#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 1.70 -0.23 4.61 0.00 -1.26 -4.89 121.76 121.69 2k7k s ALA 2 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 2k7k s ALA 2 Cb 0.00 -4.55 0.07 0.00 0.00 0.00 0.00 23.12 18.64 2k7k s ALA 2 CO 0.00 -4.76 0.03 -1.21 0.00 0.00 0.00 175.76 169.82 2k7k s GLU 3 N 6.95 0.87 0.43 0.00 0.41 -1.26 -5.07 118.70 121.03 2k7k s GLU 3 Ca 0.69 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 54.57 2k7k s GLU 3 Cb -0.07 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2k7k s GLU 3 CO -0.00 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 174.46 2k7k n GLY 4 N 4.93 -2.32 4.39 -1.39 0.00 -1.26 -4.77 105.19 104.77 2k7k n GLY 4 Ca -0.08 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 2k7k n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k7k n ASN 5 N -4.33 -0.36 -4.55 1.61 6.94 -1.26 -4.75 115.26 108.56 2k7k n ASN 5 Ca -0.02 -1.25 -0.38 0.00 -0.02 0.00 0.00 54.58 52.91 2k7k n ASN 5 Cb 0.67 -1.69 -0.03 0.00 -2.36 0.00 0.00 39.78 36.37 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2k7k s THR 6 N -3.88 3.20 0.34 5.53 2.01 -1.26 -4.94 115.64 116.63 2k7k s THR 6 Ca 0.36 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.21 2k7k s THR 6 Cb -0.21 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 2k7k s THR 6 CO 1.01 -0.51 1.13 -0.76 -0.69 0.00 0.00 174.62 174.79 2k7k s LEU 7 N 10.40 4.38 0.30 4.42 2.01 -1.26 -3.37 118.68 135.56 2k7k s LEU 7 Ca 0.81 2.29 0.04 0.00 0.01 0.00 0.00 54.13 57.27 2k7k s LEU 7 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 46.19 42.19 2k7k s LEU 7 CO 0.23 -0.37 0.19 0.27 1.01 0.00 0.00 176.35 177.68 2k7k s ILE 8 N -1.31 0.20 -0.06 -0.59 -4.36 -0.63 -1.50 121.20 112.95 2k7k s ILE 8 Ca 0.50 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.80 2k7k s ILE 8 Cb -0.31 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2k7k s ILE 8 CO 0.39 0.00 0.23 -0.94 0.24 0.00 0.00 174.94 174.86 2k7k s SER 9 N -3.36 -0.19 -0.08 4.36 1.04 -0.54 -2.58 113.70 112.37 2k7k s SER 9 Ca 0.37 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.79 2k7k s SER 9 Cb 0.04 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.67 2k7k s SER 9 CO 0.19 -0.19 0.80 0.54 0.98 0.00 0.00 173.24 175.56 2k7k s VAL 10 N -0.36 0.00 0.46 5.02 0.11 -0.80 -2.35 120.40 122.48 2k7k s VAL 10 Ca -0.05 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2k7k s VAL 10 Cb -0.03 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2k7k s VAL 10 CO 0.01 0.00 0.21 1.51 -3.33 0.00 0.00 175.10 173.50 2k7k s ASP 11 N -1.27 4.44 0.17 3.54 1.47 -0.07 -1.27 116.67 123.68 2k7k s ASP 11 Ca -0.07 -1.20 -0.02 0.00 1.18 0.00 0.00 52.55 52.45 2k7k s ASP 11 Cb -0.00 -0.12 -0.04 0.00 -0.34 0.00 0.00 42.92 42.42 2k7k s ASP 11 CO 0.05 -0.72 0.11 -0.72 0.68 0.00 0.00 175.17 174.57 2k7k s TYR 12 N -2.68 0.98 -0.19 2.11 1.13 0.24 -2.24 117.35 116.69 2k7k s TYR 12 Ca 0.34 -1.27 -0.27 0.00 -1.41 0.00 0.00 57.07 54.45 2k7k s TYR 12 Cb 0.02 -0.48 0.08 0.00 -1.10 0.00 0.00 41.96 40.47 2k7k s TYR 12 CO 0.19 -0.60 0.75 -2.00 -2.51 0.00 0.00 175.55 171.38 2k7k s GLU 13 N -4.10 0.88 -0.03 -3.49 2.12 -1.09 -1.72 118.70 111.27 2k7k s GLU 13 Ca 0.31 0.65 0.03 0.00 0.36 0.00 0.00 54.97 56.32 2k7k s GLU 13 Cb 0.07 