#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 2.91 0.05 4.61 0.00 -1.26 -5.09 121.76 122.98 2k7k s ALA 2 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.32 2k7k s ALA 2 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2k7k s ALA 2 CO 0.00 -1.24 -0.17 -2.00 0.00 0.00 0.00 175.76 172.35 2k7k s GLU 3 N 1.33 2.05 0.00 0.00 2.12 -1.26 -5.05 118.70 117.90 2k7k s GLU 3 Ca -0.03 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.30 2k7k s GLU 3 Cb -0.19 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2k7k s GLU 3 CO 0.00 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 2k7k n GLY 4 N 1.44 -0.56 2.77 -1.50 0.00 -1.26 -5.11 105.19 100.97 2k7k n GLY 4 Ca -0.16 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 1.50 -0.90 1.61 2.20 -1.26 -5.08 114.94 109.01 2k7k s ASN 5 Ca 0.00 -0.52 -0.03 0.00 -0.94 0.00 0.00 52.86 51.37 2k7k s ASN 5 Cb 0.00 0.51 0.22 0.00 -2.00 0.00 0.00 41.25 39.98 2k7k s ASN 5 CO 0.00 -0.36 0.80 -0.89 -2.94 0.00 0.00 177.10 173.70 2k7k s THR 6 N 2.36 4.56 0.30 0.54 2.01 -1.26 -5.06 115.64 119.09 2k7k s THR 6 Ca 0.09 -3.71 -0.30 0.00 0.31 0.00 0.00 61.69 58.09 2k7k s THR 6 Cb -0.15 -3.82 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 2k7k s THR 6 CO -0.25 -1.08 1.52 0.18 -0.69 0.00 0.00 174.62 174.29 2k7k n LEU 7 N 2.51 4.08 -4.74 4.42 4.77 -1.26 -3.62 117.00 123.15 2k7k n LEU 7 Ca 0.20 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 57.02 2k7k n LEU 7 Cb 0.38 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 39.84 2k7k n LEU 7 CO 0.37 -0.04 -0.24 0.27 -1.33 0.00 0.00 177.39 176.42 2k7k s ILE 8 N -0.24 1.02 -0.17 -0.08 -4.36 0.69 -0.73 121.20 117.34 2k7k s ILE 8 Ca 0.63 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.97 2k7k s ILE 8 Cb -0.53 -2.12 0.08 0.00 1.25 0.00 0.00 42.46 41.14 2k7k s ILE 8 CO 0.52 0.00 0.31 -0.94 0.24 0.00 0.00 174.94 175.07 2k7k s SER 9 N -3.86 0.31 0.04 4.36 1.04 -0.17 -2.69 113.70 112.73 2k7k s SER 9 Ca 0.05 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.06 2k7k s SER 9 Cb 0.01 0.87 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 2k7k s SER 9 CO 0.03 -0.25 -0.07 0.54 0.98 0.00 0.00 173.24 174.47 2k7k s VAL 10 N 2.47 0.44 0.50 5.02 0.11 -1.16 -3.35 120.40 124.43 2k7k s VAL 10 Ca 0.03 -1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 57.96 2k7k s VAL 10 Cb -0.13 -0.56 0.11 0.00 -1.53 0.00 0.00 36.38 34.27 2k7k s VAL 10 CO -0.11 -0.43 0.68 0.47 -3.33 0.00 0.00 175.10 172.38 2k7k n ASP 11 N 1.44 0.43 -3.68 3.54 9.92 -1.26 -2.96 116.55 123.98 2k7k n ASP 11 Ca -0.23 -1.47 -0.14 0.00 -0.53 0.00 0.00 54.79 52.42 2k7k n ASP 11 Cb 0.55 -0.48 -0.08 0.00 -0.64 0.00 0.00 41.12 40.46 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2k7k s TYR 12 N -2.19 -0.50 -0.12 1.24 5.04 -0.97 -4.07 117.35 115.78 2k7k s TYR 12 Ca 0.41 1.09 -0.10 0.00 -2.44 0.00 0.00 57.07 56.03 2k7k s TYR 12 Cb -0.02 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2k7k s TYR 12 CO 0.28 -0.36 0.31 -2.00 -1.34 0.00 0.00 175.55 172.44 2k7k s GLU 13 N -0.35 0.35 0.05 4.97 2.12 -1.22 -3.07 118.70 121.55 2k7k s GLU 13 Ca -0.05 0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.80 2k7k s GLU 13 Cb -0.03 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 2k7k s GLU 