#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 -0.11 -0.64 -2.82 3.07 -2.05 -1.44 114.58 110.58 2k0f h GLU 2 Ca 0.00 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.96 2k0f h GLU 2 Cb 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2k0f h GLU 2 CO 0.00 -0.07 0.43 1.49 -1.40 0.00 0.00 179.01 179.45 2k0f h GLU 3 N -0.12 0.50 0.12 2.33 4.81 -2.06 -1.04 114.58 119.12 2k0f h GLU 3 Ca 0.22 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 3 Cb 0.46 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 3 CO -0.54 0.33 -1.24 1.96 -0.73 0.00 0.00 179.01 178.80 2k0f h GLN 4 N 0.52 0.60 -0.29 1.92 4.20 -1.73 -2.37 115.11 117.95 2k0f h GLN 4 Ca 0.29 -0.80 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 2k0f h GLN 4 Cb 0.46 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2k0f h GLN 4 CO -0.09 1.36 0.05 0.82 -0.67 0.00 0.00 178.83 180.30 2k0f h ILE 5 N 0.26 1.15 -0.30 2.54 2.04 -1.11 -2.47 117.51 119.62 2k0f h ILE 5 Ca -0.18 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2k0f h ILE 5 Cb 1.91 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2k0f h ILE 5 CO 0.23 0.19 -0.25 0.00 0.00 0.00 0.00 178.15 178.33 2k0f h ALA 6 N 1.65 1.00 0.00 1.87 0.00 -0.95 0.49 119.26 123.33 2k0f h ALA 6 Ca 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 6 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 6 CO -0.00 0.59 -0.17 1.49 0.00 0.00 0.00 179.25 181.16 2k0f h GLU 7 N 0.52 0.00 0.05 0.00 4.81 -0.97 0.24 114.58 119.23 2k0f h GLU 7 Ca 0.07 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 7 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 7 CO 0.05 0.17 -0.97 0.74 -0.73 0.00 0.00 179.01 178.28 2k0f h PHE 8 N 0.00 0.18 -0.11 0.92 -1.00 -1.22 -3.33 116.94 112.38 2k0f h PHE 8 Ca -0.00 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.66 2k0f h PHE 8 Cb 0.51 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2k0f h PHE 8 CO 0.00 1.38 -0.17 -0.22 -1.61 0.00 0.00 178.31 177.69 2k0f h LYS 9 N -0.72 -0.13 0.00 1.51 3.64 -0.69 -1.79 116.57 118.39 2k0f h LYS 9 Ca -0.23 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2k0f h LYS 9 Cb 1.40 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2k0f h LYS 9 CO -0.04 -0.09 -0.14 0.93 -2.27 0.00 0.00 179.45 177.84 2k0f h GLU 10 N -0.13 0.00 -0.10 1.90 4.39 -0.75 -1.39 114.58 118.51 2k0f h GLU 10 Ca 0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 10 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k0f h GLU 10 CO -0.17 0.14 -0.37 0.00 -1.16 0.00 0.00 179.01 177.45 2k0f h ALA 11 N 1.86 0.18 -0.84 3.43 0.00 -1.66 -3.21 119.26 119.01 2k0f h ALA 11 Ca -0.00 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 11 Cb 0.39 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 11 CO 0.02 0.26 0.36 0.35 0.00 0.00 0.00 179.25 180.23 2k0f h PHE 12 N -0.02 0.60 0.00 0.00 3.57 -0.33 0.86 116.94 121.62 2k0f h PHE 12 Ca -0.02 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 12 Cb 1.00 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 12 CO 0.12 0.02 -0.11 0.77 -2.23 0.00 0.00 178.31 176.88 2k0f h SER 13 N 0.44 0.00 0.00 0.41 0.02 -1.51 -3.17 113.55 109.75 2k0f h SER 13 Ca 0.49 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.29 2k0f h SER 13 Cb 0.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2k0f h SER 13 CO -0.46 0.11 -1.10 -0.11 -1.14 0.00 0.00 176.83 174.12 2k0f n LEU 14 N -3.31 1.86 -0.03 5.07 7.94 -0.65 -4.81 117.00 123.07 2k0f n LEU 14 Ca -0.00 0.49 -0.13 0.00 -1.11 0.00 0.00 56.01 55.25 2k0f n LEU 14 Cb 0.32 -0.89 -0.01 0.00 0.53 0.00 0.00 43.42 43.38 2k0f n LEU 14 CO 0.30 -0.04 0.41 0.15 -1.11 0.00 0.00 177.39 177.10 2k0f h PHE 15 N -1.00 0.90 -3.18 1.96 3.57 -0.91 -3.40 116.94 114.88 2k0f h PHE 15 Ca -0.22 -0.34 -0.59 0.00 3.53 0.00 0.00 57.97 60.34 2k0f h PHE 15 Cb 1.00 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 2k0f h PHE 15 CO -0.10 1.13 -0.19 0.34 -2.23 0.00 0.00 178.31 177.26 2k0f s ASP 16 N -6.97 6.71 0.16 0.41 -1.08 -1.20 -4.92 116.67 109.79 2k0f s ASP 16 Ca -0.09 0.85 -0.00 0.00 -0.52 0.00 0.00 52.55 52.79 2k0f s ASP 16 Cb 0.10 -2.26 -0.00 0.00 -1.46 0.00 0.00 42.92 39.30 2k0f s ASP 16 CO 0.87 0.17 1.38 0.11 0.52 0.00 0.00 175.17 178.22 2k0f h LYS 17 N 5.75 0.30 0.00 4.34 1.57 -1.88 -3.34 116.57 123.31 2k0f h LYS 17 Ca -0.46 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.00 2k0f h LYS 17 Cb 1.20 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2k0f h LYS 17 CO 0.69 0.99 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.99 2k0f h ASP 18 N 0.18 0.00 -0.27 0.86 3.32 -1.93 -3.49 116.42 115.08 2k0f h ASP 18 Ca -0.05 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.25 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 