#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 -0.23 -0.59 -0.78 4.81 -2.05 -2.19 114.58 113.55 2k0f h GLU 2 Ca 0.00 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 2 Cb 0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 2 CO 0.00 -0.15 0.51 1.05 -0.73 0.00 0.00 179.01 179.69 2k0f h GLU 3 N -0.24 0.00 0.17 1.92 9.09 -2.06 0.10 114.58 123.57 2k0f h GLU 3 Ca 0.10 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.21 2k0f h GLU 3 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2k0f h GLU 3 CO -0.68 0.00 -1.39 0.37 0.05 0.00 0.00 179.01 177.37 2k0f h GLN 4 N 0.00 0.36 -0.94 1.06 4.15 -1.84 -2.88 115.11 115.01 2k0f h GLN 4 Ca 0.28 -0.61 0.02 0.00 0.77 0.00 0.00 58.65 59.11 2k0f h GLN 4 Cb 1.29 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 29.16 2k0f h GLN 4 CO -0.00 1.28 0.62 0.82 -1.93 0.00 0.00 178.83 179.62 2k0f h ILE 5 N 0.10 1.22 -0.56 2.39 1.08 -1.33 -1.02 117.51 119.38 2k0f h ILE 5 Ca -0.20 -0.43 0.11 0.00 -0.39 0.00 0.00 64.86 63.95 2k0f h ILE 5 Cb 2.05 -0.14 -0.11 0.00 -3.07 0.00 0.00 36.82 35.54 2k0f h ILE 5 CO 0.22 0.23 -0.18 0.00 -0.69 0.00 0.00 178.15 177.73 2k0f h ALA 6 N 1.36 0.29 -0.20 1.87 0.00 -0.99 -0.22 119.26 121.37 2k0f h ALA 6 Ca 0.36 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 2k0f h ALA 6 Cb -0.10 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 6 CO -0.09 -0.48 -0.04 0.93 0.00 0.00 0.00 179.25 179.57 2k0f h GLU 7 N -0.04 0.38 -0.38 0.00 5.08 -1.25 -1.34 114.58 117.02 2k0f h GLU 7 Ca 0.27 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 7 Cb 0.45 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 7 CO -0.60 0.62 -0.51 0.74 -1.00 0.00 0.00 179.01 178.26 2k0f h PHE 8 N 0.10 -1.55 -1.01 4.33 0.04 -1.12 0.97 116.94 118.70 2k0f h PHE 8 Ca 0.05 0.08 0.20 0.00 2.80 0.00 0.00 57.97 61.10 2k0f h PHE 8 Cb 0.47 0.73 -0.11 0.00 2.20 0.00 0.00 35.95 39.24 2k0f h PHE 8 CO 0.05 -0.45 0.61 0.87 -0.60 0.00 0.00 178.31 178.79 2k0f h LYS 9 N -0.36 0.71 -0.04 1.51 1.57 -1.00 -0.59 116.57 118.37 2k0f h LYS 9 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k0f h LYS 9 Cb 0.54 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2k0f h LYS 9 CO -0.54 0.47 -0.01 1.49 -0.57 0.00 0.00 179.45 180.29 2k0f h GLU 10 N 0.73 0.07 -0.95 3.15 4.57 -0.78 -1.22 114.58 120.15 2k0f h GLU 10 Ca 0.59 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 2k0f h GLU 10 Cb 0.97 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 2k0f h GLU 10 CO -0.40 0.40 0.61 0.00 -1.18 0.00 0.00 179.01 178.44 2k0f h ALA 11 N 0.68 1.29 -0.35 2.92 0.00 -0.17 -1.96 119.26 121.67 2k0f h ALA 11 Ca 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 11 Cb 0.37 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 11 CO 0.00 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 180.10 2k0f h PHE 12 N 1.29 0.67 -0.63 0.00 3.57 -1.09 -1.46 116.94 119.29 2k0f h PHE 12 Ca 0.35 -0.12 0.10 0.00 3.53 0.00 0.00 57.97 61.82 2k0f h PHE 12 Cb -0.12 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.37 2k0f h PHE 12 CO 0.00 0.73 0.25 0.77 -2.23 0.00 0.00 178.31 177.83 2k0f h SER 13 N 0.56 0.25 0.24 0.41 0.02 -0.59 -0.39 113.55 114.06 2k0f h SER 13 Ca 0.10 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2k0f h SER 13 Cb 0.57 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k0f h SER 13 CO 0.04 0.14 -0.12 0.25 -1.14 0.00 0.00 176.83 176.00 2k0f h LEU 14 N 0.43 -0.28 0.03 5.07 5.85 -0.97 -3.39 115.31 122.06 2k0f h LEU 14 Ca 0.32 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 14 Cb 0.40 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2k0f h LEU 14 CO -0.31 0.13 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.61 2k0f h PHE 15 N -0.74 -0.15 -3.18 1.25 -1.00 -1.14 -3.46 116.94 108.53 2k0f h PHE 15 Ca -0.03 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.15 2k0f h PHE 15 Cb 0.50 0.06 -0.08 0.00 3.61 0.00 0.00 35.95 40.04 2k0f h PHE 15 CO 0.04 -0.06 -0.23 0.34 -1.61 0.00 0.00 178.31 176.79 2k0f s ASP 16 N -2.59 6.65 0.28 2.17 -1.08 -0.17 -4.54 116.67 117.40 2k0f s ASP 16 Ca -0.02 0.77 0.17 0.00 -0.52 0.00 0.00 52.55 52.95 2k0f s ASP 16 Cb 0.01 -2.24 0.09 0.00 -1.46 0.00 0.00 42.92 39.32 2k0f s ASP 16 CO 0.06 0.16 1.40 0.50 0.52 0.00 0.00 175.17 177.81 2k0f h LYS 17 N 5.91 0.00 0.00 4.34 3.64 -1.87 -3.37 116.57 125.21 2k0f h LYS 17 Ca -0.45 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.64 2k0f h LYS 17 Cb 1.