#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j n ALA 2 N 0.00 6.65 -3.51 4.61 0.00 -1.26 -4.82 120.51 122.18 2k7j n ALA 2 Ca 0.00 -3.75 -0.16 0.00 0.00 0.00 0.00 53.44 49.53 2k7j n ALA 2 Cb 0.00 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 16.81 2k7j n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k7j s GLU 3 N -1.55 0.20 -0.07 0.00 0.41 -1.26 -5.15 118.70 111.28 2k7j s GLU 3 Ca 0.55 0.36 0.02 0.00 -0.41 0.00 0.00 54.97 55.49 2k7j s GLU 3 Cb 0.26 -0.86 -0.03 0.00 -1.78 0.00 0.00 34.13 31.72 2k7j s GLU 3 CO -0.15 -0.57 -0.11 0.20 -0.49 0.00 0.00 175.26 174.14 2k7j s GLY 4 N 2.37 1.61 -0.54 -1.39 0.00 -1.26 -5.02 107.32 103.09 2k7j s GLY 4 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.88 2k7j s GLY 4 CO -0.12 -0.62 1.59 0.70 0.00 0.00 0.00 173.10 174.66 2k7j n ASN 5 N 2.49 6.24 -4.27 1.64 5.03 -1.26 -4.81 115.26 120.32 2k7j n ASN 5 Ca -0.18 -3.77 -0.44 0.00 0.87 0.00 0.00 54.58 51.06 2k7j n ASN 5 Cb 0.53 -0.69 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2k7j s THR 6 N -4.93 4.94 -0.16 3.41 2.01 -1.26 -5.05 115.64 114.60 2k7j s THR 6 Ca 0.55 -1.90 -0.17 0.00 0.31 0.00 0.00 61.69 60.48 2k7j s THR 6 Cb 0.45 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2k7j s THR 6 CO -0.10 -0.88 0.46 -0.76 -0.69 0.00 0.00 174.62 172.65 2k7j s LEU 7 N 1.09 4.21 0.15 4.42 1.43 -1.25 -0.49 118.68 128.24 2k7j s LEU 7 Ca 0.08 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2k7j s LEU 7 Cb -0.24 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2k7j s LEU 7 CO -0.01 -0.06 0.00 0.27 0.23 0.00 0.00 176.35 176.78 2k7j s ILE 8 N 1.07 0.52 -0.09 -0.59 -4.36 -0.34 -0.12 121.20 117.28 2k7j s ILE 8 Ca 0.23 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 2k7j s ILE 8 Cb -0.15 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.56 2k7j s ILE 8 CO 0.09 -0.55 -0.08 -0.94 0.24 0.00 0.00 174.94 173.70 2k7j s SER 9 N -3.12 1.89 -0.04 4.36 1.04 -0.30 -2.06 113.70 115.48 2k7j s SER 9 Ca 0.22 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2k7j s SER 9 Cb 0.06 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.46 2k7j s SER 9 CO 0.02 -0.08 0.08 0.54 0.98 0.00 0.00 173.24 174.77 2k7j s VAL 10 N 1.37 -0.08 0.06 5.02 0.11 -1.26 -0.29 120.40 125.33 2k7j s VAL 10 Ca -0.02 0.25 0.09 0.00 -2.93 0.00 0.00 61.98 59.37 2k7j s VAL 10 Cb -0.14 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2k7j s VAL 10 CO -0.04 0.10 -0.26 -0.62 -3.33 0.00 0.00 175.10 170.95 2k7j s ASP 11 N 1.34 3.11 0.28 3.54 2.15 -1.26 -1.76 116.67 124.07 2k7j s ASP 11 Ca -0.06 -0.61 -0.18 0.00 0.43 0.00 0.00 52.55 52.13 2k7j s ASP 11 Cb -0.12 -0.27 0.01 0.00 -0.30 0.00 0.00 42.92 42.24 2k7j s ASP 11 CO -0.04 0.24 0.65 -0.72 -0.17 0.00 0.00 175.17 175.13 2k7j s TYR 12 N -0.84 0.01 -0.51 -5.34 -0.85 -0.84 -3.71 117.35 105.27 2k7j s TYR 12 Ca 0.12 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.25 2k7j s TYR 12 Cb -0.10 0.55 0.13 0.00 0.38 0.00 0.00 41.96 42.93 2k7j s TYR 12 CO 0.03 -1.19 0.26 -1.83 -1.52 0.00 0.00 175.55 171.30 2k7j s GLU 13 N -3.83 1.87 0.43 -3.49 -1.05 -1.26 -0.12 118.70 111.26 2k7j s GLU 13 Ca 0.15 -2.54 -0.23 0.00 -0.15 0.00 0.00 54.97 52.19 2k7j s GLU 13 Cb -0.04 -3.15 -0.11 0.00 -0.44 0.00 0.00 34.13 30.39 2k7j s GLU 13 CO 0.08 -1.12 0.89 -0.89 0.95 0.00 0.00 175.26 175.16 2k7j n ILE 14 