#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 -0.04 -0.62 -2.82 3.07 -2.05 -2.12 114.58 110.01 2k0f h GLU 2 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2k0f h GLU 2 Cb 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2k0f h GLU 2 CO 0.00 -0.02 0.04 1.49 -1.40 0.00 0.00 179.01 179.11 2k0f h GLU 3 N -0.04 1.06 -0.48 2.33 4.57 -2.05 -0.20 114.58 119.77 2k0f h GLU 3 Ca 0.25 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 2k0f h GLU 3 Cb 0.41 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2k0f h GLU 3 CO -0.55 1.02 -0.23 1.96 -1.18 0.00 0.00 179.01 180.03 2k0f h GLN 4 N 0.97 1.00 -0.00 1.92 7.50 -1.87 0.53 115.11 125.15 2k0f h GLN 4 Ca 0.18 -0.44 0.01 0.00 0.50 0.00 0.00 58.65 58.90 2k0f h GLN 4 Cb 0.52 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 2k0f h GLN 4 CO 0.02 1.11 -0.21 0.82 -1.50 0.00 0.00 178.83 179.08 2k0f h ILE 5 N 0.86 0.00 -0.98 2.54 1.08 -1.44 -3.13 117.51 116.44 2k0f h ILE 5 Ca 0.11 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.87 2k0f h ILE 5 Cb 0.81 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.42 2k0f h ILE 5 CO 0.07 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 178.05 2k0f h ALA 6 N -1.09 1.81 -0.14 1.87 0.00 -0.24 0.21 119.26 121.68 2k0f h ALA 6 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 6 Cb 0.28 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k0f h ALA 6 CO -0.14 -0.49 -0.74 1.49 0.00 0.00 0.00 179.25 179.38 2k0f h GLU 7 N 0.36 0.76 0.16 0.00 4.81 -0.96 -0.98 114.58 118.73 2k0f h GLU 7 Ca 0.69 -0.62 -0.29 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 7 Cb 1.49 0.13 0.01 0.00 0.63 0.00 0.00 28.75 31.01 2k0f h GLU 7 CO -0.58 1.23 -1.29 0.35 -0.73 0.00 0.00 179.01 177.98 2k0f h PHE 8 N 0.47 0.64 -0.31 0.92 3.57 -1.44 -1.39 116.94 119.41 2k0f h PHE 8 Ca -0.05 -0.46 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 8 Cb 1.37 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 2k0f h PHE 8 CO 0.09 1.35 0.13 -0.22 -2.23 0.00 0.00 178.31 177.43 2k0f h LYS 9 N 0.10 0.42 0.13 1.11 3.64 -0.54 -1.17 116.57 120.27 2k0f h LYS 9 Ca -0.16 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 58.89 2k0f h LYS 9 Cb 2.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2k0f h LYS 9 CO 0.22 0.35 -1.27 1.49 -2.27 0.00 0.00 179.45 177.97 2k0f h GLU 10 N 0.43 0.27 -0.98 1.90 4.81 -0.94 -3.15 114.58 116.92 2k0f h GLU 10 Ca 0.11 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 10 Cb 0.08 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2k0f h GLU 10 CO -0.01 1.21 0.61 0.00 -0.73 0.00 0.00 179.01 180.09 2k0f h ALA 11 N 0.57 1.24 -0.60 2.92 0.00 -1.05 -2.36 119.26 119.98 2k0f h ALA 11 Ca -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 11 Cb 1.98 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 11 CO 0.20 0.67 0.40 0.35 0.00 0.00 0.00 179.25 180.87 2k0f h PHE 12 N 1.34 0.59 0.00 0.00 3.57 -1.17 -2.60 116.94 118.67 2k0f h PHE 12 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2k0f h PHE 12 Cb -0.10 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2k0f h PHE 12 CO 0.00 0.32 0.00 0.77 -2.23 0.00 0.00 178.31 177.17 2k0f h SER 13 N 0.59 0.00 0.34 0.41 0.02 -1.45 -1.04 113.55 112.41 2k0f h SER 13 Ca 0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2k0f h SER 13 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2k0f h SER 13 CO -0.08 0.00 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.16 2k0f h LEU 14 N 0.00 0.07 0.00 5.07 3.38 -1.49 -3.39 115.31 118.95 2k0f h LEU 14 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 14 Cb 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k0f h LEU 14 CO 0.00 0.45 0.00 0.49 0.09 0.00 0.00 178.44 179.47 2k0f n PHE 15 N -4.07 0.00 -1.88 1.13 3.72 -0.66 -4.51 117.46 111.20 2k0f n PHE 15 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 2k0f n PHE 15 Cb 0.43 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -3.39 5.97 0.01 4.37 2.15 -0.49 -4.61 116.67 120.69 2k0f s ASP 16 Ca 0.00 1.74 0.02 0.00 0.43 0.00 0.00 52.55 54.74 2k0f s ASP 16 Cb 0.00 -2.52 -0.25 0.00 -0.30 0.00 0.00 42.92 39.84 2k0f s ASP 16 CO 0.00 -1.57 0.88 0.11 -0.17 0.00 0.00 175.17 174.42 2k0f h LYS 17 N 12.61 0.16 0.18 4.34 1.79 -1.87 -3.38 116.57 130.39 2k0f h LYS 17 Ca -0.38 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 57.82 2k0f h LYS 17 Cb 1.19 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2k0f h LYS 17 CO 0.99 0.97 -0.08 -0.44 -1.08 0.00 0.00 179.45 179.81 2k0f h ASP 18 N 0.04 -0.20 0.00 0.86 3.32 -1.90 -3.49 116.42 115.05 2k0f h ASP 18 Ca -0.22 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 18 Cb 1.97 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.57 2k0f h