#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 -1.03 -0.22 4.61 0.00 -1.26 -5.18 121.76 118.69 2k7k s ALA 2 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 2k7k s ALA 2 Cb 0.00 0.58 0.11 0.00 0.00 0.00 0.00 23.12 23.82 2k7k s ALA 2 CO 0.00 -0.59 0.96 -2.00 0.00 0.00 0.00 175.76 174.13 2k7k s GLU 3 N -3.32 0.61 0.00 0.00 2.12 -1.26 -5.11 118.70 111.75 2k7k s GLU 3 Ca -0.00 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2k7k s GLU 3 Cb 0.01 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2k7k s GLU 3 CO -0.09 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2k7k n GLY 4 N 1.59 -1.02 3.30 -1.50 0.00 -1.26 -4.77 105.19 101.53 2k7k n GLY 4 Ca -0.12 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 2k7k n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7k s ASN 5 N -4.00 6.80 -0.98 1.61 4.22 -1.26 -4.95 114.94 116.38 2k7k s ASN 5 Ca 0.00 -3.09 -0.03 0.00 -2.14 0.00 0.00 52.86 47.60 2k7k s ASN 5 Cb 0.00 -2.16 0.27 0.00 1.28 0.00 0.00 41.25 40.64 2k7k s ASN 5 CO 0.00 -0.43 1.13 0.41 -2.04 0.00 0.00 177.10 176.17 2k7k n THR 6 N 3.38 4.16 -1.57 0.54 -1.04 -1.26 -5.03 114.28 113.47 2k7k n THR 6 Ca 0.17 -5.52 -0.45 0.00 -2.04 0.00 0.00 64.05 56.21 2k7k n THR 6 Cb 0.43 -2.26 -0.04 0.00 -1.82 0.00 0.00 70.33 66.64 2k7k n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k7k n LEU 7 N 1.75 3.03 -4.64 -4.42 7.99 -1.26 -3.25 117.00 116.19 2k7k n LEU 7 Ca 0.25 0.34 -0.29 0.00 -0.01 0.00 0.00 56.01 56.30 2k7k n LEU 7 Cb 0.36 -1.47 -0.10 0.00 -0.11 0.00 0.00 43.42 42.11 2k7k n LEU 7 CO 0.54 -0.61 -0.27 0.27 -1.51 0.00 0.00 177.39 175.81 2k7k s ILE 8 N 7.60 1.50 -0.11 -0.08 -4.36 0.39 -0.59 121.20 125.56 2k7k s ILE 8 Ca 1.02 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.33 2k7k s ILE 8 Cb -0.50 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.61 2k7k s ILE 8 CO 0.40 0.00 0.27 -0.55 0.24 0.00 0.00 174.94 175.30 2k7k s SER 9 N -3.73 -0.29 0.01 4.36 0.15 -0.63 -1.21 113.70 112.36 2k7k s SER 9 Ca 0.24 0.55 -0.10 0.00 0.70 0.00 0.00 55.95 57.34 2k7k s SER 9 Cb 0.06 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2k7k s SER 9 CO 0.12 -0.12 0.20 0.54 1.20 0.00 0.00 173.24 175.18 2k7k s VAL 10 N 0.58 0.08 0.39 4.45 0.11 -1.17 -2.70 120.40 122.15 2k7k s VAL 10 Ca -0.04 -0.69 -0.05 0.00 -2.93 0.00 0.00 61.98 58.28 2k7k s VAL 10 Cb -0.05 -0.61 0.09 0.00 -1.53 0.00 0.00 36.38 34.28 2k7k s VAL 10 CO -0.03 -0.38 0.54 -0.90 -3.33 0.00 0.00 175.10 170.99 2k7k n ASP 11 N 1.20 0.24 -3.64 3.54 5.75 -1.26 -2.41 116.55 119.96 2k7k n ASP 11 Ca -0.21 -1.32 -0.09 0.00 -0.01 0.00 0.00 54.79 53.16 2k7k n ASP 11 Cb 0.56 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2k7k s TYR 12 N -1.91 -0.63 -0.11 2.11 5.04 -1.08 -4.44 117.35 116.32 2k7k s TYR 12 Ca 0.32 1.45 -0.11 0.00 -2.44 0.00 0.00 57.07 56.29 2k7k s TYR 12 Cb -0.01 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.70 2k7k s TYR 12 CO 0.22 -0.31 0.31 -2.00 -1.34 0.00 0.00 175.55 172.43 2k7k s GLU 13 N 0.62 0.39 0.05 4.97 2.12 -1.22 -0.50 118.70 125.12 2k7k s GLU 13 Ca -0.01 0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.76 2k7k s GLU 13 Cb -0.05 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 2k7k s GLU 13 