#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 -0.77 -0.78 5.08 -2.06 -2.12 114.58 113.94 2k0f h GLU 2 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 2 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2k0f h GLU 2 CO 0.00 0.00 0.42 0.93 -1.00 0.00 0.00 179.01 179.36 2k0f h GLU 3 N 0.00 1.07 -0.03 2.33 5.08 -2.05 -0.81 114.58 120.16 2k0f h GLU 3 Ca 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 3 Cb 0.50 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 3 CO 0.00 0.78 0.02 0.37 -1.00 0.00 0.00 179.01 179.19 2k0f h GLN 4 N 1.07 0.05 -0.66 2.33 4.15 -1.82 -1.42 115.11 118.81 2k0f h GLN 4 Ca 0.27 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.80 2k0f h GLN 4 Cb 0.03 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.63 2k0f h GLN 4 CO -0.04 0.06 0.24 0.82 -1.93 0.00 0.00 178.83 177.98 2k0f h ILE 5 N 0.02 0.72 -0.37 2.39 1.08 -1.24 -1.69 117.51 118.41 2k0f h ILE 5 Ca 0.01 -0.14 -0.11 0.00 -0.39 0.00 0.00 64.86 64.23 2k0f h ILE 5 Cb 0.03 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 2k0f h ILE 5 CO -0.00 0.07 -0.22 0.00 -0.69 0.00 0.00 178.15 177.31 2k0f h ALA 6 N 1.47 0.92 -0.22 1.87 0.00 -1.08 0.20 119.26 122.41 2k0f h ALA 6 Ca 0.34 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 6 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 6 CO -0.35 0.62 -0.20 1.49 0.00 0.00 0.00 179.25 180.81 2k0f h GLU 7 N 0.64 0.38 -0.07 0.00 4.81 -0.99 -2.01 114.58 117.34 2k0f h GLU 7 Ca 0.09 -0.12 -0.23 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 7 Cb 0.72 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.08 2k0f h GLU 7 CO 0.06 0.57 -0.86 0.74 -0.73 0.00 0.00 179.01 178.79 2k0f h PHE 8 N 0.35 1.00 -0.78 0.92 0.04 -0.90 -3.15 116.94 114.42 2k0f h PHE 8 Ca 0.06 -0.50 0.20 0.00 2.80 0.00 0.00 57.97 60.54 2k0f h PHE 8 Cb 0.55 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 2k0f h PHE 8 CO 0.01 1.33 0.54 -0.22 -0.60 0.00 0.00 178.31 179.37 2k0f h LYS 9 N 0.40 0.15 0.00 1.51 1.63 -0.48 -0.56 116.57 119.22 2k0f h LYS 9 Ca -0.09 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 2k0f h LYS 9 Cb 1.51 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.08 2k0f h LYS 9 CO 0.17 0.10 -0.65 1.49 -3.45 0.00 0.00 179.45 177.11 2k0f h GLU 10 N 0.16 0.00 0.00 1.90 4.57 -1.32 -2.88 114.58 117.01 2k0f h GLU 10 Ca 0.38 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.37 2k0f h GLU 10 Cb 1.27 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 2k0f h GLU 10 CO -0.06 0.65 -1.13 0.00 -1.18 0.00 0.00 179.01 177.29 2k0f h ALA 11 N 1.35 0.60 -0.39 2.92 0.00 -1.22 -3.20 119.26 119.31 2k0f h ALA 11 Ca -0.01 -0.90 0.11 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 11 Cb 1.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 11 CO 0.09 1.09 0.33 0.35 0.00 0.00 0.00 179.25 181.10 2k0f h PHE 12 N 0.00 0.00 0.00 0.00 3.57 -0.97 -1.40 116.94 118.14 2k0f h PHE 12 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 12 Cb 1.68 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.42 2k0f h PHE 12 CO 0.00 0.00 0.00 0.77 -2.23 0.00 0.00 178.31 176.85 2k0f h SER 13 N 0.00 0.00 0.08 0.41 0.02 -1.52 0.34 113.55 112.88 2k0f h SER 13 Ca 0.19 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.86 2k0f h SER 13 Cb 0.85 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k0f h SER 13 CO -0.00 0.00 -1.12 -0.07 -1.14 0.00 0.00 176.83 174.50 2k0f h LEU 14 N 0.00 0.87 0.31 5.07 3.38 -1.37 -3.35 115.31 120.23 2k0f h LEU 14 Ca 0.00 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 2k0f h LEU 14 Cb 0.57 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k0f h LEU 14 CO 0.00 1.55 -0.15 -0.26 0.09 0.00 0.00 178.44 179.67 2k0f h PHE 15 N 0.34 -0.39 -2.79 1.13 0.04 -1.56 -3.44 116.94 110.27 2k0f h PHE 15 Ca -0.15 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 15 Cb 1.78 0.13 -0.03 0.00 2.20 0.00 0.00 35.95 40.03 2k0f h PHE 15 CO 0.10 -0.05 1.23 0.34 -0.60 0.00 0.00 178.31 179.33 2k0f s ASP 16 N -5.12 5.98 -0.05 2.17 2.15 0.10 -4.70 116.67 117.19 2k0f s ASP 16 Ca -0.13 1.13 -0.22 0.00 0.43 0.00 0.00 52.55 53.76 2k0f s ASP 16 Cb 0.01 -2.53 -0.31 0.00 -0.30 0.00 0.00 42.92 39.79 2k0f s ASP 16 CO 0.47 -1.67 0.89 0.11 -0.17 0.00 0.00 175.17 174.80 2k0f h LYS 17 N 12.39 0.29 -0.42 4.34 1.79 -1.85 -3.37 116.57 129.74 2k0f h LYS 17 Ca -0.32 -0.49 -0.02 0.00 -2.18 0.00 0.00 60.65 57.64 2k0f h LYS 17 Cb 1.15 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.97 2k0f h LYS 17 CO 1.05 1.24 0.17 -0.44 -1.08 0.00 0.00 179.45 180.39 2k0f h ASP 18 N -0.40 0.57 -1.31 0.86 3.32 -1.92 -3.48 116.42 114.06 2k0f h ASP 18 Ca -0.14 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2k0f