ASP 18 CO 0.14 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 2k0f n GLY 19 N 0.48 0.85 0.06 2.75 0.00 -1.26 -5.05 105.19 103.01 2k0f n GLY 19 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 3.10 0.00 1.61 5.68 -1.26 -5.04 116.55 120.64 2k0f n ASP 20 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 2k0f n ASP 20 Cb 0.00 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 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 2.96 0.79 3.23 6.12 0.00 -1.26 -5.13 105.19 111.89 2k0f n GLY 21 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.52 1.37 -0.04 2.61 -4.23 -1.26 -3.10 115.64 109.47 2k0f s THR 22 Ca 0.00 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 2k0f s THR 22 Cb 0.00 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 2k0f s THR 22 CO 0.00 -0.21 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.20 2k0f s ILE 23 N -1.41 3.84 0.57 2.99 1.01 -0.14 -4.67 121.20 123.39 2k0f s ILE 23 Ca 0.03 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.23 2k0f s ILE 23 Cb -0.09 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.83 2k0f s ILE 23 CO 0.03 0.52 0.63 0.42 0.00 0.00 0.00 174.94 176.54 2k0f s THR 24 N -0.90 1.86 0.52 2.92 -4.23 -1.26 -2.65 115.64 111.90 2k0f s THR 24 Ca 0.15 -1.23 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 2k0f s THR 24 Cb -0.11 -2.09 0.27 0.00 1.34 0.00 0.00 72.50 71.91 2k0f s THR 24 CO 0.04 0.00 2.14 0.71 -0.54 0.00 0.00 174.62 176.98 2k0f h THR 25 N 0.41 0.94 -0.16 3.99 1.35 -1.90 0.19 112.91 117.73 2k0f h THR 25 Ca -0.32 -0.08 -0.09 0.00 -0.55 0.00 0.00 66.41 65.37 2k0f h THR 25 Cb 1.30 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2k0f h THR 25 CO 0.48 0.02 -0.23 0.11 -0.25 0.00 0.00 175.52 175.65 2k0f h LYS 26 N 0.00 0.44 0.09 4.72 1.57 -1.98 -0.26 116.57 121.16 2k0f h LYS 26 Ca -0.00 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2k0f h LYS 26 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2k0f h LYS 26 CO 0.00 0.85 -0.04 0.93 -0.57 0.00 0.00 179.45 180.62 2k0f h GLU 27 N 0.07 -0.12 -0.30 3.15 5.08 -1.76 0.25 114.58 120.96 2k0f h GLU 27 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 27 Cb 0.80 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 27 CO 0.05 0.26 0.10 1.25 -1.00 0.00 0.00 179.01 179.67 2k0f h LEU 28 N -0.52 0.38 0.10 1.33 5.85 -0.78 -2.29 115.31 119.39 2k0f h LEU 28 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k0f h LEU 28 Cb 0.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 28 CO 0.02 0.36 -0.05 1.23 -0.34 0.00 0.00 178.44 179.66 2k0f h GLY 29 N 0.59 -0.15 -0.12 3.75 0.00 -0.76 -0.94 103.07 105.44 2k0f h GLY 29 Ca 0.10 0.05 0.20 0.00 0.00 0.00 0.00 47.33 47.69 2k0f h GLY 29 CO -0.01 -0.05 0.38 -0.84 0.00 0.00 0.00 176.54 176.02 2k0f h THR 30 N -0.43 0.52 0.04 4.70 2.02 -0.60 0.12 112.91 119.28 2k0f h THR 30 Ca -0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2k0f h THR 30 Cb 0.35 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2k0f h THR 30 CO 0.02 0.08 -0.02 0.58 0.37 0.00 0.00 175.52 176.55 2k0f h VAL 31 N 0.43 0.00 -0.69 3.16 2.07 -1.40 -3.22 116.25 116.59 2k0f h VAL 31 Ca 0.53 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 68.04 2k0f h VAL 31 Cb 0.96 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 31 CO -0.50 0.00 -0.32 0.24 0.02 0.00 0.00 177.57 177.01 2k0f h MET 32 N -0.18 -0.10 -0.67 1.57 2.86 -0.68 0.16 114.93 117.89 2k0f h MET 32 Ca -0.01 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 0.04 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 32 CO 0.01 -0.07 0.26 -0.09 1.06 0.00 0.00 176.91 178.08 2k0f h ARG 33 N -0.11 0.98 0.13 1.72 2.43 -0.99 1.00 114.38 119.54 2k0f h ARG 33 Ca 0.28 -0.17 -0.28 0.00 -0.81 0.00 0.00 59.98 59.00 2k0f h ARG 33 Cb 0.56 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2k0f h ARG 33 CO -0.75 0.81 -1.25 0.77 -1.51 0.00 0.00 179.97 178.03 2k0f h SER 34 N 0.96 0.43 0.63 -3.80 0.02 -1.08 -3.12 113.55 107.59 2k0f h SER 34 Ca 0.22 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2k0f h SER 34 Cb 0.20 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2k0f h SER 34 CO -0.02 1.36 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.66 2k0f h LEU 35 N 0.07 -0.72 0.00 5.07 3.38 -0.76 -3.46 115.31 118.89 2k0f h LEU 35 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k0f h LEU 35 Cb 1.98 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.91 2k0f h LEU 35 CO 0.20 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.99 2k0f n GLY 36 N -0.61 0.99 0.00 0.83 0.00 0.34 -4.98 105.19 101.76 2k0f n GLY 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k0f n GLN 37 N 0.00 0.00 -3.33 1.61 7.27 -1.18 -4.92 117.38 116.83 