#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 0.83 -0.56 -0.78 4.57 -2.05 -1.21 114.58 115.38 2k0f h GLU 2 Ca 0.00 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 2k0f h GLU 2 Cb 0.00 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2k0f h GLU 2 CO 0.00 0.79 0.23 1.05 -1.18 0.00 0.00 179.01 179.91 2k0f h GLU 3 N 0.79 0.83 0.01 1.92 9.09 -2.05 -1.80 114.58 123.38 2k0f h GLU 3 Ca 0.16 -0.15 -0.25 0.00 0.05 0.00 0.00 59.36 59.17 2k0f h GLU 3 Cb 0.38 -0.14 -0.04 0.00 -1.65 0.00 0.00 28.75 27.31 2k0f h GLU 3 CO 0.01 0.72 -1.35 1.96 0.05 0.00 0.00 179.01 180.40 2k0f h GLN 4 N 0.77 0.02 -0.09 1.06 4.20 -1.87 -1.24 115.11 117.96 2k0f h GLN 4 Ca 0.19 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 2k0f h GLN 4 Cb 0.19 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2k0f h GLN 4 CO -0.02 0.79 -0.77 0.82 -0.67 0.00 0.00 178.83 178.98 2k0f h ILE 5 N 0.01 1.35 -0.44 2.54 1.08 -1.30 -1.65 117.51 119.10 2k0f h ILE 5 Ca -0.15 -2.12 -0.03 0.00 -0.39 0.00 0.00 64.86 62.17 2k0f h ILE 5 Cb 1.89 2.11 -0.02 0.00 -3.07 0.00 0.00 36.82 37.73 2k0f h ILE 5 CO 0.11 0.65 0.13 0.00 -0.69 0.00 0.00 178.15 178.35 2k0f h ALA 6 N 0.79 1.41 -0.48 1.87 0.00 -1.31 -0.26 119.26 121.28 2k0f h ALA 6 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 6 Cb 1.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 6 CO 0.14 0.43 0.12 1.49 0.00 0.00 0.00 179.25 181.43 2k0f h GLU 7 N 0.63 0.78 0.19 0.00 4.81 -0.90 -0.72 114.58 119.36 2k0f h GLU 7 Ca 0.15 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 7 Cb 0.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2k0f h GLU 7 CO -0.01 0.76 -0.09 0.74 -0.73 0.00 0.00 179.01 179.68 2k0f h PHE 8 N 0.66 -0.24 -0.32 0.92 0.04 -1.22 -3.16 116.94 113.61 2k0f h PHE 8 Ca 0.15 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 2k0f h PHE 8 Cb 0.33 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 2k0f h PHE 8 CO 0.02 -0.08 0.20 0.87 -0.60 0.00 0.00 178.31 178.73 2k0f h LYS 9 N -0.34 0.44 0.00 1.51 1.57 -0.85 0.49 116.57 119.38 2k0f h LYS 9 Ca -0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2k0f h LYS 9 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2k0f h LYS 9 CO 0.04 0.32 -0.32 0.93 -0.57 0.00 0.00 179.45 179.85 2k0f h GLU 10 N 0.42 0.00 -0.08 3.15 5.08 -1.28 0.11 114.58 121.99 2k0f h GLU 10 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 10 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 10 CO -0.02 0.32 -0.07 0.00 -1.00 0.00 0.00 179.01 178.24 2k0f h ALA 11 N 1.68 0.11 -0.88 3.43 0.00 -1.49 -3.22 119.26 118.89 2k0f h ALA 11 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 11 Cb 1.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2k0f h ALA 11 CO 0.04 -0.08 0.58 0.35 0.00 0.00 0.00 179.25 180.15 2k0f h PHE 12 N -0.24 1.10 0.00 0.00 3.57 -0.61 -2.75 116.94 118.01 2k0f h PHE 12 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 12 Cb 0.58 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2k0f h PHE 12 CO 0.09 0.69 -0.04 0.77 -2.23 0.00 0.00 178.31 177.59 2k0f h SER 13 N 1.19 0.00 -0.03 0.41 0.02 -0.79 0.16 113.55 114.51 2k0f h SER 13 Ca 0.32 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 13 Cb -0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2k0f h SER 13 CO -0.07 0.04 -0.38 0.25 -1.14 0.00 0.00 176.83 175.52 2k0f h LEU 14 N 0.00 0.57 0.03 5.07 6.46 -1.50 -3.25 115.31 122.69 2k0f h LEU 14 Ca -0.00 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2k0f h LEU 14 Cb 0.11 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2k0f h LEU 14 CO 0.00 0.89 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.44 2k0f h PHE 15 N 0.45 -0.04 -2.98 1.25 0.04 -1.23 -3.46 116.94 110.97 2k0f h PHE 15 Ca 0.04 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.24 2k0f h PHE 15 Cb 0.87 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.98 2k0f h PHE 15 CO 0.03 0.65 0.85 0.34 -0.60 0.00 0.00 178.31 179.59 2k0f s ASP 16 N -5.91 7.00 0.19 2.17 2.15 -0.10 -4.81 116.67 117.38 2k0f s ASP 16 Ca -0.15 1.59 0.15 0.00 0.43 0.00 0.00 52.55 54.58 2k0f s ASP 16 Cb -0.01 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 16 CO 0.56 -0.72 1.22 0.50 -0.17 0.00 0.00 175.17 176.56 2k0f h LYS 17 N 7.91 0.00 0.00 4.34 3.64 -1.88 -3.33 116.57 127.25 2k0f h LYS 17 Ca -0.24 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2k0f h LYS 17 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2k0f h LYS 17 CO 0.97 0.44 -0.00 -0.44 -2.27 0.00 0.00 179.45 178.15 2k0f h ASP 18 N 0.00 -0.00 -1.24 4.20 3.32 -1.92 -3.49 116.42 117.29 2k0f h ASP 18 Ca -0.06 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k0f h ASP 18 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2k0f