h ASP 18 Cb 1.62 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2k0f h ASP 18 CO 0.15 0.57 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 2k0f n GLY 19 N -0.79 0.76 0.13 2.75 0.00 -1.26 -5.00 105.19 101.78 2k0f n GLY 19 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.52 1.97 0.00 1.61 5.75 -1.26 -5.02 116.55 120.11 2k0f n ASP 20 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 2k0f n ASP 20 Cb 0.47 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.63 0.54 3.27 6.12 0.00 -1.26 -5.10 105.19 110.39 2k0f n GLY 21 Ca -0.46 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 1.81 -0.24 2.61 -4.23 -1.26 -2.07 115.64 112.26 2k0f s THR 22 Ca 0.00 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 2k0f s THR 22 Cb 0.00 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 2k0f s THR 22 CO 0.00 0.31 0.13 -0.63 -0.54 0.00 0.00 174.62 173.90 2k0f s ILE 23 N -0.74 5.08 0.81 2.99 1.01 -0.81 -4.72 121.20 124.83 2k0f s ILE 23 Ca 0.09 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 2k0f s ILE 23 Cb -0.09 -3.37 0.14 0.00 0.01 0.00 0.00 42.46 39.15 2k0f s ILE 23 CO 0.01 0.35 1.13 0.42 0.00 0.00 0.00 174.94 176.85 2k0f s THR 24 N 1.12 2.11 0.27 2.92 -4.23 -1.26 -3.22 115.64 113.36 2k0f s THR 24 Ca 0.06 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 24 Cb -0.14 -2.83 0.25 0.00 1.34 0.00 0.00 72.50 71.12 2k0f s THR 24 CO 0.05 0.00 1.94 0.71 -0.54 0.00 0.00 174.62 176.77 2k0f h THR 25 N -0.99 1.24 -0.29 3.99 1.35 -1.89 -2.99 112.91 113.32 2k0f h THR 25 Ca -0.41 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 2k0f h THR 25 Cb 1.27 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 2k0f h THR 25 CO 0.44 0.24 0.05 0.50 -0.25 0.00 0.00 175.52 176.50 2k0f h LYS 26 N 1.22 0.47 -0.38 4.72 1.63 -1.98 -2.27 116.57 119.98 2k0f h LYS 26 Ca 0.32 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 2k0f h LYS 26 Cb -0.11 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.39 2k0f h LYS 26 CO -0.07 0.57 -0.14 0.93 -3.45 0.00 0.00 179.45 177.29 2k0f h GLU 27 N 0.29 -0.06 -0.40 1.90 5.08 -1.86 -1.77 114.58 117.76 2k0f h GLU 27 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 0.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 27 CO 0.00 -0.04 -0.16 1.25 -1.00 0.00 0.00 179.01 179.06 2k0f h LEU 28 N -0.07 0.83 -0.91 1.33 5.85 -1.53 -2.77 115.31 118.05 2k0f h LEU 28 Ca 0.19 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2k0f h LEU 28 Cb 0.35 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2k0f h LEU 28 CO -0.42 1.04 -0.49 1.23 -0.34 0.00 0.00 178.44 179.46 2k0f h GLY 29 N 0.62 0.00 1.00 3.75 0.00 -1.10 -2.17 103.07 105.17 2k0f h GLY 29 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2k0f h GLY 29 CO 0.05 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.35 2k0f h THR 30 N 0.00 0.19 0.34 4.70 2.02 -1.12 0.72 112.91 119.76 2k0f h THR 30 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2k0f h THR 30 Cb 0.96 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2k0f h THR 30 CO 0.06 0.00 -0.25 0.58 0.37 0.00 0.00 175.52 176.28 2k0f h VAL 31 N -1.10 0.47 0.08 3.16 2.07 -1.50 -1.74 116.25 117.68 2k0f h VAL 31 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2k0f h VAL 31 Cb 0.85 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2k0f h VAL 31 CO 0.18 0.00 -0.48 0.24 0.02 0.00 0.00 177.57 177.52 2k0f h MET 32 N -0.59 -0.66 -0.02 1.57 2.86 -1.42 -1.89 114.93 114.78 2k0f h MET 32 Ca -0.03 0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 32 Cb 0.51 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 32 CO 0.00 -0.44 -0.87 0.00 1.06 0.00 0.00 176.91 176.67 2k0f h ARG 33 N -0.68 0.33 -0.42 1.72 3.08 -0.81 0.27 114.38 117.87 2k0f h ARG 33 Ca 0.02 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.80 2k0f h ARG 33 Cb 0.72 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2k0f h ARG 33 CO -0.30 1.01 0.06 0.77 -1.07 0.00 0.00 179.97 180.45 2k0f h SER 34 N 0.19 -0.04 0.13 7.04 0.02 -1.22 -2.98 113.55 116.69 2k0f h SER 34 Ca -0.06 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2k0f h SER 34 Cb 1.48 0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2k0f h SER 34 CO 0.14 0.02 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.72 2k0f h LEU 35 N 0.19 -0.15 0.00 5.07 3.38 -0.81 -3.47 115.31 119.53 2k0f h LEU 35 Ca 0.21 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k0f h LEU 35 Cb 0.27 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k0f h LEU 35 CO -0.29 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2k0f n GLY 36 N 0.08 -0.61 2.80 0.83 0.00 0.89 -5.10 105.19 104.08 2k0f n GLY 36 Ca -0.09 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.49 -0.82 1.61 -1.52 -0.84 -4.96 119.66 113.62 2k0f s GLN 37 Ca 0.00 0.