13 CO 0.03 -0.06 -0.16 0.42 -0.54 0.00 0.00 175.26 174.95 2k7k s ILE 14 N 0.35 1.24 0.05 -3.70 -1.09 -1.23 -3.51 121.20 113.30 2k7k s ILE 14 Ca -0.01 -1.13 0.04 0.00 -2.23 0.00 0.00 60.65 57.31 2k7k s ILE 14 Cb -0.03 -1.12 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 2k7k s ILE 14 CO -0.01 -0.01 -0.11 0.12 -1.23 0.00 0.00 174.94 173.70 2k7k s PHE 15 N -0.94 0.92 0.00 3.97 5.36 -1.14 -3.78 117.98 122.36 2k7k s PHE 15 Ca 0.02 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 2k7k s PHE 15 Cb -0.09 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.06 2k7k s PHE 15 CO 0.02 -0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.17 2k7k n GLY 16 N 1.42 0.64 2.22 13.12 0.00 -1.26 -0.50 105.19 120.82 2k7k n GLY 16 Ca -0.22 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 2.59 -0.90 1.61 3.00 -1.15 -4.48 118.16 118.83 2k7k n LYS 17 Ca 0.00 -3.27 -0.08 0.00 -0.00 0.00 0.00 58.31 54.96 2k7k n LYS 17 Cb 0.00 -2.23 0.22 0.00 0.00 0.00 0.00 35.03 33.02 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 -0.98 2.75 -3.82 3.15 0.24 -1.26 -4.18 118.33 114.23 2k7k n VAL 18 Ca 0.59 -2.22 -0.36 0.00 -2.04 0.00 0.00 64.34 60.31 2k7k n VAL 18 Cb 0.98 -0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 32.87 2k7k n VAL 18 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k7k s GLN 19 N -3.16 2.18 0.00 7.34 -1.52 -1.26 -4.52 119.66 118.72 2k7k s GLN 19 Ca 0.49 -1.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.31 2k7k s GLN 19 Cb 0.42 -3.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 2k7k s GLN 19 CO 0.06 -0.89 0.00 0.41 -0.25 0.00 0.00 175.29 174.62 2k7k n GLY 20 N 4.62 1.13 2.42 3.09 0.00 -1.26 -5.10 105.19 110.10 2k7k n GLY 20 Ca -0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.99 0.00 -2.80 1.61 0.24 -1.26 -5.05 118.33 109.08 2k7k n VAL 21 Ca 0.00 -1.54 -0.44 0.00 -2.04 0.00 0.00 64.34 60.32 2k7k n VAL 21 Cb 0.03 0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.58 2k7k n VAL 21 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2k7k s PHE 22 N -2.10 3.21 -0.35 6.34 0.40 -1.26 -4.74 117.98 119.48 2k7k s PHE 22 Ca 0.05 -1.91 0.08 0.00 -0.60 0.00 0.00 56.93 54.55 2k7k s PHE 22 Cb -0.00 -4.49 0.67 0.00 0.51 0.00 0.00 43.02 39.71 2k7k s PHE 22 CO 0.03 -1.56 1.77 1.97 0.70 0.00 0.00 175.22 178.13 2k7k n PHE 23 N 6.76 2.34 0.00 0.36 1.16 -1.26 -4.23 117.46 122.60 2k7k n PHE 23 Ca 0.41 -1.45 0.00 0.00 -1.87 0.00 0.00 57.45 54.55 2k7k n PHE 23 Cb 0.44 -0.72 0.00 0.00 -1.61 0.00 0.00 39.48 37.60 2k7k n PHE 23 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2k7k n ARG 24 N -0.64 0.59 0.01 3.97 1.85 -1.26 -4.52 116.66 116.66 2k7k n ARG 24 Ca 0.44 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 57.17 2k7k n ARG 24 Cb 1.39 -0.85 -0.09 0.00 -1.05 0.00 0.00 32.46 31.86 2k7k n ARG 24 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2k7k h LYS 25 N 0.00 -0.09 -0.57 2.89 3.11 -1.97 -2.44 116.57 117.49 2k7k h LYS 25 Ca 0.00 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 2k7k h LYS 25 Cb 0.71 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 2k7k h LYS 25 CO 0.00 0.43 0.10 1.25 -2.81 0.00 0.00 179.45 178.41 2k7k h HIS 26 N -0.68 1.00 -0.89 1.91 2.76 -1.89 -1.33 115.15 116.03 2k7k h HIS 26 Ca -0.01 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 2k7k h HIS 26 Cb 0.56 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 2k7k h HIS 26 CO 0.11 0.87 0.58 1.15 -1.30 0.00 0.00 177.93 179.35 2k7k h THR 27 N 0.84 1.17 0.07 6.26 2.02 -1.79 -0.88 112.91 120.60 2k7k h THR 27 Ca 0.17 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2k7k h THR 27 Cb 0.41 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2k7k h THR 27 CO 0.01 0.21 -0.03 -0.61 0.37 0.00 0.00 175.52 175.47 2k7k h GLN 28 N 1.15 -0.09 -0.75 6.66 -0.00 -1.24 -1.18 115.11 119.66 2k7k h GLN 28 Ca 0.35 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 59.13 2k7k h GLN 28 Cb -0.04 0.02 -0.09 0.00 0.00 0.00 0.00 27.48 27.38 2k7k h GLN 28 CO -0.10 0.38 0.33 0.00 0.00 0.00 0.00 178.83 179.43 2k7k h ALA 29 N 0.25 1.06 0.00 3.38 0.00 -1.08 0.94 119.26 123.81 2k7k h ALA 29 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k7k h ALA 29 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k7k h ALA 29 CO 0.02 -0.15 -0.42 1.49 0.00 0.00 0.00 179.25 180.18 2k7k h GLU 30 N 0.50 0.00 0.00 0.00 4.22 -1.18 -3.04 114.58 115.08 2k7k h GLU 30 Ca 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.80 2k7k h GLU 30 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k7k h GLU 30 CO -0.36 0.42 -0.18 0.78 -2.18 0.00 0.00 179.01 177.49 2k7k h GLY 31 N 2.28 0.00 2.00 1.92 0.00 0.48 -2.46 103.07 107.29 2k7k h GLY 31 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2k7k h GLY 31 CO 0.06 0.00 -0.79 1.70 0.00 0.00 0.00 176.54 177.51 2k7k h LYS 32 N 0.00 0.00 0.22 4.80 3.64 -1.33 -2.51 116.57 121.39 2k7k h LYS 32 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k7k h LYS 32 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2k7k h LYS 32 CO 0.02 0.79 -0.34 0.87 -2.27 0.00 0.00 179.45 178.52 2k7k h LYS 33 N 0.00 -0.57 0.00 1.90 1.57 -1.52 -2.56 116.57 115.39 2k7k h LYS 33 Ca -0.01 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2k7k h LYS 33 Cb 1.44 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2k7k h LYS 33 CO 0.10 -0.38 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.17 2k7k h LEU 34 N -0.60 0.00 -2.97 2.94 -0.00 -1.68 -3.48 115.31 109.53 2k7k h LEU 34 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2k7k h LEU 34 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2k7k h LEU 34 CO -0.11 0.36 -0.03 0.61 -0.00 0.00 0.00 178.44 179.28 2k7k n GLY 35 N -0.02 0.30 3.39 0.83 0.00 -0.97 -5.10 105.19 103.63 2k7k n GLY 35 Ca -0.01 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.36 0.00 0.00 0.99 4.77 -1.08 -5.05 117.00 115.27 2k7k n LEU 36 Ca -0.00 -3.12 -0.16 0.00 -0.03 0.00 0.00 56.01 52.70 2k7k n LEU 36 Cb 0.50 0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 42.48 2k7k n LEU 36 CO 0.03 -0.47 0.02 1.33 -1.33 0.00 0.00 177.39 176.96 2k7k n VAL 37 N -0.98 0.00 0.00 4.08 0.24 -1.26 -2.45 118.33 117.96 2k7k n VAL 37 Ca -0.09 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2k7k n VAL 37 Cb 0.61 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 1.08 0.73 3.31 7.63 0.00 -1.26 -3.84 105.19 112.84 2k7k n GLY 38 Ca -0.03 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 2k7k n GLY 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k7k n TRP 39 