0.14 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 2k0f n GLY 19 N 1.62 0.76 0.14 2.75 0.00 -1.25 -5.05 105.19 104.15 2k0f n GLY 19 Ca -0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 1.51 1.97 0.00 1.61 5.75 -1.26 -5.03 116.55 121.10 2k0f n ASP 20 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2k0f n ASP 20 Cb 0.41 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.58 1.00 3.51 6.12 0.00 -1.26 -5.07 105.19 111.07 2k0f n GLY 21 Ca -0.51 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 3.59 -0.33 2.61 -4.23 -1.26 -1.31 115.64 114.71 2k0f s THR 22 Ca 0.00 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 2k0f s THR 22 Cb 0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.36 2k0f s THR 22 CO 0.00 0.55 0.12 -0.63 -0.54 0.00 0.00 174.62 174.12 2k0f s ILE 23 N -0.25 4.09 0.34 2.99 1.01 -0.43 -4.99 121.20 123.96 2k0f s ILE 23 Ca 0.03 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2k0f s ILE 23 Cb -0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 2k0f s ILE 23 CO 0.03 -0.07 0.43 0.42 0.00 0.00 0.00 174.94 175.75 2k0f s THR 24 N 1.49 3.86 0.24 2.92 -4.23 -1.26 -2.97 115.64 115.68 2k0f s THR 24 Ca 0.01 -1.09 0.24 0.00 -1.18 0.00 0.00 61.69 59.67 2k0f s THR 24 Cb -0.18 -3.33 0.23 0.00 1.34 0.00 0.00 72.50 70.56 2k0f s THR 24 CO 0.04 -0.15 1.89 0.71 -0.54 0.00 0.00 174.62 176.57 2k0f h THR 25 N 0.96 0.63 -0.52 3.99 1.35 -1.96 -2.38 112.91 114.98 2k0f h THR 25 Ca -0.45 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.39 2k0f h THR 25 Cb 1.26 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 2k0f h THR 25 CO 0.54 0.22 0.25 0.07 -0.25 0.00 0.00 175.52 176.34 2k0f h LYS 26 N 0.00 0.75 -0.74 4.72 2.10 -1.97 0.05 116.57 121.49 2k0f h LYS 26 Ca -0.00 -0.11 -0.05 0.00 -2.00 0.00 0.00 60.65 58.49 2k0f h LYS 26 Cb 0.64 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 2k0f h LYS 26 CO 0.03 0.63 0.27 0.93 -2.00 0.00 0.00 179.45 179.31 2k0f h GLU 27 N 0.70 1.11 0.00 0.07 5.08 -1.83 -0.01 114.58 119.70 2k0f h GLU 27 Ca 0.18 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 27 Cb 0.13 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 27 CO -0.02 0.92 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.83 2k0f h LEU 28 N 1.08 -0.00 -0.68 1.33 3.38 -1.46 -3.02 115.31 115.93 2k0f h LEU 28 Ca 0.24 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.43 2k0f h LEU 28 Cb 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 2k0f h LEU 28 CO -0.02 0.93 0.25 1.23 0.09 0.00 0.00 178.44 180.92 2k0f h GLY 29 N -0.96 0.97 0.93 0.83 0.00 -0.95 0.59 103.07 104.49 2k0f h GLY 29 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2k0f h GLY 29 CO 0.00 -0.06 0.44 -0.84 0.00 0.00 0.00 176.54 176.08 2k0f h THR 30 N 0.41 1.13 -0.01 4.70 2.02 -1.07 -0.87 112.91 119.21 2k0f h THR 30 Ca 0.36 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2k0f h THR 30 Cb 0.50 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2k0f h THR 30 CO -0.36 0.16 -0.05 0.58 0.37 0.00 0.00 175.52 176.22 2k0f h VAL 31 N 0.88 1.50 -0.58 3.16 2.07 -1.24 -0.91 116.25 121.12 2k0f h VAL 31 Ca 0.27 -1.54 0.11 0.00 0.82 0.00 0.00 66.70 66.36 2k0f h VAL 31 Cb -0.04 2.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 2k0f h VAL 31 CO -0.08 0.41 0.07 0.24 0.02 0.00 0.00 177.57 178.22 2k0f h MET 32 N -0.57 0.19 -0.53 1.57 2.86 -0.80 0.13 114.93 117.78 2k0f h MET 32 Ca -0.00 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 32 Cb 0.69 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 2k0f h MET 32 CO 0.01 0.12 -0.10 -0.09 1.06 0.00 0.00 176.91 177.91 2k0f h ARG 33 N 0.19 1.01 -0.58 1.72 2.43 -1.16 -1.41 114.38 116.58 2k0f h ARG 33 Ca 0.30 -0.37 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 33 Cb 0.47 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 2k0f h ARG 33 CO -0.44 1.05 0.22 0.77 -1.51 0.00 0.00 179.97 180.06 2k0f h SER 34 N 0.88 0.22 0.40 -3.80 0.02 -0.94 -3.29 113.55 107.04 2k0f h SER 34 Ca 0.14 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2k0f h SER 34 Cb 0.66 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2k0f h SER 34 CO 0.05 0.14 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.61 2k0f h LEU 35 N 0.40 -0.45 0.00 5.07 3.38 -0.69 -3.46 115.31 119.56 2k0f h LEU 35 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2k0f h LEU 35 Cb 0.34 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k0f h LEU 35 CO -0.29 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 178.74 2k0f n GLY 36 N 0.20 -1.91 3.37 0.83 0.00 -0.98 -5.11 105.19 101.59 2k0f n GLY 36 Ca -0.07 0.90 -0.15 0.00 0.00 0.00 0.00 46.02 46.71 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 1.64 -0.48 1.61 -0.21 -0.57 -4.96 119.66 116.69 2k0f