CO -0.08 -0.05 -0.17 0.42 -0.54 0.00 0.00 175.26 174.84 2k7k s ILE 14 N 0.05 1.39 -0.03 -3.70 -1.09 -1.16 -3.58 121.20 113.08 2k7k s ILE 14 Ca -0.01 -1.14 0.03 0.00 -2.23 0.00 0.00 60.65 57.29 2k7k s ILE 14 Cb -0.02 -1.24 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 2k7k s ILE 14 CO 0.01 0.07 -0.10 0.12 -1.23 0.00 0.00 174.94 173.81 2k7k s PHE 15 N -0.88 2.82 0.00 3.97 2.19 -0.87 -3.64 117.98 121.57 2k7k s PHE 15 Ca 0.04 -0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.23 2k7k s PHE 15 Cb -0.09 -1.63 0.00 0.00 -1.31 0.00 0.00 43.02 39.99 2k7k s PHE 15 CO 0.02 0.30 0.00 0.41 1.83 0.00 0.00 175.22 177.78 2k7k n GLY 16 N 1.94 0.24 2.33 13.12 0.00 -1.26 -0.44 105.19 121.12 2k7k n GLY 16 Ca -0.17 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 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 2.26 -0.05 1.61 3.00 -1.20 -4.19 118.16 119.58 2k7k n LYS 17 Ca 0.00 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 56.11 2k7k n LYS 17 Cb 0.00 -2.01 -0.16 0.00 0.00 0.00 0.00 35.03 32.87 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 0.61 0.66 -2.52 3.15 0.24 -1.26 -3.55 118.33 115.66 2k7k n VAL 18 Ca 0.44 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 2k7k n VAL 18 Cb 0.56 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k s GLN 19 N -2.95 4.43 -0.96 7.34 1.03 -1.26 -3.85 119.66 123.43 2k7k s GLN 19 Ca -0.09 1.62 -0.05 0.00 0.04 0.00 0.00 55.36 56.89 2k7k s GLN 19 Cb 0.09 -3.46 -0.06 0.00 0.03 0.00 0.00 33.01 29.62 2k7k s GLN 19 CO 0.82 -0.28 0.84 0.41 -2.54 0.00 0.00 175.29 174.54 2k7k n GLY 20 N 3.19 -0.88 2.00 2.60 0.00 -1.26 -5.00 105.19 105.84 2k7k n GLY 20 Ca 0.09 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.15 0.00 -1.50 1.61 0.24 -1.25 -5.05 118.33 109.23 2k7k n VAL 21 Ca -0.09 -1.20 -0.29 0.00 -2.04 0.00 0.00 64.34 60.72 2k7k n VAL 21 Cb 0.61 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 2k7k n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2k7k n PHE 22 N -0.36 1.64 0.00 6.34 3.72 -1.26 -3.98 117.46 123.55 2k7k n PHE 22 Ca 0.02 -2.22 0.00 0.00 -0.05 0.00 0.00 57.45 55.19 2k7k n PHE 22 Cb 0.36 -1.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 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 1.75 0.00 0.14 1.38 7.35 -1.26 -4.50 117.46 122.32 2k7k n PHE 23 Ca 0.55 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.42 2k7k n PHE 23 Cb 0.51 0.00 0.76 0.00 0.35 0.00 0.00 39.48 41.10 2k7k n PHE 23 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2k7k h ARG 24 N 0.00 0.00 0.01 -4.13 2.43 -1.88 0.80 114.38 111.61 2k7k h ARG 24 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2k7k h ARG 24 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2k7k h ARG 24 CO 0.00 0.00 -0.35 -0.22 -1.51 0.00 0.00 179.97 177.89 2k7k h LYS 25 N 0.00 0.02 0.00 0.20 3.64 -1.85 -3.21 116.57 115.36 2k7k h LYS 25 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2k7k h LYS 25 Cb 0.68 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2k7k h LYS 25 CO -0.00 1.02 -0.04 0.45 -2.27 0.00 0.00 179.45 178.60 2k7k h HIS 26 N -0.95 0.00 0.00 1.91 3.86 -1.63 -0.81 115.15 117.53 2k7k h HIS 26 Ca -0.09 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 