#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0j n GLN 3 N 0.00 0.00 -1.95 -0.67 0.00 -1.26 -5.14 117.38 108.36 2k0j n GLN 3 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 2k0j n GLN 3 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 2k0j n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2k0j n LEU 4 N -1.15 -4.69 -4.96 1.69 7.94 -1.26 -5.05 117.00 109.53 2k0j n LEU 4 Ca 0.00 1.60 -0.23 0.00 -1.11 0.00 0.00 56.01 56.27 2k0j n LEU 4 Cb 0.00 -2.37 0.02 0.00 0.53 0.00 0.00 43.42 41.60 2k0j n LEU 4 CO 0.00 -2.05 0.32 0.42 -1.11 0.00 0.00 177.39 174.97 2k0j s THR 5 N -0.38 3.63 0.27 1.96 -4.23 -1.26 -5.01 115.64 110.62 2k0j s THR 5 Ca -0.07 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2k0j s THR 5 Cb 0.00 -3.35 0.04 0.00 1.34 0.00 0.00 72.50 70.53 2k0j s THR 5 CO 0.20 -0.26 1.68 -0.33 -0.54 0.00 0.00 174.62 175.37 2k0j h GLU 6 N 0.27 0.43 -0.12 3.99 5.08 -2.00 -2.85 114.58 119.37 2k0j h GLU 6 Ca -0.45 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 57.59 2k0j h GLU 6 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k0j h GLU 6 CO 0.56 0.72 -0.49 1.49 -1.00 0.00 0.00 179.01 180.29 2k0j h GLU 7 N 0.37 0.32 0.14 2.33 4.57 -1.99 -2.47 114.58 117.85 2k0j h GLU 7 Ca 0.04 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2k0j h GLU 7 Cb 0.77 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2k0j h GLU 7 CO 0.06 0.75 -0.07 0.37 -1.18 0.00 0.00 179.01 178.94 2k0j h GLN 8 N 0.26 -0.18 -0.46 1.92 4.15 -1.90 -1.97 115.11 116.92 2k0j h GLN 8 Ca 0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2k0j h GLN 8 Cb 0.96 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 2k0j h GLN 8 CO 0.08 -0.00 0.25 0.82 -1.93 0.00 0.00 178.83 178.05 2k0j h ILE 9 N -0.32 1.15 -0.54 2.39 2.04 -1.51 -2.61 117.51 118.10 2k0j h ILE 9 Ca -0.02 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2k0j h ILE 9 Cb 0.26 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2k0j h ILE 9 CO 0.03 0.16 0.15 0.00 0.00 0.00 0.00 178.15 178.49 2k0j h ALA 10 N 1.64 0.71 -0.52 1.87 0.00 -1.19 -0.65 119.26 121.12 2k0j h ALA 10 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k0j h ALA 10 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k0j h ALA 10 CO -0.03 0.39 0.20 0.93 0.00 0.00 0.00 179.25 180.75 2k0j h GLU 11 N 0.76 0.79 -0.28 0.00 5.08 -1.01 -2.12 114.58 117.80 2k0j h GLU 11 Ca 0.17 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2k0j h GLU 11 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2k0j h GLU 11 CO -0.00 0.70 -0.07 0.74 -1.00 0.00 0.00 179.01 179.38 2k0j h PHE 12 N 0.71 0.60 -0.83 4.33 0.04 -1.34 -2.74 116.94 117.71 2k0j h PHE 12 Ca 0.17 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.84 2k0j h PHE 12 Cb 0.21 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 2k0j h PHE 12 CO 0.01 0.74 0.54 -0.22 -0.60 0.00 0.00 178.31 178.78 2k0j h LYS 13 N 0.29 1.02 -0.29 1.51 3.64 -1.05 0.63 116.57 122.33 2k0j h LYS 13 Ca 0.07 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2k0j h LYS 13 Cb 0.55 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2k0j h LYS 13 CO 0.03 0.68 0.01 1.49 -2.27 0.00 0.00 179.45 179.39 2k0j h GLU 14 N 1.05 0.50 -0.64 1.90 4.81 -1.32 -1.56 114.58 119.32 2k0j h GLU 14 Ca 0.32 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2k0j h GLU 14 Cb -0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2k0j h GLU 14 CO -0.09 0.64 0.09 0.00 -0.73 0.00 0.00 179.01 178.92 2k0j h ALA 15 N 0.84 0.85 -0.45 2.92 0.00 -1.15 -2.65 119.26 119.62 2k0j h ALA 15 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k0j h ALA 15 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k0j h ALA 15 CO 0.01 0.62 -0.01 0.35 0.00 0.00 0.00 179.25 180.22 2k0j h PHE 16 N 0.98 0.78 -0.16 0.00 3.57 -0.78 -1.99 116.94 119.35 2k0j h PHE 16 Ca 0.19 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 2k0j h PHE 16 Cb 0.45 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2k0j h PHE 16 CO 0.03 0.74 -0.51 0.66 -2.23 0.00 0.00 178.31 177.00 2k0j h SER 17 N 0.69 0.49 0.13 0.41 4.64 -1.17 -1.63 113.55 117.11 2k0j h SER 17 Ca 0.14 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 2k0j h SER 17 Cb 0.44 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2k0j h SER 17 CO 0.02 0.92 -0.47 -0.07 -0.87 0.00 0.00 176.83 176.36 2k0j h LEU 18 N 0.35 0.44 0.37 5.97 3.38 -1.21 -3.30 115.31 121.30 2k0j h LEU 18 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2k0j h LEU 18 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k0j h LEU 18 CO 0.09 0.84 -0.18 -0.26 0.09 0.00 0.00 178.44 179.03 2k0j h PHE 19 N 0.33 -0.46 -0.68 1.13 -1.00 -1.22 -3.40 116.94 111.65 2k0j h PHE 19 Ca 0.02 -0.01 -0.29 0.00 2.81 0.00 0.00 57.97 60.50 2k0j h PHE 19 Cb 0.95 0.15 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 2k0j h PHE 19 CO 0.03 -0.19 0.75 -0.51 -1.61 0.00 0.00 178.31 176.78 2k0j s ASP 20 N -5.03 5.10 0.32 2.17 1.01 -0.63 -4.80 116.67 114.81 2k0j s ASP 20 Ca -0.10 -0.76 0.00 0.00 0.71 0.00 0.00 52.55 52.40 2k0j s ASP 20 Cb 0.01 -2.56 0.51 0.00 1.01 0.00 0.00 42.92 41.89 2k0j s ASP 