#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 1.02 -0.61 -2.82 3.07 -2.05 -1.95 114.58 111.24 2k0f h GLU 2 Ca 0.00 -0.06 0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2k0f h GLU 2 Cb 0.00 -0.23 -0.09 0.00 -0.84 0.00 0.00 28.75 27.59 2k0f h GLU 2 CO 0.00 0.67 0.10 0.93 -1.40 0.00 0.00 179.01 179.31 2k0f h GLU 3 N 1.05 0.21 0.02 2.33 4.39 -2.07 -2.20 114.58 118.32 2k0f h GLU 3 Ca 0.41 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 2k0f h GLU 3 Cb 0.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k0f h GLU 3 CO -0.18 0.14 -0.01 1.96 -1.16 0.00 0.00 179.01 179.76 2k0f h GLN 4 N 0.22 -0.02 -0.87 2.33 7.50 -1.82 -3.26 115.11 119.19 2k0f h GLN 4 Ca 0.32 0.00 0.23 0.00 0.50 0.00 0.00 58.65 59.70 2k0f h GLN 4 Cb 0.49 0.01 -0.15 0.00 0.05 0.00 0.00 27.48 27.88 2k0f h GLN 4 CO -0.44 0.74 0.15 0.82 -1.50 0.00 0.00 178.83 178.60 2k0f h ILE 5 N -0.88 0.27 -0.18 2.54 1.08 -1.54 0.23 117.51 119.02 2k0f h ILE 5 Ca -0.00 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 5 Cb 0.77 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 2k0f h ILE 5 CO 0.00 0.03 0.23 0.00 -0.69 0.00 0.00 178.15 177.72 2k0f h ALA 6 N 1.80 1.75 0.16 1.87 0.00 -1.43 -0.88 119.26 122.53 2k0f h ALA 6 Ca 0.53 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.21 2k0f h ALA 6 Cb 1.05 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 6 CO -0.70 -0.33 -0.96 0.93 0.00 0.00 0.00 179.25 178.19 2k0f h GLU 7 N 0.00 0.37 0.00 0.00 5.08 -1.01 -2.58 114.58 116.44 2k0f h GLU 7 Ca 0.09 -0.61 -0.13 0.00 -1.00 0.00 0.00 59.36 57.71 2k0f h GLU 7 Cb 0.55 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 7 CO -0.00 1.29 -0.61 0.74 -1.00 0.00 0.00 179.01 179.42 2k0f h PHE 8 N -0.23 0.00 -0.07 4.33 0.04 -1.40 -2.50 116.94 117.11 2k0f h PHE 8 Ca -0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2k0f h PHE 8 Cb 1.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.90 2k0f h PHE 8 CO 0.18 0.61 -0.00 -0.22 -0.60 0.00 0.00 178.31 178.28 2k0f h LYS 9 N 0.00 0.13 -0.15 1.51 3.64 -1.22 -0.93 116.57 119.56 2k0f h LYS 9 Ca -0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2k0f h LYS 9 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2k0f h LYS 9 CO 0.08 0.40 -0.34 0.93 -2.27 0.00 0.00 179.45 178.25 2k0f h GLU 10 N -0.16 0.30 -0.50 1.90 4.39 -1.28 0.67 114.58 119.91 2k0f h GLU 10 Ca 0.02 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2k0f h GLU 10 Cb 0.35 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2k0f h GLU 10 CO 0.00 0.61 -0.01 0.00 -1.16 0.00 0.00 179.01 178.45 2k0f h ALA 11 N 1.39 0.67 -0.66 3.43 0.00 -1.49 -2.72 119.26 119.88 2k0f h ALA 11 Ca 0.03 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 11 Cb 0.73 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 11 CO 0.06 0.49 0.33 0.35 0.00 0.00 0.00 179.25 180.48 2k0f h PHE 12 N 0.75 0.60 0.00 0.00 3.04 -0.56 -2.89 116.94 117.88 2k0f h PHE 12 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 2k0f h PHE 12 Cb 0.53 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO 0.04 0.25 0.04 0.77 -2.02 0.00 0.00 178.31 177.39 2k0f h SER 13 N 0.60 0.00 -0.21 0.41 0.02 -0.66 0.19 113.55 113.89 2k0f h SER 13 Ca 0.31 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 2k0f h SER 13 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2k0f h SER 13 CO -0.23 0.00 -0.05 0.25 -1.14 0.00 0.00 176.83 175.66 2k0f h LEU 14 N 0.00 0.41 0.00 5.07 5.85 -1.26 -3.34 115.31 122.04 2k0f h LEU 14 Ca 0.00 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k0f h LEU 14 Cb 0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2k0f h LEU 14 CO 0.00 0.68 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.48 2k0f h PHE 15 N 0.13 0.00 -0.36 1.25 0.04 -1.43 -3.40 116.94 113.17 2k0f h PHE 15 Ca 0.05 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 15 Cb 0.51 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 2k0f h PHE 15 CO 0.05 0.00 2.55 -3.47 -0.60 0.00 0.00 178.31 176.84 2k0f n ASP 16 N -4.77 4.08 0.00 2.17 2.03 0.56 -4.72 116.55 115.91 2k0f n ASP 16 Ca -0.01 -2.84 0.06 0.00 0.52 0.00 0.00 54.79 52.52 2k0f n ASP 16 Cb 0.02 -1.65 0.28 0.00 -0.72 0.00 0.00 41.12 39.06 2k0f n ASP 16 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k0f n LYS 17 N 7.22 0.07 0.02 -0.67 5.02 -1.25 -3.45 118.16 125.12 2k0f n LYS 17 Ca 0.50 0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 57.02 2k0f n LYS 17 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k0f h ASP 18 N 0.00 -0.07 0.00 4.39 3.32 -1.90 -3.48 116.42 118.67 2k0f h ASP 18 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 18 Cb 0.17 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2k0f h ASP 18 