2k7k h HIS 26 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 2k7k h HIS 26 CO 0.23 0.04 -0.38 1.15 0.86 0.00 0.00 177.93 179.84 2k7k h THR 27 N 0.00 0.79 0.32 2.45 2.02 -0.97 -3.02 112.91 114.51 2k7k h THR 27 Ca -0.00 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 2k7k h THR 27 Cb 0.09 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2k7k h THR 27 CO 0.01 0.37 -0.16 -0.61 0.37 0.00 0.00 175.52 175.50 2k7k h GLN 28 N 0.00 -0.42 0.11 6.66 4.15 -1.15 0.26 115.11 124.72 2k7k h GLN 28 Ca -0.00 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2k7k h GLN 28 Cb 1.01 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.74 2k7k h GLN 28 CO 0.05 -0.16 -0.48 0.00 -1.93 0.00 0.00 178.83 176.31 2k7k h ALA 29 N -0.85 -0.87 0.00 3.38 0.00 -1.61 -0.99 119.26 118.32 2k7k h ALA 29 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k7k h ALA 29 Cb 0.45 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k7k h ALA 29 CO 0.07 -1.06 -0.16 0.93 0.00 0.00 0.00 179.25 179.04 2k7k h GLU 30 N -0.70 0.00 0.00 0.00 4.39 -1.67 -2.07 114.58 114.53 2k7k h GLU 30 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k7k h GLU 30 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2k7k h GLU 30 CO -0.28 0.16 0.02 0.78 -1.16 0.00 0.00 179.01 178.53 2k7k h GLY 31 N 0.77 0.00 0.00 -3.84 0.00 0.46 0.25 103.07 100.71 2k7k h GLY 31 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2k7k h GLY 31 CO 0.02 0.00 -1.50 1.17 0.00 0.00 0.00 176.54 176.23 2k7k n LYS 32 N -2.96 1.65 0.14 4.80 4.81 -0.84 -3.76 118.16 122.01 2k7k n LYS 32 Ca -0.03 -0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2k7k n LYS 32 Cb 0.08 -1.21 0.03 0.00 0.02 0.00 0.00 35.03 33.95 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 -0.86 -3.38 116.57 117.61 2k7k h LYS 33 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2k7k h LYS 33 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2k7k h LYS 33 CO 0.01 0.45 -0.06 1.25 -2.27 0.00 0.00 179.45 178.83 2k7k h LEU 34 N 0.00 0.00 0.00 5.20 7.12 -0.76 -3.48 115.31 123.38 2k7k h LEU 34 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2k7k h LEU 34 Cb 1.37 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 2k7k h LEU 34 CO 0.06 0.35 0.00 0.61 -0.13 0.00 0.00 178.44 179.33 2k7k n GLY 35 N 1.82 0.22 1.19 3.75 0.00 -1.26 -4.99 105.19 105.92 2k7k n GLY 35 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 0.99 7.99 -1.26 -4.93 117.00 119.80 2k7k n LEU 36 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 2k7k n LEU 36 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 2k7k n LEU 36 CO 0.00 -0.34 0.06 1.33 -1.51 0.00 0.00 177.39 176.93 2k7k n VAL 37 N -2.01 0.00 -0.89 4.08 0.24 -1.25 -4.24 118.33 114.26 2k7k n VAL 37 Ca 0.00 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 2k7k n VAL 37 Cb 0.00 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.38 -0.61 3.61 7.63 0.00 -1.26 -3.22 105.19 110.96 2k7k n GLY 38 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.75 -0.21 -0.10 1.61 -2.14 -1.08 -2.15 118.94 111.12 2k7k s TRP 39 Ca 0.00 0.39 0.03 0.00 2.66 0.00 0.00 56.10 59.18 2k7k s TRP 39 Cb 0.00 0.47 -0.01 0.00 -3.10 0.00 0.00 33.47 30.83 2k7k s TRP 39 