21 -4.23 -0.54 -4.92 115.64 105.34 2k7k s THR 43 Ca 0.12 1.07 0.27 0.00 -1.18 0.00 0.00 61.69 61.97 2k7k s THR 43 Cb -0.11 -3.83 0.34 0.00 1.34 0.00 0.00 72.50 70.25 2k7k s THR 43 CO 0.01 0.38 2.21 0.44 -0.54 0.00 0.00 174.62 177.12 2k7k h ASP 44 N 3.99 0.00 -0.19 3.99 3.32 -2.00 -2.17 116.42 123.36 2k7k h ASP 44 Ca -0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2k7k h ASP 44 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2k7k h ASP 44 CO 0.65 0.00 0.01 0.03 -1.72 0.00 0.00 179.24 178.21 2k7k h ARG 45 N 0.00 0.32 0.00 3.56 2.47 -2.03 -3.47 114.38 115.23 2k7k h ARG 45 Ca 0.02 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2k7k h ARG 45 Cb 0.09 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2k7k h ARG 45 CO -0.00 0.51 0.00 0.41 0.56 0.00 0.00 179.97 181.45 2k7k n GLY 46 N -0.36 0.85 3.69 0.04 0.00 -0.82 -5.07 105.19 103.52 2k7k n GLY 46 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2k7k n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7k s THR 47 N 0.00 1.77 -0.39 2.61 -4.23 -1.26 -2.62 115.64 111.52 2k7k s THR 47 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2k7k s THR 47 Cb 0.00 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.33 2k7k s THR 47 CO 0.00 0.00 0.17 -0.69 -0.54 0.00 0.00 174.62 173.56 2k7k s VAL 48 N -3.22 1.38 -0.44 2.29 1.01 -1.25 -1.46 120.40 118.71 2k7k s VAL 48 Ca 0.70 -2.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.35 2k7k s VAL 48 Cb -0.10 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.32 2k7k s VAL 48 CO 0.55 -0.78 0.46 -1.10 0.00 0.00 0.00 175.10 174.24 2k7k s GLN 49 N 0.84 3.08 0.00 2.72 -0.21 -1.17 -4.12 119.66 120.80 2k7k s GLN 49 Ca 0.14 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2k7k s GLN 49 Cb -0.21 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 29.78 2k7k s GLN 49 CO -0.10 -0.94 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 2k7k n GLY 50 N 5.14 3.67 3.64 3.09 0.00 -1.25 -3.90 105.19 115.59 2k7k n GLY 50 Ca -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 2k7k n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k7k s GLN 51 N 4.91 0.30 -0.10 1.61 0.74 -1.11 -4.27 119.66 121.74 2k7k s GLN 51 Ca 0.00 0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.87 2k7k s GLN 51 Cb 0.00 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.22 2k7k s GLN 51 CO 0.00 -0.05 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.35 2k7k s LEU 52 N 0.75 1.81 -0.12 3.68 2.96 -0.55 -3.32 118.68 123.89 2k7k s LEU 52 Ca -0.03 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2k7k s LEU 52 Cb -0.04 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.54 2k7k s LEU 52 CO -0.12 0.06 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.18 2k7k s GLN 53 N 0.75 2.80 0.00 1.98 2.00 -0.95 -2.90 119.66 123.33 2k7k s GLN 53 Ca -0.11 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 2k7k s GLN 53 Cb -0.16 -2.23 0.00 0.00 0.80 0.00 0.00 33.01 31.42 2k7k s GLN 53 CO 0.02 0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 2k7k n GLY 54 N 3.94 -1.81 3.77 