#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 0.57 -0.15 -0.78 4.81 -2.06 -2.39 114.58 114.58 2k0f h GLU 2 Ca 0.00 -0.60 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2k0f h GLU 2 Cb 0.00 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2k0f h GLU 2 CO 0.00 1.22 0.08 1.49 -0.73 0.00 0.00 179.01 181.07 2k0f h GLU 3 N 0.32 0.21 -0.15 1.92 4.81 -2.05 -3.05 114.58 116.59 2k0f h GLU 3 Ca -0.10 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 3 Cb 1.63 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.91 2k0f h GLU 3 CO 0.18 0.21 -0.17 1.96 -0.73 0.00 0.00 179.01 180.45 2k0f h GLN 4 N 0.15 -0.20 -0.67 1.92 4.20 -1.94 -1.72 115.11 116.85 2k0f h GLN 4 Ca 0.05 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.80 2k0f h GLN 4 Cb 0.06 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2k0f h GLN 4 CO -0.01 -0.13 0.42 -0.84 -0.67 0.00 0.00 178.83 177.60 2k0f h ILE 5 N -0.21 1.10 -0.83 2.54 3.07 -1.46 -2.08 117.51 119.64 2k0f h ILE 5 Ca 0.10 -0.29 0.17 0.00 1.55 0.00 0.00 64.86 66.40 2k0f h ILE 5 Cb 0.36 0.19 -0.06 0.00 -0.27 0.00 0.00 36.82 37.05 2k0f h ILE 5 CO -0.27 0.15 0.55 0.00 -1.05 0.00 0.00 178.15 177.53 2k0f h ALA 6 N 1.28 2.13 -0.13 0.16 0.00 -1.38 -1.49 119.26 119.83 2k0f h ALA 6 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k0f h ALA 6 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k0f h ALA 6 CO -0.10 -0.37 0.06 1.49 0.00 0.00 0.00 179.25 180.33 2k0f h GLU 7 N 0.44 0.18 -0.74 0.00 4.81 -0.88 -3.20 114.58 115.19 2k0f h GLU 7 Ca 0.42 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2k0f h GLU 7 Cb 0.97 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2k0f h GLU 7 CO -0.15 0.24 0.34 0.35 -0.73 0.00 0.00 179.01 179.06 2k0f h PHE 8 N 0.08 1.09 -0.04 0.92 3.57 -1.01 -2.96 116.94 118.58 2k0f h PHE 8 Ca 0.04 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 8 Cb 0.12 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2k0f h PHE 8 CO -0.03 0.81 0.04 0.87 -2.23 0.00 0.00 178.31 177.76 2k0f h LYS 9 N 1.05 0.00 0.02 1.11 1.57 -1.28 0.70 116.57 119.74 2k0f h LYS 9 Ca 0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 2k0f h LYS 9 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 2k0f h LYS 9 CO -0.03 0.00 -0.65 0.93 -0.57 0.00 0.00 179.45 179.13 2k0f h GLU 10 N 0.00 0.41 0.00 3.15 4.39 -1.54 -0.39 114.58 120.60 2k0f h GLU 10 Ca 0.02 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2k0f h GLU 10 Cb 0.09 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2k0f h GLU 10 CO -0.00 1.13 -0.04 0.00 -1.16 0.00 0.00 179.01 178.94 2k0f h ALA 11 N 0.29 1.10 0.10 3.43 0.00 -1.31 -2.57 119.26 120.30 2k0f h ALA 11 Ca -0.09 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 11 Cb 1.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k0f h ALA 11 CO 0.13 0.05 -1.18 0.35 0.00 0.00 0.00 179.25 178.60 2k0f h PHE 12 N 0.00 0.42 0.00 0.00 3.04 0.41 -3.26 116.94 117.55 2k0f h PHE 12 Ca -0.00 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.65 2k0f h PHE 12 Cb 0.27 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2k0f h PHE 12 CO 0.00 1.23 0.00 0.43 -2.02 0.00 0.00 178.31 177.95 2k0f n SER 13 N -3.52 0.00 0.01 0.41 7.64 -0.16 -0.91 113.62 117.08 2k0f n SER 13 Ca -0.07 0.22 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 2k0f n SER 13 Cb 1.00 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.75 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 -0.05 0.00 -3.43 3.38 -1.56 -3.40 115.31 110.25 2k0f h LEU 14 Ca 0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k0f h LEU 14 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k0f h LEU 14 CO 0.00 0.46 -0.00 -0.26 0.09 0.00 0.00 178.44 178.73 2k0f h PHE 15 N -0.58 -0.00 -2.67 1.13 -1.00 -1.46 -3.43 116.94 108.93 2k0f h PHE 15 Ca -0.01 -0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.23 2k0f h PHE 15 Cb 0.52 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 2k0f h PHE 15 CO 0.10 0.88 1.04 0.34 -1.61 0.00 0.00 178.31 179.05 2k0f s ASP 16 N -6.10 6.70 0.09 2.17 2.15 -0.09 -4.56 116.67 117.03 2k0f s ASP 16 Ca -0.18 2.21 0.22 0.00 0.43 0.00 0.00 52.55 55.24 2k0f s ASP 16 Cb -0.02 -2.54 -0.12 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 16 CO 0.67 -0.89 0.83 0.29 -0.17 0.00 0.00 175.17 175.90 2k0f n LYS 17 N 6.75 0.58 -0.08 4.34 4.76 -1.26 -4.20 118.16 129.04 2k0f n LYS 17 Ca 0.16 -0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 2k0f n LYS 17 Cb 0.43 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 31.82 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -2.42 1.97 -0.02 4.39 8.00 -1.26 -5.01 116.55 122.21 2k0f n ASP 18 Ca -0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2k0f