N 4.23 -1.64 -3.81 1.61 2.14 -1.23 -2.92 117.44 115.82 2k7k n TRP 39 Ca 0.00 -1.32 -0.14 0.00 2.07 0.00 0.00 57.50 58.12 2k7k n TRP 39 Cb 0.00 0.65 -0.15 0.00 -0.81 0.00 0.00 31.31 31.00 2k7k n TRP 39 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2k7k s VAL 40 N -2.16 -0.03 0.33 -1.67 1.01 -1.26 -3.73 120.40 112.88 2k7k s VAL 40 Ca 0.17 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.34 2k7k s VAL 40 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2k7k s VAL 40 CO 0.07 0.05 0.31 -1.10 0.00 0.00 0.00 175.10 174.43 2k7k s GLN 41 N 0.62 1.78 0.21 2.72 -1.52 -1.18 -3.64 119.66 118.65 2k7k s GLN 41 Ca -0.05 -1.99 0.04 0.00 -1.95 0.00 0.00 55.36 51.41 2k7k s GLN 41 Cb -0.07 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 33.01 2k7k s GLN 41 CO -0.02 -0.67 -0.03 0.54 -0.25 0.00 0.00 175.29 174.86 2k7k s ASN 42 N -3.36 1.86 0.50 5.90 4.22 -1.26 -3.85 114.94 118.96 2k7k s ASN 42 Ca 0.40 -1.17 0.02 0.00 -2.14 0.00 0.00 52.86 49.96 2k7k s ASN 42 Cb 0.02 -0.00 -0.02 0.00 1.28 0.00 0.00 41.25 42.53 2k7k s ASN 42 CO 0.27 -0.46 0.00 0.42 -2.04 0.00 0.00 177.10 175.29 2k7k s THR 43 N -3.38 1.23 -0.26 0.54 -4.23 -1.26 -4.93 115.64 103.35 2k7k s THR 43 Ca 0.26 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 2k7k s THR 43 Cb 0.05 -2.23 0.53 0.00 1.34 0.00 0.00 72.50 72.18 2k7k s THR 43 CO 0.07 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.10 2k7k n ASP 44 N -1.24 3.07 0.00 3.99 8.00 -1.26 -4.74 116.55 124.37 2k7k n ASP 44 Ca -0.18 -3.50 0.00 0.00 0.71 0.00 0.00 54.79 51.82 2k7k n ASP 44 Cb 0.67 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2k7k n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k7k n ARG 45 N -0.91 0.00 0.00 -1.24 5.12 -1.26 -5.07 116.66 113.30 2k7k n ARG 45 Ca 0.31 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2k7k n ARG 45 Cb 1.04 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 32.23 2k7k n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7k n GLY 46 N 3.08 0.00 3.54 -0.13 0.00 -1.26 -5.16 105.19 105.25 2k7k n GLY 46 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.04 2.61 -4.23 -1.26 -4.85 115.64 107.95 2k7k s THR 47 Ca 0.00 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 2k7k s THR 47 Cb 0.00 -0.96 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 2k7k s THR 47 CO 0.00 -0.01 0.48 -0.69 -0.54 0.00 0.00 174.62 173.86 2k7k s VAL 48 N -0.49 4.90 0.07 2.29 1.01 -1.25 -4.00 120.40 122.93 2k7k s VAL 48 Ca -0.06 0.99 0.07 0.00 0.00 0.00 0.00 61.98 62.99 2k7k s VAL 48 Cb -0.02 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2k7k s VAL 48 CO 0.06 0.55 -0.20 -1.10 0.00 0.00 0.00 175.10 174.40 2k7k s GLN 49 N -1.15 1.21 0.09 2.72 -0.21 -1.25 -3.57 119.66 117.50 2k7k s GLN 49 Ca 0.27 -1.03 -0.25 0.00 0.02 0.00 0.00 55.36 54.36 2k7k s GLN 49 Cb -0.18 -1.39 0.08 0.00 1.00 0.00 0.00 33.01 32.52 2k7k s GLN 49 CO 0.16 0.34 0.68 0.20 -2.12 0.00 0.00 175.29 174.55 2k7k s GLY 50 N -1.53 -0.57 0.14 3.09 0.00 -1.17 -3.12 107.32 104.15 2k7k s GLY 50 Ca 0.06 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.61 2k7k s GLY 50 CO 0.03 0.31 -0.11 1.20 0.00 0.00 0.00 173.10 174.53 2k7k s GLN 51 N -3.25 2.03 0.00 2.90 -1.52 -1.24 -2.30 119.66 116.29 2k7k s GLN 51 Ca 0.00 -1.17 