#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 1.06 -0.16 4.61 0.00 -1.26 -5.13 121.76 120.88 2k7k s ALA 2 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2k7k s ALA 2 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2k7k s ALA 2 CO 0.00 0.08 0.23 -1.21 0.00 0.00 0.00 175.76 174.87 2k7k s GLU 3 N 0.69 4.11 0.00 0.00 2.02 -1.26 -4.97 118.70 119.29 2k7k s GLU 3 Ca -0.13 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2k7k s GLU 3 Cb -0.15 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.70 2k7k s GLU 3 CO 0.03 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2k7k n GLY 4 N 3.15 1.49 3.86 -1.39 0.00 -1.26 -5.01 105.19 106.03 2k7k n GLY 4 Ca -0.14 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -4.69 -4.48 1.61 4.13 -1.26 -4.87 115.26 105.70 2k7k n ASN 5 Ca 0.00 -0.75 -0.44 0.00 1.68 0.00 0.00 54.58 55.08 2k7k n ASN 5 Cb 0.00 -3.75 -0.00 0.00 -1.54 0.00 0.00 39.78 34.48 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 -3.26 4.86 -0.24 3.41 2.01 -1.26 -4.98 115.64 116.18 2k7k s THR 6 Ca 0.64 -2.49 -0.35 0.00 0.31 0.00 0.00 61.69 59.79 2k7k s THR 6 Cb -0.32 -4.96 -0.12 0.00 0.01 0.00 0.00 72.50 67.10 2k7k s THR 6 CO 0.79 -1.69 2.00 -0.11 -0.69 0.00 0.00 174.62 174.92 2k7k n LEU 7 N 6.16 2.68 -4.42 4.42 -0.00 -1.26 -2.80 117.00 121.78 2k7k n LEU 7 Ca 0.39 0.72 -0.21 0.00 -0.00 0.00 0.00 56.01 56.90 2k7k n LEU 7 Cb 0.43 -1.29 -0.09 0.00 -0.00 0.00 0.00 43.42 42.47 2k7k n LEU 7 CO 0.65 -0.45 -0.22 0.27 -0.00 0.00 0.00 177.39 177.64 2k7k s ILE 8 N 5.57 0.65 0.04 1.96 -4.36 0.74 -2.63 121.20 123.16 2k7k s ILE 8 Ca 1.01 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 59.44 2k7k s ILE 8 Cb -0.82 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 40.33 2k7k s ILE 8 CO 0.53 0.00 -0.11 -0.94 0.24 0.00 0.00 174.94 174.66 2k7k s SER 9 N -3.47 1.23 -0.10 4.36 1.04 -0.13 -0.98 113.70 115.65 2k7k s SER 9 Ca 0.32 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.99 2k7k s SER 9 Cb 0.05 -0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.24 2k7k s SER 9 CO 0.16 -0.06 0.89 0.54 0.98 0.00 0.00 173.24 175.75 2k7k s VAL 10 N -0.99 0.00 0.36 5.02 0.11 -1.07 -1.10 120.40 122.72 2k7k s VAL 10 Ca -0.03 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2k7k s VAL 10 Cb -0.08 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2k7k s VAL 10 CO 0.01 0.00 0.26 0.47 -3.33 0.00 0.00 175.10 172.51 2k7k n ASP 11 N 0.60 2.19 -3.09 3.54 9.92 -1.26 -2.58 116.55 125.87 2k7k n ASP 11 Ca -0.12 -2.26 -0.16 0.00 -0.53 0.00 0.00 54.79 51.72 2k7k n ASP 11 Cb 0.58 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 41.01 2k7k n ASP 11 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2k7k n TYR 12 N -1.34 -1.38 -3.51 1.24 4.01 -0.13 -2.32 117.16 113.73 2k7k n TYR 12 Ca -0.02 -2.49 -0.00 0.00 -0.16 0.00 0.00 57.90 55.23 2k7k n TYR 12 Cb 0.42 0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 39.93 2k7k n TYR 12 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2k7k s GLU 13 N -2.90 0.37 -0.02 -0.72 2.12 -0.84 -3.03 118.70 113.68 2k7k s GLU 13 Ca 0.31 0.84 0.06 0.00 0.36 0.00 0.00 54.97 56.55 2k7k s GLU 13 Cb -0.01 0.40 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2k7k s