n ASP 18 Cb 0.54 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.67 0.97 0.05 0.44 0.00 -1.26 -4.98 105.19 102.09 2k0f n GLY 19 Ca -0.38 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 1.24 0.64 0.00 1.61 5.75 -1.26 -4.98 116.55 119.56 2k0f n ASP 20 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2k0f n ASP 20 Cb 0.32 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 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 1.34 1.05 2.85 6.12 0.00 -1.26 -5.08 105.19 110.21 2k0f n GLY 21 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N -2.00 0.45 -0.27 2.61 2.01 -1.26 -3.71 115.64 113.48 2k0f s THR 22 Ca 0.00 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2k0f s THR 22 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2k0f s THR 22 CO 0.00 0.22 0.14 -0.63 -0.69 0.00 0.00 174.62 173.67 2k0f s ILE 23 N 1.18 4.95 0.67 1.82 1.01 0.47 -4.73 121.20 126.58 2k0f s ILE 23 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2k0f s ILE 23 Cb -0.14 -3.34 0.10 0.00 0.01 0.00 0.00 42.46 39.09 2k0f s ILE 23 CO -0.01 0.29 0.93 0.42 0.00 0.00 0.00 174.94 176.56 2k0f s THR 24 N 1.65 2.26 0.41 2.92 -4.23 -1.26 -0.85 115.64 116.53 2k0f s THR 24 Ca 0.07 -0.64 0.14 0.00 -1.18 0.00 0.00 61.69 60.07 2k0f s THR 24 Cb -0.16 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.20 2k0f s THR 24 CO 0.08 0.00 1.91 0.71 -0.54 0.00 0.00 174.62 176.78 2k0f h THR 25 N -0.34 1.20 -0.19 3.99 1.35 -1.97 -1.03 112.91 115.93 2k0f h THR 25 Ca -0.37 -0.96 -0.11 0.00 -0.55 0.00 0.00 66.41 64.42 2k0f h THR 25 Cb 1.28 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2k0f h THR 25 CO 0.43 0.28 -0.29 0.50 -0.25 0.00 0.00 175.52 176.18 2k0f h LYS 26 N 0.00 0.53 0.02 4.72 3.64 -1.97 0.35 116.57 123.86 2k0f h LYS 26 Ca -0.00 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2k0f h LYS 26 Cb 0.50 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2k0f h LYS 26 CO 0.04 0.92 -0.01 0.93 -2.27 0.00 0.00 179.45 179.06 2k0f h GLU 27 N 0.19 -0.02 -0.17 1.90 5.08 -1.82 0.29 114.58 120.02 2k0f h GLU 27 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 27 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 27 CO 0.07 0.43 0.11 1.25 -1.00 0.00 0.00 179.01 179.86 2k0f h LEU 28 N -0.48 0.19 -0.80 1.33 5.85 -1.28 -2.79 115.31 117.33 2k0f h LEU 28 Ca -0.00 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 28 Cb 0.46 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.33 2k0f h LEU 28 CO 0.00 0.14 -0.49 1.23 -0.34 0.00 0.00 178.44 178.98 2k0f h GLY 29 N 0.22 -0.53 0.60 3.75 0.00 -0.42 -2.12 103.07 104.57 2k0f h GLY 29 Ca 0.06 0.65 0.17 0.00 0.00 0.00 0.00 47.33 48.22 2k0f h GLY 29 CO -0.02 -0.09 0.52 -0.84 0.00 0.00 0.00 176.54 176.10 2k0f h THR 30 N -0.12 0.74 0.06 4.70 2.02 -0.19 0.33 112.91 120.44 2k0f h THR 30 Ca 0.20 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2k0f h THR 30 Cb 0.52 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2k0f h THR 30 CO -0.83 0.06 -0.03 0.58 0.37 0.00 0.00 175.52 175.67 2k0f h VAL 31 N 0.32 0.00 -0.83 3.16 2.07 -1.13 -2.12 116.25 117.71 2k0f h VAL 31 Ca 0.38 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 68.08 2k0f h VAL 31 Cb 1.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 31 CO -0.10 0.00 0.30 0.24 0.02 0.00 0.00 177.57 178.03 2k0f h MET 32 N -0.09 0.34 -0.12 1.57 2.86 -1.45 -1.92 114.93 116.12 2k0f h MET 32 Ca -0.01 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2k0f h MET 32 Cb 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2k0f h MET 32 CO 0.01 0.23 -0.23 -0.09 1.06 0.00 0.00 176.91 177.89 2k0f h ARG 33 N 0.35 0.38 -0.25 1.72 2.43 -0.32 0.23 114.38 118.92 2k0f h ARG 33 Ca 0.50 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.32 2k0f h ARG 33 Cb 0.90 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2k0f h ARG 33 CO -0.52 0.83 -0.30 0.77 -1.51 0.00 0.00 179.97 179.24 2k0f h SER 34 N -0.04 0.51 0.27 -3.80 0.02 -1.14 -3.30 113.55 106.08 2k0f h SER 34 Ca 0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 34 Cb 0.82 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2k0f h SER 34 CO 0.05 0.79 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.34 2k0f h LEU 35 N 0.43 -0.31 0.00 5.07 3.38 -1.25 -3.48 115.31 119.16 2k0f h LEU 35 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0f h LEU 35 Cb 0.75 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k0f h LEU 35 CO 0.06 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.03 2k0f n GLY 36 N -0.32 -1.64 3.62 0.83 0.00 0.78 -5.08 105.19 103.37 2k0f n GLY 36 Ca -0.05 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.99 3.66 -0.23 1.61 2.00 -1.07 -4.80 119.66 