#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 0.00 -0.78 3.07 -2.05 -3.12 114.58 111.70 2k0f h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2k0f h GLU 2 CO 0.00 0.00 0.00 1.05 -1.40 0.00 0.00 179.01 178.66 2k0f h GLU 3 N 0.00 0.00 0.00 2.33 9.09 -2.06 -0.47 114.58 123.48 2k0f h GLU 3 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.26 2k0f h GLU 3 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 2k0f h GLU 3 CO 0.00 0.00 -0.84 0.37 0.05 0.00 0.00 179.01 178.59 2k0f h GLN 4 N 0.00 0.00 -0.86 1.06 4.15 -1.98 -3.29 115.11 114.18 2k0f h GLN 4 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.65 2k0f h GLN 4 Cb 0.66 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.20 2k0f h GLN 4 CO 0.00 0.97 0.18 0.82 -1.93 0.00 0.00 178.83 178.87 2k0f h ILE 5 N -1.00 0.30 -0.65 2.39 1.08 -1.50 -0.32 117.51 117.81 2k0f h ILE 5 Ca -0.23 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.30 2k0f h ILE 5 Cb 1.18 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 2k0f h ILE 5 CO -0.14 0.03 0.43 0.00 -0.69 0.00 0.00 178.15 177.79 2k0f h ALA 6 N 1.78 2.05 0.00 1.87 0.00 -1.23 0.15 119.26 123.88 2k0f h ALA 6 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2k0f h ALA 6 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 6 CO -0.68 -0.21 -0.61 -1.91 0.00 0.00 0.00 179.25 175.85 2k0f n GLU 7 N -4.47 0.29 -0.04 0.00 4.07 -0.26 -1.68 120.64 118.56 2k0f n GLU 7 Ca 0.11 0.09 -0.16 0.00 -0.06 0.00 0.00 57.16 57.14 2k0f n GLU 7 Cb 0.42 -1.69 -0.06 0.00 -0.06 0.00 0.00 31.44 30.06 2k0f n GLU 7 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 2k0f h PHE 8 N 0.00 1.06 -0.43 4.31 0.04 -0.40 -0.85 116.94 120.67 2k0f h PHE 8 Ca 0.00 -0.44 -0.05 0.00 2.80 0.00 0.00 57.97 60.28 2k0f h PHE 8 Cb 0.75 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 2k0f h PHE 8 CO 0.00 1.27 0.06 -0.22 -0.60 0.00 0.00 178.31 178.82 2k0f h LYS 9 N 0.57 0.66 -0.13 1.51 1.63 -0.74 -0.78 116.57 119.29 2k0f h LYS 9 Ca -0.03 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 2k0f h LYS 9 Cb 1.33 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2k0f h LYS 9 CO 0.15 0.63 -0.13 0.93 -3.45 0.00 0.00 179.45 177.57 2k0f h GLU 10 N 0.63 0.32 -0.64 1.90 4.39 -1.11 -1.35 114.58 118.72 2k0f h GLU 10 Ca 0.14 -0.17 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 10 Cb 0.30 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2k0f h GLU 10 CO 0.00 0.72 0.42 0.00 -1.16 0.00 0.00 179.01 179.00 2k0f h ALA 11 N 0.59 1.90 -0.68 3.43 0.00 -1.03 -1.89 119.26 121.58 2k0f h ALA 11 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 11 Cb 0.67 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2k0f h ALA 11 CO 0.03 -0.03 0.29 0.35 0.00 0.00 0.00 179.25 179.89 2k0f h PHE 12 N 0.53 1.02 0.00 0.00 3.57 -1.02 -3.04 116.94 117.99 2k0f h PHE 12 Ca 0.29 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k0f h PHE 12 Cb 0.44 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO -0.00 0.79 -0.03 0.77 -2.23 0.00 0.00 178.31 177.60 2k0f h SER 13 N 0.96 0.00 -0.14 0.41 0.02 -1.01 -1.95 113.55 111.83 2k0f h SER 13 Ca 0.23 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2k0f h SER 13 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k0f h SER 13 CO -0.02 0.03 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.62 2k0f h LEU 14 N 0.00 -0.07 -0.70 5.07 3.38 -1.23 -3.22 115.31 118.54 2k0f h LEU 14 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 14 Cb 0.50 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 14 CO 0.00 -0.02 0.00 -0.26 0.09 0.00 0.00 178.44 178.26 2k0f h PHE 15 N 0.04 0.00 -3.71 1.13 0.04 -1.39 -3.44 116.94 109.60 2k0f h PHE 15 Ca 0.06 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.34 2k0f h PHE 15 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 2k0f h PHE 15 CO -0.15 0.00 0.39 0.34 -0.60 0.00 0.00 178.31 178.28 2k0f s ASP 16 N -5.49 7.52 -0.07 2.17 -1.08 -0.96 -4.67 116.67 114.09 2k0f s ASP 16 Ca 0.05 2.00 -0.24 0.00 -0.52 0.00 0.00 52.55 53.84 2k0f s ASP 16 Cb 0.08 -2.61 -0.29 0.00 -1.46 0.00 0.00 42.92 38.64 2k0f s ASP 16 CO 0.57 0.03 0.88 0.50 0.52 0.00 0.00 175.17 177.67 2k0f h LYS 17 N 4.43 0.23 0.01 4.34 1.63 -1.86 -3.40 116.57 121.94 2k0f h LYS 17 Ca -0.45 -0.37 -0.32 0.00 -0.85 0.00 0.00 60.65 58.66 2k0f h LYS 17 Cb 1.21 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.93 2k0f h LYS 17 CO 0.69 1.17 -1.74 -0.25 -3.45 0.00 0.00 179.45 175.86 2k0f n ASP 18 N -4.26 1.92 0.00 4.20 8.00 -1.26 -5.03 116.55 120.11 2k0f n ASP 18 Ca -0.13 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2k0f n ASP 18 Cb 0.72 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.46 1.00 