2k0f n GLN 37 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 2k0f n GLN 37 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 2k0f n GLN 37 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2k0f n ASN 38 N 0.00 1.19 -4.77 1.69 4.13 -1.26 -4.58 115.26 111.66 2k0f n ASN 38 Ca 0.00 -2.87 -0.39 0.00 1.68 0.00 0.00 54.58 52.99 2k0f n ASN 38 Cb 0.00 -0.64 -0.00 0.00 -1.54 0.00 0.00 39.78 37.59 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2k0f s PRO 39 N -1.35 3.96 0.81 3.52 0.02 -1.26 -5.01 135.00 135.69 2k0f s PRO 39 Ca 0.35 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2k0f s PRO 39 Cb 0.13 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.99 2k0f s PRO 39 CO -0.10 -0.49 1.09 0.95 -0.33 0.00 0.00 177.00 178.12 2k0f s THR 40 N -1.27 3.12 -0.02 0.99 -4.23 -1.26 -4.90 115.64 108.08 2k0f s THR 40 Ca 0.57 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 61.23 2k0f s THR 40 Cb -0.38 -2.83 -0.22 0.00 1.34 0.00 0.00 72.50 70.41 2k0f s THR 40 CO 0.48 -0.48 1.10 -0.33 -0.54 0.00 0.00 174.62 174.85 2k0f h GLU 41 N -1.26 0.30 -0.86 3.99 5.08 -1.98 -1.08 114.58 118.77 2k0f h GLU 41 Ca -0.45 -0.29 0.15 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 41 Cb 1.24 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.42 2k0f h GLU 41 CO 0.52 0.97 -0.31 0.00 -1.00 0.00 0.00 179.01 179.19 2k0f h ALA 42 N 0.33 0.27 0.00 3.43 0.00 -1.98 0.27 119.26 121.58 2k0f h ALA 42 Ca -0.04 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 42 Cb 1.09 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2k0f h ALA 42 CO 0.08 -0.55 -0.40 1.49 0.00 0.00 0.00 179.25 179.87 2k0f h GLU 43 N -0.04 0.00 -0.52 0.00 4.81 -1.91 0.18 114.58 117.10 2k0f h GLU 43 Ca 0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2k0f h GLU 43 Cb 0.61 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 43 CO -0.89 0.40 0.18 -0.07 -0.73 0.00 0.00 179.01 177.89 2k0f h LEU 44 N 0.00 0.75 -0.32 1.64 3.38 -0.52 -2.28 115.31 117.96 2k0f h LEU 44 Ca -0.00 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2k0f h LEU 44 Cb 0.81 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2k0f h LEU 44 CO 0.05 0.74 -0.78 -0.61 0.09 0.00 0.00 178.44 177.93 2k0f h GLN 45 N 0.71 0.00 -0.11 1.13 5.75 0.44 -2.73 115.11 120.30 2k0f h GLN 45 Ca 0.17 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.52 2k0f h GLN 45 Cb 0.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2k0f h GLN 45 CO -0.01 0.78 -0.56 0.22 -2.65 0.00 0.00 178.83 176.62 2k0f h ASP 46 N 0.00 0.37 -0.49 -0.69 3.58 -0.76 -2.32 116.42 116.11 2k0f h ASP 46 Ca -0.01 -0.20 0.09 0.00 0.42 0.00 0.00 57.03 57.33 2k0f h ASP 46 Cb 1.45 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 42.32 2k0f h ASP 46 CO 0.10 0.86 0.06 -0.03 -2.88 0.00 0.00 179.24 177.34 2k0f h MET 47 N 0.26 0.18 0.49 0.28 4.05 -1.35 -0.88 114.93 117.96 2k0f h MET 47 Ca 0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2k0f h MET 47 Cb 1.06 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2k0f h MET 47 CO 0.09 0.12 -0.24 0.82 0.23 0.00 0.00 176.91 177.93 2k0f h ILE 48 N 0.18 0.49 -0.03 1.77 2.04 -1.42 -3.12 117.51 117.42 2k0f h ILE 48 Ca 0.25 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2k0f h ILE 48 Cb 0.35 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2k0f h ILE 48 CO -0.36 0.04 0.06 -1.13 0.00 0.00 0.00 178.15 176.76 2k0f h ASN 49 N -0.80 0.00 -0.40 1.72 -1.24 -1.01 -1.05 115.58 112.80 2k0f h ASN 49 Ca -0.07 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.88 2k0f h ASN 49 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 2k0f h ASN 49 CO 0.11 0.00 0.03 -0.08 -1.29 0.00 0.00 177.43 176.20 2k0f h GLU 50 N 0.00 0.69 0.00 6.67 4.81 -1.10 -3.13 114.58 122.52 2k0f h GLU 50 Ca 0.01 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 50 Cb 0.14 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 50 CO -0.00 0.76 -0.58 -0.39 -0.73 0.00 0.00 179.01 178.07 2k0f h VAL 51 N 0.52 0.43 -1.40 0.32 -1.51 -1.59 -3.47 116.25 109.55 2k0f h VAL 51 Ca 0.12 -1.66 -0.58 0.00 -1.23 0.00 0.00 66.70 63.34 2k0f h VAL 51 Cb 0.44 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 2k0f h VAL 51 CO 0.02 0.25 1.52 -0.67 -1.23 0.00 0.00 177.57 177.46 2k0f n ASP 52 N -3.05 2.38 -0.04 4.19 -0.08 -0.42 -4.83 116.55 114.70 2k0f n ASP 52 Ca 0.00 0.10 -0.14 0.00 -1.51 0.00 0.00 54.79 53.24 2k0f n ASP 52 Cb 0.67 -1.41 -0.09 0.00 2.34 0.00 0.00 41.12 42.63 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 14.99 0.13 -0.05 -1.67 0.00 -1.90 -3.15 119.26 127.61 2k0f h ALA 53 Ca -0.29 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 53 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 53 CO 1.06 0.11 -0.11 -0.44 0.00 