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.51 2k0f s GLN 37 Cb 0.00 -0.75 0.24 0.00 -0.22 0.00 0.00 33.01 32.28 2k0f s GLN 37 CO 0.00 -0.21 0.88 0.09 -0.25 0.00 0.00 175.29 175.80 2k0f n ASN 38 N 4.65 4.38 -4.30 5.90 3.02 -1.26 -3.19 115.26 124.45 2k0f n ASN 38 Ca -0.16 -3.31 -0.29 0.00 -0.03 0.00 0.00 54.58 50.79 2k0f n ASN 38 Cb 0.50 -0.93 0.21 0.00 -0.61 0.00 0.00 39.78 38.96 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -2.08 -0.43 0.80 3.52 0.04 -1.26 -5.08 135.00 130.51 2k0f s PRO 39 Ca 0.33 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.59 2k0f s PRO 39 Cb 0.04 -1.66 0.15 0.00 0.04 0.00 0.00 34.50 33.07 2k0f s PRO 39 CO -0.04 -3.25 1.10 0.95 0.04 0.00 0.00 177.00 175.79 2k0f s THR 40 N -2.94 2.08 0.14 1.26 -4.23 -1.26 -4.99 115.64 105.70 2k0f s THR 40 Ca 0.68 -0.42 0.15 0.00 -1.18 0.00 0.00 61.69 60.91 2k0f s THR 40 Cb -0.15 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.07 2k0f s THR 40 CO 0.57 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 176.18 2k0f h GLU 41 N -0.87 0.00 -0.34 3.99 4.81 -1.99 -2.72 114.58 117.46 2k0f h GLU 41 Ca -0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2k0f h GLU 41 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2k0f h GLU 41 CO 0.39 0.53 0.16 0.00 -0.73 0.00 0.00 179.01 179.36 2k0f h ALA 42 N 1.47 0.44 0.03 2.92 0.00 -2.00 -2.74 119.26 119.38 2k0f h ALA 42 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 42 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 42 CO 0.07 -0.00 -0.16 0.93 0.00 0.00 0.00 179.25 180.08 2k0f h GLU 43 N 0.41 -0.27 -0.98 0.00 5.08 -1.94 -3.03 114.58 113.85 2k0f h GLU 43 Ca 0.12 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.73 2k0f h GLU 43 Cb 0.12 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 43 CO -0.01 -0.18 0.64 -0.07 -1.00 0.00 0.00 179.01 178.38 2k0f h LEU 44 N -0.28 0.46 -0.29 1.33 3.38 -1.38 -0.47 115.31 118.05 2k0f h LEU 44 Ca 0.04 0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 44 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 44 CO -0.14 0.14 -0.81 1.56 0.09 0.00 0.00 178.44 179.28 2k0f h GLN 45 N 0.43 0.47 -0.10 1.13 4.20 -1.40 -3.04 115.11 116.80 2k0f h GLN 45 Ca 0.53 -0.42 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 2k0f h GLN 45 Cb 1.30 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2k0f h GLN 45 CO -0.24 1.06 -0.77 0.22 -0.67 0.00 0.00 178.83 178.43 2k0f h ASP 46 N 0.30 0.67 -0.67 1.46 3.58 -1.26 -1.34 116.42 119.16 2k0f h ASP 46 Ca -0.05 -0.45 0.12 0.00 0.42 0.00 0.00 57.03 57.07 2k0f h ASP 46 Cb 1.42 -0.20 -0.09 0.00 1.72 0.00 0.00 39.33 42.18 2k0f h ASP 46 CO 0.14 1.22 0.23 0.24 -2.88 0.00 0.00 179.24 178.20 2k0f h MET 47 N 0.38 0.38 0.11 0.28 2.86 -1.21 -3.03 114.93 114.69 2k0f h MET 47 Ca -0.05 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 47 Cb 1.37 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.96 2k0f h MET 47 CO 0.14 0.25 -0.74 0.82 1.06 0.00 0.00 176.91 178.45 2k0f h ILE 48 N 0.39 1.49 0.00 -1.22 2.04 -1.31 -3.28 117.51 115.62 2k0f h ILE 48 Ca 0.35 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2k0f h ILE 48 Cb 0.50 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2k0f h ILE 48 CO -0.37 0.68 0.00 0.59 0.00 0.00 0.00 178.15 179.05 2k0f n ASN 49 N -4.21 0.24 0.05 1.72 3.02 -0.55 -0.56 115.26 114.96 2k0f n ASN 49 Ca -0.15 0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 54.86 2k0f n ASN 49 Cb 0.76 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.45 0.00 3.52 4.81 -1.59 -3.34 114.58 118.42 2k0f h GLU 50 Ca 0.00 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 50 Cb 0.18 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 50 CO 0.00 1.03 -1.89 1.33 -0.73 0.00 0.00 179.01 178.75 2k0f n VAL 51 N -3.83 0.21 -1.60 0.32 0.24 -0.67 -4.95 118.33 108.05 2k0f n VAL 51 Ca -0.05 -0.47 -0.56 0.00 -2.04 0.00 0.00 64.34 61.22 2k0f n VAL 51 Cb 0.74 -0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.22 1.31 -0.09 -1.34 -0.08 0.27 -4.93 116.55 109.48 2k0f n ASP 52 Ca -0.08 1.13 -0.16 0.00 -1.51 0.00 0.00 54.79 54.17 2k0f n ASP 52 Cb 0.58 -1.09 -0.09 0.00 2.34 0.00 0.00 41.12 42.86 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0f h ALA 53 N 4.64 0.15 0.45 -1.67 0.00 -1.91 -3.43 119.26 117.49 2k0f h ALA 53 Ca -0.48 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 53.55 2k0f h ALA 53 Cb 1.36 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2k0f h ALA 53 CO 0.79 0.48 -0.22 0.38 0.00 0.00 0.00 179.25 180.69 2k0f h ASP 54 N -1.00 -0.51 0.00 0.00 3.04 -1.93 -3.48 116.42 