#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 0.71 -1.01 -0.78 4.39 -2.05 -2.58 114.58 113.27 2k0f h GLU 2 Ca 0.00 -0.05 0.24 0.00 0.34 0.00 0.00 59.36 59.89 2k0f h GLU 2 Cb 0.00 -0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 28.37 2k0f h GLU 2 CO 0.00 0.49 0.60 1.49 -1.16 0.00 0.00 179.01 180.43 2k0f h GLU 3 N 0.72 0.57 0.37 2.33 4.81 -2.06 0.46 114.58 121.78 2k0f h GLU 3 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 3 Cb -0.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.21 2k0f h GLU 3 CO -0.04 0.38 -0.18 1.96 -0.73 0.00 0.00 179.01 180.40 2k0f h GLN 4 N 0.59 -0.48 -0.72 1.92 7.50 -1.93 -3.16 115.11 118.83 2k0f h GLN 4 Ca 0.64 0.03 0.16 0.00 0.50 0.00 0.00 58.65 59.98 2k0f h GLN 4 Cb 1.22 0.11 -0.13 0.00 0.05 0.00 0.00 27.48 28.73 2k0f h GLN 4 CO -0.47 -0.17 -0.01 0.82 -1.50 0.00 0.00 178.83 177.50 2k0f h ILE 5 N -0.97 0.37 -0.92 2.54 1.08 -1.08 -0.46 117.51 118.07 2k0f h ILE 5 Ca -0.05 -0.03 0.16 0.00 -0.39 0.00 0.00 64.86 64.54 2k0f h ILE 5 Cb 0.53 0.26 -0.08 0.00 -3.07 0.00 0.00 36.82 34.46 2k0f h ILE 5 CO 0.08 0.02 0.59 0.00 -0.69 0.00 0.00 178.15 178.15 2k0f h ALA 6 N 1.68 1.83 -0.01 1.87 0.00 -1.02 0.16 119.26 123.77 2k0f h ALA 6 Ca 0.39 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.07 2k0f h ALA 6 Cb 0.66 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k0f h ALA 6 CO -0.64 -0.10 -1.00 1.49 0.00 0.00 0.00 179.25 179.00 2k0f h GLU 7 N 0.70 0.64 -0.15 0.00 4.57 -1.06 0.50 114.58 119.77 2k0f h GLU 7 Ca 0.48 -0.68 -0.22 0.00 -1.18 0.00 0.00 59.36 57.76 2k0f h GLU 7 Cb 0.79 0.19 0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2k0f h GLU 7 CO -0.23 1.27 -0.76 0.74 -1.18 0.00 0.00 179.01 178.85 2k0f h PHE 8 N 0.37 1.06 -0.30 0.92 0.04 -0.85 -2.89 116.94 115.28 2k0f h PHE 8 Ca -0.11 -0.47 -0.04 0.00 2.80 0.00 0.00 57.97 60.15 2k0f h PHE 8 Cb 1.65 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.62 2k0f h PHE 8 CO 0.09 1.30 0.00 -0.22 -0.60 0.00 0.00 178.31 178.88 2k0f h LYS 9 N 0.52 0.46 -0.02 1.51 3.64 -0.99 -1.49 116.57 120.21 2k0f h LYS 9 Ca -0.05 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2k0f h LYS 9 Cb 1.39 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 2k0f h LYS 9 CO 0.16 0.49 -0.32 1.49 -2.27 0.00 0.00 179.45 179.00 2k0f h GLU 10 N 0.45 -0.44 0.00 1.90 4.57 -0.72 0.11 114.58 120.45 2k0f h GLU 10 Ca 0.10 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2k0f h GLU 10 Cb 0.29 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k0f h GLU 10 CO 0.01 -0.29 -0.39 0.00 -1.18 0.00 0.00 179.01 177.15 2k0f h ALA 11 N 0.28 1.00 -0.03 2.92 0.00 -1.28 0.30 119.26 122.45 2k0f h ALA 11 Ca 0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 11 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 11 CO -0.27 0.49 -0.12 0.35 0.00 0.00 0.00 179.25 179.69 2k0f h PHE 12 N 0.00 0.19 -0.03 0.00 3.57 -1.10 -1.30 116.94 118.27 2k0f h PHE 12 Ca -0.00 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 12 Cb 0.91 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 12 CO 0.00 0.76 -0.54 0.66 -2.23 0.00 0.00 178.31 176.96 2k0f h SER 13 N -0.44 0.08 -0.09 0.41 4.64 -0.58 -2.75 113.55 114.83 2k0f h SER 13 Ca -0.01 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2k0f h SER 13 Cb 0.77 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2k0f h SER 13 CO 0.03 0.61 0.04 0.25 -0.87 0.00 0.00 176.83 176.88 2k0f h LEU 14 N 0.06 0.13 -0.46 5.97 5.85 -0.31 -3.27 115.31 123.28 2k0f h LEU 14 Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 14 Cb 0.98 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 14 CO 0.08 0.26 0.00 -0.26 -0.34 0.00 0.00 178.44 178.18 2k0f h PHE 15 N -0.01 0.00 -3.63 1.25 0.04 -1.28 -3.42 116.94 109.89 2k0f h PHE 15 Ca 0.03 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 15 Cb 0.18 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.17 2k0f h PHE 15 CO -0.01 0.00 -0.12 0.34 -0.60 0.00 0.00 178.31 177.91 2k0f s ASP 16 N -5.40 6.29 0.00 2.17 2.15 -1.04 -4.36 116.67 116.48 2k0f s ASP 16 Ca 0.06 0.03 0.19 0.00 0.43 0.00 0.00 52.55 53.25 2k0f s ASP 16 Cb 0.08 -2.25 -0.11 0.00 -0.30 0.00 0.00 42.92 40.35 2k0f s ASP 16 CO 0.58 -0.39 0.87 0.29 -0.17 0.00 0.00 175.17 176.35 2k0f n LYS 17 N 5.59 1.18 -0.08 4.34 4.76 -1.26 -4.46 118.16 128.22 2k0f n LYS 17 Ca -0.06 -0.43 -0.14 0.00 -2.87 0.00 0.00 58.31 54.81 2k0f n LYS 17 Cb 0.49 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k0f n ASP 18 N -0.79 1.71 0.00 4.39 5.68 -1.26 -5.06 116.55 121.21 2k0f n ASP 18 Ca 0.06 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 2k0f n ASP 18 Cb 0.34 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 1.75 0.39 0.08 6.12 