0.00 0.44 0.00 -1.26 -5.08 105.19 101.74 2k0f n GLY 19 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 0.00 1.61 5.68 -1.26 -5.05 116.55 117.53 2k0f n ASP 20 Ca 0.00 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2k0f n ASP 20 Cb 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.75 0.00 2.89 6.12 0.00 -1.26 -5.15 105.19 109.55 2k0f n GLY 21 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.32 -0.39 2.61 -4.23 -1.26 -4.49 115.64 108.20 2k0f s THR 22 Ca 0.00 -0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 22 Cb 0.00 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.52 2k0f s THR 22 CO 0.00 0.13 0.46 -0.63 -0.54 0.00 0.00 174.62 174.05 2k0f s ILE 23 N 0.43 5.06 0.81 2.99 1.01 -1.05 -4.97 121.20 125.49 2k0f s ILE 23 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2k0f s ILE 23 Cb -0.08 -4.00 0.08 0.00 0.01 0.00 0.00 42.46 38.47 2k0f s ILE 23 CO -0.01 -0.33 1.09 0.42 0.00 0.00 0.00 174.94 176.11 2k0f s THR 24 N 2.25 3.06 0.29 2.92 -4.23 -1.26 -3.75 115.64 114.91 2k0f s THR 24 Ca 0.15 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.01 2k0f s THR 24 Cb -0.16 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.80 2k0f s THR 24 CO 0.14 -0.45 1.79 0.71 -0.54 0.00 0.00 174.62 176.27 2k0f h THR 25 N -1.19 1.23 -0.44 3.99 1.35 -1.94 -2.04 112.91 113.88 2k0f h THR 25 Ca -0.47 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2k0f h THR 25 Cb 1.26 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 2k0f h THR 25 CO 0.57 0.33 0.27 0.11 -0.25 0.00 0.00 175.52 176.55 2k0f h LYS 26 N 0.57 0.60 -0.26 4.72 1.57 -1.95 0.45 116.57 122.26 2k0f h LYS 26 Ca 0.11 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2k0f h LYS 26 Cb 0.46 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2k0f h LYS 26 CO 0.02 0.44 -0.04 0.93 -0.57 0.00 0.00 179.45 180.23 2k0f h GLU 27 N 0.59 0.03 -0.86 3.15 5.08 -1.76 -1.88 114.58 118.91 2k0f h GLU 27 Ca 0.16 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 27 Cb -0.01 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 27 CO -0.03 0.02 0.52 -0.07 -1.00 0.00 0.00 179.01 178.45 2k0f h LEU 28 N 0.03 1.04 -0.38 1.33 3.38 -1.36 -1.59 115.31 117.75 2k0f h LEU 28 Ca 0.13 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2k0f h LEU 28 Cb 0.19 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2k0f h LEU 28 CO -0.25 0.80 -0.07 1.23 0.09 0.00 0.00 178.44 180.24 2k0f h GLY 29 N 1.19 0.30 0.95 0.83 0.00 0.31 0.63 103.07 107.27 2k0f h GLY 29 Ca 0.31 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.62 2k0f h GLY 29 CO -0.06 -0.13 -0.35 -0.84 0.00 0.00 0.00 176.54 175.16 2k0f h THR 30 N 0.02 1.32 -0.30 4.70 2.02 -1.31 -2.34 112.91 117.01 2k0f h THR 30 Ca 0.19 -1.55 -0.13 0.00 0.77 0.00 0.00 66.41 65.68 2k0f h THR 30 Cb 0.28 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2k0f h THR 30 CO -0.38 0.49 -0.35 0.58 0.37 0.00 0.00 175.52 176.23 2k0f h VAL 31 N 0.35 1.29 -0.31 3.16 2.07 -0.93 0.41 116.25 122.29 2k0f h VAL 31 Ca 0.02 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.11 2k0f h VAL 31 Cb 0.94 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 31 CO 0.08 0.48 -0.10 0.24 0.02 0.00 0.00 177.57 178.29 2k0f h MET 32 N 0.57 -0.04 0.11 1.57 2.86 -0.98 -3.05 114.93 115.98 2k0f h MET 32 Ca 0.06 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 32 Cb 0.87 0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.55 2k0f h MET 32 CO 0.08 -0.02 -1.20 0.00 1.06 0.00 0.00 176.91 176.82 2k0f h ARG 33 N -0.04 0.46 -0.91 1.72 3.08 -0.96 -0.56 114.38 117.17 2k0f h ARG 33 Ca 0.15 -0.64 0.10 0.00 0.07 0.00 0.00 59.98 59.66 2k0f h ARG 33 Cb 0.27 0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 33 CO -0.34 1.27 0.59 0.77 -1.07 0.00 0.00 179.97 181.19 2k0f h SER 34 N 0.19 0.83 -0.28 7.04 0.02 -0.31 -2.29 113.55 118.74 2k0f h SER 34 Ca -0.15 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2k0f h SER 34 Cb 1.88 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 64.22 2k0f h SER 34 CO 0.21 0.49 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.26 2k0f h LEU 35 N 0.92 -0.23 0.00 5.07 3.38 -1.46 -3.47 115.31 119.51 2k0f h LEU 35 Ca 0.42 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2k0f h LEU 35 Cb 0.40 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 35 CO -0.18 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2k0f n GLY 36 N -1.24 0.00 3.45 0.83 0.00 -0.25 -4.95 105.19 103.03 2k0f n GLY 36 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.60 -0.75 1.61 -1.52 -0.98 -5.00 119.66 114.62 2k0f s GLN 37 Ca 0.00 -1.74 -0.04 0.00 -1.95 0.00 0.00 55.36 51.63 2k0f s GLN 37 Cb 0.00 -1.57 0.19 0.00 -0.22 0.00 