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2k0f h LYS 17 CO 0.70 0.38 -1.97 -0.25 -2.27 0.00 0.00 179.45 176.04 2k0f n ASP 18 N -3.16 1.64 0.00 4.20 8.00 -1.26 -5.03 116.55 120.95 2k0f n ASP 18 Ca 0.01 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2k0f n ASP 18 Cb 0.70 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 2.12 1.48 0.35 0.44 0.00 -1.26 -5.07 105.19 103.26 2k0f n GLY 19 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.09 116.55 117.49 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.00 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 2.54 -0.90 3.62 6.12 0.00 -1.26 -4.96 105.19 110.36 2k0f n GLY 21 Ca 0.00 0.26 -0.43 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 4.27 -0.47 2.61 -4.23 -1.26 -2.86 115.64 113.70 2k0f s THR 22 Ca 0.00 1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 61.74 2k0f s THR 22 Cb 0.00 -4.41 0.06 0.00 1.34 0.00 0.00 72.50 69.49 2k0f s THR 22 CO 0.00 -0.69 0.45 -0.63 -0.54 0.00 0.00 174.62 173.21 2k0f s ILE 23 N 4.24 5.14 0.65 2.99 1.01 -0.04 -4.94 121.20 130.25 2k0f s ILE 23 Ca 0.50 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2k0f s ILE 23 Cb -0.11 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.24 2k0f s ILE 23 CO 0.24 -0.59 0.98 0.42 0.00 0.00 0.00 174.94 175.99 2k0f s THR 24 N 1.93 3.16 0.14 2.92 -4.23 -1.26 -3.18 115.64 115.11 2k0f s THR 24 Ca 0.08 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 2k0f s THR 24 Cb -0.22 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 2k0f s THR 24 CO 0.09 -0.34 1.62 0.71 -0.54 0.00 0.00 174.62 176.16 2k0f h THR 25 N -0.43 0.35 -0.26 3.99 1.35 -1.95 -2.31 112.91 113.66 2k0f h THR 25 Ca -0.45 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.47 2k0f h THR 25 Cb 1.28 0.35 -0.07 0.00 -1.73 0.00 0.00 68.15 67.97 2k0f h THR 25 CO 0.61 0.00 -0.30 0.11 -0.25 0.00 0.00 175.52 175.69 2k0f h LYS 26 N -0.35 -0.29 -0.19 4.72 1.57 -1.98 0.41 116.57 120.45 2k0f h LYS 26 Ca 0.10 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2k0f h LYS 26 Cb 0.50 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2k0f h LYS 26 CO -0.33 -0.20 -0.19 0.93 -0.57 0.00 0.00 179.45 179.09 2k0f h GLU 27 N -0.31 -0.21 0.00 3.15 5.08 -1.91 -2.10 114.58 118.30 2k0f h GLU 27 Ca 0.13 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 27 Cb 0.52 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 27 CO -0.43 -0.14 -0.58 -0.07 -1.00 0.00 0.00 179.01 176.79 2k0f h LEU 28 N -0.21 0.00 -0.93 1.33 3.38 -1.38 -2.95 115.31 114.55 2k0f h LEU 28 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 28 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 28 CO -0.32 0.58 -0.22 1.23 0.09 0.00 0.00 178.44 179.80 2k0f h GLY 29 N 2.12 0.58 0.82 0.83 0.00 -0.51 -0.93 103.07 105.97 2k0f h GLY 29 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2k0f h GLY 29 CO 0.08 0.42 -0.32 -0.84 0.00 0.00 0.00 176.54 175.88 2k0f h THR 30 N 0.48 0.35 -0.63 4.70 2.02 -1.43 -2.43 112.91 115.97 2k0f h THR 30 Ca 0.07 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.37 2k0f h THR 30 Cb 0.64 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.28 2k0f h THR 30 CO 0.05 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.24 2k0f h VAL 31 N -0.76 0.22 0.00 3.16 2.07 -1.31 0.13 116.25 119.76 2k0f h VAL 31 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 31 Cb 0.63 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2k0f h VAL 31 CO 0.03 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.86 2k0f h MET 32 N -0.10 0.00 0.11 1.57 2.86 -1.20 -1.33 114.93 116.84 2k0f h MET 32 Ca 0.27 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 32 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2k0f h MET 32 CO -0.70 0.00 -1.36 -0.09 1.06 0.00 0.00 176.91 175.82 2k0f h ARG 33 N 0.00 0.23 0.00 1.72 2.43 -0.68 -0.88 114.38 117.20 2k0f h ARG 33 Ca 0.00 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2k0f h ARG 33 Cb 0.23 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 33 CO 0.00 1.13 -0.08 0.77 -1.51 0.00 0.00 179.97 180.29 2k0f h SER 34 N 0.06 0.00 0.00 -3.80 0.02 -0.25 -2.82 113.55 106.76 2k0f h SER 34 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2k0f h SER 34 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2k0f h SER 34 CO 0.18 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 2k0f n LEU 35 N -3.59 0.33 0.00 5.07 4.77 -0.57 -4.47 117.00 118.54 2k0f n LEU 35 Ca -0.02 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2k0f n LEU 35 Cb 0.19 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2k0f n LEU 35 CO 0.28 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2k0f n GLY 36 N 0.61 0.00 3.39 -0.72 0.00 -0.65 -5.09 105.19 102.74 2k0f n GLY 36 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 1.52 -0.70 1.61 -1.52 -0.43 -4.99 119.66 115.16 2k0f s GLN 37 Ca 0.00 -1.82 0.05 0.00 -1.95 0.00 0.00 55.36 51.64 2k0f s GLN 37 Cb 0.00 -0.69 0.20 0.00 -0.22 0.00 0.00 33.01 32.30 