CO 0.00 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 2k0f n GLY 19 N 1.44 1.49 0.18 2.75 0.00 -1.22 -4.98 105.19 104.85 2k0f n GLY 19 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 1.17 0.00 1.61 5.68 -1.26 -4.99 116.55 118.76 2k0f n ASP 20 Ca 0.00 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 2k0f n ASP 20 Cb 0.00 0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.45 0.62 2.89 6.12 0.00 -1.26 -5.04 105.19 109.97 2k0f n GLY 21 Ca 0.07 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.02 -0.17 2.61 -4.23 -1.26 -3.77 115.64 106.80 2k0f s THR 22 Ca 0.00 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2k0f s THR 22 Cb 0.00 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.72 2k0f s THR 22 CO 0.00 0.02 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.43 2k0f s ILE 23 N 0.35 3.72 0.43 2.99 1.01 -0.66 -4.82 121.20 124.23 2k0f s ILE 23 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2k0f s ILE 23 Cb -0.04 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2k0f s ILE 23 CO -0.01 0.48 0.62 0.42 0.00 0.00 0.00 174.94 176.45 2k0f s THR 24 N 0.61 3.69 0.41 2.92 -4.23 -1.26 -1.74 115.64 116.03 2k0f s THR 24 Ca -0.03 -0.72 0.19 0.00 -1.18 0.00 0.00 61.69 59.95 2k0f s THR 24 Cb -0.15 -3.33 0.40 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 24 CO 0.03 -0.19 1.79 0.71 -0.54 0.00 0.00 174.62 176.41 2k0f h THR 25 N 0.51 0.54 0.00 3.99 1.35 -1.95 -2.22 112.91 115.13 2k0f h THR 25 Ca -0.45 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.15 2k0f h THR 25 Cb 1.26 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2k0f h THR 25 CO 0.54 0.07 -0.63 0.07 -0.25 0.00 0.00 175.52 175.32 2k0f h LYS 26 N 0.37 0.00 0.00 4.72 2.10 -1.97 -2.02 116.57 119.78 2k0f h LYS 26 Ca 0.57 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.04 2k0f h LYS 26 Cb 1.50 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.80 2k0f h LYS 26 CO -0.26 0.63 -0.89 0.93 -2.00 0.00 0.00 179.45 177.87 2k0f h GLU 27 N 0.00 0.00 0.05 0.07 5.08 -1.73 0.13 114.58 118.18 2k0f h GLU 27 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k0f h GLU 27 CO 0.08 0.89 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.88 2k0f h LEU 28 N 0.00 -0.06 -0.97 1.33 3.38 -1.60 -3.35 115.31 114.04 2k0f h LEU 28 Ca -0.01 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 57.66 2k0f h LEU 28 Cb 1.59 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 42.17 2k0f h LEU 28 CO 0.12 0.66 -0.17 0.61 0.09 0.00 0.00 178.44 179.74 2k0f n GLY 29 N 1.32 -1.55 0.30 0.83 0.00 -0.76 -0.58 105.19 104.75 2k0f n GLY 29 Ca -0.06 1.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.87 2k0f n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0f h THR 30 N 0.00 1.27 0.23 2.61 1.03 -1.16 -0.78 112.91 116.11 2k0f h THR 30 Ca 0.50 -1.27 -0.01 0.00 -0.01 0.00 0.00 66.41 65.62 2k0f h THR 30 Cb 0.85 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2k0f h THR 30 CO -0.98 0.45 -0.11 0.58 -0.01 0.00 0.00 175.52 175.45 2k0f h VAL 31 N 0.93 0.77 -0.62 0.00 2.07 -1.06 -1.70 116.25 116.63 2k0f h VAL 31 Ca 0.14 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.86 2k0f h VAL 31 Cb 0.68 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 2k0f h VAL 31 CO 0.05 0.17 -0.36 0.23 0.02 0.00 0.00 177.57 177.67 2k0f n MET 32 N -5.02 -0.27 0.23 1.57 2.81 0.25 -0.85 117.12 115.83 2k0f n MET 32 Ca -0.09 0.94 0.07 0.00 -1.81 0.00 0.00 57.70 56.81 2k0f n MET 32 Cb 0.26 -1.38 0.53 0.00 -0.71 0.00 0.00 33.22 31.93 2k0f n MET 32 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k0f h ARG 33 N 0.00 0.00 -0.04 0.03 2.43 -0.34 0.49 114.38 116.95 2k0f h ARG 33 Ca 0.10 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 33 Cb 0.25 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2k0f h ARG 33 CO -0.58 0.22 -0.89 0.77 -1.51 0.00 0.00 179.97 177.97 2k0f h SER 34 N 0.00 0.70 0.82 -3.80 0.02 -0.26 -3.08 113.55 107.95 2k0f h SER 34 Ca -0.00 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 2k0f h SER 34 Cb 0.43 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.77 2k0f h SER 34 CO 0.03 1.31 -0.40 0.25 -1.14 0.00 0.00 176.83 176.88 2k0f h LEU 35 N 0.34 -0.94 0.00 5.07 5.85 -0.80 -3.38 115.31 121.45 2k0f h LEU 35 Ca -0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 35 Cb 1.52 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2k0f h LEU 35 CO 0.17 -0.66 0.00 0.61 -0.34 0.00 0.00 178.44 178.22 2k0f n GLY 36 N -1.47 -0.58 3.60 3.75 0.00 0.14 -4.87 105.19 105.76 2k0f n GLY 36 Ca -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.55 -0.39 1.61 0.74 0.53 -4.92 119.66 117.78 2k0f s GLN 37 Ca 0.00 1.39 -0.12 0.00 0.05 0.00 0.00 