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 2k7k s GLN 51 Cb -0.01 -2.20 0.01 0.00 -0.22 0.00 0.00 33.01 30.59 2k7k s GLN 51 CO -0.09 0.47 0.21 -1.17 -0.25 0.00 0.00 175.29 174.46 2k7k s LEU 52 N -2.49 1.25 0.16 2.90 2.96 -1.16 -3.55 118.68 118.75 2k7k s LEU 52 Ca 0.22 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2k7k s LEU 52 Cb -0.10 0.95 -0.02 0.00 0.50 0.00 0.00 46.19 47.52 2k7k s LEU 52 CO 0.14 -0.43 0.21 -1.10 -1.32 0.00 0.00 176.35 173.84 2k7k s GLN 53 N -1.57 1.12 0.00 1.98 -0.21 -1.25 -2.97 119.66 116.76 2k7k s GLN 53 Ca -0.13 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 53.93 2k7k s GLN 53 Cb -0.06 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.28 2k7k s GLN 53 CO 0.02 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 2k7k n GLY 54 N -0.20 0.62 3.77 3.09 0.00 -1.10 -4.19 105.19 107.19 2k7k n GLY 54 Ca -0.05 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.19 3.54 0.59 1.61 0.04 -1.26 -0.22 135.00 138.12 2k7k s PRO 55 Ca 0.00 1.68 0.29 0.00 0.04 0.00 0.00 61.00 63.01 2k7k s PRO 55 Cb 0.00 -2.19 1.64 0.00 0.04 0.00 0.00 34.50 33.99 2k7k s PRO 55 CO 0.00 -0.71 2.07 0.97 0.04 0.00 0.00 177.00 179.37 2k7k h ILE 56 N 1.51 0.42 0.00 0.56 2.10 -1.92 0.34 117.51 120.52 2k7k h ILE 56 Ca -0.50 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.38 2k7k h ILE 56 Cb 1.25 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2k7k h ILE 56 CO 0.58 0.00 -0.31 -1.28 -1.08 0.00 0.00 178.15 176.06 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.87 -1.91 -1.55 113.55 113.15 2k7k h SER 57 Ca 0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.33 2k7k h SER 57 Cb 0.60 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 2k7k h SER 57 CO -0.00 0.31 -2.31 0.29 -0.53 0.00 0.00 176.83 174.59 2k7k n LYS 58 N -3.46 0.80 0.06 2.24 5.02 0.82 -4.20 118.16 119.44 2k7k n LYS 58 Ca 0.00 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 2k7k n LYS 58 Cb 0.48 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2k7k h VAL 59 N 0.00 1.39 0.00 -0.18 2.07 -0.52 0.74 116.25 119.75 2k7k h VAL 59 Ca -0.49 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 64.74 2k7k h VAL 59 Cb 2.11 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 34.07 2k7k h VAL 59 CO 0.03 0.67 -0.24 0.03 0.02 0.00 0.00 177.57 178.07 2k7k h ARG 60 N 0.25 0.00 0.05 1.57 2.47 -1.49 -0.35 114.38 116.88 2k7k h ARG 60 Ca -0.04 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.32 2k7k h ARG 60 Cb 1.37 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.64 2k7k h ARG 60 CO 0.13 0.24 -2.13 0.72 0.56 0.00 0.00 179.97 179.50 2k7k n HIS 61 N -3.63 0.71 0.18 3.04 8.25 -1.17 -3.90 115.22 118.70 2k7k n HIS 61 Ca -0.01 0.18 0.04 0.00 -0.26 0.00 0.00 57.72 57.67 2k7k n HIS 61 Cb 0.37 -1.10 0.32 0.00 1.12 0.00 0.00 29.99 30.70 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 0.03 0.00 0.00 -0.41 1.85 -0.78 0.71 114.93 116.33 2k7k h MET 62 Ca -0.46 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.54 2k7k h MET 62 Cb 2.02 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 34.04 2k7k h MET 62 CO 0.03 0.42 -0.47 -0.56 -0.40 0.00 0.00 176.91 175.93 2k7k h GLN 63 N 0.00 0.00 0.00 0.39 3.07 -1.23 -2.59 115.11 114.75 2k7k h GLN 63 