20 CO 0.32 -2.81 1.95 0.11 0.21 0.00 0.00 175.17 174.95 2k0j h LYS 21 N 11.15 0.91 0.00 8.23 1.79 -1.78 -2.25 116.57 134.63 2k0j h LYS 21 Ca 0.11 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2k0j h LYS 21 Cb 1.00 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2k0j h LYS 21 CO 1.21 0.65 -0.54 -0.40 -1.08 0.00 0.00 179.45 179.29 2k0j n ASP 22 N -4.39 0.54 -3.63 0.86 5.68 -1.26 -4.97 116.55 109.38 2k0j n ASP 22 Ca 0.07 -0.31 -0.23 0.00 -0.50 0.00 0.00 54.79 53.82 2k0j n ASP 22 Cb 0.09 0.31 0.07 0.00 -1.14 0.00 0.00 41.12 40.44 2k0j n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0j n GLY 23 N 1.50 -0.45 0.01 6.12 0.00 -0.85 -4.90 105.19 106.62 2k0j n GLY 23 Ca 0.05 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.37 2k0j n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0j n ASP 24 N -3.02 0.67 0.00 1.61 5.75 -1.26 -4.96 116.55 115.35 2k0j n ASP 24 Ca -0.10 -0.43 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 2k0j n ASP 24 Cb 0.60 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 2k0j n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0j n GLY 25 N 1.44 0.33 3.13 6.12 0.00 -1.26 -5.07 105.19 109.88 2k0j n GLY 25 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2k0j n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0j s THR 26 N -2.00 1.31 -0.31 2.61 -4.23 -1.26 -3.71 115.64 108.06 2k0j s THR 26 Ca 0.00 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.73 2k0j s THR 26 Cb 0.00 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2k0j s THR 26 CO 0.00 0.38 0.14 -0.63 -0.54 0.00 0.00 174.62 173.96 2k0j s ILE 27 N -0.20 4.39 0.79 2.99 1.01 -0.05 -4.83 121.20 125.30 2k0j s ILE 27 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2k0j s ILE 27 Cb -0.08 -3.28 0.16 0.00 0.01 0.00 0.00 42.46 39.27 2k0j s ILE 27 CO 0.00 0.03 1.09 0.42 0.00 0.00 0.00 174.94 176.48 2k0j s THR 28 N 1.57 2.01 0.28 2.92 -4.23 -1.26 -1.91 115.64 115.02 2k0j s THR 28 Ca 0.03 -0.50 0.21 0.00 -1.18 0.00 0.00 61.69 60.26 2k0j s THR 28 Cb -0.17 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.35 2k0j s THR 28 CO 0.05 0.00 1.88 0.71 -0.54 0.00 0.00 174.62 176.72 2k0j h THR 29 N -0.82 0.79 -0.24 3.99 1.35 -1.91 -1.22 112.91 114.85 2k0j h THR 29 Ca -0.36 -1.09 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 2k0j h THR 29 Cb 1.25 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2k0j h THR 29 CO 0.36 0.26 -0.42 0.50 -0.25 0.00 0.00 175.52 175.97 2k0j h LYS 30 N 0.00 0.71 -0.05 4.72 3.64 -1.98 -0.93 116.57 122.68 2k0j h LYS 30 Ca -0.00 -0.44 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 2k0j h LYS 30 Cb 0.65 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2k0j h LYS 30 CO 0.03 1.06 -0.42 0.93 -2.27 0.00 0.00 179.45 178.78 2k0j h GLU 31 N 0.43 0.37 -0.85 1.90 5.08 -1.88 -2.39 114.58 117.25 2k0j h GLU 31 Ca 0.02 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2k0j h GLU 31 Cb 1.02 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2k0j h GLU 31 CO 0.09 0.99 0.43 1.25 -1.00 0.00 0.00 179.01 180.78 2k0j h LEU 32 N -0.13 1.09 -0.89 1.33 5.85 -1.30 -2.69 115.31 118.56 2k0j h LEU 32 Ca -0.04 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 2k0j h LEU 32 Cb 1.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2k0j h LEU 32 CO 0.09 0.90 -0.54 1.23 -0.34 0.00 0.00 178.44 179.78 2k0j h GLY 33 N 1.20 0.00 1.04 3.75 0.00 -1.21 -3.06 103.07 104.78 2k0j h GLY 33 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 2k0j h GLY 33 CO -0.04 0.00 0.14 -0.84 0.00 0.00 0.00 176.54 175.79 2k0j h THR 34 N 0.00 1.26 -0.29 4.70 2.02 -1.09 -0.21 112.91 119.30 2k0j h THR 34 Ca -0.01 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 2k0j h THR 34 Cb 0.98 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2k0j h THR 34 CO 0.07 0.36 -0.22 0.58 0.37 0.00 0.00 175.52 176.68 2k0j h VAL 35 N 0.93 1.30 -0.00 3.16 2.07 -1.52 -2.73 116.25 119.46 2k0j h VAL 35 Ca 0.19 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 2k0j h VAL 35 Cb 0.38 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2k0j h VAL 35 CO 0.01 0.44 -0.54 0.24 0.02 0.00 0.00 177.57 177.73 2k0j h MET 36 N 0.40 0.01 -0.17 1.57 2.86 -1.48 -2.89 114.93 115.23 2k0j h MET 36 Ca 0.05 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2k0j h MET 36 Cb 0.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2k0j h MET 36 CO 0.06 0.55 -0.45 -0.09 1.06 0.00 0.00 176.91 178.03 2k0j h ARG 37 N 0.01 0.41 0.00 1.72 9.65 -0.96 -1.92 114.38 123.29 2k0j h ARG 37 Ca -0.00 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2k0j h ARG 37 Cb 0.96 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 2k0j h ARG 37 CO 0.07 0.78 0.00 0.66 2.80 0.00 0.00 179.97 184.28 2k0j h SER 38 N 0.33 0.00 -0.27 -3.80 4.64 -1.38 -3.10 113.55 109.98 2k0j h SER 38 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2k0j h SER 38 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2k0j h SER 38 CO 0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 2k0j n LEU 39 N -2.48 1.67 0.00 5.97 4.77 -1.05 -4.88 117.00 120.99 2k0j n LEU 39 Ca 0.05 