#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 1.09 -0.49 -0.78 4.39 -2.05 -0.41 114.58 116.33 2k0f h GLU 2 Ca 0.00 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 2 Cb 0.00 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 2k0f h GLU 2 CO 0.00 0.72 -0.04 1.05 -1.16 0.00 0.00 179.01 179.58 2k0f h GLU 3 N 1.12 0.90 0.02 2.33 4.11 -2.06 -2.37 114.58 118.63 2k0f h GLU 3 Ca 0.45 -0.31 -0.24 0.00 0.07 0.00 0.00 59.36 59.33 2k0f h GLU 3 Cb 0.27 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 3 CO -0.20 0.95 -0.96 0.37 0.07 0.00 0.00 179.01 179.24 2k0f h GLN 4 N 0.76 0.61 -0.60 1.06 4.15 -1.86 -2.79 115.11 116.43 2k0f h GLN 4 Ca 0.13 -0.69 0.08 0.00 0.77 0.00 0.00 58.65 58.95 2k0f h GLN 4 Cb 0.58 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 2k0f h GLN 4 CO 0.03 1.28 0.26 0.82 -1.93 0.00 0.00 178.83 179.30 2k0f h ILE 5 N 0.23 0.83 0.00 2.39 1.08 -1.15 -2.27 117.51 118.63 2k0f h ILE 5 Ca -0.13 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2k0f h ILE 5 Cb 1.63 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2k0f h ILE 5 CO 0.19 0.09 -0.00 0.00 -0.69 0.00 0.00 178.15 177.73 2k0f h ALA 6 N 1.38 1.09 -0.31 1.87 0.00 -1.44 -0.56 119.26 121.29 2k0f h ALA 6 Ca 0.29 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 6 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k0f h ALA 6 CO -0.26 0.00 -0.45 1.49 0.00 0.00 0.00 179.25 180.03 2k0f h GLU 7 N 0.00 0.82 -0.19 0.00 4.81 -1.14 -2.65 114.58 116.23 2k0f h GLU 7 Ca -0.00 -0.46 -0.20 0.00 -0.13 0.00 0.00 59.36 58.57 2k0f h GLU 7 Cb 0.04 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 7 CO 0.00 1.09 -0.66 0.74 -0.73 0.00 0.00 179.01 179.46 2k0f h PHE 8 N 0.65 1.03 -0.44 0.92 0.04 -0.96 -2.58 116.94 115.60 2k0f h PHE 8 Ca 0.04 -0.42 -0.06 0.00 2.80 0.00 0.00 57.97 60.33 2k0f h PHE 8 Cb 1.03 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2k0f h PHE 8 CO 0.06 1.25 0.04 0.87 -0.60 0.00 0.00 178.31 179.92 2k0f h LYS 9 N 0.52 0.75 0.00 1.51 1.57 -1.23 0.37 116.57 120.07 2k0f h LYS 9 Ca -0.03 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2k0f h LYS 9 Cb 1.28 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2k0f h LYS 9 CO 0.14 0.80 -0.66 0.93 -0.57 0.00 0.00 179.45 180.08 2k0f h GLU 10 N 0.60 0.00 0.04 3.15 4.39 -1.56 -0.18 114.58 121.02 2k0f h GLU 10 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2k0f h GLU 10 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 10 CO 0.02 0.66 -0.02 0.00 -1.16 0.00 0.00 179.01 178.51 2k0f h ALA 11 N 1.34 -0.06 -0.38 3.43 0.00 -1.49 -2.17 119.26 119.94 2k0f h ALA 11 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 11 Cb 1.23 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 11 CO 0.09 -0.50 -0.38 0.35 0.00 0.00 0.00 179.25 178.81 2k0f h PHE 12 N -0.12 -1.07 -0.78 0.00 3.04 -0.70 -2.82 116.94 114.49 2k0f h PHE 12 Ca -0.01 0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.10 2k0f h PHE 12 Cb 0.10 0.52 -0.05 0.00 2.56 0.00 0.00 35.95 39.08 2k0f h PHE 12 CO -0.05 -0.42 0.51 1.03 -2.02 0.00 0.00 178.31 177.36 2k0f h SER 13 N -0.31 0.65 0.09 0.41 0.87 -0.90 -0.23 113.55 114.13 2k0f h SER 13 Ca 0.15 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2k0f h SER 13 Cb 0.57 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2k0f h SER 13 CO -0.54 0.39 -0.15 0.25 -0.53 0.00 0.00 176.83 176.24 2k0f h LEU 14 N 0.72 0.14 0.01 2.23 5.85 -1.17 -3.31 115.31 119.77 2k0f h LEU 14 Ca 0.36 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 14 Cb 0.45 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2k0f h LEU 14 CO -0.14 0.31 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.95 2k0f h PHE 15 N 0.14 0.03 -2.80 1.25 0.04 -0.95 -3.45 116.94 111.21 2k0f h PHE 15 Ca 0.03 -0.02 -0.57 0.00 2.80 0.00 0.00 57.97 60.21 2k0f h PHE 15 Cb 0.36 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2k0f h PHE 15 CO 0.00 1.03 1.16 0.34 -0.60 0.00 0.00 178.31 180.24 2k0f s ASP 16 N -6.27 6.25 0.11 2.17 2.15 -0.23 -4.61 116.67 116.23 2k0f s ASP 16 Ca -0.19 1.45 0.08 0.00 0.43 0.00 0.00 52.55 54.32 2k0f s ASP 16 Cb -0.03 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 16 CO 0.70 -1.40 1.20 0.11 -0.17 0.00 0.00 175.17 175.61 2k0f h LYS 17 N 11.29 0.00 0.01 4.34 1.79 -1.86 -3.06 116.57 129.07 2k0f h LYS 17 Ca -0.33 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 57.92 2k0f h LYS 17 Cb 1.