#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 0.39 -0.04 -2.82 4.39 -2.05 -2.86 114.58 111.59 2k0f h GLU 2 Ca 0.00 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 2k0f h GLU 2 Cb 0.00 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2k0f h GLU 2 CO 0.00 0.26 -0.82 0.93 -1.16 0.00 0.00 179.01 178.21 2k0f h GLU 3 N 0.40 0.38 0.80 2.33 3.07 -2.05 0.10 114.58 119.62 2k0f h GLU 3 Ca 0.65 -0.35 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 2k0f h GLU 3 Cb 1.35 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.36 2k0f h GLU 3 CO -0.56 1.01 -0.38 1.96 -1.40 0.00 0.00 179.01 179.64 2k0f h GLN 4 N 0.24 -1.04 -0.75 2.33 7.50 -1.97 -0.01 115.11 121.41 2k0f h GLN 4 Ca -0.05 0.07 0.17 0.00 0.50 0.00 0.00 58.65 59.34 2k0f h GLN 4 Cb 1.43 0.24 -0.13 0.00 0.05 0.00 0.00 27.48 29.06 2k0f h GLN 4 CO 0.14 -0.69 -0.05 0.82 -1.50 0.00 0.00 178.83 177.55 2k0f h ILE 5 N -1.27 0.31 -0.24 2.54 1.08 -1.29 0.48 117.51 119.12 2k0f h ILE 5 Ca -0.11 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2k0f h ILE 5 Cb 0.83 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2k0f h ILE 5 CO 0.18 0.01 0.16 0.00 -0.69 0.00 0.00 178.15 177.81 2k0f h ALA 6 N 1.72 0.31 -0.79 1.87 0.00 -0.90 0.14 119.26 121.60 2k0f h ALA 6 Ca 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 6 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 6 CO -0.70 -0.23 0.35 1.49 0.00 0.00 0.00 179.25 180.16 2k0f h GLU 7 N 0.32 1.16 -0.33 0.00 4.81 0.45 0.94 114.58 121.93 2k0f h GLU 7 Ca 0.09 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 7 Cb -0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2k0f h GLU 7 CO -0.02 0.92 -0.19 0.74 -0.73 0.00 0.00 179.01 179.73 2k0f h PHE 8 N 1.14 0.83 -0.19 0.92 0.04 -0.82 -2.30 116.94 116.56 2k0f h PHE 8 Ca 0.27 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2k0f h PHE 8 Cb 0.17 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2k0f h PHE 8 CO 0.02 0.94 0.09 0.87 -0.60 0.00 0.00 178.31 179.63 2k0f h LYS 9 N 0.49 0.26 0.00 1.51 1.57 -0.21 0.48 116.57 120.67 2k0f h LYS 9 Ca 0.07 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2k0f h LYS 9 Cb 0.73 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2k0f h LYS 9 CO 0.05 0.20 -0.27 1.49 -0.57 0.00 0.00 179.45 180.36 2k0f h GLU 10 N 0.26 0.00 0.18 3.15 4.81 -0.65 -2.43 114.58 119.90 2k0f h GLU 10 Ca 0.07 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 10 Cb 0.03 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 10 CO -0.01 0.27 -1.35 0.00 -0.73 0.00 0.00 179.01 177.19 2k0f h ALA 11 N 1.73 0.01 -0.53 2.92 0.00 -0.91 -3.32 119.26 119.15 2k0f h ALA 11 Ca -0.00 -0.89 0.10 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 11 Cb 1.21 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 11 CO 0.04 0.88 -0.32 0.35 0.00 0.00 0.00 179.25 180.19 2k0f h PHE 12 N 0.10 -0.89 0.00 0.00 3.57 -0.02 -3.00 116.94 116.70 2k0f h PHE 12 Ca -0.19 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 12 Cb 2.05 0.47 0.00 0.00 2.79 0.00 0.00 35.95 41.26 2k0f h PHE 12 CO 0.09 -0.38 0.04 0.43 -2.23 0.00 0.00 178.31 176.26 2k0f n SER 13 N -5.43 0.30 0.00 0.41 7.64 -0.92 -1.06 113.62 114.57 2k0f n SER 13 Ca 0.03 0.62 0.01 0.00 1.01 0.00 0.00 58.87 60.54 2k0f n SER 13 Cb 0.35 -0.65 0.33 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.47 0.01 -3.43 3.38 -1.65 -3.35 115.31 110.74 2k0f h LEU 14 Ca 0.00 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 2k0f h LEU 14 Cb 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2k0f h LEU 14 CO 0.00 0.50 -1.60 0.49 0.09 0.00 0.00 178.44 177.93 2k0f n PHE 15 N -4.32 0.85 -1.67 1.13 3.01 -0.22 -4.23 117.46 112.02 2k0f n PHE 15 Ca 0.02 0.34 -0.47 0.00 1.01 0.00 0.00 57.45 58.34 2k0f n PHE 15 Cb 0.20 -1.09 -0.04 0.00 -0.01 0.00 0.00 39.48 38.54 2k0f n PHE 15 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k0f n ASP 16 N -4.26 3.03 0.05 4.37 -0.08 -1.22 -4.71 116.55 113.72 2k0f n ASP 16 Ca -0.36 1.07 -0.02 0.00 -1.51 0.00 0.00 54.79 53.97 2k0f n ASP 16 Cb 0.77 -1.40 0.24 0.00 2.34 0.00 0.00 41.12 43.07 2k0f n ASP 16 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k0f h LYS 17 N 6.32 0.39 0.00 -0.67 3.64 -1.88 -3.33 116.57 121.04 2k0f h LYS 17 Ca -0.46 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 58.61 2k0f h LYS 17 Cb 1.26 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2k0f h LYS 17 CO 0.89 0.62 -1.60 -0.25 -2.27 0.00 0.00 179.45 176.84 2k0f n ASP 18 N -4.13 2.11 0.00 4.20 8.00 -1.26 -5.05 116.55 120.42 2k0f n ASP 18 Ca -0.01 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2k0f n ASP 18 Cb 0.39 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 2.70 0.69 0.13 0.44 0.00 -1.25 -5.05 105.19 102.85 2k0f n GLY 19 Ca -0.20 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 2.05 0.00 1.61 5.68 -1.26 -5.01 116.55 119.63 2k0f n ASP 20 Ca 0.00 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k0f n ASP 20 Cb 0.00 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.88 1.33 3.12 6.12 0.00 -1.26 -5.08 105.19 111.30 2k0f n GLY 21 Ca -0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 3.41 -0.38 2.61 -4.23 -1.26 -4.27 115.64 109.52 2k0f s THR 22 Ca 0.00 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 2k0f s THR 22 Cb 0.00 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2k0f s THR 22 CO 0.00 -0.72 0.41 -0.63 -0.54 0.00 0.00 174.62 173.14 2k0f s ILE 23 N 1.02 5.11 0.66 2.99 1.01 -1.22 -4.92 121.20 125.86 2k0f s ILE 23 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2k0f s ILE 23 Cb -0.23 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.34 2k0f s ILE 23 CO -0.04 -0.26 0.98 0.42 0.00 0.00 0.00 174.94 176.04 2k0f s THR 24 N 2.11 2.97 0.28 2.92 -4.23 -1.26 -2.31 115.64 116.12 2k0f s THR 24 Ca 0.13 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2k0f s THR 24 Cb -0.17 -3.24 0.28 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 24 CO 0.13 -0.26 1.82 0.71 -0.54 0.00 0.00 174.62 176.47 2k0f h THR 25 N -0.45 0.86 0.00 3.99 1.35 -1.94 -0.89 112.91 115.83 2k0f h THR 25 Ca -0.45 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 2k0f h THR 25 Cb 1.29 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2k0f h THR 25 CO 0.61 0.17 -0.14 0.11 -0.25 0.00 0.00 175.52 176.01 2k0f h LYS 26 N 0.92 0.00 0.10 4.72 1.57 -1.98 -1.83 116.57 120.06 2k0f h LYS 26 Ca 0.51 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.99 2k0f h LYS 26 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2k0f h LYS 26 CO -0.30 0.14 -1.54 0.93 -0.57 0.00 0.00 179.45 178.12 2k0f h GLU 27 N 0.00 0.21 -0.47 3.15 5.08 -1.54 -1.13 114.58 119.88 2k0f h GLU 27 Ca -0.00 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2k0f h GLU 27 Cb 0.28 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 27 CO 0.02 1.06 0.26 -0.07 -1.00 0.00 0.00 179.01 179.28 2k0f h LEU 28 N 0.06 0.40 -0.94 1.33 3.38 -1.19 -2.68 115.31 115.68 2k0f h LEU 28 Ca -0.24 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2k0f h LEU 28 Cb 2.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2k0f h LEU 28 CO 0.15 0.28 -0.47 1.23 0.09 0.00 0.00 178.44 179.72 2k0f h GLY 29 N 0.52 0.16 0.64 0.83 0.00 -1.34 -0.33 103.07 103.54 2k0f h GLY 29 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2k0f h GLY 29 CO -0.11 0.14 -0.09 -0.84 0.00 0.00 0.00 176.54 175.64 2k0f h THR 30 N 0.12 0.73 0.56 4.70 2.02 -1.14 -1.51 112.91 118.39 2k0f h THR 30 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2k0f h THR 30 Cb 0.88 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2k0f h THR 30 CO 0.07 0.00 -0.27 0.58 0.37 0.00 0.00 175.52 176.27 2k0f h VAL 31 N -0.11 0.30 -0.74 3.16 2.07 -1.10 -2.75 116.25 117.09 2k0f h VAL 31 Ca 0.07 -0.36 0.15 0.00 0.82 0.00 0.00 66.70 67.39 2k0f h VAL 31 Cb 0.21 0.41 -0.14 0.00 -1.52 0.00 0.00 31.29 30.25 2k0f h VAL 31 CO -0.17 0.04 -0.15 0.24 0.02 0.00 0.00 177.57 177.55 2k0f h MET 32 N -1.02 0.01 0.00 1.57 2.07 -1.13 0.23 114.93 116.67 2k0f h MET 32 Ca -0.08 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.53 2k0f h MET 32 Cb 0.64 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.37 2k0f h MET 32 CO 0.13 0.01 -0.11 0.00 1.07 0.00 0.00 176.91 178.01 2k0f h ARG 33 N 0.01 0.00 -0.08 1.72 3.08 -1.37 0.39 114.38 118.13 2k0f h ARG 33 Ca 0.36 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.29 2k0f h ARG 33 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2k0f h ARG 33 CO -0.74 0.11 -0.50 1.03 -1.07 0.00 0.00 179.97 178.79 2k0f h SER 34 N 0.00 0.22 0.09 7.04 0.87 -0.29 -3.30 113.55 118.18 2k0f h SER 34 Ca -0.00 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k0f h SER 34 Cb 0.48 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k0f h SER 34 CO 0.01 0.69 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.89 2k0f h LEU 35 N 0.16 -0.10 0.00 2.23 3.38 -0.70 -3.47 115.31 116.81 2k0f h LEU 35 Ca 0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k0f h LEU 35 Cb 0.95 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k0f h LEU 35 CO 0.08 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2k0f n GLY 36 N 1.09 -0.11 3.91 0.83 0.00 -0.68 -5.10 105.19 105.12 2k0f n GLY 36 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 3.28 -0.76 1.61 -1.52 0.04 -4.95 119.66 117.36 2k0f s GLN 37 Ca 0.00 0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.53 2k0f s GLN 37 Cb 0.00 -2.35 0.22 0.00 -0.22 0.00 