h ASP 18 CO 0.06 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.90 2k0f n GLY 19 N 1.69 0.61 0.17 2.75 0.00 -1.25 -5.04 105.19 104.12 2k0f n GLY 19 Ca -0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.17 2.44 0.00 1.61 5.75 -1.26 -5.04 116.55 119.88 2k0f n ASP 20 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2k0f n ASP 20 Cb 0.37 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 2.58 1.30 3.21 6.12 0.00 -1.26 -5.09 105.19 112.05 2k0f n GLY 21 Ca -0.29 0.00 -0.21 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 1.38 -0.21 2.61 -4.23 -1.26 -2.18 115.64 109.74 2k0f s THR 22 Ca 0.00 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 2k0f s THR 22 Cb 0.00 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2k0f s THR 22 CO 0.00 -0.07 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.31 2k0f s ILE 23 N -1.10 3.22 0.31 2.99 1.01 -0.17 -4.77 121.20 122.71 2k0f s ILE 23 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2k0f s ILE 23 Cb -0.09 -2.45 0.07 0.00 0.01 0.00 0.00 42.46 39.99 2k0f s ILE 23 CO 0.03 0.44 0.42 0.35 0.00 0.00 0.00 174.94 176.18 2k0f n THR 24 N 4.70 0.00 -0.11 2.92 -2.24 -1.26 -1.99 114.28 116.30 2k0f n THR 24 Ca -0.18 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.12 2k0f n THR 24 Cb 0.51 -1.63 0.10 0.00 -2.10 0.00 0.00 70.33 67.21 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -1.00 1.26 -0.35 4.28 1.35 -1.92 -2.97 112.91 113.57 2k0f h THR 25 Ca -0.14 -1.22 -0.16 0.00 -0.55 0.00 0.00 66.41 64.34 2k0f h THR 25 Cb 0.41 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2k0f h THR 25 CO 0.11 0.42 -0.42 0.11 -0.25 0.00 0.00 175.52 175.49 2k0f h LYS 26 N 0.73 0.88 -0.27 4.72 1.57 -1.94 -0.07 116.57 122.19 2k0f h LYS 26 Ca 0.12 -0.48 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2k0f h LYS 26 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k0f h LYS 26 CO 0.04 1.12 0.18 0.93 -0.57 0.00 0.00 179.45 181.16 2k0f h GLU 27 N 0.71 0.26 0.04 3.15 5.08 -1.85 -2.51 114.58 119.46 2k0f h GLU 27 Ca 0.05 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 27 Cb 1.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.20 2k0f h GLU 27 CO 0.10 0.17 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.94 2k0f h LEU 28 N 0.27 0.17 -1.85 1.33 3.38 -1.32 -3.36 115.31 113.93 2k0f h LEU 28 Ca 0.11 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 2k0f h LEU 28 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k0f h LEU 28 CO -0.02 1.08 -0.12 1.23 0.09 0.00 0.00 178.44 180.70 2k0f h GLY 29 N -0.71 0.00 0.97 0.83 0.00 -0.59 -0.22 103.07 103.35 2k0f h GLY 29 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 2k0f h GLY 29 CO 0.05 0.00 -0.30 -0.84 0.00 0.00 0.00 176.54 175.45 2k0f h THR 30 N 0.00 1.30 -0.01 4.70 2.02 -1.67 -2.77 112.91 116.49 2k0f h THR 30 Ca -0.00 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 2k0f h THR 30 Cb 0.37 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2k0f h THR 30 CO 0.02 0.47 -0.01 0.58 0.37 0.00 0.00 175.52 176.95 2k0f h VAL 31 N 0.45 1.36 -0.70 3.16 2.07 -1.19 0.23 116.25 121.62 2k0f h VAL 31 Ca 0.04 -1.06 0.13 0.00 0.82 0.00 0.00 66.70 66.63 2k0f h VAL 31 Cb 0.87 2.06 -0.13 0.00 -1.52 0.00 0.00 31.29 32.57 2k0f h VAL 31 CO 0.07 0.28 -0.28 0.24 0.02 0.00 0.00 177.57 177.90 2k0f h MET 32 N -0.42 -0.08 0.00 1.57 2.07 -1.61 -1.25 114.93 115.21 2k0f h MET 32 Ca 0.00 0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.55 2k0f h MET 32 Cb 0.46 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 2k0f h MET 32 CO 0.00 -0.05 -0.44 -0.09 1.07 0.00 0.00 176.91 177.40 2k0f h ARG 33 N -0.08 0.00 -0.15 1.72 2.43 -1.36 0.30 114.38 117.24 2k0f h ARG 33 Ca 0.30 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2k0f h ARG 33 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2k0f h ARG 33 CO -0.75 0.44 -0.27 0.77 -1.51 0.00 0.00 179.97 178.64 2k0f h SER 34 N 0.00 0.27 -0.10 -3.80 0.02 -0.13 -3.00 113.55 106.81 2k0f h SER 34 Ca -0.00 -0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.62 2k0f h SER 34 Cb 1.04 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.52 2k0f h SER 34 CO 0.06 0.55 -0.86 -0.07 -1.14 0.00 0.00 176.83 175.37 2k0f h LEU 35 N 0.24 0.93 0.00 5.07 3.38 -0.63 -3.41 115.31 120.90 2k0f h LEU 35 Ca 0.04 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2k0f h LEU 35 Cb 0.62 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k0f h LEU 35 CO 0.04 1.45 0.00 0.61 0.09 0.00 0.00 178.44 180.64 2k0f n GLY 36 N 0.81 0.31 3.57 0.83 0.00 0.04 -5.10 105.19 105.66 2k0f n GLY 36 Ca -0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 0.72 -0.75 1.61 -2.07 -1.19 -4.96 119.66 113.02 2k0f s GLN 37 Ca 0.00 