#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 0.47 -0.28 -0.78 4.11 -2.05 -2.93 114.58 113.12 2k0f h GLU 2 Ca 0.00 -0.43 -0.05 0.00 0.07 0.00 0.00 59.36 58.95 2k0f h GLU 2 Cb 0.00 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 2 CO 0.00 1.07 -0.06 0.93 0.07 0.00 0.00 179.01 181.02 2k0f h GLU 3 N 0.31 0.45 0.09 1.06 5.08 -2.05 -2.89 114.58 116.62 2k0f h GLU 3 Ca -0.05 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 3 Cb 1.42 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 3 CO 0.14 0.52 -0.05 1.96 -1.00 0.00 0.00 179.01 180.59 2k0f h GLN 4 N 0.42 -0.12 -0.97 2.33 4.20 -1.95 -1.59 115.11 117.43 2k0f h GLN 4 Ca 0.09 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.87 2k0f h GLN 4 Cb 0.38 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 2k0f h GLN 4 CO 0.02 0.40 0.63 -0.84 -0.67 0.00 0.00 178.83 178.37 2k0f h ILE 5 N -0.85 1.10 -0.54 2.54 3.07 -1.69 -0.99 117.51 120.14 2k0f h ILE 5 Ca -0.01 -0.39 0.09 0.00 1.55 0.00 0.00 64.86 66.10 2k0f h ILE 5 Cb 0.58 -0.15 -0.07 0.00 -0.27 0.00 0.00 36.82 36.90 2k0f h ILE 5 CO 0.02 0.21 0.13 0.00 -1.05 0.00 0.00 178.15 177.46 2k0f h ALA 6 N 1.47 0.64 0.00 0.16 0.00 -1.53 -1.81 119.26 118.18 2k0f h ALA 6 Ca 0.41 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2k0f h ALA 6 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 6 CO -0.16 -0.29 -0.11 0.93 0.00 0.00 0.00 179.25 179.63 2k0f h GLU 7 N 0.27 0.00 0.00 0.00 5.08 -0.85 -2.79 114.58 116.29 2k0f h GLU 7 Ca 0.28 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 7 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 7 CO -0.35 0.00 -0.40 0.74 -1.00 0.00 0.00 179.01 178.01 2k0f h PHE 8 N 0.00 0.00 -0.69 4.33 0.04 -1.20 -3.25 116.94 116.17 2k0f h PHE 8 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2k0f h PHE 8 Cb 0.92 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 2k0f h PHE 8 CO 0.00 0.40 0.40 -0.22 -0.60 0.00 0.00 178.31 178.29 2k0f h LYS 9 N 0.00 0.94 -0.52 1.51 3.64 -1.04 -1.93 116.57 119.17 2k0f h LYS 9 Ca -0.00 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2k0f h LYS 9 Cb 1.24 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2k0f h LYS 9 CO 0.05 0.67 0.05 0.93 -2.27 0.00 0.00 179.45 178.88 2k0f h GLU 10 N 0.95 0.88 -0.29 1.90 5.08 -1.61 -3.20 114.58 118.30 2k0f h GLU 10 Ca 0.25 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 10 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k0f h GLU 10 CO -0.04 0.88 -0.40 0.00 -1.00 0.00 0.00 179.01 178.45 2k0f h ALA 11 N 0.96 0.76 -0.52 3.43 0.00 -1.53 -2.88 119.26 119.48 2k0f h ALA 11 Ca 0.15 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 11 Cb 0.45 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 11 CO 0.02 0.66 0.19 0.35 0.00 0.00 0.00 179.25 180.46 2k0f h PHE 12 N 0.56 0.33 0.00 0.00 3.04 -1.35 -3.00 116.94 116.53 2k0f h PHE 12 Ca 0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2k0f h PHE 12 Cb 0.93 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.37 2k0f h PHE 12 CO 0.04 0.10 0.00 0.77 -2.02 0.00 0.00 178.31 177.21 2k0f h SER 13 N 0.37 0.00 0.80 0.41 0.02 -1.59 -0.22 113.55 113.35 2k0f h SER 13 Ca 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 13 Cb 0.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.83 2k0f h SER 13 CO -0.26 0.00 -0.38 -0.07 -1.14 0.00 0.00 176.83 174.98 2k0f h LEU 14 N 0.00 -0.91 -0.09 5.07 3.38 -1.62 -3.37 115.31 117.78 2k0f h LEU 14 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2k0f h LEU 14 Cb 0.06 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k0f h LEU 14 CO 0.00 -0.63 -0.23 -0.26 0.09 0.00 0.00 178.44 177.41 2k0f h PHE 15 N -1.11 0.39 -3.38 1.13 0.04 -1.28 -3.46 116.94 109.28 2k0f h PHE 15 Ca -0.11 -0.15 -0.55 0.00 2.80 0.00 0.00 57.97 59.95 2k0f h PHE 15 Cb 0.83 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 2k0f h PHE 15 CO -0.01 0.84 0.18 0.34 -0.60 0.00 0.00 178.31 179.05 2k0f s ASP 16 N -6.24 7.10 0.02 2.17 2.15 -0.24 -4.06 116.67 117.56 2k0f s ASP 16 Ca -0.14 1.33 -0.11 0.00 0.43 0.00 0.00 52.55 54.05 2k0f s ASP 16 Cb 0.04 -2.46 -0.32 0.00 -0.30 0.00 0.00 42.92 39.88 2k0f s ASP 16 CO 0.76 -0.16 0.94 0.50 -0.17 0.00 0.00 175.17 177.04 2k0f h LYS 17 N 6.78 0.41 0.22 4.34 1.63 -1.88 -3.34 116.57 124.74 2k0f h LYS 17 Ca -0.41 -0.71 -0.01 0.00 -0.85 0.00 0.00 60.65 58.67 2k0f h LYS 17 Cb 1.20 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2k0f h LYS 17 CO 0.75 1.32 -0.10 -0.44 -3.45 0.00 0.00 179.45 177.53 2k0f h ASP 18 N 0.11 -0.25 -3.84 4.20 3.32 -1.94 -3.49 116.42 114.54 2k0f h ASP 18 Ca -0.25 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.36 2k0f h ASP 18 Cb 2.10 0.06 0.09 0.00 0.22 0.00 0.00 39.33 41.79 2k0f