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.88 2k7k s GLU 13 CO 0.07 -0.18 -0.13 0.42 -0.54 0.00 0.00 175.26 174.90 2k7k s ILE 14 N -0.29 1.07 -1.46 -3.70 -1.09 -1.25 -2.89 121.20 111.60 2k7k s ILE 14 Ca -0.04 -0.52 0.20 0.00 -2.23 0.00 0.00 60.65 58.06 2k7k s ILE 14 Cb -0.03 -0.93 0.71 0.00 -1.58 0.00 0.00 42.46 40.63 2k7k s ILE 14 CO 0.04 0.32 1.61 0.33 -1.23 0.00 0.00 174.94 176.00 2k7k n PHE 15 N 3.21 1.33 -0.01 3.97 7.35 -1.19 -3.51 117.46 128.62 2k7k n PHE 15 Ca -0.18 -0.57 0.00 0.00 -0.76 0.00 0.00 57.45 55.94 2k7k n PHE 15 Cb 0.54 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.21 2k7k n PHE 15 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k7k n GLY 16 N 1.35 1.03 1.44 7.13 0.00 -1.25 -4.66 105.19 110.23 2k7k n GLY 16 Ca 0.26 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 3.62 0.28 1.61 3.00 -1.21 -4.33 118.16 121.13 2k7k n LYS 17 Ca 0.00 -2.20 0.13 0.00 -0.00 0.00 0.00 58.31 56.24 2k7k n LYS 17 Cb 0.00 -1.99 0.81 0.00 0.00 0.00 0.00 35.03 33.86 2k7k n LYS 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2k7k h VAL 18 N 2.85 0.68 -3.61 3.15 -1.51 -1.73 -3.37 116.25 112.71 2k7k h VAL 18 Ca 0.00 -0.07 -0.51 0.00 -1.23 0.00 0.00 66.70 64.89 2k7k h VAL 18 Cb 1.47 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 2k7k h VAL 18 CO 0.32 0.02 0.02 0.00 -1.23 0.00 0.00 177.57 176.70 2k7k s GLN 19 N -4.72 3.95 0.00 5.19 -2.07 -1.26 -3.93 119.66 116.82 2k7k s GLN 19 Ca -0.05 0.55 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 2k7k s GLN 19 Cb 0.15 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 2k7k s GLN 19 CO 0.59 0.23 0.00 0.41 -1.32 0.00 0.00 175.29 175.20 2k7k n GLY 20 N -0.19 2.04 2.62 2.60 0.00 -1.26 -5.02 105.19 105.98 2k7k n GLY 20 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2k7k n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7k n VAL 21 N -2.00 0.00 -3.01 1.61 0.24 -1.25 -5.08 118.33 108.84 2k7k n VAL 21 Ca 0.00 -1.44 -0.24 0.00 -2.04 0.00 0.00 64.34 60.62 2k7k n VAL 21 Cb 0.00 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.02 2k7k n VAL 21 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2k7k n PHE 22 N -1.51 2.77 0.14 6.34 -1.74 -1.26 -4.82 117.46 117.38 2k7k n PHE 22 Ca 0.02 -3.91 0.12 0.00 -0.56 0.00 0.00 57.45 53.11 2k7k n PHE 22 Cb 0.42 -0.46 0.05 0.00 1.52 0.00 0.00 39.48 41.01 2k7k n PHE 22 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2k7k h PHE 23 N 2.98 0.00 -0.80 2.97 -0.00 -1.93 -3.33 116.94 116.83 2k7k h PHE 23 Ca 0.12 0.00 0.23 0.00 -0.00 0.00 0.00 57.97 58.32 2k7k h PHE 23 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.59 2k7k h PHE 23 CO 0.71 0.00 0.58 0.07 -0.00 0.00 0.00 178.31 179.67 2k7k h ARG 24 N 0.00 0.00 -0.44 6.09 0.11 -1.94 -0.99 114.38 117.20 2k7k h ARG 24 Ca 0.00 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.17 2k7k h ARG 24 Cb 1.00 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.00 2k7k h ARG 24 CO 0.00 0.00 -0.06 -0.22 0.10 0.00 0.00 179.97 179.79 2k7k h LYS 25 N 0.00 0.04 -0.03 0.08 3.64 -1.99 -0.53 116.57 117.79 2k7k h LYS 25 Ca 0.38 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2k7k h LYS 25 Cb 1.53 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 2k7k h LYS 25 CO -0.00 0.03 -0.59 1.25 -2.27 0.00 0.00 179.45 