N 3.15 2.37 -2.31 1.83 2.08 -1.16 -4.53 119.36 120.78 2k7j n ILE 14 Ca 0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.87 2k7j n ILE 14 Cb 0.33 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 2k7j n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2k7j n PHE 15 N -0.68 -3.33 0.00 1.39 3.72 -1.14 -1.93 117.46 115.48 2k7j n PHE 15 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k7j n PHE 15 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2k7j n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k7j n GLY 16 N 5.00 -0.54 2.26 1.37 0.00 -1.25 -4.58 105.19 107.44 2k7j n GLY 16 Ca 0.00 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 2k7j n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k7j n LYS 17 N 0.00 2.23 -1.39 1.61 2.85 -0.80 -4.68 118.16 117.98 2k7j n LYS 17 Ca 0.00 -2.28 -0.27 0.00 -1.05 0.00 0.00 58.31 54.72 2k7j n LYS 17 Cb 0.00 -1.96 -0.08 0.00 -0.65 0.00 0.00 35.03 32.34 2k7j n LYS 17 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2k7j n VAL 18 N 0.26 3.74 0.00 0.58 0.24 -1.26 -4.42 118.33 117.46 2k7j n VAL 18 Ca 0.44 -2.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.05 2k7j n VAL 18 Cb 0.55 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 2k7j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7j n GLN 19 N 2.01 0.00 -3.29 7.34 6.02 -1.26 -4.41 117.38 123.78 2k7j n GLN 19 Ca 0.55 0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 57.18 2k7j n GLN 19 Cb 0.56 -0.41 -0.01 0.00 1.02 0.00 0.00 30.24 31.40 2k7j n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7j n GLY 20 N 2.00 4.46 2.31 1.08 0.00 -1.26 -4.98 105.19 108.81 2k7j n GLY 20 Ca 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 46.02 43.31 2k7j n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7j n VAL 21 N 2.23 0.00 -1.42 1.61 0.24 -1.26 -4.98 118.33 114.75 2k7j n VAL 21 Ca 0.24 -1.11 -0.34 0.00 -2.04 0.00 0.00 64.34 61.09 2k7j n VAL 21 Cb 0.37 0.73 0.07 0.00 -1.47 0.00 0.00 33.84 33.54 2k7j n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2k7j n PHE 22 N -0.39 3.18 0.28 6.34 3.72 -1.26 -4.64 117.46 124.70 2k7j n PHE 22 Ca -0.01 -2.94 0.18 0.00 -0.05 0.00 0.00 57.45 54.63 2k7j n PHE 22 Cb 0.40 -1.33 0.96 0.00 -0.94 0.00 0.00 39.48 38.56 2k7j n PHE 22 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2k7j h PHE 23 N 2.04 0.00 -0.57 1.38 3.04 -1.96 0.12 116.94 120.99 2k7j h PHE 23 Ca 0.58 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.38 2k7j h PHE 23 Cb 0.87 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.29 2k7j h PHE 23 CO 1.37 0.00 0.19 2.89 -2.02 0.00 0.00 178.31 180.74 2k7j n ARG 24 N -3.54 3.24 0.00 1.11 1.85 -1.26 -3.39 116.66 114.67 2k7j n ARG 24 Ca -0.01 -2.39 0.00 0.00 -1.00 0.00 0.00 57.85 54.45 2k7j n ARG 24 Cb 0.19 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.58 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2k7j n LYS 25 N 0.01 1.90 0.02 2.89 4.81 0.40 -4.61 118.16 123.57 2k7j n LYS 25 Ca 0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2k7j n LYS 25 Cb 1.14 -0.95 -0.10 0.00 0.02 0.00 0.00 35.03 35.15 2k7j n LYS 25 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2k7j n HIS 26 N -2.11 0.83 0.02 5.64 -0.00 -1.19 -4.12 115.22 114.30 2k7j n HIS 26 Ca 0.00 0.28 -0.08 0.00 0.46 0.00 0.00 57.72 58.37 2k7j n HIS 26 