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2k0j n LEU 39 Cb 0.45 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2k0j n LEU 39 CO 0.31 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2k0j n GLY 40 N 1.05 0.82 3.41 -0.72 0.00 -1.17 -4.89 105.19 103.69 2k0j n GLY 40 Ca 0.13 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2k0j n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0j s GLN 41 N -2.58 1.52 -0.50 1.61 -0.21 -0.75 -5.05 119.66 113.71 2k0j s GLN 41 Ca 0.00 -1.68 0.06 0.00 0.02 0.00 0.00 55.36 53.76 2k0j s GLN 41 Cb 0.00 -1.48 0.22 0.00 1.00 0.00 0.00 33.01 32.74 2k0j s GLN 41 CO 0.00 0.27 0.52 0.09 -2.12 0.00 0.00 175.29 174.05 2k0j n ASN 42 N -0.48 1.25 -4.72 5.90 4.13 -1.26 -3.81 115.26 116.26 2k0j n ASN 42 Ca -0.07 -2.86 -0.41 0.00 1.68 0.00 0.00 54.58 52.93 2k0j n ASN 42 Cb 0.60 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 38.16 2k0j n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2k0j s PRO 43 N -1.21 4.53 0.84 3.52 0.04 -1.26 -5.06 135.00 136.40 2k0j s PRO 43 Ca 0.34 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2k0j s PRO 43 Cb 0.10 -3.42 0.13 0.00 0.04 0.00 0.00 34.50 31.35 2k0j s PRO 43 CO -0.12 0.11 1.18 0.95 0.04 0.00 0.00 177.00 179.16 2k0j s THR 44 N 0.52 2.07 0.21 1.26 -4.23 -1.26 -4.80 115.64 109.42 2k0j s THR 44 Ca 0.44 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.73 2k0j s THR 44 Cb -0.20 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.83 2k0j s THR 44 CO 0.24 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.01 2k0j h GLU 45 N -1.15 0.47 -0.33 3.99 4.57 -1.97 -0.22 114.58 119.95 2k0j h GLU 45 Ca -0.44 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.62 2k0j h GLU 45 Cb 1.28 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 2k0j h GLU 45 CO 0.50 0.31 -0.17 0.00 -1.18 0.00 0.00 179.01 178.48 2k0j h ALA 46 N 1.39 1.10 -0.21 2.92 0.00 -1.99 -1.68 119.26 120.79 2k0j h ALA 46 Ca 0.30 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2k0j h ALA 46 Cb 0.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k0j h ALA 46 CO -0.27 0.56 -0.14 0.93 0.00 0.00 0.00 179.25 180.33 2k0j h GLU 47 N 0.53 0.46 -0.31 0.00 5.08 -1.73 -2.77 114.58 115.86 2k0j h GLU 47 Ca 0.09 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2k0j h GLU 47 Cb 0.59 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2k0j h GLU 47 CO 0.04 0.77 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.61 2k0j h LEU 48 N 0.15 0.52 -0.49 1.33 3.38 -0.98 -2.95 115.31 116.27 2k0j h LEU 48 Ca 0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2k0j h LEU 48 Cb 0.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2k0j h LEU 48 CO 0.04 0.68 0.05 -0.61 0.09 0.00 0.00 178.44 178.69 2k0j h GLN 49 N 0.49 0.84 -0.76 1.13 5.75 -1.26 -2.88 115.11 118.41 2k0j h GLN 49 Ca 0.09 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2k0j h GLN 49 Cb 0.52 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 2k0j h GLN 49 CO 0.03 0.85 0.50 -0.44 -2.65 0.00 0.00 178.83 177.13 2k0j h ASP 50 N 0.71 0.81 -0.62 -0.69 3.32 -1.32 -1.07 116.42 117.56 2k0j h ASP 50 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2k0j h ASP 50 Cb 0.44 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2k0j h ASP 50 CO 0.02 0.56 0.07 0.24 -1.72 0.00 0.00 179.24 178.41 2k0j h MET 51 N 0.94 1.05 -0.28 3.56 2.86 -1.42 -2.43 114.93 119.21 2k0j h MET 51 Ca 0.30 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 2k0j h MET 51 Cb 0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2k0j h MET 51 CO -0.09 0.99 -0.36 0.82 1.06 0.00 0.00 176.91 179.33 2k0j h ILE 52 N 0.98 1.30 0.00 -1.22 2.04 -1.19 -3.16 117.51 116.27 2k0j h ILE 52 Ca 0.19 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 2k0j h ILE 52 Cb 0.46 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2k0j h ILE 52 CO 0.02 0.50 -0.21 0.78 0.00 0.00 0.00 178.15 179.23 2k0j h ASN 53 N 0.49 0.00 -0.28 1.72 2.35 -1.12 -1.22 115.58 117.52 2k0j h ASN 53 Ca 0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2k0j h ASN 53 Cb 0.95 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 2k0j h ASN 53 CO 0.09 0.21 0.08 -0.33 -1.65 0.00 0.00 177.43 175.83 2k0j h GLU 54 N 0.00 0.52 -0.35 0.81 5.08 -1.39 -2.79 114.58 116.45 2k0j h GLU 54 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2k0j h GLU 54 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k0j h GLU 54 CO 0.03 0.49 0.00 1.33 -1.00 0.00 0.00 179.01 179.86 2k0j n VAL 55 N -4.34 0.89 -2.26 3.13 0.24 -1.00 -4.92 118.33 110.08 2k0j n VAL 55 Ca 0.02 -0.95 -0.34 0.00 -2.04 0.00 0.00 64.34 61.03 2k0j n VAL 55 Cb 0.19 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 2k0j n VAL 55 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2k0j s ASP 56 N -1.00 5.68 0.03 -1.34 1.01 -0.50 -4.71 116.67 115.85 2k0j s ASP 56 Ca 0.25 -0.72 -0.20 0.00 0.71 0.00 0.00 52.55 52.58 2k0j s ASP 56 Cb 0.13 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.35 2k0j s ASP 56 CO 0.18 -2.22 1.32 0.00 0.21 0.00 0.00 175.17 174.65 2k0j h ALA 57 N 11.29 0.20 -0.00 5.23 0.00 -1.89 -3.26 