CO 0.00 -0.18 -0.21 0.08 -2.66 0.00 0.00 176.95 173.98 2k7k s VAL 40 N -0.90 2.39 -0.11 -0.66 1.01 -1.26 -1.78 120.40 119.09 2k7k s VAL 40 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2k7k s VAL 40 Cb -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2k7k s VAL 40 CO -0.04 0.55 -0.18 -1.58 0.00 0.00 0.00 175.10 173.85 2k7k s GLN 41 N 0.22 3.18 -0.29 2.72 -0.44 0.73 -0.62 119.66 125.17 2k7k s GLN 41 Ca -0.13 -0.77 -0.09 0.00 -2.50 0.00 0.00 55.36 51.87 2k7k s GLN 41 Cb -0.16 -2.48 -0.02 0.00 -1.64 0.00 0.00 33.01 28.71 2k7k s GLN 41 CO 0.07 0.23 0.14 1.21 0.50 0.00 0.00 175.29 177.44 2k7k s ASN 42 N 0.27 5.56 0.64 6.67 3.04 -1.26 -1.61 114.94 128.25 2k7k s ASN 42 Ca -0.12 -0.29 -0.11 0.00 0.04 0.00 0.00 52.86 52.38 2k7k s ASN 42 Cb -0.16 -2.01 -0.02 0.00 -1.54 0.00 0.00 41.25 37.51 2k7k s ASN 42 CO 0.07 -0.11 1.04 0.42 -3.04 0.00 0.00 177.10 175.47 2k7k s THR 43 N 1.66 4.35 -0.37 -5.21 -4.23 -1.15 -4.97 115.64 105.71 2k7k s THR 43 Ca 0.06 0.72 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 2k7k s THR 43 Cb -0.16 -3.75 0.66 0.00 1.34 0.00 0.00 72.50 70.58 2k7k s THR 43 CO 0.07 -0.98 1.76 0.47 -0.54 0.00 0.00 174.62 175.41 2k7k n ASP 44 N -2.80 4.26 0.00 3.99 8.00 -1.26 -4.49 116.55 124.25 2k7k n ASP 44 Ca 0.06 -3.24 -0.01 0.00 0.71 0.00 0.00 54.79 52.31 2k7k n ASP 44 Cb 0.55 -0.76 -0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2k7k n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2k7k n ARG 45 N -0.44 0.03 0.00 -1.24 0.63 -1.26 -5.06 116.66 109.32 2k7k n ARG 45 Ca 0.44 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2k7k n ARG 45 Cb 1.41 -0.27 0.00 0.00 0.45 0.00 0.00 32.46 34.05 2k7k n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k7k n GLY 46 N 2.96 0.00 3.47 5.14 0.00 -1.26 -5.15 105.19 110.34 2k7k n GLY 46 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.01 -0.25 2.61 -4.23 -1.26 -4.58 115.64 107.94 2k7k s THR 47 Ca 0.00 -0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 2k7k s THR 47 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2k7k s THR 47 CO 0.00 -0.04 0.01 -0.69 -0.54 0.00 0.00 174.62 173.35 2k7k s VAL 48 N -1.48 3.57 -0.17 2.29 1.01 -1.24 -2.96 120.40 121.42 2k7k s VAL 48 Ca -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2k7k s VAL 48 Cb -0.01 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2k7k s VAL 48 CO 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.38 2k7k s GLN 49 N 1.47 3.57 0.00 2.72 -2.07 -0.63 -2.99 119.66 121.72 2k7k s GLN 49 Ca 0.04 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2k7k s GLN 49 Cb -0.16 -2.93 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 2k7k s GLN 49 CO -0.01 0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.48 2k7k n GLY 50 N 3.92 5.45 3.63 2.60 0.00 0.35 -0.19 105.19 120.95 2k7k n GLY 50 Ca -0.18 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.39 0.77 -0.08 1.61 2.00 -0.73 -2.64 119.66 120.20 2k7k s GLN 51 Ca 0.00 1.05 0.01 0.00 -2.00 0.00 0.00 55.36 54.42 2k7k s GLN 51 Cb 0.00 0.30 0.02 0.00 0.80 0.00 0.00 33.01 34.13 2k7k s GLN 51 CO 0.00 -0.12 -0.08 -1.17 -0.50 0.00 0.00 175.29 173.42 2k7k s LEU 52 N 0.84 1.34 0.13 3.68 2.96 -1.01 -2.64 118.68 123.98 