118.84 2k0f s GLN 37 Ca 0.00 1.55 -0.16 0.00 -2.00 0.00 0.00 55.36 54.75 2k0f s GLN 37 Cb 0.00 -4.08 -0.04 0.00 0.80 0.00 0.00 33.01 29.69 2k0f s GLN 37 CO 0.00 -1.46 0.42 1.21 -0.50 0.00 0.00 175.29 174.95 2k0f s ASN 38 N 4.71 6.40 0.94 6.67 2.47 -1.26 -3.25 114.94 131.63 2k0f s ASN 38 Ca 0.73 0.47 -0.12 0.00 0.42 0.00 0.00 52.86 54.36 2k0f s ASN 38 Cb -0.24 -2.24 0.19 0.00 -1.45 0.00 0.00 41.25 37.52 2k0f s ASN 38 CO 0.31 -0.14 1.17 -0.81 -3.72 0.00 0.00 177.10 173.91 2k0f n PRO 39 N 4.84 -0.98 -3.30 0.43 -0.04 -1.26 -5.05 135.00 129.64 2k0f n PRO 39 Ca -0.08 -2.01 -0.38 0.00 -0.04 0.00 0.00 63.50 60.99 2k0f n PRO 39 Cb 0.51 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 2k0f n PRO 39 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k0f s THR 40 N -3.51 4.77 0.08 0.52 2.01 -1.26 -4.97 115.64 113.28 2k0f s THR 40 Ca 0.68 1.15 0.24 0.00 0.31 0.00 0.00 61.69 64.07 2k0f s THR 40 Cb -0.02 -3.87 0.24 0.00 0.01 0.00 0.00 72.50 68.86 2k0f s THR 40 CO 0.47 0.52 1.80 -0.08 -0.69 0.00 0.00 174.62 176.64 2k0f h GLU 41 N 4.43 0.00 -0.61 4.92 4.81 -1.98 -0.38 114.58 125.77 2k0f h GLU 41 Ca -0.50 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2k0f h GLU 41 Cb 1.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2k0f h GLU 41 CO 0.63 0.21 0.28 0.00 -0.73 0.00 0.00 179.01 179.40 2k0f h ALA 42 N 1.79 0.81 0.00 2.92 0.00 -1.99 -0.32 119.26 122.47 2k0f h ALA 42 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 42 Cb 0.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 42 CO 0.03 -0.11 -0.54 0.93 0.00 0.00 0.00 179.25 179.56 2k0f h GLU 43 N 0.50 0.00 -0.15 0.00 5.08 -1.54 -2.39 114.58 116.08 2k0f h GLU 43 Ca 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 43 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 43 CO -0.25 0.01 0.05 1.25 -1.00 0.00 0.00 179.01 179.08 2k0f h LEU 44 N 0.00 0.21 -0.61 1.33 5.85 -0.94 -2.04 115.31 119.12 2k0f h LEU 44 Ca -0.00 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 2k0f h LEU 44 Cb 1.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 44 CO 0.00 0.33 -0.61 1.56 -0.34 0.00 0.00 178.44 179.39 2k0f h GLN 45 N 0.08 0.31 0.29 1.25 4.20 -1.06 -2.83 115.11 117.35 2k0f h GLN 45 Ca 0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2k0f h GLN 45 Cb 0.19 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2k0f h GLN 45 CO -0.00 0.82 -0.14 0.22 -0.67 0.00 0.00 178.83 179.06 2k0f h ASP 46 N 0.23 -0.33 -0.52 1.46 3.58 -1.35 -1.30 116.42 118.18 2k0f h ASP 46 Ca -0.01 -0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 1.12 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 2k0f h ASP 46 CO 0.10 -0.10 0.35 0.00 -2.88 0.00 0.00 179.24 176.71 2k0f h MET 47 N -0.55 0.26 -0.06 0.28 -0.00 -1.38 -0.94 114.93 112.53 2k0f h MET 47 Ca -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.63 2k0f h MET 47 Cb 0.41 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.95 2k0f h MET 47 CO 0.07 0.17 -0.03 0.82 -0.00 0.00 0.00 176.91 177.94 2k0f h ILE 48 N 0.26 1.32 0.00 -0.10 2.04 -1.51 -3.32 117.51 116.20 2k0f h ILE 48 Ca 0.24 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2k0f h ILE 48 Cb 0.60 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2k0f h ILE 48 CO -0.05 0.28 -0.28 -1.13 0.00 0.00 0.00 178.15 176.97 2k0f h ASN 49 N -0.25 0.00 -0.55 1.72 -1.24 0.01 0.15 115.58 115.43 2k0f h ASN 49 Ca 0.01 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.17 2k0f h ASN 49 Cb 0.45 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 2k0f h ASN 49 CO 0.01 0.28 0.39 -0.33 -1.29 0.00 0.00 177.43 176.48 2k0f h GLU 50 N 0.00 0.07 0.03 6.67 5.08 -1.40 -2.95 114.58 122.07 2k0f h GLU 50 Ca -0.00 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 50 Cb 0.75 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2k0f h GLU 50 CO 0.04 0.04 -2.32 0.28 -1.00 0.00 0.00 179.01 176.05 2k0f n VAL 51 N -4.40 1.54 -1.68 3.13 0.31 0.12 -5.01 118.33 112.34 2k0f n VAL 51 Ca 0.10 -0.66 -0.46 0.00 -0.01 0.00 0.00 64.34 63.32 2k0f n VAL 51 Cb 0.57 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 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 -3.20 3.43 0.00 4.52 2.03 0.28 -4.86 116.55 118.75 2k0f n ASP 52 Ca -0.39 1.04 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2k0f n ASP 52 Cb 1.04 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 4.65 0.00 -0.03 -1.67 0.00 -1.26 -4.83 120.51 117.37 2k0f n ALA 53 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2k0f n ALA 53 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.91 -0.08 0.00 0.00 5.68 -1.26 -4.94 116.55 114.04 2k0f n ASP 54 Ca 0.00 0.83 0.00 0.00 -0.50 0.00 0.00 54.79 55.12 2k0f n ASP 54 Cb 0.00 