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k7k h GLN 63 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.45 2k7k h GLN 63 CO 0.05 0.47 -1.51 -0.85 0.09 0.00 0.00 178.83 177.08 2k7k n GLU 64 N -3.44 0.38 0.07 0.06 0.28 -1.08 -3.83 120.64 113.08 2k7k n GLU 64 Ca 0.00 -0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 56.76 2k7k n GLU 64 Cb 0.61 -1.53 -0.14 0.00 1.43 0.00 0.00 31.44 31.81 2k7k n GLU 64 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 2k7k h TRP 65 N 0.00 0.37 0.00 -1.84 2.91 -0.82 -3.06 115.95 113.51 2k7k h TRP 65 Ca 0.00 -0.27 -0.19 0.00 1.13 0.00 0.00 58.89 59.56 2k7k h TRP 65 Cb 0.79 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.40 2k7k h TRP 65 CO 0.00 1.27 -0.91 -0.07 -1.03 0.00 0.00 178.44 177.70 2k7k h LEU 66 N 0.06 0.00 -0.17 0.65 4.07 -1.65 0.26 115.31 118.53 2k7k h LEU 66 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 2k7k h LEU 66 Cb 1.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.70 2k7k h LEU 66 CO 0.17 0.91 0.00 1.05 -1.08 0.00 0.00 178.44 179.49 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 -0.00 -1.66 -3.38 114.58 110.67 2k7k h GLU 67 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2k7k h GLU 67 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.36 2k7k h GLU 67 CO 0.12 0.00 -0.61 0.25 -0.00 0.00 0.00 179.01 178.77 2k7k n THR 68 N -2.63 1.03 -1.57 -1.06 -2.24 -1.16 -4.98 114.28 101.68 2k7k n THR 68 Ca 0.04 0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.78 2k7k n THR 68 Cb 0.44 -2.01 0.12 0.00 -2.10 0.00 0.00 70.33 66.78 2k7k n THR 68 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k7k s ARG 69 N -2.26 1.44 0.00 -0.78 1.81 0.07 -5.06 118.95 114.17 2k7k s ARG 69 Ca -0.18 0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.20 2k7k s ARG 69 Cb 0.02 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 2k7k s ARG 69 CO 0.26 -2.01 0.00 0.41 -0.68 0.00 0.00 175.30 173.28 2k7k n GLY 70 N -2.26 3.86 3.47 -3.53 0.00 -1.26 -4.64 105.19 100.82 2k7k n GLY 70 Ca 0.07 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k7k n SER 71 N 0.00 -1.56 0.12 1.61 3.41 -1.26 -4.86 113.62 111.08 2k7k n SER 71 Ca 0.00 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 2k7k n SER 71 Cb 0.00 -1.26 0.48 0.00 -0.26 0.00 0.00 64.21 63.18 2k7k n SER 71 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2k7k n PRO 72 N -2.34 0.18 -0.86 4.33 -0.04 -1.26 -2.44 135.00 132.57 2k7k n PRO 72 Ca 0.08 0.42 -0.07 0.00 -0.04 0.00 0.00 63.50 63.88 2k7k n PRO 72 Cb 0.54 -1.85 0.20 0.00 -0.04 0.00 0.00 33.50 32.35 2k7k n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k7k n LYS 73 N -2.20 1.98 -3.08 0.54 4.76 -1.26 -4.67 118.16 114.24 2k7k n LYS 73 Ca 0.02 -3.15 -0.20 0.00 -2.87 0.00 0.00 58.31 52.11 2k7k n LYS 73 Cb 0.22 -1.88 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 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 -1.08 1.99 -4.67 4.39 2.88 -1.02 -4.55 113.62 111.55 2k7k n SER 74 Ca 0.37 -3.20 -0.50 0.00 -1.33 0.00 0.00 58.87 54.20 2k7k n SER 74 Cb 1.13 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k7k n HIS 75 N 0.10 2.24 -3.14 0.66 -0.00 -1.26 -4.78 115.22 109.03 2k7k n HIS 75 Ca 0.26 0.10 -0.45 0.00 -0.00 0.00 0.00 57.72 57.64 2k7k n HIS 75 Cb 0.59 -2.62 -0.00 0.00 -0.00 0.00 0.00 29.99 27.95 2k7k n HIS 75 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2k7k s ILE 76 N 4.30 5.47 0.11 3.57 1.01 -1.26 -2.91 121.20 131.49 2k7k s ILE 76 Ca 0.95 -2.92 -0.16 0.00 0.00 0.00 0.00 60.65 58.52 2k7k s ILE 76 Cb -0.76 -4.75 -0.04 0.00 0.01 0.00 0.00 42.46 36.92 2k7k s ILE 76 CO 0.54 -1.40 1.59 -0.78 0.00 0.00 0.00 174.94 174.89 2k7k h ASP 77 N 7.06 0.57 -2.93 3.58 1.82 -1.14 -3.43 116.42 121.96 2k7k h ASP 77 Ca 0.24 -0.27 -0.34 0.00 -0.39 0.00 0.00 57.03 56.27 2k7k h ASP 77 Cb 0.89 -0.15 -0.37 0.00 0.68 0.00 0.00 39.33 40.38 2k7k h ASP 77 CO 1.11 0.70 -0.66 -0.54 -1.61 0.00 0.00 179.24 178.24 2k7k s LYS 78 N -5.15 0.08 -0.35 0.28 -0.14 -1.23 -5.00 119.74 108.24 2k7k s LYS 78 Ca -0.13 0.33 0.03 0.00 -1.36 0.00 0.00 55.97 54.84 2k7k s LYS 78 Cb 0.09 -0.84 0.10 0.00 -1.68 0.00 0.00 37.83 35.50 2k7k s LYS 78 CO 0.77 -0.48 0.06 0.00 -0.76 0.00 0.00 175.35 174.94 2k7k s ALA 79 N 2.27 2.92 0.40 5.17 0.00 -1.26 -2.87 121.76 128.38 2k7k s ALA 79 Ca 0.04 -2.52 0.08 0.00 0.00 0.00 0.00 51.96 49.56 2k7k s ALA 79 Cb -0.14 -2.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 2k7k s ALA 79 CO -0.08 -1.69 0.12 -0.80 0.00 0.00 0.00 175.76 173.31 2k7k s ASN 80 N 1.01 4.28 0.24 0.00 0.01 -1.23 -5.02 114.94 114.24 2k7k s ASN 80 Ca 0.10 -1.11 0.05 0.00 -0.71 0.00 0.00 52.86 51.19 2k7k s ASN 80 Cb -0.19 -0.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.93 2k7k s ASN 80 CO -0.07 -0.47 -0.04 0.72 -1.51 0.00 0.00 177.10 175.73 2k7k s PHE 81 N -2.60 1.68 0.78 2.20 -0.12 -1.26 -3.44 117.98 115.21 2k7k s PHE 81 Ca 0.39 -0.82 -0.06 0.00 -0.05 0.00 0.00 56.93 56.38 2k7k s PHE 81 Cb 0.04 -0.96 0.17 0.00 -0.63 0.00 0.00 43.02 41.64 2k7k s PHE 81 CO 0.21 0.10 1.06 0.09 -0.05 0.00 0.00 175.22 176.63 2k7k n ASN 82 N -0.46 0.79 -4.56 1.98 5.03 -1.26 -4.93 115.26 111.85 2k7k n ASN 82 Ca -0.06 -1.82 -0.22 0.00 0.87 0.00 0.00 54.58 53.36 2k7k n ASN 82 Cb 0.63 -0.75 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 2k7k n ASN 82 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2k7k s ASN 83 N -5.11 4.65 0.13 6.41 0.01 -1.26 -4.78 114.94 114.99 2k7k s ASN 83 Ca 0.66 -0.32 -0.35 0.00 -0.71 0.00 0.00 52.86 52.13 2k7k s ASN 83 Cb -0.03 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.93 2k7k s ASN 83 CO 0.45 -3.17 1.46 1.21 -1.51 0.00 0.00 177.10 175.54 2k7k n GLU 84 N 8.86 1.71 -4.13 -0.60 2.13 -1.26 -4.91 120.64 122.43 2k7k n GLU 84 Ca 0.42 0.62 -0.13 0.00 0.66 0.00 0.00 57.16 58.73 2k7k n GLU 84 Cb 0.46 -2.32 -0.11 0.00 0.27 0.00 0.00 31.44 29.74 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 0.66 0.72 0.15 5.31 -2.85 -1.21 -5.00 119.74 117.53 2k7k s LYS 85 Ca 0.81 -1.06 -0.01 0.00 -1.00 0.00 0.00 55.97 54.71 2k7k s LYS 85 Cb -0.80 -0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 34.58 2k7k s LYS 85 CO 0.42 0.04 0.34 0.14 0.10 0.00 0.00 175.35 176.39 2k7k s VAL 86 N -2.37 5.25 0.29 1.79 -7.23 -1.26 -1.00 120.40 115.86 2k7k s VAL 86 Ca 0.01 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 2k7k s VAL 86 Cb -0.03 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2k7k s VAL 86 CO -0.01 -0.05 0.27 2.30 -0.31 0.00 0.00 175.10 177.30 2k7k n ILE 87 N -0.26 0.00 0.25 -0.62 -0.00 0.09 -4.93 119.36 