0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.85 2k0f s GLN 37 Cb 0.00 0.34 0.27 0.00 -1.09 0.00 0.00 33.01 32.53 2k0f s GLN 37 CO 0.00 -0.21 0.96 0.09 -1.32 0.00 0.00 175.29 174.81 2k0f n ASN 38 N 1.06 4.52 -4.34 12.60 3.02 -1.26 -3.24 115.26 127.61 2k0f n ASN 38 Ca -0.13 -3.45 -0.29 0.00 -0.03 0.00 0.00 54.58 50.67 2k0f n ASN 38 Cb 0.57 -0.82 0.18 0.00 -0.61 0.00 0.00 39.78 39.10 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -2.63 0.26 0.46 3.52 0.04 -1.26 -5.02 135.00 130.37 2k0f s PRO 39 Ca 0.38 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 2k0f s PRO 39 Cb 0.13 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 2k0f s PRO 39 CO 0.01 -2.75 0.93 0.95 0.04 0.00 0.00 177.00 176.19 2k0f s THR 40 N -3.31 4.54 0.29 1.26 -4.23 -1.26 -4.99 115.64 107.94 2k0f s THR 40 Ca 0.68 1.20 0.02 0.00 -1.18 0.00 0.00 61.69 62.41 2k0f s THR 40 Cb -0.11 -3.68 0.10 0.00 1.34 0.00 0.00 72.50 70.15 2k0f s THR 40 CO 0.54 -0.53 1.77 -0.08 -0.54 0.00 0.00 174.62 175.79 2k0f h GLU 41 N 1.34 0.56 -0.49 3.99 4.81 -1.95 -2.99 114.58 119.85 2k0f h GLU 41 Ca -0.48 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 58.68 2k0f h GLU 41 Cb 1.18 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2k0f h GLU 41 CO 0.62 0.68 -0.26 0.00 -0.73 0.00 0.00 179.01 179.32 2k0f h ALA 42 N 1.35 0.05 0.00 2.92 0.00 -1.99 -3.09 119.26 118.50 2k0f h ALA 42 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 42 Cb 0.53 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 42 CO 0.03 -0.61 -0.05 1.05 0.00 0.00 0.00 179.25 179.67 2k0f h GLU 43 N -0.15 0.00 0.00 0.00 4.11 -1.92 -2.27 114.58 114.35 2k0f h GLU 43 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.61 2k0f h GLU 43 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 43 CO -0.58 0.00 -0.18 -0.07 0.07 0.00 0.00 179.01 178.25 2k0f h LEU 44 N 0.00 0.00 -0.36 3.06 3.38 -1.47 -3.22 115.31 116.70 2k0f h LEU 44 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2k0f h LEU 44 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2k0f h LEU 44 CO 0.00 0.18 -0.70 -0.61 0.09 0.00 0.00 178.44 177.40 2k0f h GLN 45 N 0.00 0.56 -0.69 1.13 5.75 -1.35 -1.45 115.11 119.05 2k0f h GLN 45 Ca -0.00 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2k0f h GLN 45 Cb 0.54 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2k0f h GLN 45 CO 0.02 1.05 0.43 -0.44 -2.65 0.00 0.00 178.83 177.24 2k0f h ASP 46 N 0.39 0.82 -0.27 -0.69 3.32 -1.62 0.13 116.42 118.51 2k0f h ASP 46 Ca -0.03 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.03 2k0f h ASP 46 Cb 1.28 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 2k0f h ASP 46 CO 0.13 0.63 -0.27 -0.03 -1.72 0.00 0.00 179.24 177.98 2k0f h MET 47 N 0.94 -0.26 -0.16 3.56 4.05 -1.55 -1.98 114.93 119.54 2k0f h MET 47 Ca 0.25 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2k0f h MET 47 Cb -0.05 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2k0f h MET 47 CO -0.05 -0.17 0.10 0.82 0.23 0.00 0.00 176.91 177.84 2k0f h ILE 48 N -0.27 1.05 -0.88 1.77 1.08 -1.13 -2.59 117.51 116.54 2k0f h ILE 48 Ca 0.14 -0.12 0.16 0.00 -0.39 0.00 0.00 64.86 64.65 2k0f h ILE 48 Cb 0.49 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 2k0f h ILE 48 CO -0.42 0.05 0.57 0.78 -0.69 0.00 0.00 178.15 178.44 2k0f h ASN 49 N 0.20 0.59 0.65 1.72 2.35 -0.76 -0.75 115.58 119.57 2k0f h ASN 49 Ca 0.06 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 49 Cb -0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2k0f h ASN 49 CO -0.01 0.28 -0.19 -0.08 -1.65 0.00 0.00 177.43 175.78 2k0f h GLU 50 N 0.61 0.00 -0.19 0.81 4.81 -0.94 -2.41 114.58 117.27 2k0f h GLU 50 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2k0f h GLU 50 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2k0f h GLU 50 CO -0.20 0.19 0.00 1.33 -0.73 0.00 0.00 179.01 179.60 2k0f n VAL 51 N -3.52 0.54 -2.83 0.32 0.24 -0.70 -5.00 118.33 107.37 2k0f n VAL 51 Ca -0.01 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 2k0f n VAL 51 Cb 0.34 0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.97 6.92 -0.06 -1.34 2.15 -0.37 -4.91 116.67 118.08 2k0f s ASP 52 Ca 0.19 1.14 -0.00 0.00 0.43 0.00 0.00 52.55 54.30 2k0f s ASP 52 Cb 0.11 -2.46 -0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2k0f s ASP 52 CO 0.15 -0.53 -0.01 0.00 -0.17 0.00 0.00 175.17 174.61 2k0f h ALA 53 N 7.57 0.00 -3.00 3.66 0.00 -1.91 -3.45 119.26 122.13 2k0f h ALA 53 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 53 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 53 CO 0.89 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 2k0f n ASP 54 N -3.69 0.00 0.00 0.00 5.68 -1.26 -4.99 116.55 112.29 2k0f n ASP 54 Ca -0.00 