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2k0f h LYS 17 CO 1.02 0.89 -0.95 -0.44 -1.08 0.00 0.00 179.45 178.88 2k0f h ASP 18 N 0.00 0.45 -3.81 0.86 3.32 -1.91 -3.48 116.42 111.85 2k0f h ASP 18 Ca -0.05 -0.37 -0.24 0.00 0.02 0.00 0.00 57.03 56.38 2k0f h ASP 18 Cb 1.78 -0.14 0.08 0.00 0.22 0.00 0.00 39.33 41.27 2k0f h ASP 18 CO 0.12 1.18 -0.41 0.61 -1.72 0.00 0.00 179.24 179.02 2k0f n GLY 19 N 0.98 0.04 0.11 2.75 0.00 -1.16 -4.95 105.19 102.95 2k0f n GLY 19 Ca -0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.19 1.41 0.00 1.61 5.75 -1.26 -5.02 116.55 117.85 2k0f n ASP 20 Ca -0.00 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2k0f n ASP 20 Cb 0.54 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.80 0.27 3.12 6.12 0.00 -1.26 -5.14 105.19 110.10 2k0f n GLY 21 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.19 0.85 -0.26 2.61 -4.23 -1.26 -4.25 115.64 107.92 2k0f s THR 22 Ca 0.00 -1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 2k0f s THR 22 Cb 0.00 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 2k0f s THR 22 CO 0.00 -0.32 0.28 -0.63 -0.54 0.00 0.00 174.62 173.41 2k0f s ILE 23 N -1.41 5.26 0.43 2.99 1.01 -0.46 -4.81 121.20 124.21 2k0f s ILE 23 Ca -0.05 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.06 2k0f s ILE 23 Cb -0.09 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2k0f s ILE 23 CO 0.01 0.23 0.59 0.42 0.00 0.00 0.00 174.94 176.20 2k0f s THR 24 N 1.68 2.95 0.20 2.92 -4.23 -1.26 -1.02 115.64 116.88 2k0f s THR 24 Ca 0.12 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 24 Cb -0.15 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 24 CO 0.09 0.00 1.63 0.71 -0.54 0.00 0.00 174.62 176.51 2k0f h THR 25 N 0.60 1.27 -0.83 3.99 1.35 -1.92 -2.43 112.91 114.93 2k0f h THR 25 Ca -0.40 -1.30 0.04 0.00 -0.55 0.00 0.00 66.41 64.21 2k0f h THR 25 Cb 1.28 1.12 -0.05 0.00 -1.73 0.00 0.00 68.15 68.76 2k0f h THR 25 CO 0.45 0.44 0.53 0.07 -0.25 0.00 0.00 175.52 176.76 2k0f h LYS 26 N 0.75 0.98 -0.37 4.72 2.10 -1.97 0.50 116.57 123.27 2k0f h LYS 26 Ca 0.11 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.64 2k0f h LYS 26 Cb 0.70 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2k0f h LYS 26 CO 0.05 0.65 -0.01 0.93 -2.00 0.00 0.00 179.45 179.06 2k0f h GLU 27 N 1.01 0.67 0.09 0.07 5.08 -1.80 -0.99 114.58 118.71 2k0f h GLU 27 Ca 0.34 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 27 Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 27 CO -0.13 0.78 -0.04 1.25 -1.00 0.00 0.00 179.01 179.87 2k0f h LEU 28 N 0.49 -0.10 -1.34 1.33 5.85 -1.10 -3.09 115.31 117.35 2k0f h LEU 28 Ca 0.10 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 28 Cb 0.49 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 28 CO 0.02 0.24 0.51 1.23 -0.34 0.00 0.00 178.44 180.10 2k0f h GLY 29 N -0.45 1.03 1.43 3.75 0.00 0.09 -2.94 103.07 105.98 2k0f h GLY 29 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2k0f h GLY 29 CO 0.02 0.21 0.02 -0.84 0.00 0.00 0.00 176.54 175.94 2k0f h THR 30 N 0.77 1.23 -0.04 4.70 2.02 -1.10 -0.61 112.91 119.87 2k0f h THR 30 Ca 0.35 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2k0f h THR 30 Cb 0.35 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2k0f h THR 30 CO -0.13 0.32 0.00 1.62 0.37 0.00 0.00 175.52 177.71 2k0f h VAL 31 N 0.67 1.23 -0.45 3.16 3.04 -1.47 -1.72 116.25 120.70 2k0f h VAL 31 Ca 0.14 -0.69 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 2k0f h VAL 31 Cb 0.39 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 2k0f h VAL 31 CO 0.01 0.19 0.20 0.24 -1.01 0.00 0.00 177.57 177.20 2k0f h MET 32 N -0.20 0.66 -0.86 4.17 2.86 -1.43 0.23 114.93 120.36 2k0f h MET 32 Ca 0.01 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 32 Cb 0.29 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 32 CO 0.00 0.58 0.56 0.00 1.06 0.00 0.00 176.91 179.11 2k0f h ARG 33 N 0.59 0.83 -0.58 1.72 3.08 -1.18 0.78 114.38 119.63 2k0f h ARG 33 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2k0f h ARG 33 Cb 0.15 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2k0f h ARG 33 CO -0.02 0.55 0.22 0.77 -1.07 0.00 0.00 179.97 180.43 2k0f h SER 34 N 0.86 0.80 0.76 7.04 0.02 -0.61 -2.21 113.55 120.21 2k0f h SER 34 Ca 0.39 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 34 Cb 0.37 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2k0f h SER 34 CO -0.16 0.76 0.00 0.18 -1.14 0.00 0.00 176.83 176.47 2k0f n LEU 35 N -4.48 0.00 -0.29 5.07 4.77 0.00 -4.76 117.00 117.32 2k0f n LEU 35 Ca 0.03 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2k0f n LEU 35 Cb 0.17 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2k0f n LEU 35 CO 0.39 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2k0f n GLY 36 N 1.04 0.84 3.84 -0.72 0.00 -0.46 -5.08 105.19 104.64 2k0f n GLY 36 Ca 0.08 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.98 3.16 -0.81 1.61 2.00 0.14 -5.00 119.66 118.79 2k0f s GLN 37 Ca 0.00 -0.54 