2k7k s LEU 52 Ca -0.04 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 2k7k s LEU 52 Cb -0.05 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 2k7k s LEU 52 CO -0.07 -0.06 0.10 -1.10 -1.32 0.00 0.00 176.35 173.90 2k7k s GLN 53 N 1.20 2.85 0.00 1.98 -0.21 -1.20 -3.02 119.66 121.26 2k7k s GLN 53 Ca -0.05 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.52 2k7k s GLN 53 Cb -0.14 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2k7k s GLN 53 CO -0.02 0.52 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 2k7k n GLY 54 N 0.03 0.43 3.76 3.09 0.00 -0.35 -4.05 105.19 108.11 2k7k n GLY 54 Ca -0.09 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.50 2.17 0.56 1.61 0.04 -1.26 -0.46 135.00 136.16 2k7k s PRO 55 Ca 0.00 1.14 0.26 0.00 0.04 0.00 0.00 61.00 62.44 2k7k s PRO 55 Cb 0.00 -1.89 1.54 0.00 0.04 0.00 0.00 34.50 34.19 2k7k s PRO 55 CO 0.00 -1.70 2.09 0.97 0.04 0.00 0.00 177.00 178.40 2k7k h ILE 56 N -1.17 0.62 0.00 0.56 2.10 -1.91 0.33 117.51 118.05 2k7k h ILE 56 Ca -0.44 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.45 2k7k h ILE 56 Cb 1.24 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 2k7k h ILE 56 CO 0.52 0.00 -0.26 0.77 -1.08 0.00 0.00 178.15 178.09 2k7k h SER 57 N 0.00 0.00 0.04 2.19 4.64 -1.91 -1.81 113.55 116.70 2k7k h SER 57 Ca 0.11 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.24 2k7k h SER 57 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 2k7k h SER 57 CO -0.00 0.26 -2.16 0.29 -0.87 0.00 0.00 176.83 174.34 2k7k n LYS 58 N -3.36 0.67 0.16 4.77 4.76 0.59 -4.27 118.16 121.48 2k7k n LYS 58 Ca 0.01 -0.08 0.05 0.00 -2.87 0.00 0.00 58.31 55.41 2k7k n LYS 58 Cb 0.48 -1.53 0.07 0.00 -1.84 0.00 0.00 35.03 32.20 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 0.59 -0.62 -0.18 2.07 -0.48 -3.20 116.25 114.43 2k7k h VAL 59 Ca -0.28 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.20 2k7k h VAL 59 Cb 1.65 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 33.58 2k7k h VAL 59 CO 0.02 0.33 0.26 0.54 0.02 0.00 0.00 177.57 178.74 2k7k n ARG 60 N -3.18 3.02 0.00 1.57 5.12 -0.69 -3.74 116.66 118.76 2k7k n ARG 60 Ca 0.02 -2.41 0.00 0.00 -1.93 0.00 0.00 57.85 53.53 2k7k n ARG 60 Cb 0.67 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2k7k n ARG 60 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2k7k n HIS 61 N -0.15 0.00 0.07 -1.55 -0.00 -1.21 -4.61 115.22 107.77 2k7k n HIS 61 Ca 0.34 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.31 2k7k n HIS 61 Cb 1.21 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.96 2k7k n HIS 61 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2k7k h MET 62 N 0.00 0.63 0.00 1.57 1.85 -1.71 -3.22 114.93 114.05 2k7k h MET 62 Ca 0.00 -0.79 -0.05 0.00 -0.61 0.00 0.00 59.70 58.25 2k7k h MET 62 Cb 0.75 0.25 -0.01 0.00 0.43 0.00 0.00 31.60 33.03 2k7k h MET 62 CO 0.00 1.35 -0.22 -0.56 -0.40 0.00 0.00 176.91 177.08 2k7k h GLN 63 N 0.28 0.00 -0.84 0.39 3.07 -1.87 -2.04 115.11 114.08 2k7k h GLN 63 Ca -0.17 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.33 2k7k h GLN 63 Cb 1.82 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 29.23 2k7k h GLN 63 CO 0.22 0.22 0.31 -0.85 0.09 0.00 0.00 178.83 