Cb 0.45 -1.05 0.07 0.00 -0.12 0.00 0.00 29.99 29.35 2k7j n HIS 26 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k7j h THR 27 N 0.00 1.33 -0.40 3.57 1.03 -1.84 -2.33 112.91 114.27 2k7j h THR 27 Ca -0.19 -1.81 -0.03 0.00 -0.01 0.00 0.00 66.41 64.37 2k7j h THR 27 Cb 1.62 1.80 -0.02 0.00 -1.07 0.00 0.00 68.15 70.48 2k7j h THR 27 CO 0.04 0.56 0.14 0.06 -0.01 0.00 0.00 175.52 176.31 2k7j h GLN 28 N 0.38 0.57 0.12 0.00 3.07 -1.82 -2.56 115.11 114.87 2k7j h GLN 28 Ca 0.01 -0.08 -0.28 0.00 0.09 0.00 0.00 58.65 58.39 2k7j h GLN 28 Cb 1.08 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 28.55 2k7j h GLN 28 CO 0.10 0.49 -1.21 0.00 0.09 0.00 0.00 178.83 178.30 2k7j h ALA 29 N 1.59 0.11 -0.77 0.06 0.00 -1.69 -3.25 119.26 115.31 2k7j h ALA 29 Ca 0.14 -0.82 0.08 0.00 0.00 0.00 0.00 54.91 54.30 2k7j h ALA 29 Cb 0.15 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2k7j h ALA 29 CO -0.01 0.85 0.44 0.93 0.00 0.00 0.00 179.25 181.46 2k7j h GLU 30 N 0.16 0.75 -0.08 0.00 4.39 -1.03 0.13 114.58 118.91 2k7j h GLU 30 Ca -0.15 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 2k7j h GLU 30 Cb 1.90 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 2k7j h GLU 30 CO 0.21 0.50 -0.28 0.78 -1.16 0.00 0.00 179.01 179.06 2k7j h GLY 31 N 0.78 0.15 2.00 -3.84 0.00 -1.56 -2.72 103.07 97.88 2k7j h GLY 31 Ca 0.36 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.39 2k7j h GLY 31 CO -0.21 0.10 -0.86 0.50 0.00 0.00 0.00 176.54 176.07 2k7j h LYS 32 N 0.13 0.00 0.00 4.80 1.79 -1.26 0.27 116.57 122.30 2k7j h LYS 32 Ca 0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2k7j h LYS 32 Cb 0.57 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2k7j h LYS 32 CO 0.04 0.86 -0.16 0.87 -1.08 0.00 0.00 179.45 179.99 2k7j h LYS 33 N 0.00 0.00 0.00 3.15 1.57 -0.47 -3.34 116.57 117.48 2k7j h LYS 33 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2k7j h LYS 33 Cb 1.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 2k7j h LYS 33 CO 0.11 0.16 -1.03 1.28 -0.57 0.00 0.00 179.45 179.40 2k7j n LEU 34 N -3.83 1.39 0.00 2.94 4.77 -1.17 -5.09 117.00 116.01 2k7j n LEU 34 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2k7j n LEU 34 Cb 0.26 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2k7j n LEU 34 CO 0.32 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2k7j n GLY 35 N 2.26 0.10 3.09 -0.72 0.00 0.76 -5.08 105.19 105.60 2k7j n GLY 35 Ca -0.16 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2k7j n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7j s LEU 36 N 0.00 2.20 0.00 0.99 1.43 -0.13 -4.70 118.68 118.47 2k7j s LEU 36 Ca 0.00 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2k7j s LEU 36 Cb 0.00 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.90 2k7j s LEU 36 CO 0.00 -0.08 0.36 1.33 0.23 0.00 0.00 176.35 178.19 2k7j n VAL 37 N 1.76 0.00 0.00 -1.59 0.24 0.85 -4.06 118.33 115.53 2k7j n VAL 37 Ca -0.20 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.36 2k7j n VAL 37 Cb 0.55 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 2k7j n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7j n GLY 38 N -0.37 0.53 3.58 7.63 0.00 -1.26 -1.13 105.19 114.17 2k7j n GLY 38 Ca -0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 2k7j n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7j s TRP 