2k0f s GLN 37 CO 0.00 -0.18 0.62 0.09 -0.25 0.00 0.00 175.29 175.58 2k0f n ASN 38 N -0.57 3.43 -4.88 5.90 3.02 -1.26 -3.62 115.26 117.28 2k0f n ASN 38 Ca -0.03 -3.31 -0.29 0.00 -0.03 0.00 0.00 54.58 50.93 2k0f n ASN 38 Cb 0.66 -0.75 0.09 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.89 1.89 0.28 3.52 0.04 -1.26 -5.06 135.00 132.53 2k0f s PRO 39 Ca 0.31 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 2k0f s PRO 39 Cb 0.03 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k0f s PRO 39 CO -0.10 -1.66 0.49 0.95 0.04 0.00 0.00 177.00 176.72 2k0f s THR 40 N -3.51 5.12 0.27 1.26 -4.23 -1.26 -5.02 115.64 108.27 2k0f s THR 40 Ca 0.62 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 2k0f s THR 40 Cb -0.12 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 2k0f s THR 40 CO 0.50 -0.36 1.61 -0.08 -0.54 0.00 0.00 174.62 175.75 2k0f h GLU 41 N 1.43 0.06 0.15 3.99 4.81 -1.97 -1.82 114.58 121.23 2k0f h GLU 41 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2k0f h GLU 41 Cb 1.20 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2k0f h GLU 41 CO 0.65 0.64 -0.28 0.00 -0.73 0.00 0.00 179.01 179.29 2k0f h ALA 42 N 1.35 -0.87 -0.30 2.92 0.00 -1.98 0.10 119.26 120.48 2k0f h ALA 42 Ca -0.01 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 42 Cb 1.06 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 42 CO 0.08 -0.91 0.37 1.05 0.00 0.00 0.00 179.25 179.84 2k0f h GLU 43 N -0.46 0.00 0.01 0.00 4.11 -1.98 -1.76 114.58 114.51 2k0f h GLU 43 Ca -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.13 2k0f h GLU 43 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 43 CO -0.10 0.00 -1.63 1.25 0.07 0.00 0.00 179.01 178.59 2k0f h LEU 44 N 0.00 0.04 -0.99 3.06 6.46 -1.15 -2.98 115.31 119.75 2k0f h LEU 44 Ca 0.14 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2k0f h LEU 44 Cb 0.89 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 2k0f h LEU 44 CO -0.00 1.07 -0.34 -0.61 -0.62 0.00 0.00 178.44 177.94 2k0f h GLN 45 N 0.01 0.00 -0.57 1.25 5.75 -0.64 -0.54 115.11 120.37 2k0f h GLN 45 Ca -0.26 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.19 2k0f h GLN 45 Cb 1.99 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.51 2k0f h GLN 45 CO 0.09 0.34 0.15 0.22 -2.65 0.00 0.00 178.83 176.99 2k0f h ASP 46 N 0.00 0.81 -0.15 -0.69 3.58 -1.34 0.12 116.42 118.75 2k0f h ASP 46 Ca -0.00 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2k0f h ASP 46 Cb 0.85 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2k0f h ASP 46 CO 0.04 0.78 -0.00 0.24 -2.88 0.00 0.00 179.24 177.43 2k0f h MET 47 N 0.84 0.27 -0.22 0.28 2.86 -1.23 -3.26 114.93 114.48 2k0f h MET 47 Ca 0.19 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2k0f h MET 47 Cb 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2k0f h MET 47 CO -0.00 0.51 0.08 0.82 1.06 0.00 0.00 176.91 179.38 2k0f h ILE 48 N 0.01 1.17 -1.18 -1.22 2.04 -1.05 -3.28 117.51 114.00 2k0f h ILE 48 Ca 0.04 -0.52 0.41 0.00 1.00 0.00 0.00 64.86 65.80 2k0f h ILE 48 Cb 0.38 1.10 -0.14 0.00 -0.74 0.00 0.00 36.82 37.42 2k0f h ILE 48 CO 0.01 0.17 0.72 0.78 0.00 0.00 0.00 178.15 179.83 2k0f h ASN 49 N 0.20 0.31 -0.24 1.72 2.35 -0.80 -0.62 115.58 118.50 2k0f h ASN 49 Ca 0.07 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2k0f h ASN 49 Cb 0.18 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k0f h ASN 49 CO -0.01 -0.24 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.44 2k0f h GLU 50 N 0.11 0.44 0.00 0.81 4.81 -1.62 -3.31 114.58 115.83 2k0f h GLU 50 Ca 0.81 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 2k0f h GLU 50 Cb 2.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.67 2k0f h GLU 50 CO -0.54 0.63 -0.62 1.33 -0.73 0.00 0.00 179.01 179.07 2k0f n VAL 51 N -4.62 0.06 -2.37 0.32 0.24 -0.81 -4.86 118.33 106.29 2k0f n VAL 51 Ca -0.04 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 2k0f n VAL 51 Cb 0.26 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.25 7.00 -0.21 -1.34 -1.08 -0.30 -4.84 116.67 112.65 2k0f s ASP 52 Ca 0.09 2.02 -0.17 0.00 -0.52 0.00 0.00 52.55 53.98 2k0f s ASP 52 Cb 0.17 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.93 2k0f s ASP 52 CO 0.73 -0.56 -0.08 0.00 0.52 0.00 0.00 175.17 175.78 2k0f n ALA 53 N 4.48 0.84 0.05 3.66 0.00 -1.26 -4.59 120.51 123.69 2k0f n ALA 53 Ca 0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 2k0f n ALA 53 Cb 0.45 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 -0.02 0.00 0.00 3.04 -1.92 -3.48 116.42 113.03 2k0f h ASP 54 Ca -0.34 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2k0f h ASP 54 Cb 1.20 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2k0f h ASP 54 CO -0.20 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.62 2k0f n GLY 55 N -1.03 1.64 0.02 7.15 0.00 -1.26 -5.03 105.19 106.69 2k0f n GLY 55 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.47 0.00 1.61 0.23 -1.26 -4.99 115.26 111.32 2k0f n ASN 56 Ca 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 2k0f n ASN 56 Cb 0.00 1.