177.86 2k7k h HIS 26 N 0.05 0.11 -0.91 1.91 2.76 -1.47 -3.11 115.15 114.49 2k7k h HIS 26 Ca 0.22 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2k7k h HIS 26 Cb 0.33 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 2k7k h HIS 26 CO -0.34 0.66 0.59 1.15 -1.30 0.00 0.00 177.93 178.68 2k7k h THR 27 N 0.06 1.07 0.39 6.26 2.02 -0.88 -0.86 112.91 120.97 2k7k h THR 27 Ca -0.01 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2k7k h THR 27 Cb 1.06 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2k7k h THR 27 CO 0.08 0.19 -0.46 -0.61 0.37 0.00 0.00 175.52 175.09 2k7k h GLN 28 N 1.03 -0.85 0.00 6.66 -0.00 -1.29 0.27 115.11 120.93 2k7k h GLN 28 Ca 0.39 0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 59.07 2k7k h GLN 28 Cb 0.20 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 2k7k h GLN 28 CO -0.15 -0.56 -0.12 0.00 0.00 0.00 0.00 178.83 178.00 2k7k h ALA 29 N -0.60 1.36 -0.05 3.38 0.00 -1.63 -2.28 119.26 119.44 2k7k h ALA 29 Ca -0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2k7k h ALA 29 Cb 0.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k7k h ALA 29 CO -0.10 0.15 -0.78 1.49 0.00 0.00 0.00 179.25 180.01 2k7k h GLU 30 N 0.00 0.37 -0.90 0.00 4.57 -0.22 -2.24 114.58 116.15 2k7k h GLU 30 Ca -0.00 -0.33 0.20 0.00 -1.18 0.00 0.00 59.36 58.05 2k7k h GLU 30 Cb 0.31 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 2k7k h GLU 30 CO 0.02 0.98 0.59 0.78 -1.18 0.00 0.00 179.01 180.20 2k7k h GLY 31 N 1.36 0.93 0.50 1.92 0.00 0.11 0.27 103.07 108.16 2k7k h GLY 31 Ca -0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 2k7k h GLY 31 CO 0.13 -0.00 -1.80 1.17 0.00 0.00 0.00 176.54 176.04 2k7k n LYS 32 N -4.52 0.65 0.18 4.80 4.81 -1.21 -0.31 118.16 122.56 2k7k n LYS 32 Ca 0.19 0.07 0.06 0.00 -0.87 0.00 0.00 58.31 57.76 2k7k n LYS 32 Cb 0.68 -1.67 0.30 0.00 0.02 0.00 0.00 35.03 34.36 2k7k n LYS 32 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2k7k h LYS 33 N 0.00 0.00 0.00 1.64 3.64 -0.54 -3.38 116.57 117.92 2k7k h LYS 33 Ca -0.23 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 2k7k h LYS 33 Cb 1.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 2k7k h LYS 33 CO 0.03 0.38 -0.92 1.28 -2.27 0.00 0.00 179.45 177.96 2k7k n LEU 34 N -3.47 1.39 0.00 5.20 7.99 0.81 -5.06 117.00 123.86 2k7k n LEU 34 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2k7k n LEU 34 Cb 0.53 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 2k7k n LEU 34 CO 0.37 -0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 2k7k n GLY 35 N 2.33 0.67 1.70 -0.72 0.00 -0.76 -4.78 105.19 103.63 2k7k n GLY 35 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.06 0.00 0.99 7.99 0.58 -4.61 117.00 122.00 2k7k n LEU 36 Ca 0.00 0.11 -0.15 0.00 -0.01 0.00 0.00 56.01 55.96 2k7k n LEU 36 Cb 0.00 0.06 -0.06 0.00 -0.11 0.00 0.00 43.42 43.31 2k7k n LEU 36 CO 0.00 -0.58 -0.06 1.33 -1.51 0.00 0.00 177.39 176.57 2k7k n VAL 37 N -2.79 0.00 0.00 4.08 0.24 -1.23 -3.45 118.33 115.18 2k7k n VAL 37 Ca 0.00 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.39 2k7k n VAL 37 Cb 0.00 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 2k7k n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7k n GLY 38 N -0.51 2.37 3.39 7.63 0.00 -1.26 -3.93 105.19 112.88 