119.26 130.81 2k0j h ALA 57 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k0j h ALA 57 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k0j h ALA 57 CO 1.29 0.11 -0.77 -0.40 0.00 0.00 0.00 179.25 179.48 2k0j n ASP 58 N -4.54 0.89 -1.91 0.00 5.68 -1.26 -4.98 116.55 110.43 2k0j n ASP 58 Ca -0.06 -0.77 -0.14 0.00 -0.50 0.00 0.00 54.79 53.32 2k0j n ASP 58 Cb 0.38 0.67 0.02 0.00 -1.14 0.00 0.00 41.12 41.06 2k0j n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0j n GLY 59 N 1.49 -0.06 0.00 6.12 0.00 -1.23 -4.91 105.19 106.60 2k0j n GLY 59 Ca 0.05 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2k0j n GLY 59 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0j n ASP 60 N -0.84 0.00 0.00 1.61 5.75 -1.26 -4.89 116.55 116.92 2k0j n ASP 60 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2k0j n ASP 60 Cb 0.58 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2k0j n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0j n GLY 61 N 1.21 0.96 3.50 6.12 0.00 -1.26 -5.04 105.19 110.69 2k0j n GLY 61 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2k0j n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0j s THR 62 N -2.30 1.09 -0.38 2.61 -4.23 -1.26 -4.89 115.64 106.28 2k0j s THR 62 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2k0j s THR 62 Cb 0.00 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2k0j s THR 62 CO 0.00 0.00 0.27 -0.63 -0.54 0.00 0.00 174.62 173.72 2k0j s ILE 63 N -3.21 5.21 0.49 2.99 1.01 -0.80 -4.81 121.20 122.08 2k0j s ILE 63 Ca 0.31 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2k0j s ILE 63 Cb 0.07 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.83 2k0j s ILE 63 CO 0.14 -0.19 0.67 0.47 0.00 0.00 0.00 174.94 176.03 2k0j n ASP 64 N 5.13 0.28 0.20 3.58 8.00 -1.26 -0.87 116.55 131.60 2k0j n ASP 64 Ca -0.12 -1.38 -0.14 0.00 0.71 0.00 0.00 54.79 53.86 2k0j n ASP 64 Cb 0.48 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 2k0j n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0j h PHE 65 N -1.12 -0.44 -0.19 1.24 3.57 -1.99 -1.90 116.94 116.11 2k0j h PHE 65 Ca -0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.23 2k0j h PHE 65 Cb 0.66 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2k0j h PHE 65 CO 0.00 -0.17 -0.09 -1.00 -2.23 0.00 0.00 178.31 174.83 2k0j h PRO 66 N -0.67 0.30 -0.08 6.41 0.13 -1.95 -2.35 132.00 133.78 2k0j h PRO 66 Ca -0.05 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.92 2k0j h PRO 66 Cb 0.48 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2k0j h PRO 66 CO 0.08 0.40 -0.39 0.93 -0.23 0.00 0.00 178.00 178.78 2k0j h GLU 67 N 0.28 0.17 -0.04 0.86 5.08 -1.83 -2.89 114.58 116.22 2k0j h GLU 67 Ca 0.06 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 2k0j h GLU 67 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k0j h GLU 67 CO 0.02 0.54 -0.79 0.35 -1.00 0.00 0.00 179.01 178.13 2k0j h PHE 68 N 0.15 0.47 -0.85 4.33 3.57 -0.83 -2.70 116.94 121.08 2k0j h PHE 68 Ca 0.01 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 2k0j h PHE 68 Cb 0.76 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2k0j h PHE 68 CO 0.01 0.99 0.46 -0.07 -2.23 0.00 0.00 178.31 177.48 2k0j h LEU 69 N 0.21 1.06 -0.48 0.59 3.38 -1.27 -1.94 115.31 116.87 2k0j h LEU 69 Ca -0.04 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2k0j h LEU 69 Cb 1.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k0j h LEU 69 CO 0.13 0.85 -0.25 0.74 0.09 0.00 0.00 178.44 180.00 2k0j h THR 70 N 1.18 1.27 -0.49 0.22 2.02 -1.50 -2.43 112.91 113.18 2k0j h THR 70 Ca 0.30 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2k0j h THR 70 Cb 0.03 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2k0j h THR 70 CO -0.05 0.49 0.32 -0.03 0.37 0.00 0.00 175.52 176.62 2k0j h MET 71 N 0.84 0.62 0.00 6.66 1.85 -1.12 -2.34 114.93 121.44 2k0j h MET 71 Ca 0.10 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.06 2k0j h MET 71 Cb 0.84 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.71 2k0j h MET 71 CO 0.07 0.41 -0.45 0.52 -0.40 0.00 0.00 176.91 177.06 2k0j h MET 72 N 0.64 0.00 0.00 0.39 2.86 -1.34 -2.80 114.93 114.68 2k0j h MET 72 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2k0j h MET 72 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2k0j h MET 72 CO -0.05 0.45 -0.14 0.00 1.06 0.00 0.00 176.91 178.23 2k0j h ALA 73 N 1.55 1.04 0.06 6.32 0.00 -0.91 0.23 119.26 127.55 2k0j h ALA 73 Ca -0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 2k0j h ALA 73 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k0j h ALA 73 CO 0.06 0.17 -1.16 0.00 0.00 0.00 0.00 179.25 178.32 2k0j h ARG 74 N 0.00 0.13 0.04 0.00 3.08 -1.19 -2.67 114.38 113.78 2k0j h ARG 74 Ca -0.00 -0.23 -0.33 0.00 0.07 0.00 0.00 59.98 59.49 2k0j h ARG 74 Cb 0.62 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 2k0j h ARG 74 CO 0.02 1.09 -1.87 1.63 -1.07 0.00 0.00 179.97 179.77 2k0j n LYS 75 N -3.43 0.65 0.00 0.04 4.01 -1.14 -2.92 118.16 115.37 2k0j n LYS 75 Ca -0.05 0.37 0.14 0.00 -0.51 0.00 0.00 58.31 58.25 2k0j n LYS 75 Cb 0.99 -1.67 0.51 0.00 -0.51 0.00 0.00 