0.00 0.00 179.25 179.87 2k0f h ASP 54 N -0.20 0.19 0.00 0.00 3.32 -1.96 -3.48 116.42 114.30 2k0f h ASP 54 Ca -0.01 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2k0f h ASP 54 Cb 0.85 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2k0f h ASP 54 CO 0.05 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 2k0f n GLY 55 N 0.46 0.90 0.08 2.75 0.00 -1.19 -5.04 105.19 103.15 2k0f n GLY 55 Ca -0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 0.13 0.00 1.61 -1.07 -1.93 -3.48 115.58 110.84 2k0f h ASN 56 Ca 0.00 -0.92 0.00 0.00 0.07 0.00 0.00 56.30 55.45 2k0f h ASN 56 Cb 0.05 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 2k0f h ASN 56 CO 0.00 1.03 0.00 0.61 0.07 0.00 0.00 177.43 179.14 2k0f n GLY 57 N 1.43 0.36 3.13 9.14 0.00 -1.26 -5.13 105.19 112.85 2k0f n GLY 57 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 1.14 -0.16 2.61 -4.23 -1.26 -4.73 115.64 109.00 2k0f s THR 58 Ca 0.00 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 59.43 2k0f s THR 58 Cb 0.00 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 2k0f s THR 58 CO 0.00 0.15 0.77 -0.51 -0.54 0.00 0.00 174.62 174.48 2k0f s ILE 59 N -0.62 4.93 0.69 2.99 2.07 -1.09 -4.89 121.20 125.29 2k0f s ILE 59 Ca 0.04 1.50 -0.08 0.00 -1.41 0.00 0.00 60.65 60.69 2k0f s ILE 59 Cb -0.07 -4.08 0.04 0.00 0.13 0.00 0.00 42.46 38.49 2k0f s ILE 59 CO 0.01 0.07 1.02 -1.81 -1.91 0.00 0.00 174.94 172.32 2k0f s ASP 60 N 1.13 5.07 0.02 4.50 1.01 -1.26 -0.96 116.67 126.19 2k0f s ASP 60 Ca 0.36 0.68 -0.26 0.00 0.71 0.00 0.00 52.55 54.03 2k0f s ASP 60 Cb -0.16 -1.42 -0.17 0.00 1.01 0.00 0.00 42.92 42.18 2k0f s ASP 60 CO 0.13 -1.46 1.34 0.15 0.21 0.00 0.00 175.17 175.53 2k0f h PHE 61 N -0.56 -0.44 0.00 4.23 3.57 -1.96 -0.42 116.94 121.36 2k0f h PHE 61 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 61 Cb 1.29 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2k0f h PHE 61 CO 0.39 -0.13 0.00 -0.35 -2.23 0.00 0.00 178.31 175.99 2k0f n PRO 62 N -5.19 0.15 -0.02 6.41 -0.04 -1.26 0.05 135.00 135.10 2k0f n PRO 62 Ca -0.10 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2k0f n PRO 62 Cb 0.26 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.23 0.23 0.54 5.08 -1.89 -2.44 114.58 116.33 2k0f h GLU 63 Ca 0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 63 Cb 0.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 63 CO 0.00 0.94 -0.11 0.35 -1.00 0.00 0.00 179.01 179.19 2k0f h PHE 64 N -0.40 -0.28 -0.98 4.33 3.57 -0.85 -2.96 116.94 119.37 2k0f h PHE 64 Ca -0.04 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 64 Cb 1.04 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 2k0f h PHE 64 CO 0.17 -0.10 0.60 1.25 -2.23 0.00 0.00 178.31 177.99 2k0f h LEU 65 N -0.40 0.85 -0.43 0.59 5.85 -0.49 -2.80 115.31 118.47 2k0f h LEU 65 Ca -0.03 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 65 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k0f h LEU 65 CO 0.05 0.41 -0.09 0.74 -0.34 0.00 0.00 178.44 179.21 2k0f h THR 66 N 0.90 1.27 -0.40 1.05 2.02 -1.26 -2.59 112.91 113.90 2k0f h THR 66 Ca 0.51 -1.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 2k0f h THR 66 Cb 0.58 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2k0f h THR 66 CO -0.30 0.41 -0.26 -0.03 0.37 0.00 0.00 175.52 175.71 2k0f h MET 67 N 0.66 0.84 0.00 6.66 1.85 -1.49 -3.03 114.93 120.41 2k0f h MET 67 Ca 0.11 -0.37 -0.21 0.00 -0.61 0.00 0.00 59.70 58.62 2k0f h MET 67 Cb 0.63 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.60 2k0f h MET 67 CO 0.04 1.00 -1.11 0.52 -0.40 0.00 0.00 176.91 176.96 2k0f h MET 68 N 0.72 0.00 0.00 0.39 2.07 -1.39 -3.25 114.93 113.46 2k0f h MET 68 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 2k0f h MET 68 Cb 0.80 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 2k0f h MET 68 CO 0.07 0.81 -0.41 0.00 1.07 0.00 0.00 176.91 178.45 2k0f h ALA 69 N 1.07 0.78 -2.34 6.32 0.00 -1.51 -3.45 119.26 120.13 2k0f h ALA 69 Ca -0.07 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 69 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k0f h ALA 69 CO 0.11 0.00 0.07 0.50 0.00 0.00 0.00 179.25 179.92 2k0f s ARG 70 N -3.24 3.76 0.12 0.00 3.52 -1.15 -5.10 118.95 116.87 2k0f s ARG 70 Ca 0.05 0.38 0.08 0.00 -0.13 0.00 0.00 55.73 56.11 2k0f s ARG 70 Cb 0.08 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 2k0f s ARG 70 CO 0.71 0.02 -0.11 0.15 -0.81 0.00 0.00 175.30 175.25 2k0f s LYS 71 N -3.76 2.05 0.52 5.12 1.02 -1.26 -4.97 119.74 118.46 2k0f s LYS 71 Ca 0.50 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 55.43 2k0f s LYS 71 Cb -0.10 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2k0f s LYS 71 CO 0.31 0.49 0.24 -1.64 -0.92 0.00 0.00 175.35 