55.36 56.68 2k0f s GLN 37 Cb 0.00 0.77 0.03 0.00 1.10 0.00 0.00 33.01 34.91 2k0f s GLN 37 CO 0.00 -0.20 0.24 -0.80 -0.55 0.00 0.00 175.29 173.98 2k0f s ASN 38 N 2.79 5.85 0.88 6.67 0.01 -1.26 -1.81 114.94 128.07 2k0f s ASN 38 Ca -0.06 -1.01 -0.12 0.00 -0.71 0.00 0.00 52.86 50.96 2k0f s ASN 38 Cb -0.12 -2.07 0.16 0.00 0.41 0.00 0.00 41.25 39.64 2k0f s ASN 38 CO -0.18 -0.42 1.22 -2.16 -1.51 0.00 0.00 177.10 174.05 2k0f s PRO 39 N 1.59 1.10 0.12 -0.60 0.04 -1.26 -5.09 135.00 130.90 2k0f s PRO 39 Ca 0.03 -0.47 0.06 0.00 0.04 0.00 0.00 61.00 60.65 2k0f s PRO 39 Cb -0.19 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2k0f s PRO 39 CO 0.07 -2.05 0.00 0.95 0.04 0.00 0.00 177.00 176.02 2k0f s THR 40 N -3.66 3.94 -0.03 1.26 -4.23 -1.26 -5.09 115.64 106.56 2k0f s THR 40 Ca 0.70 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.00 2k0f s THR 40 Cb -0.05 -2.91 -0.30 0.00 1.34 0.00 0.00 72.50 70.57 2k0f s THR 40 CO 0.50 0.04 0.73 -0.33 -0.54 0.00 0.00 174.62 175.02 2k0f h GLU 41 N 3.17 0.36 -0.25 3.99 5.08 -1.98 -3.13 114.58 121.81 2k0f h GLU 41 Ca -0.48 -0.62 -0.20 0.00 -1.00 0.00 0.00 59.36 57.07 2k0f h GLU 41 Cb 1.18 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2k0f h GLU 41 CO 0.59 1.27 -0.61 0.00 -1.00 0.00 0.00 179.01 179.26 2k0f h ALA 42 N 0.22 0.44 -0.82 3.43 0.00 -1.98 0.13 119.26 120.67 2k0f h ALA 42 Ca -0.32 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 42 Cb 2.08 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2k0f h ALA 42 CO 0.18 0.68 0.53 0.93 0.00 0.00 0.00 179.25 181.57 2k0f h GLU 43 N 0.63 0.75 0.02 0.00 3.07 -2.01 -2.60 114.58 114.44 2k0f h GLU 43 Ca -0.00 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.61 2k0f h GLU 43 Cb 1.22 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2k0f h GLU 43 CO 0.13 0.50 -0.93 1.25 -1.40 0.00 0.00 179.01 178.56 2k0f h LEU 44 N 0.78 0.20 -1.28 1.33 5.85 -1.00 -2.26 115.31 118.93 2k0f h LEU 44 Ca 0.38 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 44 Cb 0.42 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 44 CO -0.15 1.02 0.27 -0.61 -0.34 0.00 0.00 178.44 178.63 2k0f h GLN 45 N 0.07 0.76 -0.21 1.25 5.75 -0.95 -2.23 115.11 119.56 2k0f h GLN 45 Ca -0.04 -0.09 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 2k0f h GLN 45 Cb 1.59 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.99 2k0f h GLN 45 CO 0.14 0.59 -0.34 0.22 -2.65 0.00 0.00 178.83 176.79 2k0f h ASP 46 N 0.77 0.66 -0.77 -0.69 3.58 -1.27 -0.84 116.42 117.86 2k0f h ASP 46 Ca 0.19 -0.53 0.12 0.00 0.42 0.00 0.00 57.03 57.24 2k0f h ASP 46 Cb 0.07 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 40.85 2k0f h ASP 46 CO -0.03 1.06 0.37 0.24 -2.88 0.00 0.00 179.24 178.00 2k0f h MET 47 N 0.28 0.56 -0.33 0.28 2.86 -1.37 -1.54 114.93 115.67 2k0f h MET 47 Ca 0.02 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 47 Cb 0.92 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2k0f h MET 47 CO 0.08 0.37 -0.38 0.82 1.06 0.00 0.00 176.91 178.86 2k0f h ILE 48 N 0.58 1.28 0.00 -1.22 2.04 -1.22 -3.10 117.51 115.87 2k0f h ILE 48 Ca 0.40 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2k0f h ILE 48 Cb 0.51 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2k0f h ILE 48 CO -0.33 0.51 0.00 0.78 0.00 0.00 0.00 178.15 179.11 2k0f h ASN 49 N 0.65 0.00 0.60 1.72 2.35 -0.86 0.13 115.58 120.16 2k0f h ASN 49 Ca 0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2k0f h ASN 49 Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 2k0f h ASN 49 CO 0.09 0.00 -0.15 -0.08 -1.65 0.00 0.00 177.43 175.64 2k0f h GLU 50 N 0.00 0.00 0.00 0.81 4.22 -1.20 -3.32 114.58 115.08 2k0f h GLU 50 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.06 2k0f h GLU 50 Cb 0.40 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 50 CO 0.00 0.15 -2.39 0.28 -2.18 0.00 0.00 179.01 174.87 2k0f n VAL 51 N -3.49 1.39 -1.48 0.32 0.31 0.22 -5.01 118.33 110.61 2k0f n VAL 51 Ca -0.01 -0.50 -0.59 0.00 -0.01 0.00 0.00 64.34 63.23 2k0f n VAL 51 Cb 0.31 -1.44 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2k0f n ASP 52 N -3.36 1.45 -0.12 4.52 2.03 0.01 -4.93 116.55 116.16 2k0f n ASP 52 Ca -0.44 0.79 -0.24 0.00 0.52 0.00 0.00 54.79 55.42 2k0f n ASP 52 Cb 0.94 -1.