2.59 0.00 -1.14 -3.16 105.19 109.38 2k7k n GLY 54 Ca -0.20 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -1.97 3.79 0.59 1.61 0.04 -1.26 -1.44 135.00 136.36 2k7k s PRO 55 Ca 0.00 1.79 0.28 0.00 0.04 0.00 0.00 61.00 63.11 2k7k s PRO 55 Cb 0.00 -2.44 1.59 0.00 0.04 0.00 0.00 34.50 33.69 2k7k s PRO 55 CO 0.00 -0.53 2.04 0.97 0.04 0.00 0.00 177.00 179.52 2k7k h ILE 56 N 1.93 0.45 0.00 0.56 2.10 -1.70 0.32 117.51 121.18 2k7k h ILE 56 Ca -0.49 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.38 2k7k h ILE 56 Cb 1.25 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2k7k h ILE 56 CO 0.60 0.00 -0.31 0.28 -1.08 0.00 0.00 178.15 177.64 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.85 0.10 113.55 114.02 2k7k h SER 57 Ca 0.13 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.87 2k7k h SER 57 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2k7k h SER 57 CO -0.00 0.31 -2.14 0.29 -1.14 0.00 0.00 176.83 174.15 2k7k n LYS 58 N -3.66 0.81 0.10 3.45 4.76 0.80 -4.26 118.16 120.15 2k7k n LYS 58 Ca -0.01 -0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.18 2k7k n LYS 58 Cb 0.42 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.99 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k7k h VAL 59 N 0.00 1.41 0.00 -0.18 2.07 -0.55 -1.51 116.25 117.50 2k7k h VAL 59 Ca -0.31 -2.98 -0.03 0.00 0.82 0.00 0.00 66.70 64.20 2k7k h VAL 59 Cb 1.67 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 34.35 2k7k h VAL 59 CO 0.02 0.87 -0.16 -0.09 0.02 0.00 0.00 177.57 178.23 2k7k h ARG 60 N 0.08 0.00 0.04 1.57 9.65 -1.00 -1.65 114.38 123.06 2k7k h ARG 60 Ca -0.17 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.38 2k7k h ARG 60 Cb 2.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.54 2k7k h ARG 60 CO 0.20 0.16 -1.85 0.72 2.80 0.00 0.00 179.97 182.01 2k7k n HIS 61 N -3.82 0.79 -0.34 2.20 8.25 -1.23 -4.09 115.22 116.98 2k7k n HIS 61 Ca -0.02 0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.75 2k7k n HIS 61 Cb 0.26 -1.09 0.20 0.00 1.12 0.00 0.00 29.99 30.48 2k7k n HIS 61 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2k7k h MET 62 N -0.59 0.94 0.00 -0.41 2.86 -1.22 0.86 114.93 117.37 2k7k h MET 62 Ca -0.46 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 2k7k h MET 62 Cb 1.64 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.08 2k7k h MET 62 CO -0.15 0.62 -0.06 -0.56 1.06 0.00 0.00 176.91 177.81 2k7k h GLN 63 N 0.96 0.00 -0.87 1.72 3.07 -1.49 -0.96 115.11 117.54 2k7k h GLN 63 Ca 0.45 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.94 2k7k h GLN 63 Cb 0.38 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 27.79 2k7k h GLN 63 CO -0.24 0.06 0.32 0.39 0.09 0.00 0.00 178.83 179.45 2k7k n GLU 64 N -3.93 2.83 0.00 0.06 1.02 0.29 -3.84 120.64 117.06 2k7k n GLU 64 Ca -0.03 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2k7k n GLU 64 Cb 0.15 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2k7k n TRP 65 N -0.30 0.00 0.33 -0.32 -0.00 -0.38 -4.51 117.44 112.26 2k7k n TRP 65 Ca 0.38 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 