2k7k n GLY 38 Ca 0.06 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 1.77 -0.03 1.61 -2.14 -1.24 -2.28 118.94 114.63 2k7k s TRP 39 Ca 0.00 -1.02 0.02 0.00 2.66 0.00 0.00 56.10 57.76 2k7k s TRP 39 Cb 0.00 -1.10 0.01 0.00 -3.10 0.00 0.00 33.47 29.28 2k7k s TRP 39 CO 0.00 -0.11 -0.07 0.08 -2.66 0.00 0.00 176.95 174.19 2k7k s VAL 40 N -3.46 0.66 0.37 -0.66 1.01 -1.26 -3.86 120.40 113.20 2k7k s VAL 40 Ca 0.36 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2k7k s VAL 40 Cb 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2k7k s VAL 40 CO 0.14 0.22 0.17 -1.10 0.00 0.00 0.00 175.10 174.53 2k7k s GLN 41 N 0.41 1.82 0.01 2.72 -0.21 -1.21 -2.39 119.66 120.81 2k7k s GLN 41 Ca -0.06 -2.08 0.02 0.00 0.02 0.00 0.00 55.36 53.26 2k7k s GLN 41 Cb -0.10 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.62 2k7k s GLN 41 CO 0.00 -0.51 -0.06 1.21 -2.12 0.00 0.00 175.29 173.81 2k7k s ASN 42 N -3.50 0.72 0.22 5.90 2.47 -1.26 -3.98 114.94 115.50 2k7k s ASN 42 Ca 0.30 -0.25 0.08 0.00 0.42 0.00 0.00 52.86 53.41 2k7k s ASN 42 Cb 0.03 -0.04 -0.04 0.00 -1.45 0.00 0.00 41.25 39.75 2k7k s ASN 42 CO 0.18 -0.02 0.08 0.42 -3.72 0.00 0.00 177.10 174.04 2k7k s THR 43 N -0.55 3.97 0.10 -5.21 -4.23 -0.99 -4.97 115.64 103.76 2k7k s THR 43 Ca -0.02 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 2k7k s THR 43 Cb -0.05 -3.08 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 2k7k s THR 43 CO 0.00 -0.26 1.33 -0.78 -0.54 0.00 0.00 174.62 174.38 2k7k h ASP 44 N 2.07 0.00 -0.65 3.99 3.58 -2.02 -3.30 116.42 120.09 2k7k h ASP 44 Ca -0.47 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.09 2k7k h ASP 44 Cb 1.23 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 2k7k h ASP 44 CO 0.60 0.90 0.25 0.03 -2.88 0.00 0.00 179.24 178.14 2k7k h ARG 45 N 0.00 0.42 0.00 0.28 3.08 -2.06 -3.45 114.38 112.65 2k7k h ARG 45 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2k7k h ARG 45 Cb 1.65 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2k7k h ARG 45 CO 0.12 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 2k7k n GLY 46 N -1.30 0.43 3.38 0.04 0.00 -1.24 -5.17 105.19 101.34 2k7k n GLY 46 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.71 0.00 -0.28 2.61 -4.23 -1.26 -4.76 115.64 107.01 2k7k s THR 47 Ca 0.00 -1.78 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2k7k s THR 47 Cb 0.00 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.38 2k7k s THR 47 CO 0.00 0.00 0.06 -0.69 -0.54 0.00 0.00 174.62 173.45 2k7k s VAL 48 N -3.38 1.09 -0.14 2.29 1.01 -1.23 -2.36 120.40 117.69 2k7k s VAL 48 Ca 0.35 -1.34 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2k7k s VAL 48 Cb 0.01 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2k7k s VAL 48 CO 0.21 -0.49 0.57 -1.10 0.00 0.00 0.00 175.10 174.29 2k7k s GLN 49 N 1.54 4.30 -0.03 2.72 -0.21 -1.26 -3.74 119.66 122.98 2k7k s GLN 49 Ca 0.05 0.57 0.01 0.00 0.02 0.00 0.00 55.36 56.02 2k7k s GLN 49 Cb -0.18 -3.49 0.02 0.00 1.00 0.00 0.00 33.01 30.36 2k7k s GLN 49 CO -0.17 -0.01 -0.03 0.20 -2.12 0.00 0.00 175.29 173.16 2k7k s GLY 50 N 0.89 0.34 0.03 3.09 0.00 -0.70 -3.30 107.32 107.67 2k7k s GLY 50 Ca 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 2k7k s GLY 50 CO 0.12 0.40 0.31 1.62 0.00 0.00 0.00 173.10 