0.00 -1.26 -5.04 105.19 107.22 2k0f n GLY 19 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.06 0.00 1.61 3.04 -1.97 -3.48 116.42 115.67 2k0f h ASP 20 Ca 0.00 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 2k0f h ASP 20 Cb 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 20 CO 0.00 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.89 2k0f n GLY 21 N 1.53 0.91 2.95 7.15 0.00 -1.26 -5.05 105.19 111.43 2k0f n GLY 21 Ca -0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 1.41 -0.19 2.61 -4.23 -1.26 -4.46 115.64 107.52 2k0f s THR 22 Ca 0.00 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 2k0f s THR 22 Cb 0.00 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2k0f s THR 22 CO 0.00 0.15 0.39 -0.63 -0.54 0.00 0.00 174.62 173.99 2k0f s ILE 23 N 1.50 5.21 0.46 2.99 1.01 -0.90 -4.93 121.20 126.53 2k0f s ILE 23 Ca -0.00 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.42 2k0f s ILE 23 Cb -0.16 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 2k0f s ILE 23 CO -0.08 0.27 0.40 0.42 0.00 0.00 0.00 174.94 175.95 2k0f s THR 24 N 1.18 2.36 0.12 2.92 -4.23 -1.26 -2.40 115.64 114.34 2k0f s THR 24 Ca 0.19 -1.38 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 2k0f s THR 24 Cb -0.15 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 2k0f s THR 24 CO 0.08 0.00 1.37 0.35 -0.54 0.00 0.00 174.62 175.88 2k0f n THR 25 N -1.62 -0.51 0.21 3.99 -2.24 -1.26 -2.94 114.28 109.90 2k0f n THR 25 Ca 0.03 2.14 0.12 0.00 -2.27 0.00 0.00 64.05 64.06 2k0f n THR 25 Cb 0.63 -2.67 0.69 0.00 -2.10 0.00 0.00 70.33 66.88 2k0f n THR 25 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2k0f h LYS 26 N 0.00 0.00 -0.06 -0.78 2.10 -1.96 -0.99 116.57 114.88 2k0f h LYS 26 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2k0f h LYS 26 Cb 0.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2k0f h LYS 26 CO -0.71 0.00 0.02 0.93 -2.00 0.00 0.00 179.45 177.69 2k0f h GLU 27 N 0.00 0.09 0.00 0.07 5.08 -1.83 -2.31 114.58 115.68 2k0f h GLU 27 Ca 0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 27 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 27 CO -0.00 0.27 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.84 2k0f h LEU 28 N -0.10 0.00 -0.84 1.33 3.38 -1.23 -3.04 115.31 114.81 2k0f h LEU 28 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 28 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2k0f h LEU 28 CO -0.00 0.37 -0.22 1.23 0.09 0.00 0.00 178.44 179.92 2k0f h GLY 29 N 1.50 0.68 0.91 0.83 0.00 -0.89 0.03 103.07 106.12 2k0f h GLY 29 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.78 2k0f h GLY 29 CO 0.05 0.51 -0.03 -0.84 0.00 0.00 0.00 176.54 176.22 2k0f h THR 30 N 0.55 0.91 -0.42 4.70 2.02 -1.36 -1.65 112.91 117.66 2k0f h THR 30 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2k0f h THR 30 Cb 0.67 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2k0f h THR 30 CO 0.05 0.00 0.22 0.58 0.37 0.00 0.00 175.52 176.74 2k0f h VAL 31 N -0.06 1.17 0.00 3.16 2.07 -1.33 -2.34 116.25 118.91 2k0f h VAL 31 Ca 0.02 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 2k0f h VAL 31 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2k0f h VAL 31 CO -0.04 0.18 -0.67 -0.03 0.02 0.00 0.00 177.57 177.03 2k0f h MET 32 N 0.54 0.00 0.00 1.57 -1.53 -0.92 -1.28 114.93 113.32 2k0f h MET 32 Ca 0.15 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.34 2k0f h MET 32 Cb 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 2k0f h MET 32 CO -0.02 0.67 -0.33 -0.09 0.14 0.00 0.00 176.91 177.28 2k0f h ARG 33 N 0.00 0.00 0.00 0.39 2.43 -1.19 -1.09 114.38 114.93 2k0f h ARG 33 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 33 Cb 1.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 2k0f h ARG 33 CO 0.09 0.33 -0.63 0.77 -1.51 0.00 0.00 179.97 179.02 2k0f h SER 34 N 0.00 0.00 0.43 -3.80 0.02 -0.68 -3.23 113.55 106.28 2k0f h SER 34 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k0f h SER 34 CO 0.04 0.63 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.09 2k0f h LEU 35 N 0.00 -0.48 0.00 5.07 3.38 -1.21 -3.44 115.31 118.63 2k0f h LEU 35 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k0f h LEU 35 Cb 1.31 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2k0f h LEU 35 CO 0.08 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2k0f n GLY 36 N -0.39 0.00 3.14 0.83 0.00 -0.45 -5.01 105.19 103.31 2k0f n GLY 36 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.76 -0.68 1.61 -1.52 -0.97 -4.96 119.66 113.90 2k0f s GLN 37 Ca 0.00 -1.23 -0.11 0.00 -1.95 0.00 0.00 55.36 52.07 2k0f s GLN 37 Cb 0.00 -0.17 0.18 0.00 -0.22 0.00 0.00 33.01 32.79 2k0f s GLN 37 CO 0.00 -0.02 