GLU 13 CO 0.23 -0.11 -0.21 0.42 -0.54 0.00 0.00 175.26 175.05 2k7k s ILE 14 N 2.19 1.63 0.19 -3.70 1.09 -1.23 -2.06 121.20 119.31 2k7k s ILE 14 Ca -0.05 -0.88 0.11 0.00 -1.10 0.00 0.00 60.65 58.73 2k7k s ILE 14 Cb -0.06 -1.36 -0.04 0.00 -1.06 0.00 0.00 42.46 39.94 2k7k s ILE 14 CO -0.17 0.46 -0.23 0.12 -0.10 0.00 0.00 174.94 175.02 2k7k s PHE 15 N -0.48 2.33 0.00 3.97 5.36 -1.16 -2.57 117.98 125.43 2k7k s PHE 15 Ca 0.08 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 2k7k s PHE 15 Cb -0.08 -1.15 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 2k7k s PHE 15 CO -0.01 0.50 0.00 0.41 -1.46 0.00 0.00 175.22 174.67 2k7k n GLY 16 N 0.24 0.36 2.15 13.12 0.00 -1.26 -0.26 105.19 119.53 2k7k n GLY 16 Ca -0.12 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 2.22 -0.93 1.61 3.00 -1.25 -4.40 118.16 118.41 2k7k n LYS 17 Ca 0.00 -2.35 -0.09 0.00 -0.00 0.00 0.00 58.31 55.87 2k7k n LYS 17 Cb 0.00 -1.94 0.23 0.00 0.00 0.00 0.00 35.03 33.32 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 -0.12 2.79 -0.05 3.15 0.24 -1.26 -4.06 118.33 119.02 2k7k n VAL 18 Ca 0.45 -2.16 -0.12 0.00 -2.04 0.00 0.00 64.34 60.47 2k7k n VAL 18 Cb 0.59 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.84 0.28 -3.01 7.34 6.02 -1.26 -4.72 117.38 121.19 2k7k n GLN 19 Ca 0.41 0.12 -0.40 0.00 -0.01 0.00 0.00 57.00 57.12 2k7k n GLN 19 Cb 1.28 -0.97 -0.00 0.00 1.02 0.00 0.00 30.24 31.57 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7k n GLY 20 N 2.26 5.28 3.58 1.08 0.00 -1.26 -4.96 105.19 111.17 2k7k n GLY 20 Ca -0.21 -2.67 -0.15 0.00 0.00 0.00 0.00 46.02 42.98 2k7k n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7k s VAL 21 N -3.01 0.00 -1.27 1.61 0.11 -1.26 -5.08 120.40 111.51 2k7k s VAL 21 Ca 0.34 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 2k7k s VAL 21 Cb 0.09 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.08 2k7k s VAL 21 CO 0.06 0.00 1.70 0.49 -3.33 0.00 0.00 175.10 174.02 2k7k n PHE 22 N 1.87 4.06 -0.03 1.54 3.72 -1.26 -4.50 117.46 122.86 2k7k n PHE 22 Ca -0.16 -3.06 -0.01 0.00 -0.05 0.00 0.00 57.45 54.17 2k7k n PHE 22 Cb 0.56 -2.17 -0.07 0.00 -0.94 0.00 0.00 39.48 36.86 2k7k n PHE 22 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2k7k n PHE 23 N 5.27 0.00 -0.17 1.38 -1.74 -1.26 -4.56 117.46 116.38 2k7k n PHE 23 Ca 0.40 0.00 0.22 0.00 -0.56 0.00 0.00 57.45 57.51 2k7k n PHE 23 Cb 0.40 -0.33 0.61 0.00 1.52 0.00 0.00 39.48 41.68 2k7k n PHE 23 CO 0.00 0.00 0.00 0.07 -0.56 0.00 0.00 176.76 176.27 2k7k h ARG 24 N 0.00 0.21 -0.32 3.97 0.11 -1.99 0.25 114.38 116.62 2k7k h ARG 24 Ca -0.14 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.79 2k7k h ARG 24 Cb 1.10 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 2k7k h ARG 24 CO 0.01 0.14 -0.36 0.87 0.10 0.00 0.00 179.97 180.72 2k7k h LYS 25 N 0.21 0.80 0.00 0.08 1.57 -1.95 -2.95 116.57 114.34 2k7k h LYS 25 Ca 0.40 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2k7k h LYS 25 Cb 1.26 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2k7k h LYS 25 CO -0.09 1.07 -0.47 1.25 -0.57 0.00 0.00 179.45 180.64 2k7k h HIS 26 N 0.57 0.00 0.00 -1.35 2.76 -1.17 -3.06 115.15 112.90 2k7k h HIS 26 Ca 0.04 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2k7k