175.54 2k7k s GLN 51 N 0.79 3.63 0.00 2.90 0.74 -1.25 -0.59 119.66 125.87 2k7k s GLN 51 Ca -0.09 -0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.30 2k7k s GLN 51 Cb -0.12 -3.05 -0.00 0.00 1.10 0.00 0.00 33.01 30.93 2k7k s GLN 51 CO -0.00 0.62 0.00 -1.17 -0.55 0.00 0.00 175.29 174.19 2k7k s LEU 52 N -1.85 2.02 0.33 3.68 2.96 -0.39 -3.63 118.68 121.79 2k7k s LEU 52 Ca 0.30 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2k7k s LEU 52 Cb -0.13 0.07 -0.06 0.00 0.50 0.00 0.00 46.19 46.56 2k7k s LEU 52 CO 0.17 -0.09 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.00 2k7k s GLN 53 N -0.40 1.69 0.00 1.98 1.11 -1.25 -1.91 119.66 120.88 2k7k s GLN 53 Ca -0.04 -1.91 0.00 0.00 0.01 0.00 0.00 55.36 53.42 2k7k s GLN 53 Cb -0.03 -1.22 0.00 0.00 -1.01 0.00 0.00 33.01 30.76 2k7k s GLN 53 CO -0.00 -0.04 0.00 0.41 0.01 0.00 0.00 175.29 175.67 2k7k n GLY 54 N -0.72 2.28 3.74 3.09 0.00 -1.06 -4.13 105.19 108.40 2k7k n GLY 54 Ca -0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.59 1.77 0.65 1.61 0.04 -1.26 -1.60 135.00 134.62 2k7k s PRO 55 Ca 0.00 1.00 0.40 0.00 0.04 0.00 0.00 61.00 62.44 2k7k s PRO 55 Cb 0.00 -1.85 2.19 0.00 0.04 0.00 0.00 34.50 34.88 2k7k s PRO 55 CO 0.00 -1.94 2.28 0.97 0.04 0.00 0.00 177.00 178.36 2k7k h ILE 56 N -1.33 0.12 0.00 0.56 2.10 -1.92 0.31 117.51 117.34 2k7k h ILE 56 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2k7k h ILE 56 Cb 1.26 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 2k7k h ILE 56 CO 0.53 0.00 -0.21 -0.24 -1.08 0.00 0.00 178.15 177.15 2k7k n SER 57 N -3.23 0.80 -0.10 2.19 2.88 -1.26 -3.34 113.62 111.56 2k7k n SER 57 Ca -0.03 0.43 -0.15 0.00 -1.33 0.00 0.00 58.87 57.79 2k7k n SER 57 Cb 0.13 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2k7k n SER 57 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k7k n LYS 58 N -2.24 0.48 0.28 -1.46 4.76 0.76 -4.42 118.16 116.32 2k7k n LYS 58 Ca 0.05 0.13 0.19 0.00 -2.87 0.00 0.00 58.31 55.80 2k7k n LYS 58 Cb 0.44 -1.37 0.96 0.00 -1.84 0.00 0.00 35.03 33.22 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 -0.12 0.00 -0.53 -0.18 2.07 -0.75 -0.83 116.25 115.91 2k7k h VAL 59 Ca -0.45 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 2k7k h VAL 59 Cb 1.64 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 2k7k h VAL 59 CO -0.11 0.00 0.15 0.54 0.02 0.00 0.00 177.57 178.17 2k7k n ARG 60 N -2.87 3.37 0.01 1.57 5.12 -1.21 -3.84 116.66 118.81 2k7k n ARG 60 Ca -0.02 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.54 2k7k n ARG 60 Cb 0.11 -2.03 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 2k7k n ARG 60 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2k7k n HIS 61 N 0.11 -0.03 -0.23 -1.55 8.25 -0.32 -4.61 115.22 116.84 2k7k n HIS 61 Ca 0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.66 2k7k n HIS 61 Cb 1.10 0.03 0.03 0.00 1.12 0.00 0.00 29.99 32.27 2k7k n HIS 61 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2k7k h MET 62 N 0.00 1.11 -0.14 -0.41 1.85 -1.73 -2.63 114.93 112.97 2k7k h MET 62 Ca 0.00 -0.32 -0.01 0.00 -0.61 0.00 0.00 59.70 58.76 2k7k h MET 62 Cb 0.77 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.67 2k7k h MET 62 CO 0.00 1.04 0.06 -0.56 -0.40 0.00 0.00 176.91 177.05 2k7k h GLN 63 N 1.03 0.19 -1.07 