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.21 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 6.95 1.20 0.05 -1.67 0.00 -1.26 -4.82 120.51 120.96 2k0f n ALA 53 Ca 0.42 -0.98 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 2k0f n ALA 53 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.54 -0.11 0.00 0.00 3.04 -1.96 -3.48 116.42 113.37 2k0f h ASP 54 Ca -0.59 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.20 2k0f h ASP 54 Cb 1.72 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 40.04 2k0f h ASP 54 CO -0.23 -0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 2k0f n GLY 55 N 0.38 0.00 0.12 7.15 0.00 -1.26 -5.07 105.19 106.51 2k0f n GLY 55 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.68 0.00 0.61 0.07 0.00 0.00 177.43 178.79 2k0f n GLY 57 N 0.65 0.51 3.29 9.14 0.00 -1.26 -5.09 105.19 112.42 2k0f n GLY 57 Ca -0.00 0.00 -0.30 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 -2.00 1.95 -0.31 2.61 -4.23 -1.26 -4.90 115.64 107.50 2k0f s THR 58 Ca 0.00 -1.07 -0.24 0.00 -1.18 0.00 0.00 61.69 59.20 2k0f s THR 58 Cb 0.00 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2k0f s THR 58 CO 0.00 0.53 0.82 -0.51 -0.54 0.00 0.00 174.62 174.92 2k0f s ILE 59 N -0.59 4.76 0.77 2.99 2.07 -0.71 -4.82 121.20 125.67 2k0f s ILE 59 Ca 0.10 1.24 -0.04 0.00 -1.41 0.00 0.00 60.65 60.54 2k0f s ILE 59 Cb -0.09 -4.18 0.14 0.00 0.13 0.00 0.00 42.46 38.46 2k0f s ILE 59 CO -0.01 -0.28 1.06 -1.81 -1.91 0.00 0.00 174.94 171.99 2k0f s ASP 60 N 1.62 4.12 -0.08 4.50 1.11 -1.26 -1.65 116.67 125.04 2k0f s ASP 60 Ca 0.34 -0.21 -0.22 0.00 0.18 0.00 0.00 52.55 52.64 2k0f s ASP 60 Cb -0.14 -0.11 -0.18 0.00 1.07 0.00 0.00 42.92 43.56 2k0f s ASP 60 CO 0.13 -2.02 0.80 0.15 1.18 0.00 0.00 175.17 175.41 2k0f h PHE 61 N -0.75 -0.09 0.00 4.23 3.57 -1.94 -1.42 116.94 120.55 2k0f h PHE 61 Ca -0.38 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.26 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2k0f h PHE 61 CO -0.36 0.48 0.00 -2.30 -2.23 0.00 0.00 178.31 173.89 2k0f n PRO 62 N -4.80 0.16 -0.00 6.41 -0.02 -1.26 -2.13 135.00 133.35 2k0f n PRO 62 Ca -0.08 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2k0f n PRO 62 Cb 0.30 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 -0.08 -0.98 -0.52 5.08 -1.90 -2.88 114.58 113.30 2k0f h GLU 63 Ca 0.00 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 63 Cb 0.18 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 63 CO 0.00 0.50 0.63 0.35 -1.00 0.00 0.00 179.01 179.49 2k0f h PHE 64 N -0.77 0.71 -0.88 4.33 3.57 -0.72 0.15 116.94 123.34 2k0f h PHE 64 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 64 Cb 0.62 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2k0f h PHE 64 CO 0.14 0.14 0.52 -0.07 -2.23 0.00 0.00 178.31 176.80 2k0f h LEU 65 N 0.49 1.06 -0.13 0.59 3.38 -1.51 -1.51 115.31 117.69 2k0f h LEU 65 Ca 0.54 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 58.21 2k0f h LEU 65 Cb 1.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k0f h LEU 65 CO -0.27 0.83 -1.00 0.74 0.09 0.00 0.00 178.44 178.83 2k0f h THR 66 N 1.21 1.48 -0.07 0.22 2.02 -1.14 -1.28 112.91 115.35 2k0f h THR 66 Ca 0.31 -2.74 0.03 0.00 0.77 0.00 0.00 66.41 64.79 2k0f h THR 66 Cb -0.03 2.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 2k0f h THR 66 CO -0.06 0.80 -0.16 -0.03 0.37 0.00 0.00 175.52 176.44 2k0f h MET 67 N 0.13 -0.22 0.00 6.66 -1.53 -0.68 -3.23 114.93 116.06 2k0f h MET 67 Ca -0.07 0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.15 2k0f h MET 67 Cb 1.66 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.75 2k0f h MET 67 CO 0.16 -0.15 -0.23 0.52 0.14 0.00 0.00 176.91 177.35 2k0f h MET 68 N -0.23 0.00 0.10 0.39 2.86 -1.23 -3.33 114.93 113.48 2k0f h MET 68 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2k0f h MET 68 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 68 CO -0.21 0.23 -0.05 0.00 1.06 0.00 0.00 176.91 177.95 2k0f h ALA 69 N 1.77 -0.13 -2.20 6.32 0.00 -1.24 -3.46 119.26 120.32 2k0f h ALA 69 Ca -0.00 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 69 Cb 0.97 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 69 CO 0.03 -0.55 0.21 1.03 0.00 0.00 0.00 179.25 179.97 2k0f s ARG 70 N -5.98 4.12 0.54 0.00 1.81 -1.25 -5.10 118.95 113.08 2k0f s ARG 70 Ca -0.14 0.89 0.04 0.00 -1.72 0.00 0.00 55.73 54.80 2k0f s ARG 70 Cb 0.05 -2.32 0.03 0.00 -0.45 0.00 0.00 34.95 32.26 2k0f s ARG 70 CO 0.65 0.07 0.31 0.15 -0.68 0.00 0.00 175.30 175.81 2k0f s LYS 71 N -3.06 2.24 0.00 3.54 1.02 -1.26 -5.00 119.74 117.22 2k0f s LYS 71 Ca 0.58 -2.12 0.00 0.00 0.02 0.00 0.00 55.97 54.45 2k0f s LYS 71 Cb -0.10 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 2k0f s LYS 71 CO 0.15 -0.57 0.00 -1.33 -0.92 0.00 0.00 175.35 172.69 2k0f n MET 72 N -1.65 2.77 -0.11 1.68 2.81 -1.26 -5.16 117.12 116.20 2k0f n MET 72 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2k0f n MET 72 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 2k0f n MET 72 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k0f n LYS 73 N -0.10 1.34 -0.01 0.03 5.02 -1.26 -4.80 118.16 118.38 