#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 0.80 -0.55 -0.78 9.09 -2.05 -3.21 114.58 117.89 2k0f h GLU 2 Ca 0.00 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.26 2k0f h GLU 2 Cb 0.00 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 26.90 2k0f h GLU 2 CO 0.00 0.53 -0.07 1.49 0.05 0.00 0.00 179.01 181.01 2k0f h GLU 3 N 0.83 0.99 -0.02 1.06 4.81 -2.04 -0.89 114.58 119.32 2k0f h GLU 3 Ca 0.45 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 3 Cb 0.49 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 3 CO -0.28 1.02 -0.64 1.96 -0.73 0.00 0.00 179.01 180.33 2k0f h GLN 4 N 0.89 0.47 -0.40 1.92 4.20 -1.98 0.21 115.11 120.42 2k0f h GLN 4 Ca 0.15 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2k0f h GLN 4 Cb 0.62 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 2k0f h GLN 4 CO 0.04 1.12 0.16 0.82 -0.67 0.00 0.00 178.83 180.30 2k0f h ILE 5 N -0.01 1.20 -0.59 2.54 1.08 -1.56 0.24 117.51 120.41 2k0f h ILE 5 Ca -0.07 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.83 2k0f h ILE 5 Cb 1.33 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 2k0f h ILE 5 CO 0.13 0.22 0.39 0.00 -0.69 0.00 0.00 178.15 178.19 2k0f h ALA 6 N 1.01 1.75 -0.04 1.87 0.00 -1.10 0.26 119.26 123.00 2k0f h ALA 6 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 6 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 6 CO -0.01 0.17 -0.06 1.49 0.00 0.00 0.00 179.25 180.84 2k0f h GLU 7 N 0.63 0.10 -0.51 0.00 4.81 -0.08 -2.59 114.58 116.95 2k0f h GLU 7 Ca 0.24 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 7 Cb 0.17 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 7 CO -0.07 0.63 0.17 0.74 -0.73 0.00 0.00 179.01 179.75 2k0f h PHE 8 N -0.41 0.29 0.00 0.92 0.04 -0.28 -1.29 116.94 116.21 2k0f h PHE 8 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 0.62 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 2k0f h PHE 8 CO 0.11 0.08 -0.12 -0.22 -0.60 0.00 0.00 178.31 177.56 2k0f h LYS 9 N 0.33 0.00 0.05 1.51 3.64 -0.45 -0.93 116.57 120.73 2k0f h LYS 9 Ca 0.25 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.39 2k0f h LYS 9 Cb 0.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2k0f h LYS 9 CO -0.26 0.12 -1.26 1.49 -2.27 0.00 0.00 179.45 177.27 2k0f h GLU 10 N 0.00 0.10 -0.90 1.90 4.57 -1.17 -2.45 114.58 116.63 2k0f h GLU 10 Ca -0.00 -0.16 0.15 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 10 Cb 0.31 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2k0f h GLU 10 CO 0.02 1.08 0.58 0.00 -1.18 0.00 0.00 179.01 179.50 2k0f h ALA 11 N -0.25 1.84 -0.05 2.92 0.00 -1.12 -2.91 119.26 119.68 2k0f h ALA 11 Ca -0.31 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 11 Cb 1.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 11 CO -0.08 -0.09 -0.09 0.35 0.00 0.00 0.00 179.25 179.35 2k0f h PHE 12 N 0.69 0.18 0.00 0.00 3.57 -1.26 -3.32 116.94 116.80 2k0f h PHE 12 Ca 0.45 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2k0f h PHE 12 Cb 0.74 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k0f h PHE 12 CO -0.00 0.66 0.00 0.43 -2.23 0.00 0.00 178.31 177.17 2k0f n SER 13 N -4.69 0.00 -0.22 0.41 7.64 -0.92 -2.39 113.62 113.45 2k0f n SER 13 Ca -0.08 -0.87 -0.05 0.00 1.01 0.00 0.00 58.87 58.88 2k0f n SER 13 Cb 0.33 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.71 -0.04 -3.43 5.85 -1.61 -3.11 115.31 113.68 2k0f h LEU 14 Ca 0.00 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 14 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2k0f h LEU 14 CO 0.00 0.51 -0.87 -0.26 -0.34 0.00 0.00 178.44 177.47 2k0f h PHE 15 N 0.84 0.00 -2.60 1.25 0.04 -1.69 -3.46 116.94 111.31 2k0f h PHE 15 Ca 0.24 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 15 Cb -0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 2k0f h PHE 15 CO -0.03 0.87 1.24 0.34 -0.60 0.00 0.00 178.31 180.13 2k0f s ASP 16 N -6.66 6.06 0.11 2.17 -1.08 -1.18 -4.81 116.67 111.29 2k0f s ASP 16 Ca 0.02 1.60 0.26 0.00 -0.52 0.00 0.00 52.55 53.90 2k0f s ASP 16 Cb 0.10 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.75 2k0f s ASP 16 CO 0.80 -1.52 1.62 0.29 0.52 0.00 0.00 175.17 176.88 2k0f n LYS 17 N 8.11 0.18 -0.11 4.34 4.76 -1.26 -4.09 118.16 130.09 2k0f n LYS 17 Ca 0.22 0.10 -0.21 0.00 -2.87 0.00 0.00 58.31 55.55 2k0f n LYS 17 Cb 0.45 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.95 1.89 0.00 4.39 8.00 -1.26 -5.06 116.55 122.56 2k0f n ASP 18 Ca 0.05 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2k0f n ASP 18 Cb 0.40 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 1.41 1.80 0.11 0.44 0.00 -1.26 -5.03 105.19 102.66 2k0f n GLY 19 Ca -0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 