h ASP 18 CO 0.23 0.26 -0.39 0.61 -1.72 0.00 0.00 179.24 178.23 2k0f n GLY 19 N 0.45 0.04 0.00 2.75 0.00 -1.25 -5.07 105.19 102.11 2k0f n GLY 19 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 0.00 0.00 1.61 5.68 -1.26 -5.05 116.55 115.46 2k0f n ASP 20 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2k0f n ASP 20 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 2.82 0.19 2.83 6.12 0.00 -1.26 -5.11 105.19 110.79 2k0f n GLY 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.60 -0.43 2.61 -4.23 -1.26 -2.39 115.64 110.53 2k0f s THR 22 Ca 0.00 -0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 2k0f s THR 22 Cb 0.00 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 73.18 2k0f s THR 22 CO 0.00 0.29 0.45 -0.63 -0.54 0.00 0.00 174.62 174.19 2k0f s ILE 23 N 1.69 5.08 0.95 2.99 1.01 0.01 -4.95 121.20 127.98 2k0f s ILE 23 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2k0f s ILE 23 Cb -0.13 -4.07 0.16 0.00 0.01 0.00 0.00 42.46 38.44 2k0f s ILE 23 CO -0.05 -0.47 1.10 0.42 0.00 0.00 0.00 174.94 175.95 2k0f s THR 24 N 2.15 2.19 0.15 2.92 -4.23 -1.26 -1.86 115.64 115.70 2k0f s THR 24 Ca 0.12 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 24 Cb -0.18 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.08 2k0f s THR 24 CO 0.13 -0.08 1.65 0.71 -0.54 0.00 0.00 174.62 176.49 2k0f h THR 25 N -1.71 0.51 -0.32 3.99 1.35 -1.97 -1.85 112.91 112.92 2k0f h THR 25 Ca -0.52 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.41 2k0f h THR 25 Cb 1.32 0.51 -0.08 0.00 -1.73 0.00 0.00 68.15 68.17 2k0f h THR 25 CO 0.58 0.00 -0.29 0.11 -0.25 0.00 0.00 175.52 175.67 2k0f h LYS 26 N -0.14 -0.25 -0.26 4.72 1.57 -1.97 0.28 116.57 120.52 2k0f h LYS 26 Ca 0.15 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2k0f h LYS 26 Cb 0.37 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2k0f h LYS 26 CO -0.37 -0.17 -0.20 0.93 -0.57 0.00 0.00 179.45 179.07 2k0f h GLU 27 N -0.26 0.60 -0.13 3.15 5.08 -1.86 -1.53 114.58 119.63 2k0f h GLU 27 Ca 0.16 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 27 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 27 CO -0.47 0.88 -0.37 1.25 -1.00 0.00 0.00 179.01 179.31 2k0f h LEU 28 N 0.32 0.28 -0.82 1.33 5.85 -1.16 0.14 115.31 121.25 2k0f h LEU 28 Ca 0.05 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2k0f h LEU 28 Cb 0.75 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2k0f h LEU 28 CO 0.05 0.63 -0.10 1.23 -0.34 0.00 0.00 178.44 179.92 2k0f h GLY 29 N 1.14 0.84 0.89 3.75 0.00 -0.44 -3.34 103.07 105.92 2k0f h GLY 29 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2k0f h GLY 29 CO 0.06 0.58 0.05 -0.84 0.00 0.00 0.00 176.54 176.39 2k0f h THR 30 N 0.71 1.13 0.00 4.70 2.02 0.36 -2.82 112.91 119.01 2k0f h THR 30 Ca 0.12 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 2k0f h THR 30 Cb 0.58 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2k0f h THR 30 CO 0.04 0.11 -0.27 1.62 0.37 0.00 0.00 175.52 177.39 2k0f h VAL 31 N 0.04 0.94 -0.09 3.16 3.04 -1.65 0.31 116.25 122.01 2k0f h VAL 31 Ca 0.04 -1.00 -0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2k0f h VAL 31 Cb 0.13 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2k0f h VAL 31 CO -0.00 0.26 0.05 0.24 -1.01 0.00 0.00 177.57 177.10 2k0f h MET 32 N 0.00 0.12 -0.26 4.17 2.86 -1.66 -2.95 114.93 117.22 2k0f h MET 32 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2k0f h MET 32 CO 0.03 0.18 0.09 -0.09 1.06 0.00 0.00 176.91 178.19 2k0f h ARG 33 N 0.03 0.39 -0.89 1.72 9.65 -1.03 0.57 114.38 124.82 2k0f h ARG 33 Ca 0.03 -0.08 0.24 0.00 -1.10 0.00 0.00 59.98 59.07 2k0f h ARG 33 Cb 0.10 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 2k0f h ARG 33 CO -0.00 0.44 0.62 1.03 2.80 0.00 0.00 179.97 184.86 2k0f h SER 34 N 0.26 0.14 0.25 -3.80 0.87 -1.01 -1.28 113.55 108.97 2k0f h SER 34 Ca 0.08 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2k0f h SER 34 Cb 0.20 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2k0f h SER 34 CO -0.01 0.05 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.16 2k0f h LEU 35 N 0.14 -0.28 0.00 2.23 3.38 -1.33 -3.45 115.31 116.00 2k0f h LEU 35 Ca 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2k0f h LEU 35 Cb 1.52 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2k0f h LEU 35 CO -0.07 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2k0f n GLY 36 N 0.83 0.34 2.99 0.83 0.00 -0.30 -5.05 105.19 104.82 2k0f n GLY 36 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.70 -0.56 1.61 -0.21 0.04 -4.97 119.66 116.26 2k0f s GLN 37 Ca 0.00 -0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.15 2k0f s GLN 37 Cb 0.00 -0.67 0.14 0.00 1.00 0.00 0.00 33.01 