h HIS 26 Cb 0.95 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2k7k h HIS 26 CO 0.07 0.47 -0.24 1.15 -1.30 0.00 0.00 177.93 178.08 2k7k h THR 27 N 0.00 0.66 0.09 6.26 2.02 -0.51 -2.80 112.91 118.62 2k7k h THR 27 Ca -0.00 -1.07 -0.27 0.00 0.77 0.00 0.00 66.41 65.84 2k7k h THR 27 Cb 1.14 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2k7k h THR 27 CO 0.06 0.23 -1.15 -0.61 0.37 0.00 0.00 175.52 174.42 2k7k h GLN 28 N 0.00 0.44 0.02 6.66 5.75 -1.41 -1.40 115.11 125.17 2k7k h GLN 28 Ca -0.00 -0.59 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 2k7k h GLN 28 Cb 0.67 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.42 2k7k h GLN 28 CO 0.03 1.24 -0.01 0.00 -2.65 0.00 0.00 178.83 177.44 2k7k h ALA 29 N 0.53 -0.66 0.00 3.38 0.00 -1.54 -3.13 119.26 117.84 2k7k h ALA 29 Ca -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k7k h ALA 29 Cb 1.83 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2k7k h ALA 29 CO 0.20 -0.66 -0.08 1.49 0.00 0.00 0.00 179.25 180.20 2k7k h GLU 30 N -0.04 0.00 0.00 0.00 4.81 -1.68 -1.64 114.58 116.03 2k7k h GLU 30 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k7k h GLU 30 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k7k h GLU 30 CO 0.00 0.08 0.00 0.78 -0.73 0.00 0.00 179.01 179.15 2k7k h GLY 31 N 0.49 0.00 1.80 1.92 0.00 -1.30 -1.98 103.07 104.01 2k7k h GLY 31 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2k7k h GLY 31 CO 0.01 0.00 -0.90 1.70 0.00 0.00 0.00 176.54 177.35 2k7k h LYS 32 N 0.00 0.18 -0.96 4.80 3.64 -1.23 0.24 116.57 123.24 2k7k h LYS 32 Ca 0.00 -0.20 0.19 0.00 -1.27 0.00 0.00 60.65 59.37 2k7k h LYS 32 Cb 0.17 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 2k7k h LYS 32 CO 0.00 0.96 0.61 0.87 -2.27 0.00 0.00 179.45 179.62 2k7k h LYS 33 N 0.09 0.58 0.00 1.90 1.57 -1.50 -2.45 116.57 116.77 2k7k h LYS 33 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2k7k h LYS 33 Cb 1.54 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 2k7k h LYS 33 CO 0.14 0.39 -0.44 1.28 -0.57 0.00 0.00 179.45 180.24 2k7k n LEU 34 N -4.62 1.45 -2.97 2.94 7.99 -1.22 -4.90 117.00 115.67 2k7k n LEU 34 Ca 0.21 -2.41 -0.14 0.00 -0.01 0.00 0.00 56.01 53.66 2k7k n LEU 34 Cb 0.62 -0.24 -0.02 0.00 -0.11 0.00 0.00 43.42 43.68 2k7k n LEU 34 CO 0.26 0.67 -0.03 0.61 -1.51 0.00 0.00 177.39 177.39 2k7k n GLY 35 N -0.58 0.84 0.45 -0.72 0.00 0.84 -4.82 105.19 101.20 2k7k n GLY 35 Ca 0.10 -0.40 0.27 0.00 0.00 0.00 0.00 46.02 45.99 2k7k n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k7k h LEU 36 N 4.62 0.00 -7.75 0.99 5.85 -1.76 -3.37 115.31 113.89 2k7k h LEU 36 Ca 0.04 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2k7k h LEU 36 Cb 1.00 -0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 2k7k h LEU 36 CO 0.27 0.00 -0.40 0.68 -0.34 0.00 0.00 178.44 178.65 2k7k s VAL 37 N -4.99 0.11 0.00 1.05 -7.23 -1.26 -4.55 120.40 103.53 2k7k s VAL 37 Ca -0.05 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2k7k s VAL 37 Cb 0.21 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2k7k s VAL 37 CO 0.76 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 2k7k n GLY 38 N 0.70 3.74 3.05 2.32 0.00 -1.21 -3.12 105.19 110.67 2k7k n