s GLN 37 Ca 0.00 -1.74 0.04 0.00 0.02 0.00 0.00 55.36 53.68 2k0f s GLN 37 Cb 0.00 0.37 0.12 0.00 1.00 0.00 0.00 33.01 34.50 2k0f s GLN 37 CO 0.00 -0.63 0.21 -0.80 -2.12 0.00 0.00 175.29 171.95 2k0f s ASN 38 N -3.23 4.42 0.38 5.90 0.01 -1.26 -4.05 114.94 117.10 2k0f s ASN 38 Ca 0.35 -2.82 -0.25 0.00 -0.71 0.00 0.00 52.86 49.44 2k0f s ASN 38 Cb 0.02 -1.64 -0.09 0.00 0.41 0.00 0.00 41.25 39.95 2k0f s ASN 38 CO 0.19 -0.27 1.03 -2.16 -1.51 0.00 0.00 177.10 174.38 2k0f s PRO 39 N -0.01 4.28 -0.12 -0.60 0.04 -1.26 -5.04 135.00 132.28 2k0f s PRO 39 Ca 0.16 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2k0f s PRO 39 Cb -0.24 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2k0f s PRO 39 CO -0.02 -0.03 -0.23 0.99 0.04 0.00 0.00 177.00 177.75 2k0f s THR 40 N -1.64 2.09 0.19 1.26 2.01 -1.26 -5.06 115.64 113.23 2k0f s THR 40 Ca 0.56 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2k0f s THR 40 Cb -0.21 -1.82 0.08 0.00 0.01 0.00 0.00 72.50 70.56 2k0f s THR 40 CO 0.27 0.55 1.67 -0.08 -0.69 0.00 0.00 174.62 176.35 2k0f h GLU 41 N 7.01 1.09 -0.60 4.92 4.81 -1.99 -2.83 114.58 127.00 2k0f h GLU 41 Ca -0.26 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 58.74 2k0f h GLU 41 Cb 1.21 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 2k0f h GLU 41 CO 0.51 1.03 -0.25 0.00 -0.73 0.00 0.00 179.01 179.57 2k0f n ALA 42 N -2.48 -0.12 0.09 2.92 0.00 -1.26 -1.20 120.51 118.47 2k0f n ALA 42 Ca 0.04 0.59 0.02 0.00 0.00 0.00 0.00 53.44 54.08 2k0f n ALA 42 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 2k0f n ALA 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k0f h GLU 43 N 0.00 0.00 0.02 0.00 4.11 -1.94 -3.19 114.58 113.59 2k0f h GLU 43 Ca 0.19 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.41 2k0f h GLU 43 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 43 CO -0.59 0.39 -0.96 1.25 0.07 0.00 0.00 179.01 179.16 2k0f h LEU 44 N 0.00 0.21 -0.44 3.06 5.85 -1.05 -1.79 115.31 121.14 2k0f h LEU 44 Ca -0.07 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 44 Cb 1.46 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 2k0f h LEU 44 CO 0.05 1.05 -0.05 0.06 -0.34 0.00 0.00 178.44 179.21 2k0f h GLN 45 N 0.07 0.00 -0.03 1.25 3.07 -1.22 -2.93 115.11 115.32 2k0f h GLN 45 Ca -0.05 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.48 2k0f h GLN 45 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.20 2k0f h GLN 45 CO 0.14 0.05 -0.86 0.22 0.09 0.00 0.00 178.83 178.47 2k0f h ASP 46 N 0.00 0.49 -0.51 0.06 1.82 -1.38 -0.69 116.42 116.20 2k0f h ASP 46 Ca -0.00 -0.36 0.05 0.00 -0.39 0.00 0.00 57.03 56.32 2k0f h ASP 46 Cb 0.89 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 2k0f h ASP 46 CO 0.01 1.14 0.26 0.24 -1.61 0.00 0.00 179.24 179.28 2k0f h MET 47 N 0.23 0.49 -0.35 0.28 2.86 -1.16 -2.59 114.93 114.69 2k0f h MET 47 Ca -0.06 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 47 Cb 1.47 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 2k0f h MET 47 CO 0.15 0.33 -0.09 0.82 1.06 0.00 0.00 176.91 179.17 2k0f h ILE 48 N 0.51 1.23 -0.51 -1.22 2.04 -1.44 -3.02 117.51 115.09 2k0f h ILE 48 Ca 0.23 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 65.18 2k0f h ILE 48 Cb 0.14 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2k0f h ILE 48 CO -0.16 0.34 0.35 -1.13 0.00 0.00 0.00 178.15 177.56 2k0f h ASN 49 N 0.55 0.18 0.00 1.72 -1.24 -0.72 0.19 115.58 116.26 2k0f h ASN 49 Ca 0.10 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.15 2k0f h ASN 49 Cb 0.49 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.46 2k0f h ASN 49 CO 0.03 0.10 -0.34 -0.08 -1.29 0.00 0.00 177.43 175.86 2k0f h GLU 50 N 0.20 -0.47 -0.01 6.67 4.81 -1.44 -2.90 114.58 121.44 2k0f h GLU 50 Ca 0.24 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 50 Cb 0.69 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2k0f h GLU 50 CO -0.04 -0.32 -0.31 1.33 -0.73 0.00 0.00 179.01 178.95 2k0f n VAL 51 N -5.42 0.00 -2.49 0.32 0.24 -0.71 -4.82 118.33 105.45 2k0f n VAL 51 Ca -0.05 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 2k0f n VAL 51 Cb 0.33 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.54 6.13 0.00 -1.34 2.15 0.57 -4.85 116.67 116.80 2k0f s ASP 52 Ca 0.23 -0.62 -0.25 0.00 0.43 0.00 0.00 52.55 52.33 2k0f s ASP 52 Cb 0.19 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 52 CO 0.54 -1.84 1.34 0.00 -0.17 0.00 0.00 175.17 175.05 2k0f h ALA 53 N 10.44 -0.08 -0.02 3.66 0.00 -1.87 -3.34 119.26 128.04 2k0f h ALA 53 Ca -0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 53 Cb 1.