1.93 0.00 1.61 5.75 -1.26 -5.03 116.55 119.55 2k0f n ASP 20 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 2k0f n ASP 20 Cb 0.00 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 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 1.38 0.25 3.58 6.12 0.00 -1.26 -5.09 105.19 110.18 2k0f n GLY 21 Ca -0.33 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -0.68 -0.56 2.61 2.01 -1.26 -3.40 115.64 114.36 2k0f s THR 22 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 2k0f s THR 22 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.62 2k0f s THR 22 CO 0.00 0.00 0.60 -0.63 -0.69 0.00 0.00 174.62 173.90 2k0f s ILE 23 N 2.52 5.02 0.75 1.82 1.01 -0.56 -4.90 121.20 126.86 2k0f s ILE 23 Ca -0.06 -1.23 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 2k0f s ILE 23 Cb -0.09 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 38.02 2k0f s ILE 23 CO -0.18 -0.98 1.09 0.42 0.00 0.00 0.00 174.94 175.28 2k0f s THR 24 N 2.14 3.35 0.43 2.92 -4.23 -1.26 -3.66 115.64 115.33 2k0f s THR 24 Ca 0.07 0.44 0.31 0.00 -1.18 0.00 0.00 61.69 61.33 2k0f s THR 24 Cb -0.27 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.64 2k0f s THR 24 CO 0.05 -0.57 2.12 0.71 -0.54 0.00 0.00 174.62 176.39 2k0f h THR 25 N -0.90 0.40 -0.05 3.99 1.35 -1.96 -0.70 112.91 115.05 2k0f h THR 25 Ca -0.46 -0.40 -0.11 0.00 -0.55 0.00 0.00 66.41 64.89 2k0f h THR 25 Cb 1.25 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 2k0f h THR 25 CO 0.60 0.07 -0.40 0.11 -0.25 0.00 0.00 175.52 175.66 2k0f h LYS 26 N 0.00 0.35 -0.00 4.72 1.79 -1.98 -0.89 116.57 120.56 2k0f h LYS 26 Ca -0.00 -0.32 -0.08 0.00 -2.18 0.00 0.00 60.65 58.07 2k0f h LYS 26 Cb 0.28 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2k0f h LYS 26 CO 0.01 0.98 -0.37 0.93 -1.08 0.00 0.00 179.45 179.91 2k0f h GLU 27 N -0.16 0.01 0.00 3.15 5.08 -1.53 -3.06 114.58 118.07 2k0f h GLU 27 Ca -0.04 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 27 Cb 1.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2k0f h GLU 27 CO 0.08 0.38 -0.35 1.25 -1.00 0.00 0.00 179.01 179.38 2k0f h LEU 28 N 0.01 0.00 -2.07 1.33 5.85 -1.29 -3.34 115.31 115.80 2k0f h LEU 28 Ca -0.00 -0.84 0.05 0.00 0.84 0.00 0.00 57.88 57.93 2k0f h LEU 28 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 28 CO 0.05 1.12 0.34 1.23 -0.34 0.00 0.00 178.44 180.84 2k0f h GLY 29 N -1.00 0.00 0.48 3.75 0.00 -1.13 0.48 103.07 105.65 2k0f h GLY 29 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2k0f h GLY 29 CO -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.47 2k0f h THR 30 N 0.00 1.36 -0.30 4.70 1.03 -1.68 -2.83 112.91 115.19 2k0f h THR 30 Ca 0.08 -1.20 -0.06 0.00 -0.01 0.00 0.00 66.41 65.21 2k0f h THR 30 Cb 0.76 2.17 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 2k0f h THR 30 CO -0.00 0.31 -0.06 0.58 -0.01 0.00 0.00 175.52 176.34 2k0f h VAL 31 N -0.55 1.28 0.30 0.00 2.07 -1.07 -0.46 116.25 117.81 2k0f h VAL 31 Ca -0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2k0f h VAL 31 Cb 0.52 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2k0f h VAL 31 CO 0.00 0.35 -0.21 0.24 0.02 0.00 0.00 177.57 177.97 2k0f h MET 32 N 0.35 -0.49 -0.65 1.57 2.86 -1.38 -2.06 114.93 115.12 2k0f h MET 32 Ca 0.08 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2k0f h MET 32 Cb 0.54 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 32 CO 0.03 -0.33 0.30 -0.09 1.06 0.00 0.00 176.91 177.88 2k0f h ARG 33 N -0.51 0.95 -0.94 1.72 2.43 -1.41 0.15 114.38 116.77 2k0f h ARG 33 Ca -0.02 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2k0f h ARG 33 Cb 0.44 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2k0f h ARG 33 CO 0.00 0.77 0.61 0.77 -1.51 0.00 0.00 179.97 180.61 2k0f h SER 34 N 0.91 1.10 0.38 -3.80 0.02 -0.83 -3.05 113.55 108.28 2k0f h SER 34 Ca 0.22 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2k0f h SER 34 Cb 0.14 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2k0f h SER 34 CO -0.03 0.81 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.23 2k0f h LEU 35 N 1.29 -0.43 0.00 5.07 3.38 -1.20 -3.48 115.31 119.94 2k0f h LEU 35 Ca 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2k0f h LEU 35 Cb -0.12 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k0f h LEU 35 CO -0.07 -0.09 0.00 0.61 0.09 0.00 0.00 178.44 178.98 2k0f n GLY 36 N -0.48 0.00 3.17 0.83 0.00 0.00 -5.10 105.19 103.61 2k0f n GLY 36 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.82 -0.54 1.61 0.74 0.30 -4.92 119.66 117.67 2k0f s GLN 37 Ca 0.00 -1.03 0.04 0.00 0.05 0.00 0.00 55.36 54.42 2k0f s GLN 37 Cb 0.00 -0.70 0.14 0.00 1.10 0.00 0.00 33.01 33.55 2k0f s GLN 37 CO 0.00 0.14 0.31 -0.80 -0.55 