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.98 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.33 0.66 3.52 4.83 0.00 -1.26 -5.06 105.19 109.21 2k0f n GLY 57 Ca -0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 2.85 -0.09 2.61 -4.23 -1.26 -4.72 115.64 108.80 2k0f s THR 58 Ca 0.00 -1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 58.38 2k0f s THR 58 Cb 0.00 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 2k0f s THR 58 CO 0.00 -0.16 0.76 -0.51 -0.54 0.00 0.00 174.62 174.17 2k0f s ILE 59 N -1.82 4.98 0.31 2.99 2.07 -1.19 -4.80 121.20 123.73 2k0f s ILE 59 Ca 0.24 1.55 0.05 0.00 -1.41 0.00 0.00 60.65 61.09 2k0f s ILE 59 Cb -0.08 -4.09 0.05 0.00 0.13 0.00 0.00 42.46 38.47 2k0f s ILE 59 CO 0.14 0.17 0.42 0.47 -1.91 0.00 0.00 174.94 174.23 2k0f n ASP 60 N 4.26 1.10 -0.21 4.50 9.92 -1.26 -0.86 116.55 133.99 2k0f n ASP 60 Ca 0.01 -1.80 -0.07 0.00 -0.53 0.00 0.00 54.79 52.40 2k0f n ASP 60 Cb 0.50 -0.23 0.03 0.00 -0.64 0.00 0.00 41.12 40.79 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N 0.04 0.89 0.00 1.24 3.57 -1.90 -0.58 116.94 120.21 2k0f h PHE 61 Ca -0.14 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 61 Cb 0.65 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2k0f h PHE 61 CO 0.00 0.71 0.00 -1.35 -2.23 0.00 0.00 178.31 175.44 2k0f h PRO 62 N 0.82 0.00 0.06 6.41 0.11 -1.96 -0.16 132.00 137.28 2k0f h PRO 62 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2k0f h PRO 62 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2k0f h PRO 62 CO -0.02 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.67 2k0f h GLU 63 N 0.00 -0.08 -0.22 1.05 5.08 -1.84 -1.23 114.58 117.35 2k0f h GLU 63 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 63 Cb 0.35 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 63 CO 0.00 0.52 -0.48 0.35 -1.00 0.00 0.00 179.01 178.40 2k0f h PHE 64 N -0.80 -1.44 -0.32 4.33 3.57 -0.90 -0.73 116.94 120.64 2k0f h PHE 64 Ca -0.01 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.65 2k0f h PHE 64 Cb 0.63 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2k0f h PHE 64 CO 0.14 -0.45 0.26 -0.07 -2.23 0.00 0.00 178.31 175.96 2k0f h LEU 65 N -0.44 0.00 0.03 0.59 3.38 -1.07 0.16 115.31 117.96 2k0f h LEU 65 Ca 0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 2k0f h LEU 65 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2k0f h LEU 65 CO -0.44 0.00 -1.44 0.74 0.09 0.00 0.00 178.44 177.40 2k0f h THR 66 N 0.00 1.21 -0.29 0.22 2.02 -1.11 -3.32 112.91 111.64 2k0f h THR 66 Ca 0.15 -2.96 -0.12 0.00 0.77 0.00 0.00 66.41 64.26 2k0f h THR 66 Cb 0.68 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2k0f h THR 66 CO -0.00 0.74 -0.29 -0.03 0.37 0.00 0.00 175.52 176.32 2k0f h MET 67 N 0.02 0.71 -0.09 6.66 1.85 -0.50 -2.87 114.93 120.70 2k0f h MET 67 Ca -0.19 -0.37 0.00 0.00 -0.61 0.00 0.00 59.70 58.53 2k0f h MET 67 Cb 1.93 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.98 2k0f h MET 67 CO 0.12 0.99 0.00 -1.33 -0.40 0.00 0.00 176.91 176.28 2k0f n MET 68 N -4.26 1.25 -0.01 0.39 2.81 0.50 -2.78 117.12 115.02 2k0f n MET 68 Ca -0.04 -0.39 0.04 0.00 -1.81 0.00 0.00 57.70 55.50 2k0f n MET 68 Cb 0.47 -1.18 -0.07 0.00 -0.71 0.00 0.00 33.22 31.73 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -0.27 2.30 -2.64 3.04 0.00 -1.12 -5.01 120.51 116.81 2k0f n ALA 69 Ca 0.08 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2k0f n ALA 69 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.60 4.07 0.08 0.00 3.52 -1.10 -5.00 118.95 117.92 2k0f s ARG 70 Ca -0.03 0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 56.26 2k0f s ARG 70 Cb 0.06 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 2k0f s ARG 70 CO 0.38 -0.81 0.98 0.15 -0.81 0.00 0.00 175.30 175.18 2k0f s LYS 71 N 3.43 4.65 0.00 5.12 1.02 -1.26 -5.04 119.74 127.65 2k0f s LYS 71 Ca 0.42 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.87 2k0f s LYS 71 Cb -0.13 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2k0f s LYS 71 CO 0.13 0.12 0.00 -1.33 -0.92 0.00 0.00 175.35 173.35 2k0f n MET 72 N 3.14 3.43 -2.28 1.68 2.81 -1.26 -5.10 117.12 119.54 2k0f n MET 72 Ca 0.04 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.67 2k0f n MET 72 Cb 0.50 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.06 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 1.92 2.42 0.55 0.03 1.02 -1.26 -4.93 119.74 119.49 2k0f s LYS 73 Ca 0.00 -0.22 0.33 0.00 0.02 0.00 0.00 55.97 56.10 2k0f s LYS 73 Cb 0.00 -2.22 1.46 0.00 -0.52 0.00 0.00 37.83 36.55 2k0f s LYS 73 CO 0.00 -1.06 2.03 -0.44 -0.92 0.00 0.00 175.35 174.96 2k0f h ASP 74 N -0.44 0.00 0.09 2.83 3.32 -1.99 -0.99 116.42 119.24 2k0f h ASP 74 Ca -0.45 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 2k0f h ASP 74 Cb 1.