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 53 CO 1.31 -0.36 -0.78 0.38 0.00 0.00 0.00 179.25 179.80 2k0f h ASP 54 N -0.46 0.26 0.00 0.00 3.04 -1.93 -3.48 116.42 113.85 2k0f h ASP 54 Ca -0.01 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2k0f h ASP 54 Cb 0.40 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 2k0f h ASP 54 CO 0.01 0.94 0.00 0.61 -2.04 0.00 0.00 179.24 178.76 2k0f n GLY 55 N 0.66 0.78 0.00 7.15 0.00 -1.26 -4.97 105.19 107.56 2k0f n GLY 55 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.00 0.00 1.61 0.23 -1.26 -4.87 115.26 110.97 2k0f n ASN 56 Ca 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.66 2k0f n ASN 56 Cb 0.00 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 0.72 1.37 3.48 4.83 0.00 -1.26 -5.11 105.19 109.22 2k0f n GLY 57 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 2.59 -0.37 2.61 -4.23 -1.26 -4.77 115.64 108.87 2k0f s THR 58 Ca 0.00 -2.23 -0.17 0.00 -1.18 0.00 0.00 61.69 58.12 2k0f s THR 58 Cb 0.00 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2k0f s THR 58 CO 0.00 -0.31 0.44 -0.51 -0.54 0.00 0.00 174.62 173.70 2k0f s ILE 59 N -2.25 5.08 0.71 2.99 2.07 -1.16 -4.77 121.20 123.88 2k0f s ILE 59 Ca 0.28 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.48 2k0f s ILE 59 Cb -0.06 -3.94 0.07 0.00 0.13 0.00 0.00 42.46 38.66 2k0f s ILE 59 CO 0.14 -0.25 1.01 -1.81 -1.91 0.00 0.00 174.94 172.13 2k0f s ASP 60 N 1.78 4.70 0.05 4.50 1.11 -1.26 -1.31 116.67 126.23 2k0f s ASP 60 Ca 0.14 0.33 -0.25 0.00 0.18 0.00 0.00 52.55 52.95 2k0f s ASP 60 Cb -0.16 -0.93 -0.17 0.00 1.07 0.00 0.00 42.92 42.72 2k0f s ASP 60 CO 0.13 -1.66 1.55 0.15 1.18 0.00 0.00 175.17 176.52 2k0f h PHE 61 N -0.60 -0.15 0.00 4.23 3.57 -1.60 0.33 116.94 122.71 2k0f h PHE 61 Ca -0.43 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 60.95 2k0f h PHE 61 Cb 1.30 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 2k0f h PHE 61 CO 0.19 0.05 -0.52 -1.00 -2.23 0.00 0.00 178.31 174.80 2k0f h PRO 62 N -0.32 0.00 -0.35 6.41 0.13 -1.96 -1.11 132.00 134.80 2k0f h PRO 62 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 2k0f h PRO 62 Cb 0.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2k0f h PRO 62 CO 0.03 0.52 -0.20 0.93 -0.23 0.00 0.00 178.00 179.05 2k0f h GLU 63 N 0.00 0.66 -0.51 0.86 5.08 -1.79 0.70 114.58 119.58 2k0f h GLU 63 Ca -0.01 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 63 Cb 0.95 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 63 CO 0.07 0.81 0.06 0.35 -1.00 0.00 0.00 179.01 179.30 2k0f h PHE 64 N 0.59 0.86 -0.38 4.33 3.57 0.25 -1.67 116.94 124.49 2k0f h PHE 64 Ca 0.09 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 64 Cb 0.66 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 64 CO 0.03 0.76 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.58 2k0f h LEU 65 N 0.77 0.75 0.08 0.59 3.38 -0.42 -3.02 115.31 117.45 2k0f h LEU 65 Ca 0.16 -0.27 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 2k0f h LEU 65 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k0f h LEU 65 CO 0.01 0.95 -1.20 0.74 0.09 0.00 0.00 178.44 179.03 2k0f h THR 66 N 0.65 1.52 -0.24 0.22 2.02 -0.83 -2.08 112.91 114.16 2k0f h THR 66 Ca 0.09 -3.15 0.06 0.00 0.77 0.00 0.00 66.41 64.18 2k0f h THR 66 Cb 0.72 2.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.93 2k0f h THR 66 CO 0.06 0.90 -0.28 -0.03 0.37 0.00 0.00 175.52 176.54 2k0f h MET 67 N 0.05 -0.28 -0.61 6.66 1.85 -1.23 -2.47 114.93 118.89 2k0f h MET 67 Ca -0.11 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2k0f h MET 67 Cb 1.91 0.06 0.00 0.00 0.43 0.00 0.00 31.60 34.00 2k0f h MET 67 CO 0.17 -0.19 0.00 -1.33 -0.40 0.00 0.00 176.91 175.16 2k0f n MET 68 N -5.40 2.77 0.12 0.39 2.81 -1.15 -3.81 117.12 112.85 2k0f n MET 68 Ca -0.01 -2.23 -0.22 0.00 -1.81 0.00 0.00 57.70 53.43 2k0f n MET 68 Cb 0.31 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.07 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f h ALA 69 N 3.98 -0.05 -2.71 3.04 0.00 -0.92 -3.46 119.26 119.15 2k0f h ALA 69 Ca 0.00 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.56 2k0f h ALA 69 Cb 1.00 0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 69 CO 0.09 0.73 0.85 0.50 0.00 0.00 0.00 179.25 181.42 2k0f s ARG 70 N -2.80 4.20 0.41 0.00 3.52 -1.07 -5.04 118.95 118.17 2k0f s ARG 70 Ca -0.08 2.43 0.08 0.00 -0.13 0.00 0.00 55.73 58.02 2k0f s ARG 70 Cb 0.05 -3.09 -0.00 0.00 -1.56 0.00 0.00 34.95 30.34 2k0f s ARG 70 CO 0.93 -0.57 0.49 0.15 -0.81 0.00 0.00 175.30 175.50 2k0f s LYS 71 N 0.18 2.74 0.28 5.12 1.02 -1.26 -5.02 119.74 122.80 2k0f s LYS 71 Ca 0.65 -1.33 0.12 0.00 0.02 0.00 0.00 55.97 55.43 2k0f s LYS 71 Cb -0.45 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2k0f s LYS 71 CO 0.40 -0.21 -0.17 -1.64 -0.92 0.00 0.00 175.35 172.81 2k0f s MET 72 N -4.25 1.75 0.67 1.68 -1.94 -1.26 -5.11 119.30 110.85 2k0f s MET 72 Ca 0.51 -1.74 -0.15 