0.00 0.00 175.29 174.39 2k0f s ASN 38 N -2.01 4.22 0.70 6.67 0.01 -1.26 -3.02 114.94 120.24 2k0f s ASN 38 Ca 0.01 -3.14 -0.05 0.00 -0.71 0.00 0.00 52.86 48.97 2k0f s ASN 38 Cb -0.07 -1.49 0.08 0.00 0.41 0.00 0.00 41.25 40.18 2k0f s ASN 38 CO 0.02 -0.20 1.00 -2.16 -1.51 0.00 0.00 177.10 174.24 2k0f s PRO 39 N -0.43 2.03 0.47 -0.60 0.04 -1.26 -5.10 135.00 130.15 2k0f s PRO 39 Ca 0.19 -0.50 0.03 0.00 0.04 0.00 0.00 61.00 60.76 2k0f s PRO 39 Cb -0.20 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2k0f s PRO 39 CO -0.04 -1.29 0.67 0.95 0.04 0.00 0.00 177.00 177.33 2k0f s THR 40 N -3.20 3.38 0.11 1.26 -4.23 -1.26 -4.92 115.64 106.78 2k0f s THR 40 Ca 0.62 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 2k0f s THR 40 Cb -0.09 -3.23 -0.14 0.00 1.34 0.00 0.00 72.50 70.38 2k0f s THR 40 CO 0.44 -0.14 1.33 -0.08 -0.54 0.00 0.00 174.62 175.63 2k0f h GLU 41 N 0.37 0.78 -0.80 3.99 4.81 -1.98 -0.57 114.58 121.19 2k0f h GLU 41 Ca -0.44 -0.62 0.19 0.00 -0.13 0.00 0.00 59.36 58.37 2k0f h GLU 41 Cb 1.27 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.64 2k0f h GLU 41 CO 0.53 1.23 0.10 0.00 -0.73 0.00 0.00 179.01 180.14 2k0f h ALA 42 N 0.60 0.96 -0.19 2.92 0.00 -1.98 -0.49 119.26 121.08 2k0f h ALA 42 Ca -0.04 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 42 Cb 1.37 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2k0f h ALA 42 CO 0.15 -0.43 -0.07 0.93 0.00 0.00 0.00 179.25 179.83 2k0f h GLU 43 N 0.15 0.39 -0.55 0.00 5.08 -1.91 -2.55 114.58 115.18 2k0f h GLU 43 Ca 0.46 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 43 Cb 0.85 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2k0f h GLU 43 CO -0.65 0.67 0.07 1.25 -1.00 0.00 0.00 179.01 179.35 2k0f h LEU 44 N 0.09 0.89 -0.97 1.33 5.85 -0.90 -2.65 115.31 118.96 2k0f h LEU 44 Ca 0.05 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 2k0f h LEU 44 Cb 0.54 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 44 CO 0.02 0.94 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.21 2k0f h GLN 45 N 0.82 0.45 -0.43 1.25 4.15 -1.19 -1.30 115.11 118.86 2k0f h GLN 45 Ca 0.17 -0.17 0.07 0.00 0.77 0.00 0.00 58.65 59.50 2k0f h GLN 45 Cb 0.44 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2k0f h GLN 45 CO 0.01 0.67 0.29 0.22 -1.93 0.00 0.00 178.83 178.09 2k0f h ASP 46 N 0.40 0.23 1.21 -0.69 3.58 -1.10 0.14 116.42 120.19 2k0f h ASP 46 Ca 0.06 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 2k0f h ASP 46 Cb 0.65 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2k0f h ASP 46 CO 0.05 0.14 -0.83 0.24 -2.88 0.00 0.00 179.24 175.96 2k0f h MET 47 N 0.26 0.00 0.03 0.28 2.86 -1.18 -3.18 114.93 114.01 2k0f h MET 47 Ca 0.19 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 47 Cb 0.44 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.12 2k0f h MET 47 CO -0.04 0.30 -1.04 0.82 1.06 0.00 0.00 176.91 178.02 2k0f h ILE 48 N 0.00 1.30 -0.57 -1.22 2.04 -0.53 -3.37 117.51 115.17 2k0f h ILE 48 Ca -0.06 -2.28 0.16 0.00 1.00 0.00 0.00 64.86 63.69 2k0f h ILE 48 Cb 1.36 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.91 2k0f h ILE 48 CO 0.04 0.70 0.65 0.78 0.00 0.00 0.00 178.15 180.32 2k0f h ASN 49 N 0.29 0.00 1.23 1.72 2.35 -0.72 0.66 115.58 121.12 2k0f h ASN 49 Ca -0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 2k0f h ASN 49 Cb 1.71 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.07 2k0f h ASN 49 CO 0.20 0.00 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.46 2k0f h GLU 50 N 0.00 0.00 0.00 0.81 4.39 -1.72 -3.32 114.58 114.74 2k0f h GLU 50 Ca 0.27 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 50 Cb 1.57 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.15 2k0f h GLU 50 CO -0.00 0.19 -2.46 0.28 -1.16 0.00 0.00 179.01 175.86 2k0f n VAL 51 N -3.26 1.52 -1.68 3.13 0.31 -0.35 -4.88 118.33 113.12 2k0f n VAL 51 Ca 0.01 -0.48 -0.49 0.00 -0.01 0.00 0.00 64.34 63.38 2k0f n VAL 51 Cb 0.48 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.71 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 -3.73 3.33 -0.04 4.52 2.03 0.08 -4.89 116.55 117.85 2k0f n ASP 52 Ca -0.49 0.99 -0.01 0.00 0.52 0.00 0.00 54.79 55.80 2k0f n ASP 52 Cb 0.94 -1.36 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 6.12 1.98 -0.29 -1.67 0.00 -1.26 -4.40 120.51 120.99 2k0f n ALA 53 Ca 0.22 -0.88 0.01 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 53 Cb 0.28 -0.57 0.14 0.00 0.00 0.00 0.00 19.45 19.30 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k0f h ASP 54 N 0.00 0.75 -2.48 0.00 5.19 -1.92 -3.47 116.42 114.48 2k0f h ASP 54 Ca -0.29 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2k0f h ASP 54 Cb 1.72 