112.53 2k0f h ASP 54 Ca -0.19 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2k0f h ASP 54 Cb 1.00 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2k0f h ASP 54 CO -0.12 -0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.61 2k0f n GLY 55 N 0.15 1.67 0.31 7.15 0.00 -1.26 -5.03 105.19 108.18 2k0f n GLY 55 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.66 0.00 1.61 7.08 -1.97 -3.47 115.58 119.48 2k0f h ASN 56 Ca 0.00 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2k0f h ASN 56 Cb 0.00 -0.17 0.00 0.00 -2.08 0.00 0.00 38.32 36.07 2k0f h ASN 56 CO 0.00 0.57 0.00 0.61 -2.08 0.00 0.00 177.43 176.53 2k0f n GLY 57 N -1.17 0.96 3.37 9.14 0.00 -1.26 -5.12 105.19 111.10 2k0f n GLY 57 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.76 -0.36 2.61 -4.23 -1.26 -4.87 115.64 107.28 2k0f s THR 58 Ca 0.00 -2.21 -0.22 0.00 -1.18 0.00 0.00 61.69 58.08 2k0f s THR 58 Cb 0.00 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2k0f s THR 58 CO 0.00 -0.53 0.73 -0.51 -0.54 0.00 0.00 174.62 173.76 2k0f s ILE 59 N -2.96 4.79 0.64 2.99 2.07 -1.20 -4.72 121.20 122.82 2k0f s ILE 59 Ca 0.24 0.75 -0.04 0.00 -1.41 0.00 0.00 60.65 60.19 2k0f s ILE 59 Cb -0.00 -4.16 0.05 0.00 0.13 0.00 0.00 42.46 38.47 2k0f s ILE 59 CO 0.08 -0.39 0.93 -1.81 -1.91 0.00 0.00 174.94 171.84 2k0f s ASP 60 N 1.83 5.05 0.25 4.50 1.11 -1.26 -1.93 116.67 126.22 2k0f s ASP 60 Ca 0.29 0.36 -0.03 0.00 0.18 0.00 0.00 52.55 53.34 2k0f s ASP 60 Cb -0.14 -1.13 0.49 0.00 1.07 0.00 0.00 42.92 43.21 2k0f s ASP 60 CO 0.16 -1.39 1.71 0.15 1.18 0.00 0.00 175.17 176.98 2k0f h PHE 61 N -0.35 0.47 -0.00 4.23 3.57 -1.83 -2.60 116.94 120.43 2k0f h PHE 61 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.30 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 61 CO 0.36 0.01 -0.12 -0.35 -2.23 0.00 0.00 178.31 175.99 2k0f n PRO 62 N -5.05 0.43 -0.08 6.41 -0.04 -1.26 -1.44 135.00 133.97 2k0f n PRO 62 Ca 0.15 -0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 2k0f n PRO 62 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.30 0.00 -0.86 0.54 5.08 -1.85 -2.73 114.58 115.06 2k0f h GLU 63 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 63 Cb 0.39 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 63 CO 0.00 0.72 -0.42 0.35 -1.00 0.00 0.00 179.01 178.67 2k0f h PHE 64 N -1.00 -1.21 -0.81 4.33 3.04 -1.47 -1.27 116.94 118.55 2k0f h PHE 64 Ca -0.16 0.10 0.16 0.00 3.98 0.00 0.00 57.97 62.05 2k0f h PHE 64 Cb 0.95 0.65 -0.15 0.00 2.56 0.00 0.00 35.95 39.96 2k0f h PHE 64 CO 0.08 -0.40 -0.22 -0.07 -2.02 0.00 0.00 178.31 175.68 2k0f h LEU 65 N -0.07 -0.81 -0.38 0.59 3.38 -1.36 -2.13 115.31 114.54 2k0f h LEU 65 Ca 0.27 0.25 -0.19 0.00 0.09 0.00 0.00 57.88 58.30 2k0f h LEU 65 Cb 0.56 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k0f h LEU 65 CO -0.88 -0.27 -0.75 0.74 0.09 0.00 0.00 178.44 177.37 2k0f h THR 66 N -0.01 1.38 0.27 0.22 2.02 -1.14 -1.31 112.91 114.34 2k0f h THR 66 Ca 0.38 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2k0f h THR 66 Cb 0.59 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 2k0f h THR 66 CO -0.84 0.65 -0.32 -0.03 0.37 0.00 0.00 175.52 175.35 2k0f h MET 67 N 0.27 -0.62 0.00 6.66 1.85 -0.98 -1.71 114.93 120.40 2k0f h MET 67 Ca -0.04 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2k0f h MET 67 Cb 1.33 0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.50 2k0f h MET 67 CO 0.13 -0.41 0.00 -1.33 -0.40 0.00 0.00 176.91 174.90 2k0f n MET 68 N -5.43 0.22 0.06 0.39 2.81 -0.82 -3.05 117.12 111.30 2k0f n MET 68 Ca -0.09 0.40 -0.04 0.00 -1.81 0.00 0.00 57.70 56.16 2k0f n MET 68 Cb 0.34 -1.88 -0.08 0.00 -0.71 0.00 0.00 33.22 30.89 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f h ALA 69 N 2.30 0.56 -1.95 3.04 0.00 -0.92 -3.45 119.26 118.85 2k0f h ALA 69 Ca 0.00 -0.88 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 2k0f h ALA 69 Cb 0.44 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2k0f h ALA 69 CO 0.00 1.09 1.04 0.50 0.00 0.00 0.00 179.25 181.88 2k0f s ARG 70 N -2.79 3.80 0.56 0.00 3.52 -0.67 -4.99 118.95 118.38 2k0f s ARG 70 Ca 0.00 1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 56.78 2k0f s ARG 70 Cb 0.09 -3.96 -0.06 0.00 -1.56 0.00 0.00 34.95 29.46 2k0f s ARG 70 CO 0.80 -1.28 1.00 0.15 -0.81 0.00 0.00 175.30 175.16 2k0f s LYS 71 N 4.50 3.77 0.00 5.12 1.02 -1.26 -4.97 119.74 127.91 2k0f s LYS 71 Ca 0.62 0.82 0.00 0.00 0.02 0.00 0.00 55.97 57.44 2k0f s LYS 71 Cb -0.19 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2k0f s LYS 71 CO 0.27 -0.40 0.00 -1.33 -0.92 0.00 0.00 175.35 172.97 2k0f n MET 72 N -2.14 1.74 0.00 1.68 2.81 -1.26 -5.15 117.12 114.80 2k0f n MET 