0.00 33.01 30.67 2k0f s GLN 37 CO 0.00 -0.40 0.74 -1.71 -0.25 0.00 0.00 175.29 173.68 2k0f n ASN 38 N -2.37 3.88 -4.06 5.90 5.15 -1.26 -3.89 115.26 118.60 2k0f n ASN 38 Ca 0.02 -3.30 -0.29 0.00 -0.60 0.00 0.00 54.58 50.41 2k0f n ASN 38 Cb 0.56 -0.84 0.19 0.00 -0.53 0.00 0.00 39.78 39.16 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k0f s PRO 39 N -1.94 0.52 0.08 1.20 0.04 -1.26 -5.08 135.00 128.57 2k0f s PRO 39 Ca 0.31 -0.67 0.05 0.00 0.04 0.00 0.00 61.00 60.74 2k0f s PRO 39 Cb 0.03 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2k0f s PRO 39 CO -0.08 -2.43 -0.05 0.95 0.04 0.00 0.00 177.00 175.43 2k0f s THR 40 N -3.83 3.71 0.36 1.26 -4.23 -1.26 -5.02 115.64 106.63 2k0f s THR 40 Ca 0.75 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2k0f s THR 40 Cb -0.02 -2.73 0.35 0.00 1.34 0.00 0.00 72.50 71.44 2k0f s THR 40 CO 0.52 0.15 1.78 -0.08 -0.54 0.00 0.00 174.62 176.46 2k0f h GLU 41 N 3.66 0.51 -0.64 3.99 4.81 -1.98 -2.86 114.58 122.08 2k0f h GLU 41 Ca -0.48 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 41 Cb 1.17 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2k0f h GLU 41 CO 0.56 0.34 0.34 0.00 -0.73 0.00 0.00 179.01 179.52 2k0f h ALA 42 N 1.64 0.85 0.00 2.92 0.00 -2.00 -0.01 119.26 122.66 2k0f h ALA 42 Ca 0.58 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.41 2k0f h ALA 42 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 42 CO -0.33 0.01 -0.88 1.05 0.00 0.00 0.00 179.25 179.10 2k0f h GLU 43 N 0.64 0.00 -0.14 0.00 4.11 -1.93 -3.14 114.58 114.11 2k0f h GLU 43 Ca 0.29 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.54 2k0f h GLU 43 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 43 CO -0.18 0.29 -0.59 -0.07 0.07 0.00 0.00 179.01 178.53 2k0f h LEU 44 N 0.00 0.75 -0.31 3.06 3.38 -1.14 -1.74 115.31 119.31 2k0f h LEU 44 Ca -0.06 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 2k0f h LEU 44 Cb 1.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2k0f h LEU 44 CO 0.04 1.25 0.12 -0.61 0.09 0.00 0.00 178.44 179.33 2k0f h GLN 45 N 0.30 0.47 -0.89 1.13 4.15 -1.10 -0.61 115.11 118.58 2k0f h GLN 45 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2k0f h GLN 45 Cb 1.22 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.79 2k0f h GLN 45 CO 0.12 0.49 0.56 0.22 -1.93 0.00 0.00 178.83 178.29 2k0f h ASP 46 N 0.36 1.05 -0.45 -0.69 3.58 -1.60 0.13 116.42 118.78 2k0f h ASP 46 Ca 0.10 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 0.20 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2k0f h ASP 46 CO -0.01 0.78 0.05 -0.03 -2.88 0.00 0.00 179.24 177.16 2k0f h MET 47 N 1.21 0.77 0.64 0.28 4.05 -0.97 -0.97 114.93 119.94 2k0f h MET 47 Ca 0.32 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2k0f h MET 47 Cb -0.09 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 2k0f h MET 47 CO -0.06 0.80 -0.49 0.82 0.23 0.00 0.00 176.91 178.20 2k0f h ILE 48 N 0.63 0.00 -0.89 1.77 2.04 -0.95 -3.20 117.51 116.91 2k0f h ILE 48 Ca 0.14 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.22 2k0f h ILE 48 Cb 0.42 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.37 2k0f h ILE 48 CO 0.01 0.00 0.35 -1.13 0.00 0.00 0.00 178.15 177.38 2k0f h ASN 49 N -1.09 0.24 -0.22 1.72 -1.24 -0.33 -1.67 115.58 112.99 2k0f h ASN 49 Ca -0.08 0.17 0.04 0.00 0.71 0.00 0.00 56.30 57.13 2k0f h ASN 49 Cb 0.91 0.17 -0.04 0.00 0.73 0.00 0.00 38.32 40.09 2k0f h ASN 49 CO 0.02 -0.05 -0.05 -0.08 -1.29 0.00 0.00 177.43 175.98 2k0f h GLU 50 N 0.34 0.01 0.00 6.67 4.81 -1.18 -1.87 114.58 123.36 2k0f h GLU 50 Ca 0.56 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.72 2k0f h GLU 50 Cb 1.08 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 50 CO -0.56 0.01 -0.32 -0.39 -0.73 0.00 0.00 179.01 177.01 2k0f h VAL 51 N 0.01 0.57 -0.43 0.32 -1.51 -1.49 -3.45 116.25 110.27 2k0f h VAL 51 Ca 0.10 -1.74 -0.15 0.00 -1.23 0.00 0.00 66.70 63.69 2k0f h VAL 51 Cb 0.16 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 2k0f h VAL 51 CO -0.22 0.32 0.42 -0.62 -1.23 0.00 0.00 177.57 176.24 2k0f s ASP 52 N -6.35 4.35 0.04 4.19 2.15 -0.70 -4.81 116.67 115.54 2k0f s ASP 52 Ca 0.05 -0.68 -0.12 0.00 0.43 0.00 0.00 52.55 52.22 2k0f s ASP 52 Cb 0.07 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 52 CO 0.71 -3.60 1.19 0.00 -0.17 0.00 0.00 175.17 173.30 2k0f h ALA 53 N 11.52 -0.62 -0.17 3.66 0.00 -1.87 -3.35 119.26 128.43 2k0f h ALA 53 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 53 Cb 0.99 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2k0f h ALA 53 CO 1.11 -0.68 -0.19 0.38 0.00 0.00 0.00 179.25 179.86 2k0f h ASP 54 N -0.22 -0.65 0.00 0.00 3.04 -1.98 -3.47 116.42 113.15 2k0f h ASP 54 Ca 0.01 