33.48 2k0f s GLN 37 CO 0.00 0.13 0.32 -0.80 -2.12 0.00 0.00 175.29 172.82 2k0f s ASN 38 N 0.00 4.54 0.32 5.90 0.01 -1.26 -2.42 114.94 122.03 2k0f s ASN 38 Ca 0.00 -3.10 -0.27 0.00 -0.71 0.00 0.00 52.86 48.78 2k0f s ASN 38 Cb -0.05 -1.68 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 2k0f s ASN 38 CO -0.00 -0.24 1.03 -2.84 -1.51 0.00 0.00 177.10 173.55 2k0f s PRO 39 N -0.41 4.51 0.20 -0.60 0.02 -1.26 -4.97 135.00 132.49 2k0f s PRO 39 Ca 0.18 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.48 2k0f s PRO 39 Cb -0.23 -2.93 -0.09 0.00 0.02 0.00 0.00 34.50 31.28 2k0f s PRO 39 CO -0.02 0.15 1.38 0.99 -0.33 0.00 0.00 177.00 179.17 2k0f s THR 40 N -1.40 3.00 0.08 0.99 2.01 -1.26 -4.93 115.64 114.14 2k0f s THR 40 Ca 0.49 0.81 0.06 0.00 0.31 0.00 0.00 61.69 63.36 2k0f s THR 40 Cb -0.26 -3.52 -0.23 0.00 0.01 0.00 0.00 72.50 68.51 2k0f s THR 40 CO 0.32 0.11 1.15 -0.08 -0.69 0.00 0.00 174.62 175.44 2k0f h GLU 41 N 5.50 0.05 -0.72 4.92 4.81 -1.98 -1.40 114.58 125.75 2k0f h GLU 41 Ca -0.45 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 41 Cb 1.21 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 2k0f h GLU 41 CO 0.79 0.96 0.40 0.00 -0.73 0.00 0.00 179.01 180.43 2k0f h ALA 42 N 0.91 1.00 -0.07 2.92 0.00 -1.99 -0.91 119.26 121.12 2k0f h ALA 42 Ca -0.08 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 42 Cb 1.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2k0f h ALA 42 CO 0.13 0.04 -0.81 0.93 0.00 0.00 0.00 179.25 179.55 2k0f h GLU 43 N 0.70 0.50 -0.13 0.00 5.08 -1.94 -2.07 114.58 116.72 2k0f h GLU 43 Ca 0.34 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 43 Cb 0.28 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 43 CO -0.22 1.08 -0.25 1.25 -1.00 0.00 0.00 179.01 179.87 2k0f h LEU 44 N 0.32 0.22 0.05 1.33 5.85 -0.68 -1.79 115.31 120.62 2k0f h LEU 44 Ca -0.05 -0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.32 2k0f h LEU 44 Cb 1.42 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 42.41 2k0f h LEU 44 CO 0.15 0.48 -1.14 1.56 -0.34 0.00 0.00 178.44 179.15 2k0f h GLN 45 N 0.21 0.67 -0.97 1.25 4.20 -1.15 -1.27 115.11 118.04 2k0f h GLN 45 Ca 0.03 -0.80 0.11 0.00 0.06 0.00 0.00 58.65 58.06 2k0f h GLN 45 Cb 0.56 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.51 2k0f h GLN 45 CO 0.04 1.35 0.62 0.22 -0.67 0.00 0.00 178.83 180.39 2k0f h ASP 46 N 0.34 0.89 -0.39 1.46 3.58 -1.26 0.14 116.42 121.17 2k0f h ASP 46 Ca -0.16 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 2k0f h ASP 46 Cb 1.80 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.70 2k0f h ASP 46 CO 0.22 0.49 -0.19 -0.03 -2.88 0.00 0.00 179.24 176.85 2k0f h MET 47 N 0.96 0.83 0.44 0.28 4.05 -1.22 -0.23 114.93 120.03 2k0f h MET 47 Ca 0.47 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 47 Cb 0.47 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2k0f h MET 47 CO -0.23 0.99 -0.29 0.82 0.23 0.00 0.00 176.91 178.43 2k0f h ILE 48 N 0.63 0.39 0.00 1.77 2.04 -0.92 -3.11 117.51 118.31 2k0f h ILE 48 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2k0f h ILE 48 Cb 0.75 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2k0f h ILE 48 CO 0.06 0.00 -0.18 0.78 0.00 0.00 0.00 178.15 178.80 2k0f h ASN 49 N -0.71 0.00 -0.31 1.72 2.35 -0.39 -0.85 115.58 117.38 2k0f h ASN 49 Ca -0.05 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 2k0f h ASN 49 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2k0f h ASN 49 CO 0.03 0.18 -0.38 -0.08 -1.65 0.00 0.00 177.43 175.54 2k0f h GLU 50 N 0.00 0.86 -0.02 0.81 4.81 -1.03 -3.28 114.58 116.72 2k0f h GLU 50 Ca -0.00 -0.44 -0.25 0.00 -0.13 0.00 0.00 59.36 58.53 2k0f h GLU 50 Cb 0.45 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 50 CO 0.02 1.08 -0.99 0.28 -0.73 0.00 0.00 179.01 178.68 2k0f h VAL 51 N 0.70 1.30 -3.75 0.32 2.07 -1.41 -3.48 116.25 112.01 2k0f h VAL 51 Ca 0.06 -2.24 -0.57 0.00 0.82 0.00 0.00 66.70 64.77 2k0f h VAL 51 Cb 0.95 2.32 0.16 0.00 -1.52 0.00 0.00 31.29 33.21 2k0f h VAL 51 CO 0.09 0.69 0.27 -0.67 0.02 0.00 0.00 177.57 177.97 2k0f n ASP 52 N -3.85 1.31 -0.03 0.57 2.03 -0.36 -4.93 116.55 111.30 2k0f n ASP 52 Ca -0.10 0.83 -0.04 0.00 0.52 0.00 0.00 54.79 56.01 2k0f n ASP 52 Cb 0.85 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.79 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 -1.68 1.68 0.16 -1.67 0.00 -1.26 -4.93 120.51 112.81 2k0f n ALA 53 Ca 0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 2k0f n ALA 53 Cb 0.47 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.47 -0.34 0.00 0.00 3.04 -1.96 -3.48 116.42 113.21 2k0f h ASP 54 Ca 0.00 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 54 Cb 0.47 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 