2k0f n LYS 73 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2k0f n LYS 73 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 2k0f n LYS 73 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0f h ASP 74 N 0.00 0.31 -0.38 4.39 2.03 -2.01 -2.46 116.42 118.29 2k0f h ASP 74 Ca 0.00 -0.86 -0.08 0.00 -0.73 0.00 0.00 57.03 55.36 2k0f h ASP 74 Cb 0.00 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 2k0f h ASP 74 CO 0.00 1.13 -0.03 0.71 -1.03 0.00 0.00 179.24 180.02 2k0f h THR 75 N -0.48 1.25 -0.52 1.15 1.35 -2.02 -2.97 112.91 110.67 2k0f h THR 75 Ca -0.06 -1.05 -0.07 0.00 -0.55 0.00 0.00 66.41 64.68 2k0f h THR 75 Cb 1.23 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 2k0f h THR 75 CO 0.08 0.36 0.03 0.44 -0.25 0.00 0.00 175.52 176.18 2k0f h ASP 76 N 0.72 0.82 1.49 5.36 3.32 -1.94 -3.04 116.42 123.15 2k0f h ASP 76 Ca 0.14 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 76 Cb 0.49 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2k0f h ASP 76 CO 0.02 0.87 0.00 0.28 -1.72 0.00 0.00 179.24 178.69 2k0f h SER 77 N 0.80 0.00 0.05 6.45 0.02 -1.27 -0.86 113.55 118.74 2k0f h SER 77 Ca 0.16 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.74 2k0f h SER 77 Cb 0.44 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 2k0f h SER 77 CO 0.02 0.00 -2.12 -0.62 -1.14 0.00 0.00 176.83 172.97 2k0f n GLU 78 N -2.51 0.67 -0.17 3.45 1.02 -1.21 -4.32 120.64 117.58 2k0f n GLU 78 Ca 0.04 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.54 2k0f n GLU 78 Cb 0.42 -1.62 0.39 0.00 -0.02 0.00 0.00 31.44 30.61 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k0f h GLU 79 N -0.27 0.65 -0.94 3.49 4.39 -1.38 -2.56 114.58 117.94 2k0f h GLU 79 Ca -0.50 -0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.36 2k0f h GLU 79 Cb 1.82 -0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 30.24 2k0f h GLU 79 CO -0.09 0.43 0.61 1.49 -1.16 0.00 0.00 179.01 180.29 2k0f h GLU 80 N 0.66 0.51 0.03 2.33 4.81 -1.35 0.15 114.58 121.73 2k0f h GLU 80 Ca 0.32 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 80 Cb 0.37 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 80 CO -0.11 0.34 -0.02 0.82 -0.73 0.00 0.00 179.01 179.32 2k0f h ILE 81 N 0.53 1.38 -0.98 2.32 2.04 -1.67 -2.89 117.51 118.25 2k0f h ILE 81 Ca 0.51 -1.72 0.10 0.00 1.00 0.00 0.00 64.86 64.75 2k0f h ILE 81 Cb 1.09 2.47 -0.08 0.00 -0.74 0.00 0.00 36.82 39.56 2k0f h ILE 81 CO -0.24 0.41 0.61 0.03 0.00 0.00 0.00 178.15 178.97 2k0f h ARG 82 N -0.85 1.00 -0.25 2.37 3.08 -1.00 0.49 114.38 119.23 2k0f h ARG 82 Ca -0.00 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 82 Cb 0.71 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 82 CO 0.01 0.66 -0.15 0.93 -1.07 0.00 0.00 179.97 180.35 2k0f h GLU 83 N 1.03 -0.12 -0.18 0.04 5.08 -0.81 -0.93 114.58 118.69 2k0f h GLU 83 Ca 0.46 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.63 2k0f h GLU 83 Cb 0.36 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 83 CO -0.23 -0.08 -0.69 0.00 -1.00 0.00 0.00 179.01 177.01 2k0f h ALA 84 N 1.05 0.44 -0.80 3.43 0.00 -1.25 -3.11 119.26 119.01 2k0f h ALA 84 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 84 Cb 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 84 CO -0.32 0.70 0.49 0.35 0.00 0.00 0.00 179.25 180.47 2k0f h PHE 85 N 0.52 0.91 -0.82 0.00 3.57 -0.02 -2.63 116.94 118.47 2k0f h PHE 85 Ca -0.03 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.69 2k0f h PHE 85 Cb 1.30 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 2k0f h PHE 85 CO 0.07 0.47 0.55 -0.09 -2.23 0.00 0.00 178.31 177.09 2k0f h ARG 86 N 0.91 0.30 0.15 1.11 2.43 -1.19 0.76 114.38 118.85 2k0f h ARG 86 Ca 0.35 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2k0f h ARG 86 Cb 0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0f h ARG 86 CO -0.16 0.20 -0.07 0.28 -1.51 0.00 0.00 179.97 178.70 2k0f h VAL 87 N 0.31 0.96 -0.40 0.20 2.07 -1.40 -3.35 116.25 114.63 2k0f h VAL 87 Ca 0.41 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2k0f h VAL 87 Cb 1.14 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k0f h VAL 87 CO -0.12 0.11 -0.15 -0.26 0.02 0.00 0.00 177.57 177.18 2k0f h PHE 88 N -0.44 0.92 -3.39 1.57 0.04 -1.26 -3.42 116.94 110.97 2k0f h PHE 88 Ca -0.02 -0.22 -0.68 0.00 2.80 0.00 0.00 57.97 59.86 2k0f h PHE 88 Cb 0.34 -0.22 -0.17 0.00 2.20 0.00 0.00 35.95 38.10 2k0f h PHE 88 CO 0.00 0.96 0.03 0.34 -0.60 0.00 0.00 178.31 179.04 2k0f s ASP 89 N -6.48 6.24 -0.02 2.17 -1.08 0.17 -4.44 116.67 113.23 2k0f s ASP 89 Ca -0.12 -0.72 -0.12 0.00 -0.52 0.00 0.00 52.55 51.07 2k0f s ASP 89 Cb 0.10 -2.29 -0.07 0.00 -1.46 0.00 0.00 42.92 39.21 2k0f s ASP 89 CO 0.83 -0.81 