0.00 33.01 31.41 2k0f s GLN 37 CO 0.00 0.26 0.61 -0.80 -0.25 0.00 0.00 175.29 175.11 2k0f s ASN 38 N -3.47 5.71 0.47 5.90 0.01 -1.26 -4.18 114.94 118.12 2k0f s ASN 38 Ca 0.28 -3.16 0.02 0.00 -0.71 0.00 0.00 52.86 49.30 2k0f s ASN 38 Cb -0.03 -1.92 0.01 0.00 0.41 0.00 0.00 41.25 39.72 2k0f s ASN 38 CO 0.13 -0.33 0.67 -2.16 -1.51 0.00 0.00 177.10 173.91 2k0f s PRO 39 N -0.51 2.89 0.19 -0.60 0.04 -1.26 -5.12 135.00 130.63 2k0f s PRO 39 Ca 0.21 -0.70 0.06 0.00 0.04 0.00 0.00 61.00 60.61 2k0f s PRO 39 Cb -0.14 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2k0f s PRO 39 CO -0.07 -0.37 0.11 0.95 0.04 0.00 0.00 177.00 177.66 2k0f s THR 40 N -2.56 4.23 0.05 1.26 -4.23 -1.26 -5.06 115.64 108.07 2k0f s THR 40 Ca 0.51 -1.28 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 2k0f s THR 40 Cb -0.10 -3.18 -0.33 0.00 1.34 0.00 0.00 72.50 70.23 2k0f s THR 40 CO 0.37 -0.17 1.06 -0.33 -0.54 0.00 0.00 174.62 175.01 2k0f h GLU 41 N 2.26 0.45 -0.14 3.99 3.07 -1.99 -3.26 114.58 118.96 2k0f h GLU 41 Ca -0.47 -0.75 0.01 0.00 -0.50 0.00 0.00 59.36 57.65 2k0f h GLU 41 Cb 1.21 0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 29.38 2k0f h GLU 41 CO 0.61 1.35 -0.08 0.00 -1.40 0.00 0.00 179.01 179.50 2k0f n ALA 42 N -2.64 -0.09 0.20 3.43 0.00 -1.26 -1.33 120.51 118.82 2k0f n ALA 42 Ca -0.13 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2k0f n ALA 42 Cb 1.07 0.29 0.44 0.00 0.00 0.00 0.00 19.45 21.25 2k0f n ALA 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k0f h GLU 43 N 0.00 0.00 0.00 0.00 4.11 -2.00 -1.30 114.58 115.39 2k0f h GLU 43 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2k0f h GLU 43 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k0f h GLU 43 CO -0.13 0.31 -0.15 -0.07 0.07 0.00 0.00 179.01 179.04 2k0f h LEU 44 N 0.00 0.00 -0.06 3.06 3.38 -1.57 -2.32 115.31 117.80 2k0f h LEU 44 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2k0f h LEU 44 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k0f h LEU 44 CO 0.04 0.15 -1.04 -0.61 0.09 0.00 0.00 178.44 177.06 2k0f h GLN 45 N 0.00 0.20 -0.57 1.13 5.75 -0.07 -1.47 115.11 120.09 2k0f h GLN 45 Ca -0.00 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2k0f h GLN 45 Cb 0.53 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 2k0f h GLN 45 CO 0.02 1.07 0.37 -0.44 -2.65 0.00 0.00 178.83 177.20 2k0f h ASP 46 N 0.08 0.66 -0.02 -0.69 3.32 -1.34 -0.09 116.42 118.35 2k0f h ASP 46 Ca -0.07 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2k0f h ASP 46 Cb 1.74 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 2k0f h ASP 46 CO 0.16 0.49 -0.44 -0.03 -1.72 0.00 0.00 179.24 177.71 2k0f h MET 47 N 0.77 0.55 -0.43 3.56 4.05 -1.28 -2.40 114.93 119.75 2k0f h MET 47 Ca 0.21 -0.30 -0.14 0.00 -0.28 0.00 0.00 59.70 59.19 2k0f h MET 47 Cb -0.07 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 2k0f h MET 47 CO -0.04 0.88 -0.29 0.82 0.23 0.00 0.00 176.91 178.51 2k0f h ILE 48 N 0.45 1.27 0.00 1.77 2.04 -1.10 -3.12 117.51 118.82 2k0f h ILE 48 Ca 0.03 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2k0f h ILE 48 Cb 0.95 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2k0f h ILE 48 CO 0.08 0.49 0.00 0.78 0.00 0.00 0.00 178.15 179.51 2k0f h ASN 49 N 0.79 0.00 0.55 1.72 2.35 -0.58 0.18 115.58 120.58 2k0f h ASN 49 Ca 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 49 Cb 0.87 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.24 2k0f h ASN 49 CO 0.08 0.00 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.52 2k0f h GLU 50 N 0.00 -0.71 0.00 0.81 4.81 -1.38 -3.35 114.58 114.76 2k0f h GLU 50 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 50 Cb 0.43 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 50 CO 0.00 -0.41 0.00 1.33 -0.73 0.00 0.00 179.01 179.20 2k0f n VAL 51 N -5.29 0.25 -1.82 0.32 0.24 -1.15 -4.76 118.33 106.13 2k0f n VAL 51 Ca -0.10 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 2k0f n VAL 51 Cb 0.32 -0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 32.08 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -3.54 4.57 0.15 -1.34 2.15 0.04 -4.82 116.67 113.88 2k0f s ASP 52 Ca 0.12 -0.19 -0.13 0.00 0.43 0.00 0.00 52.55 52.79 2k0f s ASP 52 Cb 0.16 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 2k0f s ASP 52 CO 0.54 -3.21 1.60 0.00 -0.17 0.00 0.00 175.17 173.93 2k0f h ALA 53 N 12.66 0.65 -2.82 3.66 0.00 -1.89 -3.41 119.26 128.11 2k0f h ALA 53 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 53 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k0f h ALA 53 CO 1.12 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 180.42 2k0f n ASP 54 N -4.35 0.00 0.00 0.00 5.68 -1.26 -5.05 116.55 111.57 2k0f n ASP 54 Ca 0.01 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 2k0f n ASP 54 Cb 0.30 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 2.47 0.06 0.19 6.12 0.00 -1.26 -4.99 105.19 107.77 2k0f n GLY 55 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 7.08 -1.96 -3.47 115.58 118.83 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.31 0.00 0.61 -2.08 0.00 0.00 177.43 176.27 2k0f n GLY 57 N 0.62 0.54 3.19 9.14 0.00 -1.26 -5.03 105.19 112.40 2k0f n GLY 57 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.90 -0.12 2.61 -4.23 -1.26 -4.95 115.64 106.59 2k0f s THR 58 Ca 0.00 -1.87 -0.29 0.00 -1.18 0.00 0.00 61.69 58.35 2k0f s THR 58 Cb 0.00 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 2k0f s THR 58 CO 0.00 -0.74 1.11 -0.51 -0.54 0.00 0.00 174.62 173.94 2k0f s ILE 59 N -3.15 4.53 0.48 2.99 2.07 -1.25 -4.90 121.20 121.99 2k0f s ILE 59 Ca 0.11 1.83 0.06 0.00 -1.41 0.00 0.00 60.65 61.24 2k0f s ILE 59 Cb 0.02 -4.18 0.03 0.00 0.13 0.00 0.00 42.46 38.46 2k0f s ILE 59 CO -0.02 -0.05 0.67 -1.81 -1.91 0.00 0.00 174.94 171.82 2k0f s ASP 60 N 1.36 5.44 0.04 4.50 1.11 -1.26 -2.53 116.67 125.32 2k0f s ASP 60 Ca 0.51 -0.37 -0.22 0.00 0.18 0.00 0.00 52.55 52.64 2k0f s ASP 60 Cb -0.20 -0.56 -0.15 0.00 1.07 0.00 0.00 42.92 43.08 2k0f s ASP 60 CO 0.16 -0.97 1.42 0.15 1.18 0.00 0.00 175.17 177.11 2k0f h PHE 61 N 0.39 0.23 0.00 4.23 3.57 -1.97 0.51 116.94 123.90 2k0f h PHE 61 Ca -0.39 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 61 Cb 1.28 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2k0f h PHE 61 CO 0.37 0.52 0.00 -0.35 -2.23 0.00 0.00 178.31 176.62 2k0f n PRO 62 N -4.75 0.05 -0.09 6.41 -0.04 -1.26 -0.83 135.00 134.48 2k0f n PRO 62 Ca -0.06 0.44 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 2k0f n PRO 62 Cb 0.24 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.00 0.00 -0.93 0.54 5.08 -1.65 -3.17 114.58 114.45 2k0f h GLU 63 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 2k0f h GLU 63 Cb 0.12 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 63 CO 0.00 0.80 0.02 0.34 -1.00 0.00 0.00 179.01 179.17 2k0f n PHE 64 N -4.50 0.60 -0.29 4.33 7.35 0.08 -0.50 117.46 124.53 2k0f n PHE 64 Ca -0.23 1.13 0.07 0.00 -0.76 0.00 0.00 57.45 57.65 2k0f n PHE 64 Cb 0.56 -1.20 0.22 0.00 0.35 0.00 0.00 39.48 39.40 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2k0f h LEU 65 N 0.00 0.44 0.00 -2.13 3.38 -1.09 -2.03 115.31 113.88 2k0f h LEU 65 Ca 0.57 0.10 -0.25 0.00 0.09 0.00 0.00 57.88 58.40 2k0f h LEU 65 Cb 1.17 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2k0f h LEU 65 CO -0.88 0.17 -1.35 0.74 0.09 0.00 0.00 178.44 177.21 2k0f h THR 66 N 0.55 1.22 -0.02 0.22 2.02 -1.24 -3.22 112.91 112.44 2k0f h THR 66 Ca 0.46 -2.99 -0.02 0.00 0.77 0.00 0.00 66.41 64.63 2k0f h THR 66 Cb 0.68 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 2k0f h THR 66 CO -0.39 0.70 -0.07 -0.03 0.37 0.00 0.00 175.52 176.10 2k0f h MET 67 N 0.00 0.09 -0.03 6.66 -1.53 -0.59 -3.08 114.93 116.45 2k0f h MET 67 Ca -0.15 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.06 2k0f h MET 67 Cb 1.87 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 32.93 2k0f h MET 67 CO 0.10 0.68 0.03 0.52 0.14 0.00 0.00 176.91 178.38 2k0f h MET 68 N -0.49 0.00 -0.01 0.39 2.07 -1.48 -2.49 114.93 112.92 2k0f h MET 68 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 68 Cb 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 2k0f h MET 68 CO 0.01 0.00 -0.43 0.00 1.07 0.00 0.00 176.91 177.57 2k0f n ALA 69 N -2.37 3.45 -2.45 6.32 0.00 -1.20 -4.95 120.51 119.30 2k0f n ALA 69 Ca -0.02 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 2k0f n ALA 69 Cb 0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.50 3.93 -0.21 0.00 3.52 -0.94 -5.02 118.95 117.73 2k0f s ARG 70 Ca 0.20 1.22 -0.14 0.00 -0.13 0.00 0.00 55.73 56.89 2k0f s ARG 70 Cb 0.18 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2k0f s ARG 70 CO 0.56 -1.09 0.29 0.15 -0.81 0.00 0.00 175.30 174.41 2k0f s LYS 71 N 4.10 4.15 0.00 5.12 1.02 -1.26 -5.05 119.74 127.82 2k0f s LYS 71 Ca 0.55 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2k0f s LYS 71 Cb -0.16 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2k0f s LYS 71 CO 0.22 0.04 0.00 -0.12 -0.92 0.00 0.00 175.35 174.57 2k0f n MET 72 N 4.27 0.00 -0.04 1.68 1.56 -1.26 -5.05 117.12 118.28 2k0f n MET 72 Ca -0.11 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.10 2k0f n MET 72 Cb 0.52 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.76 2k0f n MET 72 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2k0f n LYS 73 N 0.00 0.69 -2.53 2.12 4.81 -1.26 -4.99 118.16 117.00 2k0f n LYS 73 Ca 0.00 0.35 -0.24 0.00 -0.87 0.00 0.00 58.31 57.55 2k0f n LYS 73 Cb 0.00 -1.70 0.04 0.00 0.02 0.00 0.00 35.03 33.39 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k0f s ASP 74 N -6.98 5.38 -0.14 3.14 1.01 -1.26 -5.05 116.67 112.78 2k0f s ASP 74 Ca -0.26 0.39 -0.03 0.00 0.71 0.00 0.00 52.55 53.37 2k0f s ASP 74 Cb 0.07 -1.33 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 2k0f s ASP 74 CO 0.70 -1.13 -0.03 -0.89 0.21 0.00 0.00 175.17 174.02 2k0f s THR 75 N -2.91 3.94 0.17 -1.27 2.01 -1.26 -4.99 115.64 111.34 2k0f s THR 75 Ca 0.55 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2k0f s THR 75 Cb -0.10 -2.70 -0.14 0.00 0.01 0.00 0.00 72.50 69.57 2k0f s THR 75 CO 0.42 0.52 1.40 0.44 -0.69 0.00 0.00 174.62 176.71 2k0f h ASP 76 N 6.31 0.24 1.01 3.53 3.32 -1.97 0.13 116.42 128.99 2k0f h ASP 76 Ca -0.36 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 76 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2k0f h ASP 76 CO 0.61 0.98 0.00 0.77 -1.72 0.00 0.00 179.24 179.88 2k0f h SER 77 N 0.11 0.00 0.00 6.45 4.64 -1.98 -3.01 113.55 119.76 2k0f h SER 77 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2k0f h SER 77 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2k0f h SER 77 CO 0.13 0.00 -0.61 1.21 -0.87 0.00 0.00 176.83 176.69 2k0f n GLU 78 N -2.68 0.32 -0.07 4.77 2.13 -1.00 -4.54 120.64 119.58 2k0f n GLU 78 Ca 0.02 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 57.85 2k0f n GLU 78 Cb 0.30 -1.05 -0.10 0.00 0.27 0.00 0.00 31.44 30.87 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 79 N -0.61 0.00 0.25 5.31 4.39 -0.92 -3.35 114.58 119.64 2k0f h GLU 79 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 79 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2k0f h GLU 79 CO 0.00 0.74 -0.12 1.49 -1.16 0.00 0.00 179.01 179.97 2k0f h GLU 80 N -1.00 -0.32 -0.91 2.33 4.81 -1.67 -2.52 114.58 115.30 2k0f h GLU 80 Ca -0.03 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 80 Cb 0.79 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 80 CO -0.02 -0.02 0.55 0.82 -0.73 0.00 0.00 179.01 179.61 2k0f h ILE 81 N -0.62 0.92 -0.22 2.32 2.04 -1.78 0.24 117.51 120.41 2k0f h ILE 81 Ca -0.03 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2k0f h ILE 81 Cb 0.44 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2k0f h ILE 81 CO 0.06 0.16 0.01 -0.09 0.00 0.00 0.00 178.15 178.28 2k0f h ARG 82 N 0.89 0.39 0.03 2.37 2.43 -1.64 0.18 114.38 119.04 2k0f h ARG 82 Ca 0.44 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 82 Cb 0.41 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 82 CO -0.25 0.57 -0.99 0.93 -1.51 0.00 0.00 179.97 178.72 2k0f h GLU 83 N 0.16 0.12 -0.24 0.20 4.39 -1.03 -0.59 114.58 117.59 2k0f h GLU 83 Ca 0.06 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 83 Cb 0.39 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 83 CO 0.01 1.01 -0.01 0.00 -1.16 0.00 0.00 179.01 178.85 2k0f h ALA 84 N 0.93 1.54 -0.26 3.43 0.00 -0.47 -2.15 119.26 122.28 2k0f h ALA 84 Ca -0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 84 Cb 1.69 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k0f h ALA 84 CO 0.14 0.34 -0.36 0.35 0.00 0.00 0.00 179.25 179.72 2k0f h PHE 85 N 0.35 0.85 -0.50 0.00 3.57 -0.48 -1.91 116.94 118.81 2k0f h PHE 85 Ca 0.08 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 85 Cb 0.26 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 2k0f h PHE 85 CO 0.01 1.04 -0.52 -0.09 -2.23 0.00 0.00 178.31 176.52 2k0f h ARG 86 N 0.42 -0.30 0.00 1.11 2.43 -1.15 -2.66 114.38 114.22 2k0f h ARG 86 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2k0f h ARG 86 Cb 0.95 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2k0f h ARG 86 CO 0.08 -0.20 0.00 1.33 -1.51 0.00 0.00 179.97 179.67 2k0f n VAL 87 N -5.38 0.39 0.15 0.20 0.24 -0.81 -3.61 118.33 109.52 2k0f n VAL 87 Ca -0.01 0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.31 2k0f n VAL 87 Cb 0.34 -0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 2k0f n VAL 87 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2k0f h PHE 88 N 0.00 -0.43 -2.64 6.34 3.04 -1.01 -3.46 116.94 118.79 2k0f h PHE 88 Ca 0.00 -0.01 -0.54 0.00 3.98 0.00 0.00 57.97 61.40 2k0f h PHE 88 Cb 0.28 0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.94 2k0f h PHE 88 CO 0.00 -0.27 1.04 0.34 -2.02 0.00 0.00 178.31 177.40 2k0f s ASP 89 N -4.85 6.60 0.08 0.41 -1.08 -1.09 -4.94 116.67 111.81 2k0f s ASP 89 Ca -0.07 2.45 -0.31 0.00 -0.52 0.00 0.00 52.55 54.10 2k0f s ASP 89 Cb 0.01 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 2k0f s ASP 89 CO 0.20 -0.91 1.64 0.50 0.52 0.00 