GLY 38 Ca -0.19 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.54 -0.18 1.61 -2.14 -1.24 -2.52 118.94 113.01 2k7k s TRP 39 Ca 0.00 -0.62 -0.08 0.00 2.66 0.00 0.00 56.10 58.07 2k7k s TRP 39 Cb 0.00 -0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 29.99 2k7k s TRP 39 CO 0.00 -0.16 0.08 0.08 -2.66 0.00 0.00 176.95 174.29 2k7k s VAL 40 N -1.92 4.95 0.17 -0.66 1.01 -1.22 -0.84 120.40 121.89 2k7k s VAL 40 Ca -0.08 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2k7k s VAL 40 Cb -0.06 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2k7k s VAL 40 CO -0.02 0.47 -0.12 -1.58 0.00 0.00 0.00 175.10 173.85 2k7k s GLN 41 N 0.27 1.99 -0.15 2.72 0.74 0.78 -1.01 119.66 125.00 2k7k s GLN 41 Ca 0.05 -1.26 -0.01 0.00 0.05 0.00 0.00 55.36 54.20 2k7k s GLN 41 Cb -0.12 -2.14 0.04 0.00 1.10 0.00 0.00 33.01 31.89 2k7k s GLN 41 CO -0.00 0.44 -0.04 1.21 -0.55 0.00 0.00 175.29 176.35 2k7k s ASN 42 N -2.68 2.63 0.70 6.67 3.84 -1.26 -0.69 114.94 124.15 2k7k s ASN 42 Ca 0.23 -0.57 -0.11 0.00 0.21 0.00 0.00 52.86 52.62 2k7k s ASN 42 Cb -0.09 -0.82 0.01 0.00 -0.55 0.00 0.00 41.25 39.80 2k7k s ASN 42 CO 0.14 -0.19 1.06 0.42 -2.79 0.00 0.00 177.10 175.74 2k7k s THR 43 N 1.70 3.96 0.12 -5.21 -4.23 -0.19 -4.95 115.64 106.84 2k7k s THR 43 Ca 0.01 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 2k7k s THR 43 Cb -0.15 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.32 2k7k s THR 43 CO -0.07 -0.83 1.58 -0.78 -0.54 0.00 0.00 174.62 173.97 2k7k h ASP 44 N -0.73 0.00 -0.61 3.99 3.58 -2.01 -3.16 116.42 117.48 2k7k h ASP 44 Ca -0.44 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.06 2k7k h ASP 44 Cb 1.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2k7k h ASP 44 CO 0.58 0.55 0.41 -0.09 -2.88 0.00 0.00 179.24 177.80 2k7k h ARG 45 N 0.00 0.63 0.00 0.28 2.43 -2.06 -3.46 114.38 112.21 2k7k h ARG 45 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k7k h ARG 45 Cb 1.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2k7k h ARG 45 CO 0.07 0.42 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 2k7k n GLY 46 N -1.47 1.24 3.78 2.80 0.00 -1.19 -5.13 105.19 105.22 2k7k n GLY 46 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.28 4.24 -0.47 2.61 -4.23 -1.26 -4.49 115.64 111.76 2k7k s THR 47 Ca 0.00 1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 62.21 2k7k s THR 47 Cb 0.00 -4.03 0.12 0.00 1.34 0.00 0.00 72.50 69.93 2k7k s THR 47 CO 0.00 0.20 0.35 -0.69 -0.54 0.00 0.00 174.62 173.93 2k7k s VAL 48 N -1.55 4.21 -0.50 2.29 1.01 -1.06 -1.03 120.40 123.77 2k7k s VAL 48 Ca 0.48 -1.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 2k7k s VAL 48 Cb -0.19 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2k7k s VAL 48 CO 0.24 -0.77 1.16 -1.10 0.00 0.00 0.00 175.10 174.63 2k7k s GLN 49 N 1.36 3.67 -0.11 2.72 -0.21 0.13 -3.54 119.66 123.68 2k7k s GLN 49 Ca 0.06 0.49 -0.07 0.00 0.02 0.00 0.00 55.36 55.86 2k7k s GLN 49 Cb -0.26 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.77 2k7k s GLN 49 CO -0.01 -1.47 0.14 0.20 -2.12 0.00 0.00 175.29 172.03 2k7k s GLY 50 N 2.62 2.15 0.00 3.09 0.00 -1.17 -0.15 107.32 113.86 2k7k s GLY 50 Ca 0.47 -0.65 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 