0.02 0.00 -2.00 0.00 0.00 55.36 52.84 2k0f s GLN 37 Cb 0.00 -2.89 0.30 0.00 0.80 0.00 0.00 33.01 31.22 2k0f s GLN 37 CO 0.00 0.60 1.22 0.09 -0.50 0.00 0.00 175.29 176.70 2k0f n ASN 38 N 0.55 5.40 -4.85 6.67 3.02 -1.26 -3.66 115.26 121.13 2k0f n ASN 38 Ca -0.08 -3.57 -0.32 0.00 -0.03 0.00 0.00 54.58 50.58 2k0f n ASN 38 Cb 0.52 -0.88 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -3.27 3.98 0.33 3.52 0.04 -1.26 -5.06 135.00 133.27 2k0f s PRO 39 Ca 0.40 0.64 0.05 0.00 0.04 0.00 0.00 61.00 62.13 2k0f s PRO 39 Cb 0.17 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2k0f s PRO 39 CO -0.05 0.16 0.47 0.95 0.04 0.00 0.00 177.00 178.57 2k0f s THR 40 N -1.99 4.41 0.21 1.26 -4.23 -1.26 -5.00 115.64 109.04 2k0f s THR 40 Ca 0.54 -0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 60.08 2k0f s THR 40 Cb -0.10 -3.55 0.11 0.00 1.34 0.00 0.00 72.50 70.29 2k0f s THR 40 CO 0.18 -0.24 1.71 -0.33 -0.54 0.00 0.00 174.62 175.40 2k0f h GLU 41 N 0.89 1.03 -0.15 3.99 4.39 -1.99 -2.11 114.58 120.62 2k0f h GLU 41 Ca -0.48 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.00 2k0f h GLU 41 Cb 1.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2k0f h GLU 41 CO 0.56 0.96 0.18 0.00 -1.16 0.00 0.00 179.01 179.55 2k0f h ALA 42 N 1.12 1.73 0.07 3.43 0.00 -1.99 0.04 119.26 123.67 2k0f h ALA 42 Ca 0.19 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 42 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k0f h ALA 42 CO 0.01 -0.26 -1.66 0.93 0.00 0.00 0.00 179.25 178.27 2k0f h GLU 43 N 0.00 0.16 0.14 0.00 5.08 -1.78 -3.28 114.58 114.89 2k0f h GLU 43 Ca 0.07 -0.27 -0.29 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 43 Cb 0.44 0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 43 CO -0.00 0.93 -1.25 -0.07 -1.00 0.00 0.00 179.01 177.62 2k0f h LEU 44 N 0.04 0.67 -1.38 1.33 3.38 -0.99 -1.40 115.31 116.97 2k0f h LEU 44 Ca -0.28 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 2k0f h LEU 44 Cb 2.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2k0f h LEU 44 CO 0.12 1.49 -0.07 0.06 0.09 0.00 0.00 178.44 180.13 2k0f h GLN 45 N 0.17 0.00 0.00 1.13 3.07 -1.21 -2.71 115.11 115.57 2k0f h GLN 45 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 2k0f h GLN 45 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.50 2k0f h GLN 45 CO 0.22 0.07 -0.06 0.22 0.09 0.00 0.00 178.83 179.38 2k0f h ASP 46 N 0.00 0.04 -0.83 0.06 3.58 -1.54 -2.05 116.42 115.68 2k0f h ASP 46 Ca -0.00 -0.86 0.20 0.00 0.42 0.00 0.00 57.03 56.80 2k0f h ASP 46 Cb 0.57 -0.01 -0.13 0.00 1.72 0.00 0.00 39.33 41.48 2k0f h ASP 46 CO 0.01 0.89 0.23 0.24 -2.88 0.00 0.00 179.24 177.73 2k0f h MET 47 N -0.80 0.25 -0.00 0.28 2.86 -1.07 -1.67 114.93 114.78 2k0f h MET 47 Ca -0.01 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 47 Cb 0.90 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.52 2k0f h MET 47 CO 0.01 0.17 -0.81 0.82 1.06 0.00 0.00 176.91 178.16 2k0f h ILE 48 N 0.26 1.36 0.00 -1.22 2.04 -1.55 -3.28 117.51 115.12 2k0f h ILE 48 Ca 0.50 -2.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.14 2k0f h ILE 48 Cb 0.94 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 2k0f h ILE 48 CO -0.58 0.65 -0.34 -1.13 0.00 0.00 0.00 178.15 176.75 2k0f h ASN 49 N 0.14 0.00 -0.86 1.72 -1.24 -0.57 -2.23 115.58 112.53 2k0f h ASN 49 Ca -0.10 0.00 0.04 0.00 0.71 0.00 0.00 56.30 56.95 2k0f h ASN 49 Cb 1.49 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.49 2k0f h ASN 49 CO 0.16 0.34 0.55 -0.33 -1.29 0.00 0.00 177.43 176.85 2k0f h GLU 50 N 0.00 1.02 0.00 6.67 4.39 -1.41 -2.83 114.58 122.42 2k0f h GLU 50 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 50 Cb 0.62 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k0f h GLU 50 CO 0.04 0.67 -0.51 -0.39 -1.16 0.00 0.00 179.01 177.67 2k0f h VAL 51 N 1.05 0.00 -2.66 3.13 -1.51 -1.66 -3.46 116.25 111.14 2k0f h VAL 51 Ca 0.35 -0.60 -0.54 0.00 -1.23 0.00 0.00 66.70 64.68 2k0f h VAL 51 Cb 0.05 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2k0f h VAL 51 CO -0.13 0.00 1.04 -0.62 -1.23 0.00 0.00 177.57 176.63 2k0f s ASP 52 N -4.60 6.68 -0.15 4.19 2.15 -0.85 -4.85 116.67 119.24 2k0f s ASP 52 Ca 0.06 2.26 -0.14 0.00 0.43 0.00 0.00 52.55 55.16 2k0f s ASP 52 Cb 0.12 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.15 2k0f s ASP 52 CO 0.70 -0.89 -0.28 0.00 -0.17 0.00 0.00 175.17 174.53 2k0f n ALA 53 N 6.64 0.70 -0.66 3.66 0.00 -1.26 -4.78 120.51 124.82 2k0f n ALA 53 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2k0f n ALA 53 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.20 0.00 0.00 0.00 5.68 -1.26 -4.97 116.55 111.80 2k0f n ASP 54 Ca -0.11 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 