173.83 2k0f s MET 72 N -2.32 2.23 -0.03 1.68 -1.94 -1.26 -5.12 119.30 112.55 2k0f s MET 72 Ca 0.21 -2.13 -0.06 0.00 -1.71 0.00 0.00 55.69 52.01 2k0f s MET 72 Cb -0.11 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 2k0f s MET 72 CO 0.13 -0.47 0.36 -0.22 -0.01 0.00 0.00 175.02 174.82 2k0f h LYS 73 N 1.04 -0.21 0.00 2.03 3.64 -2.03 -3.49 116.57 117.54 2k0f h LYS 73 Ca -0.40 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.84 2k0f h LYS 73 Cb 1.30 0.05 0.06 0.00 -0.41 0.00 0.00 32.23 33.23 2k0f h LYS 73 CO 0.64 -0.14 0.13 -0.25 -2.27 0.00 0.00 179.45 177.56 2k0f n ASP 74 N -3.80 0.13 -4.57 4.20 8.00 -1.26 -4.91 116.55 114.35 2k0f n ASP 74 Ca -0.03 -1.22 -0.40 0.00 0.71 0.00 0.00 54.79 53.85 2k0f n ASP 74 Cb 0.09 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2k0f n ASP 74 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k0f s THR 75 N -1.84 3.33 -0.17 -3.53 -4.23 -1.26 -4.81 115.64 103.14 2k0f s THR 75 Ca 0.27 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.09 2k0f s THR 75 Cb -0.01 -3.69 -0.14 0.00 1.34 0.00 0.00 72.50 70.00 2k0f s THR 75 CO 0.19 -0.59 -0.08 -0.67 -0.54 0.00 0.00 174.62 172.92 2k0f n ASP 76 N 12.42 2.15 -0.04 3.99 2.03 -1.26 -4.42 116.55 131.42 2k0f n ASP 76 Ca 0.24 -0.06 -0.15 0.00 0.52 0.00 0.00 54.79 55.34 2k0f n ASP 76 Cb 0.51 0.16 -0.08 0.00 -0.72 0.00 0.00 41.12 40.99 2k0f n ASP 76 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2k0f h SER 77 N 0.00 0.53 -0.92 1.67 4.64 -1.99 -2.95 113.55 114.54 2k0f h SER 77 Ca -0.40 -0.59 0.11 0.00 -0.47 0.00 0.00 61.79 60.44 2k0f h SER 77 Cb 1.73 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 63.58 2k0f h SER 77 CO -0.03 1.02 0.55 -0.08 -0.87 0.00 0.00 176.83 177.43 2k0f h GLU 78 N 0.06 0.87 0.32 4.77 4.81 -1.99 -0.83 114.58 122.60 2k0f h GLU 78 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 78 Cb 0.96 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k0f h GLU 78 CO 0.08 0.58 -0.15 0.93 -0.73 0.00 0.00 179.01 179.71 2k0f h GLU 79 N 0.90 -0.41 -0.39 1.92 4.39 -1.77 -3.35 114.58 115.86 2k0f h GLU 79 Ca 0.45 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.25 2k0f h GLU 79 Cb 0.42 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 2k0f h GLU 79 CO -0.26 -0.27 -0.33 1.49 -1.16 0.00 0.00 179.01 178.48 2k0f h GLU 80 N -0.44 -0.25 -0.23 2.33 4.81 -1.15 -2.08 114.58 117.57 2k0f h GLU 80 Ca -0.04 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 80 Cb 0.33 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 80 CO 0.07 -0.17 -0.03 0.82 -0.73 0.00 0.00 179.01 178.98 2k0f h ILE 81 N -0.26 1.27 -0.05 2.32 1.08 -1.40 -0.67 117.51 119.80 2k0f h ILE 81 Ca 0.17 -0.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2k0f h ILE 81 Cb 0.54 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2k0f h ILE 81 CO -0.53 0.30 0.02 -0.09 -0.69 0.00 0.00 178.15 177.15 2k0f h ARG 82 N 0.17 0.07 -0.12 2.37 2.43 -1.68 0.78 114.38 118.41 2k0f h ARG 82 Ca 0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 2k0f h ARG 82 Cb 0.46 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2k0f h ARG 82 CO 0.02 0.23 -0.53 0.93 -1.51 0.00 0.00 179.97 179.11 2k0f h GLU 83 N -0.11 0.34 -0.16 0.20 4.39 -1.28 -2.40 114.58 115.55 2k0f h GLU 83 Ca 0.01 -0.21 -0.16 0.00 0.34 0.00 0.00 59.36 59.35 2k0f h GLU 83 Cb 0.19 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k0f h GLU 83 CO -0.00 0.79 -0.56 0.00 -1.16 0.00 0.00 179.01 178.07 2k0f h ALA 84 N 1.17 0.71 -0.37 3.43 0.00 -0.84 -2.87 119.26 120.49 2k0f h ALA 84 Ca 0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 84 Cb 1.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 84 CO 0.09 0.69 -0.19 0.35 0.00 0.00 0.00 179.25 180.20 2k0f h PHE 85 N 0.39 0.78 -1.00 0.00 3.04 -0.79 -2.99 116.94 116.38 2k0f h PHE 85 Ca 0.00 -0.16 0.23 0.00 3.98 0.00 0.00 57.97 62.02 2k0f h PHE 85 Cb 1.10 -0.19 -0.10 0.00 2.56 0.00 0.00 35.95 39.32 2k0f h PHE 85 CO 0.04 0.83 0.63 -0.09 -2.02 0.00 0.00 178.31 177.70 2k0f h ARG 86 N 0.62 0.53 -0.56 1.11 2.43 -1.21 0.56 114.38 117.87 2k0f h ARG 86 Ca 0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 86 Cb 0.66 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 86 CO 0.05 0.35 0.01 0.28 -1.51 0.00 0.00 179.97 179.15 2k0f h VAL 87 N 0.55 1.26 0.39 0.20 2.07 -1.39 -2.81 116.25 116.52 2k0f h VAL 87 Ca 0.57 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2k0f h VAL 87 Cb 1.20 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 87 CO -0.33 0.39 -0.19 -0.26 0.02 0.00 0.00 177.57 177.20 2k0f h PHE 88 N 0.88 -0.49 -1.74 1.57 0.04 -1.56 -3.44 116.94 112.20 2k0f h PHE 88 Ca 0.16 -0.01 -0.46 0.00 2.80 0.00 0.00 57.97 60.46 2k0f h PHE 88 Cb 0.51 