35.03 34.35 2k0j n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2k0j n MET 76 N -3.94 0.54 -2.98 1.97 2.81 0.06 -3.65 117.12 111.92 2k0j n MET 76 Ca -0.37 -0.22 -0.14 0.00 -1.81 0.00 0.00 57.70 55.15 2k0j n MET 76 Cb 0.88 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.90 2k0j n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k0j n LYS 77 N -1.04 1.02 0.00 0.03 5.02 -1.01 -4.92 118.16 117.27 2k0j n LYS 77 Ca 0.12 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 2k0j n LYS 77 Cb 0.31 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2k0j n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k0j n ASP 78 N 0.19 0.00 -2.55 4.39 2.03 -1.25 -4.65 116.55 114.71 2k0j n ASP 78 Ca 0.17 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.44 2k0j n ASP 78 Cb 0.71 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.12 2k0j n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2k0j n THR 79 N 0.00 0.00 -2.11 5.18 -2.24 -1.15 -4.95 114.28 109.01 2k0j n THR 79 Ca 0.00 -0.36 -0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2k0j n THR 79 Cb 0.00 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2k0j n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k0j n ASP 80 N -2.88 -5.03 0.07 3.42 2.03 -1.26 -4.71 116.55 108.19 2k0j n ASP 80 Ca 0.03 0.72 0.00 0.00 0.52 0.00 0.00 54.79 56.06 2k0j n ASP 80 Cb 0.11 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.33 2k0j n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k0j n SER 81 N 0.35 -0.39 -3.82 1.67 7.64 -1.26 -4.96 113.62 112.85 2k0j n SER 81 Ca 0.00 0.26 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 2k0j n SER 81 Cb 0.00 0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 63.57 2k0j n SER 81 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k0j s GLU 82 N -2.00 0.14 -0.32 1.43 2.56 -1.26 -4.79 118.70 114.47 2k0j s GLU 82 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.17 2k0j s GLU 82 Cb 0.00 0.04 0.00 0.00 2.00 0.00 0.00 34.13 36.17 2k0j s GLU 82 CO 0.00 -0.03 0.00 0.39 -0.56 0.00 0.00 175.26 175.06 2k0j n GLU 83 N 3.14 -1.30 0.00 4.30 4.71 -1.26 -4.72 120.64 125.51 2k0j n GLU 83 Ca -0.14 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 2k0j n GLU 83 Cb 0.58 -4.53 0.00 0.00 -1.01 0.00 0.00 31.44 26.48 2k0j n GLU 83 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2k0j n GLU 84 N -0.73 2.86 0.11 3.49 1.02 -1.26 -4.58 120.64 121.55 2k0j n GLU 84 Ca -0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2k0j n GLU 84 Cb 0.37 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 2k0j n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2k0j h ILE 85 N 0.00 1.24 -0.10 -3.67 2.04 -1.86 -3.17 117.51 111.99 2k0j h ILE 85 Ca 0.00 -2.69 -0.09 0.00 1.00 0.00 0.00 64.86 63.08 2k0j h ILE 85 Cb 0.67 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 2k0j h ILE 85 CO 0.00 0.69 -0.36 -0.09 0.00 0.00 0.00 178.15 178.39 2k0j h ARG 86 N 0.00 0.20 -0.31 2.37 9.65 -1.95 -1.23 114.38 123.11 2k0j h ARG 86 Ca -0.01 -0.08 -0.15 0.00 -1.10 0.00 0.00 59.98 58.64 2k0j h ARG 86 Cb 1.52 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 2k0j h ARG 86 CO 0.09 0.54 -0.41 0.93 2.80 0.00 0.00 179.97 183.92 2k0j h GLU 87 N 0.17 0.76 -0.07 0.20 5.08 -1.80 -2.45 114.58 116.47 2k0j h GLU 87 Ca 0.02 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.83 2k0j h GLU 87 Cb 0.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2k0j h GLU 87 CO 0.05 1.03 -0.61 0.00 -1.00 0.00 0.00 179.01 178.48 2k0j h ALA 88 N 0.92 0.85 -0.32 3.43 0.00 -1.49 -3.02 119.26 119.63 2k0j h ALA 88 Ca 0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2k0j h ALA 88 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2k0j h ALA 88 CO 0.09 0.73 -0.18 0.35 0.00 0.00 0.00 179.25 180.25 2k0j h PHE 89 N 0.17 0.63 0.00 0.00 3.57 -1.09 -2.44 116.94 117.79 2k0j h PHE 89 Ca -0.01 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2k0j h PHE 89 Cb 1.11 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2k0j h PHE 89 CO 0.02 0.72 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.63 2k0j h ARG 90 N 0.52 0.00 -0.31 1.11 2.43 -1.32 -1.31 114.38 115.51 2k0j h ARG 90 Ca 0.08 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2k0j h ARG 90 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2k0j h ARG 90 CO 0.04 0.10 -0.47 0.28 -1.51 0.00 0.00 179.97 178.42 2k0j h VAL 91 N 0.00 1.28 0.04 0.20 2.07 -1.39 -3.28 116.25 115.16 2k0j h VAL 91 Ca -0.00 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 2k0j h VAL 91 Cb 0.50 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2k0j h VAL 91 CO 0.01 0.54 -0.02 -0.26 0.02 0.00 0.00 177.57 177.87 2k0j h PHE 92 N 0.65 -0.04 -1.99 1.57 0.04 -1.52 -3.39 116.94 112.25 2k0j h PHE 92 Ca 0.03 -0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.10 2k0j h PHE 92 Cb 1.07 0.01 -0.16 0.00 2.20 0.00 0.00 35.95 39.08 2k0j h PHE 92 CO 0.07 0.54 1.29 0.34 -0.60 0.00 0.00 178.31 179.96 2k0j s ASP 93 N -5.86 6.84 0.13 2.17 2.15 -0.51 -4.66 116.67 116.93 2k0j s ASP 93 Ca -0.12 -2.45 -0.17 0.00 0.43 0.00 0.00 52.55 50.23 