0.00 -1.71 0.00 0.00 55.69 52.61 2k0f s MET 72 Cb -0.08 -1.81 0.01 0.00 2.01 0.00 0.00 34.83 34.96 2k0f s MET 72 CO 0.31 0.32 1.12 -1.59 -0.01 0.00 0.00 175.02 175.17 2k0f s LYS 73 N -3.53 2.69 0.22 2.03 -2.85 -1.26 -4.45 119.74 112.59 2k0f s LYS 73 Ca 0.30 1.44 -0.14 0.00 -1.00 0.00 0.00 55.97 56.57 2k0f s LYS 73 Cb -0.05 -1.93 0.26 0.00 -2.06 0.00 0.00 37.83 34.05 2k0f s LYS 73 CO 0.16 -1.35 1.61 -0.44 0.10 0.00 0.00 175.35 175.43 2k0f h ASP 74 N -0.05 -0.75 -0.23 0.03 5.19 -1.99 0.15 116.42 118.78 2k0f h ASP 74 Ca -0.47 0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.21 2k0f h ASP 74 Cb 1.25 0.46 -0.05 0.00 0.18 0.00 0.00 39.33 41.18 2k0f h ASP 74 CO 0.53 -0.25 -0.07 0.71 -3.12 0.00 0.00 179.24 177.04 2k0f h THR 75 N -0.03 0.74 -0.34 0.35 1.35 -2.00 -0.60 112.91 112.37 2k0f h THR 75 Ca 0.32 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 66.03 2k0f h THR 75 Cb 0.53 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2k0f h THR 75 CO -0.72 0.00 -0.40 0.44 -0.25 0.00 0.00 175.52 174.58 2k0f h ASP 76 N -0.02 0.91 -0.66 5.36 5.19 -1.44 -3.09 116.42 122.66 2k0f h ASP 76 Ca 0.11 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2k0f h ASP 76 Cb 0.19 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2k0f h ASP 76 CO -0.25 1.19 0.38 -1.28 -3.12 0.00 0.00 179.24 176.16 2k0f h SER 77 N 0.69 0.83 0.00 6.45 0.87 -0.45 -1.23 113.55 120.70 2k0f h SER 77 Ca 0.05 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2k0f h SER 77 Cb 0.98 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2k0f h SER 77 CO 0.09 0.66 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.79 2k0f h GLU 78 N 0.94 0.00 0.00 2.24 4.81 -1.20 -3.36 114.58 118.01 2k0f h GLU 78 Ca 0.24 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2k0f h GLU 78 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 78 CO -0.04 0.96 -0.10 0.93 -0.73 0.00 0.00 179.01 180.04 2k0f h GLU 79 N -1.00 0.00 0.00 1.92 4.39 -1.48 0.03 114.58 118.44 2k0f h GLU 79 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 79 Cb 1.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2k0f h GLU 79 CO -0.03 0.10 -0.03 1.49 -1.16 0.00 0.00 179.01 179.37 2k0f h GLU 80 N 0.00 0.00 0.19 2.33 4.81 -1.38 0.30 114.58 120.84 2k0f h GLU 80 Ca -0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 80 Cb 0.52 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 80 CO 0.01 0.03 -1.50 0.82 -0.73 0.00 0.00 179.01 177.65 2k0f h ILE 81 N 0.00 1.14 -0.21 2.32 2.04 -1.14 -1.43 117.51 120.21 2k0f h ILE 81 Ca -0.00 -2.56 0.05 0.00 1.00 0.00 0.00 64.86 63.35 2k0f h ILE 81 Cb 0.09 2.91 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 2k0f h ILE 81 CO 0.00 0.80 -0.14 -0.09 0.00 0.00 0.00 178.15 178.73 2k0f h ARG 82 N -0.01 -0.12 0.00 2.37 2.43 -1.11 0.16 114.38 118.10 2k0f h ARG 82 Ca -0.29 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2k0f h ARG 82 Cb 2.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 2k0f h ARG 82 CO 0.19 -0.08 0.00 0.93 -1.51 0.00 0.00 179.97 179.50 2k0f h GLU 83 N -0.13 0.00 -0.01 0.20 4.39 -0.97 0.38 114.58 118.43 2k0f h GLU 83 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2k0f h GLU 83 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 83 CO -0.29 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.54 2k0f h ALA 84 N 2.30 0.02 -0.66 3.43 0.00 -0.66 -3.26 119.26 120.43 2k0f h ALA 84 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 84 Cb 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2k0f h ALA 84 CO 0.00 -0.21 0.42 0.35 0.00 0.00 0.00 179.25 179.81 2k0f h PHE 85 N -0.48 0.78 -1.01 0.00 3.04 0.94 -1.22 116.94 119.00 2k0f h PHE 85 Ca 0.00 0.02 0.23 0.00 3.98 0.00 0.00 57.97 62.20 2k0f h PHE 85 Cb 0.54 -0.26 -0.11 0.00 2.56 0.00 0.00 35.95 38.68 2k0f h PHE 85 CO 0.11 0.46 0.61 -0.09 -2.02 0.00 0.00 178.31 177.38 2k0f h ARG 86 N 0.83 0.60 -0.27 1.11 2.43 -0.47 -0.40 114.38 118.21 2k0f h ARG 86 Ca 0.26 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 86 Cb -0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2k0f h ARG 86 CO -0.10 0.40 -0.57 0.28 -1.51 0.00 0.00 179.97 178.47 2k0f h VAL 87 N 0.62 1.28 -0.33 0.20 2.07 -1.28 -3.31 116.25 115.49 2k0f h VAL 87 Ca 0.61 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 2k0f h VAL 87 Cb 1.14 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2k0f h VAL 87 CO -0.41 0.57 -0.11 -0.26 0.02 0.00 0.00 177.57 177.39 2k0f h PHE 88 N 0.64 0.75 -2.59 1.57 0.04 -1.05 -3.42 116.94 112.88 2k0f h PHE 88 Ca 0.01 -0.17 -0.54 0.00 2.80 0.00 0.00 57.97 60.06 2k0f h PHE 88 Cb 1.18 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 2k0f h PHE 88 CO 0.07 0.85 1.21 0.34 -0.60 0.00 0.00 178.31 180.18 2k0f s ASP 89 N -6.30 5.85 -0.06 