2k0f h ASP 54 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 2k0f n GLY 55 N -0.63 1.61 0.19 7.15 0.00 -1.26 -5.03 105.19 107.22 2k0f n GLY 55 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 7.08 -2.01 -3.47 115.58 118.79 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.94 0.70 3.46 9.14 0.00 -1.26 -5.08 105.19 113.09 2k0f n GLY 57 Ca 0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 2.53 -0.34 2.61 -4.23 -1.26 -4.63 115.64 108.31 2k0f s THR 58 Ca 0.00 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.14 2k0f s THR 58 Cb 0.00 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2k0f s THR 58 CO 0.00 -0.21 0.93 -0.63 -0.54 0.00 0.00 174.62 174.17 2k0f s ILE 59 N -1.96 4.62 0.68 2.99 1.01 -0.78 -4.87 121.20 122.88 2k0f s ILE 59 Ca 0.24 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.26 2k0f s ILE 59 Cb -0.07 -4.31 0.11 0.00 0.01 0.00 0.00 42.46 38.20 2k0f s ILE 59 CO 0.12 -0.45 0.94 -1.81 0.00 0.00 0.00 174.94 173.74 2k0f s ASP 60 N 1.75 4.56 0.03 3.58 1.11 -1.26 -0.81 116.67 125.63 2k0f s ASP 60 Ca 0.39 -0.47 -0.28 0.00 0.18 0.00 0.00 52.55 52.37 2k0f s ASP 60 Cb -0.13 0.03 -0.17 0.00 1.07 0.00 0.00 42.92 43.72 2k0f s ASP 60 CO 0.16 -1.71 1.34 0.15 1.18 0.00 0.00 175.17 176.29 2k0f h PHE 61 N -0.33 -0.63 0.00 4.23 3.57 -1.87 0.13 116.94 122.03 2k0f h PHE 61 Ca -0.35 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2k0f h PHE 61 Cb 1.27 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.22 2k0f h PHE 61 CO -0.03 -0.31 0.00 -1.35 -2.23 0.00 0.00 178.31 174.39 2k0f h PRO 62 N -0.90 0.00 0.04 6.41 0.11 -1.96 -0.56 132.00 135.14 2k0f h PRO 62 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 2k0f h PRO 62 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2k0f h PRO 62 CO 0.11 0.00 -0.87 0.93 -0.21 0.00 0.00 178.00 177.97 2k0f h GLU 63 N 0.00 0.08 -0.20 1.05 5.08 -1.83 -2.90 114.58 115.86 2k0f h GLU 63 Ca 0.00 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 63 Cb 0.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 63 CO 0.00 1.06 -0.08 0.35 -1.00 0.00 0.00 179.01 179.34 2k0f h PHE 64 N -0.80 -0.18 -0.92 4.33 3.57 -0.66 0.13 116.94 122.41 2k0f h PHE 64 Ca -0.21 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 64 Cb 1.34 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 40.10 2k0f h PHE 64 CO 0.17 -0.13 0.54 -0.07 -2.23 0.00 0.00 178.31 176.59 2k0f h LEU 65 N -0.05 0.73 -0.27 0.59 3.38 -1.20 0.27 115.31 118.76 2k0f h LEU 65 Ca 0.10 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 65 Cb 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k0f h LEU 65 CO -0.23 0.34 -0.44 0.74 0.09 0.00 0.00 178.44 178.94 2k0f h THR 66 N 0.79 1.30 -0.51 0.22 2.02 -1.11 -0.48 112.91 115.14 2k0f h THR 66 Ca 0.48 -1.63 0.05 0.00 0.77 0.00 0.00 66.41 66.08 2k0f h THR 66 Cb 0.60 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 2k0f h THR 66 CO -0.32 0.52 0.25 -0.03 0.37 0.00 0.00 175.52 176.32 2k0f h MET 67 N 0.52 0.47 0.05 6.66 -1.53 0.83 -3.01 114.93 118.92 2k0f h MET 67 Ca 0.02 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 2k0f h MET 67 Cb 1.04 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.98 2k0f h MET 67 CO 0.10 0.31 -0.02 0.52 0.14 0.00 0.00 176.91 177.96 2k0f h MET 68 N 0.49 -0.07 0.00 0.39 2.07 -0.55 -3.39 114.93 113.87 2k0f h MET 68 Ca 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 2k0f h MET 68 Cb 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 2k0f h MET 68 CO -0.16 0.56 -0.54 0.00 1.07 0.00 0.00 176.91 177.83 2k0f n ALA 69 N -2.57 2.91 -1.38 6.32 0.00 -0.19 -4.89 120.51 120.70 2k0f n ALA 69 Ca -0.08 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 2k0f n ALA 69 Cb 0.32 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.64 2k0f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k0f s ARG 70 N -3.14 2.50 -0.08 0.00 1.70 -1.14 -5.03 118.95 113.76 2k0f s ARG 70 Ca 0.07 1.34 -0.23 0.00 -0.47 0.00 0.00 55.73 56.44 2k0f s ARG 70 Cb 0.14 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.57 2k0f s ARG 70 CO 0.70 -1.48 0.69 0.15 -1.08 0.00 0.00 175.30 174.29 2k0f s LYS 71 N -4.39 4.42 0.48 3.89 1.02 -1.26 -5.06 119.74 118.83 2k0f s LYS 71 Ca 0.65 0.85 0.08 0.00 0.02 0.00 0.00 55.97 57.58 2k0f s LYS 71 Cb -0.20 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 2k0f s LYS 71 CO 0.47 0.04 0.58 -1.64 -0.92 0.00 0.00 175.35 173.88 2k0f s MET 72 N 0.89 2.55 0.26 1.68 -1.94 -1.26 -5.14 119.30 116.34 2k0f s MET 72 Ca 0.37 -1.51 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 2k0f s MET 72 Cb -0.17 -2.58 0.05 0.00 2.01 0.00 0.00 34.83 34.14 2k0f s MET 72 CO 0.17 -0.47 0.35 0.36 -0.01 0.00 0.00 175.02 175.43 