2k0j s ASP 93 Cb -0.01 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2k0j s ASP 93 CO 0.45 -0.98 1.71 0.50 -0.17 0.00 0.00 175.17 176.68 2k0j h LYS 94 N 8.04 0.49 0.00 4.34 3.64 -1.77 -2.71 116.57 128.61 2k0j h LYS 94 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2k0j h LYS 94 Cb 0.94 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2k0j h LYS 94 CO 1.24 0.45 0.00 -0.40 -2.27 0.00 0.00 179.45 178.47 2k0j n ASP 95 N -4.74 0.08 -3.53 4.20 5.68 -1.26 -4.92 116.55 112.05 2k0j n ASP 95 Ca -0.01 0.51 -0.19 0.00 -0.50 0.00 0.00 54.79 54.61 2k0j n ASP 95 Cb 0.10 -0.53 0.07 0.00 -1.14 0.00 0.00 41.12 39.62 2k0j n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0j n GLY 96 N 0.43 -0.33 0.46 6.12 0.00 -1.02 -4.90 105.19 105.94 2k0j n GLY 96 Ca 0.04 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2k0j n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0j n ASN 97 N -3.10 1.69 0.00 1.61 6.94 -1.26 -4.93 115.26 116.21 2k0j n ASN 97 Ca -0.29 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 2k0j n ASN 97 Cb 0.67 0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 2k0j n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0j n GLY 98 N 1.34 0.68 2.86 4.83 0.00 -1.26 -5.05 105.19 108.59 2k0j n GLY 98 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2k0j n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0j s TYR 99 N -2.66 0.36 -0.42 1.61 2.02 -1.26 -3.82 117.35 113.18 2k0j s TYR 99 Ca 0.00 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.51 2k0j s TYR 99 Cb 0.00 -0.37 0.03 0.00 -0.40 0.00 0.00 41.96 41.22 2k0j s TYR 99 CO 0.00 -0.10 0.32 0.42 -1.57 0.00 0.00 175.55 174.62 2k0j s ILE 100 N 0.68 5.24 0.79 2.71 1.01 -0.13 -4.86 121.20 126.64 2k0j s ILE 100 Ca -0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2k0j s ILE 100 Cb -0.10 -3.96 0.09 0.00 0.01 0.00 0.00 42.46 38.49 2k0j s ILE 100 CO -0.01 -0.36 1.13 -0.94 0.00 0.00 0.00 174.94 174.76 2k0j s SER 101 N 1.86 4.44 0.43 3.58 1.04 -1.26 -2.49 113.70 121.29 2k0j s SER 101 Ca 0.05 0.55 0.11 0.00 0.48 0.00 0.00 55.95 57.14 2k0j s SER 101 Cb -0.20 -1.04 0.92 0.00 0.10 0.00 0.00 66.02 65.80 2k0j s SER 101 CO 0.09 -1.89 1.99 0.00 0.98 0.00 0.00 173.24 174.41 2k0j h ALA 102 N -0.94 1.66 -0.29 5.32 0.00 -1.89 -2.28 119.26 120.83 2k0j h ALA 102 Ca -0.45 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2k0j h ALA 102 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k0j h ALA 102 CO 0.59 0.25 -0.43 0.00 0.00 0.00 0.00 179.25 179.67 2k0j h ALA 103 N 1.76 0.69 -0.21 0.00 0.00 -1.96 -2.23 119.26 117.30 2k0j h ALA 103 Ca 0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2k0j h ALA 103 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k0j h ALA 103 CO 0.01 0.67 -0.39 0.93 0.00 0.00 0.00 179.25 180.47 2k0j h GLU 104 N 0.60 0.64 -0.42 0.00 5.08 -1.79 -2.32 114.58 116.36 2k0j h GLU 104 Ca 0.04 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2k0j h GLU 104 Cb 0.98 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2k0j h GLU 104 CO 0.09 1.02 0.16 1.25 -1.00 0.00 0.00 179.01 180.53 2k0j h LEU 105 N 0.33 0.59 -1.25 1.33 5.85 -1.44 -2.59 115.31 118.13 2k0j h LEU 105 Ca 0.01 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2k0j h LEU 105 Cb 0.98 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2k0j h LEU 105 CO 0.09 0.61 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.68 2k0j h ARG 106 N 0.54 0.48 -0.34 1.25 2.43 -1.44 -2.23 114.38 115.07 2k0j h ARG 106 Ca 0.14 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2k0j h ARG 106 Cb 0.21 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2k0j h ARG 106 CO -0.01 0.53 0.06 1.25 -1.51 0.00 0.00 179.97 180.29 2k0j h HIS 107 N 0.45 0.59 -0.50 2.20 2.76 -1.14 -1.32 115.15 118.21 2k0j h HIS 107 Ca 0.10 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 2k0j h HIS 107 Cb 0.35 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2k0j h HIS 107 CO 0.01 0.62 -0.11 0.28 -1.30 0.00 0.00 177.93 177.43 2k0j h VAL 108 N 0.39 1.27 -0.63 5.26 2.07 -1.32 -2.60 116.25 120.69 2k0j h VAL 108 Ca 0.10 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2k0j h VAL 108 Cb 0.34 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2k0j h VAL 108 CO 0.01 0.43 0.13 0.24 0.02 0.00 0.00 177.57 178.40 2k0j h MET 109 N 0.80 1.01 -0.51 1.57 2.07 -1.33 -2.33 114.93 116.22 2k0j h MET 109 Ca 0.13 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.48 2k0j h MET 109 Cb 0.66 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 2k0j h MET 109 CO 0.05 0.91 0.15 1.15 1.07 0.00 0.00 176.91 180.23 2k0j h THR 110 N 0.96 1.21 0.00 2.22 2.02 -1.11 -2.02 112.91 116.19 2k0j h THR 110 Ca 0.20 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 2k0j h THR 110 Cb 0.37 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2k0j h THR 110 CO 0.00 0.27 -0.38 0.78 0.37 0.00 0.00 175.52 176.56 2k0j h ASN 111 N 0.74 0.00 0.57 4.18 -0.26 -1.06 -2.68 115.58 117.08 2k0j h ASN 111 Ca 0.17 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.77 2k0j h ASN 111 Cb 0.24 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2k0j