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 2k0f h ASP 54 Cb 0.24 0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2k0f h ASP 54 CO -0.14 -0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.54 2k0f n GLY 55 N -1.12 1.15 0.09 7.15 0.00 -1.26 -5.05 105.19 106.16 2k0f n GLY 55 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.19 1.61 7.08 -1.91 -3.49 115.58 117.68 2k0f h ASN 56 Ca 0.00 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.98 2k0f h ASN 56 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.19 2k0f h ASN 56 CO 0.00 0.73 -0.26 0.61 -2.08 0.00 0.00 177.43 176.42 2k0f n GLY 57 N 1.41 0.48 3.54 9.14 0.00 -1.26 -5.06 105.19 113.44 2k0f n GLY 57 Ca -0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.52 3.13 -0.49 2.61 -4.23 -1.26 -4.77 115.64 108.10 2k0f s THR 58 Ca 0.00 -1.40 -0.24 0.00 -1.18 0.00 0.00 61.69 58.87 2k0f s THR 58 Cb 0.00 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.41 2k0f s THR 58 CO 0.00 0.09 0.89 -0.51 -0.54 0.00 0.00 174.62 174.54 2k0f s ILE 59 N -1.23 4.50 0.86 2.99 2.07 -0.98 -4.86 121.20 124.56 2k0f s ILE 59 Ca 0.20 0.45 -0.11 0.00 -1.41 0.00 0.00 60.65 59.78 2k0f s ILE 59 Cb -0.11 -4.44 0.15 0.00 0.13 0.00 0.00 42.46 38.19 2k0f s ILE 59 CO 0.12 -0.91 1.20 -1.81 -1.91 0.00 0.00 174.94 171.63 2k0f s ASP 60 N 2.46 3.81 0.10 4.50 1.11 -1.26 -3.37 116.67 124.02 2k0f s ASP 60 Ca 0.32 0.28 -0.26 0.00 0.18 0.00 0.00 52.55 53.06 2k0f s ASP 60 Cb -0.12 -0.54 -0.12 0.00 1.07 0.00 0.00 42.92 43.21 2k0f s ASP 60 CO 0.22 -2.28 1.67 0.15 1.18 0.00 0.00 175.17 176.11 2k0f h PHE 61 N -1.20 -0.46 -0.00 4.23 3.57 -1.96 -2.65 116.94 118.47 2k0f h PHE 61 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.27 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2k0f h PHE 61 CO -0.53 -0.27 -0.02 -0.35 -2.23 0.00 0.00 178.31 174.92 2k0f n PRO 62 N -5.30 0.20 0.02 6.41 -0.04 -1.26 -2.12 135.00 132.91 2k0f n PRO 62 Ca -0.08 -0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 2k0f n PRO 62 Cb 0.22 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.03 -0.16 -0.79 0.54 5.08 -1.82 -0.81 114.58 116.64 2k0f h GLU 63 Ca 0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.41 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 63 CO 0.00 0.27 -0.24 0.35 -1.00 0.00 0.00 179.01 178.39 2k0f h PHE 64 N -0.93 -0.56 0.00 4.33 3.04 -1.37 -1.80 116.94 119.66 2k0f h PHE 64 Ca -0.02 0.08 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 64 Cb 0.50 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 2k0f h PHE 64 CO 0.10 -0.36 -0.26 -0.07 -2.02 0.00 0.00 178.31 175.70 2k0f h LEU 65 N -0.02 0.00 -1.27 0.59 3.38 -1.41 -1.99 115.31 114.58 2k0f h LEU 65 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 2k0f h LEU 65 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 65 CO -0.82 0.26 -0.32 0.74 0.09 0.00 0.00 178.44 178.38 2k0f h THR 66 N 0.00 0.98 -0.06 0.22 2.02 -0.59 -0.54 112.91 114.93 2k0f h THR 66 Ca -0.00 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 2k0f h THR 66 Cb 0.46 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2k0f h THR 66 CO 0.03 0.32 -0.38 -0.03 0.37 0.00 0.00 175.52 175.83 2k0f h MET 67 N 0.00 0.37 -0.01 6.66 1.85 -0.65 -2.58 114.93 120.57 2k0f h MET 67 Ca -0.00 -0.31 -0.04 0.00 -0.61 0.00 0.00 59.70 58.74 2k0f h MET 67 Cb 0.68 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 2k0f h MET 67 CO 0.04 0.96 -0.17 0.52 -0.40 0.00 0.00 176.91 177.86 2k0f h MET 68 N -0.13 0.01 0.00 0.39 2.07 -1.19 -0.90 114.93 115.19 2k0f h MET 68 Ca -0.03 -0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.52 2k0f h MET 68 Cb 1.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 2k0f h MET 68 CO 0.08 0.18 -0.48 0.00 1.07 0.00 0.00 176.91 177.75 2k0f h ALA 69 N 1.82 0.75 -2.01 6.32 0.00 -1.18 -3.46 119.26 121.50 2k0f h ALA 69 Ca 0.00 -0.34 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 2k0f h ALA 69 Cb 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 69 CO 0.02 0.44 0.95 0.50 0.00 0.00 0.00 179.25 181.16 2k0f s ARG 70 N -3.05 4.00 -0.05 0.00 3.52 -0.34 -5.01 118.95 118.02 2k0f s ARG 70 Ca 0.04 1.35 -0.04 0.00 -0.13 0.00 0.00 55.73 56.96 2k0f s ARG 70 Cb 0.07 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2k0f s ARG 70 CO 0.73 -1.00 0.15 0.15 -0.81 0.00 0.00 175.30 174.52 2k0f s LYS 71 N 3.97 3.37 0.00 5.12 1.02 -1.26 -4.98 119.74 126.97 2k0f s LYS 71 Ca 0.55 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.25 2k0f s LYS 71 Cb -0.18 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2k0f s LYS 71 CO 0.20 0.70 0.00 -1.33 -0.92 0.00 0.00 175.35 174.01 2k0f n MET 72 N 1.34 3.87 -0.02 1.68 2.81 -1.26 -5.06 117.12 120.48 2k0f n MET 72 Ca -0.14 