2k0f n LYS 73 N -1.89 0.27 -0.23 2.03 2.85 -1.26 -4.80 118.16 115.13 2k0f n LYS 73 Ca 0.08 -0.89 -0.07 0.00 -1.05 0.00 0.00 58.31 56.38 2k0f n LYS 73 Cb 0.61 -0.25 0.03 0.00 -0.65 0.00 0.00 35.03 34.77 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N -0.25 0.89 -0.10 -5.58 3.32 -2.00 -1.75 116.42 110.95 2k0f h ASP 74 Ca -0.12 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 2k0f h ASP 74 Cb 0.41 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2k0f h ASP 74 CO 0.12 0.84 -0.08 0.71 -1.72 0.00 0.00 179.24 179.11 2k0f h THR 75 N 0.89 1.35 0.00 0.35 1.35 -2.00 -2.39 112.91 112.46 2k0f h THR 75 Ca 0.21 -1.18 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 2k0f h THR 75 Cb 0.24 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2k0f h THR 75 CO -0.01 0.33 -0.15 0.44 -0.25 0.00 0.00 175.52 175.88 2k0f h ASP 76 N -0.16 0.00 1.02 5.36 3.32 -1.91 -2.50 116.42 121.55 2k0f h ASP 76 Ca 0.02 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 2k0f h ASP 76 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2k0f h ASP 76 CO 0.02 0.15 -1.04 0.28 -1.72 0.00 0.00 179.24 176.93 2k0f h SER 77 N 0.00 0.00 0.10 6.45 0.02 -1.27 -2.33 113.55 116.52 2k0f h SER 77 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k0f h SER 77 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k0f h SER 77 CO 0.02 0.65 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.23 2k0f h GLU 78 N 0.00 -0.13 -0.31 3.45 4.81 -1.15 -3.26 114.58 118.00 2k0f h GLU 78 Ca -0.09 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 78 Cb 1.58 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 2k0f h GLU 78 CO 0.07 0.39 0.30 0.93 -0.73 0.00 0.00 179.01 179.97 2k0f h GLU 79 N -0.87 0.00 0.10 1.92 5.08 -1.57 -2.98 114.58 116.26 2k0f h GLU 79 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 79 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 79 CO 0.02 0.00 -0.05 1.49 -1.00 0.00 0.00 179.01 179.47 2k0f h GLU 80 N 0.00 -0.13 -0.25 2.33 4.81 -1.48 -2.87 114.58 117.00 2k0f h GLU 80 Ca 0.15 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 80 Cb 0.75 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2k0f h GLU 80 CO -0.00 -0.08 -0.16 0.82 -0.73 0.00 0.00 179.01 178.86 2k0f h ILE 81 N -0.14 1.23 0.14 2.32 1.08 -1.57 -2.17 117.51 118.40 2k0f h ILE 81 Ca -0.01 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 2k0f h ILE 81 Cb 0.11 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2k0f h ILE 81 CO 0.02 0.33 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.66 2k0f h ARG 82 N 0.39 -0.18 -0.04 2.37 1.12 -1.52 -1.00 114.38 115.52 2k0f h ARG 82 Ca 0.07 0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.82 2k0f h ARG 82 Cb 0.52 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 2k0f h ARG 82 CO 0.03 0.06 -0.57 0.93 -3.11 0.00 0.00 179.97 177.31 2k0f h GLU 83 N -0.40 0.14 0.16 0.20 4.39 -1.30 -2.60 114.58 115.17 2k0f h GLU 83 Ca -0.02 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 83 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2k0f h GLU 83 CO 0.03 0.67 -0.28 0.00 -1.16 0.00 0.00 179.01 178.28 2k0f h ALA 84 N 1.31 -0.50 -0.76 3.43 0.00 -1.23 -1.90 119.26 119.61 2k0f h ALA 84 Ca -0.00 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2k0f h ALA 84 Cb 1.04 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 2k0f h ALA 84 CO 0.08 -0.83 -0.26 0.35 0.00 0.00 0.00 179.25 178.60 2k0f h PHE 85 N -0.52 -0.63 0.00 0.00 3.04 -1.02 -3.06 116.94 114.76 2k0f h PHE 85 Ca 0.02 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2k0f h PHE 85 Cb 0.52 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 2k0f h PHE 85 CO -0.23 -0.36 -0.03 0.00 -2.02 0.00 0.00 178.31 175.67 2k0f h ARG 86 N -0.04 0.00 -0.07 1.11 3.08 -0.98 0.07 114.38 117.54 2k0f h ARG 86 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 2k0f h ARG 86 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k0f h ARG 86 CO -0.80 0.03 0.03 0.28 -1.07 0.00 0.00 179.97 178.44 2k0f h VAL 87 N 0.00 1.12 -0.02 2.04 2.07 -1.32 -3.31 116.25 116.83 2k0f h VAL 87 Ca -0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2k0f h VAL 87 Cb 0.67 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k0f h VAL 87 CO 0.00 0.11 -0.04 -0.26 0.02 0.00 0.00 177.57 177.40 2k0f h PHE 88 N -0.02 0.08 -3.21 1.57 0.04 -1.23 -3.44 116.94 110.73 2k0f h PHE 88 Ca 0.02 -0.03 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 2k0f h PHE 88 Cb 0.14 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2k0f h PHE 88 CO -0.03 0.59 0.60 0.34 -0.60 0.00 0.00 178.31 179.21 2k0f s ASP 89 N -5.83 7.19 0.00 2.17 2.15 -0.10 -4.77 116.67 117.48 2k0f s ASP 89 Ca -0.16 1.62 -0.15 0.00 0.43 0.00 