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 2k0f n ASP 54 Cb 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.25 0.00 0.17 6.12 0.00 -1.26 -5.01 105.19 104.96 2k0f n GLY 55 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.45 1.61 7.08 -1.97 -3.47 115.58 115.37 2k0f h ASN 56 Ca 0.00 -0.01 -0.21 0.00 -3.08 0.00 0.00 56.30 53.00 2k0f h ASN 56 Cb 0.00 0.00 0.07 0.00 -2.08 0.00 0.00 38.32 36.31 2k0f h ASN 56 CO 0.00 0.00 -0.35 0.61 -2.08 0.00 0.00 177.43 175.61 2k0f n GLY 57 N 1.15 0.16 3.07 9.14 0.00 -1.26 -5.03 105.19 112.42 2k0f n GLY 57 Ca 0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.14 -0.02 -0.25 2.61 -4.23 -1.26 -4.78 115.64 104.57 2k0f s THR 58 Ca 0.30 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 58 Cb -0.13 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 2k0f s THR 58 CO 0.37 0.03 1.43 -0.51 -0.54 0.00 0.00 174.62 175.39 2k0f s ILE 59 N 0.71 3.97 0.83 2.99 2.07 -0.84 -4.82 121.20 126.12 2k0f s ILE 59 Ca -0.05 1.11 -0.06 0.00 -1.41 0.00 0.00 60.65 60.24 2k0f s ILE 59 Cb -0.06 -3.95 0.17 0.00 0.13 0.00 0.00 42.46 38.75 2k0f s ILE 59 CO -0.04 -0.35 1.14 -1.81 -1.91 0.00 0.00 174.94 171.96 2k0f s ASP 60 N 3.25 3.71 0.11 4.50 1.11 -1.26 -0.99 116.67 127.10 2k0f s ASP 60 Ca 0.62 -0.27 -0.18 0.00 0.18 0.00 0.00 52.55 52.90 2k0f s ASP 60 Cb -0.21 0.11 -0.05 0.00 1.07 0.00 0.00 42.92 43.85 2k0f s ASP 60 CO 0.25 -2.31 1.67 0.15 1.18 0.00 0.00 175.17 176.11 2k0f h PHE 61 N -1.01 0.43 -0.00 4.23 3.57 -1.84 -0.86 116.94 121.46 2k0f h PHE 61 Ca -0.38 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.24 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2k0f h PHE 61 CO -0.70 0.41 -0.02 -0.35 -2.23 0.00 0.00 178.31 175.42 2k0f n PRO 62 N -4.77 0.17 0.08 6.41 -0.04 -1.26 -0.83 135.00 134.77 2k0f n PRO 62 Ca -0.02 -0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 2k0f n PRO 62 Cb 0.12 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.02 0.32 -0.47 0.54 5.08 -1.86 -2.23 114.58 115.98 2k0f h GLU 63 Ca 0.00 -0.54 0.07 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 63 Cb 0.42 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 63 CO 0.00 1.21 0.11 0.35 -1.00 0.00 0.00 179.01 179.68 2k0f h PHE 64 N 0.09 0.19 -0.54 4.33 3.04 -0.99 -1.85 116.94 121.21 2k0f h PHE 64 Ca -0.25 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.72 2k0f h PHE 64 Cb 2.05 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 40.52 2k0f h PHE 64 CO 0.08 0.03 0.29 1.25 -2.02 0.00 0.00 178.31 177.94 2k0f h LEU 65 N 0.26 0.68 -0.42 0.59 6.46 -1.00 -0.82 115.31 121.06 2k0f h LEU 65 Ca 0.23 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 2k0f h LEU 65 Cb 0.28 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 2k0f h LEU 65 CO -0.28 0.58 0.19 0.74 -0.62 0.00 0.00 178.44 179.05 2k0f h THR 66 N 0.73 0.94 -0.18 1.05 2.02 -1.34 0.41 112.91 116.54 2k0f h THR 66 Ca 0.19 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 66 Cb 0.06 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2k0f h THR 66 CO -0.03 0.07 0.12 -0.03 0.37 0.00 0.00 175.52 176.02 2k0f h MET 67 N 0.39 0.23 0.00 6.66 1.85 -1.02 -3.21 114.93 119.83 2k0f h MET 67 Ca 0.18 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 59.15 2k0f h MET 67 Cb 0.11 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 2k0f h MET 67 CO -0.15 0.17 -0.72 0.52 -0.40 0.00 0.00 176.91 176.32 2k0f h MET 68 N 0.23 0.00 0.00 0.39 2.07 -0.60 -3.32 114.93 113.70 2k0f h MET 68 Ca 0.06 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 68 Cb -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 2k0f h MET 68 CO -0.01 0.36 -0.47 0.00 1.07 0.00 0.00 176.91 177.86 2k0f h ALA 69 N 1.56 0.70 -2.78 6.32 0.00 -0.32 -3.45 119.26 121.30 2k0f h ALA 69 Ca -0.04 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.91 2k0f h ALA 69 Cb 1.37 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 69 CO 0.05 0.59 0.73 0.50 0.00 0.00 0.00 179.25 181.12 2k0f s ARG 70 N -3.00 4.28 -0.24 0.00 3.52 -1.21 -5.01 118.95 117.28 2k0f s ARG 70 Ca 0.04 2.29 -0.03 0.00 -0.13 0.00 0.00 55.73 57.90 2k0f s ARG 70 Cb 0.08 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2k0f s ARG 70 CO 0.74 -0.38 -0.04 0.21 -0.81 0.00 0.00 175.30 175.02 2k0f s LYS 71 N -0.72 3.08 0.53 5.12 2.20 -1.26 -5.04 119.74 123.64 2k0f s LYS 71 Ca 0.57 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 2k0f s LYS 71 Cb -0.42 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2k0f s LYS 71 CO 0.46 -0.33 0.75 -1.64 -0.36 0.00 0.00 175.35 174.23 2k0f s MET 72 N 1.41 2.62 1.03 4.03 -1.94 -1.26 -5.06 119.30 120.13 2k0f s MET 72 Ca 0.03 -0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 53.10 2k0f s MET 72 Cb -0.16 -2.52 