h ASN 111 CO -0.01 0.38 -0.65 -0.07 -1.06 0.00 0.00 177.43 176.02 2k0j h LEU 112 N 0.00 0.09 0.00 1.61 3.38 -0.86 -3.46 115.31 116.07 2k0j h LEU 112 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k0j h LEU 112 Cb 0.76 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2k0j h LEU 112 CO 0.05 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2k0j n GLY 113 N 0.36 1.26 3.53 0.83 0.00 -0.97 -4.56 105.19 105.64 2k0j n GLY 113 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2k0j n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0j s GLU 114 N 0.00 3.38 -1.18 1.61 2.12 -0.98 -4.94 118.70 118.70 2k0j s GLU 114 Ca 0.00 -0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.10 2k0j s GLU 114 Cb 0.00 -4.02 0.23 0.00 0.26 0.00 0.00 34.13 30.61 2k0j s GLU 114 CO 0.00 -1.39 1.65 1.63 -0.54 0.00 0.00 175.26 176.61 2k0j n LYS 115 N 7.33 3.97 -1.22 4.30 5.02 -1.26 -2.91 118.16 133.38 2k0j n LYS 115 Ca 0.03 -4.02 -0.31 0.00 -2.02 0.00 0.00 58.31 51.99 2k0j n LYS 115 Cb 0.48 -2.74 0.11 0.00 -0.02 0.00 0.00 35.03 32.86 2k0j n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0j s LEU 116 N -1.22 2.74 0.63 -0.35 0.05 -1.26 -5.03 118.68 114.24 2k0j s LEU 116 Ca 0.36 1.72 -0.14 0.00 0.05 0.00 0.00 54.13 56.12 2k0j s LEU 116 Cb 0.06 -4.30 -0.02 0.00 -2.05 0.00 0.00 46.19 39.87 2k0j s LEU 116 CO 0.04 -2.29 1.05 -0.89 -0.55 0.00 0.00 176.35 173.71 2k0j s THR 117 N -2.90 4.00 0.25 5.48 2.01 -1.26 -4.95 115.64 118.25 2k0j s THR 117 Ca 0.62 0.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.39 2k0j s THR 117 Cb -0.18 -3.44 0.18 0.00 0.01 0.00 0.00 72.50 69.07 2k0j s THR 117 CO 0.56 -0.68 1.83 0.44 -0.69 0.00 0.00 174.62 176.08 2k0j h ASP 118 N 0.00 1.00 -0.62 3.53 5.19 -1.98 -2.67 116.42 120.88 2k0j h ASP 118 Ca -0.46 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 55.75 2k0j h ASP 118 Cb 1.21 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 2k0j h ASP 118 CO 0.58 0.87 0.12 -0.08 -3.12 0.00 0.00 179.24 177.61 2k0j h GLU 119 N 1.07 1.03 -0.51 3.56 4.57 -2.00 -2.41 114.58 119.90 2k0j h GLU 119 Ca 0.25 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2k0j h GLU 119 Cb 0.17 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2k0j h GLU 119 CO -0.03 0.94 0.03 0.93 -1.18 0.00 0.00 179.01 179.70 2k0j h GLU 120 N 0.98 0.85 -0.20 1.92 5.08 -1.87 -2.58 114.58 118.75 2k0j h GLU 120 Ca 0.20 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2k0j h GLU 120 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2k0j h GLU 120 CO 0.01 0.83 -0.42 0.28 -1.00 0.00 0.00 179.01 178.70 2k0j h VAL 121 N 0.79 1.31 0.00 3.13 2.07 -1.27 -2.81 116.25 119.47 2k0j h VAL 121 Ca 0.16 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 2k0j h VAL 121 Cb 0.44 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2k0j h VAL 121 CO 0.02 0.50 -0.32 -0.78 0.02 0.00 0.00 177.57 177.00 2k0j h ASP 122 N 0.40 0.00 0.31 0.57 1.82 -1.17 -1.89 116.42 116.46 2k0j h ASP 122 Ca 0.03 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.53 2k0j h ASP 122 Cb 0.91 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 2k0j h ASP 122 CO 0.08 0.32 -0.56 -0.33 -1.61 0.00 0.00 179.24 177.14 2k0j h GLU 123 N 0.00 0.26 -0.23 0.28 5.08 -1.22 -2.63 114.58 116.12 2k0j h GLU 123 Ca -0.00 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 2k0j h GLU 123 Cb 0.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k0j h GLU 123 CO 0.04 0.75 -0.60 0.52 -1.00 0.00 0.00 179.01 178.73 2k0j h MET 124 N 0.20 0.82 -0.30 2.33 2.86 -1.23 -2.93 114.93 116.68 2k0j h MET 124 Ca 0.00 -0.57 0.01 0.00 -2.06 0.00 0.00 59.70 57.08 2k0j h MET 124 Cb 1.05 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2k0j h MET 124 CO 0.09 1.19 0.19 0.82 1.06 0.00 0.00 176.91 180.26 2k0j h ILE 125 N 0.57 1.07 0.00 -1.22 1.08 -1.26 -2.20 117.51 115.55 2k0j h ILE 125 Ca -0.01 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 2k0j h ILE 125 Cb 1.21 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2k0j h ILE 125 CO 0.13 0.07 -0.14 0.03 -0.69 0.00 0.00 178.15 177.56 2k0j h ARG 126 N 0.40 0.00 -0.46 2.37 3.08 -1.51 -0.09 114.38 118.17 2k0j h ARG 126 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2k0j h ARG 126 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2k0j h ARG 126 CO -0.03 0.14 -0.21 1.49 -1.07 0.00 0.00 179.97 180.28 2k0j h GLU 127 N 0.00 0.94 -0.01 0.04 4.81 -1.20 -2.98 114.58 116.18 2k0j h GLU 127 Ca -0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2k0j h GLU 127 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k0j h GLU 127 CO 0.02 1.06 -0.48 0.00 -0.73 0.00 0.00 179.01 178.88 2k0j n ALA 128 N -2.51 3.56 -2.44 2.92 0.00 -1.00 -4.85 120.51 116.18 2k0j n ALA 128 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 2k0j n ALA 128 Cb 0.45 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 2k0j n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0j s ASP 129 N -2.65 6.44 -0.22 0.00 2.15 -0.08 -4.84 116.67 117.48 2k0j s ASP 129 Ca 0.18 0.70 0.11 0.00 0.43 0.00 0.00 52.55 53.96 2k0j s ASP 129 Cb 0.18 