0.00 175.17 177.12 2k0f h LYS 90 N 8.83 -0.73 0.25 4.34 3.64 -1.89 -3.37 116.57 127.64 2k0f h LYS 90 Ca -0.43 0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 58.67 2k0f h LYS 90 Cb 1.20 0.17 0.04 0.00 -0.41 0.00 0.00 32.23 33.22 2k0f h LYS 90 CO 0.94 -0.49 -1.50 0.38 -2.27 0.00 0.00 179.45 176.51 2k0f h ASP 91 N -0.76 0.82 0.00 4.20 2.03 -1.96 -3.49 116.42 117.26 2k0f h ASP 91 Ca -0.07 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 55.33 2k0f h ASP 91 Cb 0.60 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 2k0f h ASP 91 CO 0.09 1.71 0.00 0.61 -1.03 0.00 0.00 179.24 180.62 2k0f n GLY 92 N 1.72 0.70 0.21 7.15 0.00 -1.26 -5.03 105.19 108.68 2k0f n GLY 92 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.25 -0.02 1.61 -1.07 -1.94 -3.47 115.58 110.94 2k0f h ASN 93 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.28 2k0f h ASN 93 Cb 0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 2k0f h ASN 93 CO 0.00 0.56 0.00 0.61 0.07 0.00 0.00 177.43 178.67 2k0f n GLY 94 N -0.41 1.71 2.69 9.14 0.00 -1.26 -5.08 105.19 111.98 2k0f n GLY 94 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.02 0.39 -0.30 1.61 1.51 -1.26 -4.62 117.35 112.66 2k0f s TYR 95 Ca 0.00 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.69 2k0f s TYR 95 Cb 0.00 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2k0f s TYR 95 CO 0.00 -0.38 0.58 0.42 -1.11 0.00 0.00 175.55 175.06 2k0f s ILE 96 N 2.07 4.98 0.80 2.71 1.01 0.31 -4.81 121.20 128.27 2k0f s ILE 96 Ca 0.03 0.76 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 2k0f s ILE 96 Cb -0.14 -3.95 0.16 0.00 0.01 0.00 0.00 42.46 38.54 2k0f s ILE 96 CO -0.06 -0.11 1.10 -0.94 0.00 0.00 0.00 174.94 174.94 2k0f s SER 97 N 1.65 3.88 0.31 3.58 1.04 -1.26 -0.73 113.70 122.16 2k0f s SER 97 Ca 0.23 -0.33 0.16 0.00 0.48 0.00 0.00 55.95 56.49 2k0f s SER 97 Cb -0.15 0.13 0.29 0.00 0.10 0.00 0.00 66.02 66.38 2k0f s SER 97 CO 0.12 -2.20 1.54 0.00 0.98 0.00 0.00 173.24 173.68 2k0f h ALA 98 N -0.87 0.77 -0.58 5.32 0.00 -1.97 -2.25 119.26 119.67 2k0f h ALA 98 Ca -0.37 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 2k0f h ALA 98 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 98 CO 0.36 0.59 0.02 0.00 0.00 0.00 0.00 179.25 180.22 2k0f h ALA 99 N 1.53 0.78 -0.02 0.00 0.00 -1.96 -2.81 119.26 116.78 2k0f h ALA 99 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 99 Cb 1.22 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k0f h ALA 99 CO 0.06 0.60 -0.70 0.93 0.00 0.00 0.00 179.25 180.14 2k0f h GLU 100 N 0.91 0.51 0.13 0.00 5.08 -1.92 -2.58 114.58 116.71 2k0f h GLU 100 Ca 0.17 -0.52 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2k0f h GLU 100 Cb 0.52 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 100 CO 0.03 1.16 -0.46 1.25 -1.00 0.00 0.00 179.01 179.99 2k0f h LEU 101 N 0.07 -1.36 -0.15 1.33 5.85 -1.53 0.36 115.31 119.88 2k0f h LEU 101 Ca -0.08 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2k0f h LEU 101 Cb 1.39 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.86 2k0f h LEU 101 CO 0.14 -0.52 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.29 2k0f h ARG 102 N -0.70 -0.39 -0.40 1.25 2.43 -1.52 -1.20 114.38 113.85 2k0f h ARG 102 Ca 0.01 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2k0f h ARG 102 Cb 0.72 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.26 2k0f h ARG 102 CO -0.26 -0.26 -0.24 1.25 -1.51 0.00 0.00 179.97 178.95 2k0f h HIS 103 N -0.40 -0.64 -0.73 2.20 2.76 -0.93 -0.04 115.15 117.36 2k0f h HIS 103 Ca 0.10 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 2k0f h HIS 103 Cb 0.56 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.81 2k0f h HIS 103 CO -0.43 -0.32 0.42 0.28 -1.30 0.00 0.00 177.93 176.58 2k0f h VAL 104 N -0.18 1.00 -0.57 5.26 2.07 -0.10 0.70 116.25 124.42 2k0f h VAL 104 Ca 0.19 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2k0f h VAL 104 Cb 0.48 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2k0f h VAL 104 CO -0.50 0.14 0.15 0.24 0.02 0.00 0.00 177.57 177.62 2k0f h MET 105 N 0.78 0.87 0.06 1.57 2.07 -1.10 -1.50 114.93 117.69 2k0f h MET 105 Ca 0.32 -0.18 -0.26 0.00 -2.07 0.00 0.00 59.70 57.51 2k0f h MET 105 Cb 0.18 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2k0f h MET 105 CO -0.18 0.77 -1.10 1.15 1.07 0.00 0.00 176.91 178.63 2k0f h THR 106 N 0.84 1.37 -0.10 2.22 2.02 0.55 0.45 112.91 120.26 2k0f h THR 106 Ca 0.19 -2.54 0.02 0.00 0.77 0.00 0.00 66.41 64.85 2k0f h THR 106 Cb 0.29 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2k0f h THR 106 CO -0.00 0.76 -0.01 0.78 0.37 0.00 0.00 175.52 177.41 2k0f h ASN 107 N 0.23 -0.07 -0.38 4.18 2.35 -0.92 -3.18 