2.17 2.15 -0.19 -4.59 116.67 115.70 2k0f s ASP 89 Ca -0.13 0.60 -0.24 0.00 0.43 0.00 0.00 52.55 53.21 2k0f s ASP 89 Cb 0.09 -2.54 -0.19 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 89 CO 0.80 -1.87 0.96 0.50 -0.17 0.00 0.00 175.17 175.39 2k0f h LYS 90 N 12.55 -0.09 0.33 4.34 1.63 -1.82 -3.36 116.57 130.15 2k0f h LYS 90 Ca -0.28 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2k0f h LYS 90 Cb 1.13 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2k0f h LYS 90 CO 1.14 0.47 -0.16 0.38 -3.45 0.00 0.00 179.45 177.84 2k0f h ASP 91 N -0.77 -0.37 0.00 4.20 3.04 -1.94 -3.49 116.42 117.08 2k0f h ASP 91 Ca -0.01 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 2k0f h ASP 91 Cb 0.60 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 2k0f h ASP 91 CO 0.02 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.92 2k0f n GLY 92 N 0.39 0.60 0.03 7.15 0.00 -1.26 -5.04 105.19 107.06 2k0f n GLY 92 Ca -0.07 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.43 0.00 1.61 6.94 -1.26 -5.02 115.26 117.96 2k0f n ASN 93 Ca 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 2k0f n ASN 93 Cb 0.00 1.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.70 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.30 0.88 2.74 4.83 0.00 -1.26 -5.07 105.19 108.62 2k0f n GLY 94 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 0.05 -0.26 1.61 1.51 -1.26 -3.87 117.35 113.13 2k0f s TYR 95 Ca 0.00 0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 56.10 2k0f s TYR 95 Cb 0.00 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 2k0f s TYR 95 CO 0.00 -0.12 0.26 0.42 -1.11 0.00 0.00 175.55 175.00 2k0f s ILE 96 N 1.41 5.27 0.37 2.71 1.01 -0.07 -4.90 121.20 127.00 2k0f s ILE 96 Ca -0.05 0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2k0f s ILE 96 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2k0f s ILE 96 CO -0.03 0.24 0.57 -0.44 0.00 0.00 0.00 174.94 175.28 2k0f s SER 97 N 1.50 6.11 0.22 3.58 0.01 -1.26 -1.65 113.70 122.21 2k0f s SER 97 Ca 0.11 0.31 -0.09 0.00 1.31 0.00 0.00 55.95 57.60 2k0f s SER 97 Cb -0.15 -1.78 0.24 0.00 0.21 0.00 0.00 66.02 64.54 2k0f s SER 97 CO 0.09 -0.43 1.84 0.00 0.41 0.00 0.00 173.24 175.14 2k0f h ALA 98 N 0.67 0.97 0.00 1.44 0.00 -1.96 -1.93 119.26 118.46 2k0f h ALA 98 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 98 Cb 1.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 98 CO 0.59 0.18 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2k0f h ALA 99 N 1.34 1.00 0.04 0.00 0.00 -1.97 0.25 119.26 119.91 2k0f h ALA 99 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k0f h ALA 99 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k0f h ALA 99 CO -0.15 0.00 -0.02 0.93 0.00 0.00 0.00 179.25 180.01 2k0f h GLU 100 N 0.00 -0.05 -0.82 0.00 5.08 -1.77 -2.76 114.58 114.26 2k0f h GLU 100 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 100 Cb 0.44 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 100 CO 0.00 -0.03 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.81 2k0f h LEU 101 N -0.15 -0.57 -0.38 1.33 3.38 -1.24 0.36 115.31 118.03 2k0f h LEU 101 Ca -0.01 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2k0f h LEU 101 Cb 0.04 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 2k0f h LEU 101 CO 0.01 -0.25 -0.40 -0.09 0.09 0.00 0.00 178.44 177.80 2k0f h ARG 102 N 0.04 -0.31 -0.20 1.13 2.43 -0.65 -1.27 114.38 115.55 2k0f h ARG 102 Ca 0.43 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2k0f h ARG 102 Cb 0.73 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2k0f h ARG 102 CO -0.79 -0.21 -0.00 1.25 -1.51 0.00 0.00 179.97 178.71 2k0f h HIS 103 N -0.32 0.30 -0.19 2.20 2.76 -1.04 0.30 115.15 119.15 2k0f h HIS 103 Ca 0.14 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2k0f h HIS 103 Cb 0.58 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2k0f h HIS 103 CO -0.59 0.31 0.09 0.28 -1.30 0.00 0.00 177.93 176.72 2k0f h VAL 104 N 0.29 1.13 -0.54 5.26 2.07 -0.39 0.91 116.25 124.98 2k0f h VAL 104 Ca 0.07 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 2k0f h VAL 104 Cb 0.20 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 104 CO 0.00 0.12 -0.06 -0.03 0.02 0.00 0.00 177.57 177.63 2k0f h MET 105 N 0.18 0.96 -0.47 1.57 -1.53 -0.80 -1.44 114.93 113.41 2k0f h MET 105 Ca 0.06 -0.32 0.09 0.00 -3.44 0.00 0.00 59.70 56.10 2k0f h MET 105 Cb 0.11 -0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.00 2k0f h MET 105 CO -0.01 0.99 -0.07 1.15 0.14 0.00 0.00 176.91 179.11 2k0f h THR 106 N 0.87 0.57 0.00 -0.77 2.02 -0.87 -0.89 112.91 113.85 2k0f h THR 106 Ca 0.15 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 2k0f h THR 106 Cb 0.59 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2k0f