58.01 2k7k n TRP 65 Cb 1.27 0.07 0.40 0.00 -0.00 0.00 0.00 31.31 33.05 2k7k n TRP 65 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k7k h LEU 66 N 0.00 0.00 0.00 5.87 -0.00 -1.69 -0.92 115.31 118.57 2k7k h LEU 66 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2k7k h LEU 66 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2k7k h LEU 66 CO 0.00 0.00 -1.23 -1.84 -0.00 0.00 0.00 178.44 175.37 2k7k n GLU 67 N -2.84 0.62 -0.00 1.13 0.28 -1.25 -4.01 120.64 114.56 2k7k n GLU 67 Ca 0.03 0.07 -0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2k7k n GLU 67 Cb 0.41 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.51 2k7k n GLU 67 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2k7k n THR 68 N -2.61 0.08 0.00 3.84 -2.24 -1.15 -4.81 114.28 107.39 2k7k n THR 68 Ca -0.02 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2k7k n THR 68 Cb 0.57 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2k7k n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k7k n ARG 69 N -2.58 0.00 0.00 -0.78 3.00 -0.36 -4.86 116.66 111.08 2k7k n ARG 69 Ca -0.01 0.49 0.00 0.00 -0.01 0.00 0.00 57.85 58.33 2k7k n ARG 69 Cb 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.19 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7k n GLY 70 N -0.88 2.88 3.64 -0.13 0.00 -1.24 -4.92 105.19 104.54 2k7k n GLY 70 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k7k s SER 71 N -4.00 -0.02 0.53 1.61 1.04 -1.26 -4.97 113.70 106.63 2k7k s SER 71 Ca 0.00 -0.00 0.33 0.00 0.48 0.00 0.00 55.95 56.76 2k7k s SER 71 Cb 0.00 0.03 1.38 0.00 0.10 0.00 0.00 66.02 67.53 2k7k s SER 71 CO 0.00 -0.04 1.97 1.55 0.98 0.00 0.00 173.24 177.70 2k7k h PRO 72 N 2.00 0.00 0.00 4.02 0.13 -2.01 -2.87 132.00 133.27 2k7k h PRO 72 Ca -0.04 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.91 2k7k h PRO 72 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2k7k h PRO 72 CO 0.19 0.00 -1.81 1.63 -0.23 0.00 0.00 178.00 177.78 2k7k n LYS 73 N -3.00 0.65 -3.08 0.86 4.76 -1.26 -4.51 118.16 112.58 2k7k n LYS 73 Ca 0.01 0.05 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2k7k n LYS 73 Cb 0.29 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k7k n SER 74 N -2.69 4.83 -4.63 4.39 2.88 -1.09 -4.52 113.62 112.79 2k7k n SER 74 Ca -0.14 -3.57 -0.45 0.00 -1.33 0.00 0.00 58.87 53.37 2k7k n SER 74 Cb 0.85 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 2k7k n SER 74 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k7k n HIS 75 N 0.34 1.73 -3.31 0.66 8.25 -1.21 -4.09 115.22 117.59 2k7k n HIS 75 Ca 0.32 0.59 -0.45 0.00 -0.26 0.00 0.00 57.72 57.92 2k7k n HIS 75 Cb 0.37 -2.35 -0.00 0.00 1.12 0.00 0.00 29.99 29.13 2k7k n HIS 75 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k7k s ILE 76 N -0.63 5.91 0.14 1.59 1.01 -1.26 -3.70 121.20 124.26 2k7k s ILE 76 Ca 0.63 -3.31 -0.12 0.00 0.00 0.00 0.00 60.65 57.86 2k7k s ILE 76 Cb -0.69 -4.62 -0.03 0.00 0.01 0.00 0.00 42.46 37.13 2k7k s ILE 76 CO 0.56 -1.21 1.50 -0.78 0.00 0.00 0.00 174.94 175.01 2k7k h ASP 77 N 6.77 0.94 -2.51 