178.82 2k7k n GLU 64 N -3.93 3.07 0.00 0.06 0.28 -1.22 -3.97 120.64 114.93 2k7k n GLU 64 Ca -0.02 -2.60 0.00 0.00 -0.16 0.00 0.00 57.16 54.38 2k7k n GLU 64 Cb 0.31 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.11 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 -0.26 0.00 1.08 -1.84 -0.00 -0.79 -4.72 117.44 110.91 2k7k n TRP 65 Ca 0.39 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 58.02 2k7k n TRP 65 Cb 1.30 0.00 0.55 0.00 -0.00 0.00 0.00 31.31 33.16 2k7k n TRP 65 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2k7k n LEU 66 N -2.06 0.15 -1.01 5.87 4.32 -1.11 -0.11 117.00 123.04 2k7k n LEU 66 Ca 0.00 0.33 0.12 0.00 -0.02 0.00 0.00 56.01 56.44 2k7k n LEU 66 Cb 0.35 -0.40 0.25 0.00 -1.62 0.00 0.00 43.42 42.00 2k7k n LEU 66 CO 0.00 0.03 0.72 -1.84 -1.22 0.00 0.00 177.39 175.08 2k7k n GLU 67 N -1.43 2.32 0.00 3.23 0.28 -1.25 -4.55 120.64 119.24 2k7k n GLU 67 Ca 0.08 -1.99 0.00 0.00 -0.16 0.00 0.00 57.16 55.09 2k7k n GLU 67 Cb 0.32 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.71 2k7k n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2k7k n THR 68 N 1.22 0.00 -2.50 3.84 5.66 -1.18 -5.04 114.28 116.28 2k7k n THR 68 Ca 0.18 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.76 2k7k n THR 68 Cb 0.54 -0.17 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 2k7k n THR 68 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2k7k s ARG 69 N -1.37 3.45 0.34 1.09 3.00 0.84 -4.99 118.95 121.30 2k7k s ARG 69 Ca 0.00 0.37 -0.28 0.00 -1.00 0.00 0.00 55.73 54.82 2k7k s ARG 69 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 34.95 30.80 2k7k s ARG 69 CO 0.00 -1.76 1.24 0.20 0.00 0.00 0.00 175.30 174.98 2k7k s GLY 70 N 3.53 2.99 0.28 8.12 0.00 -1.26 -4.66 107.32 116.31 2k7k s GLY 70 Ca 0.47 1.13 0.10 0.00 0.00 0.00 0.00 44.72 46.43 2k7k s GLY 70 CO 0.26 1.74 -0.03 -0.56 0.00 0.00 0.00 173.10 174.51 2k7k s SER 71 N -0.70 4.35 0.01 1.64 0.01 -1.26 -5.09 113.70 112.65 2k7k s SER 71 Ca 0.50 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2k7k s SER 71 Cb -0.36 -0.72 -0.06 0.00 0.21 0.00 0.00 66.02 65.09 2k7k s SER 71 CO 0.48 -0.02 1.44 -2.16 0.41 0.00 0.00 173.24 173.39 2k7k s PRO 72 N -3.65 4.27 -1.56 12.44 0.04 -1.26 -2.84 135.00 142.43 2k7k s PRO 72 Ca 0.32 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 2k7k s PRO 72 Cb -0.06 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2k7k s PRO 72 CO 0.19 -0.61 0.32 1.63 0.04 0.00 0.00 177.00 178.57 2k7k n LYS 73 N 5.46 -3.35 -3.17 4.56 4.01 -1.26 -4.54 118.16 119.87 2k7k n LYS 73 Ca 0.14 0.87 -0.20 0.00 -0.51 0.00 0.00 58.31 58.61 2k7k n LYS 73 Cb 0.43 -5.63 -0.04 0.00 -0.51 0.00 0.00 35.03 29.29 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2k7k n SER 74 N -2.25 1.19 -4.67 4.39 2.88 -1.13 -4.49 113.62 109.55 2k7k n SER 74 Ca -0.16 -3.04 -0.50 0.00 -1.33 0.00 0.00 58.87 53.84 2k7k n SER 74 Cb 0.64 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.42 2.15 -3.15 0.66 8.25 -1.23 -4.37 115.22 117.95 2k7k n HIS 75 Ca 0.25 0.26 -0.46 0.00 -0.26 0.00 0.00 57.72 57.52 2k7k n HIS 75 Cb 0.60 -2.55 -0.02 0.00 1.12 0.00 0.00 29.99 29.15 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 2.71 5.24 0.04 1.59 1.01 -1.26 -3.22 121.20 127.30 2k7k s ILE 76 Ca 0.89 -2.