39 N 0.00 -0.23 0.03 1.61 -2.14 -1.26 -3.98 118.94 112.97 2k7j s TRP 39 Ca 0.00 0.27 0.03 0.00 2.66 0.00 0.00 56.10 59.06 2k7j s TRP 39 Cb 0.00 0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 30.85 2k7j s TRP 39 CO 0.00 -0.28 -0.09 0.54 -2.66 0.00 0.00 176.95 174.45 2k7j s VAL 40 N -1.93 0.70 -0.21 -0.66 0.11 -1.23 -2.46 120.40 114.71 2k7j s VAL 40 Ca 0.05 -0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 2k7j s VAL 40 Cb -0.01 -0.68 0.14 0.00 -1.53 0.00 0.00 36.38 34.31 2k7j s VAL 40 CO -0.04 -0.13 1.10 -1.58 -3.33 0.00 0.00 175.10 171.12 2k7j s GLN 41 N -1.07 0.44 -0.08 1.54 0.74 -1.20 -1.98 119.66 118.05 2k7j s GLN 41 Ca -0.03 0.17 -0.03 0.00 0.05 0.00 0.00 55.36 55.52 2k7j s GLN 41 Cb -0.07 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 2k7j s GLN 41 CO 0.01 -0.12 0.06 -0.80 -0.55 0.00 0.00 175.29 173.88 2k7j s ASN 42 N -0.85 5.69 0.64 6.67 -0.87 -1.26 -0.53 114.94 124.43 2k7j s ASN 42 Ca 0.02 0.25 -0.02 0.00 -1.57 0.00 0.00 52.86 51.54 2k7j s ASN 42 Cb -0.01 -1.70 0.07 0.00 -0.02 0.00 0.00 41.25 39.59 2k7j s ASN 42 CO -0.02 0.37 0.47 0.35 -2.57 0.00 0.00 177.10 175.70 2k7j n THR 43 N 1.93 0.00 0.02 1.60 -2.24 0.59 -4.95 114.28 111.23 2k7j n THR 43 Ca -0.18 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 60.95 2k7j n THR 43 Cb 0.54 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 2k7j n THR 43 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k7j n ASP 44 N -3.05 0.77 -0.02 3.42 8.00 -1.26 -4.25 116.55 120.17 2k7j n ASP 44 Ca 0.07 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.79 2k7j n ASP 44 Cb 0.26 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 2k7j n ASP 44 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2k7j h ARG 45 N 0.00 0.12 0.00 -1.24 9.65 -1.99 -3.47 114.38 117.45 2k7j h ARG 45 Ca -0.19 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2k7j h ARG 45 Cb 1.65 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.21 2k7j h ARG 45 CO 0.05 0.39 0.00 0.41 2.80 0.00 0.00 179.97 183.61 2k7j n GLY 46 N -0.28 0.00 3.15 2.80 0.00 -1.26 -5.03 105.19 104.56 2k7j n GLY 46 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2k7j n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7j s THR 47 N 0.00 0.16 -0.43 2.61 -4.23 -1.26 -3.84 115.64 108.65 2k7j s THR 47 Ca 0.00 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2k7j s THR 47 Cb 0.00 -1.71 0.12 0.00 1.34 0.00 0.00 72.50 72.25 2k7j s THR 47 CO 0.00 -0.71 0.16 -0.69 -0.54 0.00 0.00 174.62 172.84 2k7j s VAL 48 N -3.96 2.51 -0.85 2.29 1.01 -0.81 -0.30 120.40 120.29 2k7j s VAL 48 Ca 0.14 -2.78 -0.25 0.00 0.00 0.00 0.00 61.98 59.09 2k7j s VAL 48 Cb 0.07 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 2k7j s VAL 48 CO -0.05 -0.70 2.12 0.00 0.00 0.00 0.00 175.10 176.47 2k7j s GLN 49 N 0.36 2.19 0.03 2.72 -2.07 0.32 -3.01 119.66 120.21 2k7j s GLN 49 Ca 0.14 0.03 0.08 0.00 -1.82 0.00 0.00 55.36 53.79 2k7j s GLN 49 Cb -0.22 -4.94 -0.03 0.00 -1.09 0.00 0.00 33.01 26.73 2k7j s GLN 49 CO -0.04 -3.77 -0.24 0.20 -1.32 0.00 0.00 175.29 170.12 2k7j s GLY 50 N 9.13 1.44 0.10 2.60 0.00 0.83 -3.24 107.32 118.19 2k7j s GLY 50 Ca 0.79 -1.22 0.09 0.00 0.00 0.00 0.00 44.72 44.37 2k7j s GLY 50 CO 0.03 -1.10 -0.19 1.25 0.00 0.00 0.00 173.10 173.09 2k7j s LYS 51 N -1.20 1.79 -0.68 2.90 2.20 -1.03 -1.99 119.74 