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.10 2k0f h ASP 54 CO 0.03 0.47 -0.02 0.61 -3.12 0.00 0.00 179.24 177.21 2k0f n GLY 55 N -1.32 0.61 0.25 2.75 0.00 -1.26 -5.00 105.19 101.22 2k0f n GLY 55 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k0f n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0f n ASN 56 N -1.25 0.33 0.00 1.61 2.85 -1.26 -5.08 115.26 112.46 2k0f n ASN 56 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0f n ASN 56 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k0f n GLY 57 N 1.68 1.03 3.15 8.20 0.00 -1.26 -5.09 105.19 112.89 2k0f n GLY 57 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.50 -0.33 2.61 -4.23 -1.26 -4.76 115.64 107.18 2k0f s THR 58 Ca 0.00 -0.75 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 2k0f s THR 58 Cb 0.00 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.57 2k0f s THR 58 CO 0.00 0.43 1.04 -0.51 -0.54 0.00 0.00 174.62 175.04 2k0f s ILE 59 N 0.06 4.54 0.73 2.99 2.07 -1.24 -4.67 121.20 125.67 2k0f s ILE 59 Ca -0.05 1.63 -0.04 0.00 -1.41 0.00 0.00 60.65 60.78 2k0f s ILE 59 Cb -0.12 -4.39 0.11 0.00 0.13 0.00 0.00 42.46 38.19 2k0f s ILE 59 CO 0.03 -0.47 1.01 -1.81 -1.91 0.00 0.00 174.94 171.78 2k0f s ASP 60 N 1.69 4.39 0.13 4.50 1.01 -1.26 -1.50 116.67 125.63 2k0f s ASP 60 Ca 0.44 -0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.45 2k0f s ASP 60 Cb -0.12 -0.38 -0.03 0.00 1.01 0.00 0.00 42.92 43.39 2k0f s ASP 60 CO 0.16 -1.83 1.72 0.15 0.21 0.00 0.00 175.17 175.57 2k0f h PHE 61 N -0.61 0.45 0.00 4.23 3.57 -1.97 -1.76 116.94 120.85 2k0f h PHE 61 Ca -0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.28 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k0f h PHE 61 CO -0.15 0.37 -0.06 -1.35 -2.23 0.00 0.00 178.31 174.89 2k0f h PRO 62 N 0.39 0.00 0.15 6.41 0.11 -1.96 -2.06 132.00 135.04 2k0f h PRO 62 Ca 0.11 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.88 2k0f h PRO 62 Cb 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 2k0f h PRO 62 CO -0.02 0.06 -1.75 0.93 -0.21 0.00 0.00 178.00 177.01 2k0f h GLU 63 N 0.00 0.32 -0.47 1.05 5.08 -1.84 -3.26 114.58 115.47 2k0f h GLU 63 Ca -0.00 -0.56 0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 63 Cb 0.18 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 63 CO 0.01 1.27 -0.11 0.35 -1.00 0.00 0.00 179.01 179.53 2k0f h PHE 64 N -0.00 -0.23 -0.77 4.33 3.57 -1.12 0.15 116.94 122.87 2k0f h PHE 64 Ca -0.36 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 64 Cb 2.00 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 40.79 2k0f h PHE 64 CO 0.10 -0.19 0.12 -0.07 -2.23 0.00 0.00 178.31 176.03 2k0f h LEU 65 N 0.01 -0.14 -0.34 0.59 3.38 -1.51 -1.20 115.31 116.10 2k0f h LEU 65 Ca 0.23 0.18 -0.12 0.00 0.09 0.00 0.00 57.88 58.25 2k0f h LEU 65 Cb 0.34 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k0f h LEU 65 CO -0.48 -0.12 -0.27 0.74 0.09 0.00 0.00 178.44 178.41 2k0f h THR 66 N 0.19 1.29 -0.96 0.22 2.02 -1.14 -3.05 112.91 111.48 2k0f h THR 66 Ca 0.44 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 66.24 2k0f h THR 66 Cb 0.79 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 2k0f h THR 66 CO -0.60 0.47 0.62 -0.03 0.37 0.00 0.00 175.52 176.35 2k0f h MET 67 N 0.56 1.16 0.00 6.66 -1.53 0.31 -0.94 114.93 121.15 2k0f h MET 67 Ca 0.06 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 2k0f h MET 67 Cb 0.84 -0.26 -0.00 0.00 -0.55 0.00 0.00 31.60 31.62 2k0f h MET 67 CO 0.07 0.77 -0.13 0.52 0.14 0.00 0.00 176.91 178.27 2k0f h MET 68 N 1.20 0.00 0.00 0.39 2.07 -1.23 -3.31 114.93 114.04 2k0f h MET 68 Ca 0.38 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.92 2k0f h MET 68 Cb 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.73 2k0f h MET 68 CO -0.13 0.13 -1.97 0.00 1.07 0.00 0.00 176.91 176.02 2k0f n ALA 69 N -2.34 2.43 -2.64 6.32 0.00 -0.77 -4.87 120.51 118.65 2k0f n ALA 69 Ca -0.02 -0.68 -0.40 0.00 0.00 0.00 0.00 53.44 52.34 2k0f n ALA 69 Cb 0.24 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -3.24 4.15 -0.03 0.00 3.52 -0.43 -5.07 118.95 117.85 2k0f s ARG 70 Ca -0.07 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 56.04 2k0f s ARG 70 Cb 0.11 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2k0f s ARG 70 CO 0.88 -0.28 -0.10 -1.59 -0.81 0.00 0.00 175.30 173.40 2k0f s LYS 71 N 2.07 2.58 0.00 5.12 -2.85 -1.26 -4.83 119.74 120.56 2k0f s LYS 71 Ca 0.25 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2k0f s LYS 71 Cb -0.16 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 2k0f s LYS 71 CO 0.09 0.63 0.00 -1.33 0.10 0.00 0.00 175.35 174.84 2k0f n MET 72 N 2.00 3.44 -3.27 1.78 2.81 -1.26 -5.08 117.12 117.54 2k0f n MET 72 Ca -0.17 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.41 2k0f n MET 72 Cb 0.53 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 2.09 3.77 0.53 0.03 -2.85 -1.26 -4.83 119.74 117.22 2k0f s LYS 73 Ca 0.00 0.27 0.29 0.00 -1.00 0.00 0.00 55.97 55.53 2k0f s LYS 73 Cb 0.00 -2.58 1.49 0.00 -2.06 0.00 0.00 37.83 34.68 2k0f s LYS 73 CO 0.00 0.21 2.07 -0.44 0.10 0.00 0.00 175.35 177.30 2k0f h ASP 74 N 2.05 0.00 -0.52 0.03 5.19 -1.98 0.45 116.42 121.65 2k0f h ASP 74 Ca -0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 2k0f h ASP 74 Cb 1.