54.85 2k0f n ASP 54 Cb 0.42 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.84 0.52 0.10 6.12 0.00 -1.26 -5.01 105.19 104.82 2k0f n GLY 55 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 1.30 0.00 1.61 0.23 -1.26 -5.01 115.26 112.13 2k0f n ASN 56 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 2k0f n ASN 56 Cb 0.00 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 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 1.72 0.46 3.10 4.83 0.00 -1.26 -5.06 105.19 108.98 2k0f n GLY 57 Ca -0.23 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 0.72 -0.06 2.61 -4.23 -1.26 -4.68 115.64 106.74 2k0f s THR 58 Ca 0.00 -1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 59.01 2k0f s THR 58 Cb 0.00 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 2k0f s THR 58 CO 0.00 -0.38 0.92 -0.63 -0.54 0.00 0.00 174.62 173.99 2k0f s ILE 59 N -1.55 4.88 0.36 2.99 1.01 -0.19 -4.85 121.20 123.85 2k0f s ILE 59 Ca -0.06 1.90 0.07 0.00 0.00 0.00 0.00 60.65 62.57 2k0f s ILE 59 Cb -0.09 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 2k0f s ILE 59 CO 0.01 0.12 0.38 -1.81 0.00 0.00 0.00 174.94 173.63 2k0f s ASP 60 N 1.01 5.46 0.14 3.58 1.11 -1.26 -1.36 116.67 125.35 2k0f s ASP 60 Ca 0.47 -0.45 -0.21 0.00 0.18 0.00 0.00 52.55 52.54 2k0f s ASP 60 Cb -0.19 -0.95 0.02 0.00 1.07 0.00 0.00 42.92 42.87 2k0f s ASP 60 CO 0.22 -0.46 1.66 0.15 1.18 0.00 0.00 175.17 177.92 2k0f h PHE 61 N 1.07 -0.44 0.00 4.23 3.57 -1.96 -2.08 116.94 121.33 2k0f h PHE 61 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.26 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.22 2k0f h PHE 61 CO 0.49 -0.24 0.00 -1.00 -2.23 0.00 0.00 178.31 175.33 2k0f h PRO 62 N -0.17 0.00 0.02 6.41 0.13 -1.97 -2.12 132.00 134.29 2k0f h PRO 62 Ca 0.13 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.05 2k0f h PRO 62 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2k0f h PRO 62 CO -0.32 0.00 -0.95 0.93 -0.23 0.00 0.00 178.00 177.43 2k0f h GLU 63 N 0.00 0.16 0.05 0.86 5.08 -1.78 0.90 114.58 119.85 2k0f h GLU 63 Ca 0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 63 Cb 0.71 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 63 CO 0.00 0.99 -0.13 0.35 -1.00 0.00 0.00 179.01 179.23 2k0f h PHE 64 N 0.07 -0.32 -0.42 4.33 3.04 -1.19 -2.41 116.94 120.03 2k0f h PHE 64 Ca -0.05 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2k0f h PHE 64 Cb 1.63 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 40.25 2k0f h PHE 64 CO 0.03 -0.19 0.19 -0.07 -2.02 0.00 0.00 178.31 176.24 2k0f h LEU 65 N -0.24 0.52 -0.27 0.59 3.38 -1.35 -3.19 115.31 114.75 2k0f h LEU 65 Ca 0.03 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 65 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2k0f h LEU 65 CO -0.09 0.46 0.13 0.74 0.09 0.00 0.00 178.44 179.77 2k0f h THR 66 N 0.58 0.99 -0.72 0.22 2.02 -0.33 -2.37 112.91 113.30 2k0f h THR 66 Ca 0.15 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2k0f h THR 66 Cb 0.08 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2k0f h THR 66 CO -0.02 0.05 0.40 -0.03 0.37 0.00 0.00 175.52 176.29 2k0f h MET 67 N 0.28 0.68 0.00 6.66 1.85 -1.46 -2.41 114.93 120.53 2k0f h MET 67 Ca 0.11 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2k0f h MET 67 Cb 0.03 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 2k0f h MET 67 CO -0.08 0.45 -0.25 0.52 -0.40 0.00 0.00 176.91 177.15 2k0f h MET 68 N 0.71 0.00 -0.16 0.39 2.07 -1.59 -3.31 114.93 113.04 2k0f h MET 68 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 2k0f h MET 68 Cb 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 2k0f h MET 68 CO -0.22 0.13 0.00 0.00 1.07 0.00 0.00 176.91 177.89 2k0f n ALA 69 N -2.15 2.52 -1.96 6.32 0.00 -0.90 -4.76 120.51 119.59 2k0f n ALA 69 Ca 0.03 -0.43 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 2k0f n ALA 69 Cb 0.59 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.80 4.50 -0.23 0.00 1.70 -1.20 -5.03 118.95 116.90 2k0f s ARG 70 Ca 0.28 1.13 -0.09 0.00 -0.47 0.00 0.00 55.73 56.58 2k0f s ARG 70 Cb 0.14 -3.07 -0.04 0.00 -0.57 0.00 0.00 34.95 31.41 2k0f s ARG 70 CO 0.22 0.47 0.11 0.21 -1.08 0.00 0.00 175.30 175.22 2k0f s LYS 71 N -1.55 3.90 0.52 3.89 2.20 -1.26 -5.04 119.74 122.41 2k0f s LYS 71 Ca 0.41 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.54 2k0f s LYS 71 Cb -0.21 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2k0f s LYS 71 CO 0.25 0.02 0.92 -1.64 -0.36 0.00 0.00 175.35 174.54 2k0f s MET 72 N 1.10 3.72 0.60 4.03 -1.94 -1.26 -5.05 119.30 120.51 2k0f s MET 72 Ca 0.05 0.66 -0.17 0.00 -1.71 0.00 0.00 55.69 54.52 2k0f s MET 72 Cb -0.14 