3.58 1.82 -1.21 -3.43 116.42 122.39 2k7k h ASP 77 Ca 0.18 -0.43 -0.32 0.00 -0.39 0.00 0.00 57.03 56.08 2k7k h ASP 77 Cb 0.88 -0.26 -0.36 0.00 0.68 0.00 0.00 39.33 40.27 2k7k h ASP 77 CO 1.02 1.17 -0.63 -0.54 -1.61 0.00 0.00 179.24 178.65 2k7k s LYS 78 N -4.54 0.20 -0.32 0.28 -0.14 -1.26 -4.92 119.74 109.04 2k7k s LYS 78 Ca -0.12 0.19 -0.08 0.00 -1.36 0.00 0.00 55.97 54.61 2k7k s LYS 78 Cb 0.11 -1.20 0.02 0.00 -1.68 0.00 0.00 37.83 35.08 2k7k s LYS 78 CO 0.86 -0.67 0.11 0.00 -0.76 0.00 0.00 175.35 174.89 2k7k s ALA 79 N 2.33 3.11 0.20 5.17 0.00 -1.26 -2.94 121.76 128.37 2k7k s ALA 79 Ca 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2k7k s ALA 79 Cb -0.16 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 2k7k s ALA 79 CO -0.13 -1.06 0.07 -0.80 0.00 0.00 0.00 175.76 173.84 2k7k s ASN 80 N 1.50 0.79 0.23 0.00 0.01 -1.08 -5.05 114.94 111.34 2k7k s ASN 80 Ca 0.02 -1.29 0.10 0.00 -0.71 0.00 0.00 52.86 50.98 2k7k s ASN 80 Cb -0.18 0.22 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 2k7k s ASN 80 CO 0.03 -0.71 -0.19 0.72 -1.51 0.00 0.00 177.10 175.45 2k7k s PHE 81 N -3.88 2.05 0.88 2.20 -0.12 -1.26 -2.75 117.98 115.10 2k7k s PHE 81 Ca 0.31 -0.42 -0.11 0.00 -0.05 0.00 0.00 56.93 56.66 2k7k s PHE 81 Cb 0.07 -0.94 0.17 0.00 -0.63 0.00 0.00 43.02 41.68 2k7k s PHE 81 CO 0.08 0.52 1.22 1.21 -0.05 0.00 0.00 175.22 178.20 2k7k s ASN 82 N -3.18 3.60 -0.90 1.98 3.04 -1.14 -4.92 114.94 113.41 2k7k s ASN 82 Ca 0.24 0.14 -0.25 0.00 0.04 0.00 0.00 52.86 53.04 2k7k s ASN 82 Cb -0.04 -0.33 -0.07 0.00 -1.54 0.00 0.00 41.25 39.27 2k7k s ASN 82 CO 0.11 -2.41 2.02 0.54 -3.04 0.00 0.00 177.10 174.32 2k7k s ASN 83 N -4.82 4.91 0.24 -4.21 2.20 -1.26 -4.71 114.94 107.30 2k7k s ASN 83 Ca 0.71 -0.61 -0.31 0.00 -0.94 0.00 0.00 52.86 51.71 2k7k s ASN 83 Cb -0.05 -2.56 -0.14 0.00 -2.00 0.00 0.00 41.25 36.50 2k7k s ASN 83 CO 0.50 -2.97 1.25 1.21 -2.94 0.00 0.00 177.10 174.15 2k7k n GLU 84 N 8.81 1.67 -3.91 3.55 2.13 -1.26 -4.85 120.64 126.77 2k7k n GLU 84 Ca 0.42 0.59 -0.14 0.00 0.66 0.00 0.00 57.16 58.68 2k7k n GLU 84 Cb 0.46 -2.14 -0.15 0.00 0.27 0.00 0.00 31.44 29.89 2k7k n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k7k s LYS 85 N -0.78 0.12 0.58 5.31 -2.85 -0.24 -4.96 119.74 116.93 2k7k s LYS 85 Ca 0.66 0.01 -0.15 0.00 -1.00 0.00 0.00 55.97 55.49 2k7k s LYS 85 Cb -0.71 -0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 34.82 2k7k s LYS 85 CO 0.54 -0.03 1.04 0.08 0.10 0.00 0.00 175.35 177.07 2k7k s VAL 86 N 0.35 4.04 0.26 1.79 1.01 -1.26 -0.47 120.40 126.13 2k7k s VAL 86 Ca -0.03 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 2k7k s VAL 86 Cb -0.05 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.87 2k7k s VAL 86 CO -0.01 -0.60 0.69 0.27 0.00 0.00 0.00 175.10 175.45 2k7k s ILE 87 N -2.57 0.00 0.00 2.22 -5.25 -1.18 -4.88 121.20 109.54 2k7k s ILE 87 Ca 0.62 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 59.40 2k7k s ILE 87 Cb -0.14 -1.87 0.00 0.00 2.95 0.00 0.00 42.46 43.40 2k7k s ILE 87 CO 0.37 -0.00 0.86 0.18 -1.79 0.00 0.00 174.94 174.57 2k7k