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2k0f h ASP 74 CO 0.67 0.11 0.28 0.71 -3.12 0.00 0.00 179.24 177.88 2k0f h THR 75 N 0.00 1.18 0.07 0.35 1.35 -1.99 -2.44 112.91 111.43 2k0f h THR 75 Ca -0.00 -0.46 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2k0f h THR 75 Cb 0.35 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2k0f h THR 75 CO 0.01 0.19 -0.04 0.44 -0.25 0.00 0.00 175.52 175.88 2k0f h ASP 76 N 0.69 -0.08 0.24 5.36 3.32 -1.33 -2.14 116.42 122.48 2k0f h ASP 76 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 76 Cb 0.06 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2k0f h ASP 76 CO -0.03 0.07 -0.10 0.28 -1.72 0.00 0.00 179.24 177.74 2k0f h SER 77 N -0.24 0.00 0.13 6.45 0.02 -1.25 -1.41 113.55 117.25 2k0f h SER 77 Ca -0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 2k0f h SER 77 Cb 0.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k0f h SER 77 CO 0.02 0.10 -1.20 -0.08 -1.14 0.00 0.00 176.83 174.52 2k0f h GLU 78 N 0.00 0.27 -0.65 3.45 4.81 -1.35 -3.24 114.58 117.86 2k0f h GLU 78 Ca -0.00 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2k0f h GLU 78 Cb 0.25 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 78 CO 0.01 1.22 0.29 0.93 -0.73 0.00 0.00 179.01 180.74 2k0f h GLU 79 N -0.32 0.94 -0.20 1.92 4.39 -1.04 -1.20 114.58 119.07 2k0f h GLU 79 Ca -0.25 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.37 2k0f h GLU 79 Cb 1.73 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 30.14 2k0f h GLU 79 CO 0.10 0.75 -0.42 1.49 -1.16 0.00 0.00 179.01 179.77 2k0f h GLU 80 N 0.93 -0.43 -0.03 2.33 4.81 -1.43 -0.37 114.58 120.40 2k0f h GLU 80 Ca 0.22 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 80 Cb 0.14 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 80 CO -0.03 -0.29 -0.59 0.82 -0.73 0.00 0.00 179.01 178.19 2k0f h ILE 81 N -0.45 1.41 -0.69 2.32 1.08 -1.46 -2.71 117.51 117.01 2k0f h ILE 81 Ca 0.09 -2.01 -0.03 0.00 -0.39 0.00 0.00 64.86 62.52 2k0f h ILE 81 Cb 0.61 2.05 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 2k0f h ILE 81 CO -0.44 0.58 0.29 0.03 -0.69 0.00 0.00 178.15 177.93 2k0f h ARG 82 N 0.07 1.00 -0.18 2.37 3.08 -1.05 -1.45 114.38 118.22 2k0f h ARG 82 Ca -0.01 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.73 2k0f h ARG 82 Cb 1.07 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k0f h ARG 82 CO 0.08 0.80 -0.53 0.93 -1.07 0.00 0.00 179.97 180.19 2k0f h GLU 83 N 0.98 0.68 -0.72 0.04 4.39 -0.94 -0.20 114.58 118.81 2k0f h GLU 83 Ca 0.23 -0.49 0.12 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 83 Cb 0.16 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2k0f h GLU 83 CO -0.02 1.11 0.48 0.00 -1.16 0.00 0.00 179.01 179.41 2k0f h ALA 84 N 0.57 1.97 -0.24 3.43 0.00 -1.51 0.25 119.26 123.73 2k0f h ALA 84 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 84 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 84 CO 0.11 -0.14 -0.10 0.35 0.00 0.00 0.00 179.25 179.47 2k0f h PHE 85 N 0.51 0.57 0.00 0.00 3.57 -1.06 -3.23 116.94 117.31 2k0f h PHE 85 Ca 0.34 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2k0f h PHE 85 Cb 0.63 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2k0f h PHE 85 CO -0.00 0.76 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.56 2k0f h ARG 86 N 0.23 0.00 -0.33 1.11 2.43 0.13 -2.47 114.38 115.47 2k0f h ARG 86 Ca 0.06 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2k0f h ARG 86 Cb 0.60 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 86 CO 0.03 0.18 -0.22 0.28 -1.51 0.00 0.00 179.97 178.74 2k0f h VAL 87 N 0.00 0.41 0.39 0.20 2.07 -1.01 -3.30 116.25 115.01 2k0f h VAL 87 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k0f h VAL 87 Cb 0.