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 74 CO 0.60 0.06 -1.75 0.71 -1.72 0.00 0.00 179.24 177.14 2k0f h THR 75 N 0.00 0.74 -0.48 0.35 1.35 -2.00 -3.32 112.91 109.55 2k0f h THR 75 Ca -0.00 -2.30 0.06 0.00 -0.55 0.00 0.00 66.41 63.62 2k0f h THR 75 Cb 0.45 2.44 -0.05 0.00 -1.73 0.00 0.00 68.15 69.26 2k0f h THR 75 CO 0.01 0.72 0.18 0.44 -0.25 0.00 0.00 175.52 176.62 2k0f h ASP 76 N -0.26 0.20 -0.49 5.36 3.32 -1.93 -1.93 116.42 120.70 2k0f h ASP 76 Ca -0.39 0.05 0.04 0.00 0.02 0.00 0.00 57.03 56.75 2k0f h ASP 76 Cb 1.81 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 41.33 2k0f h ASP 76 CO 0.00 0.15 -0.29 -0.24 -1.72 0.00 0.00 179.24 177.14 2k0f n SER 77 N -4.99 -0.52 0.08 6.45 2.88 -0.39 -0.58 113.62 116.55 2k0f n SER 77 Ca 0.05 0.93 0.02 0.00 -1.33 0.00 0.00 58.87 58.53 2k0f n SER 77 Cb 0.18 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 2k0f n SER 77 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2k0f h GLU 78 N 0.00 0.00 -0.38 -1.46 5.08 -1.56 -3.15 114.58 113.11 2k0f h GLU 78 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 78 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 78 CO -0.46 0.34 0.13 1.49 -1.00 0.00 0.00 179.01 179.50 2k0f h GLU 79 N 0.00 0.58 -0.90 2.33 4.81 -1.13 -3.11 114.58 117.17 2k0f h GLU 79 Ca -0.09 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 79 Cb 1.46 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 2k0f h GLU 79 CO 0.05 0.58 0.58 1.49 -0.73 0.00 0.00 179.01 180.99 2k0f h GLU 80 N 0.46 1.11 -0.56 1.92 4.81 -0.88 0.13 114.58 121.57 2k0f h GLU 80 Ca 0.12 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 80 Cb 0.24 -0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.28 2k0f h GLU 80 CO -0.01 0.74 0.07 0.82 -0.73 0.00 0.00 179.01 179.90 2k0f h ILE 81 N 1.15 0.62 -0.26 2.32 1.08 -1.61 -1.47 117.51 119.34 2k0f h ILE 81 Ca 0.35 -0.07 -0.13 0.00 -0.39 0.00 0.00 64.86 64.62 2k0f h ILE 81 Cb -0.02 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 2k0f h ILE 81 CO -0.11 0.04 -0.34 -0.09 -0.69 0.00 0.00 178.15 176.95 2k0f h ARG 82 N 0.20 0.70 0.00 2.37 2.43 -1.36 -1.23 114.38 117.49 2k0f h ARG 82 Ca 0.29 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2k0f h ARG 82 Cb 0.44 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2k0f h ARG 82 CO -0.41 1.02 -0.05 0.93 -1.51 0.00 0.00 179.97 179.94 2k0f h GLU 83 N 0.43 0.00 -0.47 0.20 4.39 -0.71 -1.58 114.58 116.84 2k0f h GLU 83 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2k0f h GLU 83 Cb 0.93 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2k0f h GLU 83 CO 0.08 0.05 0.20 0.00 -1.16 0.00 0.00 179.01 178.18 2k0f h ALA 84 N 1.95 0.61 -0.44 3.43 0.00 -0.97 -3.10 119.26 120.74 2k0f h ALA 84 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 84 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k0f h ALA 84 CO 0.01 0.20 0.25 0.35 0.00 0.00 0.00 179.25 180.06 2k0f h PHE 85 N 0.62 0.58 0.00 0.00 3.04 -0.72 -3.05 116.94 117.40 2k0f h PHE 85 Ca 0.16 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 2k0f h PHE 85 Cb 0.17 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 2k0f h PHE 85 CO -0.00 0.40 -0.38 -0.09 -2.02 0.00 0.00 178.31 176.22 2k0f h ARG 86 N 0.61 0.00 -0.65 1.11 2.43 -1.23 0.16 114.38 116.81 2k0f h ARG 86 Ca 0.16 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.46 2k0f h ARG 86 Cb 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 2k0f h ARG 86 CO -0.03 0.38 0.11 0.28 -1.51 0.00 0.00 179.97 179.20 2k0f h VAL 87 N 0.00 0.56 0.04 0.20 2.07 -1.55 -3.28 116.25 114.30 2k0f h VAL 87 Ca -0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 87 Cb 0.69 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 87 CO 0.05 0.04 -0.02 -0.26 0.02 0.00 0.00 177.57 177.40 2k0f h PHE 88 N 0.23 -0.05 -2.04 1.57 0.04 -1.14 -3.42 116.94 112.13 2k0f h PHE 88 Ca 0.35 -0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.58 2k0f h PHE 88 Cb 0.56 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.65 2k0f h PHE 88 CO -0.28 0.61 1.16 0.34 -0.60 0.00 0.00 178.31 179.54 2k0f s ASP 89 N -5.85 6.06 -0.04 2.17 2.15 0.40 -4.74 116.67 116.82 2k0f s ASP 89 Ca -0.16 -0.52 -0.26 0.00 0.43 0.00 0.00 52.55 52.05 2k0f s ASP 89 Cb -0.01 -2.56 -0.20 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 89 CO 0.60 -1.89 1.17 0.50 -0.17 0.00 0.00 175.17 175.37 2k0f h LYS 90 N 10.71 -0.05 0.02 4.34 3.64 -1.82 -3.35 116.57 130.06 2k0f h LYS 90 Ca -0.18 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 90 Cb 1.06 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2k0f h LYS 90 CO 1.29 0.48 -0.26 0.38 -2.27 0.00 0.00 179.45 179.07 2k0f h ASP 91 N -0.60 0.20 0.00 4.20 2.03 -1.93 -3.49 116.42 116.83 2k0f h ASP 91 Ca -0.00 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 2k0f h ASP 91 Cb 0.54 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2k0f h ASP 91 CO 0.01 1.