0.21 0.00 2.01 0.00 0.00 34.83 34.38 2k0f s MET 72 CO -0.03 -0.63 1.07 -1.59 -0.01 0.00 0.00 175.02 173.83 2k0f s LYS 73 N -4.71 0.14 0.45 2.03 -2.85 -1.26 -4.68 119.74 108.86 2k0f s LYS 73 Ca 0.56 0.70 0.15 0.00 -1.00 0.00 0.00 55.97 56.38 2k0f s LYS 73 Cb -0.10 -1.69 1.07 0.00 -2.06 0.00 0.00 37.83 35.05 2k0f s LYS 73 CO 0.38 -2.97 1.99 -0.44 0.10 0.00 0.00 175.35 174.41 2k0f h ASP 74 N -2.07 0.32 0.05 0.03 5.19 -1.98 -1.58 116.42 116.37 2k0f h ASP 74 Ca -0.56 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 55.61 2k0f h ASP 74 Cb 1.32 -0.06 0.02 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.54 0.19 -1.02 0.71 -3.12 0.00 0.00 179.24 176.55 2k0f h THR 75 N 0.35 1.32 -0.17 0.35 1.35 -1.98 -0.96 112.91 113.18 2k0f h THR 75 Ca 0.25 -2.30 -0.10 0.00 -0.55 0.00 0.00 66.41 63.71 2k0f h THR 75 Cb 0.54 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 2k0f h THR 75 CO -0.06 0.70 -0.33 0.44 -0.25 0.00 0.00 175.52 176.01 2k0f h ASP 76 N 0.21 0.35 -0.13 5.36 3.32 -1.91 -0.58 116.42 123.04 2k0f h ASP 76 Ca -0.14 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 76 Cb 1.70 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.16 2k0f h ASP 76 CO 0.20 0.67 -0.42 0.28 -1.72 0.00 0.00 179.24 178.24 2k0f h SER 77 N 0.29 0.61 0.01 6.45 0.02 -1.27 -0.17 113.55 119.49 2k0f h SER 77 Ca 0.04 -0.60 -0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2k0f h SER 77 Cb 0.73 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k0f h SER 77 CO 0.06 1.10 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.76 2k0f h GLU 78 N 0.14 -0.01 -0.88 3.45 4.57 -1.00 -0.77 114.58 120.09 2k0f h GLU 78 Ca -0.01 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.31 2k0f h GLU 78 Cb 1.05 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.55 2k0f h GLU 78 CO 0.09 0.24 0.47 1.49 -1.18 0.00 0.00 179.01 180.12 2k0f h GLU 79 N -0.26 0.66 -0.48 1.92 4.81 -1.14 -1.45 114.58 118.64 2k0f h GLU 79 Ca -0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 79 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2k0f h GLU 79 CO 0.00 0.43 0.17 1.49 -0.73 0.00 0.00 179.01 180.38 2k0f h GLU 80 N 0.68 0.73 0.05 1.92 4.81 -0.56 -0.17 114.58 122.02 2k0f h GLU 80 Ca 0.47 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 80 Cb 0.65 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 80 CO -0.35 0.67 -1.04 0.82 -0.73 0.00 0.00 179.01 178.38 2k0f h ILE 81 N 0.63 1.44 -0.65 2.32 1.08 -0.54 -2.37 117.51 119.42 2k0f h ILE 81 Ca 0.16 -2.65 -0.04 0.00 -0.39 0.00 0.00 64.86 61.93 2k0f h ILE 81 Cb 0.23 2.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.54 2k0f h ILE 81 CO -0.01 0.78 0.24 -0.09 -0.69 0.00 0.00 178.15 178.38 2k0f h ARG 82 N 0.17 0.97 0.00 2.37 2.43 -1.23 -2.19 114.38 116.90 2k0f h ARG 82 Ca -0.10 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2k0f h ARG 82 Cb 1.70 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 2k0f h ARG 82 CO 0.18 0.81 -0.25 0.93 -1.51 0.00 0.00 179.97 180.13 2k0f h GLU 83 N 0.95 0.00 -0.11 0.20 4.39 -1.02 -1.10 114.58 117.88 2k0f h GLU 83 Ca 0.22 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 83 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k0f h GLU 83 CO -0.02 0.25 -0.64 0.00 -1.16 0.00 0.00 179.01 177.44 2k0f h ALA 84 N 1.75 0.68 -0.16 3.43 0.00 -1.02 -3.25 119.26 120.70 2k0f h ALA 84 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 84 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k0f h ALA 84 CO 0.03 0.73 -0.14 0.35 0.00 0.00 0.00 179.25 180.22 2k0f h PHE 85 N 0.31 0.44 0.00 0.00 3.57 -1.11 -2.88 116.94 117.27 2k0f h PHE 85 Ca -0.01 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 85 Cb 1.18 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2k0f h PHE 85 CO 0.04 0.74 0.15 -0.09 -2.23 0.00 0.00 178.31 176.92 2k0f h ARG 86 N 0.01 0.00 0.20 1.11 2.43 -1.29 -2.39 114.38 114.46 2k0f h ARG 86 Ca 0.03 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.88 2k0f h ARG 86 Cb 0.66 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2k0f h ARG 86 CO 0.03 0.00 -1.46 0.28 -1.51 0.00 0.00 179.97 177.31 2k0f h VAL 87 N 0.00 1.28 -0.64 0.20 2.07 -1.54 -3.28 116.25 114.35 2k0f h VAL 87 Ca 0.00 -2.79 -0.01 0.00 0.82 0.00 0.00 66.70 64.72 2k0f h VAL 87 Cb 0.30 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 2k0f h VAL 87 CO 0.00 0.84 0.35 -0.26 0.02 0.00 0.00 177.57 178.52 2k0f h PHE 88 N 0.12 0.88 -3.64 1.57 0.04 -1.61 -3.40 116.94 110.88 2k0f h PHE 88 Ca -0.24 -0.02 -0.62 0.00 2.80 0.00 0.00 57.97 59.89 2k0f h PHE 88 Cb 2.10 -0.28 -0.12 0.00 2.20 0.00 0.00 35.95 39.85 2k0f h PHE 88 CO 0.10 0.63 0.45 0.34 -0.60 0.00 0.00 178.31 179.23 2k0f s ASP 89 N -5.96 6.45 0.03 2.17 2.15 -0.92 -4.75 116.67 115.83 2k0f s ASP 89 Ca -0.13 -0.