115.58 117.80 2k0f h ASN 107 Ca -0.13 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2k0f h ASN 107 Cb 1.76 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 40.13 2k0f h ASN 107 CO 0.20 -0.02 0.09 -0.07 -1.65 0.00 0.00 177.43 175.98 2k0f h LEU 108 N 0.02 0.05 0.00 1.61 3.38 -1.19 -3.47 115.31 115.71 2k0f h LEU 108 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k0f h LEU 108 Cb 0.07 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k0f h LEU 108 CO -0.09 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2k0f n GLY 109 N -1.24 1.85 3.61 0.83 0.00 0.14 -4.56 105.19 105.83 2k0f n GLY 109 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 4.02 -1.03 1.61 2.56 -0.31 -4.98 118.70 120.57 2k0f s GLU 110 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 54.97 54.88 2k0f s GLU 110 Cb 0.00 -3.66 0.10 0.00 2.00 0.00 0.00 34.13 32.57 2k0f s GLU 110 CO 0.00 -0.31 1.34 0.15 -0.56 0.00 0.00 175.26 175.89 2k0f s LYS 111 N 2.14 3.68 0.51 4.30 1.02 -1.26 -4.19 119.74 125.93 2k0f s LYS 111 Ca 0.17 -1.60 -0.19 0.00 0.02 0.00 0.00 55.97 54.37 2k0f s LYS 111 Cb -0.16 -5.17 -0.08 0.00 -0.52 0.00 0.00 37.83 31.91 2k0f s LYS 111 CO 0.10 -2.00 1.05 -0.51 -0.92 0.00 0.00 175.35 173.07 2k0f s LEU 112 N 3.66 3.78 0.51 3.17 1.43 -1.26 -5.07 118.68 124.91 2k0f s LEU 112 Ca 0.41 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 2k0f s LEU 112 Cb -0.02 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.67 2k0f s LEU 112 CO -0.07 -0.86 0.71 0.42 0.23 0.00 0.00 176.35 176.77 2k0f s THR 113 N -2.05 2.77 0.38 5.49 -4.23 -1.26 -4.99 115.64 111.75 2k0f s THR 113 Ca 0.67 -0.79 0.21 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 113 Cb -0.17 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 70.91 2k0f s THR 113 CO 0.23 0.00 1.97 0.44 -0.54 0.00 0.00 174.62 176.72 2k0f h ASP 114 N 0.26 0.00 -0.15 3.99 5.19 -2.01 -2.23 116.42 121.47 2k0f h ASP 114 Ca -0.41 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.78 2k0f h ASP 114 Cb 1.29 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.81 2k0f h ASP 114 CO 0.49 0.21 -0.77 -0.08 -3.12 0.00 0.00 179.24 175.97 2k0f h GLU 115 N 0.00 0.80 -0.32 3.56 4.81 -2.02 -3.28 114.58 118.13 2k0f h GLU 115 Ca -0.00 -0.65 -0.16 0.00 -0.13 0.00 0.00 59.36 58.42 2k0f h GLU 115 Cb 0.45 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 115 CO 0.03 1.25 -0.43 0.93 -0.73 0.00 0.00 179.01 180.06 2k0f h GLU 116 N 0.55 0.82 -0.57 1.92 5.08 -1.81 -3.22 114.58 117.35 2k0f h GLU 116 Ca -0.05 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 116 Cb 1.40 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.58 2k0f h GLU 116 CO 0.16 1.09 -0.54 0.28 -1.00 0.00 0.00 179.01 179.00 2k0f h VAL 117 N 0.66 0.02 -0.74 3.13 2.07 -1.52 -1.72 116.25 118.15 2k0f h VAL 117 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 117 Cb 1.01 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 117 CO 0.10 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.74 2k0f h ASP 118 N -0.28 -0.65 0.44 0.57 3.58 -1.69 -2.44 116.42 115.95 2k0f h ASP 118 Ca 0.12 0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 2k0f h ASP 118 Cb 0.55 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2k0f h ASP 118 CO -0.69 -0.24 -0.32 -0.08 -2.88 0.00 0.00 179.24 175.03 2k0f h GLU 119 N 0.01 -0.72 -0.45 0.28 4.81 -1.41 -3.03 114.58 114.07 2k0f h GLU 119 Ca 0.36 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.73 2k0f h GLU 119 Cb 0.56 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 119 CO -0.75 -0.48 -0.22 0.52 -0.73 0.00 0.00 179.01 177.36 2k0f h MET 120 N -0.74 -0.12 -0.71 1.92 2.86 -0.88 -2.86 114.93 114.40 2k0f h MET 120 Ca -0.04 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 120 Cb 0.63 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.21 2k0f h MET 120 CO 0.01 -0.08 0.15 0.82 1.06 0.00 0.00 176.91 178.87 2k0f h ILE 121 N -0.12 0.52 0.00 -1.22 1.08 -1.36 -1.94 117.51 114.47 2k0f h ILE 121 Ca 0.21 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2k0f h ILE 121 Cb 0.46 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2k0f h ILE 121 CO -0.53 0.05 -0.16 0.03 -0.69 0.00 0.00 178.15 176.85 2k0f h ARG 122 N 0.25 0.00 -0.12 2.37 3.08 -1.41 0.12 114.38 118.67 2k0f h ARG 122 Ca 0.40 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.27 2k0f h ARG 122 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2k0f h ARG 122 CO -0.51 0.16 -0.65 1.49 -1.07 0.00 0.00 179.97 179.39 2k0f h GLU 123 N 0.00 0.44 0.07 0.04 4.81 -1.13 -3.31 114.58 115.50 2k0f h GLU 123 Ca -0.00 -0.32 -0.34 0.00 -0.13 0.00 0.00 59.36 58.56 2k0f h GLU 123 Cb 0.44 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 