h THR 106 CO 0.04 0.01 -0.15 0.78 0.37 0.00 0.00 175.52 176.56 2k0f h ASN 107 N 0.04 0.00 0.81 4.18 2.35 -0.40 -2.80 115.58 119.76 2k0f h ASN 107 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2k0f h ASN 107 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2k0f h ASN 107 CO -0.45 0.15 -0.27 0.18 -1.65 0.00 0.00 177.43 175.40 2k0f n LEU 108 N -4.15 0.33 -1.14 1.61 4.77 -0.58 -4.73 117.00 113.10 2k0f n LEU 108 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2k0f n LEU 108 Cb 0.23 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2k0f n LEU 108 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k0f n GLY 109 N 1.47 0.76 3.01 -0.72 0.00 -0.40 -4.85 105.19 104.47 2k0f n GLY 109 Ca 0.06 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.01 0.99 -0.66 1.61 2.56 -0.83 -5.01 118.70 114.34 2k0f s GLU 110 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 54.69 2k0f s GLU 110 Cb 0.00 -0.92 0.16 0.00 2.00 0.00 0.00 34.13 35.37 2k0f s GLU 110 CO 0.00 0.13 0.44 0.15 -0.56 0.00 0.00 175.26 175.42 2k0f s LYS 111 N 0.16 2.38 1.03 4.30 1.02 -1.26 -4.04 119.74 123.33 2k0f s LYS 111 Ca -0.03 -3.13 -0.17 0.00 0.02 0.00 0.00 55.97 52.66 2k0f s LYS 111 Cb -0.08 -3.43 0.24 0.00 -0.52 0.00 0.00 37.83 34.03 2k0f s LYS 111 CO 0.00 -1.23 1.31 1.47 -0.92 0.00 0.00 175.35 175.98 2k0f n LEU 112 N 2.33 0.00 -4.73 3.17 -0.00 -1.26 -5.11 117.00 111.40 2k0f n LEU 112 Ca 0.15 -1.43 -0.23 0.00 -0.00 0.00 0.00 56.01 54.51 2k0f n LEU 112 Cb 0.34 -1.03 -0.06 0.00 -0.00 0.00 0.00 43.42 42.67 2k0f n LEU 112 CO 0.30 -1.57 -0.21 0.42 -0.00 0.00 0.00 177.39 176.32 2k0f s THR 113 N -3.80 3.15 0.06 1.47 -4.23 -1.26 -5.05 115.64 105.98 2k0f s THR 113 Ca 0.76 -1.71 0.19 0.00 -1.18 0.00 0.00 61.69 59.75 2k0f s THR 113 Cb -0.03 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.98 2k0f s THR 113 CO 0.54 -0.22 1.68 0.44 -0.54 0.00 0.00 174.62 176.52 2k0f h ASP 114 N 1.59 0.00 -0.96 3.99 5.19 -1.99 -2.76 116.42 121.48 2k0f h ASP 114 Ca -0.44 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.05 2k0f h ASP 114 Cb 1.25 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.69 2k0f h ASP 114 CO 0.63 0.36 0.61 -0.33 -3.12 0.00 0.00 179.24 177.38 2k0f h GLU 115 N 0.00 1.05 0.00 3.56 3.07 -1.99 -0.94 114.58 119.32 2k0f h GLU 115 Ca -0.00 -0.06 -0.22 0.00 -0.50 0.00 0.00 59.36 58.58 2k0f h GLU 115 Cb 0.99 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 2k0f h GLU 115 CO 0.05 0.69 -1.25 0.93 -1.40 0.00 0.00 179.01 178.03 2k0f h GLU 116 N 1.08 0.00 -0.20 2.33 5.08 -1.93 -2.53 114.58 118.41 2k0f h GLU 116 Ca 0.43 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 116 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 116 CO -0.19 0.62 -0.64 0.28 -1.00 0.00 0.00 179.01 178.07 2k0f h VAL 117 N 0.00 1.30 0.73 3.13 2.07 -1.40 -2.69 116.25 119.38 2k0f h VAL 117 Ca -0.13 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.49 2k0f h VAL 117 Cb 1.76 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2k0f h VAL 117 CO 0.09 0.59 -0.45 -0.78 0.02 0.00 0.00 177.57 177.03 2k0f h ASP 118 N 0.53 -1.15 -1.19 0.57 3.58 -1.15 -3.16 116.42 114.46 2k0f h ASP 118 Ca -0.01 0.07 0.38 0.00 0.42 0.00 0.00 57.03 57.88 2k0f h ASP 118 Cb 1.24 0.34 -0.13 0.00 1.72 0.00 0.00 39.33 42.50 2k0f h ASP 118 CO 0.13 -0.70 0.74 -0.08 -2.88 0.00 0.00 179.24 176.45 2k0f h GLU 119 N -1.12 0.17 0.10 0.28 4.81 -1.34 -1.10 114.58 116.39 2k0f h GLU 119 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 119 Cb 0.90 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k0f h GLU 119 CO 0.09 0.11 -0.05 1.98 -0.73 0.00 0.00 179.01 180.42 2k0f h MET 120 N 0.18 -0.13 -0.08 1.92 4.05 -1.51 -3.21 114.93 116.14 2k0f h MET 120 Ca 0.77 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 60.19 2k0f h MET 120 Cb 2.19 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 33.02 2k0f h MET 120 CO -0.46 -0.04 0.05 0.82 0.23 0.00 0.00 176.91 177.51 2k0f h ILE 121 N -0.20 1.07 -0.58 1.77 1.08 -1.17 -3.08 117.51 116.41 2k0f h ILE 121 Ca -0.01 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 2k0f h ILE 121 Cb 0.16 1.