2k7k s GLY 50 CO 0.30 -0.40 0.10 1.62 0.00 0.00 0.00 173.10 174.73 2k7k s GLN 51 N -1.07 3.13 -0.17 2.90 0.74 -0.02 -0.95 119.66 124.22 2k7k s GLN 51 Ca 0.15 -0.47 -0.15 0.00 0.05 0.00 0.00 55.36 54.94 2k7k s GLN 51 Cb -0.12 -2.90 0.05 0.00 1.10 0.00 0.00 33.01 31.14 2k7k s GLN 51 CO 0.05 0.64 0.46 -1.17 -0.55 0.00 0.00 175.29 174.72 2k7k s LEU 52 N -1.86 0.18 0.01 3.68 2.96 -1.06 -3.71 118.68 118.88 2k7k s LEU 52 Ca 0.25 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 55.15 2k7k s LEU 52 Cb -0.12 1.56 -0.02 0.00 0.50 0.00 0.00 46.19 48.11 2k7k s LEU 52 CO 0.16 -0.16 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.72 2k7k s GLN 53 N 0.42 1.51 0.00 1.98 1.11 -1.18 -2.60 119.66 120.89 2k7k s GLN 53 Ca -0.01 -0.81 0.00 0.00 0.01 0.00 0.00 55.36 54.55 2k7k s GLN 53 Cb -0.04 -1.52 0.00 0.00 -1.01 0.00 0.00 33.01 30.44 2k7k s GLN 53 CO -0.02 0.41 0.00 0.41 0.01 0.00 0.00 175.29 176.10 2k7k n GLY 54 N 2.27 -0.62 3.77 3.09 0.00 -0.15 -4.37 105.19 109.18 2k7k n GLY 54 Ca -0.16 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 3.24 0.44 1.61 0.04 -1.26 -0.19 135.00 136.91 2k7k s PRO 55 Ca 0.00 1.57 0.17 0.00 0.04 0.00 0.00 61.00 62.78 2k7k s PRO 55 Cb 0.00 -1.99 1.09 0.00 0.04 0.00 0.00 34.50 33.64 2k7k s PRO 55 CO 0.00 -0.93 1.92 0.97 0.04 0.00 0.00 177.00 179.00 2k7k h ILE 56 N 0.96 0.78 0.00 0.56 2.10 -1.87 0.34 117.51 120.38 2k7k h ILE 56 Ca -0.49 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.30 2k7k h ILE 56 Cb 1.26 0.37 -0.00 0.00 -1.09 0.00 0.00 36.82 37.35 2k7k h ILE 56 CO 0.56 0.07 -0.10 -1.28 -1.08 0.00 0.00 178.15 176.32 2k7k h SER 57 N 0.37 0.00 0.05 2.19 0.87 -1.91 -0.97 113.55 114.15 2k7k h SER 57 Ca 0.37 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.71 2k7k h SER 57 Cb 0.90 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 2k7k h SER 57 CO -0.11 0.10 -2.18 0.29 -0.53 0.00 0.00 176.83 174.40 2k7k n LYS 58 N -3.94 0.67 0.14 2.24 5.02 0.80 -4.26 118.16 118.83 2k7k n LYS 58 Ca -0.02 -0.06 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2k7k n LYS 58 Cb 0.19 -1.54 0.18 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.36 0.00 -0.18 2.07 -0.12 -2.91 116.25 116.48 2k7k h VAL 59 Ca -0.33 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 2k7k h VAL 59 Cb 1.76 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2k7k h VAL 59 CO 0.02 0.58 -0.38 -0.09 0.02 0.00 0.00 177.57 177.72 2k7k h ARG 60 N 0.00 0.00 0.10 1.57 9.65 -1.37 -2.74 114.38 121.59 2k7k h ARG 60 Ca -0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2k7k h ARG 60 Cb 1.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2k7k h ARG 60 CO 0.08 0.38 -0.05 1.25 2.80 0.00 0.00 179.97 184.43 2k7k h HIS 61 N 0.00 -0.12 -0.34 2.20 2.76 -1.70 -3.04 115.15 114.91 2k7k h HIS 61 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 2k7k h HIS 61 Cb 0.88 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.81 2k7k h HIS 61 CO 0.00 0.30 -0.14 0.52 -1.30 0.00 0.00 177.93 177.31 2k7k h MET 62 N -0.96 -0.07 -0.24 5.26 2.86 -1.58 0.13 114.93 120.33 2k7k h MET 62 Ca -0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2k7k h MET 62 Cb 0.47 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2k7k h MET 62 