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 2k7k s ILE 76 Cb -0.81 -4.61 -0.28 0.00 0.01 0.00 0.00 42.46 36.78 2k7k s ILE 76 CO 0.51 -1.25 1.00 -0.78 0.00 0.00 0.00 174.94 174.42 2k7k h ASP 77 N 8.20 0.38 -2.80 3.58 1.82 -1.10 -3.46 116.42 123.03 2k7k h ASP 77 Ca 0.13 -0.46 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2k7k h ASP 77 Cb 1.03 -0.12 -0.23 0.00 0.68 0.00 0.00 39.33 40.68 2k7k h ASP 77 CO 0.91 1.37 -0.16 -0.75 -1.61 0.00 0.00 179.24 179.01 2k7k s LYS 78 N -2.64 0.54 -0.15 0.28 2.47 -1.19 -4.94 119.74 114.11 2k7k s LYS 78 Ca -0.06 1.12 -0.00 0.00 -1.56 0.00 0.00 55.97 55.47 2k7k s LYS 78 Cb 0.07 0.26 0.03 0.00 -1.46 0.00 0.00 37.83 36.73 2k7k s LYS 78 CO 0.86 -0.18 -0.09 0.00 0.16 0.00 0.00 175.35 176.10 2k7k s ALA 79 N 1.96 1.61 0.30 3.13 0.00 -1.26 -2.06 121.76 125.44 2k7k s ALA 79 Ca -0.08 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 2k7k s ALA 79 Cb -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2k7k s ALA 79 CO -0.17 -0.54 0.54 1.21 0.00 0.00 0.00 175.76 176.80 2k7k s ASN 80 N 1.58 0.25 0.34 0.00 2.47 -1.23 -5.02 114.94 113.33 2k7k s ASN 80 Ca 0.03 -1.14 0.07 0.00 0.42 0.00 0.00 52.86 52.24 2k7k s ASN 80 Cb -0.14 0.67 -0.03 0.00 -1.45 0.00 0.00 41.25 40.30 2k7k s ASN 80 CO -0.09 -1.30 0.25 0.72 -3.72 0.00 0.00 177.10 172.96 2k7k s PHE 81 N -3.39 1.75 0.57 0.43 -0.12 -1.26 -3.42 117.98 112.53 2k7k s PHE 81 Ca 0.23 -1.60 0.08 0.00 -0.05 0.00 0.00 56.93 55.60 2k7k s PHE 81 Cb -0.02 -0.80 0.07 0.00 -0.63 0.00 0.00 43.02 41.65 2k7k s PHE 81 CO 0.13 -0.76 0.68 1.21 -0.05 0.00 0.00 175.22 176.43 2k7k s ASN 82 N -3.42 4.97 -0.86 1.98 3.84 -1.26 -4.99 114.94 115.19 2k7k s ASN 82 Ca 0.37 -0.96 -0.25 0.00 0.21 0.00 0.00 52.86 52.23 2k7k s ASN 82 Cb 0.02 0.34 -0.08 0.00 -0.55 0.00 0.00 41.25 40.98 2k7k s ASN 82 CO 0.25 -1.27 2.11 0.20 -2.79 0.00 0.00 177.10 175.59 2k7k s ASN 83 N -4.56 4.70 1.06 -4.21 -0.87 -1.26 -4.80 114.94 105.00 2k7k s ASN 83 Ca 0.54 -0.41 -0.16 0.00 -1.57 0.00 0.00 52.86 51.26 2k7k s ASN 83 Cb -0.05 -2.56 0.09 0.00 -0.02 0.00 0.00 41.25 38.72 2k7k s ASN 83 CO 0.34 -3.14 0.22 -1.84 -2.57 0.00 0.00 177.10 170.10 2k7k n GLU 84 N 8.85 -1.16 -4.04 -0.60 0.28 -1.26 -5.02 120.64 117.68 2k7k n GLU 84 Ca 0.42 -0.31 -0.10 0.00 -0.16 0.00 0.00 57.16 57.01 2k7k n GLU 84 Cb 0.46 -1.79 -0.06 0.00 1.43 0.00 0.00 31.44 31.47 2k7k n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k7k s LYS 85 N -3.58 1.45 0.02 3.44 -2.85 -1.10 -5.01 119.74 112.11 2k7k s LYS 85 Ca 0.57 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 2k7k s LYS 85 Cb -0.16 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2k7k s LYS 85 CO 0.66 -0.58 0.09 0.14 0.10 0.00 0.00 175.35 175.77 2k7k s VAL 86 N -4.05 4.77 0.26 1.79 -7.23 -1.26 -1.60 120.40 113.08 2k7k s VAL 86 Ca 0.26 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2k7k s VAL 86 Cb 0.01 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 2k7k s VAL 86 CO 0.09 0.28 0.16 2.30 -0.31 0.00 0.00 175.10 177.63 2k7k n ILE 87 N 0.94 0.00 -0.04 -0.62 -0.00 0.24 -4.96 119.36 114.93 2k7k n ILE 87 Ca -0.11 -1.71 -0.14 0.00 -0.00 0.00 0.00 62.75 60.78 2k7k n ILE 87 Cb 0.52 