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 2k0f s MET 72 CO 0.04 -0.32 1.10 -1.59 -0.01 0.00 0.00 175.02 174.24 2k0f s LYS 73 N -4.54 3.14 0.33 2.03 -2.85 -1.26 -4.73 119.74 111.86 2k0f s LYS 73 Ca 0.54 1.42 0.24 0.00 -1.00 0.00 0.00 55.97 57.17 2k0f s LYS 73 Cb -0.10 -1.99 1.19 0.00 -2.06 0.00 0.00 37.83 34.86 2k0f s LYS 73 CO 0.42 -0.99 1.72 -0.44 0.10 0.00 0.00 175.35 176.16 2k0f h ASP 74 N 0.58 0.00 0.23 0.03 5.19 -1.99 -1.78 116.42 118.68 2k0f h ASP 74 Ca -0.48 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.60 2k0f h ASP 74 Cb 1.24 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.56 0.00 -1.41 0.71 -3.12 0.00 0.00 179.24 175.98 2k0f h THR 75 N 0.00 1.29 0.01 0.35 1.35 -2.00 -3.23 112.91 110.68 2k0f h THR 75 Ca 0.00 -2.63 -0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2k0f h THR 75 Cb 0.12 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2k0f h THR 75 CO 0.00 0.79 -0.00 0.44 -0.25 0.00 0.00 175.52 176.50 2k0f h ASP 76 N 0.19 -0.01 -0.78 5.36 3.32 -1.71 -2.28 116.42 120.51 2k0f h ASP 76 Ca -0.23 -0.59 0.19 0.00 0.02 0.00 0.00 57.03 56.41 2k0f h ASP 76 Cb 2.09 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 41.50 2k0f h ASP 76 CO 0.27 0.59 -0.07 -1.20 -1.72 0.00 0.00 179.24 177.11 2k0f n SER 77 N -4.81 -0.17 0.14 6.45 7.64 -0.82 0.13 113.62 122.18 2k0f n SER 77 Ca -0.09 1.33 0.12 0.00 1.01 0.00 0.00 58.87 61.24 2k0f n SER 77 Cb 0.30 -0.45 0.08 0.00 -1.01 0.00 0.00 64.21 63.13 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k0f h GLU 78 N 0.00 0.00 0.16 1.43 4.81 -1.51 -3.22 114.58 116.24 2k0f h GLU 78 Ca 0.43 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 78 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k0f h GLU 78 CO -0.76 0.00 -1.73 1.49 -0.73 0.00 0.00 179.01 177.28 2k0f h GLU 79 N 0.00 0.33 -0.55 1.92 4.57 -0.76 -3.26 114.58 116.83 2k0f h GLU 79 Ca 0.00 -0.57 0.08 0.00 -1.18 0.00 0.00 59.36 57.70 2k0f h GLU 79 Cb 0.97 0.21 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 2k0f h GLU 79 CO 0.00 1.27 -0.22 -1.91 -1.18 0.00 0.00 179.01 176.97 2k0f n GLU 80 N -3.65 -0.14 0.15 1.92 2.13 0.12 -0.08 120.64 121.09 2k0f n GLU 80 Ca -0.27 0.84 0.02 0.00 0.66 0.00 0.00 57.16 58.42 2k0f n GLU 80 Cb 1.03 -1.25 0.16 0.00 0.27 0.00 0.00 31.44 31.65 2k0f n GLU 80 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 2k0f h ILE 81 N 0.00 1.08 0.02 6.31 6.09 -1.69 -2.59 117.51 126.73 2k0f h ILE 81 Ca 0.18 -2.08 -0.00 0.00 -1.37 0.00 0.00 64.86 61.60 2k0f h ILE 81 Cb 0.32 2.23 0.00 0.00 0.47 0.00 0.00 36.82 39.84 2k0f h ILE 81 CO -0.54 0.52 -0.01 -0.09 -3.07 0.00 0.00 178.15 174.96 2k0f h ARG 82 N 0.00 -0.03 0.00 2.19 2.43 -1.29 -3.07 114.38 114.61 2k0f h ARG 82 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 82 Cb 1.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2k0f h ARG 82 CO 0.07 0.72 -0.01 0.93 -1.51 0.00 0.00 179.97 180.18 2k0f h GLU 83 N -0.89 0.00 -0.12 0.20 4.39 -0.55 -0.62 114.58 117.00 2k0f h GLU 83 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 83 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2k0f h GLU 83 CO 0.00 0.01 -0.54 0.00 -1.16 0.00 0.00 179.01 177.32 2k0f h ALA 84 N 1.99 0.86 0.02 3.43 0.00 -1.49 -3.05 119.26 121.03 2k0f h ALA 84 Ca -0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2k0f h ALA 84 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 84 CO 0.00 0.68 -0.97 0.35 0.00 0.00 0.00 179.25 179.31 2k0f h PHE 85 N 0.27 0.18 0.00 0.00 3.57 -1.05 -3.29 116.94 116.61 2k0f h PHE 85 Ca 0.01 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 85 Cb 1.03 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 85 CO 0.03 1.01 0.00 -2.13 -2.23 0.00 0.00 178.31 174.99 2k0f n ARG 86 N -3.52 0.58 0.02 1.11 0.63 -0.62 -1.17 116.66 113.69 2k0f n ARG 86 Ca -0.03 0.03 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2k0f n ARG 86 Cb 0.89 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 32.15 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 0.72 0.15 5.15 2.07 -1.62 -3.39 116.25 119.32 2k0f h VAL 87 Ca 0.00 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2k0f h VAL 87 Cb 0.10 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2k0f h VAL 87 CO 0.00 0.87 -0.07 -0.26 0.02 0.00 0.00 177.57 178.13 2k0f h PHE 88 N 0.08 -0.19 -3.51 1.57 0.04 -1.50 -3.42 116.94 110.01 2k0f h PHE 88 Ca -0.40 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.81 2k0f h PHE 88 Cb 2.05 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 40.19 2k0f h PHE 88 CO 0.08 0.18 0.98 0.34 -0.60 0.00 0.00 178.31 179.29 2k0f s ASP 89 N -5.49 6.52 -0.05 2.17 2.15 -0.32 -4.59 116.67 117.06 2k0f s ASP 89 Ca -0.10 0.48 -0.13 0.00 0.43 0.00 0.00 52.55 