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.65 2k0f s ASP 89 Cb 0.13 -2.41 -0.24 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 89 CO 0.78 -0.97 1.11 0.50 -0.17 0.00 0.00 175.17 176.42 2k0f h LYS 90 N 9.02 0.52 0.14 4.34 3.64 -1.80 -3.33 116.57 129.10 2k0f h LYS 90 Ca -0.24 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 58.55 2k0f h LYS 90 Cb 1.08 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2k0f h LYS 90 CO 0.99 1.21 -0.07 0.38 -2.27 0.00 0.00 179.45 179.69 2k0f h ASP 91 N 0.07 -0.16 0.00 4.20 3.04 -1.93 -3.49 116.42 118.15 2k0f h ASP 91 Ca -0.11 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2k0f h ASP 91 Cb 1.51 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.84 2k0f h ASP 91 CO 0.16 0.39 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 2k0f n GLY 92 N 1.14 0.97 0.95 7.15 0.00 -1.25 -5.02 105.19 109.12 2k0f n GLY 92 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 2.84 0.00 1.61 6.94 -1.26 -4.88 115.26 120.52 2k0f n ASN 93 Ca 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 2k0f n ASN 93 Cb 0.00 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 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 1.37 0.65 3.04 4.83 0.00 -1.26 -5.04 105.19 108.79 2k0f n GLY 94 Ca 0.18 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 1.85 -0.16 1.61 2.02 -1.26 -3.48 117.35 115.93 2k0f s TYR 95 Ca 0.00 -0.84 -0.17 0.00 -0.37 0.00 0.00 57.07 55.69 2k0f s TYR 95 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2k0f s TYR 95 CO 0.00 -0.44 0.43 0.42 -1.57 0.00 0.00 175.55 174.39 2k0f s ILE 96 N 0.97 5.20 0.30 2.71 1.01 -0.74 -4.78 121.20 125.87 2k0f s ILE 96 Ca -0.07 0.82 0.09 0.00 0.00 0.00 0.00 60.65 61.48 2k0f s ILE 96 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2k0f s ILE 96 CO -0.01 0.30 0.04 -0.94 0.00 0.00 0.00 174.94 174.33 2k0f s SER 97 N 0.77 4.54 0.40 3.58 1.04 -1.26 -1.34 113.70 121.43 2k0f s SER 97 Ca 0.22 -0.73 0.10 0.00 0.48 0.00 0.00 55.95 56.02 2k0f s SER 97 Cb -0.15 -0.77 0.81 0.00 0.10 0.00 0.00 66.02 66.02 2k0f s SER 97 CO 0.08 -0.12 1.93 0.00 0.98 0.00 0.00 173.24 176.11 2k0f h ALA 98 N 1.77 1.54 -0.12 5.32 0.00 -1.97 0.16 119.26 125.95 2k0f h ALA 98 Ca -0.44 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2k0f h ALA 98 Cb 1.25 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 98 CO 0.62 0.33 -0.40 0.00 0.00 0.00 0.00 179.25 179.80 2k0f h ALA 99 N 1.67 -0.56 -0.54 0.00 0.00 -1.96 -0.18 119.26 117.69 2k0f h ALA 99 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 99 Cb 0.35 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 99 CO 0.02 -0.90 0.23 0.93 0.00 0.00 0.00 179.25 179.53 2k0f h GLU 100 N -0.48 0.78 -0.18 0.00 5.08 -1.70 -2.70 114.58 115.37 2k0f h GLU 100 Ca 0.08 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 100 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 100 CO -0.39 0.63 -0.04 1.25 -1.00 0.00 0.00 179.01 179.46 2k0f h LEU 101 N 0.77 0.36 -0.80 1.33 5.85 -0.51 -1.20 115.31 121.12 2k0f h LEU 101 Ca 0.19 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 101 Cb 0.13 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 40.94 2k0f h LEU 101 CO -0.02 0.64 -0.48 0.03 -0.34 0.00 0.00 178.44 178.26 2k0f h ARG 102 N 0.07 -0.11 -0.50 1.25 3.08 -1.01 -1.86 114.38 115.30 2k0f h ARG 102 Ca 0.05 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2k0f h ARG 102 Cb 0.48 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2k0f h ARG 102 CO 0.02 -0.07 0.26 0.45 -1.07 0.00 0.00 179.97 179.56 2k0f h HIS 103 N -0.12 0.70 0.38 3.04 3.86 -1.21 0.13 115.15 121.93 2k0f h HIS 103 Ca 0.21 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2k0f h HIS 103 Cb 0.53 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2k0f h HIS 103 CO -0.85 0.53 -0.48 0.28 0.86 0.00 0.00 177.93 178.27 2k0f h VAL 104 N 0.66 0.06 0.00 2.45 2.07 -1.17 0.28 116.25 120.61 2k0f h VAL 104 Ca 0.17 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 104 Cb 0.07 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2k0f h VAL 104 CO -0.03 0.00 -0.36 0.24 0.02 0.00 0.00 177.57 177.45 2k0f h MET 105 N -0.89 0.00 -0.19 1.57 2.07 -0.91 0.22 114.93 116.79 2k0f h MET 105 Ca -0.04 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 105 Cb 0.81 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.51 2k0f h MET 105 CO -0.12 0.36 -0.01 1.15 1.07 0.00 0.00 176.91 179.35 2k0f h THR 106 N 0.00 0.85 -0.54 2.22 2.02 -0.74 -1.48 112.91 115.23 2k0f h THR 106 Ca -0.00 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 2k0f h THR 106 Cb 0.69 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2k0f h THR 106 CO 