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 40.04 2k0j s ASP 129 CO 0.62 -1.37 -0.02 -0.38 -0.17 0.00 0.00 175.17 173.84 2k0j n ILE 130 N 7.00 1.45 0.92 4.11 5.41 -1.26 -4.40 119.36 132.58 2k0j n ILE 130 Ca 0.15 -0.73 0.13 0.00 1.00 0.00 0.00 62.75 63.29 2k0j n ILE 130 Cb 0.48 -0.90 0.36 0.00 -0.71 0.00 0.00 39.64 38.87 2k0j n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0j n ASP 131 N -2.99 0.38 0.00 4.38 5.68 -1.26 -4.94 116.55 117.81 2k0j n ASP 131 Ca -0.38 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 2k0j n ASP 131 Cb 1.08 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 2k0j n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0j n GLY 132 N 1.47 0.46 0.02 6.12 0.00 -1.26 -4.91 105.19 107.08 2k0j n GLY 132 Ca 0.06 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.73 2k0j n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0j n ASP 133 N 0.89 0.07 0.00 1.61 5.75 -1.26 -4.89 116.55 118.72 2k0j n ASP 133 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 2k0j n ASP 133 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2k0j n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0j n GLY 134 N 1.27 0.55 3.28 6.12 0.00 -1.26 -5.04 105.19 110.11 2k0j n GLY 134 Ca 0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 2k0j n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0j s GLN 135 N -0.98 1.46 -0.26 1.61 -0.21 -1.26 -4.76 119.66 115.26 2k0j s GLN 135 Ca 0.00 -1.74 0.01 0.00 0.02 0.00 0.00 55.36 53.65 2k0j s GLN 135 Cb 0.00 0.32 0.07 0.00 1.00 0.00 0.00 33.01 34.40 2k0j s GLN 135 CO 0.00 -0.52 -0.03 0.08 -2.12 0.00 0.00 175.29 172.70 2k0j s VAL 136 N -3.83 1.67 0.98 1.09 1.01 -1.04 -4.52 120.40 115.76 2k0j s VAL 136 Ca 0.38 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 2k0j s VAL 136 Cb 0.04 -1.99 0.21 0.00 0.00 0.00 0.00 36.38 34.65 2k0j s VAL 136 CO 0.18 -0.23 1.33 0.54 0.00 0.00 0.00 175.10 176.92 2k0j s ASN 137 N 1.30 2.97 0.37 3.32 2.20 -1.26 -0.95 114.94 122.89 2k0j s ASN 137 Ca -0.02 0.23 0.06 0.00 -0.94 0.00 0.00 52.86 52.19 2k0j s ASN 137 Cb -0.19 -0.24 0.72 0.00 -2.00 0.00 0.00 41.25 39.54 2k0j s ASN 137 CO -0.08 -2.82 1.94 0.22 -2.94 0.00 0.00 177.10 173.42 2k0j h TYR 138 N -1.71 0.49 -0.64 1.54 3.20 -1.99 -0.21 116.97 117.65 2k0j h TYR 138 Ca -0.44 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.32 2k0j h TYR 138 Cb 1.23 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2k0j h TYR 138 CO -1.29 0.44 0.08 1.49 -1.64 0.00 0.00 178.16 177.24 2k0j h GLU 139 N 0.48 1.07 0.00 1.82 4.81 -1.93 -2.27 114.58 118.57 2k0j h GLU 139 Ca 0.11 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 2k0j h GLU 139 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k0j h GLU 139 CO -0.00 1.00 -0.47 0.93 -0.73 0.00 0.00 179.01 179.73 2k0j h GLU 140 N 1.00 0.00 -0.04 1.92 5.08 -1.79 -2.96 114.58 117.80 2k0j h GLU 140 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2k0j h GLU 140 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0j h GLU 140 CO 0.02 0.47 0.00 0.35 -1.00 0.00 0.00 179.01 178.85 2k0j h PHE 141 N 0.00 0.07 -0.02 4.33 3.57 -0.68 -2.04 116.94 122.18 2k0j h PHE 141 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2k0j h PHE 141 Cb 1.31 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2k0j h PHE 141 CO 0.00 0.33 -0.45 0.28 -2.23 0.00 0.00 178.31 176.25 2k0j h VAL 142 N -0.22 1.32 -0.65 1.41 2.07 -1.50 -1.54 116.25 117.14 2k0j h VAL 142 Ca 0.01 -1.55 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 2k0j h VAL 142 Cb 0.31 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2k0j h VAL 142 CO 0.00 0.45 0.06 -0.61 0.02 0.00 0.00 177.57 177.49 2k0j h GLN 143 N 0.03 1.10 0.00 1.57 5.75 -1.40 -2.29 115.11 119.87 2k0j h GLN 143 Ca -0.00 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.12 2k0j h GLN 143 Cb 0.81 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 2k0j h GLN 143 CO 0.06 1.03 -0.31 1.98 -2.65 0.00 0.00 178.83 178.95 2k0j h MET 144 N 1.01 0.00 0.00 1.69 4.05 -1.20 -3.20 114.93 117.28 2k0j h MET 144 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2k0j h MET 144 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2k0j h MET 144 CO 0.02 0.31 0.00 0.52 0.23 0.00 0.00 176.91 177.99 2k0j h MET 145 N 0.00 0.00 0.00 0.39 2.86 -0.92 -3.04 114.93 114.22 2k0j h MET 145 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0j h MET 145 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2k0j h MET 145 CO 0.04 0.00 -1.36 0.25 1.06 0.00 0.00 176.91 176.90 2k0j n THR 146 N -2.65 0.36 -2.98 2.22 -2.24 -0.89 -4.93 114.28 103.16 2k0j n THR 146 Ca 0.04 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.14 2k0j n THR 146 Cb 0.42 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 2k0j n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k0j s ALA 147 N -3.41 4.42 -2.00 6.98 0.00 -1.15 -5.13 121.76 121.48 2k0j s ALA 147 Ca -0.03 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.40 2k0j s ALA 147 Cb 0.12 -1.70 0.44 0.00 0.00 0.00 0.00 23.12 21.97 2k0j s ALA 147 CO 0.83 -0.34 0.90 1.63 0.00 0.00 0.00 175.76 178.78