0.58 -0.80 -0.25 0.00 0.00 175.29 174.81 2k0f s ASN 38 N -2.79 6.16 0.89 5.90 0.01 -1.26 -3.09 114.94 120.76 2k0f s ASN 38 Ca 0.08 -2.46 -0.11 0.00 -0.71 0.00 0.00 52.86 49.66 2k0f s ASN 38 Cb 0.03 -2.10 0.12 0.00 0.41 0.00 0.00 41.25 39.71 2k0f s ASN 38 CO -0.04 -0.59 1.09 -2.16 -1.51 0.00 0.00 177.10 173.88 2k0f s PRO 39 N 0.54 1.34 0.08 -0.60 0.04 -1.26 -5.08 135.00 130.06 2k0f s PRO 39 Ca 0.13 0.87 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 2k0f s PRO 39 Cb -0.18 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2k0f s PRO 39 CO -0.04 -2.20 0.38 0.95 0.04 0.00 0.00 177.00 176.13 2k0f s THR 40 N -2.92 5.13 0.30 1.26 -4.23 -1.26 -5.03 115.64 108.89 2k0f s THR 40 Ca 0.63 0.36 0.19 0.00 -1.18 0.00 0.00 61.69 61.70 2k0f s THR 40 Cb -0.18 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.19 2k0f s THR 40 CO 0.57 0.27 1.86 -0.33 -0.54 0.00 0.00 174.62 176.44 2k0f h GLU 41 N 3.65 0.00 -0.42 3.99 5.08 -1.98 -1.87 114.58 123.03 2k0f h GLU 41 Ca -0.49 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 41 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 41 CO 0.67 0.30 -0.03 0.00 -1.00 0.00 0.00 179.01 178.96 2k0f h ALA 42 N 1.70 0.36 -0.20 3.43 0.00 -1.97 0.33 119.26 122.91 2k0f h ALA 42 Ca -0.00 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2k0f h ALA 42 Cb 0.67 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 42 CO 0.04 -0.41 -0.24 1.49 0.00 0.00 0.00 179.25 180.13 2k0f h GLU 43 N 0.08 -0.26 -0.44 0.00 4.81 -1.84 -0.59 114.58 116.34 2k0f h GLU 43 Ca 0.21 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 43 Cb 0.31 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 43 CO -0.37 -0.17 0.29 -0.07 -0.73 0.00 0.00 179.01 177.96 2k0f h LEU 44 N -0.27 0.48 -0.10 1.64 3.38 -0.60 -1.87 115.31 117.98 2k0f h LEU 44 Ca 0.12 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 2k0f h LEU 44 Cb 0.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k0f h LEU 44 CO -0.36 0.35 -0.96 -0.61 0.09 0.00 0.00 178.44 176.94 2k0f h GLN 45 N 0.57 0.03 -0.04 1.13 5.75 -0.09 -2.96 115.11 119.50 2k0f h GLN 45 Ca 0.17 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2k0f h GLN 45 Cb -0.03 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2k0f h GLN 45 CO -0.04 0.97 -0.36 0.22 -2.65 0.00 0.00 178.83 176.97 2k0f h ASP 46 N 0.01 0.07 -0.06 -0.69 3.58 -0.68 -0.72 116.42 117.94 2k0f h ASP 46 Ca -0.02 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2k0f h ASP 46 Cb 1.69 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.72 2k0f h ASP 46 CO 0.13 0.43 -0.03 0.24 -2.88 0.00 0.00 179.24 177.13 2k0f h MET 47 N 0.07 0.12 -0.51 0.28 2.86 -1.36 -3.20 114.93 113.19 2k0f h MET 47 Ca 0.01 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 47 Cb 0.66 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 47 CO 0.05 0.50 0.26 0.82 1.06 0.00 0.00 176.91 179.59 2k0f h ILE 48 N -0.25 0.96 -0.48 -1.22 2.04 -1.34 -3.02 117.51 114.20 2k0f h ILE 48 Ca 0.01 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2k0f h ILE 48 Cb 0.46 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2k0f h ILE 48 CO 0.01 0.09 0.32 0.78 0.00 0.00 0.00 178.15 179.36 2k0f h ASN 49 N 0.51 0.37 0.48 1.72 2.35 -1.23 0.54 115.58 120.31 2k0f h ASN 49 Ca 0.22 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.77 2k0f h ASN 49 Cb 0.13 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2k0f h ASN 49 CO -0.15 0.24 -0.87 -0.08 -1.65 0.00 0.00 177.43 174.92 2k0f h GLU 50 N 0.42 0.27 -0.01 0.81 4.81 -1.52 -2.95 114.58 116.41 2k0f h GLU 50 Ca 0.21 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 50 Cb 0.29 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 50 CO -0.05 0.98 -0.32 1.33 -0.73 0.00 0.00 179.01 180.22 2k0f n VAL 51 N -3.70 0.00 -2.63 0.32 0.24 -0.56 -4.91 118.33 107.09 2k0f n VAL 51 Ca -0.04 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 2k0f n VAL 51 Cb 0.80 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.53 6.89 -0.08 -1.34 2.15 0.07 -4.86 116.67 116.98 2k0f s ASP 52 Ca 0.22 1.00 -0.08 0.00 0.43 0.00 0.00 52.55 54.12 2k0f s ASP 52 Cb 0.19 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 52 CO 0.54 -0.93 0.30 0.00 -0.17 0.00 0.00 175.17 174.91 2k0f h ALA 53 N 8.25 -0.18 0.00 3.66 0.00 -1.90 -3.41 119.26 125.67 2k0f h ALA 53 Ca -0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 53 Cb 1.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 53 CO 1.04 -0.18 -0.56 0.38 0.00 0.00 0.00 179.25 179.94 2k0f h ASP 54 N -1.03 0.00 0.00 0.00 3.04 -1.95 -3.48 116.42 113.00 2k0f h ASP 54 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2k0f h ASP 54 Cb 0.