113.89 2k7k n ILE 87 Ca -0.04 -2.06 -0.11 0.00 -0.00 0.00 0.00 62.75 60.54 2k7k n ILE 87 Cb 0.53 1.05 -0.05 0.00 -0.00 0.00 0.00 39.64 41.17 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 -0.58 0.00 7.28 -0.00 -1.99 -3.38 115.31 116.64 2k7k h LEU 88 Ca -0.21 0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 57.52 2k7k h LEU 88 Cb 1.04 0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 2k7k h LEU 88 CO 0.30 -0.23 -0.03 2.29 -0.00 0.00 0.00 178.44 180.77 2k7k n LYS 89 N -4.87 0.67 -0.73 1.13 2.85 -1.26 -4.63 118.16 111.32 2k7k n LYS 89 Ca -0.09 -2.16 -0.29 0.00 -1.05 0.00 0.00 58.31 54.72 2k7k n LYS 89 Cb 0.27 2.22 0.25 0.00 -0.65 0.00 0.00 35.03 37.12 2k7k n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k7k s LEU 90 N 0.00 0.31 -0.03 -5.58 1.43 -1.26 -5.00 118.68 108.55 2k7k s LEU 90 Ca 0.21 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 2k7k s LEU 90 Cb -0.02 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2k7k s LEU 90 CO 0.15 -4.38 0.03 -0.67 0.23 0.00 0.00 176.35 171.72 2k7k n ASP 91 N -4.99 4.03 -4.65 2.29 2.03 -1.26 -5.06 116.55 108.95 2k7k n ASP 91 Ca 0.08 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.15 2k7k n ASP 91 Cb 0.58 0.75 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 2k7k n ASP 91 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2k7k n TYR 92 N -2.02 -0.61 -0.11 -0.67 4.02 -1.26 -5.07 117.16 111.44 2k7k n TYR 92 Ca -0.05 -2.18 -0.13 0.00 -0.01 0.00 0.00 57.90 55.53 2k7k n TYR 92 Cb 0.50 -0.42 -0.13 0.00 -0.02 0.00 0.00 39.34 39.27 2k7k n TYR 92 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2k7k n SER 93 N -1.83 1.28 -3.59 7.72 7.64 -1.26 -5.01 113.62 118.57 2k7k n SER 93 Ca -0.02 -0.06 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 2k7k n SER 93 Cb 0.59 0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7k s ASP 94 N -5.80 -0.13 0.61 6.43 2.15 -1.26 -4.94 116.67 113.73 2k7k s ASP 94 Ca -0.21 -0.59 -0.19 0.00 0.43 0.00 0.00 52.55 52.00 2k7k s ASP 94 Cb 0.07 0.58 -0.03 0.00 -0.30 0.00 0.00 42.92 43.24 2k7k s ASP 94 CO 0.66 -1.10 1.26 0.72 -0.17 0.00 0.00 175.17 176.54 2k7k s PHE 95 N -3.04 2.25 -0.28 -5.34 -0.12 -1.02 -4.31 117.98 106.10 2k7k s PHE 95 Ca 0.14 1.49 -0.16 0.00 -0.05 0.00 0.00 56.93 58.36 2k7k s PHE 95 Cb -0.03 -3.60 0.09 0.00 -0.63 0.00 0.00 43.02 38.85 2k7k s PHE 95 CO 0.05 -2.57 0.71 -0.65 -0.05 0.00 0.00 175.22 172.71 2k7k s GLN 96 N -3.32 0.68 0.29 1.99 -0.21 -1.15 -4.93 119.66 113.02 2k7k s GLN 96 Ca 0.79 1.18 -0.16 0.00 0.02 0.00 0.00 55.36 57.20 2k7k s GLN 96 Cb -0.34 0.14 -0.09 0.00 1.00 0.00 0.00 33.01 33.72 2k7k s GLN 96 CO 0.37 -0.14 0.72 0.42 -2.12 0.00 0.00 175.29 174.54 2k7k s ILE 97 N 1.61 4.67 -0.18 1.08 1.01 -1.26 -3.96 121.20 124.16 2k7k s ILE 97 Ca -0.10 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 2k7k s ILE 97 Cb -0.05 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 2k7k s ILE 97 CO -0.19 -0.08 -0.08 -0.69 0.00 0.00 0.00 174.94 173.89 2k7k s VAL 98 N -1.86 3.21 -2.00 2.92 1.01 -1.24 -4.93 120.40 117.51 2k7k s VAL 98 Ca 0.51 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2k7k s VAL 98 Cb -0.12 -2.41 0.26 0.00 0.00 0.00 0.00 36.38 34.11 2k7k s VAL 98 CO 0.18 0.47 1.00 0.29 0.00 0.00 0.00 175.10 177.05