53.23 2k0f s ASP 89 Cb -0.00 -2.55 -0.30 0.00 -0.30 0.00 0.00 42.92 39.77 2k0f s ASP 89 CO 0.36 -1.35 0.68 0.50 -0.17 0.00 0.00 175.17 175.19 2k0f h LYS 90 N 9.68 0.37 0.07 4.34 3.64 -1.82 -3.40 116.57 129.47 2k0f h LYS 90 Ca -0.24 -0.64 -0.16 0.00 -1.27 0.00 0.00 60.65 58.34 2k0f h LYS 90 Cb 1.07 0.24 0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2k0f h LYS 90 CO 1.13 1.31 -0.67 0.38 -2.27 0.00 0.00 179.45 179.32 2k0f h ASP 91 N -0.01 0.47 0.00 4.20 2.03 -1.94 -3.49 116.42 117.68 2k0f h ASP 91 Ca -0.32 -0.87 0.00 0.00 -0.73 0.00 0.00 57.03 55.11 2k0f h ASP 91 Cb 2.01 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 40.36 2k0f h ASP 91 CO 0.16 1.29 0.00 0.61 -1.03 0.00 0.00 179.24 180.27 2k0f n GLY 92 N 1.39 1.87 0.10 7.15 0.00 -1.26 -5.02 105.19 109.42 2k0f n GLY 92 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.38 0.00 1.61 -1.07 -1.95 -3.48 115.58 111.07 2k0f h ASN 93 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 55.94 2k0f h ASN 93 Cb 0.00 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 2k0f h ASN 93 CO 0.00 1.34 0.00 0.61 0.07 0.00 0.00 177.43 179.45 2k0f n GLY 94 N 1.55 1.12 2.93 9.14 0.00 -1.26 -5.12 105.19 113.55 2k0f n GLY 94 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.54 -0.14 -0.53 1.61 2.02 -1.26 -3.29 117.35 114.22 2k0f s TYR 95 Ca 0.00 0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.85 2k0f s TYR 95 Cb 0.00 -0.07 0.03 0.00 -0.40 0.00 0.00 41.96 41.52 2k0f s TYR 95 CO 0.00 -0.14 1.12 0.42 -1.57 0.00 0.00 175.55 175.37 2k0f s ILE 96 N 0.95 4.18 0.79 2.71 1.01 0.11 -4.79 121.20 126.16 2k0f s ILE 96 Ca -0.07 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 2k0f s ILE 96 Cb -0.10 -4.63 0.13 0.00 0.01 0.00 0.00 42.46 37.88 2k0f s ILE 96 CO -0.05 -1.14 1.10 -0.94 0.00 0.00 0.00 174.94 173.91 2k0f s SER 97 N 2.68 4.09 0.22 3.58 1.04 -1.26 -1.94 113.70 122.12 2k0f s SER 97 Ca 0.43 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.87 2k0f s SER 97 Cb -0.08 -0.40 0.22 0.00 0.10 0.00 0.00 66.02 65.85 2k0f s SER 97 CO 0.27 -2.06 1.66 0.00 0.98 0.00 0.00 173.24 174.10 2k0f h ALA 98 N -0.89 0.93 0.55 5.32 0.00 -1.92 -1.87 119.26 121.38 2k0f h ALA 98 Ca -0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2k0f h ALA 98 Cb 1.27 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 98 CO 0.45 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 180.05 2k0f h ALA 99 N 1.12 -0.74 -0.79 0.00 0.00 -1.97 -2.45 119.26 114.42 2k0f h ALA 99 Ca 0.11 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 99 Cb 0.66 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 2k0f h ALA 99 CO 0.05 -0.71 -0.20 0.93 0.00 0.00 0.00 179.25 179.32 2k0f h GLU 100 N -1.15 -0.00 -0.20 0.00 5.08 -1.90 -1.93 114.58 114.48 2k0f h GLU 100 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 100 CO 0.12 -0.00 0.13 1.25 -1.00 0.00 0.00 179.01 179.51 2k0f h LEU 101 N -0.00 0.24 -0.64 1.33 5.85 -1.39 -2.66 115.31 118.05 2k0f h LEU 101 Ca 0.38 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 2k0f h LEU 101 Cb 0.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2k0f h LEU 101 CO -0.81 0.20 0.09 -0.09 -0.34 0.00 0.00 178.44 177.49 2k0f h ARG 102 N 0.25 1.06 -0.40 1.25 2.43 -1.29 -1.14 114.38 116.55 2k0f h ARG 102 Ca 0.07 -0.29 0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 102 Cb 0.01 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.35 2k0f h ARG 102 CO -0.01 0.99 -0.22 0.45 -1.51 0.00 0.00 179.97 179.67 2k0f h HIS 103 N 0.98 -0.56 -0.11 2.20 3.86 -1.30 -2.05 115.15 118.16 2k0f h HIS 103 Ca 0.19 0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 59.25 2k0f h HIS 103 Cb 0.45 0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2k0f h HIS 103 CO 0.03 -0.30 -0.73 -0.24 0.86 0.00 0.00 177.93 177.55 2k0f h VAL 104 N -0.15 1.34 -0.29 2.45 3.04 -1.11 -2.88 116.25 118.65 2k0f h VAL 104 Ca 0.19 -2.05 -0.13 0.00 -1.01 0.00 0.00 66.70 63.70 2k0f h VAL 104 Cb 0.45 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 2k0f h VAL 104 CO -0.49 0.63 -0.35 0.24 -1.01 0.00 0.00 177.57 176.59 2k0f h MET 105 N 0.38 0.66 -0.69 4.17 2.07 -1.06 0.23 114.93 120.69 2k0f h MET 105 Ca -0.04 -0.31 -0.02 0.00 -2.07 0.00 0.00 59.70 57.26 2k0f h MET 105 Cb 1.33 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 31.02 2k0f h MET 105 CO 0.14 0.91 0.34 1.15 1.07 0.00 0.00 176.91 180.52 2k0f h THR 106 N 0.55 1.22 -0.73 2.22 2.02 -1.44 0.93 112.91 117.68 2k0f h THR 106 Ca 0.06 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.65 2k0f h THR 106 Cb 0.86 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 2k0f h THR 106 CO 0.07 0.26 0.48 0.78 0.37 0.00 0.00 175.52 177.48 2k0f h ASN 