72 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2k0f n MET 72 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 2k0f n MET 72 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k0f n LYS 73 N -0.30 0.87 0.12 0.03 5.02 -1.26 -4.93 118.16 117.71 2k0f n LYS 73 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2k0f n LYS 73 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 2k0f n LYS 73 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0f h ASP 74 N -0.04 -0.28 -0.93 4.39 2.03 -2.01 -3.31 116.42 116.26 2k0f h ASP 74 Ca 0.00 0.01 0.16 0.00 -0.73 0.00 0.00 57.03 56.47 2k0f h ASP 74 Cb 0.00 0.07 -0.10 0.00 -0.83 0.00 0.00 39.33 38.48 2k0f h ASP 74 CO 0.00 -0.04 0.54 0.74 -1.03 0.00 0.00 179.24 179.45 2k0f h THR 75 N -0.66 0.76 0.39 1.15 2.02 -1.99 -2.59 112.91 111.98 2k0f h THR 75 Ca -0.03 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2k0f h THR 75 Cb 0.26 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2k0f h THR 75 CO 0.06 0.14 -0.19 0.44 0.37 0.00 0.00 175.52 176.34 2k0f h ASP 76 N 0.74 -0.44 0.75 4.18 3.32 -1.97 -0.84 116.42 122.17 2k0f h ASP 76 Ca 0.51 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 2k0f h ASP 76 Cb 0.71 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 2k0f h ASP 76 CO -0.35 -0.22 -0.05 0.28 -1.72 0.00 0.00 179.24 177.18 2k0f h SER 77 N -0.64 0.00 0.10 6.45 0.02 -1.59 -0.55 113.55 117.34 2k0f h SER 77 Ca -0.05 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 77 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2k0f h SER 77 CO 0.09 0.05 -0.68 -0.08 -1.14 0.00 0.00 176.83 175.06 2k0f h GLU 78 N 0.00 0.22 -0.19 3.45 4.57 -1.29 -3.33 114.58 118.00 2k0f h GLU 78 Ca -0.00 -0.37 -0.09 0.00 -1.18 0.00 0.00 59.36 57.72 2k0f h GLU 78 Cb 0.44 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2k0f h GLU 78 CO 0.01 1.18 -0.27 1.49 -1.18 0.00 0.00 179.01 180.23 2k0f h GLU 79 N -0.53 0.37 -0.92 1.92 4.57 -0.71 -2.72 114.58 116.55 2k0f h GLU 79 Ca -0.13 -0.14 0.15 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 79 Cb 1.49 -0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 29.90 2k0f h GLU 79 CO 0.10 0.61 -0.34 1.49 -1.18 0.00 0.00 179.01 179.69 2k0f h GLU 80 N 0.32 -0.03 0.05 1.92 4.81 -1.26 -1.77 114.58 118.63 2k0f h GLU 80 Ca 0.05 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 80 Cb 0.66 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2k0f h GLU 80 CO 0.05 -0.02 -1.46 0.97 -0.73 0.00 0.00 179.01 177.83 2k0f h ILE 81 N -0.03 1.20 -0.46 2.32 2.10 -1.59 -2.36 117.51 118.69 2k0f h ILE 81 Ca 0.35 -2.92 0.06 0.00 1.08 0.00 0.00 64.86 63.43 2k0f h ILE 81 Cb 0.61 2.68 -0.05 0.00 -1.09 0.00 0.00 36.82 38.97 2k0f h ILE 81 CO -0.94 0.77 0.18 0.03 -1.08 0.00 0.00 178.15 177.11 2k0f h ARG 82 N 0.03 0.35 0.00 2.19 3.08 -1.43 -2.44 114.38 116.16 2k0f h ARG 82 Ca -0.20 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2k0f h ARG 82 Cb 1.95 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.92 2k0f h ARG 82 CO 0.13 0.23 -0.13 0.93 -1.07 0.00 0.00 179.97 180.06 2k0f h GLU 83 N 0.36 0.00 0.00 0.04 4.39 -1.28 -0.57 114.58 117.53 2k0f h GLU 83 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2k0f h GLU 83 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k0f h GLU 83 CO -0.21 0.13 0.00 0.00 -1.16 0.00 0.00 179.01 177.77 2k0f h ALA 84 N 1.87 1.00 0.10 3.43 0.00 -1.23 -2.23 119.26 122.20 2k0f h ALA 84 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 84 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 84 CO 0.02 0.00 -1.95 0.34 0.00 0.00 0.00 179.25 177.66 2k0f n PHE 85 N -2.94 1.20 0.01 0.00 7.35 -0.59 -3.98 117.46 118.51 2k0f n PHE 85 Ca 0.03 0.28 -0.11 0.00 -0.76 0.00 0.00 57.45 56.89 2k0f n PHE 85 Cb 0.42 -1.17 0.03 0.00 0.35 0.00 0.00 39.48 39.11 2k0f n PHE 85 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2k0f h ARG 86 N 0.06 0.54 0.00 -4.13 2.43 -0.99 -1.60 114.38 110.69 2k0f h ARG 86 Ca -0.40 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.32 2k0f h ARG 86 Cb 2.03 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.63 2k0f h ARG 86 CO 0.09 1.00 -0.43 -0.24 -1.51 0.00 0.00 179.97 178.88 2k0f h VAL 87 N 0.40 0.50 0.07 0.20 3.04 -1.61 -3.35 116.25 115.50 2k0f h VAL 87 Ca -0.01 -1.72 -0.21 0.00 -1.01 0.00 0.00 66.70 63.74 2k0f h VAL 87 Cb 1.19 2.20 0.02 0.00 -2.01 0.00 0.00 31.29 32.70 2k0f h VAL 87 CO 0.12 0.28 -0.88 0.15 -1.01 0.00 0.00 177.57 176.23 2k0f h PHE 88 N 0.00 0.75 -3.14 3.17 3.04 -1.64 -3.41 116.94 115.71 2k0f h PHE 88 Ca -0.01 -0.46 -0.57 0.00 3.98 0.00 0.00 57.97 60.91 2k0f h PHE 88 Cb 1.25 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.64 2k0f h PHE 88 CO 0.00 1.31 1.01 