0.39 3.07 -1.87 -1.47 115.11 115.38 2k7k h GLN 63 Ca 0.19 -0.02 -0.46 0.00 0.09 0.00 0.00 58.65 58.46 2k7k h GLN 63 Cb 0.50 -0.04 -0.24 0.00 0.08 0.00 0.00 27.48 27.78 2k7k h GLN 63 CO 0.02 0.16 0.58 -0.85 0.09 0.00 0.00 178.83 178.83 2k7k n GLU 64 N -4.48 2.11 0.00 0.06 0.28 -0.99 -4.04 120.64 113.58 2k7k n GLU 64 Ca -0.01 -2.47 0.00 0.00 -0.16 0.00 0.00 57.16 54.52 2k7k n GLU 64 Cb 0.10 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.01 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 2k7k n TRP 65 N -0.68 0.00 0.21 -1.84 -0.00 -0.57 -4.49 117.44 110.06 2k7k n TRP 65 Ca 0.49 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 58.08 2k7k n TRP 65 Cb 1.17 0.05 0.39 0.00 -0.00 0.00 0.00 31.31 32.91 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 3.38 -1.66 0.13 115.31 123.03 2k7k h LEU 66 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2k7k h LEU 66 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2k7k h LEU 66 CO 0.00 0.23 -2.03 -1.84 0.09 0.00 0.00 178.44 174.88 2k7k n GLU 67 N -3.32 0.66 -0.06 1.13 -0.00 -1.26 -3.89 120.64 113.91 2k7k n GLU 67 Ca 0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 57.16 57.18 2k7k n GLU 67 Cb 0.47 -1.62 -0.01 0.00 -0.00 0.00 0.00 31.44 30.28 2k7k n GLU 67 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2k7k h THR 68 N 0.00 0.00 0.33 3.84 1.35 -1.77 -3.42 112.91 113.24 2k7k h THR 68 Ca -0.34 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 2k7k h THR 68 Cb 1.87 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2k7k h THR 68 CO 0.03 0.00 -0.27 -0.09 -0.25 0.00 0.00 175.52 174.94 2k7k h ARG 69 N -0.87 -0.57 -3.58 4.72 1.12 -0.99 -3.49 114.38 110.72 2k7k h ARG 69 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2k7k h ARG 69 Cb 0.41 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 2k7k h ARG 69 CO 0.00 -0.38 -0.16 0.41 -3.11 0.00 0.00 179.97 176.73 2k7k n GLY 70 N -1.32 -1.37 3.39 2.80 0.00 -1.21 -4.99 105.19 102.49 2k7k n GLY 70 Ca -0.07 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2k7k n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k7k n SER 71 N -0.31 -2.23 -4.77 1.61 7.64 -1.26 -4.92 113.62 109.38 2k7k n SER 71 Ca 0.02 0.29 -0.36 0.00 1.01 0.00 0.00 58.87 59.84 2k7k n SER 71 Cb 0.09 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2k7k n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k7k s PRO 72 N -3.57 3.48 -2.11 1.43 0.04 -1.26 -3.00 135.00 130.00 2k7k s PRO 72 Ca 0.56 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2k7k s PRO 72 Cb -0.20 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2k7k s PRO 72 CO 0.68 -0.76 0.00 1.63 0.04 0.00 0.00 177.00 178.59 2k7k n LYS 73 N -1.06 -1.49 -3.18 4.56 5.02 -1.26 -4.88 118.16 115.87 2k7k n LYS 73 Ca 0.10 1.18 -0.23 0.00 -2.02 0.00 0.00 58.31 57.34 2k7k n LYS 73 Cb 0.50 -5.60 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k7k n SER 74 N -1.44 0.12 -4.39 4.39 3.41 -1.16 -4.19 113.62 110.36 2k7k n SER 74 Ca -0.21 -2.72 -0.33 0.00 -0.26 0.00 0.00 58.87 55.35 2k7k n SER 74 Cb 0.68 -0.58 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k7k n HIS 75 N 1.37 -1.63 -3.41 7.33 -0.00 -1.26 -4.48 115.22 113.13 2k7k n HIS 75 Ca 0.21 0.21 -0.28 0.00 0.46 0.00 0.00 57.72 58.33 2k7k n HIS 75 