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.59 2k0f n MET 72 Cb 0.53 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.91 2k0f n MET 72 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2k0f h LYS 73 N 0.00 0.12 -6.60 0.03 3.64 -2.06 -3.47 116.57 108.23 2k0f h LYS 73 Ca 0.00 -0.19 -0.44 0.00 -1.27 0.00 0.00 60.65 58.75 2k0f h LYS 73 Cb 0.00 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2k0f h LYS 73 CO 0.00 1.05 -0.17 -0.51 -2.27 0.00 0.00 179.45 177.56 2k0f s ASP 74 N -6.46 5.62 0.17 4.20 1.01 -1.26 -5.05 116.67 114.90 2k0f s ASP 74 Ca -0.17 -0.11 -0.31 0.00 0.71 0.00 0.00 52.55 52.68 2k0f s ASP 74 Cb -0.01 -1.00 -0.09 0.00 1.01 0.00 0.00 42.92 42.83 2k0f s ASP 74 CO 0.74 -0.82 1.43 -0.89 0.21 0.00 0.00 175.17 175.84 2k0f s THR 75 N -2.50 3.00 0.09 -1.27 2.01 -1.26 -4.94 115.64 110.77 2k0f s THR 75 Ca 0.53 0.76 -0.20 0.00 0.31 0.00 0.00 61.69 63.09 2k0f s THR 75 Cb -0.10 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 2k0f s THR 75 CO 0.35 0.08 1.62 -0.78 -0.69 0.00 0.00 174.62 175.21 2k0f h ASP 76 N 6.17 0.30 0.84 3.53 3.58 -1.96 -3.01 116.42 125.87 2k0f h ASP 76 Ca -0.43 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2k0f h ASP 76 Cb 1.21 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2k0f h ASP 76 CO 0.84 0.40 0.00 -1.20 -2.88 0.00 0.00 179.24 176.40 2k0f n SER 77 N -4.81 0.00 -0.04 2.28 7.64 -1.26 -1.05 113.62 116.38 2k0f n SER 77 Ca -0.04 0.29 -0.00 0.00 1.01 0.00 0.00 58.87 60.13 2k0f n SER 77 Cb 0.14 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2k0f n SER 77 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k0f h GLU 78 N 0.00 -0.02 -0.02 1.43 4.39 -1.96 -3.36 114.58 115.04 2k0f h GLU 78 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 78 Cb 0.42 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 78 CO 0.00 -0.02 -0.35 0.93 -1.16 0.00 0.00 179.01 178.42 2k0f h GLU 79 N -0.94 0.28 0.33 2.33 4.39 -1.39 -2.32 114.58 117.26 2k0f h GLU 79 Ca -0.00 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 79 Cb 0.02 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2k0f h GLU 79 CO 0.00 0.95 -0.51 1.49 -1.16 0.00 0.00 179.01 179.78 2k0f h GLU 80 N -0.30 -0.86 0.02 2.33 4.81 -1.34 -3.30 114.58 115.94 2k0f h GLU 80 Ca -0.04 0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 80 Cb 1.05 0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.63 2k0f h GLU 80 CO 0.07 -0.57 -0.99 0.82 -0.73 0.00 0.00 179.01 177.60 2k0f h ILE 81 N -0.89 1.39 -0.30 2.32 2.04 -1.70 -1.65 117.51 118.73 2k0f h ILE 81 Ca -0.04 -2.48 0.04 0.00 1.00 0.00 0.00 64.86 63.38 2k0f h ILE 81 Cb 0.82 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.30 2k0f h ILE 81 CO -0.16 0.74 -0.52 -0.09 0.00 0.00 0.00 178.15 178.12 2k0f h ARG 82 N 0.23 -0.42 0.00 2.37 2.43 -1.57 -1.41 114.38 116.01 2k0f h ARG 82 Ca -0.09 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2k0f h ARG 82 Cb 1.64 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.27 2k0f h ARG 82 CO 0.17 -0.28 -0.60 0.93 -1.51 0.00 0.00 179.97 178.69 2k0f h GLU 83 N -0.44 0.00 -0.45 0.20 4.39 -1.58 -2.55 114.58 114.16 2k0f h GLU 83 Ca 0.05 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2k0f h GLU 83 CO -0.51 0.60 -0.10 0.00 -1.16 0.00 0.00 179.01 177.84 2k0f h ALA 84 N 1.40 0.62 -0.46 3.43 0.00 -1.20 -2.59 119.26 120.46 2k0f h ALA 84 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 84 Cb 1.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 84 CO 0.08 0.50 0.23 0.35 0.00 0.00 0.00 179.25 180.41 2k0f h PHE 85 N 0.69 0.62 0.00 0.00 3.57 -1.07 -2.22 116.94 118.54 2k0f h PHE 85 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 85 Cb 0.63 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2k0f h PHE 85 CO 0.05 0.46 0.00 -0.09 -2.23 0.00 0.00 178.31 176.50 2k0f h ARG 86 N 0.64 0.00 0.15 1.11 2.43 -1.05 0.23 114.38 117.90 2k0f h ARG 86 Ca 0.16 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 86 Cb 0.06 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2k0f h ARG 86 CO -0.02 0.00 -1.29 0.28 -1.51 0.00 0.00 179.97 177.43 2k0f h VAL 87 N 0.00 1.32 0.17 0.20 2.07 -1.33 -3.40 116.25 115.27 2k0f h VAL 87 Ca 0.00 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 2k0f h VAL 87 Cb 0.16 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2k0f h VAL 87 CO 0.00 0.78 -0.08 0.15 0.02 0.00 0.00 177.57 178.44 2k0f h PHE 88 N 0.22 -0.21 -2.44 1.57 3.04 -0.94 -3.42 116.94 114.75 2k0f h PHE 88 Ca -0.19 -0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.20 2k0f h PHE 88 Cb 1.97 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 40.52 2k0f h PHE 88 CO 0.11 0.22 1.31 0.34 -2.02 0.00 0.00 178.31 178.27 2k0f s ASP 89 N -5.45 