0.34 -2.02 0.00 0.00 178.31 178.94 2k0f s ASP 89 N -7.04 6.57 -0.04 0.41 2.15 -0.62 -4.83 116.67 113.27 2k0f s ASP 89 Ca -0.12 1.16 -0.25 0.00 0.43 0.00 0.00 52.55 53.77 2k0f s ASP 89 Cb 0.04 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 89 CO 0.87 -1.17 1.16 0.50 -0.17 0.00 0.00 175.17 176.35 2k0f h LYS 90 N 9.73 -0.05 0.00 4.34 1.63 -1.86 -3.42 116.57 126.94 2k0f h LYS 90 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2k0f h LYS 90 Cb 1.10 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2k0f h LYS 90 CO 1.04 0.47 0.00 -0.40 -3.45 0.00 0.00 179.45 177.11 2k0f n ASP 91 N -4.86 0.00 0.00 4.20 5.68 -1.26 -5.04 116.55 115.27 2k0f n ASP 91 Ca -0.09 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 2k0f n ASP 91 Cb 0.28 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 1.59 -0.39 0.41 6.12 0.00 -1.26 -5.03 105.19 106.62 2k0f n GLY 92 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 1.69 0.00 1.61 0.23 -1.26 -4.97 115.26 112.56 2k0f n ASN 93 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 2k0f n ASN 93 Cb 0.00 0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.40 0.45 2.87 4.83 0.00 -1.26 -5.04 105.19 108.44 2k0f n GLY 94 Ca 0.10 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.86 -0.19 1.61 2.02 -1.26 -4.31 117.35 114.08 2k0f s TYR 95 Ca 0.00 -0.28 -0.27 0.00 -0.37 0.00 0.00 57.07 56.15 2k0f s TYR 95 Cb 0.00 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2k0f s TYR 95 CO 0.00 -0.27 0.91 0.42 -1.57 0.00 0.00 175.55 175.03 2k0f s ILE 96 N 1.29 4.81 0.72 2.71 1.01 -0.13 -4.88 121.20 126.73 2k0f s ILE 96 Ca -0.05 1.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.37 2k0f s ILE 96 Cb -0.14 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 96 CO -0.02 -0.04 0.99 -0.94 0.00 0.00 0.00 174.94 174.93 2k0f s SER 97 N 1.19 4.35 0.40 3.58 1.04 -1.26 -0.71 113.70 122.29 2k0f s SER 97 Ca 0.40 -0.37 0.21 0.00 0.48 0.00 0.00 55.95 56.67 2k0f s SER 97 Cb -0.16 -0.01 0.78 0.00 0.10 0.00 0.00 66.02 66.73 2k0f s SER 97 CO 0.11 -1.86 1.78 0.00 0.98 0.00 0.00 173.24 174.24 2k0f h ALA 98 N -0.52 1.02 0.23 5.32 0.00 -1.97 -1.70 119.26 121.64 2k0f h ALA 98 Ca -0.36 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 53.94 2k0f h ALA 98 Cb 1.27 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 98 CO 0.40 0.40 -1.42 0.00 0.00 0.00 0.00 179.25 178.63 2k0f h ALA 99 N 1.68 -0.12 -0.99 0.00 0.00 -1.98 -1.10 119.26 116.75 2k0f h ALA 99 Ca -0.00 -0.87 0.20 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 99 Cb 0.83 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 99 CO 0.04 0.68 0.61 0.93 0.00 0.00 0.00 179.25 181.52 2k0f h GLU 100 N 0.07 0.67 -0.03 0.00 5.08 -1.91 -1.99 114.58 116.46 2k0f h GLU 100 Ca -0.25 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 100 Cb 2.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 2k0f h GLU 100 CO 0.25 0.44 -0.05 1.25 -1.00 0.00 0.00 179.01 179.90 2k0f h LEU 101 N 0.69 0.10 -0.86 1.33 5.85 -1.14 -3.09 115.31 118.19 2k0f h LEU 101 Ca 0.56 -0.53 0.21 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 101 Cb 0.98 -0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 101 CO -0.34 0.61 -0.02 0.03 -0.34 0.00 0.00 178.44 178.37 2k0f h ARG 102 N -0.41 0.06 -0.13 1.25 3.08 -1.07 -0.15 114.38 117.01 2k0f h ARG 102 Ca 0.00 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2k0f h ARG 102 Cb 0.58 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 2k0f h ARG 102 CO 0.01 0.04 -0.43 0.45 -1.07 0.00 0.00 179.97 178.97 2k0f h HIS 103 N 0.06 -1.29 -0.99 3.04 3.86 -1.42 0.18 115.15 118.59 2k0f h HIS 103 Ca 0.48 0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.84 2k0f h HIS 103 Cb 0.88 0.58 -0.08 0.00 1.06 0.00 0.00 27.41 29.85 2k0f h HIS 103 CO -0.49 -0.42 0.63 0.28 0.86 0.00 0.00 177.93 178.78 2k0f h VAL 104 N -0.44 0.96 -0.11 2.45 2.07 -1.19 0.30 116.25 120.28 2k0f h VAL 104 Ca 0.03 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 2k0f h VAL 104 Cb 0.53 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2k0f h VAL 104 CO -0.36 0.19 -0.45 0.24 0.02 0.00 0.00 177.57 177.21 2k0f h MET 105 N 1.03 0.27 0.11 1.57 2.07 -1.02 -1.94 114.93 117.02 2k0f h MET 105 Ca 0.48 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.96 2k0f h MET 105 Cb 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 2k0f h MET 105 CO -0.24 0.67 -0.05 1.15 1.07 0.00 0.00 176.91 179.50 2k0f h THR 106 N 0.22 1.09 -0.70 2.22 2.02 0.63 -1.02 112.91 117.37 2k0f h THR 106 Ca 0.02 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2k0f h THR 106 Cb 0.88 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 2k0f h THR 106 CO 0.07 0.24 0.44 