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 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 -1.02 -0.83 0.12 6.12 0.00 -1.26 -5.01 105.19 103.31 2k0f n GLY 55 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.52 -3.33 1.61 7.08 -1.98 -3.48 115.58 116.00 2k0f h ASN 56 Ca 0.00 -0.57 -0.20 0.00 -3.08 0.00 0.00 56.30 52.46 2k0f h ASN 56 Cb 0.00 -0.17 0.07 0.00 -2.08 0.00 0.00 38.32 36.14 2k0f h ASN 56 CO 0.00 1.44 -0.33 0.61 -2.08 0.00 0.00 177.43 177.07 2k0f n GLY 57 N 1.58 0.20 3.28 9.14 0.00 -1.26 -5.05 105.19 113.08 2k0f n GLY 57 Ca -0.11 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -3.13 1.84 -0.31 2.61 -4.23 -1.26 -4.79 115.64 106.37 2k0f s THR 58 Ca 0.28 -1.16 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 2k0f s THR 58 Cb -0.12 -1.57 -0.00 0.00 1.34 0.00 0.00 72.50 72.14 2k0f s THR 58 CO 0.35 0.36 0.69 -0.63 -0.54 0.00 0.00 174.62 174.86 2k0f s ILE 59 N -0.70 4.87 0.56 2.99 1.01 -0.03 -4.86 121.20 125.03 2k0f s ILE 59 Ca 0.09 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.72 2k0f s ILE 59 Cb -0.09 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.35 2k0f s ILE 59 CO 0.01 -0.21 0.78 -1.81 0.00 0.00 0.00 174.94 173.71 2k0f s ASP 60 N 1.65 5.19 0.05 3.58 1.11 -1.26 -0.40 116.67 126.61 2k0f s ASP 60 Ca 0.28 -0.15 -0.36 0.00 0.18 0.00 0.00 52.55 52.51 2k0f s ASP 60 Cb -0.14 -0.68 -0.20 0.00 1.07 0.00 0.00 42.92 42.97 2k0f s ASP 60 CO 0.13 -1.20 1.50 0.15 1.18 0.00 0.00 175.17 176.93 2k0f h PHE 61 N 0.07 -1.16 0.00 4.23 3.57 -1.97 -1.87 116.94 119.82 2k0f h PHE 61 Ca -0.40 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.29 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2k0f h PHE 61 CO 0.31 -0.72 0.00 -1.00 -2.23 0.00 0.00 178.31 174.67 2k0f h PRO 62 N -1.29 0.00 0.20 6.41 0.13 -1.96 -2.26 132.00 133.23 2k0f h PRO 62 Ca -0.13 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.70 2k0f h PRO 62 Cb 0.96 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.11 2k0f h PRO 62 CO 0.21 0.00 -1.40 0.93 -0.23 0.00 0.00 178.00 177.51 2k0f h GLU 63 N 0.00 0.43 -0.59 0.86 5.08 -1.76 0.12 114.58 118.72 2k0f h GLU 63 Ca 0.00 -0.73 -0.05 0.00 -1.00 0.00 0.00 59.36 57.58 2k0f h GLU 63 Cb 0.19 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 63 CO 0.00 1.35 0.16 0.35 -1.00 0.00 0.00 179.01 179.88 2k0f h PHE 64 N -0.02 0.92 -0.04 4.33 3.57 -1.38 -2.34 116.94 121.96 2k0f h PHE 64 Ca -0.26 -0.08 -0.26 0.00 3.53 0.00 0.00 57.97 60.90 2k0f h PHE 64 Cb 2.00 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 40.49 2k0f h PHE 64 CO 0.14 0.75 -0.97 1.25 -2.23 0.00 0.00 178.31 177.25 2k0f h LEU 65 N 0.86 0.93 -2.40 0.59 5.85 -1.41 -3.23 115.31 116.50 2k0f h LEU 65 Ca 0.19 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2k0f h LEU 65 Cb 0.28 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k0f h LEU 65 CO -0.01 1.51 -0.03 0.74 -0.34 0.00 0.00 178.44 180.31 2k0f h THR 66 N 0.44 0.31 -0.40 1.05 2.02 -0.64 0.17 112.91 115.87 2k0f h THR 66 Ca -0.11 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2k0f h THR 66 Cb 1.62 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2k0f h THR 66 CO 0.19 0.03 -0.01 -0.03 0.37 0.00 0.00 175.52 176.08 2k0f h MET 67 N 0.00 0.71 0.19 6.66 1.85 -1.44 -3.09 114.93 119.81 2k0f h MET 67 Ca -0.00 -0.23 -0.32 0.00 -0.61 0.00 0.00 59.70 58.54 2k0f h MET 67 Cb 0.14 -0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.12 2k0f h MET 67 CO 0.00 0.81 -1.55 0.52 -0.40 0.00 0.00 176.91 176.29 2k0f h MET 68 N 0.54 0.39 0.00 0.39 2.07 -1.46 -3.36 114.93 113.50 2k0f h MET 68 Ca 0.11 -0.67 -0.13 0.00 -2.07 0.00 0.00 59.70 56.94 2k0f h MET 68 Cb 0.49 0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 30.45 2k0f h MET 68 CO 0.02 1.32 -0.62 0.00 1.07 0.00 0.00 176.91 178.70 2k0f h ALA 69 N 0.09 0.83 -2.33 6.32 0.00 -0.81 -3.44 119.26 119.91 2k0f h ALA 69 Ca -0.30 -0.57 -0.52 0.00 0.00 0.00 0.00 54.91 53.53 2k0f h ALA 69 Cb 2.01 -0.10 0.15 0.00 0.00 0.00 0.00 17.79 19.85 2k0f h ALA 69 CO 0.17 0.78 0.30 -0.98 0.00 0.00 0.00 179.25 179.53 2k0f s ARG 70 N -3.36 2.01 -0.16 0.00 1.70 -1.17 -5.02 118.95 112.95 2k0f s ARG 70 Ca 0.00 1.30 -0.12 0.00 -0.47 0.00 0.00 55.73 56.44 2k0f s ARG 70 Cb 0.11 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.59 2k0f s ARG 70 CO 0.75 -1.85 0.23 0.21 -1.08 0.00 0.00 175.30 173.56 2k0f s LYS 71 N -4.75 4.09 0.51 3.89 2.47 -1.26 -5.01 119.74 119.69 2k0f s LYS 71 Ca 0.63 -0.02 0.04 0.00 -1.56 0.00 0.00 55.97 55.06 2k0f s LYS 71 Cb -0.19 -3.38 0.04 0.00 -1.46 0.00 0.00 37.83 32.84 2k0f s LYS 71 CO 0.55 0.37 0.30 -1.33 0.16 0.00 0.00 175.35 175.40 2k0f n MET 72 N 3.20 0.75 -0.66 4.03 2.81 -1.26 -5.15 117.12 120.84 2k0f