5.67 -0.05 0.41 -1.08 -0.92 -4.89 116.67 110.36 2k0f s ASP 89 Ca -0.13 0.99 -0.24 0.00 -0.52 0.00 0.00 52.55 52.65 2k0f s ASP 89 Cb 0.01 -2.53 -0.19 0.00 -1.46 0.00 0.00 42.92 38.75 2k0f s ASP 89 CO 0.49 -1.94 1.03 0.50 0.52 0.00 0.00 175.17 175.77 2k0f h LYS 90 N 13.68 -0.10 0.13 4.34 1.63 -1.89 -3.38 116.57 130.98 2k0f h LYS 90 Ca -0.31 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.22 2k0f h LYS 90 Cb 1.17 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2k0f h LYS 90 CO 1.09 0.43 -1.23 0.38 -3.45 0.00 0.00 179.45 176.67 2k0f h ASP 91 N -0.72 0.51 -0.71 4.20 2.03 -1.95 -3.49 116.42 116.29 2k0f h ASP 91 Ca -0.01 -0.52 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 2k0f h ASP 91 Cb 0.58 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2k0f h ASP 91 CO 0.02 1.39 0.00 0.61 -1.03 0.00 0.00 179.24 180.23 2k0f n GLY 92 N 1.47 0.76 0.02 7.15 0.00 -1.26 -5.01 105.19 108.31 2k0f n GLY 92 Ca -0.09 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.19 0.10 0.00 1.61 6.94 -1.26 -4.97 115.26 117.87 2k0f n ASN 93 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 2k0f n ASN 93 Cb 0.24 1.86 0.00 0.00 -2.36 0.00 0.00 39.78 39.53 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 1.27 1.11 3.05 4.83 0.00 -1.26 -5.10 105.19 109.09 2k0f n GLY 94 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 1.06 -0.24 1.61 2.02 -1.26 -4.20 117.35 114.34 2k0f s TYR 95 Ca 0.00 -0.24 -0.23 0.00 -0.37 0.00 0.00 57.07 56.23 2k0f s TYR 95 Cb 0.00 -0.71 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 2k0f s TYR 95 CO 0.00 -0.06 0.77 0.42 -1.57 0.00 0.00 175.55 175.11 2k0f s ILE 96 N -0.07 4.88 0.12 2.71 1.01 -0.64 -4.87 121.20 124.34 2k0f s ILE 96 Ca 0.01 1.45 0.02 0.00 0.00 0.00 0.00 60.65 62.12 2k0f s ILE 96 Cb -0.07 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k0f s ILE 96 CO 0.00 -0.04 0.15 -1.54 0.00 0.00 0.00 174.94 173.51 2k0f n SER 97 N 5.85 0.67 0.10 3.58 3.41 -1.26 -2.26 113.62 123.73 2k0f n SER 97 Ca 0.04 -1.34 -0.04 0.00 -0.26 0.00 0.00 58.87 57.26 2k0f n SER 97 Cb 0.48 -0.07 0.09 0.00 -0.26 0.00 0.00 64.21 64.46 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 0.50 0.80 -0.19 7.33 0.00 -1.96 -2.91 119.26 122.82 2k0f h ALA 98 Ca -0.06 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 98 Cb 0.26 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 98 CO 0.09 0.83 -0.53 0.00 0.00 0.00 0.00 179.25 179.65 2k0f h ALA 99 N 1.21 -0.81 -0.59 0.00 0.00 -1.99 -2.12 119.26 114.97 2k0f h ALA 99 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 99 Cb 1.24 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.98 2k0f h ALA 99 CO 0.10 -1.05 0.33 0.93 0.00 0.00 0.00 179.25 179.55 2k0f h GLU 100 N -0.53 0.61 -0.35 0.00 5.08 -1.88 0.71 114.58 118.22 2k0f h GLU 100 Ca 0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 100 Cb 0.66 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 100 CO -0.47 0.41 0.09 1.25 -1.00 0.00 0.00 179.01 179.29 2k0f h LEU 101 N 0.63 0.46 0.22 1.33 5.85 -1.39 0.86 115.31 123.27 2k0f h LEU 101 Ca 0.25 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 101 Cb 0.11 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2k0f h LEU 101 CO -0.14 0.47 -0.11 0.03 -0.34 0.00 0.00 178.44 178.34 2k0f h ARG 102 N 0.50 -0.29 -0.02 1.25 3.08 -1.05 -0.22 114.38 117.63 2k0f h ARG 102 Ca 0.12 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2k0f h ARG 102 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2k0f h ARG 102 CO -0.00 0.09 -0.07 1.25 -1.07 0.00 0.00 179.97 180.17 2k0f h HIS 103 N -0.83 -0.21 -0.24 3.04 2.76 -0.81 -0.34 115.15 118.52 2k0f h HIS 103 Ca -0.03 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2k0f h HIS 103 Cb 0.51 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.49 2k0f h HIS 103 CO 0.06 -0.07 -0.37 0.28 -1.30 0.00 0.00 177.93 176.53 2k0f h VAL 104 N -0.07 0.20 0.00 5.26 2.07 -0.94 0.11 116.25 122.88 2k0f h VAL 104 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 104 Cb 0.08 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2k0f h VAL 104 CO -0.06 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.70 2k0f h MET 105 N -0.38 0.00 -0.29 1.57 2.86 -0.87 0.15 114.93 117.96 2k0f h MET 105 Ca 0.11 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2k0f h MET 105 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2k0f h MET 105 CO -0.45 0.07 -0.07 1.15 1.06 0.00 0.00 176.91 178.67 2k0f h THR 106 N 0.00 1.28 0.00 2.22 2.02 -0.81 -0.86 112.91 116.76 2k0f h THR 106 Ca -0.00 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.00 2k0f h THR 106 Cb 0.14 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2k0f h THR 106 CO 0.01 0.35 -0.42 