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.87 2k0f h ILE 121 CO 0.02 0.06 -0.52 0.03 -0.69 0.00 0.00 178.15 177.05 2k0f h ARG 122 N 0.05 -0.21 0.00 2.37 2.47 -1.57 0.39 114.38 117.88 2k0f h ARG 122 Ca 0.03 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 2k0f h ARG 122 Cb 0.06 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2k0f h ARG 122 CO -0.00 -0.14 -0.22 1.05 0.56 0.00 0.00 179.97 181.21 2k0f h GLU 123 N -0.22 0.00 0.01 0.04 4.11 -1.54 -3.24 114.58 113.74 2k0f h GLU 123 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.48 2k0f h GLU 123 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 123 CO -0.66 0.22 -0.27 0.00 0.07 0.00 0.00 179.01 178.37 2k0f h ALA 124 N 1.78 0.04 -2.29 1.06 0.00 -1.34 -3.46 119.26 115.05 2k0f h ALA 124 Ca -0.00 -0.64 -0.54 0.00 0.00 0.00 0.00 54.91 53.73 2k0f h ALA 124 Cb 0.66 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 124 CO 0.03 0.15 1.28 0.34 0.00 0.00 0.00 179.25 181.04 2k0f s ASP 125 N -6.37 6.27 -0.21 0.00 2.15 0.13 -4.90 116.67 113.74 2k0f s ASP 125 Ca -0.20 2.54 -0.07 0.00 0.43 0.00 0.00 52.55 55.25 2k0f s ASP 125 Cb -0.01 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 125 CO 0.68 -1.21 -0.00 -0.38 -0.17 0.00 0.00 175.17 174.08 2k0f n ILE 126 N 5.94 1.60 -0.02 4.11 2.08 -1.26 -4.61 119.36 127.20 2k0f n ILE 126 Ca 0.22 -0.49 -0.16 0.00 0.56 0.00 0.00 62.75 62.87 2k0f n ILE 126 Cb 0.42 -1.68 -0.12 0.00 -0.75 0.00 0.00 39.64 37.51 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -0.28 0.26 0.00 4.38 3.04 -1.93 -3.49 116.42 118.40 2k0f h ASP 127 Ca -0.52 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 52.45 2k0f h ASP 127 Cb 1.82 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 40.03 2k0f h ASP 127 CO -0.11 1.05 0.00 0.61 -2.04 0.00 0.00 179.24 178.75 2k0f n GLY 128 N 1.18 0.80 0.09 7.15 0.00 -1.26 -5.04 105.19 108.11 2k0f n GLY 128 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 2.03 -1.95 -3.48 116.42 114.63 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.75 0.00 0.61 -1.03 0.00 0.00 179.24 179.57 2k0f n GLY 130 N 1.37 1.30 3.06 7.15 0.00 -1.26 -5.09 105.19 111.73 2k0f n GLY 130 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.19 0.40 -0.34 1.61 -0.21 -1.26 -4.49 119.66 115.18 2k0f s GLN 131 Ca 0.00 -0.41 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 2k0f s GLN 131 Cb 0.00 0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.18 2k0f s GLN 131 CO 0.00 -0.09 0.18 0.08 -2.12 0.00 0.00 175.29 173.35 2k0f s VAL 132 N -1.28 4.62 0.30 1.09 1.01 -0.66 -4.65 120.40 120.83 2k0f s VAL 132 Ca -0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2k0f s VAL 132 Cb -0.08 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.91 2k0f s VAL 132 CO 0.01 -0.08 0.40 -0.46 0.00 0.00 0.00 175.10 174.97 2k0f n ASN 133 N 5.00 0.06 -0.10 3.32 0.23 -1.26 -0.89 115.26 121.61 2k0f n ASN 133 Ca -0.13 -1.16 -0.12 0.00 -0.53 0.00 0.00 54.58 52.64 2k0f n ASN 133 Cb 0.48 -0.31 -0.04 0.00 -2.08 0.00 0.00 39.78 37.83 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -1.18 0.67 -0.96 -2.53 3.20 -1.99 -2.59 116.97 111.59 2k0f h TYR 134 Ca -0.13 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.59 2k0f h TYR 134 Cb 0.37 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2k0f h TYR 134 CO 0.00 0.82 0.64 1.49 -1.64 0.00 0.00 178.16 179.47 2k0f h GLU 135 N 0.34 1.26 -0.59 1.82 4.81 -1.95 0.34 114.58 120.60 2k0f h GLU 135 Ca 0.07 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 135 Cb 0.63 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 135 CO 0.04 0.83 0.39 0.93 -0.73 0.00 0.00 179.01 180.48 2k0f h GLU 136 N 1.30 0.55 0.00 1.92 5.08 -1.93 -1.45 114.58 120.05 2k0f h GLU 136 Ca 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2k0f h GLU 136 Cb -0.14 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2k0f h GLU 136 CO -0.08 0.36 -0.12 0.35 -1.00 0.00 0.00 179.01 178.52 2k0f h PHE 137 N 0.57 0.00 0.00 4.33 3.04 -0.18 -3.32 116.94 121.37 2k0f h PHE 137 Ca 0.26 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.10 2k0f h PHE 137 Cb 0.29 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2k0f h PHE 137 CO -0.00 0.51 -0.53 0.28 -2.02 0.00 0.00 178.31 176.55 2k0f h VAL 138 N -1.00 1.03 0.00 1.41 2.07 -0.51 -1.73 116.25 117.52 2k0f h VAL 138 Ca -0.02 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.42 2k0f h VAL 138 Cb 0.53 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2k0f h VAL 138 CO -0.01 0.52 -0.17 1.56 0.02 0.00 0.00 177.57 179.48 2k0f h GLN 139 N 0.00 0.00 0.04 1.57 4.20 -1.48 -2.97 115.11 116.46 2k0f h GLN 139 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k0f h GLN 139 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2k0f h GLN 139 CO 0.07 0.00 -0.02 1.98 -0.67 0.00 0.00 178.83 180.19 2k0f h MET 140 N 0.00 -0.05 0.00 1.46 4.05 -1.59 -3.39 114.93 115.42 2k0f h MET 140 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2k0f h MET 140 Cb 0.79 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2k0f h MET 140 CO 0.00 0.60 -0.28 0.52 0.23 0.00 0.00 176.91 177.98 2k0f h MET 141 N -0.91 0.00 -0.01 0.39 2.86 -1.35 -3.51 114.93 112.40 2k0f h MET 141 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 141 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2k0f h MET 141 CO 0.01 0.28 0.00 0.25 1.06 0.00 0.00 176.91 178.50