n LEU 88 N -0.44 0.00 0.00 0.37 4.32 -1.26 -4.54 117.00 115.45 2k7k n LEU 88 Ca -0.06 0.86 -0.09 0.00 -0.02 0.00 0.00 56.01 56.71 2k7k n LEU 88 Cb 0.60 -0.36 -0.02 0.00 -1.62 0.00 0.00 43.42 42.01 2k7k n LEU 88 CO 0.15 -0.36 0.09 2.29 -1.22 0.00 0.00 177.39 178.34 2k7k n LYS 89 N -1.94 0.41 -0.48 3.23 2.85 -1.26 -4.71 118.16 116.26 2k7k n LYS 89 Ca 0.00 -1.69 -0.29 0.00 -1.05 0.00 0.00 58.31 55.28 2k7k n LYS 89 Cb 0.00 1.61 0.24 0.00 -0.65 0.00 0.00 35.03 36.23 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k7k n LEU 90 N 0.00 -1.75 -0.02 -5.58 4.77 -1.26 -4.98 117.00 108.18 2k7k n LEU 90 Ca 0.01 -0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 55.65 2k7k n LEU 90 Cb 0.35 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 2k7k n LEU 90 CO 0.17 -3.50 -0.67 -0.67 -1.33 0.00 0.00 177.39 171.39 2k7k n ASP 91 N -3.89 3.34 -4.49 -1.43 2.03 -1.26 -5.05 116.55 105.80 2k7k n ASP 91 Ca 0.04 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.11 2k7k n ASP 91 Cb 0.56 0.90 -0.10 0.00 -0.72 0.00 0.00 41.12 41.76 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k7k s TYR 92 N -2.28 2.20 -0.16 -0.67 2.02 -1.26 -5.06 117.35 112.14 2k7k s TYR 92 Ca -0.03 -0.59 0.15 0.00 -0.37 0.00 0.00 57.07 56.23 2k7k s TYR 92 Cb 0.03 -1.26 -0.24 0.00 -0.40 0.00 0.00 41.96 40.09 2k7k s TYR 92 CO 0.28 0.45 0.23 0.43 -1.57 0.00 0.00 175.55 175.37 2k7k n SER 93 N -0.70 0.37 -3.28 2.29 7.64 -1.26 -4.92 113.62 113.77 2k7k n SER 93 Ca -0.05 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 2k7k n SER 93 Cb 0.63 0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 64.38 2k7k n SER 93 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k7k n ASP 94 N -2.87 0.52 -3.96 6.43 8.00 -1.26 -4.92 116.55 118.49 2k7k n ASP 94 Ca -0.29 -2.85 -0.29 0.00 0.71 0.00 0.00 54.79 52.07 2k7k n ASP 94 Cb 1.12 1.08 -0.17 0.00 -0.02 0.00 0.00 41.12 43.13 2k7k n ASP 94 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2k7k s PHE 95 N -2.96 1.89 0.08 1.24 -0.71 -1.26 -3.45 117.98 112.80 2k7k s PHE 95 Ca 0.24 -1.07 0.04 0.00 -1.04 0.00 0.00 56.93 55.10 2k7k s PHE 95 Cb 0.01 -1.43 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 2k7k s PHE 95 CO 0.17 -0.61 0.04 -1.14 -1.34 0.00 0.00 175.22 172.33 2k7k s GLN 96 N 1.58 2.71 -0.84 1.99 0.74 -1.22 -4.93 119.66 119.70 2k7k s GLN 96 Ca 0.04 -0.76 -0.19 0.00 0.05 0.00 0.00 55.36 54.50 2k7k s GLN 96 Cb -0.13 -2.63 0.12 0.00 1.10 0.00 0.00 33.01 31.47 2k7k s GLN 96 CO -0.09 0.56 1.03 0.42 -0.55 0.00 0.00 175.29 176.65 2k7k s ILE 97 N -1.34 4.72 0.02 -2.34 1.01 -1.26 -3.19 121.20 118.82 2k7k s ILE 97 Ca 0.27 -1.35 -0.34 0.00 0.00 0.00 0.00 60.65 59.23 2k7k s ILE 97 Cb -0.12 -4.71 -0.13 0.00 0.01 0.00 0.00 42.46 37.51 2k7k s ILE 97 CO 0.20 -1.43 1.75 0.52 0.00 0.00 0.00 174.94 175.98 2k7k n VAL 98 N 5.48 0.34 0.27 2.92 0.31 -0.52 -4.94 118.33 122.18 2k7k n VAL 98 Ca 0.15 -0.06 0.02 0.00 -0.01 0.00 0.00 64.34 64.44 2k7k n VAL 98 Cb 0.48 -1.73 0.13 0.00 -0.91 0.00 0.00 33.84 31.80 2k7k n VAL 98 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80