0.78 0.37 0.00 0.00 175.52 176.61 2k0f h ASN 107 N 0.33 0.00 0.25 4.18 2.35 0.92 -3.29 115.58 120.31 2k0f h ASN 107 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 107 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2k0f h ASN 107 CO 0.03 0.42 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.04 2k0f h LEU 108 N 0.00 -0.28 0.00 1.61 3.38 -0.85 -3.42 115.31 115.74 2k0f h LEU 108 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 108 Cb 1.06 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k0f h LEU 108 CO 0.05 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2k0f n GLY 109 N 0.80 0.00 3.37 0.83 0.00 -0.92 -4.49 105.19 104.78 2k0f n GLY 109 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 2.29 -0.67 1.61 2.56 -0.37 -4.53 118.70 119.58 2k0f s GLU 110 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 54.97 53.92 2k0f s GLU 110 Cb 0.00 -2.18 0.08 0.00 2.00 0.00 0.00 34.13 34.03 2k0f s GLU 110 CO 0.00 0.57 0.93 0.15 -0.56 0.00 0.00 175.26 176.35 2k0f s LYS 111 N -0.63 3.14 -0.02 4.30 1.02 -1.26 -3.98 119.74 122.31 2k0f s LYS 111 Ca 0.10 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.09 2k0f s LYS 111 Cb -0.10 -4.29 -0.04 0.00 -0.52 0.00 0.00 37.83 32.88 2k0f s LYS 111 CO -0.00 -1.76 0.01 -1.17 -0.92 0.00 0.00 175.35 171.50 2k0f s LEU 112 N 3.70 3.56 0.36 3.17 2.96 -1.26 -5.13 118.68 126.03 2k0f s LEU 112 Ca 0.21 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 2k0f s LEU 112 Cb -0.17 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2k0f s LEU 112 CO 0.08 0.30 0.13 0.42 -1.32 0.00 0.00 176.35 175.95 2k0f s THR 113 N -1.06 2.72 0.15 3.68 -4.23 -1.26 -5.04 115.64 110.61 2k0f s THR 113 Ca 0.19 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2k0f s THR 113 Cb -0.12 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 113 CO 0.09 -0.13 1.79 0.44 -0.54 0.00 0.00 174.62 176.27 2k0f h ASP 114 N 1.56 0.36 -0.34 3.99 3.32 -2.01 -2.33 116.42 120.97 2k0f h ASP 114 Ca -0.43 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2k0f h ASP 114 Cb 1.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 114 CO 0.66 0.26 0.03 -0.08 -1.72 0.00 0.00 179.24 178.39 2k0f h GLU 115 N 0.45 0.68 0.02 3.56 4.57 -2.02 -2.96 114.58 118.88 2k0f h GLU 115 Ca 0.15 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2k0f h GLU 115 Cb 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2k0f h GLU 115 CO -0.07 0.68 -0.01 0.93 -1.18 0.00 0.00 179.01 179.36 2k0f h GLU 116 N 0.65 -0.02 -0.87 1.92 5.08 -1.84 -3.09 114.58 116.40 2k0f h GLU 116 Ca 0.14 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 116 Cb 0.36 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 116 CO 0.01 0.04 0.35 0.28 -1.00 0.00 0.00 179.01 178.69 2k0f h VAL 117 N -0.08 0.46 -0.13 3.13 2.07 -1.29 -0.61 116.25 119.79 2k0f h VAL 117 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k0f h VAL 117 Cb 0.07 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2k0f h VAL 117 CO 0.00 0.07 0.03 -0.78 0.02 0.00 0.00 177.57 176.91 2k0f h ASP 118 N 0.36 0.20 -0.75 0.57 3.58 -1.60 -2.71 116.42 116.08 2k0f h ASP 118 Ca 0.54 -0.24 0.05 0.00 0.42 0.00 0.00 57.03 57.80 2k0f h ASP 118 Cb 1.02 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.97 2k0f h ASP 118 CO -0.54 0.39 0.45 -0.08 -2.88 0.00 0.00 179.24 176.58 2k0f h GLU 119 N 0.00 0.81 -0.71 0.28 4.81 -1.08 -2.74 114.58 115.97 2k0f h GLU 119 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 119 Cb 0.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 119 CO 0.00 0.54 0.46 0.52 -0.73 0.00 0.00 179.01 179.80 2k0f h MET 120 N 0.84 0.93 -0.22 1.92 2.86 -1.21 -3.06 114.93 116.99 2k0f h MET 120 Ca 0.32 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 120 Cb 0.13 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2k0f h MET 120 CO -0.16 0.62 -0.12 0.82 1.06 0.00 0.00 176.91 179.14 2k0f h ILE 121 N 0.96 1.31 -0.85 -1.22 1.08 -1.22 -2.64 117.51 114.93 2k0f h ILE 121 Ca 0.26 -1.20 0.25 0.00 -0.39 0.00 0.00 64.86 63.78 2k0f h ILE 121 Cb -0.10 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 2k0f h ILE 121 CO -0.06 0.37 0.62 0.03 -0.69 0.00 0.00 178.15 178.42 2k0f h ARG 122 N 0.17 0.00 0.04 2.37 3.08 -1.40 -0.95 114.38 117.68 2k0f h ARG 122 Ca 0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.87 2k0f h ARG 122 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2k0f h ARG 122 CO 0.03 0.00 -1.10 1.05 -1.07 0.00 0.00 179.97 178.88 2k0f h GLU 123 N 0.00 0.08 0.18 0.04 4.11 -1.38 -3.35 114.58 114.26 2k0f h GLU 123 Ca 0.40 -0.13 -0.23 0.00 0.07 0.00 0.00 59.36 59.47 2k0f h GLU 123 Cb 1.63 0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.96 2k0f h GLU 123 CO -0.00 1.04 -1.03 