107 N 0.97 0.82 -0.66 4.18 2.35 -1.19 -2.95 115.58 119.10 2k0f h ASN 107 Ca 0.24 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2k0f h ASN 107 Cb 0.09 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 2k0f h ASN 107 CO -0.03 0.58 0.39 -0.07 -1.65 0.00 0.00 177.43 176.65 2k0f h LEU 108 N 0.97 0.60 0.00 1.61 3.38 -0.25 -3.41 115.31 118.21 2k0f h LEU 108 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2k0f h LEU 108 Cb -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2k0f h LEU 108 CO -0.07 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.47 2k0f n GLY 109 N -1.28 -0.53 3.91 0.83 0.00 -0.53 -4.90 105.19 102.69 2k0f n GLY 109 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.54 -0.22 1.61 0.41 0.21 -4.96 118.70 118.29 2k0f s GLU 110 Ca 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 54.97 54.54 2k0f s GLU 110 Cb 0.00 -2.16 0.07 0.00 -1.78 0.00 0.00 34.13 30.26 2k0f s GLU 110 CO 0.00 -1.06 0.02 -1.59 -0.49 0.00 0.00 175.26 172.14 2k0f s LYS 111 N -5.21 0.95 0.23 1.61 -2.85 -1.26 -4.04 119.74 109.17 2k0f s LYS 111 Ca 0.58 -0.68 0.08 0.00 -1.00 0.00 0.00 55.97 54.95 2k0f s LYS 111 Cb -0.11 -2.25 -0.04 0.00 -2.06 0.00 0.00 37.83 33.37 2k0f s LYS 111 CO 0.46 -0.68 0.03 -0.51 0.10 0.00 0.00 175.35 174.76 2k0f s LEU 112 N 1.68 3.33 0.00 2.77 1.02 -1.26 -5.10 118.68 121.12 2k0f s LEU 112 Ca -0.01 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.72 2k0f s LEU 112 Cb -0.18 -1.90 0.07 0.00 0.02 0.00 0.00 46.19 44.20 2k0f s LEU 112 CO -0.10 0.03 0.56 0.35 0.02 0.00 0.00 176.35 177.22 2k0f n THR 113 N -0.63 0.00 -0.15 5.49 -2.24 -1.26 -5.03 114.28 110.46 2k0f n THR 113 Ca -0.08 -2.12 -0.10 0.00 -2.27 0.00 0.00 64.05 59.48 2k0f n THR 113 Cb 0.57 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 0.46 0.68 -0.11 3.42 3.32 -2.01 -3.13 116.42 119.05 2k0f h ASP 114 Ca -0.33 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 2k0f h ASP 114 Cb 1.28 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2k0f h ASP 114 CO 0.50 0.76 0.05 -0.08 -1.72 0.00 0.00 179.24 178.74 2k0f h GLU 115 N 0.57 0.15 -0.80 3.56 4.81 -2.00 -3.15 114.58 117.73 2k0f h GLU 115 Ca 0.13 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 115 Cb 0.36 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 115 CO 0.01 0.24 0.35 0.93 -0.73 0.00 0.00 179.01 179.81 2k0f h GLU 116 N 0.03 0.47 -0.02 1.92 5.08 -1.95 -1.63 114.58 118.48 2k0f h GLU 116 Ca 0.04 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 116 Cb 0.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 116 CO -0.00 0.31 -0.86 -0.24 -1.00 0.00 0.00 179.01 177.22 2k0f h VAL 117 N 0.48 1.42 -0.19 3.13 3.04 -1.59 -1.80 116.25 120.74 2k0f h VAL 117 Ca 0.45 -2.40 -0.12 0.00 -1.01 0.00 0.00 66.70 63.62 2k0f h VAL 117 Cb 0.71 2.34 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 2k0f h VAL 117 CO -0.42 0.71 -0.39 -0.78 -1.01 0.00 0.00 177.57 175.68 2k0f h ASP 118 N 0.20 0.46 -0.97 3.17 3.58 -1.44 -0.82 116.42 120.61 2k0f h ASP 118 Ca -0.05 -0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.25 2k0f h ASP 118 Cb 1.47 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 42.33 2k0f h ASP 118 CO 0.14 0.81 0.63 -0.08 -2.88 0.00 0.00 179.24 177.87 2k0f h GLU 119 N 0.37 1.14 -0.03 0.28 4.81 -1.29 -1.40 114.58 118.45 2k0f h GLU 119 Ca 0.03 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 58.96 2k0f h GLU 119 Cb 0.86 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.99 2k0f h GLU 119 CO 0.07 0.76 -0.92 1.98 -0.73 0.00 0.00 179.01 180.17 2k0f h MET 120 N 1.18 0.55 -0.07 1.92 4.05 -0.82 -0.87 114.93 120.88 2k0f h MET 120 Ca 0.40 -0.55 -0.24 0.00 -0.28 0.00 0.00 59.70 59.03 2k0f h MET 120 Cb 0.08 0.15 0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2k0f h MET 120 CO -0.14 1.18 -0.90 0.82 0.23 0.00 0.00 176.91 178.10 2k0f h ILE 121 N 0.33 1.30 -0.62 1.77 1.08 -1.22 -2.73 117.51 117.43 2k0f h ILE 121 Ca -0.08 -2.16 -0.03 0.00 -0.39 0.00 0.00 64.86 62.20 2k0f h ILE 121 Cb 1.55 2.20 -0.03 0.00 -3.07 0.00 0.00 36.82 37.48 2k0f h ILE 121 CO 0.17 0.67 0.27 -0.09 -0.69 0.00 0.00 178.15 178.48 2k0f h ARG 122 N 0.42 0.91 -0.36 2.37 2.43 -0.93 -0.53 114.38 118.68 2k0f h ARG 122 Ca -0.08 -0.15 0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 122 Cb 1.53 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.85 2k0f h ARG 122 CO 0.17 0.75 -0.19 1.49 -1.51 0.00 0.00 179.97 180.68 2k0f h GLU 123 N 0.85 -0.13 -0.12 0.20 4.81 -1.20 -3.24 114.58 115.75 2k0f h GLU 123 Ca 0.21 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 123 Cb 0.16 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 123 CO -0.02 -0.09 -0.21 0.00 -0.73 0.00 0.00 179.01 177.96 