n MET 72 Ca -0.14 -3.29 -0.09 0.00 -1.81 0.00 0.00 57.70 52.37 2k0f n MET 72 Cb 0.52 0.48 0.06 0.00 -0.71 0.00 0.00 33.22 33.57 2k0f n MET 72 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k0f n LYS 73 N -1.60 -0.29 0.16 0.03 2.85 -1.26 -4.78 118.16 113.27 2k0f n LYS 73 Ca -0.06 -0.65 0.04 0.00 -1.05 0.00 0.00 58.31 56.58 2k0f n LYS 73 Cb 0.59 -0.39 0.12 0.00 -0.65 0.00 0.00 35.03 34.71 2k0f n LYS 73 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2k0f h ASP 74 N -0.48 0.00 -0.10 -5.58 2.03 -2.01 -1.54 116.42 108.73 2k0f h ASP 74 Ca -0.13 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.07 2k0f h ASP 74 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 2k0f h ASP 74 CO 0.09 0.46 -0.34 0.71 -1.03 0.00 0.00 179.24 179.14 2k0f h THR 75 N 0.00 1.39 -0.23 1.15 1.35 -2.00 -3.05 112.91 111.52 2k0f h THR 75 Ca -0.00 -1.67 -0.16 0.00 -0.55 0.00 0.00 66.41 64.02 2k0f h THR 75 Cb 1.24 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.84 2k0f h THR 75 CO 0.06 0.49 -0.51 0.44 -0.25 0.00 0.00 175.52 175.75 2k0f h ASP 76 N -0.03 0.72 0.74 5.36 5.19 -1.93 -2.44 116.42 124.02 2k0f h ASP 76 Ca -0.01 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2k0f h ASP 76 Cb 0.96 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2k0f h ASP 76 CO 0.07 1.10 0.00 -1.20 -3.12 0.00 0.00 179.24 176.09 2k0f n SER 77 N -3.99 0.00 -0.11 6.45 7.64 -0.58 -0.88 113.62 122.16 2k0f n SER 77 Ca -0.03 0.47 -0.18 0.00 1.01 0.00 0.00 58.87 60.13 2k0f n SER 77 Cb 0.59 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.49 0.54 0.23 1.43 4.07 -1.13 -4.51 120.64 119.79 2k0f n GLU 78 Ca 0.06 0.37 0.10 0.00 -0.06 0.00 0.00 57.16 57.62 2k0f n GLU 78 Cb 0.25 -1.57 0.58 0.00 -0.06 0.00 0.00 31.44 30.64 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2k0f h GLU 79 N -1.00 0.00 -0.73 5.31 5.08 -1.35 -1.59 114.58 120.30 2k0f h GLU 79 Ca -0.32 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 79 Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 2k0f h GLU 79 CO -0.20 0.20 0.06 1.49 -1.00 0.00 0.00 179.01 179.57 2k0f h GLU 80 N 0.00 0.15 0.00 2.33 4.81 -1.24 -0.14 114.58 120.48 2k0f h GLU 80 Ca -0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 80 Cb 0.51 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 80 CO 0.03 0.10 -0.73 0.82 -0.73 0.00 0.00 179.01 178.50 2k0f h ILE 81 N 0.15 1.12 -0.03 2.32 1.08 -1.53 -2.70 117.51 117.92 2k0f h ILE 81 Ca 0.41 -2.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.23 2k0f h ILE 81 Cb 0.71 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.01 2k0f h ILE 81 CO -0.60 0.64 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.30 2k0f h ARG 82 N 0.00 0.12 -0.37 2.37 9.65 -0.97 -2.45 114.38 122.73 2k0f h ARG 82 Ca -0.02 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 2k0f h ARG 82 Cb 1.53 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 30.11 2k0f h ARG 82 CO 0.09 0.73 0.10 0.93 2.80 0.00 0.00 179.97 184.61 2k0f h GLU 83 N -0.46 0.54 -0.70 0.20 4.39 -0.95 -1.46 114.58 116.15 2k0f h GLU 83 Ca -0.00 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 83 Cb 0.74 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 2k0f h GLU 83 CO 0.02 0.50 0.42 0.00 -1.16 0.00 0.00 179.01 178.80 2k0f h ALA 84 N 1.57 0.92 -0.13 3.43 0.00 -1.54 -2.69 119.26 120.82 2k0f h ALA 84 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 84 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 84 CO -0.00 0.17 0.03 0.35 0.00 0.00 0.00 179.25 179.80 2k0f h PHE 85 N 0.82 0.22 0.00 0.00 3.57 -1.13 -3.24 116.94 117.18 2k0f h PHE 85 Ca 0.29 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2k0f h PHE 85 Cb 0.07 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2k0f h PHE 85 CO -0.05 0.38 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.32 2k0f h ARG 86 N 0.00 0.00 0.19 1.11 2.43 -1.03 -1.61 114.38 115.47 2k0f h ARG 86 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2k0f h ARG 86 Cb 0.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2k0f h ARG 86 CO 0.00 0.00 -0.32 0.28 -1.51 0.00 0.00 179.97 178.43 2k0f h VAL 87 N 0.00 0.32 0.88 0.20 2.07 -1.51 -3.28 116.25 114.93 2k0f h VAL 87 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k0f h VAL 87 Cb 0.01 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2k0f h VAL 87 CO 0.00 0.00 -0.42 -0.26 0.02 0.00 0.00 177.57 176.91 2k0f h PHE 88 N -0.59 -1.10 -2.67 1.57 0.04 -1.62 -3.45 116.94 109.12 2k0f h PHE 88 Ca 0.01 -0.03 -0.56 0.00 2.80 0.00 0.00 57.97 60.20 2k0f h PHE 88 Cb 0.59 0.36 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 2k0f h PHE 88 CO -0.25 -0.68 1.16 0.34 -0.60 0.00 0.00 178.31 178.27 2k0f s ASP 89 N -4.20 