0.77 -0.12 0.00 -0.00 0.00 0.00 39.64 40.81 2k7k n ILE 87 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k7k h LEU 88 N 0.00 0.12 0.00 7.28 3.38 -2.00 -3.41 115.31 120.68 2k7k h LEU 88 Ca -0.19 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.02 2k7k h LEU 88 Cb 0.85 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k7k h LEU 88 CO 0.29 0.89 0.30 2.29 0.09 0.00 0.00 178.44 182.30 2k7k n LYS 89 N -4.60 0.82 -0.60 1.13 2.85 -1.26 -4.83 118.16 111.67 2k7k n LYS 89 Ca -0.10 -1.65 -0.31 0.00 -1.05 0.00 0.00 58.31 55.21 2k7k n LYS 89 Cb 0.45 2.10 0.20 0.00 -0.65 0.00 0.00 35.03 37.13 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 -1.31 -0.01 -5.58 4.77 -1.26 -4.98 117.00 108.63 2k7k n LEU 90 Ca -0.06 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2k7k n LEU 90 Cb 0.48 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 2k7k n LEU 90 CO 0.21 -3.17 -0.59 -0.67 -1.33 0.00 0.00 177.39 171.84 2k7k n ASP 91 N -3.25 4.19 -4.67 -1.43 2.03 -1.26 -5.04 116.55 107.11 2k7k n ASP 91 Ca 0.03 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.09 2k7k n ASP 91 Cb 0.57 0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 41.62 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 -2.12 2.82 -0.14 -0.67 1.51 -1.26 -5.04 117.35 112.46 2k7k s TYR 92 Ca -0.02 -0.16 0.19 0.00 -1.01 0.00 0.00 57.07 56.08 2k7k s TYR 92 Cb 0.01 -1.33 -0.28 0.00 -0.11 0.00 0.00 41.96 40.26 2k7k s TYR 92 CO 0.14 0.55 0.26 0.43 -1.11 0.00 0.00 175.55 175.81 2k7k n SER 93 N -0.43 0.05 -3.66 2.29 7.64 -1.26 -4.87 113.62 113.38 2k7k n SER 93 Ca -0.09 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 2k7k n SER 93 Cb 0.56 1.30 -0.08 0.00 -1.01 0.00 0.00 64.21 64.98 2k7k n SER 93 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k7k s ASP 94 N -5.17 -0.75 -0.03 6.43 1.01 -1.26 -4.96 116.67 111.94 2k7k s ASP 94 Ca -0.09 1.27 -0.36 0.00 0.71 0.00 0.00 52.55 54.08 2k7k s ASP 94 Cb 0.09 1.19 -0.14 0.00 1.01 0.00 0.00 42.92 45.06 2k7k s ASP 94 CO 0.86 -0.22 1.66 0.33 0.21 0.00 0.00 175.17 178.00 2k7k n PHE 95 N 3.87 2.08 -3.76 4.23 -0.00 -1.26 -4.69 117.46 117.93 2k7k n PHE 95 Ca -0.19 0.32 -0.26 0.00 -0.00 0.00 0.00 57.45 57.32 2k7k n PHE 95 Cb 0.57 -2.52 -0.17 0.00 -0.00 0.00 0.00 39.48 37.37 2k7k n PHE 95 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2k7k s GLN 96 N 2.36 0.69 0.07 -4.13 -0.21 -0.91 -4.90 119.66 112.61 2k7k s GLN 96 Ca 0.89 -0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.71 2k7k s GLN 96 Cb -0.83 -1.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 2k7k s GLN 96 CO 0.50 -0.52 1.78 0.42 -2.12 0.00 0.00 175.29 175.35 2k7k s ILE 97 N 1.88 2.93 0.16 1.08 1.01 -1.26 -4.19 121.20 122.82 2k7k s ILE 97 Ca 0.01 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 2k7k s ILE 97 Cb -0.15 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 2k7k s ILE 97 CO -0.07 -0.01 0.60 -0.69 0.00 0.00 0.00 174.94 174.77 2k7k s VAL 98 N 3.21 4.77 0.00 2.92 1.01 0.21 -4.87 120.40 127.65 2k7k s VAL 98 Ca 0.79 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2k7k s VAL 98 Cb -0.42 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2k7k s VAL 98 CO 0.35 0.25 0.05 0.29 0.00 0.00 0.00 175.10 176.04