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.85 2k0f n GLY 92 N 1.25 0.67 0.00 7.15 0.00 -1.26 -5.00 105.19 108.01 2k0f n GLY 92 Ca -0.10 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.72 0.00 1.61 6.94 -1.26 -4.97 115.26 118.31 2k0f n ASN 93 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 2k0f n ASN 93 Cb 0.00 1.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.70 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.43 0.27 3.56 4.83 0.00 -1.26 -5.07 105.19 108.95 2k0f n GLY 94 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 2.84 -0.24 1.61 2.02 -1.26 -3.59 117.35 116.74 2k0f s TYR 95 Ca 0.00 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.54 2k0f s TYR 95 Cb 0.00 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2k0f s TYR 95 CO 0.00 0.31 0.14 0.42 -1.57 0.00 0.00 175.55 174.85 2k0f s ILE 96 N -0.88 5.19 0.52 2.71 1.01 -0.45 -4.71 121.20 124.59 2k0f s ILE 96 Ca 0.14 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.96 2k0f s ILE 96 Cb -0.11 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 38.99 2k0f s ILE 96 CO 0.04 0.35 0.72 -0.94 0.00 0.00 0.00 174.94 175.11 2k0f s SER 97 N 1.06 5.31 0.34 3.58 1.04 -1.26 -3.08 113.70 120.69 2k0f s SER 97 Ca 0.07 -0.31 0.13 0.00 0.48 0.00 0.00 55.95 56.31 2k0f s SER 97 Cb -0.14 -0.55 0.61 0.00 0.10 0.00 0.00 66.02 66.05 2k0f s SER 97 CO 0.04 -1.10 1.76 0.00 0.98 0.00 0.00 173.24 174.92 2k0f h ALA 98 N 0.24 1.22 0.36 5.32 0.00 -1.99 -2.87 119.26 121.54 2k0f h ALA 98 Ca -0.39 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 98 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 98 CO 0.47 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 180.10 2k0f h ALA 99 N 1.55 -0.48 -0.06 0.00 0.00 -1.99 -3.08 119.26 115.20 2k0f h ALA 99 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 99 Cb 0.81 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 99 CO 0.06 -0.58 -0.08 0.93 0.00 0.00 0.00 179.25 179.58 2k0f h GLU 100 N -0.86 0.09 0.08 0.00 5.08 -1.87 0.29 114.58 117.39 2k0f h GLU 100 Ca -0.05 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 100 Cb 0.53 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 100 CO 0.08 0.17 -0.69 1.25 -1.00 0.00 0.00 179.01 178.82 2k0f h LEU 101 N 0.08 0.47 -0.59 1.33 5.85 -1.59 -0.56 115.31 120.30 2k0f h LEU 101 Ca 0.02 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 2k0f h LEU 101 Cb 0.20 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2k0f h LEU 101 CO 0.01 1.30 0.33 0.03 -0.34 0.00 0.00 178.44 179.77 2k0f h ARG 102 N -0.30 0.82 -0.36 1.25 3.08 -1.40 -2.41 114.38 115.05 2k0f h ARG 102 Ca -0.11 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 2k0f h ARG 102 Cb 1.48 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2k0f h ARG 102 CO 0.13 0.62 -0.30 0.45 -1.07 0.00 0.00 179.97 179.79 2k0f h HIS 103 N 0.80 0.99 -0.84 3.04 3.86 -0.86 -2.10 115.15 120.05 2k0f h HIS 103 Ca 0.21 -0.29 0.15 0.00 -1.16 0.00 0.00 60.37 59.29 2k0f h HIS 103 Cb 0.03 -0.21 -0.10 0.00 1.06 0.00 0.00 27.41 28.19 2k0f h HIS 103 CO -0.01 1.07 0.41 -0.24 0.86 0.00 0.00 177.93 180.02 2k0f h VAL 104 N 0.63 0.70 -0.93 2.45 3.04 -1.06 0.21 116.25 121.29 2k0f h VAL 104 Ca 0.06 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 2k0f h VAL 104 Cb 0.88 0.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.19 2k0f h VAL 104 CO 0.08 0.10 0.57 0.24 -1.01 0.00 0.00 177.57 177.55 2k0f h MET 105 N 0.57 1.25 0.00 4.17 2.86 -1.39 0.21 114.93 122.61 2k0f h MET 105 Ca 0.46 -0.11 -0.22 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 105 Cb 0.68 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2k0f h MET 105 CO -0.38 0.87 -0.94 1.15 1.06 0.00 0.00 176.91 178.67 2k0f h THR 106 N 1.28 1.42 -0.59 2.22 2.02 -0.49 -0.37 112.91 118.39 2k0f h THR 106 Ca 0.33 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.00 2k0f h THR 106 Cb -0.07 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2k0f h THR 106 CO -0.06 0.74 0.25 0.78 0.37 0.00 0.00 175.52 177.60 2k0f h ASN 107 N 0.21 0.80 1.12 4.18 2.35 -0.28 -3.14 115.58 120.82 2k0f h ASN 107 Ca -0.07 