0.05 0.01 -0.05 0.78 0.37 0.00 0.00 175.52 176.68 2k0f h ASN 107 N 0.04 0.95 -0.24 4.18 4.21 0.28 -2.73 115.58 122.28 2k0f h ASN 107 Ca 0.09 -0.28 -0.04 0.00 1.21 0.00 0.00 56.30 57.28 2k0f h ASN 107 Cb 0.12 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2k0f h ASN 107 CO -0.17 1.03 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.92 2k0f h LEU 108 N 0.88 0.42 0.00 1.61 3.38 -1.40 -3.45 115.31 116.75 2k0f h LEU 108 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2k0f h LEU 108 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k0f h LEU 108 CO 0.03 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2k0f n GLY 109 N -0.28 1.66 3.63 0.83 0.00 -0.77 -5.05 105.19 105.21 2k0f n GLY 109 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.36 4.12 -1.14 1.61 0.41 -0.63 -5.00 118.70 117.71 2k0f s GLU 110 Ca 0.00 0.52 -0.05 0.00 -0.41 0.00 0.00 54.97 55.03 2k0f s GLU 110 Cb 0.00 -3.63 0.26 0.00 -1.78 0.00 0.00 34.13 28.98 2k0f s GLU 110 CO 0.00 -0.37 1.70 1.63 -0.49 0.00 0.00 175.26 177.74 2k0f n LYS 111 N 5.54 4.42 -2.36 1.61 4.76 -1.26 -4.52 118.16 126.34 2k0f n LYS 111 Ca -0.01 -4.23 -0.26 0.00 -2.87 0.00 0.00 58.31 50.94 2k0f n LYS 111 Cb 0.49 -2.62 0.04 0.00 -1.84 0.00 0.00 35.03 31.11 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2k0f s LEU 112 N -2.31 3.10 0.81 -0.35 2.34 -1.26 -5.13 118.68 115.87 2k0f s LEU 112 Ca 0.36 0.54 -0.11 0.00 0.06 0.00 0.00 54.13 54.98 2k0f s LEU 112 Cb 0.09 -3.31 0.10 0.00 -0.56 0.00 0.00 46.19 42.51 2k0f s LEU 112 CO 0.04 -1.25 1.16 0.42 -1.06 0.00 0.00 176.35 175.65 2k0f s THR 113 N -3.05 2.07 -0.09 5.48 -4.23 -1.26 -4.97 115.64 109.58 2k0f s THR 113 Ca 0.56 -0.08 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 2k0f s THR 113 Cb -0.11 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2k0f s THR 113 CO 0.44 0.00 1.41 -0.78 -0.54 0.00 0.00 174.62 175.15 2k0f h ASP 114 N -1.04 0.00 -0.21 3.99 3.58 -2.00 -2.94 116.42 117.80 2k0f h ASP 114 Ca -0.45 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2k0f h ASP 114 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2k0f h ASP 114 CO 0.59 0.61 0.01 -0.33 -2.88 0.00 0.00 179.24 177.24 2k0f h GLU 115 N 0.00 0.36 -0.79 0.28 3.07 -2.00 -3.12 114.58 112.40 2k0f h GLU 115 Ca -0.01 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 115 Cb 1.46 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.29 2k0f h GLU 115 CO 0.08 0.55 0.49 1.49 -1.40 0.00 0.00 179.01 180.21 2k0f h GLU 116 N 0.14 0.90 -0.84 2.33 4.57 -1.94 -1.22 114.58 118.52 2k0f h GLU 116 Ca 0.06 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2k0f h GLU 116 Cb 0.37 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2k0f h GLU 116 CO 0.01 0.59 0.53 0.28 -1.18 0.00 0.00 179.01 179.24 2k0f h VAL 117 N 0.92 1.09 -0.19 0.32 2.07 -1.53 -2.63 116.25 116.31 2k0f h VAL 117 Ca 0.33 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 2k0f h VAL 117 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2k0f h VAL 117 CO -0.14 0.18 -0.61 0.44 0.02 0.00 0.00 177.57 177.46 2k0f h ASP 118 N 1.00 0.72 -0.88 0.57 3.32 -1.37 -2.62 116.42 117.16 2k0f h ASP 118 Ca 0.35 -0.41 0.13 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 118 Cb 0.08 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 2k0f h ASP 118 CO -0.14 1.16 0.57 -0.33 -1.72 0.00 0.00 179.24 178.78 2k0f h GLU 119 N 0.47 0.69 0.00 3.56 4.39 -0.95 -1.56 114.58 121.18 2k0f h GLU 119 Ca -0.01 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 119 Cb 1.19 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2k0f h GLU 119 CO 0.12 0.45 -0.53 0.52 -1.16 0.00 0.00 179.01 178.41 2k0f h MET 120 N 0.71 0.00 -0.29 2.33 2.86 -1.12 -2.57 114.93 116.85 2k0f h MET 120 Ca 0.44 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.03 2k0f h MET 120 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 120 CO -0.20 0.53 -0.01 0.82 1.06 0.00 0.00 176.91 179.11 2k0f h ILE 121 N 0.00 1.26 -0.11 -1.22 1.08 -1.19 -2.80 117.51 114.53 2k0f h ILE 121 Ca -0.01 -0.96 -0.03 0.00 -0.39 0.00 0.00 64.86 63.47 2k0f h ILE 121 Cb 0.98 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 2k0f h ILE 121 CO 0.07 0.31 -0.07 0.03 -0.69 0.00 0.00 178.15 177.80 2k0f h ARG 122 N 0.30 0.15 -0.23 2.37 3.08 -1.31 0.42 114.38 119.16 2k0f h ARG 122 Ca 0.08 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2k0f h ARG 122 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 122 CO 0.02 0.23 -0.51 1.49 -1.07 0.00 0.00 179.97 180.13 2k0f h GLU 123 N 0.15 0.65 0.02 0.04 4.81 -1.43 -3.35 114.58 115.48 2k0f h GLU 123 Ca 0.03 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 123 Cb 0.22 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 123 CO 0.01 