6.35 -0.10 2.17 2.15 -0.63 -4.76 116.67 117.64 2k0f s ASP 89 Ca -0.17 1.77 -0.08 0.00 0.43 0.00 0.00 52.55 54.49 2k0f s ASP 89 Cb 0.02 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 89 CO 0.52 -1.26 -0.16 1.17 -0.17 0.00 0.00 175.17 175.27 2k0f n LYS 90 N 7.67 0.31 -0.19 4.34 4.81 -1.26 -4.57 118.16 129.27 2k0f n LYS 90 Ca 0.19 0.31 -0.00 0.00 -0.87 0.00 0.00 58.31 57.94 2k0f n LYS 90 Cb 0.45 -1.25 0.10 0.00 0.02 0.00 0.00 35.03 34.35 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -0.64 0.15 0.00 3.14 2.03 -1.94 -3.48 116.42 115.68 2k0f h ASP 91 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2k0f h ASP 91 Cb 0.45 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2k0f h ASP 91 CO 0.00 0.09 0.00 0.61 -1.03 0.00 0.00 179.24 178.91 2k0f n GLY 92 N -1.30 1.99 0.23 7.15 0.00 -1.26 -5.00 105.19 107.01 2k0f n GLY 92 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 1.61 -1.07 -1.96 -3.47 115.58 110.69 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.14 0.00 0.61 0.07 0.00 0.00 177.43 178.25 2k0f n GLY 94 N 0.45 0.73 3.21 9.14 0.00 -1.26 -5.10 105.19 112.37 2k0f n GLY 94 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.32 -0.51 1.61 1.51 -1.26 -4.43 117.35 114.59 2k0f s TYR 95 Ca 0.00 -0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 55.07 2k0f s TYR 95 Cb 0.00 -1.55 0.08 0.00 -0.11 0.00 0.00 41.96 40.38 2k0f s TYR 95 CO 0.00 -0.30 0.54 0.42 -1.11 0.00 0.00 175.55 175.10 2k0f s ILE 96 N 0.14 5.03 0.74 2.71 1.01 -0.72 -4.83 121.20 125.28 2k0f s ILE 96 Ca -0.11 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 2k0f s ILE 96 Cb -0.15 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.09 2k0f s ILE 96 CO 0.06 -0.77 1.10 -0.94 0.00 0.00 0.00 174.94 174.39 2k0f s SER 97 N 2.87 5.08 0.53 3.58 1.04 -1.26 -1.04 113.70 124.49 2k0f s SER 97 Ca 0.09 1.18 0.30 0.00 0.48 0.00 0.00 55.95 58.00 2k0f s SER 97 Cb -0.23 -1.95 1.44 0.00 0.10 0.00 0.00 66.02 65.39 2k0f s SER 97 CO 0.08 -1.58 2.04 0.00 0.98 0.00 0.00 173.24 174.76 2k0f h ALA 98 N -0.82 1.14 -0.10 5.32 0.00 -1.98 -0.95 119.26 121.86 2k0f h ALA 98 Ca -0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 98 Cb 1.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 98 CO 0.62 0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.00 2k0f h ALA 99 N 1.89 0.14 -0.65 0.00 0.00 -1.95 -1.05 119.26 117.64 2k0f h ALA 99 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 99 Cb 0.42 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 99 CO 0.01 -0.17 0.33 0.93 0.00 0.00 0.00 179.25 180.35 2k0f h GLU 100 N -0.09 0.93 -0.36 0.00 5.08 -1.75 0.33 114.58 118.73 2k0f h GLU 100 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 100 Cb 0.35 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 100 CO 0.01 0.73 0.17 -0.07 -1.00 0.00 0.00 179.01 178.84 2k0f h LEU 101 N 0.90 0.47 -0.29 1.33 3.38 -1.12 -2.78 115.31 117.19 2k0f h LEU 101 Ca 0.23 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 101 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k0f h LEU 101 CO -0.03 0.47 -0.10 -0.09 0.09 0.00 0.00 178.44 178.78 2k0f h ARG 102 N 0.44 0.59 -0.62 1.13 2.43 -0.81 -2.64 114.38 114.89 2k0f h ARG 102 Ca 0.12 -0.24 0.10 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 0.13 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.54 2k0f h ARG 102 CO -0.01 0.80 -0.41 1.25 -1.51 0.00 0.00 179.97 180.09 2k0f h HIS 103 N 0.35 -1.17 0.22 2.20 2.76 -0.39 -1.01 115.15 118.10 2k0f h HIS 103 Ca 0.07 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2k0f h HIS 103 Cb 0.60 0.60 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 2k0f h HIS 103 CO 0.06 -0.41 -0.23 0.28 -1.30 0.00 0.00 177.93 176.33 2k0f h VAL 104 N -0.19 0.51 -0.33 5.26 2.07 -1.47 -1.59 116.25 120.52 2k0f h VAL 104 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 2k0f h VAL 104 Cb 0.56 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 104 CO -0.71 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 176.95 2k0f h MET 105 N -0.48 -0.11 -0.00 1.57 2.07 -1.34 0.24 114.93 116.88 2k0f h MET 105 Ca 0.00 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.66 2k0f h MET 105 Cb 0.45 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 2k0f h MET 105 CO -0.06 -0.07 -0.16 1.15 1.07 0.00 0.00 176.91 178.84 2k0f h THR 106 N -0.12 0.61 0.00 2.22 2.02 -1.17 0.16 112.91 116.64 2k0f h THR 106 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2k0f h THR 106 Cb 0.37 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2k0f h THR 106 CO -0.41 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.26 2k0f h ASN 107 N -0.26 0.00 -0.44 4.18 2.35 -0.89 -3.08 115.58 117.43 2k0f h ASN 