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.35 2k0f h ASN 107 Cb 1.57 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 2k0f h ASN 107 CO 0.16 0.74 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.79 2k0f h LEU 108 N 0.81 0.00 0.00 1.61 3.38 -0.95 -3.44 115.31 116.72 2k0f h LEU 108 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k0f h LEU 108 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k0f h LEU 108 CO -0.02 0.82 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2k0f n GLY 109 N 1.23 1.03 3.77 0.83 0.00 -0.49 -5.05 105.19 106.50 2k0f n GLY 109 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.18 4.57 -0.80 1.61 0.41 -0.27 -4.99 118.70 119.05 2k0f s GLU 110 Ca 0.00 1.17 -0.03 0.00 -0.41 0.00 0.00 54.97 55.70 2k0f s GLU 110 Cb 0.00 -3.29 0.20 0.00 -1.78 0.00 0.00 34.13 29.26 2k0f s GLU 110 CO 0.00 0.49 0.67 0.15 -0.49 0.00 0.00 175.26 176.08 2k0f s LYS 111 N -0.84 3.09 0.31 1.61 1.02 -1.26 -4.18 119.74 119.48 2k0f s LYS 111 Ca 0.37 -2.97 -0.07 0.00 0.02 0.00 0.00 55.97 53.33 2k0f s LYS 111 Cb -0.23 -3.93 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 2k0f s LYS 111 CO 0.26 -1.24 0.60 -0.51 -0.92 0.00 0.00 175.35 173.55 2k0f s LEU 112 N -0.80 4.02 0.34 3.17 1.02 -1.26 -5.05 118.68 120.12 2k0f s LEU 112 Ca 0.23 0.84 -0.28 0.00 0.02 0.00 0.00 54.13 54.94 2k0f s LEU 112 Cb -0.12 -3.66 -0.10 0.00 0.02 0.00 0.00 46.19 42.33 2k0f s LEU 112 CO -0.09 -0.23 1.22 0.42 0.02 0.00 0.00 176.35 177.69 2k0f s THR 113 N -2.11 3.02 0.15 5.49 -4.23 -1.26 -4.98 115.64 111.71 2k0f s THR 113 Ca 0.46 0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 61.78 2k0f s THR 113 Cb -0.11 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2k0f s THR 113 CO 0.29 0.19 1.78 -0.78 -0.54 0.00 0.00 174.62 175.56 2k0f h ASP 114 N 3.26 0.46 -0.81 3.99 3.58 -2.01 -1.85 116.42 123.05 2k0f h ASP 114 Ca -0.48 -0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.00 2k0f h ASP 114 Cb 1.23 -0.12 -0.07 0.00 1.72 0.00 0.00 39.33 42.09 2k0f h ASP 114 CO 0.65 0.38 0.46 -0.08 -2.88 0.00 0.00 179.24 177.77 2k0f h GLU 115 N 0.51 0.77 0.00 0.28 4.81 -2.00 -2.58 114.58 116.37 2k0f h GLU 115 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 115 Cb -0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2k0f h GLU 115 CO -0.03 0.51 0.00 1.49 -0.73 0.00 0.00 179.01 180.25 2k0f h GLU 116 N 0.79 0.00 0.16 1.92 4.81 -1.73 -2.46 114.58 118.06 2k0f h GLU 116 Ca 0.38 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 116 Cb 0.33 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 116 CO -0.23 0.00 -1.08 0.28 -0.73 0.00 0.00 179.01 177.24 2k0f h VAL 117 N 0.00 1.39 0.00 0.32 2.07 -1.24 -2.91 116.25 115.88 2k0f h VAL 117 Ca 0.00 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 64.97 2k0f h VAL 117 Cb 0.25 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2k0f h VAL 117 CO 0.00 0.74 -0.10 0.44 0.02 0.00 0.00 177.57 178.67 2k0f h ASP 118 N -0.06 0.00 -0.63 0.57 3.32 -1.47 -2.37 116.42 115.79 2k0f h ASP 118 Ca -0.18 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 2k0f h ASP 118 Cb 1.83 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.35 2k0f h ASP 118 CO 0.20 0.10 0.13 -0.33 -1.72 0.00 0.00 179.24 177.63 2k0f h GLU 119 N 0.00 1.04 -0.02 3.56 4.39 -1.33 -1.43 114.58 120.80 2k0f h GLU 119 Ca -0.00 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 119 Cb 0.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2k0f h GLU 119 CO 0.01 0.94 -0.07 0.52 -1.16 0.00 0.00 179.01 179.25 2k0f h MET 120 N 0.98 -0.11 0.09 2.33 2.86 -1.24 -1.51 114.93 118.33 2k0f h MET 120 Ca 0.20 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 120 Cb 0.39 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2k0f h MET 120 CO 0.01 -0.07 -0.43 0.82 1.06 0.00 0.00 176.91 178.29 2k0f h ILE 121 N -0.11 0.00 -0.74 -1.22 1.08 -1.30 0.36 117.51 115.58 2k0f h ILE 121 Ca 0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 2k0f h ILE 121 Cb 0.16 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.79 2k0f h ILE 121 CO -0.09 0.00 -0.44 0.03 -0.69 0.00 0.00 178.15 176.96 2k0f h ARG 122 N -0.61 -0.13 -0.54 2.37 3.08 -1.25 -0.54 114.38 116.76 2k0f h ARG 122 Ca -0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2k0f h ARG 122 Cb 0.62 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2k0f h ARG 122 CO -0.24 -0.09 0.10 1.49 -1.07 0.00 0.00 179.97 180.16 2k0f h GLU 123 N -0.14 0.84 -0.06 0.04 4.81 -1.22 -3.32 114.58 115.52 2k0f h GLU 123 Ca 0.22 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 123 Cb 0.55 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2k0f h GLU 123 CO -0.80 0.78 0.02 0.00 -0.73 0.00 0.00 179.01 178.28 2k0f h ALA 124 N 1.31 