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k0f h VAL 87 CO 0.02 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 177.17 2k0f h PHE 88 N -0.18 -0.49 -2.81 1.57 0.04 -1.60 -3.45 116.94 110.02 2k0f h PHE 88 Ca 0.17 -0.01 -0.56 0.00 2.80 0.00 0.00 57.97 60.37 2k0f h PHE 88 Cb 0.44 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 2k0f h PHE 88 CO -0.42 -0.23 0.95 0.34 -0.60 0.00 0.00 178.31 178.35 2k0f s ASP 89 N -4.98 6.83 -0.20 2.17 2.15 -0.96 -4.71 116.67 116.97 2k0f s ASP 89 Ca -0.10 1.97 0.02 0.00 0.43 0.00 0.00 52.55 54.87 2k0f s ASP 89 Cb 0.01 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.33 -0.80 -0.17 1.17 -0.17 0.00 0.00 175.17 175.53 2k0f n LYS 90 N 6.49 0.56 -0.05 4.34 4.81 -1.26 -4.67 118.16 128.39 2k0f n LYS 90 Ca 0.15 0.11 -0.14 0.00 -0.87 0.00 0.00 58.31 57.56 2k0f n LYS 90 Cb 0.44 -1.41 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 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 0.00 -0.00 0.00 3.14 3.04 -1.96 -3.49 116.42 117.15 2k0f h ASP 91 Ca -0.45 -0.80 0.00 0.00 -3.24 0.00 0.00 57.03 52.54 2k0f h ASP 91 Cb 1.72 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.01 2k0f h ASP 91 CO -0.06 0.80 0.00 0.61 -2.04 0.00 0.00 179.24 178.54 2k0f n GLY 92 N 1.07 0.99 0.13 7.15 0.00 -1.26 -5.03 105.19 108.24 2k0f n GLY 92 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 1.61 7.08 -1.94 -3.47 115.58 118.85 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 176.45 2k0f n GLY 94 N 1.25 0.63 2.96 9.14 0.00 -1.26 -5.06 105.19 112.85 2k0f n GLY 94 Ca -0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.01 1.04 -0.26 1.61 1.51 -1.26 -4.46 117.35 113.51 2k0f s TYR 95 Ca 0.00 -0.33 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2k0f s TYR 95 Cb 0.00 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2k0f s TYR 95 CO 0.00 -0.20 0.57 0.42 -1.11 0.00 0.00 175.55 175.22 2k0f s ILE 96 N 0.69 5.02 0.54 2.71 1.01 0.01 -4.85 121.20 126.33 2k0f s ILE 96 Ca -0.11 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 2k0f s ILE 96 Cb -0.14 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2k0f s ILE 96 CO 0.02 0.04 0.79 -0.94 0.00 0.00 0.00 174.94 174.85 2k0f s SER 97 N 1.53 5.55 0.31 3.58 1.04 -1.26 -1.64 113.70 122.81 2k0f s SER 97 Ca 0.23 0.37 -0.00 0.00 0.48 0.00 0.00 55.95 57.03 2k0f s SER 97 Cb -0.16 -1.41 0.49 0.00 0.10 0.00 0.00 66.02 65.05 2k0f s SER 97 CO 0.09 -0.98 1.91 0.00 0.98 0.00 0.00 173.24 175.24 2k0f h ALA 98 N 0.07 1.36 -0.38 5.32 0.00 -1.95 -1.52 119.26 122.16 2k0f h ALA 98 Ca -0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2k0f h ALA 98 Cb 1.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2k0f h ALA 98 CO 0.57 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 180.26 2k0f h ALA 99 N 1.46 1.18 -0.20 0.00 0.00 -1.98 0.88 119.26 120.60 2k0f h ALA 99 Ca 0.21 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 99 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 99 CO -0.03 0.53 -0.21 0.93 0.00 0.00 0.00 179.25 180.47 2k0f h GLU 100 N 0.59 0.49 -0.40 0.00 5.08 -1.83 -3.21 114.58 115.30 2k0f h GLU 100 Ca 0.11 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 100 Cb 0.47 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 100 CO 0.03 0.85 0.08 1.25 -1.00 0.00 0.00 179.01 180.21 2k0f h LEU 101 N 0.16 0.63 -1.52 1.33 5.85 -1.09 -2.96 115.31 117.71 2k0f h LEU 101 Ca 0.03 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 101 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2k0f h LEU 101 CO 0.05 0.71 0.37 -0.09 -0.34 0.00 0.00 178.44 179.14 2k0f h ARG 102 N 0.51 0.61 0.01 1.25 2.43 -0.95 -1.24 114.38 117.00 2k0f h ARG 102 Ca 0.12 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 102 Cb 0.34 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2k0f h ARG 102 CO 0.01 0.41 -0.88 1.25 -1.51 0.00 0.00 179.97 179.24 2k0f h HIS 103 N 0.63 0.87 -0.79 2.20 2.76 -1.52 -2.50 115.15 116.80 2k0f h HIS 103 Ca 0.22 -0.48 0.02 0.00 -2.20 0.00 0.00 60.37 57.93 2k0f h HIS 103 Cb 0.11 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 2k0f h HIS 103 CO -0.00 1.31 0.52 0.28 -1.30 0.00 0.00 177.93 178.74 2k0f h VAL 104 N 0.18 1.17 0.00 5.26 2.07 -1.37 -2.27 116.25 121.28 2k0f h VAL 104 Ca -0.11 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2k0f h VAL 104 Cb 1.56 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2k0f h VAL 104 CO 0.17 0.19 -0.50 0.24 0.02 0.00 0.00 177.57 177.69 2k0f h MET 105 N 1.03 0.00 -0.25 1.57 2.07 -1.16 -0.95 114.93 117.23 2k0f h MET 105 Ca 0.30 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.91 2k0f h MET 105 Cb -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 2k0f h MET 105 CO -0.07 0.50 0.10 1.15 1.07 0.00 0.00 176.91 179.65 2k0f h THR 106 N 0.00 1.17 -0.15 2.22 2.02 -1.09 0.91 112.91 117.99 2k0f h THR 106 Ca -0.00 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 2k0f h THR 106 Cb 0.88 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2k0f h THR 106 CO 0.06 0.17 -0.51 0.78 0.37 0.00 0.00 175.52 176.40 2k0f h ASN 107 N 0.25 0.44 -0.64 4.18 -0.26 -0.74 -2.85 115.58 115.96 2k0f h ASN 107 Ca 0.08 -0.22 0.03 0.00 -0.56 0.00 0.00 56.30 55.63 2k0f h ASN 107 Cb 0.18 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 2k0f h ASN 107 CO -0.01 0.87 0.40 -0.07 -1.06 0.00 0.00 177.43 177.56 2k0f h LEU 108 N 0.32 0.64 -0.61 1.61 3.38 -1.20 -3.47 115.31 115.98 2k0f h LEU 108 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 108 Cb 1.