#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 -0.00 -0.35 -0.78 4.39 -2.05 0.34 114.58 116.12 2k0f h GLU 2 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 -0.00 -0.36 1.49 -1.16 0.00 0.00 179.01 178.98 2k0f h GLU 3 N -0.00 0.82 -0.13 2.33 4.81 -2.05 -2.42 114.58 117.94 2k0f h GLU 3 Ca 0.40 -0.41 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 3 Cb 0.62 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 3 CO -0.87 1.05 -0.66 1.96 -0.73 0.00 0.00 179.01 179.76 2k0f h GLN 4 N 0.68 0.50 -0.34 1.92 7.50 -1.37 0.80 115.11 124.80 2k0f h GLN 4 Ca 0.06 -0.36 -0.02 0.00 0.50 0.00 0.00 58.65 58.83 2k0f h GLN 4 Cb 0.92 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 2k0f h GLN 4 CO 0.08 0.98 0.13 0.82 -1.50 0.00 0.00 178.83 179.35 2k0f h ILE 5 N 0.36 1.19 0.00 2.54 1.08 -1.40 -1.23 117.51 120.06 2k0f h ILE 5 Ca -0.02 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2k0f h ILE 5 Cb 1.22 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2k0f h ILE 5 CO 0.12 0.21 -0.17 0.00 -0.69 0.00 0.00 178.15 177.62 2k0f h ALA 6 N 0.97 1.33 0.09 1.87 0.00 -1.29 0.42 119.26 122.66 2k0f h ALA 6 Ca 0.11 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 6 Cb 0.20 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 6 CO -0.01 0.21 -0.87 1.49 0.00 0.00 0.00 179.25 180.07 2k0f h GLU 7 N 0.00 0.43 0.00 0.00 4.57 -0.41 -3.20 114.58 115.98 2k0f h GLU 7 Ca -0.00 -0.58 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 2k0f h GLU 7 Cb 0.40 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k0f h GLU 7 CO 0.02 1.24 -0.13 0.74 -1.18 0.00 0.00 179.01 179.70 2k0f h PHE 8 N -0.09 0.00 -0.47 0.92 0.04 -0.90 -3.34 116.94 113.10 2k0f h PHE 8 Ca -0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 2k0f h PHE 8 Cb 1.61 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 2k0f h PHE 8 CO 0.16 0.13 0.21 -0.22 -0.60 0.00 0.00 178.31 177.99 2k0f h LYS 9 N 0.00 0.69 -0.15 1.51 1.63 -0.91 -0.47 116.57 118.87 2k0f h LYS 9 Ca -0.00 -0.11 -0.18 0.00 -0.85 0.00 0.00 60.65 59.50 2k0f h LYS 9 Cb 0.68 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2k0f h LYS 9 CO 0.02 0.60 -0.65 0.93 -3.45 0.00 0.00 179.45 176.89 2k0f h GLU 10 N 0.61 0.57 -0.28 1.90 4.39 -1.68 -2.72 114.58 117.38 2k0f h GLU 10 Ca 0.16 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.28 2k0f h GLU 10 Cb 0.16 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k0f h GLU 10 CO -0.02 1.04 -0.48 0.00 -1.16 0.00 0.00 179.01 178.39 2k0f h ALA 11 N 0.86 0.62 -0.29 3.43 0.00 -1.65 -2.97 119.26 119.26 2k0f h ALA 11 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 11 Cb 1.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 11 CO 0.12 0.68 0.12 0.35 0.00 0.00 0.00 179.25 180.52 2k0f h PHE 12 N 0.60 0.39 0.00 0.00 3.57 -0.76 -2.75 116.94 117.98 2k0f h PHE 12 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 12 Cb 1.05 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2k0f h PHE 12 CO 0.06 0.31 0.00 0.43 -2.23 0.00 0.00 178.31 176.88 2k0f n SER 13 N -4.42 0.52 -0.06 0.41 7.64 -1.12 -1.43 113.62 115.16 2k0f n SER 13 Ca 0.01 0.59 -0.14 0.00 1.01 0.00 0.00 58.87 60.35 2k0f n SER 13 Cb 0.13 -0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 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 0.53 0.32 -3.43 3.38 -1.57 -3.32 115.31 111.22 2k0f h LEU 14 Ca 0.00 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2k0f h LEU 14 Cb 0.