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 2k0f h ASP 54 CO 0.03 0.56 0.00 0.61 -2.04 0.00 0.00 179.24 178.40 2k0f n GLY 55 N 0.14 0.59 0.23 7.15 0.00 -1.26 -4.96 105.19 107.08 2k0f n GLY 55 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.22 1.61 7.08 -1.95 -3.47 115.58 118.63 2k0f h ASN 56 Ca 0.00 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.12 2k0f h ASN 56 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 2k0f h ASN 56 CO 0.00 0.13 -0.09 0.61 -2.08 0.00 0.00 177.43 176.00 2k0f n GLY 57 N 0.50 0.68 3.89 9.14 0.00 -1.26 -5.02 105.19 113.12 2k0f n GLY 57 Ca 0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.93 5.25 -0.49 2.61 -4.23 -1.26 -4.84 115.64 110.75 2k0f s THR 58 Ca 0.00 0.16 -0.26 0.00 -1.18 0.00 0.00 61.69 60.41 2k0f s THR 58 Cb 0.00 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.28 2k0f s THR 58 CO 0.00 0.30 0.98 -0.51 -0.54 0.00 0.00 174.62 174.85 2k0f s ILE 59 N -1.38 4.38 0.82 2.99 2.07 -1.01 -4.82 121.20 124.24 2k0f s ILE 59 Ca 0.31 0.75 -0.11 0.00 -1.41 0.00 0.00 60.65 60.18 2k0f s ILE 59 Cb -0.13 -4.50 0.08 0.00 0.13 0.00 0.00 42.46 38.03 2k0f s ILE 59 CO 0.18 -0.95 1.09 -1.81 -1.91 0.00 0.00 174.94 171.54 2k0f s ASP 60 N 2.45 4.28 0.44 4.50 1.11 -1.26 -2.12 116.67 126.07 2k0f s ASP 60 Ca 0.38 1.41 0.18 0.00 0.18 0.00 0.00 52.55 54.70 2k0f s ASP 60 Cb -0.10 -2.14 1.04 0.00 1.07 0.00 0.00 42.92 42.79 2k0f s ASP 60 CO 0.26 -2.12 1.95 0.15 1.18 0.00 0.00 175.17 176.59 2k0f h PHE 61 N -1.19 0.00 0.00 4.23 3.57 -1.96 -1.55 116.94 120.04 2k0f h PHE 61 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2k0f h PHE 61 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2k0f h PHE 61 CO 0.47 0.23 0.00 -2.30 -2.23 0.00 0.00 178.31 174.49 2k0f n PRO 62 N -3.98 0.02 -0.11 6.41 -0.02 -1.26 0.30 135.00 136.37 2k0f n PRO 62 Ca -0.02 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.43 2k0f n PRO 62 Cb 0.31 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.48 0.58 -0.20 -0.52 1.02 -0.86 -3.64 120.64 115.54 2k0f n GLU 63 Ca 0.04 0.47 -0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2k0f n GLU 63 Cb 0.18 -1.66 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -0.96 0.43 -0.78 -0.32 3.04 -1.26 -2.49 116.94 114.60 2k0f h PHE 64 Ca -0.47 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.49 2k0f h PHE 64 Cb 1.43 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.80 2k0f h PHE 64 CO 0.04 0.13 0.41 1.25 -2.02 0.00 0.00 178.31 178.12 2k0f h LEU 65 N 0.44 1.00 -0.53 0.59 5.85 -0.35 -1.48 115.31 120.83 2k0f h LEU 65 Ca 0.30 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 65 Cb 0.35 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2k0f h LEU 65 CO -0.28 0.82 0.28 0.74 -0.34 0.00 0.00 178.44 179.66 2k0f h THR 66 N 1.09 0.96 0.00 1.05 2.02 -1.55 -0.47 112.91 116.02 2k0f h THR 66 Ca 0.27 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 67.08 2k0f h THR 66 Cb 0.06 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2k0f h THR 66 CO -0.04 0.10 -0.89 0.00 0.37 0.00 0.00 175.52 175.06 2k0f h MET 67 N 0.53 0.02 0.00 6.66 -0.00 -1.14 -3.33 114.93 117.67 2k0f h MET 67 Ca 0.24 -0.02 -0.21 0.00 -0.00 0.00 0.00 59.70 59.70 2k0f h MET 67 Cb 0.14 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 31.71 2k0f h MET 67 CO -0.16 0.89 -1.37 0.52 -0.00 0.00 0.00 176.91 176.79 2k0f h MET 68 N 0.01 0.00 -0.33 -0.10 2.07 -0.58 -3.18 114.93 112.81 2k0f h MET 68 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 1.57 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.30 2k0f h MET 68 CO 0.12 0.46 0.00 0.00 1.07 0.00 0.00 176.91 178.55 2k0f n ALA 69 N -2.43 2.45 -2.48 6.32 0.00 -0.25 -4.80 120.51 119.33 2k0f n ALA 69 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2k0f n ALA 69 Cb 0.91 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.65 4.46 0.25 0.00 3.52 -1.21 -5.03 118.95 119.29 2k0f s ARG 70 Ca 0.00 1.69 -0.23 0.00 -0.13 0.00 0.00 55.73 57.06 2k0f s ARG 70 Cb 0.00 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 2k0f s ARG 70 CO 0.00 -0.22 0.82 0.15 -0.81 0.00 0.00 175.30 175.24 2k0f s LYS 71 N 1.07 4.42 0.07 5.12 1.02 -1.26 -5.07 119.74 125.12 2k0f s LYS 71 Ca 0.57 1.08 0.10 0.00 0.02 0.00 0.00 55.97 57.74 2k0f s LYS 71 Cb -0.28 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2k0f s LYS 71 CO 0.29 0.38 -0.26 -1.64 -0.92 0.00 0.00 175.35 173.19 2k0f s MET 72 N -1.89 1.65 0.02 1.68 -1.94 -1.26 -5.13 119.30 112.44 2k0f s MET 72 Ca 0.45 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2k0f s MET 72 Cb -0.18 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.73 2k0f s MET 72 CO 0.23 0.48 0.02 0.36 -0.01 0.00 0.00 175.02 176.11 2k0f n LYS 73 N 1.49 1.20 0.07 