2k0f h ALA 124 N 1.10 0.19 -2.71 2.92 0.00 -1.14 -3.46 119.26 116.16 2k0f h ALA 124 Ca 0.18 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 124 Cb 0.41 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 124 CO -0.44 0.14 0.69 0.34 0.00 0.00 0.00 179.25 179.97 2k0f s ASP 125 N -6.24 6.81 -0.22 0.00 2.15 -0.24 -4.86 116.67 114.07 2k0f s ASP 125 Ca -0.14 2.51 -0.08 0.00 0.43 0.00 0.00 52.55 55.27 2k0f s ASP 125 Cb 0.05 -2.62 -0.11 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.76 -0.59 -0.26 -0.38 -0.17 0.00 0.00 175.17 174.53 2k0f n ILE 126 N 2.45 1.23 0.18 4.11 5.41 -1.26 -4.55 119.36 126.93 2k0f n ILE 126 Ca 0.06 -0.36 -0.13 0.00 1.00 0.00 0.00 62.75 63.33 2k0f n ILE 126 Cb 0.42 -1.65 -0.08 0.00 -0.71 0.00 0.00 39.64 37.62 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.58 -0.41 0.00 4.38 3.04 -1.97 -3.49 116.42 117.40 2k0f h ASP 127 Ca -0.54 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.10 2k0f h ASP 127 Cb 1.56 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.96 2k0f h ASP 127 CO -0.27 -0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.52 2k0f n GLY 128 N -0.25 0.49 0.10 7.15 0.00 -1.26 -5.05 105.19 106.36 2k0f n GLY 128 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.86 0.00 1.61 5.68 -1.26 -4.97 116.55 118.47 2k0f n ASP 129 Ca 0.00 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 2k0f n ASP 129 Cb 0.00 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.37 0.83 2.87 6.12 0.00 -1.26 -5.05 105.19 110.07 2k0f n GLY 130 Ca -0.08 -0.14 -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 -0.66 1.09 -0.49 1.61 -1.52 -1.26 -4.48 119.66 113.95 2k0f s GLN 131 Ca 0.00 -1.48 -0.28 0.00 -1.95 0.00 0.00 55.36 51.65 2k0f s GLN 131 Cb 0.00 -2.59 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 2k0f s GLN 131 CO 0.00 -0.97 1.53 0.08 -0.25 0.00 0.00 175.29 175.69 2k0f s VAL 132 N 1.26 3.71 0.00 1.09 1.01 -0.82 -4.74 120.40 121.91 2k0f s VAL 132 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2k0f s VAL 132 Cb -0.18 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2k0f s VAL 132 CO -0.17 -0.91 0.00 -0.46 0.00 0.00 0.00 175.10 173.56 2k0f n ASN 133 N 9.92 -0.12 -0.03 3.32 0.23 -1.26 0.09 115.26 127.40 2k0f n ASN 133 Ca 0.16 -0.43 -0.13 0.00 -0.53 0.00 0.00 54.58 53.65 2k0f n ASN 133 Cb 0.49 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.62 0.18 -0.49 -2.53 3.20 -1.94 -2.26 116.97 112.51 2k0f h TYR 134 Ca 0.00 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 2k0f h TYR 134 Cb 0.00 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.14 2k0f h TYR 134 CO 0.00 0.64 -0.51 1.49 -1.64 0.00 0.00 178.16 178.14 2k0f h GLU 135 N -0.33 -0.31 -0.35 1.82 4.81 -1.94 -1.97 114.58 116.32 2k0f h GLU 135 Ca 0.01 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 135 Cb 0.62 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2k0f h GLU 135 CO 0.02 -0.21 0.23 0.93 -0.73 0.00 0.00 179.01 179.26 2k0f h GLU 136 N -0.32 0.31 0.21 1.92 5.08 -1.91 -2.18 114.58 117.69 2k0f h GLU 136 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 136 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 136 CO -0.64 0.20 -0.10 0.35 -1.00 0.00 0.00 179.01 177.82 2k0f h PHE 137 N 0.31 -0.26 0.00 4.33 3.57 -1.10 -3.27 116.94 120.52 2k0f h PHE 137 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 137 Cb 0.18 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k0f h PHE 137 CO -0.00 0.04 0.00 0.28 -2.23 0.00 0.00 178.31 176.40 2k0f n VAL 138 N -5.09 1.09 1.01 1.41 0.31 -0.77 -1.91 118.33 114.38 2k0f n VAL 138 Ca -0.09 0.38 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 2k0f n VAL 138 Cb 0.22 -1.29 0.58 0.00 -0.91 0.00 0.00 33.84 32.44 2k0f n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k0f n GLN 139 N -1.95 0.01 -0.10 5.55 7.27 -0.84 -1.28 117.38 126.03 2k0f n GLN 139 Ca 0.01 -0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 2k0f n GLN 139 Cb 0.14 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.14 2k0f n GLN 139 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2k0f n MET 140 N -1.49 0.68 -0.05 3.69 2.81 -0.80 -4.60 117.12 117.35 2k0f n MET 140 Ca 0.07 0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 2k0f n MET 140 Cb 0.34 -1.54 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 2k0f n MET 140 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k0f h MET 141 N 0.00 -0.02 0.00 0.03 2.86 -1.39 -3.53 114.93 112.88 2k0f h MET 141 Ca -0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2k0f h MET 141 Cb 2.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.78 2k0f h MET 141 CO -0.00 0.70 0.00 2.41 1.06 0.00 0.00 176.91 181.08