107 Ca 0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 2k0f h ASN 107 CO -0.15 0.00 0.04 0.25 -1.65 0.00 0.00 177.43 175.91 2k0f h LEU 108 N 0.00 0.73 0.00 1.61 5.85 -0.41 -3.42 115.31 119.67 2k0f h LEU 108 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2k0f h LEU 108 Cb 0.93 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2k0f h LEU 108 CO 0.00 0.83 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 2k0f n GLY 109 N -0.44 0.00 3.75 3.75 0.00 -1.03 -4.65 105.19 106.57 2k0f n GLY 109 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.78 -0.39 1.61 0.41 0.54 -4.96 118.70 120.69 2k0f s GLU 110 Ca 0.00 1.60 -0.02 0.00 -0.41 0.00 0.00 54.97 56.13 2k0f s GLU 110 Cb 0.00 -3.24 0.10 0.00 -1.78 0.00 0.00 34.13 29.21 2k0f s GLU 110 CO 0.00 0.41 0.17 0.15 -0.49 0.00 0.00 175.26 175.49 2k0f s LYS 111 N -1.30 2.04 -0.16 1.61 1.02 -1.26 -3.92 119.74 117.78 2k0f s LYS 111 Ca 0.42 -1.74 -0.07 0.00 0.02 0.00 0.00 55.97 54.61 2k0f s LYS 111 Cb -0.28 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2k0f s LYS 111 CO 0.35 -1.00 0.07 -0.51 -0.92 0.00 0.00 175.35 173.34 2k0f s LEU 112 N 1.15 3.87 0.52 3.17 1.43 -1.26 -5.11 118.68 122.44 2k0f s LEU 112 Ca 0.06 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2k0f s LEU 112 Cb -0.22 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2k0f s LEU 112 CO -0.04 0.23 0.82 0.42 0.23 0.00 0.00 176.35 178.02 2k0f s THR 113 N 0.02 4.27 0.31 5.49 -4.23 -1.26 -5.02 115.64 115.22 2k0f s THR 113 Ca 0.06 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 2k0f s THR 113 Cb -0.12 -3.65 0.10 0.00 1.34 0.00 0.00 72.50 70.17 2k0f s THR 113 CO 0.01 -0.63 1.78 0.44 -0.54 0.00 0.00 174.62 175.68 2k0f h ASP 114 N 0.07 0.46 0.36 3.99 3.32 -2.00 -2.50 116.42 120.12 2k0f h ASP 114 Ca -0.46 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.37 2k0f h ASP 114 Cb 1.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2k0f h ASP 114 CO 0.61 0.65 -0.39 1.05 -1.72 0.00 0.00 179.24 179.43 2k0f h GLU 115 N 0.43 0.05 0.17 3.56 4.11 -1.99 -2.36 114.58 118.55 2k0f h GLU 115 Ca 0.08 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.54 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 115 CO 0.03 0.44 -1.08 1.49 0.07 0.00 0.00 179.01 179.97 2k0f h GLU 116 N 0.05 0.35 -0.24 1.06 4.81 -1.87 -1.96 114.58 116.78 2k0f h GLU 116 Ca 0.00 -0.60 0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2k0f h GLU 116 Cb 0.72 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 2k0f h GLU 116 CO 0.05 1.29 -0.32 0.28 -0.73 0.00 0.00 179.01 179.58 2k0f h VAL 117 N -0.23 0.27 -0.26 0.32 2.07 -1.37 -1.49 116.25 115.55 2k0f h VAL 117 Ca -0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2k0f h VAL 117 Cb 1.79 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2k0f h VAL 117 CO 0.17 0.00 0.03 -0.78 0.02 0.00 0.00 177.57 177.01 2k0f h ASP 118 N -0.33 -0.03 -0.66 0.57 1.82 -1.52 0.32 116.42 116.59 2k0f h ASP 118 Ca 0.13 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.92 2k0f h ASP 118 Cb 0.53 0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 2k0f h ASP 118 CO -0.42 0.02 0.27 -0.08 -1.61 0.00 0.00 179.24 177.41 2k0f h GLU 119 N 0.12 0.44 -0.31 0.28 4.81 -1.31 -0.29 114.58 118.33 2k0f h GLU 119 Ca 0.12 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 119 Cb 0.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 119 CO -0.18 0.29 0.10 0.52 -0.73 0.00 0.00 179.01 179.02 2k0f h MET 120 N 0.46 0.47 -0.29 1.92 2.86 -1.12 -0.62 114.93 118.61 2k0f h MET 120 Ca 0.34 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 120 Cb 0.43 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 120 CO -0.32 0.51 0.18 0.82 1.06 0.00 0.00 176.91 179.16 2k0f h ILE 121 N 0.34 1.06 -0.37 -1.22 1.08 -0.55 -2.80 117.51 115.03 2k0f h ILE 121 Ca 0.10 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2k0f h ILE 121 Cb 0.23 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 2k0f h ILE 121 CO -0.00 0.07 0.14 -0.09 -0.69 0.00 0.00 178.15 177.57 2k0f h ARG 122 N 0.37 0.28 -0.56 2.37 2.43 -0.99 0.23 114.38 118.51 2k0f h ARG 122 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 122 Cb -0.03 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2k0f h ARG 122 CO -0.04 0.19 0.01 1.49 -1.51 0.00 0.00 179.97 180.11 2k0f h GLU 123 N 0.29 0.99 0.19 0.20 4.81 -1.01 -3.29 114.58 116.75 2k0f h GLU 123 Ca 0.17 -0.31 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 123 Cb 0.14 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 123 CO -0.17 0.98 -1.09 0.00 -0.73 0.00 0.00 179.01 178.01 2k0f h ALA 124 N 0.97 -0.12 -2.15 2.92 0.00 -1.23 -3.40 119.26 116.24 2k0f h ALA 124 Ca 0.16 -0.76 -0.81 0.00 0.00 