0.00 52.55 54.29 2k0f s ASP 89 Cb 0.02 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 89 CO 0.69 -0.48 0.85 0.50 -0.17 0.00 0.00 175.17 176.56 2k0f h LYS 90 N 7.19 -0.52 0.05 4.34 3.64 -1.85 -3.39 116.57 126.03 2k0f h LYS 90 Ca -0.32 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2k0f h LYS 90 Cb 1.15 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k0f h LYS 90 CO 0.86 -0.35 -0.02 0.38 -2.27 0.00 0.00 179.45 178.05 2k0f h ASP 91 N -0.78 -0.06 0.00 4.20 3.04 -1.95 -3.50 116.42 117.38 2k0f h ASP 91 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2k0f h ASP 91 Cb 0.41 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 2k0f h ASP 91 CO 0.09 -0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2k0f n GLY 92 N 0.17 0.26 0.00 7.15 0.00 -1.26 -5.07 105.19 106.44 2k0f n GLY 92 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 2.27 0.00 1.61 6.94 -1.26 -5.00 115.26 119.82 2k0f n ASN 93 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.32 2k0f n ASN 93 Cb 0.00 1.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.62 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 1.76 1.08 2.84 4.83 0.00 -1.26 -5.08 105.19 109.36 2k0f n GLY 94 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.41 -0.40 1.61 2.02 -1.26 -4.10 117.35 114.63 2k0f s TYR 95 Ca 0.00 -0.91 -0.17 0.00 -0.37 0.00 0.00 57.07 55.62 2k0f s TYR 95 Cb 0.00 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2k0f s TYR 95 CO 0.00 -0.57 0.46 0.42 -1.57 0.00 0.00 175.55 174.28 2k0f s ILE 96 N 1.73 5.06 0.69 2.71 1.01 0.11 -4.86 121.20 127.64 2k0f s ILE 96 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2k0f s ILE 96 Cb -0.15 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2k0f s ILE 96 CO -0.07 -0.36 1.07 -0.94 0.00 0.00 0.00 174.94 174.64 2k0f s SER 97 N 1.81 5.54 0.45 3.58 1.04 -1.26 -1.32 113.70 123.53 2k0f s SER 97 Ca 0.14 1.34 0.15 0.00 0.48 0.00 0.00 55.95 58.07 2k0f s SER 97 Cb -0.16 -2.23 1.08 0.00 0.10 0.00 0.00 66.02 64.81 2k0f s SER 97 CO 0.14 -1.31 1.98 0.00 0.98 0.00 0.00 173.24 175.03 2k0f h ALA 98 N -0.63 2.07 -0.13 5.32 0.00 -1.95 0.27 119.26 124.21 2k0f h ALA 98 Ca -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 98 Cb 1.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.61 -0.20 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2k0f h ALA 99 N 1.71 0.18 0.23 0.00 0.00 -1.93 0.64 119.26 120.08 2k0f h ALA 99 Ca 0.27 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 99 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 99 CO -0.07 -0.05 -0.33 0.93 0.00 0.00 0.00 179.25 179.73 2k0f h GLU 100 N -0.08 -0.61 -0.45 0.00 5.08 -1.78 0.16 114.58 116.91 2k0f h GLU 100 Ca 0.03 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 100 Cb 0.50 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 100 CO 0.02 -0.41 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.53 2k0f h LEU 101 N -0.63 -0.23 0.16 1.33 3.38 -0.56 -0.34 115.31 118.41 2k0f h LEU 101 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2k0f h LEU 101 Cb 0.61 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k0f h LEU 101 CO -0.13 -0.08 -0.07 -0.09 0.09 0.00 0.00 178.44 178.16 2k0f h ARG 102 N 0.09 -0.20 -0.29 1.13 2.43 -0.37 -1.59 114.38 115.57 2k0f h ARG 102 Ca 0.22 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2k0f h ARG 102 Cb 0.33 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2k0f h ARG 102 CO -0.39 -0.12 -0.17 1.25 -1.51 0.00 0.00 179.97 179.03 2k0f h HIS 103 N -0.23 -0.42 0.43 2.20 2.76 -0.60 -1.22 115.15 118.06 2k0f h HIS 103 Ca -0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2k0f h HIS 103 Cb 0.18 0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2k0f h HIS 103 CO -0.06 -0.24 -0.20 0.28 -1.30 0.00 0.00 177.93 176.40 2k0f h VAL 104 N -0.14 0.54 -0.67 5.26 2.07 -0.96 0.62 116.25 122.97 2k0f h VAL 104 Ca 0.15 -0.39 0.13 0.00 0.82 0.00 0.00 66.70 67.41 2k0f h VAL 104 Cb 0.37 0.71 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 2k0f h VAL 104 CO -0.38 0.07 -0.23 0.24 0.02 0.00 0.00 177.57 177.29 2k0f h MET 105 N -0.81 -0.05 -0.43 1.57 2.07 -1.36 0.23 114.93 116.14 2k0f h MET 105 Ca -0.06 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.53 2k0f h MET 105 Cb 0.55 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 2k0f h MET 105 CO 0.10 -0.03 0.08 1.15 1.07 0.00 0.00 176.91 179.27 2k0f h THR 106 N -0.05 1.24 -0.63 2.22 2.02 -1.01 -2.37 112.91 114.32 2k0f h THR 106 Ca 0.30 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 2k0f h THR 106 Cb 0.53 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2k0f h THR 106 CO -0.71 0.30 0.30 0.78 0.37 0.00 0.00 175.52 176.56 2k0f h ASN 107 N 0.56 