CO 0.02 -0.05 0.20 -0.56 1.06 0.00 0.00 176.91 177.58 2k7k h GLN 63 N -0.08 0.00 -0.83 1.72 3.07 -1.62 0.12 115.11 117.50 2k7k h GLN 63 Ca 0.17 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.57 2k7k h GLN 63 Cb 0.34 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.69 2k7k h GLN 63 CO -0.39 0.00 0.42 0.39 0.09 0.00 0.00 178.83 179.34 2k7k n GLU 64 N -4.24 3.07 0.00 0.06 -0.58 0.37 -3.84 120.64 115.48 2k7k n GLU 64 Ca 0.03 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.70 2k7k n GLU 64 Cb 0.34 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2k7k n TRP 65 N -0.60 0.00 0.10 -0.32 -0.00 0.35 -4.70 117.44 112.28 2k7k n TRP 65 Ca 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.97 2k7k n TRP 65 Cb 1.50 0.02 -0.04 0.00 -0.00 0.00 0.00 31.31 32.79 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 -0.64 5.87 -0.00 -1.53 0.23 115.31 119.24 2k7k h LEU 66 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2k7k h LEU 66 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2k7k h LEU 66 CO 0.00 0.70 -0.50 1.05 -0.00 0.00 0.00 178.44 179.69 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.80 -3.38 114.58 114.64 2k7k h GLU 67 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2k7k h GLU 67 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2k7k h GLU 67 CO 0.09 0.50 -0.96 0.25 0.07 0.00 0.00 179.01 178.97 2k7k n THR 68 N -3.51 1.43 -1.65 -1.06 -2.24 -1.22 -4.94 114.28 101.09 2k7k n THR 68 Ca 0.00 0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 2k7k n THR 68 Cb 0.61 -2.16 0.09 0.00 -2.10 0.00 0.00 70.33 66.77 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 -4.24 -0.43 0.00 -0.78 1.74 0.82 -5.06 116.66 108.71 2k7k n ARG 69 Ca -0.15 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 2k7k n ARG 69 Cb 0.46 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k7k n GLY 70 N 0.96 2.83 3.61 -0.13 0.00 -1.26 -4.50 105.19 106.70 2k7k n GLY 70 Ca 0.08 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.25 -0.01 1.61 3.41 -1.26 -4.93 113.62 112.18 2k7k n SER 71 Ca 0.00 0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.89 2k7k n SER 71 Cb 0.00 -1.41 0.09 0.00 -0.26 0.00 0.00 64.21 62.63 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7k h PRO 72 N -1.89 0.59 -0.90 4.33 0.13 -2.01 -2.98 132.00 129.28 2k7k h PRO 72 Ca -0.44 -0.31 -0.29 0.00 -0.87 0.00 0.00 66.00 64.09 2k7k h PRO 72 Cb 1.28 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 2k7k h PRO 72 CO 0.40 0.91 0.36 1.17 -0.23 0.00 0.00 178.00 180.61 2k7k n LYS 73 N -4.02 2.65 -3.40 0.86 4.81 -1.26 -4.57 118.16 113.23 2k7k n LYS 73 Ca -0.02 -2.43 -0.26 0.00 -0.87 0.00 0.00 58.31 54.73 2k7k n LYS 73 Cb 0.53 -1.99 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2k7k n SER 74 N -0.41 1.81 -4.73 3.14 3.41 -1.13 -4.53 113.62 111.18 2k7k n SER 74 Ca 0.40 -3.00 -0.36 0.00 -0.26 0.00 0.00 58.87 55.64 2k7k n SER 74 Cb 1.31 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 64.67 2k7k n SER 74 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2k7k s HIS 75 N -1.54 2.06 -0.87 7.33 3.76 -1.26 -4.63 115.29 120.14 2k7k s HIS 75 Ca 0.35 1.51 -0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2k7k s HIS 