121.74 2k7j s LYS 51 Ca 0.12 -1.16 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 2k7j s LYS 51 Cb -0.10 -2.10 0.20 0.00 -1.51 0.00 0.00 37.83 34.32 2k7j s LYS 51 CO 0.02 0.49 0.59 1.28 -0.36 0.00 0.00 175.35 177.37 2k7j n LEU 52 N 0.95 3.25 -4.66 5.43 4.77 -0.72 -4.30 117.00 121.72 2k7j n LEU 52 Ca -0.16 -5.29 -0.43 0.00 -0.03 0.00 0.00 56.01 50.10 2k7j n LEU 52 Cb 0.53 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2k7j n LEU 52 CO 0.27 1.88 0.96 -1.58 -1.33 0.00 0.00 177.39 177.59 2k7j s GLN 53 N -1.85 4.27 0.00 3.23 2.00 -0.28 -4.23 119.66 122.80 2k7j s GLN 53 Ca 0.31 1.46 0.00 0.00 -2.00 0.00 0.00 55.36 55.13 2k7j s GLN 53 Cb 0.04 -3.67 0.00 0.00 0.80 0.00 0.00 33.01 30.18 2k7j s GLN 53 CO -0.11 -0.62 0.00 0.41 -0.50 0.00 0.00 175.29 174.47 2k7j n GLY 54 N 3.39 -1.35 3.77 2.59 0.00 -0.87 -0.10 105.19 112.62 2k7j n GLY 54 Ca 0.12 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 2k7j n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7j s PRO 55 N -1.82 3.69 0.43 1.61 0.04 -1.26 -1.20 135.00 136.48 2k7j s PRO 55 Ca 0.00 1.75 0.14 0.00 0.04 0.00 0.00 61.00 62.93 2k7j s PRO 55 Cb 0.00 -2.34 0.94 0.00 0.04 0.00 0.00 34.50 33.14 2k7j s PRO 55 CO 0.00 -0.60 1.95 0.82 0.04 0.00 0.00 177.00 179.21 2k7j h ILE 56 N 1.76 1.14 -0.56 0.56 2.04 -1.13 -1.40 117.51 119.92 2k7j h ILE 56 Ca -0.49 -0.80 0.16 0.00 1.00 0.00 0.00 64.86 64.72 2k7j h ILE 56 Cb 1.25 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2k7j h ILE 56 CO 0.60 0.23 0.45 -1.28 0.00 0.00 0.00 178.15 178.14 2k7j h SER 57 N 0.00 0.00 0.00 1.72 0.87 -1.87 -1.42 113.55 112.85 2k7j h SER 57 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2k7j h SER 57 Cb 0.42 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 2k7j h SER 57 CO 0.03 0.00 -2.22 0.29 -0.53 0.00 0.00 176.83 174.40 2k7j n LYS 58 N -4.13 0.66 0.04 2.24 4.01 -0.92 -4.41 118.16 115.66 2k7j n LYS 58 Ca 0.10 0.10 0.21 0.00 -0.51 0.00 0.00 58.31 58.22 2k7j n LYS 58 Cb 0.67 -1.43 0.73 0.00 -0.51 0.00 0.00 35.03 34.49 2k7j n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7j h VAL 59 N 0.00 0.55 0.00 -0.18 2.07 -0.75 0.28 116.25 118.22 2k7j h VAL 59 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2k7j h VAL 59 Cb 1.80 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2k7j h VAL 59 CO -0.06 0.00 -0.11 0.03 0.02 0.00 0.00 177.57 177.45 2k7j h ARG 60 N 0.00 0.00 0.01 1.57 2.47 -1.48 -0.62 114.38 116.33 2k7j h ARG 60 Ca 0.23 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.56 2k7j h ARG 60 Cb 1.06 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.31 2k7j h ARG 60 CO -0.00 0.11 -2.42 0.39 0.56 0.00 0.00 179.97 178.61 2k7j n GLU 61 N -4.13 0.65 0.27 0.04 -0.58 0.80 -4.18 120.64 113.51 2k7j n GLU 61 Ca -0.02 0.18 0.11 0.00 -0.42 0.00 0.00 57.16 57.01 2k7j n GLU 61 Cb 0.19 -1.54 0.73 0.00 -0.57 0.00 0.00 31.44 30.26 2k7j n GLU 61 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2k7j h MET 62 N -0.13 0.00 -0.11 3.49 4.05 -1.00 -1.43 114.93 119.80 2k7j h MET 62 Ca -0.58 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 58.68 2k7j h MET 62 Cb 1.87 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.66 2k7j h MET 62 CO -0.11 0.05 -0.62 -0.56 0.23 0.00 0.00 176.91 175.90 2k7j h GLN 63 N 0.00 0.39 0.00 0.39 3.07 -1.30 -3.04 115.11 114.63 2k7j h GLN 63 