2.03 2.85 -1.26 -4.83 118.16 119.71 2k0f n LYS 73 Ca -0.17 -0.13 -0.11 0.00 -1.05 0.00 0.00 58.31 56.84 2k0f n LYS 73 Cb 0.52 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.83 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N 0.01 -1.13 -0.92 -5.58 5.19 -2.00 0.29 116.42 112.28 2k0f h ASP 74 Ca -0.01 0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 2k0f h ASP 74 Cb 0.05 0.42 -0.06 0.00 0.18 0.00 0.00 39.33 39.92 2k0f h ASP 74 CO 0.02 -0.39 0.60 0.00 -3.12 0.00 0.00 179.24 176.35 2k0f h THR 75 N -0.52 1.05 0.06 0.35 1.03 -2.00 -2.04 112.91 110.84 2k0f h THR 75 Ca -0.00 -0.35 -0.19 0.00 -0.01 0.00 0.00 66.41 65.85 2k0f h THR 75 Cb 0.53 -0.07 0.02 0.00 -1.07 0.00 0.00 68.15 67.56 2k0f h THR 75 CO -0.21 0.19 -0.79 0.44 -0.01 0.00 0.00 175.52 175.13 2k0f h ASP 76 N 1.03 0.60 -0.53 0.00 3.32 -1.92 -3.10 116.42 115.81 2k0f h ASP 76 Ca 0.40 -0.82 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 2k0f h ASP 76 Cb 0.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2k0f h ASP 76 CO -0.16 1.35 0.00 0.28 -1.72 0.00 0.00 179.24 179.00 2k0f h SER 77 N -0.07 0.92 -0.33 6.45 0.02 -0.70 -0.43 113.55 119.40 2k0f h SER 77 Ca -0.11 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2k0f h SER 77 Cb 1.52 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2k0f h SER 77 CO 0.15 1.00 0.16 -0.08 -1.14 0.00 0.00 176.83 176.92 2k0f h GLU 78 N 0.81 0.32 -0.13 3.45 4.57 -1.45 -1.53 114.58 120.62 2k0f h GLU 78 Ca 0.15 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.09 2k0f h GLU 78 Cb 0.53 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2k0f h GLU 78 CO 0.03 0.21 -0.80 1.49 -1.18 0.00 0.00 179.01 178.76 2k0f h GLU 79 N 0.33 0.75 0.23 1.92 4.81 -1.47 -2.63 114.58 118.52 2k0f h GLU 79 Ca 0.14 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2k0f h GLU 79 Cb 0.06 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k0f h GLU 79 CO -0.10 1.24 -0.14 1.49 -0.73 0.00 0.00 179.01 180.76 2k0f h GLU 80 N 0.50 -0.34 -0.78 1.92 4.81 -1.00 0.36 114.58 120.05 2k0f h GLU 80 Ca -0.06 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 80 Cb 1.43 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.75 2k0f h GLU 80 CO 0.16 -0.23 0.03 0.82 -0.73 0.00 0.00 179.01 179.06 2k0f h ILE 81 N -0.35 0.32 -0.97 2.32 2.04 -1.43 -1.83 117.51 117.61 2k0f h ILE 81 Ca -0.03 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.93 2k0f h ILE 81 Cb 0.28 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 2k0f h ILE 81 CO 0.03 0.02 0.61 -0.09 0.00 0.00 0.00 178.15 178.72 2k0f h ARG 82 N 0.11 0.82 0.00 2.37 2.43 -1.16 -1.12 114.38 117.84 2k0f h ARG 82 Ca 0.43 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.43 2k0f h ARG 82 Cb 0.78 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2k0f h ARG 82 CO -0.68 0.55 -0.61 0.93 -1.51 0.00 0.00 179.97 178.64 2k0f h GLU 83 N 0.85 0.00 -0.09 0.20 4.39 0.28 0.64 114.58 120.84 2k0f h GLU 83 Ca 0.50 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.03 2k0f h GLU 83 Cb 0.65 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2k0f h GLU 83 CO -0.27 0.61 -0.64 0.00 -1.16 0.00 0.00 179.01 177.56 2k0f h ALA 84 N 1.39 0.73 -0.42 3.43 0.00 -1.15 -0.64 119.26 122.60 2k0f h ALA 84 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 84 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 84 CO 0.08 0.74 0.11 0.35 0.00 0.00 0.00 179.25 180.53 2k0f h PHE 85 N 0.26 0.62 -0.18 0.00 3.57 -0.59 0.13 116.94 120.74 2k0f h PHE 85 Ca -0.01 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 2k0f h PHE 85 Cb 1.18 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2k0f h PHE 85 CO 0.03 0.53 -0.54 -0.09 -2.23 0.00 0.00 178.31 176.01 2k0f h ARG 86 N 0.60 0.69 0.00 1.11 2.43 -0.60 -1.68 114.38 116.94 2k0f h ARG 86 Ca 0.14 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.69 2k0f h ARG 86 Cb 0.21 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2k0f h ARG 86 CO -0.01 1.12 -0.58 -0.24 -1.51 0.00 0.00 179.97 178.75 2k0f h VAL 87 N 0.38 1.25 -0.38 0.20 3.04 -1.10 -2.95 116.25 116.69 2k0f h VAL 87 Ca -0.02 -2.12 -0.16 0.00 -1.01 0.00 0.00 66.70 63.40 2k0f h VAL 87 Cb 1.16 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 32.63 2k0f h VAL 87 CO 0.12 0.57 -0.38 -0.26 -1.01 0.00 0.00 177.57 176.60 2k0f h PHE 88 N 0.00 1.12 -3.38 3.17 0.04 -0.95 -3.41 116.94 113.52 2k0f h PHE 88 Ca -0.01 -0.34 -0.57 0.00 2.80 0.00 0.00 57.97 59.86 2k0f h PHE 88 Cb 1.15 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 39.00 2k0f h PHE 88 CO 0.00 1.16 0.93 0.34 -0.60 0.00 0.00 178.31 180.15 2k0f s ASP 89 N -6.82 6.70 -0.00 2.17 -1.08 -0.63 -4.83 116.67 112.17 2k0f s ASP 89 Ca -0.11 0.89 -0.25 0.00 -0.52 0.00 0.00 52.55 52.56 2k0f s ASP 89 Cb 0.11 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.84 2k0f s ASP 89 CO 0.88 -1.12 1.32 0.50 0.52 0.00 0.00 175.17 177.27 2k0f h LYS 90 N 9.09 0.05 -0.01 4.34 1.63 -1.82 -3.31 116.57 126.54 2k0f h LYS 90 Ca -0.24 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.31 2k0f h LYS 90 Cb 1.08 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2k0f h LYS 90 CO 1.07 0.49 -0.93 0.38 -3.45 0.00 0.00 179.45 177.01 2k0f h ASP 91 N -0.38 0.58 0.00 4.20 2.03 -1.95 -3.47 116.42 117.43 2k0f h ASP 91 Ca 0.00 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2k0f h ASP 91 Cb 0.47 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2k0f h ASP 91 CO 0.00 1.25 0.00 0.61 -1.03 0.00 0.00 179.24 180.07 2k0f n GLY 92 N 0.91 1.02 0.16 7.15 0.00 -1.25 -5.02 105.19 108.17 2k0f n GLY 92 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 1.61 -1.07 -1.92 -3.47 115.58 110.53 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 0.48 0.00 0.61 0.07 0.00 0.00 177.43 178.59 2k0f n GLY 94 N 0.34 1.17 2.77 9.14 0.00 -1.26 -5.08 105.19 112.27 2k0f n GLY 94 Ca -0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.21 0.27 -0.40 1.61 1.51 -1.26 -4.30 117.35 112.57 2k0f s TYR 95 Ca 0.00 0.06 -0.16 0.00 -1.01 0.00 0.00 57.07 55.96 2k0f s TYR 95 Cb 0.00 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 2k0f s TYR 95 CO 0.00 -0.17 0.36 0.42 -1.11 0.00 0.00 175.55 175.04 2k0f s ILE 96 N 1.47 5.18 0.43 2.71 -1.09 0.87 -4.83 121.20 125.93 2k0f s ILE 96 Ca -0.04 -0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 2k0f s ILE 96 Cb -0.13 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2k0f s ILE 96 CO -0.03 -0.30 0.67 -0.94 -1.23 0.00 0.00 174.94 173.12 2k0f s SER 97 N 1.74 6.13 0.53 3.58 1.04 -1.26 -2.56 113.70 122.90 2k0f s SER 97 Ca 0.09 0.58 0.22 0.00 0.48 0.00 0.00 55.95 57.31 2k0f s SER 97 Cb -0.18 -1.96 1.44 0.00 0.10 0.00 0.00 66.02 65.42 2k0f s SER 97 CO 0.12 -0.53 2.16 0.00 0.98 0.00 0.00 173.24 175.97 2k0f h ALA 98 N 0.44 1.73 -0.16 5.32 0.00 -1.95 -0.83 119.26 123.81 2k0f h ALA 98 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k0f h ALA 98 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.60 0.05 0.10 0.00 0.00 0.00 0.00 179.25 180.00 2k0f h ALA 99 N 1.96 0.21 -0.31 0.00 0.00 -2.00 -2.27 119.26 116.85 2k0f h ALA 99 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 99 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 99 CO 0.00 -0.28 0.11 0.93 0.00 0.00 0.00 179.25 180.02 2k0f h GLU 100 N 0.19 0.48 -0.92 0.00 5.08 -1.57 -2.67 114.58 115.17 2k0f h GLU 100 Ca 0.06 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 100 Cb 0.03 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 100 CO -0.01 0.50 0.61 1.25 -1.00 0.00 0.00 179.01 180.36 2k0f h LEU 101 N 0.36 1.07 -0.94 1.33 5.85 -1.29 -3.01 115.31 118.67 2k0f h LEU 101 Ca 0.10 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2k0f h LEU 101 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 101 CO -0.01 0.78 -0.48 -0.09 -0.34 0.00 0.00 178.44 178.30 2k0f h ARG 102 N 1.26 0.00 0.01 1.25 2.43 -1.08 -3.28 114.38 114.97 2k0f h ARG 102 Ca 0.34 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2k0f h ARG 102 Cb -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2k0f h ARG 102 CO -0.07 0.48 -0.00 1.25 -1.51 0.00 0.00 179.97 180.11 2k0f h HIS 103 N 0.00 -0.01 -0.58 2.20 2.76 -1.35 -0.99 115.15 117.18 2k0f h HIS 103 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2k0f h HIS 103 Cb 0.93 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 2k0f h HIS 103 CO 0.00 0.22 0.25 -0.24 -1.30 0.00 0.00 177.93 176.87 2k0f h VAL 104 N -0.24 1.22 -0.27 5.26 3.04 -1.63 -1.18 116.25 122.44 2k0f h VAL 104 Ca -0.00 -0.66 0.04 0.00 -1.01 0.00 0.00 66.70 65.07 2k0f h VAL 104 Cb 0.24 0.57 -0.07 0.00 -2.01 0.00 0.00 31.29 30.02 2k0f h VAL 104 CO 0.00 0.26 -0.51 0.24 -1.01 0.00 0.00 177.57 176.55 2k0f h MET 105 N 0.80 -0.42 -0.31 4.17 2.07 -1.58 -0.45 114.93 119.21 2k0f h MET 105 Ca 0.20 0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.84 2k0f h MET 105 Cb 0.17 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 105 CO -0.02 -0.28 0.12 1.79 1.07 0.00 0.00 176.91 179.59 2k0f h THR 106 N -0.44 1.12 -0.68 2.22 1.35 -1.02 0.66 112.91 116.12 2k0f h THR 106 Ca 0.05 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 65.50 2k0f h THR 106 Cb 0.58 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.73 2k0f h THR 106 CO -0.49 0.15 0.31 0.78 -0.25 0.00 0.00 175.52 176.02 2k0f h ASN 107 N 0.43 0.90 1.72 5.36 2.35 -0.88 -2.98 115.58 122.49 2k0f h ASN 107 Ca 0.11 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 