Cb 0.54 -1.75 -0.08 0.00 -0.12 0.00 0.00 29.99 28.58 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2k7k n ILE 76 N -3.60 2.48 -0.18 3.57 5.41 -1.26 -3.35 119.36 122.43 2k7k n ILE 76 Ca 0.06 -5.25 -0.06 0.00 1.00 0.00 0.00 62.75 58.50 2k7k n ILE 76 Cb 0.54 -2.10 0.03 0.00 -0.71 0.00 0.00 39.64 37.40 2k7k n ILE 76 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k7k h ASP 77 N 4.25 0.58 -2.29 4.38 3.58 -1.92 -3.44 116.42 121.57 2k7k h ASP 77 Ca 0.20 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.70 2k7k h ASP 77 Cb 0.66 -0.14 -0.20 0.00 1.72 0.00 0.00 39.33 41.37 2k7k h ASP 77 CO 0.86 0.41 -0.08 -0.54 -2.88 0.00 0.00 179.24 177.01 2k7k s LYS 78 N -6.15 0.61 -0.49 0.28 1.02 -1.26 -4.94 119.74 108.82 2k7k s LYS 78 Ca -0.13 1.38 -0.06 0.00 0.02 0.00 0.00 55.97 57.19 2k7k s LYS 78 Cb 0.13 0.65 0.13 0.00 -0.52 0.00 0.00 37.83 38.22 2k7k s LYS 78 CO 0.74 -0.18 0.32 0.00 -0.92 0.00 0.00 175.35 175.31 2k7k s ALA 79 N 2.52 3.36 -0.10 5.17 0.00 -1.26 -3.17 121.76 128.29 2k7k s ALA 79 Ca -0.07 -2.71 0.03 0.00 0.00 0.00 0.00 51.96 49.21 2k7k s ALA 79 Cb -0.10 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 2k7k s ALA 79 CO -0.19 -1.92 -0.20 -0.80 0.00 0.00 0.00 175.76 172.65 2k7k s ASN 80 N 1.92 3.46 0.65 0.00 -0.87 -1.14 -4.96 114.94 114.00 2k7k s ASN 80 Ca 0.09 -0.44 0.02 0.00 -1.57 0.00 0.00 52.86 50.96 2k7k s ASN 80 Cb -0.23 -1.29 0.10 0.00 -0.02 0.00 0.00 41.25 39.81 2k7k s ASN 80 CO -0.03 0.20 0.89 -0.36 -2.57 0.00 0.00 177.10 175.23 2k7k s PHE 81 N 0.13 1.81 0.15 2.20 0.08 -1.26 -2.67 117.98 118.42 2k7k s PHE 81 Ca -0.10 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.36 2k7k s PHE 81 Cb -0.16 -2.75 0.06 0.00 -0.57 0.00 0.00 43.02 39.60 2k7k s PHE 81 CO 0.06 -1.39 0.92 1.21 -0.10 0.00 0.00 175.22 175.92 2k7k s ASN 82 N -4.65 -0.22 -1.45 1.36 3.84 -0.95 -4.95 114.94 107.92 2k7k s ASN 82 Ca 0.63 -0.36 -0.08 0.00 0.21 0.00 0.00 52.86 53.26 2k7k s ASN 82 Cb -0.06 0.50 0.02 0.00 -0.55 0.00 0.00 41.25 41.16 2k7k s ASN 82 CO 0.42 -0.91 0.93 0.59 -2.79 0.00 0.00 177.10 175.34 2k7k n ASN 83 N -0.44 -5.95 -4.56 -4.21 4.13 -1.26 -0.89 115.26 102.08 2k7k n ASN 83 Ca -0.06 -0.48 -0.43 0.00 1.68 0.00 0.00 54.58 55.28 2k7k n ASN 83 Cb 0.61 -4.74 -0.04 0.00 -1.54 0.00 0.00 39.78 34.06 2k7k n ASN 83 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2k7k s GLU 84 N -6.15 3.49 0.16 3.52 2.12 -1.25 -3.85 118.70 116.75 2k7k s GLU 84 Ca 0.50 0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.67 2k7k s GLU 84 Cb -0.23 -3.94 0.06 0.00 0.26 0.00 0.00 34.13 30.28 2k7k s GLU 84 CO 0.62 -1.23 0.77 -1.59 -0.54 0.00 0.00 175.26 173.28 2k7k s LYS 85 N 3.70 1.33 0.17 4.30 -2.85 -0.99 -5.02 119.74 120.38 2k7k s LYS 85 Ca 0.35 -0.64 -0.19 0.00 -1.00 0.00 0.00 55.97 54.50 2k7k s LYS 85 Cb -0.11 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.11 2k7k s LYS 85 CO 0.25 -0.60 0.65 0.14 0.10 0.00 0.00 175.35 175.90 2k7k s VAL 86 N -3.58 4.66 0.27 1.79 -7.23 -1.26 -1.46 120.40 113.58 2k7k s VAL 86 Ca 0.07 1.19 0.03 0.00 -1.81 0.00 0.00 61.98 61.46 2k7k s VAL 86 Cb -0.03 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 2k7k s VAL 86 CO -0.03 0.31 0.20 0.27 -0.31 0.00 0.00 175.10 175.54 2k7k s ILE 87 N -1.39 0.05 0.00 -0.62 -5.25 -0.56 -4.93 121.20 