0.61 0.50 0.52 0.00 0.00 175.17 176.82 2k0f h LYS 90 N 8.92 -0.41 -0.37 4.34 1.63 -1.82 -3.35 116.57 125.51 2k0f h LYS 90 Ca -0.27 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.40 2k0f h LYS 90 Cb 1.10 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2k0f h LYS 90 CO 0.92 -0.28 -0.40 0.38 -3.45 0.00 0.00 179.45 176.62 2k0f h ASP 91 N -0.84 0.97 0.00 4.20 3.04 -1.93 -3.48 116.42 118.37 2k0f h ASP 91 Ca -0.04 -0.45 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2k0f h ASP 91 Cb 0.33 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 2k0f h ASP 91 CO 0.07 1.24 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 2k0f n GLY 92 N 0.14 0.58 0.06 7.15 0.00 -1.26 -5.02 105.19 106.83 2k0f n GLY 92 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.18 0.00 1.61 6.94 -1.26 -4.96 115.26 117.77 2k0f n ASN 93 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 2k0f n ASN 93 Cb 0.00 1.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.72 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 1.44 1.61 3.07 4.83 0.00 -1.26 -5.10 105.19 109.78 2k0f n GLY 94 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.90 -0.24 -0.31 1.61 1.51 -1.26 -4.10 117.35 112.66 2k0f s TYR 95 Ca 0.00 0.58 -0.13 0.00 -1.01 0.00 0.00 57.07 56.51 2k0f s TYR 95 Cb 0.00 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.88 2k0f s TYR 95 CO 0.00 -0.13 0.26 0.42 -1.11 0.00 0.00 175.55 174.99 2k0f s ILE 96 N 0.36 5.26 0.84 2.71 1.01 -0.75 -4.71 121.20 125.92 2k0f s ILE 96 Ca -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2k0f s ILE 96 Cb -0.03 -3.66 0.17 0.00 0.01 0.00 0.00 42.46 38.95 2k0f s ILE 96 CO -0.01 0.10 1.15 -0.94 0.00 0.00 0.00 174.94 175.24 2k0f s SER 97 N 1.73 3.68 0.11 3.58 1.04 -1.26 -2.23 113.70 120.34 2k0f s SER 97 Ca 0.09 -0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 2k0f s SER 97 Cb -0.16 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 2k0f s SER 97 CO 0.11 -2.33 1.62 0.00 0.98 0.00 0.00 173.24 173.62 2k0f h ALA 98 N -1.06 0.40 -0.64 5.32 0.00 -1.95 -2.45 119.26 118.87 2k0f h ALA 98 Ca -0.39 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 98 Cb 1.24 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 98 CO 0.36 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.92 2k0f h ALA 99 N 0.92 0.85 0.03 0.00 0.00 -1.98 0.32 119.26 119.40 2k0f h ALA 99 Ca 0.10 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 99 Cb 0.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 99 CO -0.00 -0.17 -0.97 0.93 0.00 0.00 0.00 179.25 179.04 2k0f h GLU 100 N 0.45 0.27 0.66 0.00 5.08 -1.85 -0.76 114.58 118.42 2k0f h GLU 100 Ca 0.33 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 100 Cb 0.41 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 100 CO -0.31 1.05 -0.32 1.25 -1.00 0.00 0.00 179.01 179.68 2k0f h LEU 101 N 0.13 -0.75 -1.54 1.33 5.85 -1.05 -2.20 115.31 117.09 2k0f h LEU 101 Ca -0.07 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 101 Cb 1.63 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.79 2k0f h LEU 101 CO 0.16 -0.39 0.54 -0.09 -0.34 0.00 0.00 178.44 178.31 2k0f h ARG 102 N -1.13 0.42 0.91 1.25 2.43 -0.94 -1.67 114.38 115.65 2k0f h ARG 102 Ca -0.09 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 102 Cb 0.71 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2k0f h ARG 102 CO 0.15 0.28 -0.44 1.25 -1.51 0.00 0.00 179.97 179.70 2k0f h HIS 103 N 0.43 -1.13 -0.36 2.20 2.76 -1.22 -3.06 115.15 114.77 2k0f h HIS 103 Ca 0.41 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.41 2k0f h HIS 103 Cb 0.94 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 2k0f h HIS 103 CO -0.00 -0.70 -0.35 -0.24 -1.30 0.00 0.00 177.93 175.34 2k0f h VAL 104 N -1.31 1.28 -0.15 5.26 3.04 -0.66 0.13 116.25 123.85 2k0f h VAL 104 Ca -0.12 -1.51 -0.03 0.00 -1.01 0.00 0.00 66.70 64.03 2k0f h VAL 104 Cb 0.94 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 2k0f h VAL 104 CO 0.20 0.50 -0.03 0.24 -1.01 0.00 0.00 177.57 177.47 2k0f h MET 105 N 0.69 0.21 0.07 4.17 2.07 -1.54 0.18 114.93 120.79 2k0f h MET 105 Ca 0.07 -0.03 -0.25 0.00 -2.07 0.00 0.00 59.70 57.41 2k0f h MET 105 Cb 0.91 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.59 2k0f h MET 105 CO 0.08 0.26 -1.20 1.15 1.07 0.00 0.00 176.91 178.28 2k0f h THR 106 N 0.21 1.52 0.24 2.22 2.02 -0.90 0.97 112.91 119.19 2k0f h THR 106 Ca 0.05 -3.16 -0.01 0.00 0.77 0.00 0.00 66.41 64.06 2k0f h THR 106 Cb 0.20 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2k0f h THR 106 CO 0.01 0.90 -0.11 0.78 0.37 0.00 0.00 175.52 177.47 2k0f h ASN 107 N 0.04 -0.27 -0.88 4.18 2.35 -1.22 -3.30 115.58 116.48 2k0f h ASN 107 Ca -0.10 