0.00 0.07 0.00 0.00 179.01 179.08 2k0f h ALA 124 N 0.88 -0.11 -2.21 1.06 0.00 -1.43 -3.47 119.26 113.98 2k0f h ALA 124 Ca -0.06 -0.75 -0.56 0.00 0.00 0.00 0.00 54.91 53.53 2k0f h ALA 124 Cb 1.84 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 2k0f h ALA 124 CO 0.15 0.48 0.64 0.34 0.00 0.00 0.00 179.25 180.86 2k0f s ASP 125 N -7.17 7.19 -0.12 0.00 2.15 -0.38 -4.90 116.67 113.45 2k0f s ASP 125 Ca -0.12 1.50 -0.14 0.00 0.43 0.00 0.00 52.55 54.22 2k0f s ASP 125 Cb 0.02 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 125 CO 0.87 -0.52 -0.27 -0.38 -0.17 0.00 0.00 175.17 174.70 2k0f n ILE 126 N 4.78 1.42 0.23 4.11 5.41 -1.26 -4.64 119.36 129.41 2k0f n ILE 126 Ca 0.10 0.20 0.06 0.00 1.00 0.00 0.00 62.75 64.11 2k0f n ILE 126 Cb 0.48 -2.17 0.53 0.00 -0.71 0.00 0.00 39.64 37.77 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 -0.77 0.00 0.00 4.38 2.03 -1.93 -3.47 116.42 116.67 2k0f h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 127 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2k0f h ASP 127 CO 0.00 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 2k0f n GLY 128 N -1.08 1.84 0.03 7.15 0.00 -1.26 -5.02 105.19 106.84 2k0f n GLY 128 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.42 0.00 1.61 5.75 -1.26 -4.96 116.55 118.11 2k0f n ASP 129 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 2k0f n ASP 129 Cb 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 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 1.32 0.85 3.12 6.12 0.00 -1.26 -5.05 105.19 110.28 2k0f n GLY 130 Ca -0.01 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 1.32 -0.35 1.61 -0.21 -1.26 -4.72 119.66 114.05 2k0f s GLN 131 Ca 0.00 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 54.64 2k0f s GLN 131 Cb 0.00 -1.24 0.00 0.00 1.00 0.00 0.00 33.01 32.77 2k0f s GLN 131 CO 0.00 0.29 0.62 0.08 -2.12 0.00 0.00 175.29 174.16 2k0f s VAL 132 N -0.22 4.91 0.90 1.09 1.01 -0.96 -4.67 120.40 122.46 2k0f s VAL 132 Ca 0.03 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 2k0f s VAL 132 Cb -0.07 -4.05 0.20 0.00 0.00 0.00 0.00 36.38 32.46 2k0f s VAL 132 CO 0.00 -0.28 1.23 -0.46 0.00 0.00 0.00 175.10 175.60 2k0f n ASN 133 N 5.99 0.40 0.10 3.32 0.23 -1.26 -1.62 115.26 122.43 2k0f n ASN 133 Ca -0.01 -1.63 -0.03 0.00 -0.53 0.00 0.00 54.58 52.37 2k0f n ASN 133 Cb 0.49 -0.91 0.16 0.00 -2.08 0.00 0.00 39.78 37.44 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -1.48 0.22 -0.48 -2.53 3.20 -1.99 -0.86 116.97 113.06 2k0f h TYR 134 Ca -0.40 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.26 2k0f h TYR 134 Cb 1.18 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2k0f h TYR 134 CO 0.00 0.69 -0.23 0.93 -1.64 0.00 0.00 178.16 177.92 2k0f h GLU 135 N 0.14 1.00 0.00 1.82 5.08 -1.96 -1.54 114.58 119.12 2k0f h GLU 135 Ca -0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2k0f h GLU 135 Cb 1.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 135 CO 0.08 1.11 -0.28 0.93 -1.00 0.00 0.00 179.01 179.85 2k0f h GLU 136 N 0.86 0.00 -0.31 2.33 5.08 -1.86 -2.46 114.58 118.22 2k0f h GLU 136 Ca 0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 136 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 136 CO 0.07 0.28 -0.47 0.35 -1.00 0.00 0.00 179.01 178.24 2k0f h PHE 137 N 0.00 1.03 -0.48 4.33 3.57 -0.89 -2.46 116.94 122.05 2k0f h PHE 137 Ca -0.00 -0.34 -0.13 0.00 3.53 0.00 0.00 57.97 61.03 2k0f h PHE 137 Cb 1.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2k0f h PHE 137 CO 0.00 1.15 -0.22 0.28 -2.23 0.00 0.00 178.31 177.29 2k0f h VAL 138 N 0.67 1.27 0.00 1.41 2.07 -1.06 -2.86 116.25 117.74 2k0f h VAL 138 Ca 0.03 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 138 Cb 1.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2k0f h VAL 138 CO 0.11 0.48 -0.42 1.56 0.02 0.00 0.00 177.57 179.31 2k0f h GLN 139 N 0.84 0.00 -0.20 1.57 4.20 -1.42 -2.18 115.11 117.93 2k0f h GLN 139 Ca 0.11 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2k0f h GLN 139 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2k0f h GLN 139 CO 0.07 0.42 -0.13 1.98 -0.67 0.00 0.00 178.83 180.50 2k0f h MET 140 N 0.00 0.32 0.37 1.46 4.05 -1.21 -3.04 114.93 116.87 2k0f h MET 140 Ca -0.00 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2k0f h MET 140 Cb 0.81 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2k0f h MET 140 CO 0.05 0.45 -0.18 0.52 0.23 0.00 0.00 176.91 177.99 2k0f h MET 141 N 0.30 -0.48 0.00 0.39 2.86 -1.30 -3.52 114.93 113.18 2k0f h MET 141 Ca 0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 141 Cb 0.42 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 141 CO 0.02 -0.32 0.00 0.25 1.06 0.00 0.00 176.91 177.93