0.78 0.37 0.00 0.00 175.52 177.42 2k0f h ASN 107 N -0.67 0.82 1.78 4.18 -0.26 -0.40 -2.03 115.58 119.00 2k0f h ASN 107 Ca -0.02 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2k0f h ASN 107 Cb 0.52 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 2k0f h ASN 107 CO 0.03 0.62 0.00 -0.07 -1.06 0.00 0.00 177.43 176.94 2k0f h LEU 108 N 0.96 0.00 -1.19 1.61 3.38 -1.46 -3.43 115.31 115.18 2k0f h LEU 108 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2k0f h LEU 108 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k0f h LEU 108 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2k0f n GLY 109 N 0.98 0.53 3.90 0.83 0.00 -0.76 -4.72 105.19 105.96 2k0f n GLY 109 Ca 0.04 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -2.34 3.59 -1.31 1.61 0.41 -0.40 -4.99 118.70 115.27 2k0f s GLU 110 Ca 0.00 0.25 -0.18 0.00 -0.41 0.00 0.00 54.97 54.63 2k0f s GLU 110 Cb 0.00 -2.38 0.04 0.00 -1.78 0.00 0.00 34.13 30.00 2k0f s GLU 110 CO 0.00 -0.16 1.89 1.63 -0.49 0.00 0.00 175.26 178.12 2k0f n LYS 111 N -2.04 2.89 -1.91 1.61 5.02 -1.26 -4.80 118.16 117.67 2k0f n LYS 111 Ca 0.01 -2.98 -0.40 0.00 -2.02 0.00 0.00 58.31 52.92 2k0f n LYS 111 Cb 0.55 -3.45 -0.03 0.00 -0.02 0.00 0.00 35.03 32.08 2k0f n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k0f s LEU 112 N 4.27 3.39 0.29 -0.35 2.96 -1.26 -4.98 118.68 123.00 2k0f s LEU 112 Ca 0.54 0.87 0.10 0.00 -0.22 0.00 0.00 54.13 55.42 2k0f s LEU 112 Cb 0.06 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 2k0f s LEU 112 CO 0.05 -2.25 -0.00 0.42 -1.32 0.00 0.00 176.35 173.24 2k0f s THR 113 N 8.98 3.11 0.13 3.68 -4.23 -1.26 -5.04 115.64 121.01 2k0f s THR 113 Ca 0.79 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 2k0f s THR 113 Cb -0.18 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 2k0f s THR 113 CO 0.27 -0.31 1.56 0.44 -0.54 0.00 0.00 174.62 176.03 2k0f h ASP 114 N 1.87 0.76 -1.00 3.99 3.32 -2.00 -2.88 116.42 120.48 2k0f h ASP 114 Ca -0.43 -0.33 0.30 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 114 Cb 1.25 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 2k0f h ASP 114 CO 0.62 0.91 0.56 -0.08 -1.72 0.00 0.00 179.24 179.53 2k0f h GLU 115 N 0.59 0.38 -0.06 3.56 4.81 -1.99 -1.29 114.58 120.60 2k0f h GLU 115 Ca 0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 115 Cb 0.54 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 115 CO 0.03 0.25 -0.05 0.93 -0.73 0.00 0.00 179.01 179.45 2k0f h GLU 116 N 0.39 0.13 0.38 1.92 4.39 -1.90 -2.80 114.58 117.10 2k0f h GLU 116 Ca 0.70 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.32 2k0f h GLU 116 Cb 1.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2k0f h GLU 116 CO -0.57 0.56 -0.18 0.28 -1.16 0.00 0.00 179.01 177.93 2k0f h VAL 117 N -0.29 0.63 -0.84 3.13 2.07 -1.45 -2.66 116.25 116.83 2k0f h VAL 117 Ca 0.01 -0.25 0.20 0.00 0.82 0.00 0.00 66.70 67.48 2k0f h VAL 117 Cb 0.53 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 30.93 2k0f h VAL 117 CO 0.01 0.05 0.27 -0.78 0.02 0.00 0.00 177.57 177.14 2k0f h ASP 118 N -0.66 0.11 -0.85 0.57 3.58 -1.40 -0.67 116.42 117.10 2k0f h ASP 118 Ca -0.05 0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2k0f h ASP 118 Cb 0.47 0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 2k0f h ASP 118 CO 0.09 -0.06 0.55 -0.08 -2.88 0.00 0.00 179.24 176.86 2k0f h GLU 119 N 0.30 1.04 -0.02 0.28 4.81 -1.20 -2.66 114.58 117.13 2k0f h GLU 119 Ca 0.51 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 119 Cb 0.95 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 30.11 2k0f h GLU 119 CO -0.56 0.69 -0.99 0.52 -0.73 0.00 0.00 179.01 177.94 2k0f h MET 120 N 1.07 0.65 -0.06 1.92 2.86 -0.83 -3.15 114.93 117.39 2k0f h MET 120 Ca 0.34 -0.67 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 2k0f h MET 120 Cb -0.00 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2k0f h MET 120 CO -0.11 1.27 -0.02 0.82 1.06 0.00 0.00 176.91 179.93 2k0f h ILE 121 N 0.38 1.30 -0.25 -1.22 1.08 -1.43 -2.08 117.51 115.28 2k0f h ILE 121 Ca -0.11 -0.93 0.07 0.00 -0.39 0.00 0.00 64.86 63.50 2k0f h ILE 121 Cb 1.64 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 2k0f h ILE 121 CO 0.19 0.26 0.19 0.03 -0.69 0.00 0.00 178.15 178.12 2k0f h ARG 122 N -0.23 0.00 -0.11 2.37 3.08 -1.58 -1.80 114.38 116.12 2k0f h ARG 122 Ca 0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 2k0f h ARG 122 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 122 CO 0.01 0.00 -0.75 1.49 -1.07 0.00 0.00 179.97 179.64 2k0f h GLU 123 N 0.00 0.55 0.00 0.04 4.81 -1.47 -3.32 114.58 115.19 2k0f h GLU 123 Ca 0.12 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 123 Cb 0.49 