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2k0f h ASN 107 Cb 1.90 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 40.28 2k0f h ASN 107 CO 0.17 -0.12 0.54 0.25 -1.65 0.00 0.00 177.43 176.62 2k0f h LEU 108 N -0.40 0.83 0.00 1.61 7.12 -0.64 -3.38 115.31 120.45 2k0f h LEU 108 Ca -0.03 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2k0f h LEU 108 Cb 0.31 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2k0f h LEU 108 CO 0.05 0.52 0.00 0.61 -0.13 0.00 0.00 178.44 179.49 2k0f n GLY 109 N -1.33 1.94 3.80 3.75 0.00 -0.65 -4.67 105.19 108.03 2k0f n GLY 109 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.04 2.85 -0.66 1.61 0.41 0.25 -5.01 118.70 118.10 2k0f s GLU 110 Ca 0.00 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 53.48 2k0f s GLU 110 Cb 0.00 -2.52 0.38 0.00 -1.78 0.00 0.00 34.13 30.21 2k0f s GLU 110 CO 0.00 0.40 1.56 1.63 -0.49 0.00 0.00 175.26 178.36 2k0f n LYS 111 N -1.12 3.21 -2.53 1.61 5.02 -1.26 -4.15 118.16 118.94 2k0f n LYS 111 Ca -0.08 -4.08 -0.41 0.00 -2.02 0.00 0.00 58.31 51.72 2k0f n LYS 111 Cb 0.58 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 2k0f n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k0f s LEU 112 N -3.82 3.22 0.75 -0.35 2.96 -1.26 -4.98 118.68 115.20 2k0f s LEU 112 Ca 0.49 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2k0f s LEU 112 Cb 0.40 -2.67 0.07 0.00 0.50 0.00 0.00 46.19 44.49 2k0f s LEU 112 CO -0.29 -1.80 1.10 0.42 -1.32 0.00 0.00 176.35 174.45 2k0f s THR 113 N 5.79 2.24 0.18 3.68 -4.23 -1.26 -4.67 115.64 117.36 2k0f s THR 113 Ca 0.38 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 2k0f s THR 113 Cb -0.08 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2k0f s THR 113 CO 0.17 -0.04 1.66 0.44 -0.54 0.00 0.00 174.62 176.31 2k0f h ASP 114 N -0.82 -0.41 1.56 3.99 5.19 -2.00 0.35 116.42 124.28 2k0f h ASP 114 Ca -0.45 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2k0f h ASP 114 Cb 1.32 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.11 2k0f h ASP 114 CO 0.63 -0.15 0.00 -0.33 -3.12 0.00 0.00 179.24 176.28 2k0f h GLU 115 N 0.00 0.00 -0.10 3.56 3.07 -1.98 -2.12 114.58 117.02 2k0f h GLU 115 Ca 0.22 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.04 2k0f h GLU 115 Cb 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2k0f h GLU 115 CO -0.46 0.00 -0.11 0.93 -1.40 0.00 0.00 179.01 177.96 2k0f h GLU 116 N 0.00 0.25 0.15 2.33 5.08 -1.39 -2.84 114.58 118.16 2k0f h GLU 116 Ca 0.00 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 116 Cb 0.78 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 116 CO 0.00 0.68 -0.33 0.28 -1.00 0.00 0.00 179.01 178.64 2k0f h VAL 117 N -0.17 0.30 -0.06 3.13 2.07 -0.62 -0.32 116.25 120.58 2k0f h VAL 117 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2k0f h VAL 117 Cb 0.64 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2k0f h VAL 117 CO 0.03 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.91 2k0f h ASP 118 N -0.57 0.00 0.05 0.57 1.82 -1.55 0.28 116.42 117.01 2k0f h ASP 118 Ca 0.02 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.52 2k0f h ASP 118 Cb 0.59 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.61 2k0f h ASP 118 CO -0.18 0.00 -0.59 -0.08 -1.61 0.00 0.00 179.24 176.79 2k0f h GLU 119 N 0.00 0.32 -0.04 0.28 4.81 -1.20 -2.83 114.58 115.92 2k0f h GLU 119 Ca 0.03 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 119 Cb 0.17 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 119 CO -0.00 1.12 -0.01 1.98 -0.73 0.00 0.00 179.01 181.37 2k0f h MET 120 N -0.30 0.08 -0.68 1.92 4.05 -0.53 -1.06 114.93 118.41 2k0f h MET 120 Ca -0.09 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2k0f h MET 120 Cb 1.36 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.11 2k0f h MET 120 CO 0.11 0.41 0.45 0.82 0.23 0.00 0.00 176.91 178.94 2k0f h ILE 121 N -0.27 1.10 -0.29 1.77 1.08 -0.60 -2.56 117.51 117.74 2k0f h ILE 121 Ca 0.01 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2k0f h ILE 121 Cb 0.38 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 2k0f h ILE 121 CO 0.00 0.15 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.45 2k0f h ARG 122 N 0.82 0.48 -0.44 2.37 2.43 -1.32 0.29 114.38 118.99 2k0f h ARG 122 Ca 0.27 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 122 Cb 0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2k0f h ARG 122 CO -0.08 0.56 0.30 0.93 -1.51 0.00 0.00 179.97 180.17 2k0f h GLU 123 N 0.45 0.44 0.00 0.20 5.08 -0.75 -3.13 114.58 116.87 2k0f h GLU 123 Ca 0.09 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 123 Cb 0.41 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 123 CO 0.02 0.29 -2.28 0.00 -1.00 0.00 0.00 179.01 176.04 2k0f n ALA 124 N -2.50 1.53 -2.22 3.43 0.00 -0.94 -4.83 120.51 114.99 2k0f n ALA 124 Ca 0.05 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 2k0f n ALA 124 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -5.48 6.82 -0.04 0.00 2.15 0.96 -4.81 116.67 116.28 2k0f s ASP 125 Ca -0.14 2.02 -0.03 0.00 0.43 0.00 0.00 52.55 54.83 2k0f s ASP 125 Cb 0.06 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.71 -0.80 -0.05 -0.38 -0.17 0.00 0.00 175.17 174.48 2k0f n ILE 126 N 5.16 0.35 -0.19 4.11 2.08 -1.26 -4.70 119.36 124.90 2k0f n ILE 126 Ca 0.15 0.43 -0.02 0.00 0.56 0.00 0.00 62.75 63.86 2k0f n ILE 126 Cb 0.44 -1.72 0.08 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.24 0.35 0.00 4.38 3.04 -1.93 -3.47 116.42 118.54 2k0f h ASP 127 Ca 0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2k0f h ASP 127 Cb 0.14 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 2k0f h ASP 127 CO 0.00 0.23 0.00 0.61 -2.04 0.00 0.00 179.24 178.04 2k0f n GLY 128 N -1.27 1.87 0.24 7.15 0.00 -1.26 -5.00 105.19 106.91 2k0f n GLY 128 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 0.67 0.00 1.61 3.04 -1.96 -3.46 116.42 116.32 2k0f h ASP 129 Ca 0.00 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2k0f h ASP 129 Cb 0.00 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.10 2k0f h ASP 129 CO 0.00 0.95 0.00 0.61 -2.04 0.00 0.00 179.24 178.76 2k0f n GLY 130 N -0.11 0.89 3.26 7.15 0.00 -1.26 -5.08 105.19 110.04 2k0f n GLY 130 Ca -0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.42 2.10 -0.38 1.61 -1.52 -1.26 -4.51 119.66 115.27 2k0f s GLN 131 Ca 0.00 -0.85 -0.14 0.00 -1.95 0.00 0.00 55.36 52.41 2k0f s GLN 131 Cb 0.00 -1.94 0.01 0.00 -0.22 0.00 0.00 33.01 30.86 2k0f s GLN 131 CO 0.00 0.46 0.29 0.08 -0.25 0.00 0.00 175.29 175.87 2k0f s VAL 132 N -0.42 5.26 0.61 1.09 1.01 -0.95 -4.64 120.40 122.37 2k0f s VAL 132 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2k0f s VAL 132 Cb -0.11 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.51 2k0f s VAL 132 CO 0.01 -0.20 0.85 0.54 0.00 0.00 0.00 175.10 176.29 2k0f s ASN 133 N 1.70 4.88 0.09 3.32 2.20 -1.26 -1.82 114.94 124.06 2k0f s ASN 133 Ca 0.06 -0.60 -0.31 0.00 -0.94 0.00 0.00 52.86 51.07 2k0f s ASN 133 Cb -0.18 0.06 -0.14 0.00 -2.00 0.00 0.00 41.25 38.98 2k0f s ASN 133 CO 0.10 -1.47 1.62 0.22 -2.94 0.00 0.00 177.10 174.63 2k0f h TYR 134 N -0.04 -0.87 -0.86 1.54 3.20 -1.98 -2.26 116.97 115.69 2k0f h TYR 134 Ca -0.33 0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.72 2k0f h TYR 134 Cb 1.28 0.33 -0.11 0.00 1.54 0.00 0.00 36.73 39.77 2k0f h TYR 134 CO 0.20 -0.47 0.40 0.93 -1.64 0.00 0.00 178.16 177.57 2k0f h GLU 135 N -0.72 0.47 0.00 1.82 3.07 -1.96 0.13 114.58 117.39 2k0f h GLU 135 Ca -0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 135 Cb 0.63 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2k0f h GLU 135 CO -0.03 0.31 -0.05 0.93 -1.40 0.00 0.00 179.01 178.77 2k0f h GLU 136 N 0.49 0.00 -0.03 2.33 5.08 -1.85 -1.18 114.58 119.42 2k0f h GLU 136 Ca 0.51 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.79 2k0f h GLU 136 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 136 CO -0.45 0.05 -0.29 0.35 -1.00 0.00 0.00 179.01 177.67 2k0f h PHE 137 N 0.00 0.35 -0.75 4.33 3.04 -0.61 -2.69 116.94 120.61 2k0f h PHE 137 Ca -0.00 -0.17 0.05 0.00 3.98 0.00 0.00 57.97 61.83 2k0f h PHE 137 Cb 0.14 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 2k0f h PHE 137 CO 0.00 0.93 0.45 0.28 -2.02 0.00 0.00 178.31 177.95 2k0f h VAL 138 N -0.32 1.03 0.00 1.41 2.07 -0.35 -0.64 116.25 119.44 2k0f h VAL 138 Ca -0.03 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 2k0f h VAL 138 Cb 0.99 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 138 CO 0.06 0.15 -0.45 1.56 0.02 0.00 0.00 177.57 178.92 2k0f h GLN 139 N 0.84 0.00 0.19 1.57 4.20 -1.35 -1.48 115.11 119.08 2k0f h GLN 139 Ca 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2k0f h GLN 139 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2k0f h GLN 139 CO -0.16 0.45 -0.09 1.98 -0.67 0.00 0.00 178.83 180.33 2k0f h MET 140 N 0.00 -0.25 0.00 1.46 4.05 -1.07 -3.26 114.93 115.86 2k0f h MET 140 Ca -0.00 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 140 Cb 1.30 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.16 2k0f h MET 140 CO 0.06 0.14 -0.00 0.52 0.23 0.00 0.00 176.91 177.86 2k0f h MET 141 N -0.88 0.00 -0.02 0.39 2.86 -1.16 -3.51 114.93 112.61 2k0f h MET 141 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k0f h MET 141 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 141 CO 0.04 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.27