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.78 2k0f h PHE 88 CO 0.03 -0.18 1.24 0.34 -0.60 0.00 0.00 178.31 179.14 2k0f s ASP 89 N -4.90 5.25 -0.05 2.17 2.15 0.14 -4.76 116.67 116.67 2k0f s ASP 89 Ca -0.15 0.14 -0.23 0.00 0.43 0.00 0.00 52.55 52.74 2k0f s ASP 89 Cb 0.03 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.56 -2.44 0.99 0.50 -0.17 0.00 0.00 175.17 174.60 2k0f h LYS 90 N 14.24 -0.14 0.20 4.34 3.64 -1.86 -3.38 116.57 133.61 2k0f h LYS 90 Ca -0.19 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2k0f h LYS 90 Cb 1.13 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2k0f h LYS 90 CO 1.22 0.36 -0.10 0.38 -2.27 0.00 0.00 179.45 179.05 2k0f h ASP 91 N -0.76 -0.23 0.00 4.20 3.04 -1.96 -3.49 116.42 117.22 2k0f h ASP 91 Ca -0.01 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 91 Cb 0.56 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 2k0f h ASP 91 CO 0.02 -0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 92 N 0.55 0.75 0.14 7.15 0.00 -1.26 -5.06 105.19 107.45 2k0f n GLY 92 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.54 0.00 0.61 0.07 0.00 0.00 177.43 178.65 2k0f n GLY 94 N 1.16 1.48 2.87 9.14 0.00 -1.26 -5.09 105.19 113.49 2k0f n GLY 94 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 1.25 -0.18 1.61 1.51 -1.26 -3.88 117.35 114.40 2k0f s TYR 95 Ca 0.00 -0.58 -0.26 0.00 -1.01 0.00 0.00 57.07 55.23 2k0f s TYR 95 Cb 0.00 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2k0f s TYR 95 CO 0.00 -0.46 0.86 0.42 -1.11 0.00 0.00 175.55 175.26 2k0f s ILE 96 N 1.76 4.85 0.58 2.71 1.01 0.29 -4.89 121.20 127.51 2k0f s ILE 96 Ca 0.05 1.68 0.08 0.00 0.00 0.00 0.00 60.65 62.46 2k0f s ILE 96 Cb -0.13 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 96 CO -0.07 -0.01 0.68 -0.94 0.00 0.00 0.00 174.94 174.59 2k0f s SER 97 N 1.19 4.90 0.19 3.58 1.04 -1.26 -1.34 113.70 122.01 2k0f s SER 97 Ca 0.39 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 2k0f s SER 97 Cb -0.16 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.51 2k0f s SER 97 CO 0.11 -1.31 1.57 0.00 0.98 0.00 0.00 173.24 174.59 2k0f h ALA 98 N 0.33 0.77 -0.47 5.32 0.00 -1.95 -3.12 119.26 120.15 2k0f h ALA 98 Ca -0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2k0f h ALA 98 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 98 CO 0.46 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.48 2k0f h ALA 99 N 0.99 0.62 0.12 0.00 0.00 -1.98 -0.67 119.26 118.33 2k0f h ALA 99 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 99 Cb 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 99 CO 0.08 0.31 -0.06 0.93 0.00 0.00 0.00 179.25 180.51 2k0f h GLU 100 N 0.64 -0.15 -0.87 0.00 5.08 -1.91 -1.69 114.58 115.68 2k0f h GLU 100 Ca 0.15 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 100 Cb 0.32 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 100 CO 0.00 0.33 0.54 1.25 -1.00 0.00 0.00 179.01 180.13 2k0f h LEU 101 N -0.85 0.85 -0.69 1.33 5.85 -1.48 -0.96 115.31 119.36 2k0f h LEU 101 Ca -0.02 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2k0f h LEU 101 Cb 0.55 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2k0f h LEU 101 CO 0.03 0.55 0.28 -0.09 -0.34 0.00 0.00 178.44 178.86 2k0f h ARG 102 N 0.99 0.45 -0.36 1.25 2.43 -1.08 -1.68 114.38 116.37 2k0f h ARG 102 Ca 0.38 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2k0f h ARG 102 Cb 0.16 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2k0f h ARG 102 CO -0.17 0.30 -0.15 1.25 -1.51 0.00 0.00 179.97 179.68 2k0f h HIS 103 N 0.46 0.71 0.85 2.20 2.76 -0.22 0.76 115.15 122.68 2k0f h HIS 103 Ca 0.36 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2k0f h HIS 103 Cb 0.47 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.25 2k0f h HIS 103 CO -0.16 0.77 -0.44 0.28 -1.30 0.00 0.00 177.93 177.08 2k0f h VAL 104 N 0.59 0.00 -0.72 5.26 2.07 -1.25 -2.46 116.25 119.73 2k0f h VAL 104 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 2k0f h VAL 104 Cb 0.60 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2k0f h VAL 104 CO 0.04 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.26 2k0f h MET 105 N -1.18 0.67 -0.43 1.57 2.07 -1.08 0.29 114.93 116.83 2k0f h MET 105 Ca -0.12 -0.04 -0.08 0.00 -2.07 0.00 0.00 59.70 57.39 2k0f h MET 105 Cb 0.92 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.48 2k0f h MET 105 CO 0.17 0.44 -0.08 1.15 1.07 0.00 0.00 176.91 179.67 2k0f h THR 106 N 0.69 1.25 0.00 2.22 2.02 -0.86 0.31 112.91 118.54 2k0f h THR 106 Ca 0.34 -1.