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 123 CO -0.00 1.08 -1.08 0.00 -0.73 0.00 0.00 179.01 178.28 2k0f n ALA 124 N -2.55 2.91 -2.64 2.92 0.00 -0.80 -4.76 120.51 115.60 2k0f n ALA 124 Ca -0.06 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 2k0f n ALA 124 Cb 0.73 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -4.60 6.16 -0.24 0.00 2.15 -0.73 -4.78 116.67 114.63 2k0f s ASP 125 Ca 0.01 0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.14 2k0f s ASP 125 Cb 0.12 -2.14 -0.18 0.00 -0.30 0.00 0.00 42.92 40.42 2k0f s ASP 125 CO 0.80 -0.01 -0.14 -0.38 -0.17 0.00 0.00 175.17 175.27 2k0f n ILE 126 N 4.55 1.54 0.01 4.11 5.41 -1.26 -4.72 119.36 129.00 2k0f n ILE 126 Ca -0.13 -0.56 -0.01 0.00 1.00 0.00 0.00 62.75 63.05 2k0f n ILE 126 Cb 0.52 -1.51 -0.00 0.00 -0.71 0.00 0.00 39.64 37.93 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.07 -0.05 0.00 4.38 3.04 -1.92 -3.49 116.42 118.30 2k0f h ASP 127 Ca -0.56 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2k0f h ASP 127 Cb 1.89 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 40.20 2k0f h ASP 127 CO -0.09 0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2k0f n GLY 128 N 1.56 0.21 0.08 7.15 0.00 -1.26 -5.03 105.19 107.90 2k0f n GLY 128 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 1.04 -0.00 1.61 5.75 -1.26 -5.01 116.55 118.68 2k0f n ASP 129 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 129 Cb 0.00 0.85 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 2.02 1.87 3.18 6.12 0.00 -1.26 -5.12 105.19 112.00 2k0f n GLY 130 Ca -0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -1.02 0.86 -0.48 1.61 -0.21 -1.26 -4.58 119.66 114.57 2k0f s GLN 131 Ca 0.00 -1.08 -0.17 0.00 0.02 0.00 0.00 55.36 54.13 2k0f s GLN 131 Cb 0.00 -0.70 0.07 0.00 1.00 0.00 0.00 33.01 33.37 2k0f s GLN 131 CO 0.00 0.13 0.47 0.08 -2.12 0.00 0.00 175.29 173.85 2k0f s VAL 132 N -1.91 5.12 0.00 1.09 1.01 0.11 -4.53 120.40 121.29 2k0f s VAL 132 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2k0f s VAL 132 Cb -0.06 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2k0f s VAL 132 CO 0.02 -0.65 0.00 -0.46 0.00 0.00 0.00 175.10 174.01 2k0f n ASN 133 N 5.52 -0.40 0.47 3.32 0.23 -1.26 -0.96 115.26 122.18 2k0f n ASN 133 Ca -0.10 -0.46 -0.19 0.00 -0.53 0.00 0.00 54.58 53.30 2k0f n ASN 133 Cb 0.44 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.96 -1.12 -0.73 -2.53 3.20 -1.98 -2.65 116.97 110.19 2k0f h TYR 134 Ca 0.00 -0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.00 2k0f h TYR 134 Cb 0.00 0.37 -0.11 0.00 1.54 0.00 0.00 36.73 38.53 2k0f h TYR 134 CO 0.00 -0.70 0.17 1.49 -1.64 0.00 0.00 178.16 177.48 2k0f h GLU 135 N -1.31 0.25 -0.82 1.82 4.57 -1.98 -1.31 114.58 115.80 2k0f h GLU 135 Ca -0.12 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2k0f h GLU 135 Cb 0.93 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 2k0f h GLU 135 CO 0.20 0.17 0.54 0.93 -1.18 0.00 0.00 179.01 179.67 2k0f h GLU 136 N 0.26 1.05 -0.46 1.92 5.08 -1.87 -2.61 114.58 117.96 2k0f h GLU 136 Ca 0.41 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 136 Cb 0.70 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 136 CO -0.51 0.69 -0.08 0.35 -1.00 0.00 0.00 179.01 178.46 2k0f h PHE 137 N 1.08 0.97 0.56 4.33 3.04 -0.87 -0.73 116.94 125.33 2k0f h PHE 137 Ca 0.31 -0.20 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 2k0f h PHE 137 Cb -0.08 -0.24 0.01 0.00 2.56 0.00 0.00 35.95 38.20 2k0f h PHE 137 CO -0.02 0.95 -0.27 0.28 -2.02 0.00 0.00 178.31 177.23 2k0f h VAL 138 N 0.72 0.45 -0.44 1.41 2.07 -1.43 -2.76 116.25 116.26 2k0f h VAL 138 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2k0f h VAL 138 Cb 0.62 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2k0f h VAL 138 CO 0.04 0.00 0.25 1.56 0.02 0.00 0.00 177.57 179.44 2k0f h GLN 139 N -0.75 0.59 0.11 1.57 4.20 -1.39 -2.27 115.11 117.17 2k0f h GLN 139 Ca -0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2k0f h GLN 139 Cb 0.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2k0f h GLN 139 CO 0.13 0.43 -0.12 1.98 -0.67 0.00 0.00 178.83 180.58 2k0f h MET 140 N 0.61 -0.25 0.00 1.46 4.05 -1.07 -3.31 114.93 116.41 2k0f h MET 140 Ca 0.16 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2k0f h MET 140 Cb 0.00 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2k0f h MET 140 CO -0.03 -0.17 -0.47 -1.33 0.23 0.00 0.00 176.91 175.14 2k0f n MET 141 N -5.24 0.28 0.00 0.39 2.81 -1.05 -5.10 117.12 109.21 2k0f n MET 141 Ca -0.07 0.12 0.09 0.00 -1.81 0.00 0.00 57.70 56.03 2k0f n MET 141 Cb 0.16 -1.71 0.55 0.00 -0.71 0.00 0.00 33.22 31.50 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73