108.49 2k7k s ILE 87 Ca 0.38 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.04 2k7k s ILE 87 Cb -0.17 -2.50 0.00 0.00 2.95 0.00 0.00 42.46 42.73 2k7k s ILE 87 CO 0.21 0.00 0.91 0.18 -1.79 0.00 0.00 174.94 174.44 2k7k n LEU 88 N -0.46 0.00 0.00 0.37 7.99 -1.26 -4.21 117.00 119.42 2k7k n LEU 88 Ca 0.04 0.91 -0.09 0.00 -0.01 0.00 0.00 56.01 56.86 2k7k n LEU 88 Cb 0.64 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 43.52 2k7k n LEU 88 CO 0.33 -0.41 0.07 0.29 -1.51 0.00 0.00 177.39 176.16 2k7k n LYS 89 N -1.80 0.39 -0.68 3.23 5.02 -1.26 -4.52 118.16 118.53 2k7k n LYS 89 Ca 0.00 -1.72 -0.32 0.00 -2.02 0.00 0.00 58.31 54.24 2k7k n LYS 89 Cb 0.00 1.61 0.17 0.00 -0.02 0.00 0.00 35.03 36.79 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k7k n LEU 90 N 0.00 -2.26 -0.03 -0.35 4.77 -1.26 -4.97 117.00 112.90 2k7k n LEU 90 Ca 0.01 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2k7k n LEU 90 Cb 0.35 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 2k7k n LEU 90 CO 0.18 -3.09 -0.70 -0.67 -1.33 0.00 0.00 177.39 171.77 2k7k n ASP 91 N -1.59 3.38 -4.79 -1.43 2.03 -1.26 -5.04 116.55 107.85 2k7k n ASP 91 Ca 0.01 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.10 2k7k n ASP 91 Cb 0.62 0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 41.70 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 -2.19 2.97 -0.11 -0.67 1.51 -1.26 -5.04 117.35 112.56 2k7k s TYR 92 Ca -0.03 -0.18 0.19 0.00 -1.01 0.00 0.00 57.07 56.03 2k7k s TYR 92 Cb 0.02 -1.45 -0.27 0.00 -0.11 0.00 0.00 41.96 40.15 2k7k s TYR 92 CO 0.27 0.47 0.25 0.45 -1.11 0.00 0.00 175.55 175.88 2k7k n SER 93 N -1.16 0.35 -3.55 2.29 2.88 -1.26 -4.94 113.62 108.23 2k7k n SER 93 Ca -0.06 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.32 2k7k n SER 93 Cb 0.59 1.44 -0.06 0.00 -0.75 0.00 0.00 64.21 65.43 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7k s ASP 94 N -4.84 -0.61 0.27 -3.46 -1.08 -1.26 -5.01 116.67 100.67 2k7k s ASP 94 Ca -0.08 0.78 -0.30 0.00 -0.52 0.00 0.00 52.55 52.43 2k7k s ASP 94 Cb 0.09 0.66 -0.14 0.00 -1.46 0.00 0.00 42.92 42.07 2k7k s ASP 94 CO 0.81 -0.49 1.19 2.22 0.52 0.00 0.00 175.17 179.42 2k7k n PHE 95 N 1.21 1.69 -3.66 -5.34 1.16 -1.26 -4.65 117.46 106.61 2k7k n PHE 95 Ca -0.16 0.61 -0.07 0.00 -1.87 0.00 0.00 57.45 55.95 2k7k n PHE 95 Cb 0.57 -2.34 -0.08 0.00 -1.61 0.00 0.00 39.48 36.01 2k7k n PHE 95 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2k7k s GLN 96 N -1.14 0.44 -0.11 3.97 -1.52 -0.97 -4.95 119.66 115.38 2k7k s GLN 96 Ca 0.63 1.08 -0.27 0.00 -1.95 0.00 0.00 55.36 54.84 2k7k s GLN 96 Cb -0.69 0.31 -0.02 0.00 -0.22 0.00 0.00 33.01 32.39 2k7k s GLN 96 CO 0.57 -0.20 0.89 0.42 -0.25 0.00 0.00 175.29 176.72 2k7k s ILE 97 N 2.20 4.87 -0.19 1.08 -1.09 -1.26 -4.07 121.20 122.74 2k7k s ILE 97 Ca -0.06 1.80 -0.15 0.00 -2.23 0.00 0.00 60.65 60.02 2k7k s ILE 97 Cb -0.10 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2k7k s ILE 97 CO -0.15 0.06 0.34 -0.69 -1.23 0.00 0.00 174.94 173.27 2k7k s VAL 98 N 1.79 5.25 -2.10 2.92 1.01 -1.01 -4.90 120.40 123.37 2k7k s VAL 98 Ca 0.43 0.59 0.31 0.00 0.00 0.00 0.00 61.98 63.32 2k7k s VAL 98 Cb -0.18 -3.67 0.84 0.00 0.00 0.00 0.00 36.38 33.37 2k7k s VAL 98 CO 0.17 0.31 2.14 1.17 0.00 0.00 0.00 175.10 178.88