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 2k0f h THR 106 Cb 0.28 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2k0f h THR 106 CO -0.22 0.38 -0.53 0.78 0.37 0.00 0.00 175.52 176.30 2k0f h ASN 107 N 0.69 0.00 0.32 4.18 2.35 -0.93 -3.32 115.58 118.88 2k0f h ASN 107 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2k0f h ASN 107 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2k0f h ASN 107 CO 0.03 0.53 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.87 2k0f h LEU 108 N 0.00 -1.11 0.00 1.61 3.38 -0.07 -3.45 115.31 115.67 2k0f h LEU 108 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k0f h LEU 108 Cb 1.39 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2k0f h LEU 108 CO 0.07 -0.50 0.00 0.61 0.09 0.00 0.00 178.44 178.71 2k0f n GLY 109 N -1.42 0.00 3.05 0.83 0.00 0.01 -4.56 105.19 103.09 2k0f n GLY 109 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 1.89 -0.19 1.61 2.56 -0.65 -4.78 118.70 119.15 2k0f s GLU 110 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 54.97 54.33 2k0f s GLU 110 Cb 0.00 -1.54 -0.04 0.00 2.00 0.00 0.00 34.13 34.55 2k0f s GLU 110 CO 0.00 0.04 0.42 0.21 -0.56 0.00 0.00 175.26 175.37 2k0f s LYS 111 N 0.65 4.20 -0.06 4.30 2.20 -1.26 -3.97 119.74 125.80 2k0f s LYS 111 Ca -0.15 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 2k0f s LYS 111 Cb -0.16 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2k0f s LYS 111 CO 0.04 -0.01 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.37 2k0f s LEU 112 N 1.22 1.77 0.83 5.43 1.43 -1.26 -5.14 118.68 122.95 2k0f s LEU 112 Ca 0.21 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2k0f s LEU 112 Cb -0.15 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.28 2k0f s LEU 112 CO 0.08 0.08 1.10 0.42 0.23 0.00 0.00 176.35 178.26 2k0f s THR 113 N 0.42 3.00 0.16 5.49 -4.23 -1.26 -4.93 115.64 114.29 2k0f s THR 113 Ca -0.11 0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 113 Cb -0.14 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 113 CO 0.03 -0.42 1.70 0.44 -0.54 0.00 0.00 174.62 175.83 2k0f h ASP 114 N -1.34 0.79 0.35 3.99 5.19 -2.00 -2.02 116.42 121.37 2k0f h ASP 114 Ca -0.45 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 55.75 2k0f h ASP 114 Cb 1.25 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 2k0f h ASP 114 CO 0.51 0.77 -0.07 -0.33 -3.12 0.00 0.00 179.24 177.00 2k0f h GLU 115 N 0.76 0.00 -0.27 3.56 3.07 -1.99 -0.72 114.58 119.00 2k0f h GLU 115 Ca 0.18 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2k0f h GLU 115 Cb 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2k0f h GLU 115 CO -0.01 0.07 -0.29 0.93 -1.40 0.00 0.00 179.01 178.31 2k0f h GLU 116 N 0.00 0.67 -0.62 2.33 5.08 -1.75 -1.06 114.58 119.23 2k0f h GLU 116 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2k0f h GLU 116 Cb 0.26 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 116 CO 0.01 0.97 0.35 0.28 -1.00 0.00 0.00 179.01 179.62 2k0f h VAL 117 N 0.40 1.19 0.05 3.13 2.07 -1.13 0.25 116.25 122.21 2k0f h VAL 117 Ca 0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2k0f h VAL 117 Cb 0.86 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2k0f h VAL 117 CO 0.07 0.21 -0.06 -0.78 0.02 0.00 0.00 177.57 177.03 2k0f h ASP 118 N 0.84 -0.16 -0.43 0.57 3.58 -1.09 -1.25 116.42 118.49 2k0f h ASP 118 Ca 0.22 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 118 Cb 0.03 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2k0f h ASP 118 CO -0.04 -0.09 0.18 -0.08 -2.88 0.00 0.00 179.24 176.33 2k0f h GLU 119 N -0.13 0.69 0.38 0.28 4.81 -0.78 -1.46 114.58 118.38 2k0f h GLU 119 Ca 0.01 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 119 Cb 0.13 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 119 CO -0.02 0.58 -0.18 1.98 -0.73 0.00 0.00 179.01 180.63 2k0f h MET 120 N 0.69 -0.49 -0.81 1.92 4.05 -0.23 -1.54 114.93 118.50 2k0f h MET 120 Ca 0.17 0.03 0.20 0.00 -0.28 0.00 0.00 59.70 59.82 2k0f h MET 120 Cb 0.15 0.11 -0.13 0.00 -0.80 0.00 0.00 31.60 30.93 2k0f h MET 120 CO -0.01 -0.20 0.17 0.82 0.23 0.00 0.00 176.91 177.91 2k0f h ILE 121 N -0.78 0.37 0.00 1.77 1.08 -1.18 -1.93 117.51 116.84 2k0f h ILE 121 Ca -0.05 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 2k0f h ILE 121 Cb 0.52 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2k0f h ILE 121 CO 0.09 0.04 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.20 2k0f h ARG 122 N 0.20 0.00 -0.17 2.37 2.43 -1.17 -1.26 114.38 116.79 2k0f h ARG 122 Ca 0.48 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2k0f h ARG 122 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2k0f h ARG 122 CO -0.62 0.30 -0.31 1.49 -1.51 0.00 0.00 179.97 179.32 2k0f h GLU 123 N 0.00 0.50 0.04 0.20 4.81 -0.52 -3.35 114.58 116.27 2k0f h GLU 123 Ca -0.00 -0.32 -0.22 0.00 -0.13 0.00 0.00 59.36 58.69 2k0f h GLU 123 Cb 0.54 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2k0f