75 Cb 0.12 -3.66 0.23 0.00 1.11 0.00 0.00 32.58 30.38 2k7k s HIS 75 CO -0.09 -2.89 0.85 -0.89 -0.85 0.00 0.00 174.74 170.86 2k7k n ILE 76 N -2.07 3.10 -0.08 0.60 5.41 -1.26 -3.92 119.36 121.14 2k7k n ILE 76 Ca 0.15 -5.22 -0.00 0.00 1.00 0.00 0.00 62.75 58.68 2k7k n ILE 76 Cb 0.48 -2.28 0.28 0.00 -0.71 0.00 0.00 39.64 37.41 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 5.56 0.64 -0.93 4.38 3.58 -1.01 -3.41 116.42 125.23 2k7k h ASP 77 Ca 0.17 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.61 2k7k h ASP 77 Cb 0.75 -0.17 -0.21 0.00 1.72 0.00 0.00 39.33 41.43 2k7k h ASP 77 CO 0.90 0.60 -0.29 -0.75 -2.88 0.00 0.00 179.24 176.82 2k7k s LYS 78 N -5.28 0.52 -0.54 0.28 2.47 -1.24 -4.95 119.74 111.00 2k7k s LYS 78 Ca -0.09 0.70 -0.13 0.00 -1.56 0.00 0.00 55.97 54.89 2k7k s LYS 78 Cb 0.16 0.36 0.14 0.00 -1.46 0.00 0.00 37.83 37.02 2k7k s LYS 78 CO 0.77 -0.80 0.47 0.00 0.16 0.00 0.00 175.35 175.95 2k7k s ALA 79 N 2.85 3.60 0.47 3.13 0.00 -1.26 -2.98 121.76 127.58 2k7k s ALA 79 Ca 0.15 -2.63 0.05 0.00 0.00 0.00 0.00 51.96 49.52 2k7k s ALA 79 Cb -0.12 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2k7k s ALA 79 CO -0.23 -2.01 0.11 1.21 0.00 0.00 0.00 175.76 174.84 2k7k s ASN 80 N 3.07 4.23 0.40 0.00 3.04 -0.88 -4.97 114.94 119.82 2k7k s ASN 80 Ca 0.06 -1.39 0.00 0.00 0.04 0.00 0.00 52.86 51.57 2k7k s ASN 80 Cb -0.27 0.08 -0.00 0.00 -1.54 0.00 0.00 41.25 39.52 2k7k s ASN 80 CO 0.00 -0.74 0.01 2.22 -3.04 0.00 0.00 177.10 175.56 2k7k n PHE 81 N -1.28 0.85 -4.34 0.43 1.16 -1.26 -1.99 117.46 111.03 2k7k n PHE 81 Ca -0.09 -1.99 -0.29 0.00 -1.87 0.00 0.00 57.45 53.20 2k7k n PHE 81 Cb 0.66 -0.24 -0.05 0.00 -1.61 0.00 0.00 39.48 38.24 2k7k n PHE 81 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2k7k s ASN 82 N -3.19 4.36 -0.95 5.98 3.84 -0.98 -4.86 114.94 119.14 2k7k s ASN 82 Ca 0.02 -1.44 -0.24 0.00 0.21 0.00 0.00 52.86 51.41 2k7k s ASN 82 Cb 0.00 0.39 -0.05 0.00 -0.55 0.00 0.00 41.25 41.04 2k7k s ASN 82 CO 0.01 -0.93 1.93 0.21 -2.79 0.00 0.00 177.10 175.53 2k7k s ASN 83 N -4.05 5.17 1.18 -4.21 2.47 -1.26 -4.67 114.94 109.57 2k7k s ASN 83 Ca 0.21 -0.84 -0.17 0.00 0.42 0.00 0.00 52.86 52.47 2k7k s ASN 83 Cb 0.00 -2.56 0.21 0.00 -1.45 0.00 0.00 41.25 37.45 2k7k s ASN 83 CO 0.12 -2.76 0.45 -1.84 -3.72 0.00 0.00 177.10 169.36 2k7k n GLU 84 N 8.77 -2.43 -3.63 0.43 0.28 -1.26 -4.91 120.64 117.90 2k7k n GLU 84 Ca 0.41 -0.70 -0.11 0.00 -0.16 0.00 0.00 57.16 56.60 2k7k n GLU 84 Cb 0.47 -1.84 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 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 -3.92 0.63 0.06 3.44 -2.85 -0.26 -5.00 119.74 111.84 2k7k s LYS 85 Ca 0.59 0.70 -0.23 0.00 -1.00 0.00 0.00 55.97 56.03 2k7k s LYS 85 Cb -0.16 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 35.86 2k7k s LYS 85 CO 0.61 -0.09 0.69 0.54 0.10 0.00 0.00 175.35 177.21 2k7k s VAL 86 N 0.18 4.71 0.38 1.79 0.11 -1.26 -0.95 120.40 125.36 2k7k s VAL 86 Ca 0.02 1.47 0.04 0.00 -2.93 0.00 0.00 61.98 60.58 2k7k s VAL 86 Cb -0.05 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2k7k s VAL 86 CO -0.03 0.44 0.16 0.27 -3.33 0.00 0.00 175.10 172.61 2k7k s ILE 87 N -0.48 0.44 -0.01 7.04 -0.00 -1.08 -4.97 121.20 122.14 2k7k