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k0f h LEU 108 CO 0.09 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2k0f n GLY 109 N -1.28 0.59 3.47 0.83 0.00 -0.15 -4.82 105.19 103.82 2k0f n GLY 109 Ca 0.06 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.83 3.70 -1.03 1.61 0.41 0.13 -5.02 118.70 117.67 2k0f s GLU 110 Ca 0.00 -0.45 -0.22 0.00 -0.41 0.00 0.00 54.97 53.89 2k0f s GLU 110 Cb 0.00 -3.37 0.07 0.00 -1.78 0.00 0.00 34.13 29.05 2k0f s GLU 110 CO 0.00 -0.18 1.41 0.15 -0.49 0.00 0.00 175.26 176.15 2k0f s LYS 111 N 1.61 3.64 0.23 1.61 1.02 -1.26 -4.63 119.74 121.95 2k0f s LYS 111 Ca 0.06 -1.34 0.08 0.00 0.02 0.00 0.00 55.97 54.79 2k0f s LYS 111 Cb -0.15 -5.29 -0.04 0.00 -0.52 0.00 0.00 37.83 31.83 2k0f s LYS 111 CO 0.05 -2.12 0.08 -0.51 -0.92 0.00 0.00 175.35 171.92 2k0f s LEU 112 N 4.42 3.50 0.00 3.17 1.43 -1.26 -5.16 118.68 124.78 2k0f s LEU 112 Ca 0.44 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2k0f s LEU 112 Cb -0.01 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2k0f s LEU 112 CO -0.08 0.02 0.13 0.35 0.23 0.00 0.00 176.35 177.00 2k0f n THR 113 N -0.72 0.00 0.01 5.49 -2.24 -1.26 -5.01 114.28 110.55 2k0f n THR 113 Ca -0.08 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2k0f n THR 113 Cb 0.57 -1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.04 0.70 -0.06 3.42 5.19 -2.01 -3.01 116.42 120.61 2k0f h ASP 114 Ca -0.04 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2k0f h ASP 114 Cb 0.18 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2k0f h ASP 114 CO 0.06 1.19 0.04 -0.33 -3.12 0.00 0.00 179.24 177.08 2k0f h GLU 115 N 0.42 0.09 -0.88 3.56 3.07 -2.00 -2.75 114.58 116.10 2k0f h GLU 115 Ca -0.03 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.01 2k0f h GLU 115 Cb 1.28 -0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 29.07 2k0f h GLU 115 CO 0.13 0.10 0.42 0.93 -1.40 0.00 0.00 179.01 179.19 2k0f h GLU 116 N 0.05 0.51 0.26 2.33 4.39 -1.96 -1.65 114.58 118.51 2k0f h GLU 116 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 116 Cb 0.03 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2k0f h GLU 116 CO -0.00 0.34 -0.12 0.28 -1.16 0.00 0.00 179.01 178.34 2k0f h VAL 117 N 0.53 0.76 -0.32 3.13 2.07 -1.38 -3.03 116.25 118.01 2k0f h VAL 117 Ca 0.51 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2k0f h VAL 117 Cb 0.85 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2k0f h VAL 117 CO -0.44 0.14 -0.28 -0.78 0.02 0.00 0.00 177.57 176.24 2k0f h ASP 118 N -0.75 0.68 -0.52 0.57 3.58 -1.17 -2.84 116.42 115.98 2k0f h ASP 118 Ca -0.04 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.18 2k0f h ASP 118 Cb 0.50 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2k0f h ASP 118 CO 0.06 0.93 0.34 -0.08 -2.88 0.00 0.00 179.24 177.61 2k0f h GLU 119 N 0.58 0.59 0.16 0.28 4.81 -1.39 -1.82 114.58 117.79 2k0f h GLU 119 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 119 Cb 0.77 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2k0f h GLU 119 CO 0.06 0.39 -0.08 1.98 -0.73 0.00 0.00 179.01 180.64 2k0f h MET 120 N 0.61 -0.20 -0.01 1.92 4.05 -1.46 -0.31 114.93 119.53 2k0f h MET 120 Ca 0.20 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.56 2k0f h MET 120 Cb 0.07 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 120 CO -0.05 0.13 -0.37 0.82 0.23 0.00 0.00 176.91 177.67 2k0f h ILE 121 N -0.56 1.27 -0.31 1.77 1.08 -1.29 -2.15 117.51 117.32 2k0f h ILE 121 Ca -0.02 -1.28 -0.17 0.00 -0.39 0.00 0.00 64.86 63.01 2k0f h ILE 121 Cb 0.43 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2k0f h ILE 121 CO 0.04 0.37 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.31 2k0f h ARG 122 N 0.01 0.82 -0.25 2.37 2.43 -1.35 -2.36 114.38 116.06 2k0f h ARG 122 Ca -0.00 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 2k0f h ARG 122 Cb 0.66 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2k0f h ARG 122 CO 0.05 1.10 -0.04 1.49 -1.51 0.00 0.00 179.97 181.06 2k0f h GLU 123 N 0.65 0.03 0.00 0.20 4.81 -0.85 -3.27 114.58 116.15 2k0f h GLU 123 Ca 0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 123 Cb 1.