h GLU 123 CO 0.04 0.92 -1.02 0.00 -0.73 0.00 0.00 179.01 178.22 2k0f h ALA 124 N 0.58 0.35 -2.90 2.92 0.00 -1.24 -3.46 119.26 115.50 2k0f h ALA 124 Ca 0.01 -0.84 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 2k0f h ALA 124 Cb 0.90 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 124 CO 0.07 1.06 0.65 0.34 0.00 0.00 0.00 179.25 181.37 2k0f s ASP 125 N -6.91 6.29 0.02 0.00 2.15 -0.49 -4.85 116.67 112.88 2k0f s ASP 125 Ca -0.02 2.76 -0.05 0.00 0.43 0.00 0.00 52.55 55.67 2k0f s ASP 125 Cb 0.09 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 125 CO 0.84 -0.87 -0.09 -0.38 -0.17 0.00 0.00 175.17 174.49 2k0f n ILE 126 N 0.20 1.29 0.34 4.11 5.41 -1.26 -4.89 119.36 124.55 2k0f n ILE 126 Ca 0.03 0.33 -0.18 0.00 1.00 0.00 0.00 62.75 63.93 2k0f n ILE 126 Cb 0.42 -1.79 -0.09 0.00 -0.71 0.00 0.00 39.64 37.47 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 -0.27 -1.20 0.00 4.38 3.04 -1.94 -3.48 116.42 116.94 2k0f h ASP 127 Ca 0.00 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 2k0f h ASP 127 Cb 0.27 0.38 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2k0f h ASP 127 CO 0.00 -0.66 0.00 0.61 -2.04 0.00 0.00 179.24 177.15 2k0f n GLY 128 N -1.57 0.05 0.09 7.15 0.00 -1.26 -5.04 105.19 104.62 2k0f n GLY 128 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 1.61 3.04 -1.99 -3.47 116.42 115.61 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.83 0.00 0.61 -2.04 0.00 0.00 179.24 178.64 2k0f n GLY 130 N 1.10 0.64 3.38 7.15 0.00 -1.26 -5.06 105.19 111.15 2k0f n GLY 130 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.98 1.94 -0.33 1.61 -0.21 -1.26 -4.80 119.66 115.63 2k0f s GLN 131 Ca 0.00 -1.04 -0.23 0.00 0.02 0.00 0.00 55.36 54.11 2k0f s GLN 131 Cb 0.00 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.95 2k0f s GLN 131 CO 0.00 0.53 0.79 0.08 -2.12 0.00 0.00 175.29 174.57 2k0f s VAL 132 N -0.82 4.76 0.49 1.09 1.01 -0.45 -4.81 120.40 121.68 2k0f s VAL 132 Ca 0.12 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 2k0f s VAL 132 Cb -0.10 -4.18 0.10 0.00 0.00 0.00 0.00 36.38 32.20 2k0f s VAL 132 CO 0.03 -0.34 0.68 -0.46 0.00 0.00 0.00 175.10 175.00 2k0f n ASN 133 N 6.32 0.69 -0.17 3.32 0.23 -1.26 -0.54 115.26 123.85 2k0f n ASN 133 Ca 0.03 -1.64 -0.04 0.00 -0.53 0.00 0.00 54.58 52.41 2k0f n ASN 133 Cb 0.48 -0.46 0.06 0.00 -2.08 0.00 0.00 39.78 37.78 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -0.72 0.44 0.09 -2.53 0.05 -1.98 -0.95 116.97 111.36 2k0f h TYR 134 Ca -0.22 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.60 2k0f h TYR 134 Cb 0.77 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 2k0f h TYR 134 CO 0.00 0.20 -0.50 1.49 -1.05 0.00 0.00 178.16 178.30 2k0f h GLU 135 N 0.47 -0.69 -0.75 4.88 4.81 -1.94 0.35 114.58 121.71 2k0f h GLU 135 Ca 0.23 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 135 Cb 0.17 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2k0f h GLU 135 CO -0.18 -0.46 0.49 0.93 -0.73 0.00 0.00 179.01 179.07 2k0f h GLU 136 N -0.71 0.92 0.11 1.92 5.08 -1.85 -1.26 114.58 118.78 2k0f h GLU 136 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 136 Cb 0.74 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 136 CO -0.30 0.61 -0.05 0.35 -1.00 0.00 0.00 179.01 178.62 2k0f h PHE 137 N 0.94 -0.13 0.00 4.33 3.04 -0.88 -3.06 116.94 121.19 2k0f h PHE 137 Ca 0.29 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.22 2k0f h PHE 137 Cb 0.00 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 2k0f h PHE 137 CO -0.00 0.33 -0.09 -0.24 -2.02 0.00 0.00 178.31 176.29 2k0f h VAL 138 N -0.67 0.21 -0.75 1.41 3.04 -0.53 -1.86 116.25 117.09 2k0f h VAL 138 Ca -0.01 -0.86 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2k0f h VAL 138 Cb 0.52 1.72 -0.04 0.00 -2.01 0.00 0.00 31.29 31.48 2k0f h VAL 138 CO 0.02 0.09 0.41 -0.61 -1.01 0.00 0.00 177.57 176.47 2k0f h GLN 139 N 0.00 1.04 -0.07 4.17 5.75 -1.32 -3.08 115.11 121.60 2k0f h GLN 139 Ca -0.00 -0.12 -0.23 0.00 -0.15 0.00 0.00 58.65 58.15 2k0f h GLN 139 Cb 0.71 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 29.07 2k0f h GLN 139 CO 0.01 0.77 -0.88 1.98 -2.65 0.00 0.00 178.83 178.07 2k0f h MET 140 N 1.03 0.66 0.00 1.69 4.05 -1.23 -3.31 114.93 117.82 2k0f h MET 140 Ca 0.26 -0.61 -0.11 0.00 -0.28 0.00 0.00 59.70 58.96 2k0f h MET 140 Cb 0.03 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2k0f h MET 140 CO -0.04 1.22 -1.37 -1.33 0.23 0.00 0.00 176.91 175.62 2k0f n MET 141 N -3.87 0.62 0.00 0.39 2.81 -1.05 -5.12 117.12 110.90 2k0f n MET 141 Ca -0.08 0.15 0.09 0.00 -1.81 0.00 0.00 57.70 56.05 2k0f n MET 141 Cb 0.80 -1.78 0.54 0.00 -0.71 0.00 0.00 33.22 32.07 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73