107 Cb 0.09 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2k0f h ASN 107 CO -0.01 0.79 0.00 -0.07 -1.65 0.00 0.00 177.43 176.49 2k0f h LEU 108 N 0.95 0.00 0.00 1.61 3.38 -0.34 -3.44 115.31 117.47 2k0f h LEU 108 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k0f h LEU 108 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k0f h LEU 108 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2k0f n GLY 109 N 0.82 0.73 3.79 0.83 0.00 -0.18 -5.08 105.19 106.09 2k0f n GLY 109 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 0.54 3.08 -0.72 1.61 0.41 0.05 -4.99 118.70 118.67 2k0f s GLU 110 Ca 0.00 -0.48 0.01 0.00 -0.41 0.00 0.00 54.97 54.09 2k0f s GLU 110 Cb 0.00 -2.87 0.18 0.00 -1.78 0.00 0.00 34.13 29.66 2k0f s GLU 110 CO 0.00 0.65 0.54 0.15 -0.49 0.00 0.00 175.26 176.11 2k0f s LYS 111 N -1.74 2.70 0.48 1.61 1.02 -1.26 -3.84 119.74 118.70 2k0f s LYS 111 Ca 0.23 -3.03 -0.19 0.00 0.02 0.00 0.00 55.97 53.00 2k0f s LYS 111 Cb -0.12 -3.66 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 2k0f s LYS 111 CO 0.14 -1.23 0.99 -0.51 -0.92 0.00 0.00 175.35 173.82 2k0f s LEU 112 N -0.92 3.81 0.55 3.17 1.02 -1.26 -5.10 118.68 119.94 2k0f s LEU 112 Ca 0.23 1.74 0.08 0.00 0.02 0.00 0.00 54.13 56.20 2k0f s LEU 112 Cb -0.12 -4.54 0.06 0.00 0.02 0.00 0.00 46.19 41.61 2k0f s LEU 112 CO -0.10 -0.60 0.62 0.42 0.02 0.00 0.00 176.35 176.72 2k0f s THR 113 N -2.25 2.03 0.19 5.49 -4.23 -1.26 -5.01 115.64 110.61 2k0f s THR 113 Ca 0.63 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 2k0f s THR 113 Cb -0.12 -2.23 -0.12 0.00 1.34 0.00 0.00 72.50 71.37 2k0f s THR 113 CO 0.21 0.00 1.44 0.44 -0.54 0.00 0.00 174.62 176.17 2k0f h ASP 114 N 0.45 0.03 0.57 3.99 3.32 -2.00 -1.64 116.42 121.14 2k0f h ASP 114 Ca -0.33 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.48 2k0f h ASP 114 Cb 1.29 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 114 CO 0.48 0.83 -0.92 -0.33 -1.72 0.00 0.00 179.24 177.58 2k0f h GLU 115 N 0.01 0.22 0.72 3.56 3.07 -1.98 -2.54 114.58 117.65 2k0f h GLU 115 Ca -0.01 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 2k0f h GLU 115 Cb 1.44 0.08 0.01 0.00 -0.84 0.00 0.00 28.75 29.43 2k0f h GLU 115 CO 0.11 0.99 -0.35 0.93 -1.40 0.00 0.00 179.01 179.30 2k0f h GLU 116 N 0.12 -0.93 -0.29 2.33 5.08 -1.70 -1.25 114.58 117.94 2k0f h GLU 116 Ca -0.05 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 116 Cb 1.56 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2k0f h GLU 116 CO 0.14 -0.61 -0.07 0.28 -1.00 0.00 0.00 179.01 177.76 2k0f h VAL 117 N -1.03 1.20 -0.25 3.13 2.07 -1.52 -1.93 116.25 117.93 2k0f h VAL 117 Ca -0.10 -0.86 -0.17 0.00 0.82 0.00 0.00 66.70 66.39 2k0f h VAL 117 Cb 0.76 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2k0f h VAL 117 CO 0.16 0.28 -0.52 -0.78 0.02 0.00 0.00 177.57 176.73 2k0f h ASP 118 N 0.43 0.90 -0.38 0.57 1.82 -1.44 -2.31 116.42 116.01 2k0f h ASP 118 Ca 0.09 -0.55 0.06 0.00 -0.39 0.00 0.00 57.03 56.24 2k0f h ASP 118 Cb 0.39 -0.26 -0.09 0.00 0.68 0.00 0.00 39.33 40.06 2k0f h ASP 118 CO 0.02 1.28 -0.48 -0.08 -1.61 0.00 0.00 179.24 178.36 2k0f h GLU 119 N 0.55 -0.36 -0.96 0.28 4.81 -0.93 -2.92 114.58 115.05 2k0f h GLU 119 Ca 0.01 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 119 Cb 1.13 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2k0f h GLU 119 CO 0.12 -0.24 0.62 0.52 -0.73 0.00 0.00 179.01 179.29 2k0f h MET 120 N -0.38 1.12 -0.17 1.92 2.86 -1.15 -0.50 114.93 118.64 2k0f h MET 120 Ca 0.11 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 120 Cb 0.60 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 120 CO -0.57 0.74 -0.02 0.82 1.06 0.00 0.00 176.91 178.94 2k0f h ILE 121 N 1.16 1.27 -0.72 -1.22 1.08 -1.41 -2.79 117.51 114.87 2k0f h ILE 121 Ca 0.40 -0.94 -0.06 0.00 -0.39 0.00 0.00 64.86 63.88 2k0f h ILE 121 Cb 0.10 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 2k0f h ILE 121 CO -0.15 0.28 0.22 0.03 -0.69 0.00 0.00 178.15 177.84 2k0f h ARG 122 N 0.03 1.12 -0.22 2.37 3.08 -1.34 -0.93 114.38 118.49 2k0f h ARG 122 Ca 0.04 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 2k0f h ARG 122 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2k0f h ARG 122 CO 0.01 0.96 -0.25 1.49 -1.07 0.00 0.00 179.97 181.11 2k0f h GLU 123 N 1.08 0.42 0.18 0.04 4.81 -1.06 -3.10 114.58 116.95 2k0f h GLU 123 Ca 0.23 -0.15 -0.30 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 123 Cb 0.31 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 123 CO -0.01 0.64 -1.46 0.00 -0.73 0.00 0.00 179.01 177.45 2k0f h ALA 124 N 1.36 0.04 -2.64 2.92 0.00 -1.34 -3.47 119.26 116.14 2k0f h ALA 124 Ca 0.06 -0.99 -0.50 0.00 0.00 0.00 0.00 54.91 