1.01 -0.56 0.00 -0.73 0.00 0.00 179.01 178.74 2k0f h ALA 124 N 0.92 0.08 -2.15 2.92 0.00 -1.19 -3.45 119.26 116.40 2k0f h ALA 124 Ca 0.02 -0.77 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 2k0f h ALA 124 Cb 1.06 0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2k0f h ALA 124 CO 0.10 0.31 1.31 -3.47 0.00 0.00 0.00 179.25 177.50 2k0f n ASP 125 N -4.45 3.73 -0.09 0.00 2.03 0.10 -4.64 116.55 113.23 2k0f n ASP 125 Ca -0.18 0.67 -0.13 0.00 0.52 0.00 0.00 54.79 55.68 2k0f n ASP 125 Cb 0.61 -1.51 -0.14 0.00 -0.72 0.00 0.00 41.12 39.35 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 6.25 1.49 0.00 5.18 5.41 -1.26 -4.77 119.36 131.66 2k0f n ILE 126 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2k0f n ILE 126 Cb 0.40 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -2.99 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 117.33 2k0f n ASP 127 Ca -0.34 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 2k0f n ASP 127 Cb 1.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.29 0.00 0.08 6.12 0.00 -1.26 -5.01 105.19 107.41 2k0f n GLY 128 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.17 1.61 2.03 -1.96 -3.47 116.42 114.46 2k0f h ASP 129 Ca 0.00 -0.14 -0.04 0.00 -0.73 0.00 0.00 57.03 56.12 2k0f h ASP 129 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2k0f h ASP 129 CO 0.00 0.07 -0.04 0.61 -1.03 0.00 0.00 179.24 178.85 2k0f n GLY 130 N 1.32 0.42 2.77 7.15 0.00 -1.26 -5.03 105.19 110.55 2k0f n GLY 130 Ca 0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.06 0.10 -0.41 1.61 -0.21 -1.26 -4.45 119.66 111.97 2k0f s GLN 131 Ca 0.00 0.19 -0.19 0.00 0.02 0.00 0.00 55.36 55.38 2k0f s GLN 131 Cb 0.00 -0.42 0.02 0.00 1.00 0.00 0.00 33.01 33.61 2k0f s GLN 131 CO 0.00 -0.20 0.54 0.08 -2.12 0.00 0.00 175.29 173.59 2k0f s VAL 132 N 1.33 4.96 0.94 1.09 1.01 -0.45 -4.80 120.40 124.49 2k0f s VAL 132 Ca -0.06 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 2k0f s VAL 132 Cb -0.13 -4.08 0.17 0.00 0.00 0.00 0.00 36.38 32.34 2k0f s VAL 132 CO -0.03 -0.44 1.26 0.54 0.00 0.00 0.00 175.10 176.44 2k0f s ASN 133 N 1.87 3.29 0.20 3.32 2.20 -1.26 -1.80 114.94 122.76 2k0f s ASN 133 Ca 0.18 0.46 -0.11 0.00 -0.94 0.00 0.00 52.86 52.46 2k0f s ASN 133 Cb -0.15 -0.66 0.14 0.00 -2.00 0.00 0.00 41.25 38.57 2k0f s ASN 133 CO 0.16 -2.64 1.86 0.22 -2.94 0.00 0.00 177.10 173.76 2k0f h TYR 134 N -1.57 0.92 0.06 1.54 3.20 -1.97 -1.22 116.97 117.92 2k0f h TYR 134 Ca -0.45 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 2k0f h TYR 134 Cb 1.27 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2k0f h TYR 134 CO -0.79 0.59 -0.03 0.93 -1.64 0.00 0.00 178.16 177.22 2k0f h GLU 135 N 0.98 -0.07 -1.02 1.82 5.08 -1.93 -1.21 114.58 118.22 2k0f h GLU 135 Ca 0.26 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.91 2k0f h GLU 135 Cb -0.09 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2k0f h GLU 135 CO -0.05 0.18 0.71 0.93 -1.00 0.00 0.00 179.01 179.78 2k0f h GLU 136 N -0.33 0.13 0.00 2.33 5.08 -1.83 -1.26 114.58 118.71 2k0f h GLU 136 Ca -0.01 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 136 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 136 CO 0.01 0.09 -0.85 0.35 -1.00 0.00 0.00 179.01 177.61 2k0f h PHE 137 N 0.13 0.00 0.09 4.33 3.57 -0.48 -3.30 116.94 121.29 2k0f h PHE 137 Ca 0.51 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 2k0f h PHE 137 Cb 1.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.52 2k0f h PHE 137 CO -0.00 0.72 -0.04 0.28 -2.23 0.00 0.00 178.31 177.04 2k0f h VAL 138 N 0.00 0.97 0.00 1.41 2.07 -0.12 -3.27 116.25 117.30 2k0f h VAL 138 Ca -0.04 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 138 Cb 1.58 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2k0f h VAL 138 CO 0.09 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.96 2k0f n GLN 139 N -4.82 0.04 -0.14 1.57 6.02 -0.75 -1.28 117.38 118.02 2k0f n GLN 139 Ca -0.07 0.51 -0.11 0.00 -0.01 0.00 0.00 57.00 57.32 2k0f n GLN 139 Cb 0.27 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 2k0f n GLN 139 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2k0f h MET 140 N 0.00 0.81 0.11 -1.09 4.05 -1.64 -3.38 114.93 113.80 2k0f h MET 140 Ca 0.00 -0.33 -0.35 0.00 -0.28 0.00 0.00 59.70 58.74 2k0f h MET 140 Cb 0.04 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2k0f h MET 140 CO 0.00 0.95 -1.92 0.52 0.23 0.00 0.00 176.91 176.69 2k0f h MET 141 N 0.63 0.23 0.00 0.39 2.86 -1.25 -3.52 114.93 114.26 2k0f h MET 141 Ca 0.10 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2k0f h MET 141 Cb 0.68 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2k0f h MET 141 CO 0.05 1.11 0.00 0.25 1.06 0.00 0.00 176.91 179.37