Ca -0.00 -0.27 -0.11 0.00 0.09 0.00 0.00 58.65 58.36 2k7j h GLN 63 Cb 0.10 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 2k7j h GLN 63 CO 0.01 0.88 -0.53 -0.22 0.09 0.00 0.00 178.83 179.06 2k7j h LYS 64 N 0.29 0.00 0.00 0.06 1.63 -1.46 -2.80 116.57 114.29 2k7j h LYS 64 Ca -0.01 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2k7j h LYS 64 Cb 1.15 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2k7j h LYS 64 CO 0.10 0.53 -0.19 -1.49 -3.45 0.00 0.00 179.45 174.96 2k7j h TRP 65 N 0.00 0.00 -0.27 1.91 4.06 -1.22 -2.87 115.95 117.56 2k7j h TRP 65 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2k7j h TRP 65 Cb 1.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.51 2k7j h TRP 65 CO 0.00 0.19 0.00 1.28 -3.56 0.00 0.00 178.44 176.35 2k7j n LEU 66 N -3.33 3.30 -0.11 -4.49 4.77 -1.16 -1.04 117.00 114.95 2k7j n LEU 66 Ca 0.00 -2.53 -0.22 0.00 -0.03 0.00 0.00 56.01 53.23 2k7j n LEU 66 Cb 0.43 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2k7j n LEU 66 CO 0.33 0.69 -1.16 1.21 -1.33 0.00 0.00 177.39 177.12 2k7j n GLU 67 N -0.12 0.49 0.00 3.23 2.13 -1.06 -4.84 120.64 120.47 2k7j n GLU 67 Ca 0.16 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2k7j n GLU 67 Cb 0.65 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 31.03 2k7j n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2k7j n THR 68 N -4.11 0.00 0.00 6.31 5.66 -1.19 -4.49 114.28 116.46 2k7j n THR 68 Ca -0.39 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2k7j n THR 68 Cb 0.75 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 2k7j n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k7j n ARG 69 N -2.00 0.00 0.00 1.09 5.12 -1.23 -4.71 116.66 114.93 2k7j n ARG 69 Ca 0.00 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 2k7j n ARG 69 Cb 0.38 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7j n GLY 70 N -0.86 0.44 3.95 -0.13 0.00 -0.20 -4.80 105.19 103.59 2k7j n GLY 70 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2k7j n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7j s SER 71 N -4.00 6.17 0.21 1.61 0.01 -1.26 -5.02 113.70 111.41 2k7j s SER 71 Ca 0.00 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.56 2k7j s SER 71 Cb 0.00 -1.84 0.18 0.00 0.21 0.00 0.00 66.02 64.57 2k7j s SER 71 CO 0.00 -0.38 1.57 1.55 0.41 0.00 0.00 173.24 176.39 2k7j h PRO 72 N 0.72 0.59 -0.01 12.44 0.13 -2.00 -3.27 132.00 140.61 2k7j h PRO 72 Ca -0.49 -0.31 -0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2k7j h PRO 72 Cb 1.23 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k7j h PRO 72 CO 0.60 0.91 -0.01 0.93 -0.23 0.00 0.00 178.00 180.19 2k7j h GLU 73 N 0.48 0.02 -7.21 0.86 3.07 -1.99 -3.45 114.58 106.35 2k7j h GLU 73 Ca 0.04 -0.01 -0.46 0.00 -0.50 0.00 0.00 59.36 58.43 2k7j h GLU 73 Cb 0.94 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.94 2k7j h GLU 73 CO 0.08 0.55 0.15 -1.54 -1.40 0.00 0.00 179.01 176.86 2k7j s SER 74 N -5.77 4.40 0.03 1.42 1.04 -1.23 -5.06 113.70 108.53 2k7j s SER 74 Ca -0.16 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 2k7j s SER 74 Cb 0.01 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 2k7j s SER 74 CO 0.68 -1.83 -0.02 -2.28 0.98 0.00 0.00 173.24 170.77 2k7j s HIS 75 N -3.21 0.34 -0.40 5.02 2.46 -1.26 -4.46 115.29 113.78 2k7j s HIS 75 Ca 0.65 -0.70 0.02 