0.00 0.00 54.91 53.50 2k0f h ALA 124 Cb 0.53 0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.17 2k0f h ALA 124 CO 0.03 0.51 0.67 -3.47 0.00 0.00 0.00 179.25 176.99 2k0f n ASP 125 N -3.96 6.09 0.26 0.00 2.03 0.78 -4.71 116.55 117.04 2k0f n ASP 125 Ca -0.15 -3.27 0.15 0.00 0.52 0.00 0.00 54.79 52.04 2k0f n ASP 125 Cb 0.94 -1.31 0.59 0.00 -0.72 0.00 0.00 41.12 40.61 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2k0f h ILE 126 N 3.51 0.17 0.03 5.18 6.09 -1.79 -3.32 117.51 127.37 2k0f h ILE 126 Ca 0.19 -0.72 -0.00 0.00 -1.37 0.00 0.00 64.86 62.96 2k0f h ILE 126 Cb 0.71 1.62 0.00 0.00 0.47 0.00 0.00 36.82 39.62 2k0f h ILE 126 CO 1.22 0.07 -0.01 -2.24 -3.07 0.00 0.00 178.15 174.11 2k0f h ASP 127 N 0.00 -0.04 0.00 2.19 2.03 -1.95 -3.50 116.42 115.16 2k0f h ASP 127 Ca -0.00 -0.68 0.00 0.00 -0.73 0.00 0.00 57.03 55.62 2k0f h ASP 127 Cb 0.61 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2k0f h ASP 127 CO 0.01 0.74 0.00 0.61 -1.03 0.00 0.00 179.24 179.57 2k0f n GLY 128 N 1.23 0.82 0.15 7.15 0.00 -1.25 -5.01 105.19 108.29 2k0f n GLY 128 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 -0.23 1.61 2.03 -1.96 -3.47 116.42 114.40 2k0f h ASP 129 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 2k0f h ASP 129 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2k0f h ASP 129 CO 0.00 0.48 -0.05 0.61 -1.03 0.00 0.00 179.24 179.25 2k0f n GLY 130 N 0.93 0.36 2.95 7.15 0.00 -1.26 -5.05 105.19 110.27 2k0f n GLY 130 Ca 0.01 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -3.53 0.81 -0.26 1.61 -0.21 -1.26 -4.11 119.66 112.72 2k0f s GLN 131 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 2k0f s GLN 131 Cb 0.00 -0.78 -0.05 0.00 1.00 0.00 0.00 33.01 33.18 2k0f s GLN 131 CO 0.00 0.04 0.17 0.08 -2.12 0.00 0.00 175.29 173.46 2k0f s VAL 132 N 0.41 5.28 0.62 1.09 1.01 -0.21 -4.90 120.40 123.71 2k0f s VAL 132 Ca -0.06 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2k0f s VAL 132 Cb -0.10 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.90 2k0f s VAL 132 CO 0.00 0.30 0.86 0.54 0.00 0.00 0.00 175.10 176.80 2k0f s ASN 133 N 1.39 4.86 0.03 3.32 2.20 -1.26 -1.76 114.94 123.73 2k0f s ASN 133 Ca 0.07 -0.73 -0.21 0.00 -0.94 0.00 0.00 52.86 51.06 2k0f s ASN 133 Cb -0.15 0.24 -0.15 0.00 -2.00 0.00 0.00 41.25 39.19 2k0f s ASN 133 CO 0.07 -1.51 1.32 0.22 -2.94 0.00 0.00 177.10 174.26 2k0f h TYR 134 N -0.04 0.40 -0.98 1.54 3.20 -1.99 -2.19 116.97 116.92 2k0f h TYR 134 Ca -0.31 -0.13 0.18 0.00 3.14 0.00 0.00 58.73 61.61 2k0f h TYR 134 Cb 1.28 -0.08 -0.11 0.00 1.54 0.00 0.00 36.73 39.36 2k0f h TYR 134 CO 0.24 0.76 0.58 1.49 -1.64 0.00 0.00 178.16 179.58 2k0f h GLU 135 N -0.06 0.71 0.00 1.82 4.81 -1.97 0.56 114.58 120.44 2k0f h GLU 135 Ca 0.02 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 135 Cb 0.70 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 135 CO 0.04 0.47 -0.43 0.93 -0.73 0.00 0.00 179.01 179.29 2k0f h GLU 136 N 0.74 0.00 -0.21 1.92 5.08 -1.92 0.52 114.58 120.71 2k0f h GLU 136 Ca 0.56 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.78 2k0f h GLU 136 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k0f h GLU 136 CO -0.38 0.43 -0.42 0.35 -1.00 0.00 0.00 179.01 177.99 2k0f h PHE 137 N 0.00 0.82 -0.13 4.33 3.57 -0.66 0.16 116.94 125.02 2k0f h PHE 137 Ca -0.00 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 2k0f h PHE 137 Cb 0.79 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2k0f h PHE 137 CO 0.00 1.07 -0.09 0.28 -2.23 0.00 0.00 178.31 177.34 2k0f h VAL 138 N 0.34 1.33 0.31 1.41 2.07 0.63 -0.77 116.25 121.56 2k0f h VAL 138 Ca 0.01 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2k0f h VAL 138 Cb 1.02 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2k0f h VAL 138 CO 0.09 0.34 -0.15 -0.61 0.02 0.00 0.00 177.57 177.26 2k0f h GLN 139 N -0.07 -0.40 -0.22 1.57 4.15 -0.93 -2.51 115.11 116.70 2k0f h GLN 139 Ca 0.03 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2k0f h GLN 139 Cb 0.57 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2k0f h GLN 139 CO 0.02 -0.25 0.09 1.98 -1.93 0.00 0.00 178.83 178.74 2k0f h MET 140 N -0.44 0.33 0.00 1.69 4.05 -0.97 -3.37 114.93 116.23 2k0f h MET 140 Ca -0.04 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2k0f h MET 140 Cb 0.33 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k0f h MET 140 CO 0.07 0.39 -1.02 -1.33 0.23 0.00 0.00 176.91 175.25 2k0f n MET 141 N -4.81 0.29 0.00 0.39 2.81 -0.30 -5.07 117.12 110.43 2k0f n MET 141 Ca -0.03 -0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.87 2k0f n MET 141 Cb 0.13 -1.60 0.10 0.00 -0.71 0.00 0.00 33.22 31.14 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73