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2k0f h GLU 123 CO 0.10 0.02 -0.17 0.00 -0.73 0.00 0.00 179.01 178.23 2k0f h ALA 124 N 1.23 1.06 -2.71 2.92 0.00 -1.23 -3.46 119.26 117.09 2k0f h ALA 124 Ca 0.12 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 124 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 124 CO -0.23 0.21 0.20 0.34 0.00 0.00 0.00 179.25 179.77 2k0f s ASP 125 N -6.09 7.40 -0.01 0.00 2.15 -0.90 -4.87 116.67 114.35 2k0f s ASP 125 Ca -0.00 1.68 -0.04 0.00 0.43 0.00 0.00 52.55 54.62 2k0f s ASP 125 Cb 0.11 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2k0f s ASP 125 CO 0.61 0.18 -0.07 -0.38 -0.17 0.00 0.00 175.17 175.34 2k0f n ILE 126 N 1.48 0.72 -0.18 4.11 5.41 -1.26 -4.78 119.36 124.85 2k0f n ILE 126 Ca -0.05 0.25 -0.02 0.00 1.00 0.00 0.00 62.75 63.94 2k0f n ILE 126 Cb 0.49 -1.57 0.05 0.00 -0.71 0.00 0.00 39.64 37.90 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 -0.21 -0.46 0.00 4.38 3.04 -1.94 -3.47 116.42 117.76 2k0f h ASP 127 Ca 0.00 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 2k0f h ASP 127 Cb 0.21 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 2k0f h ASP 127 CO 0.00 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 2k0f n GLY 128 N -1.38 1.30 0.14 7.15 0.00 -1.26 -5.00 105.19 106.15 2k0f n GLY 128 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.19 0.00 1.61 3.04 -1.98 -3.48 116.42 115.81 2k0f h ASP 129 Ca 0.00 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 129 Cb 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2k0f h ASP 129 CO 0.00 0.84 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 2k0f n GLY 130 N 0.50 0.61 3.70 7.15 0.00 -1.26 -5.08 105.19 110.82 2k0f n GLY 130 Ca -0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.96 2.10 -0.20 1.61 -0.21 -1.26 -4.81 119.66 115.92 2k0f s GLN 131 Ca 0.00 -2.09 0.01 0.00 0.02 0.00 0.00 55.36 53.30 2k0f s GLN 131 Cb 0.00 -1.74 0.03 0.00 1.00 0.00 0.00 33.01 32.29 2k0f s GLN 131 CO 0.00 -0.16 -0.16 0.08 -2.12 0.00 0.00 175.29 172.93 2k0f s VAL 132 N -2.72 2.23 0.31 1.09 1.01 -0.65 -4.72 120.40 116.95 2k0f s VAL 132 Ca 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2k0f s VAL 132 Cb 0.06 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.47 2k0f s VAL 132 CO 0.16 0.39 0.42 -0.46 0.00 0.00 0.00 175.10 175.62 2k0f n ASN 133 N 4.60 0.61 -0.02 3.32 0.23 -1.26 -0.81 115.26 121.92 2k0f n ASN 133 Ca -0.19 -1.50 -0.14 0.00 -0.53 0.00 0.00 54.58 52.22 2k0f n ASN 133 Cb 0.48 -0.27 -0.02 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.44 0.93 -0.83 -2.53 3.20 -1.99 -1.64 116.97 113.67 2k0f h TYR 134 Ca -0.14 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 2k0f h TYR 134 Cb 0.53 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 2k0f h TYR 134 CO 0.00 1.17 0.49 0.93 -1.64 0.00 0.00 178.16 179.11 2k0f h GLU 135 N 0.52 1.12 -0.94 1.82 5.08 -1.98 0.50 114.58 120.70 2k0f h GLU 135 Ca -0.01 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 135 Cb 1.24 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 135 CO 0.13 0.79 0.62 0.93 -1.00 0.00 0.00 179.01 180.48 2k0f h GLU 136 N 1.14 1.24 -0.32 2.33 5.08 -1.88 -2.92 114.58 119.25 2k0f h GLU 136 Ca 0.30 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 136 Cb -0.04 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 2k0f h GLU 136 CO -0.05 0.82 -0.44 0.35 -1.00 0.00 0.00 179.01 178.68 2k0f h PHE 137 N 1.27 0.99 -0.81 4.33 3.57 -0.00 -3.14 116.94 123.15 2k0f h PHE 137 Ca 0.34 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 137 Cb -0.14 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 2k0f h PHE 137 CO 0.00 1.11 0.43 0.28 -2.23 0.00 0.00 178.31 177.90 2k0f h VAL 138 N 0.65 1.24 -0.88 1.41 2.07 -0.95 -3.31 116.25 116.49 2k0f h VAL 138 Ca 0.04 -0.63 0.19 0.00 0.82 0.00 0.00 66.70 67.13 2k0f h VAL 138 Cb 1.02 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 138 CO 0.10 0.28 0.42 -0.61 0.02 0.00 0.00 177.57 177.77 2k0f h GLN 139 N 1.13 0.48 -0.02 1.57 5.75 -1.46 -3.05 115.11 119.51 2k0f h GLN 139 Ca 0.28 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.67 2k0f h GLN 139 Cb 0.06 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 2k0f h GLN 139 CO -0.04 0.32 -0.39 0.52 -2.65 0.00 0.00 178.83 176.58 2k0f h MET 140 N 0.49 0.04 0.00 1.69 2.86 -1.67 -3.03 114.93 115.31 2k0f h MET 140 Ca 0.53 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 58.05 2k0f h MET 140 Cb 0.91 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 2k0f h MET 140 CO -0.46 0.43 -0.65 0.52 1.06 0.00 0.00 176.91 177.81 2k0f h MET 141 N 0.03 0.00 0.00 1.72 2.86 -1.73 -3.54 114.93 114.28 2k0f h MET 141 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 141 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2k0f h MET 141 CO 0.05 0.36 0.00 2.41 1.06 0.00 0.00 176.91 180.79