0.81 0.57 4.18 4.21 -0.28 -3.09 115.58 122.53 2k0f h ASN 107 Ca 0.13 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 2k0f h ASN 107 Cb 0.36 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 2k0f h ASN 107 CO 0.01 0.69 -0.49 0.25 -1.29 0.00 0.00 177.43 176.59 2k0f h LEU 108 N 0.89 -1.32 0.00 1.61 5.85 -0.57 -3.36 115.31 118.41 2k0f h LEU 108 Ca 0.22 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 108 Cb 0.10 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2k0f h LEU 108 CO -0.03 -0.68 0.00 0.61 -0.34 0.00 0.00 178.44 178.00 2k0f n GLY 109 N -1.57 0.10 3.75 3.75 0.00 -0.93 -4.94 105.19 105.35 2k0f n GLY 109 Ca -0.13 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.85 2.93 -0.88 1.61 0.41 -0.96 -4.98 118.70 115.98 2k0f s GLU 110 Ca 0.00 1.86 -0.03 0.00 -0.41 0.00 0.00 54.97 56.39 2k0f s GLU 110 Cb 0.00 -1.93 0.22 0.00 -1.78 0.00 0.00 34.13 30.64 2k0f s GLU 110 CO 0.00 -1.25 0.77 0.15 -0.49 0.00 0.00 175.26 174.44 2k0f s LYS 111 N -3.32 3.30 0.34 1.61 1.02 -1.26 -4.48 119.74 116.94 2k0f s LYS 111 Ca 0.78 -3.13 -0.21 0.00 0.02 0.00 0.00 55.97 53.43 2k0f s LYS 111 Cb -0.31 -4.02 -0.10 0.00 -0.52 0.00 0.00 37.83 32.88 2k0f s LYS 111 CO 0.34 -1.25 0.87 -0.51 -0.92 0.00 0.00 175.35 173.88 2k0f s LEU 112 N -1.09 4.17 0.49 3.17 1.43 -1.26 -5.08 118.68 120.51 2k0f s LEU 112 Ca 0.26 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 2k0f s LEU 112 Cb -0.10 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.04 2k0f s LEU 112 CO -0.10 -0.17 0.67 0.42 0.23 0.00 0.00 176.35 177.40 2k0f s THR 113 N -1.84 2.74 0.16 5.49 -4.23 -1.26 -5.01 115.64 111.69 2k0f s THR 113 Ca 0.53 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 60.02 2k0f s THR 113 Cb -0.14 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 70.90 2k0f s THR 113 CO 0.19 0.00 1.58 0.44 -0.54 0.00 0.00 174.62 176.29 2k0f h ASP 114 N 0.39 0.97 -0.58 3.99 5.19 -2.00 -2.78 116.42 121.60 2k0f h ASP 114 Ca -0.38 -0.35 -0.11 0.00 -0.62 0.00 0.00 57.03 55.57 2k0f h ASP 114 Cb 1.28 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 2k0f h ASP 114 CO 0.45 1.09 -0.06 -0.33 -3.12 0.00 0.00 179.24 177.27 2k0f h GLU 115 N 0.83 1.07 -0.51 3.56 5.08 -1.98 -0.63 114.58 122.01 2k0f h GLU 115 Ca 0.13 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 115 Cb 0.64 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 115 CO 0.04 1.07 0.03 1.49 -1.00 0.00 0.00 179.01 180.64 2k0f h GLU 116 N 0.96 0.87 0.18 2.33 4.81 -1.94 0.93 114.58 122.71 2k0f h GLU 116 Ca 0.16 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 116 Cb 0.63 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 116 CO 0.04 0.89 -0.52 0.28 -0.73 0.00 0.00 179.01 178.97 2k0f h VAL 117 N 0.74 0.01 -0.89 0.32 2.07 -1.36 0.27 116.25 117.42 2k0f h VAL 117 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 2k0f h VAL 117 Cb 0.48 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 2k0f h VAL 117 CO 0.02 0.00 -0.34 -0.67 0.02 0.00 0.00 177.57 176.60 2k0f n ASP 118 N -5.50 -0.56 -0.26 0.57 2.03 -0.25 -0.53 116.55 112.06 2k0f n ASP 118 Ca -0.09 1.54 -0.06 0.00 0.52 0.00 0.00 54.79 56.70 2k0f n ASP 118 Cb 0.42 -0.36 0.05 0.00 -0.72 0.00 0.00 41.12 40.51 2k0f n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k0f h GLU 119 N 0.00 1.04 -0.39 -0.67 4.81 -0.67 -1.50 114.58 117.21 2k0f h GLU 119 Ca 0.32 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 119 Cb 0.54 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 119 CO -0.88 0.83 -0.07 0.52 -0.73 0.00 0.00 179.01 178.68 2k0f h MET 120 N 1.00 0.74 -0.46 1.92 2.86 0.19 -0.88 114.93 120.30 2k0f h MET 120 Ca 0.24 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 120 Cb 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2k0f h MET 120 CO -0.03 0.87 -0.13 0.82 1.06 0.00 0.00 176.91 179.50 2k0f h ILE 121 N 0.55 1.27 -0.57 -1.22 1.08 -0.68 -1.86 117.51 116.08 2k0f h ILE 121 Ca 0.10 -1.26 -0.10 0.00 -0.39 0.00 0.00 64.86 63.22 2k0f h ILE 121 Cb 0.58 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 2k0f h ILE 121 CO 0.03 0.43 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.82 2k0f h ARG 122 N 0.73 1.01 0.30 2.37 2.43 -1.19 0.27 114.38 120.30 2k0f h ARG 122 Ca 0.11 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2k0f h ARG 122 Cb 0.68 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2k0f h ARG 122 CO 0.05 1.00 -0.14 1.49 -1.51 0.00 0.00 179.97 180.86 2k0f h GLU 123 N 0.92 -0.38 -0.02 0.20 4.81 -1.06 -3.36 114.58 115.69 2k0f h GLU 123 Ca 0.16 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 123 Cb 0.56 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 123 CO 0.03 -0.26 -0.10 0.00 -0.73 0.00 0.00 179.01 177.96 