123 CO 0.02 0.94 -1.95 0.00 -0.73 0.00 0.00 179.01 177.30 2k0f n ALA 124 N -2.51 1.14 -2.69 2.92 0.00 -1.02 -4.91 120.51 113.43 2k0f n ALA 124 Ca -0.04 -0.70 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2k0f n ALA 124 Cb 0.66 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 -6.64 7.00 -0.26 0.00 2.15 0.38 -4.68 116.67 114.62 2k0f s ASP 125 Ca -0.17 1.22 -0.13 0.00 0.43 0.00 0.00 52.55 53.90 2k0f s ASP 125 Cb 0.07 -2.45 -0.15 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 125 CO 0.78 -0.28 -0.20 -0.38 -0.17 0.00 0.00 175.17 174.92 2k0f n ILE 126 N 4.32 1.54 0.00 4.11 5.41 -1.26 -4.80 119.36 128.67 2k0f n ILE 126 Ca 0.02 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.42 2k0f n ILE 126 Cb 0.50 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.13 0.00 0.00 4.38 5.68 -1.26 -5.02 116.55 116.20 2k0f n ASP 127 Ca -0.48 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 2k0f n ASP 127 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.68 0.00 0.14 6.12 0.00 -1.26 -5.04 105.19 106.82 2k0f n GLY 128 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.53 0.00 1.61 3.04 -1.98 -3.49 116.42 116.14 2k0f h ASP 129 Ca 0.00 -0.93 0.00 0.00 -3.24 0.00 0.00 57.03 52.86 2k0f h ASP 129 Cb 0.00 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.12 2k0f h ASP 129 CO 0.00 1.78 0.00 0.61 -2.04 0.00 0.00 179.24 179.59 2k0f n GLY 130 N 1.88 0.75 3.79 7.15 0.00 -1.26 -5.09 105.19 112.40 2k0f n GLY 130 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.50 2.91 -0.38 1.61 -0.21 -1.26 -4.34 119.66 117.48 2k0f s GLN 131 Ca 0.00 -0.73 -0.13 0.00 0.02 0.00 0.00 55.36 54.52 2k0f s GLN 131 Cb 0.00 -2.72 0.02 0.00 1.00 0.00 0.00 33.01 31.31 2k0f s GLN 131 CO 0.00 0.55 0.25 0.08 -2.12 0.00 0.00 175.29 174.04 2k0f s VAL 132 N -1.49 4.93 0.78 1.09 1.01 0.09 -4.84 120.40 121.98 2k0f s VAL 132 Ca 0.30 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2k0f s VAL 132 Cb -0.12 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.72 2k0f s VAL 132 CO 0.23 -0.22 1.07 -0.46 0.00 0.00 0.00 175.10 175.71 2k0f n ASN 133 N 5.07 0.94 0.02 3.32 0.23 -1.26 -0.53 115.26 123.05 2k0f n ASN 133 Ca -0.12 -1.91 -0.12 0.00 -0.53 0.00 0.00 54.58 51.90 2k0f n ASN 133 Cb 0.47 -0.74 -0.09 0.00 -2.08 0.00 0.00 39.78 37.34 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 -0.11 -0.92 -2.53 3.20 -1.98 -2.01 116.97 111.67 2k0f h TYR 134 Ca -0.35 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 61.73 2k0f h TYR 134 Cb 1.18 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.41 2k0f h TYR 134 CO 0.00 0.40 0.61 1.49 -1.64 0.00 0.00 178.16 179.02 2k0f h GLU 135 N -0.70 0.36 -0.32 1.82 4.57 -1.99 0.14 114.58 118.47 2k0f h GLU 135 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2k0f h GLU 135 Cb 0.56 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 2k0f h GLU 135 CO 0.02 0.24 0.20 0.93 -1.18 0.00 0.00 179.01 179.22 2k0f h GLU 136 N 0.38 0.42 -0.17 1.92 5.08 -1.82 -2.81 114.58 117.58 2k0f h GLU 136 Ca 0.48 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 136 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 136 CO -0.18 0.29 -0.15 0.35 -1.00 0.00 0.00 179.01 178.33 2k0f h PHE 137 N 0.42 0.47 -0.44 4.33 3.57 -0.25 -2.12 116.94 122.92 2k0f h PHE 137 Ca 0.12 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 137 Cb -0.03 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2k0f h PHE 137 CO -0.05 0.76 0.27 0.28 -2.23 0.00 0.00 178.31 177.34 2k0f h VAL 138 N 0.04 1.13 -0.02 1.41 2.07 -0.89 -1.90 116.25 118.10 2k0f h VAL 138 Ca 0.03 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 2k0f h VAL 138 Cb 0.67 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2k0f h VAL 138 CO 0.04 0.13 -0.47 -0.61 0.02 0.00 0.00 177.57 176.68 2k0f h GLN 139 N 0.58 0.04 -0.21 1.57 4.15 -1.46 -1.03 115.11 118.76 2k0f h GLN 139 Ca 0.16 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 2k0f h GLN 139 Cb -0.02 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 2k0f h GLN 139 CO -0.03 0.51 -0.24 1.98 -1.93 0.00 0.00 178.83 179.11 2k0f h MET 140 N 0.04 0.53 -0.33 1.69 4.05 -1.33 -3.36 114.93 116.23 2k0f h MET 140 Ca -0.00 -0.30 -0.13 0.00 -0.28 0.00 0.00 59.70 58.99 2k0f h MET 140 Cb 0.84 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2k0f h MET 140 CO 0.06 0.89 -0.31 1.98 0.23 0.00 0.00 176.91 179.76 2k0f h MET 141 N 0.21 0.78 -0.01 0.39 1.85 -0.47 -3.51 114.93 114.17 2k0f h MET 141 Ca 0.03 -0.41 0.00 0.00 -0.61 0.00 0.00 59.70 58.71 2k0f h MET 141 Cb 0.81 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.85 2k0f h MET 141 CO 0.06 1.04 0.00 0.25 -0.40 0.00 0.00 176.91 177.85