0.00 0.47 0.00 0.00 55.06 55.50 2k7j s HIS 75 Cb -0.07 -0.25 0.12 0.00 -0.13 0.00 0.00 32.58 32.24 2k7j s HIS 75 CO 0.45 -0.26 0.15 0.42 -2.47 0.00 0.00 174.74 173.03 2k7j s ILE 76 N -2.32 1.80 0.14 0.89 1.01 -1.26 -1.90 121.20 119.56 2k7j s ILE 76 Ca -0.08 -2.39 0.21 0.00 0.00 0.00 0.00 60.65 58.39 2k7j s ILE 76 Cb -0.04 -2.30 0.18 0.00 0.01 0.00 0.00 42.46 40.31 2k7j s ILE 76 CO -0.04 -0.73 1.76 -0.78 0.00 0.00 0.00 174.94 175.15 2k7j h ASP 77 N 7.26 0.00 -4.36 3.58 3.58 -1.90 -3.46 116.42 121.12 2k7j h ASP 77 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k7j h ASP 77 Cb 0.97 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.80 2k7j h ASP 77 CO 0.54 0.31 0.33 -1.59 -2.88 0.00 0.00 179.24 175.95 2k7j s LYS 78 N -3.60 0.81 0.25 0.28 -2.85 -1.26 -5.06 119.74 108.31 2k7j s LYS 78 Ca 0.00 0.35 -0.07 0.00 -1.00 0.00 0.00 55.97 55.26 2k7j s LYS 78 Cb 0.10 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2k7j s LYS 78 CO 0.67 -0.22 0.36 0.00 0.10 0.00 0.00 175.35 176.26 2k7j s ALA 79 N -0.80 0.40 -0.00 0.59 0.00 -1.26 -2.90 121.76 117.79 2k7j s ALA 79 Ca -0.05 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 2k7j s ALA 79 Cb -0.01 1.19 0.12 0.00 0.00 0.00 0.00 23.12 24.42 2k7j s ALA 79 CO 0.04 -0.76 1.26 1.21 0.00 0.00 0.00 175.76 177.51 2k7j s ASN 80 N -3.10 -0.07 0.48 0.00 2.47 -1.26 -5.01 114.94 108.45 2k7j s ASN 80 Ca 0.29 -0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.48 2k7j s ASN 80 Cb 0.02 0.19 -0.00 0.00 -1.45 0.00 0.00 41.25 40.01 2k7j s ASN 80 CO 0.12 -0.35 0.33 0.72 -3.72 0.00 0.00 177.10 174.20 2k7j s PHE 81 N -2.50 2.16 0.00 0.43 -0.12 -1.26 -4.59 117.98 112.09 2k7j s PHE 81 Ca 0.14 -0.69 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 2k7j s PHE 81 Cb 0.04 -1.99 0.00 0.00 -0.63 0.00 0.00 43.02 40.45 2k7j s PHE 81 CO -0.03 -0.20 0.00 1.63 -0.05 0.00 0.00 175.22 176.57 2k7j n LYS 82 N -1.56 0.00 -3.52 1.99 4.76 -1.24 -5.01 118.16 113.57 2k7j n LYS 82 Ca -0.01 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2k7j n LYS 82 Cb 0.64 -0.20 -0.05 0.00 -1.84 0.00 0.00 35.03 33.58 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2k7j s ASN 83 N -2.68 -0.70 0.54 4.39 3.84 -1.26 -5.08 114.94 113.98 2k7j s ASN 83 Ca 0.00 1.00 -0.11 0.00 0.21 0.00 0.00 52.86 53.96 2k7j s ASN 83 Cb 0.00 1.69 -0.05 0.00 -0.55 0.00 0.00 41.25 42.33 2k7j s ASN 83 CO 0.00 -0.14 0.94 -1.83 -2.79 0.00 0.00 177.10 173.28 2k7j s GLU 84 N 2.27 3.70 -0.14 0.43 4.04 -1.26 -4.44 118.70 123.30 2k7j s GLU 84 Ca -0.05 0.67 -0.02 0.00 0.04 0.00 0.00 54.97 55.61 2k7j s GLU 84 Cb -0.07 -2.18 0.04 0.00 0.02 0.00 0.00 34.13 31.94 2k7j s GLU 84 CO -0.17 -0.36 0.01 0.21 -1.84 0.00 0.00 175.26 173.10 2k7j s LYS 85 N -4.65 0.77 -0.26 -4.83 2.47 0.60 -4.89 119.74 108.95 2k7j s LYS 85 Ca 0.54 -0.24 -0.29 0.00 -1.56 0.00 0.00 55.97 54.43 2k7j s LYS 85 Cb -0.11 -1.67 -0.03 0.00 -1.46 0.00 0.00 37.83 34.56 2k7j s LYS 85 CO 0.44 -0.48 1.80 0.08 0.16 0.00 0.00 175.35 177.34 2k7j s VAL 86 N 1.86 3.47 0.38 4.02 1.01 -1.26 -1.15 120.40 128.73 2k7j s VAL 86 Ca 0.02 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.54 2k7j s VAL 86 Cb -0.15 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2k7j s VAL 86 CO -0.07 -0.31 0.04 0.27 0.00 0.00 0.00 175.10 175.03 2k7j s ILE 87 N 6.38 1.44 -0.16 2.22 -4.36 0.83 -4.98 