53.47 2k0f h ALA 124 Cb 0.64 0.34 0.05 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 124 CO 0.05 0.80 0.46 0.34 0.00 0.00 0.00 179.25 180.90 2k0f s ASP 125 N -7.25 6.24 0.04 0.00 2.15 -0.37 -4.67 116.67 112.81 2k0f s ASP 125 Ca -0.15 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.07 2k0f s ASP 125 Cb 0.04 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 125 CO 0.85 -0.86 0.00 -0.38 -0.17 0.00 0.00 175.17 174.61 2k0f n ILE 126 N -0.50 0.44 -0.23 4.11 5.41 -1.26 -4.74 119.36 122.59 2k0f n ILE 126 Ca 0.07 0.15 -0.03 0.00 1.00 0.00 0.00 62.75 63.94 2k0f n ILE 126 Cb 0.49 -1.52 0.16 0.00 -0.71 0.00 0.00 39.64 38.05 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 0.00 0.94 0.00 4.38 3.04 -1.95 -3.47 116.42 119.35 2k0f h ASP 127 Ca 0.00 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2k0f h ASP 127 Cb 0.64 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 2k0f h ASP 127 CO 0.00 0.80 0.00 0.61 -2.04 0.00 0.00 179.24 178.61 2k0f n GLY 128 N -1.07 1.23 0.17 7.15 0.00 -1.26 -5.00 105.19 106.41 2k0f n GLY 128 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.16 0.00 1.61 3.04 -1.97 -3.47 116.42 115.79 2k0f h ASP 129 Ca 0.00 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2k0f h ASP 129 Cb 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 2k0f h ASP 129 CO 0.00 0.66 0.00 0.61 -2.04 0.00 0.00 179.24 178.47 2k0f n GLY 130 N 0.05 1.59 3.14 7.15 0.00 -1.26 -5.10 105.19 110.76 2k0f n GLY 130 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.08 0.30 -0.20 1.61 -0.21 -1.26 -4.74 119.66 115.07 2k0f s GLN 131 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 55.36 55.57 2k0f s GLN 131 Cb 0.00 0.05 -0.00 0.00 1.00 0.00 0.00 33.01 34.05 2k0f s GLN 131 CO 0.00 -0.09 1.17 0.08 -2.12 0.00 0.00 175.29 174.33 2k0f s VAL 132 N 0.66 4.44 0.44 1.09 1.01 -1.06 -4.70 120.40 122.28 2k0f s VAL 132 Ca -0.04 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.75 2k0f s VAL 132 Cb -0.05 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k0f s VAL 132 CO -0.04 -0.17 0.56 0.54 0.00 0.00 0.00 175.10 175.98 2k0f s ASN 133 N 1.69 5.44 0.18 3.32 4.22 -1.26 -0.09 114.94 128.43 2k0f s ASN 133 Ca 0.50 -0.56 -0.13 0.00 -2.14 0.00 0.00 52.86 50.53 2k0f s ASN 133 Cb -0.19 -0.49 0.13 0.00 1.28 0.00 0.00 41.25 41.98 2k0f s ASN 133 CO 0.11 -0.82 1.80 0.22 -2.04 0.00 0.00 177.10 176.37 2k0f h TYR 134 N 0.66 0.52 0.00 1.54 3.20 -1.97 -0.18 116.97 120.74 2k0f h TYR 134 Ca -0.39 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 1.28 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 2k0f h TYR 134 CO 0.44 0.27 -0.00 0.93 -1.64 0.00 0.00 178.16 178.16 2k0f h GLU 135 N 0.55 0.00 0.09 1.82 5.08 -1.97 1.00 114.58 121.15 2k0f h GLU 135 Ca 0.22 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 135 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 135 CO -0.13 0.00 -0.74 0.93 -1.00 0.00 0.00 179.01 178.07 2k0f h GLU 136 N 0.00 0.20 0.57 2.33 5.08 -1.39 -2.79 114.58 118.57 2k0f h GLU 136 Ca -0.00 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2k0f h GLU 136 Cb 0.20 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 136 CO 0.00 1.16 -0.30 0.35 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 137 N -0.55 -0.78 -0.60 4.33 3.57 -0.79 -0.46 116.94 121.66 2k0f h PHE 137 Ca -0.15 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 2k0f h PHE 137 Cb 1.49 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.47 2k0f h PHE 137 CO 0.20 -0.47 0.10 0.28 -2.23 0.00 0.00 178.31 176.19 2k0f h VAL 138 N -0.80 1.25 -0.73 1.41 2.07 -0.92 -1.61 116.25 116.92 2k0f h VAL 138 Ca -0.07 -0.96 0.14 0.00 0.82 0.00 0.00 66.70 66.62 2k0f h VAL 138 Cb 0.63 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 138 CO 0.11 0.36 0.26 -0.61 0.02 0.00 0.00 177.57 177.70 2k0f h GLN 139 N 0.91 0.38 -0.08 1.57 5.75 -1.30 -1.67 115.11 120.67 2k0f h GLN 139 Ca 0.19 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2k0f h GLN 139 Cb 0.39 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 2k0f h GLN 139 CO 0.01 0.25 0.05 1.98 -2.65 0.00 0.00 178.83 178.47 2k0f h MET 140 N 0.40 0.11 0.00 1.69 4.05 -0.13 -3.33 114.93 117.72 2k0f h MET 140 Ca 0.40 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.81 2k0f h MET 140 Cb 0.61 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2k0f h MET 140 CO -0.41 0.14 -0.40 0.52 0.23 0.00 0.00 176.91 176.98 2k0f h MET 141 N 0.05 0.00 0.00 0.39 2.86 -1.04 -3.51 114.93 113.68 2k0f h MET 141 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 141 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2k0f h MET 141 CO -0.00 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.38