s ILE 87 Ca 0.34 -2.00 -0.22 0.00 -0.00 0.00 0.00 60.65 58.77 2k7k s ILE 87 Cb -0.20 -2.39 -0.14 0.00 -0.00 0.00 0.00 42.46 39.73 2k7k s ILE 87 CO 0.21 0.00 0.96 -0.07 -0.00 0.00 0.00 174.94 176.05 2k7k h LEU 88 N 1.89 -0.48 0.00 0.37 -0.00 -1.98 -3.43 115.31 111.69 2k7k h LEU 88 Ca -0.33 -0.09 -0.21 0.00 -0.00 0.00 0.00 57.88 57.24 2k7k h LEU 88 Cb 1.26 0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.99 2k7k h LEU 88 CO 0.52 -0.06 -0.13 2.29 -0.00 0.00 0.00 178.44 181.06 2k7k n LYS 89 N -5.17 0.47 -1.61 1.13 0.00 -1.26 -4.79 118.16 106.92 2k7k n LYS 89 Ca -0.09 -2.01 -0.44 0.00 -0.00 0.00 0.00 58.31 55.77 2k7k n LYS 89 Cb 0.28 1.90 -0.03 0.00 -0.00 0.00 0.00 35.03 37.17 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k7k n LEU 90 N 0.00 3.48 0.25 -5.58 4.77 -1.26 -4.83 117.00 113.83 2k7k n LEU 90 Ca 0.01 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2k7k n LEU 90 Cb 0.41 -1.51 0.68 0.00 -2.33 0.00 0.00 43.42 40.67 2k7k n LEU 90 CO 0.21 -0.36 0.96 0.44 -1.33 0.00 0.00 177.39 177.31 2k7k h ASP 91 N 12.96 0.00 -3.34 -1.43 3.32 -1.99 -3.42 116.42 122.52 2k7k h ASP 91 Ca -0.43 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.97 2k7k h ASP 91 Cb 1.25 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.67 2k7k h ASP 91 CO 0.96 0.13 -0.69 -0.31 -1.72 0.00 0.00 179.24 177.61 2k7k s TYR 92 N -4.33 2.86 -0.13 4.55 2.02 -1.26 -5.03 117.35 116.03 2k7k s TYR 92 Ca -0.03 -0.10 0.15 0.00 -0.37 0.00 0.00 57.07 56.72 2k7k s TYR 92 Cb 0.14 -1.46 0.35 0.00 -0.40 0.00 0.00 41.96 40.58 2k7k s TYR 92 CO 0.61 0.47 1.17 0.43 -1.57 0.00 0.00 175.55 176.66 2k7k n SER 93 N 0.48 1.56 -3.59 2.29 7.64 -1.26 -4.84 113.62 115.90 2k7k n SER 93 Ca -0.12 -3.15 -0.11 0.00 1.01 0.00 0.00 58.87 56.50 2k7k n SER 93 Cb 0.53 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.69 -0.43 -0.09 6.43 1.01 -1.26 -5.07 116.67 114.57 2k7k s ASP 94 Ca 0.32 0.57 0.01 0.00 0.71 0.00 0.00 52.55 54.16 2k7k s ASP 94 Cb 0.31 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.71 2k7k s ASP 94 CO -0.06 -0.33 -0.12 0.72 0.21 0.00 0.00 175.17 175.59 2k7k s PHE 95 N -0.78 2.79 -0.05 4.23 -0.12 -1.26 -3.35 117.98 119.45 2k7k s PHE 95 Ca -0.02 -0.35 -0.24 0.00 -0.05 0.00 0.00 56.93 56.27 2k7k s PHE 95 Cb -0.02 -1.75 0.05 0.00 -0.63 0.00 0.00 43.02 40.68 2k7k s PHE 95 CO 0.01 0.02 0.53 -0.65 -0.05 0.00 0.00 175.22 175.08 2k7k s GLN 96 N -0.21 0.89 -0.17 1.99 -0.21 -1.05 -4.96 119.66 115.94 2k7k s GLN 96 Ca 0.01 0.12 -0.19 0.00 0.02 0.00 0.00 55.36 55.31 2k7k s GLN 96 Cb -0.13 0.41 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 2k7k s GLN 96 CO 0.03 -0.26 0.55 0.42 -2.12 0.00 0.00 175.29 173.91 2k7k s ILE 97 N -1.16 5.10 -0.15 1.08 1.01 -1.26 -3.42 121.20 122.39 2k7k s ILE 97 Ca -0.11 1.05 -0.06 0.00 0.00 0.00 0.00 60.65 61.53 2k7k s ILE 97 Cb -0.02 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2k7k s ILE 97 CO 0.07 0.20 0.04 -0.69 0.00 0.00 0.00 174.94 174.56 2k7k s VAL 98 N 1.43 4.57 -2.01 2.92 1.01 -0.18 -4.91 120.40 123.24 2k7k s VAL 98 Ca 0.27 -0.12 0.32 0.00 0.00 0.00 0.00 61.98 62.45 2k7k s VAL 98 Cb -0.16 -3.02 0.90 0.00 0.00 0.00 0.00 36.38 34.11 2k7k s VAL 98 CO 0.11 0.51 2.22 0.29 0.00 0.00 0.00 175.10 178.22