2k0f h ALA 124 N 0.31 0.04 -1.77 2.92 0.00 -1.23 -3.42 119.26 116.11 2k0f h ALA 124 Ca -0.04 -0.36 -0.71 0.00 0.00 0.00 0.00 54.91 53.79 2k0f h ALA 124 Cb 0.31 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 124 CO 0.07 -0.06 1.13 0.34 0.00 0.00 0.00 179.25 180.72 2k0f s ASP 125 N -6.03 6.84 0.20 0.00 2.15 0.95 -4.85 116.67 115.94 2k0f s ASP 125 Ca -0.16 -2.50 -0.10 0.00 0.43 0.00 0.00 52.55 50.23 2k0f s ASP 125 Cb 0.01 -2.41 0.14 0.00 -0.30 0.00 0.00 42.92 40.36 2k0f s ASP 125 CO 0.71 -0.92 1.80 -0.29 -0.17 0.00 0.00 175.17 176.30 2k0f h ILE 126 N 5.29 1.24 -0.64 4.11 2.10 -1.82 -2.68 117.51 125.10 2k0f h ILE 126 Ca 0.24 -0.64 0.10 0.00 1.08 0.00 0.00 64.86 65.64 2k0f h ILE 126 Cb 0.95 0.29 -0.04 0.00 -1.09 0.00 0.00 36.82 36.93 2k0f h ILE 126 CO 1.19 0.27 0.43 -2.24 -1.08 0.00 0.00 178.15 176.72 2k0f h ASP 127 N 1.04 0.41 0.00 2.19 2.03 -1.98 -3.48 116.42 116.63 2k0f h ASP 127 Ca 0.26 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2k0f h ASP 127 Cb 0.09 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2k0f h ASP 127 CO -0.03 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.03 2k0f n GLY 128 N -1.51 0.71 0.04 7.15 0.00 -1.01 -4.94 105.19 105.63 2k0f n GLY 128 Ca 0.11 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.81 0.46 -0.23 1.61 5.75 -1.26 -4.97 116.55 118.73 2k0f n ASP 129 Ca 0.00 -0.05 -0.03 0.00 -0.01 0.00 0.00 54.79 54.70 2k0f n ASP 129 Cb 0.00 1.19 -0.01 0.00 -1.03 0.00 0.00 41.12 41.27 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.29 0.45 3.79 6.12 0.00 -1.26 -5.00 105.19 110.58 2k0f n GLY 130 Ca -0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.70 3.66 -0.23 1.61 -0.21 -1.26 -3.53 119.66 118.00 2k0f s GLN 131 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 2k0f s GLN 131 Cb 0.00 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 2k0f s GLN 131 CO 0.00 0.58 0.08 0.08 -2.12 0.00 0.00 175.29 173.91 2k0f s VAL 132 N -0.47 4.54 0.24 1.09 1.01 -0.43 -4.92 120.40 121.47 2k0f s VAL 132 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2k0f s VAL 132 Cb -0.12 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.20 2k0f s VAL 132 CO 0.02 0.37 0.33 -0.46 0.00 0.00 0.00 175.10 175.36 2k0f n ASN 133 N 4.47 0.85 0.09 3.32 0.23 -1.26 -0.72 115.26 122.24 2k0f n ASN 133 Ca -0.16 -1.62 -0.16 0.00 -0.53 0.00 0.00 54.58 52.11 2k0f n ASN 133 Cb 0.52 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.02 -1.51 -0.71 -2.53 3.20 -1.99 -2.22 116.97 111.21 2k0f h TYR 134 Ca -0.11 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2k0f h TYR 134 Cb 0.51 0.65 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2k0f h TYR 134 CO 0.00 -0.58 0.45 1.49 -1.64 0.00 0.00 178.16 177.88 2k0f h GLU 135 N -0.71 0.95 -0.84 1.82 4.81 -1.97 -2.42 114.58 116.23 2k0f h GLU 135 Ca 0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 135 Cb 0.74 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 135 CO -0.32 0.65 0.43 0.93 -0.73 0.00 0.00 179.01 179.97 2k0f h GLU 136 N 0.97 1.20 -0.31 1.92 5.08 -1.95 0.97 114.58 122.46 2k0f h GLU 136 Ca 0.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 136 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2k0f h GLU 136 CO -0.05 0.91 0.12 0.35 -1.00 0.00 0.00 179.01 179.34 2k0f h PHE 137 N 1.19 0.47 0.72 4.33 3.57 -1.30 -0.99 116.94 124.93 2k0f h PHE 137 Ca 0.29 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 137 Cb 0.09 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.69 2k0f h PHE 137 CO 0.01 0.45 -0.35 0.28 -2.23 0.00 0.00 178.31 176.48 2k0f h VAL 138 N 0.35 0.07 -0.96 1.41 2.07 -1.17 -3.02 116.25 115.01 2k0f h VAL 138 Ca 0.10 -0.27 0.21 0.00 0.82 0.00 0.00 66.70 67.57 2k0f h VAL 138 Cb 0.18 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.94 2k0f h VAL 138 CO -0.01 0.01 0.54 -0.61 0.02 0.00 0.00 177.57 177.52 2k0f h GLN 139 N -1.21 0.59 -0.85 1.57 5.75 -0.74 -0.79 115.11 119.43 2k0f h GLN 139 Ca -0.10 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2k0f h GLN 139 Cb 0.76 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2k0f h GLN 139 CO 0.16 0.39 0.45 1.98 -2.65 0.00 0.00 178.83 179.16 2k0f h MET 140 N 0.61 1.19 0.00 1.69 4.05 -1.18 -3.34 114.93 117.95 2k0f h MET 140 Ca 0.59 -0.15 -0.17 0.00 -0.28 0.00 0.00 59.70 59.69 2k0f h MET 140 Cb 1.02 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.56 2k0f h MET 140 CO -0.44 0.88 -1.73 -1.33 0.23 0.00 0.00 176.91 174.52 2k0f n MET 141 N -4.33 0.64 0.00 0.39 2.81 -1.08 -5.11 117.12 110.44 2k0f n MET 141 Ca 0.09 0.08 0.16 0.00 -1.81 0.00 0.00 57.70 56.21 2k0f n MET 141 Cb 0.11 -1.69 0.92 0.00 -0.71 0.00 0.00 33.22 31.85 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73