0.08 -2.20 2.92 0.00 -0.03 -3.45 119.26 117.88 2k0f h ALA 124 Ca 0.17 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 54.38 2k0f h ALA 124 Cb 0.34 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.17 2k0f h ALA 124 CO 0.00 -0.32 0.71 -3.47 0.00 0.00 0.00 179.25 176.17 2k0f n ASP 125 N -4.94 2.82 -0.11 0.00 2.03 -0.29 -4.84 116.55 111.22 2k0f n ASP 125 Ca -0.06 1.10 -0.18 0.00 0.52 0.00 0.00 54.79 56.16 2k0f n ASP 125 Cb 0.12 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 39.06 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 2.99 1.45 0.37 5.18 5.41 -1.26 -4.85 119.36 128.65 2k0f n ILE 126 Ca 0.16 -0.11 -0.17 0.00 1.00 0.00 0.00 62.75 63.63 2k0f n ILE 126 Cb 0.28 -2.07 -0.08 0.00 -0.71 0.00 0.00 39.64 37.06 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 -0.93 -0.80 0.00 4.38 3.04 -1.95 -3.48 116.42 116.68 2k0f h ASP 127 Ca -0.34 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 127 Cb 1.26 0.21 0.00 0.00 -1.04 0.00 0.00 39.33 39.76 2k0f h ASP 127 CO -0.21 -0.48 0.00 0.61 -2.04 0.00 0.00 179.24 177.12 2k0f n GLY 128 N -1.07 0.00 0.09 7.15 0.00 -1.26 -5.07 105.19 105.04 2k0f n GLY 128 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 0.05 0.00 1.61 2.03 -1.98 -3.47 116.42 114.66 2k0f h ASP 129 Ca 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2k0f h ASP 129 Cb 0.00 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2k0f h ASP 129 CO 0.00 0.90 0.00 0.61 -1.03 0.00 0.00 179.24 179.72 2k0f n GLY 130 N 0.98 0.84 3.49 7.15 0.00 -1.26 -5.06 105.19 111.33 2k0f n GLY 130 Ca -0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.83 3.72 -0.32 1.61 -1.52 -1.26 -4.82 119.66 116.23 2k0f s GLN 131 Ca 0.00 -0.46 -0.22 0.00 -1.95 0.00 0.00 55.36 52.73 2k0f s GLN 131 Cb 0.00 -3.24 -0.00 0.00 -0.22 0.00 0.00 33.01 29.55 2k0f s GLN 131 CO 0.00 -0.03 0.72 0.08 -0.25 0.00 0.00 175.29 175.81 2k0f s VAL 132 N 1.17 4.84 0.23 1.09 1.01 -1.18 -4.87 120.40 122.70 2k0f s VAL 132 Ca 0.04 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.02 2k0f s VAL 132 Cb -0.14 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2k0f s VAL 132 CO 0.03 -0.24 0.32 -0.46 0.00 0.00 0.00 175.10 174.74 2k0f n ASN 133 N 6.11 0.71 -0.09 3.32 0.23 -1.26 -1.35 115.26 122.93 2k0f n ASN 133 Ca 0.02 -1.53 -0.14 0.00 -0.53 0.00 0.00 54.58 52.39 2k0f n ASN 133 Cb 0.48 -0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 37.96 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 -0.10 1.02 -0.45 -2.53 3.20 -1.96 -1.40 116.97 114.75 2k0f h TYR 134 Ca -0.11 -0.34 0.08 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 0.46 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 2k0f h TYR 134 CO 0.00 1.15 0.08 0.93 -1.64 0.00 0.00 178.16 178.68 2k0f h GLU 135 N 0.61 0.21 0.00 1.82 4.39 -1.96 0.56 114.58 120.20 2k0f h GLU 135 Ca 0.03 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 135 Cb 1.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2k0f h GLU 135 CO 0.10 0.14 -0.24 0.93 -1.16 0.00 0.00 179.01 178.78 2k0f h GLU 136 N 0.21 0.00 0.08 2.33 5.08 -1.80 -2.31 114.58 118.18 2k0f h GLU 136 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 136 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 136 CO -0.30 0.24 -0.04 0.35 -1.00 0.00 0.00 179.01 178.26 2k0f h PHE 137 N 0.00 -0.10 0.00 4.33 3.57 -0.48 -3.26 116.94 120.99 2k0f h PHE 137 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 0.62 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2k0f h PHE 137 CO 0.00 0.44 -0.03 0.28 -2.23 0.00 0.00 178.31 176.77 2k0f h VAL 138 N -0.87 0.18 0.01 1.41 2.07 -0.71 -1.98 116.25 116.35 2k0f h VAL 138 Ca -0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2k0f h VAL 138 Cb 0.59 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2k0f h VAL 138 CO 0.02 0.03 -0.00 -0.61 0.02 0.00 0.00 177.57 177.03 2k0f h GLN 139 N 0.00 -0.01 -1.01 1.57 4.15 -1.47 -0.10 115.11 118.25 2k0f h GLN 139 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 2k0f h GLN 139 Cb 0.24 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.84 2k0f h GLN 139 CO 0.00 0.62 0.62 0.52 -1.93 0.00 0.00 178.83 178.67 2k0f h MET 140 N -0.66 0.87 0.04 1.69 2.86 -1.53 -3.05 114.93 115.15 2k0f h MET 140 Ca -0.00 -0.05 -0.25 0.00 -2.06 0.00 0.00 59.70 57.34 2k0f h MET 140 Cb 0.64 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 140 CO 0.00 0.58 -1.05 0.52 1.06 0.00 0.00 176.91 178.02 2k0f h MET 141 N 0.90 0.44 0.00 1.72 2.86 -1.18 -3.52 114.93 116.15 2k0f h MET 141 Ca 0.54 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 141 Cb 0.67 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2k0f h MET 141 CO -0.32 1.18 0.00 0.25 1.06 0.00 0.00 176.91 179.09