121.20 122.56 2k7j s ILE 87 Ca 0.80 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 59.27 2k7j s ILE 87 Cb -0.25 -2.78 -0.15 0.00 1.25 0.00 0.00 42.46 40.52 2k7j s ILE 87 CO 0.33 0.00 -0.05 0.18 0.24 0.00 0.00 174.94 175.64 2k7j n LEU 88 N -0.86 1.41 -4.31 0.37 4.32 -1.26 -3.80 117.00 112.88 2k7j n LEU 88 Ca -0.05 -0.05 -0.17 0.00 -0.02 0.00 0.00 56.01 55.72 2k7j n LEU 88 Cb 0.67 -0.12 -0.10 0.00 -1.62 0.00 0.00 43.42 42.24 2k7j n LEU 88 CO 0.44 0.58 -0.43 -1.59 -1.22 0.00 0.00 177.39 175.17 2k7j s LYS 89 N -2.36 1.23 0.77 3.23 -2.85 -1.26 -4.89 119.74 113.60 2k7j s LYS 89 Ca -0.16 -1.53 -0.08 0.00 -1.00 0.00 0.00 55.97 53.21 2k7j s LYS 89 Cb 0.05 -0.95 0.11 0.00 -2.06 0.00 0.00 37.83 34.98 2k7j s LYS 89 CO 0.52 0.15 1.08 -0.51 0.10 0.00 0.00 175.35 176.69 2k7j s LEU 90 N -3.23 2.83 -0.05 2.77 2.01 -1.26 -5.03 118.68 116.72 2k7j s LEU 90 Ca 0.20 0.24 0.13 0.00 0.01 0.00 0.00 54.13 54.71 2k7j s LEU 90 Cb 0.00 -2.68 -0.20 0.00 0.01 0.00 0.00 46.19 43.32 2k7j s LEU 90 CO 0.05 -1.92 0.23 0.47 1.01 0.00 0.00 176.35 176.19 2k7j n ASP 91 N -3.10 1.82 -4.57 2.29 8.00 -1.26 -5.02 116.55 114.71 2k7j n ASP 91 Ca 0.11 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.35 2k7j n ASP 91 Cb 0.60 1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 42.99 2k7j n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k7j s TYR 92 N -2.77 2.45 -0.13 1.24 1.51 -1.26 -5.05 117.35 113.34 2k7j s TYR 92 Ca -0.05 -0.55 0.19 0.00 -1.01 0.00 0.00 57.07 55.65 2k7j s TYR 92 Cb 0.07 -1.51 -0.21 0.00 -0.11 0.00 0.00 41.96 40.20 2k7j s TYR 92 CO 0.56 0.53 0.55 0.45 -1.11 0.00 0.00 175.55 176.54 2k7j n SER 93 N -0.86 0.41 -3.74 2.29 2.88 -1.26 -4.94 113.62 108.40 2k7j n SER 93 Ca -0.05 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 57.59 2k7j n SER 93 Cb 0.64 0.87 -0.02 0.00 -0.75 0.00 0.00 64.21 64.96 2k7j n SER 93 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k7j s ASP 94 N -5.35 -0.34 -0.44 -3.46 1.01 -1.26 -4.99 116.67 101.84 2k7j s ASP 94 Ca -0.06 -0.44 -0.27 0.00 0.71 0.00 0.00 52.55 52.49 2k7j s ASP 94 Cb 0.09 0.69 0.02 0.00 1.01 0.00 0.00 42.92 44.74 2k7j s ASP 94 CO 0.84 -1.23 1.01 0.12 0.21 0.00 0.00 175.17 176.12 2k7j s PHE 95 N -3.86 2.93 0.27 4.23 2.19 -1.26 -4.19 117.98 118.30 2k7j s PHE 95 Ca 0.08 0.64 0.08 0.00 0.33 0.00 0.00 56.93 58.06 2k7j s PHE 95 Cb -0.05 -4.05 -0.04 0.00 -1.31 0.00 0.00 43.02 37.58 2k7j s PHE 95 CO 0.01 -1.08 0.16 -1.14 1.83 0.00 0.00 175.22 175.00 2k7j s GLN 96 N 3.94 2.70 0.06 10.12 0.74 -1.26 -4.97 119.66 130.99 2k7j s GLN 96 Ca 0.42 -1.22 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 2k7j s GLN 96 Cb -0.10 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.55 2k7j s GLN 96 CO 0.26 0.33 0.27 0.42 -0.55 0.00 0.00 175.29 176.01 2k7j s ILE 97 N -2.23 5.31 -0.21 -2.34 1.01 -1.26 -3.54 121.20 117.95 2k7j s ILE 97 Ca 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2k7j s ILE 97 Cb -0.07 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2k7j s ILE 97 CO 0.24 0.18 0.12 -0.69 0.00 0.00 0.00 174.94 174.79 2k7j s VAL 98 N -1.48 5.18 -2.15 2.92 1.01 -0.84 -4.92 120.40 120.12 2k7j s VAL 98 Ca 0.34 0.11 0.31 0.00 0.00 0.00 0.00 61.98 62.74 2k7j s VAL 98 Cb -0.13 -3.37 0.80 0.00 0.00 0.00 0.00 36.38 33.68 2k7j s VAL 98 CO 0.23 0.42 2.08 0.29 0.00 0.00 0.00 175.10 178.12