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 14 CO 0.00 0.93 -0.15 -0.26 0.09 0.00 0.00 178.44 179.05 2k0f h PHE 15 N 0.15 -0.40 -0.65 1.13 0.04 -1.56 -3.42 116.94 112.23 2k0f h PHE 15 Ca 0.02 -0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.50 2k0f h PHE 15 Cb 0.80 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 2k0f h PHE 15 CO 0.09 -0.25 0.77 0.34 -0.60 0.00 0.00 178.31 178.65 2k0f s ASP 16 N -2.96 5.06 0.45 2.17 2.15 -0.51 -4.78 116.67 118.25 2k0f s ASP 16 Ca -0.06 -0.85 0.31 0.00 0.43 0.00 0.00 52.55 52.38 2k0f s ASP 16 Cb 0.01 -2.57 1.50 0.00 -0.30 0.00 0.00 42.92 41.56 2k0f s ASP 16 CO 0.19 -2.87 1.93 0.11 -0.17 0.00 0.00 175.17 174.36 2k0f h LYS 17 N 11.03 0.00 0.00 4.34 1.79 -1.82 -2.64 116.57 129.28 2k0f h LYS 17 Ca 0.12 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.41 2k0f h LYS 17 Cb 0.99 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 2k0f h LYS 17 CO 1.20 0.00 -1.05 -0.44 -1.08 0.00 0.00 179.45 178.09 2k0f h ASP 18 N 0.00 0.00 -0.57 0.86 3.32 -1.90 -3.49 116.42 114.64 2k0f h ASP 18 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2k0f h ASP 18 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2k0f h ASP 18 CO 0.00 1.33 0.00 0.61 -1.72 0.00 0.00 179.24 179.46 2k0f n GLY 19 N 1.48 0.95 0.12 2.75 0.00 -1.00 -5.01 105.19 104.48 2k0f n GLY 19 Ca -0.26 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 1.14 1.73 0.00 1.61 5.75 -1.26 -5.00 116.55 120.52 2k0f n ASP 20 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2k0f n ASP 20 Cb 0.36 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 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 1.89 0.78 3.22 6.12 0.00 -1.26 -5.09 105.19 110.85 2k0f n GLY 21 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -0.15 1.56 -0.22 2.61 -4.23 -1.26 -2.30 115.64 111.64 2k0f s THR 22 Ca 0.00 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2k0f s THR 22 Cb 0.00 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 2k0f s THR 22 CO 0.00 0.28 0.09 -0.63 -0.54 0.00 0.00 174.62 173.82 2k0f s ILE 23 N -0.66 4.73 0.75 2.99 1.01 -0.39 -4.63 121.20 125.00 2k0f s ILE 23 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2k0f s ILE 23 Cb -0.08 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 39.28 2k0f s ILE 23 CO 0.01 0.38 1.08 0.42 0.00 0.00 0.00 174.94 176.83 2k0f s THR 24 N 1.06 2.17 0.26 2.92 -4.23 -1.26 -2.90 115.64 113.66 2k0f s THR 24 Ca 0.05 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.27 2k0f s THR 24 Cb -0.14 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.09 2k0f s THR 24 CO 0.03 0.00 1.56 0.71 -0.54 0.00 0.00 174.62 176.38 2k0f h THR 25 N -0.80 0.00 -0.14 3.99 1.35 -1.87 0.01 112.91 115.46 2k0f h THR 25 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2k0f h THR 25 Cb 1.32 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2k0f h THR 25 CO 0.61 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.96 2k0f h LYS 26 N -0.00 0.26 -0.35 4.72 1.57 -1.97 0.11 116.57 120.92 2k0f h LYS 26 Ca 0.43 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 2k0f h LYS 26 Cb 0.68 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2k0f h LYS 26 CO -1.01 0.55 0.18 0.93 -0.57 0.00 0.00 179.45 179.53 2k0f h GLU 27 N -0.04 0.36 -0.65 3.15 5.08 -1.87 -2.16 114.58 118.45 2k0f h GLU 27 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 27 Cb 0.45 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 27 CO 0.01 0.24 0.40 1.25 -1.00 0.00 0.00 179.01 179.91 2k0f h LEU 28 N 0.37 0.77 0.56 1.33 5.85 -0.88 -1.91 115.31 121.40 2k0f h LEU 28 Ca 0.15 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2k0f h LEU 28 Cb 0.05 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.89 2k0f h LEU 28 CO -0.10 0.59 -0.27 1.23 -0.34 0.00 0.00 178.44 179.56 2k0f h GLY 29 N 0.88 -0.79 -0.67 3.75 0.00 -0.93 -1.64 103.07 103.67 2k0f h GLY 29 Ca 0.23 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.92 2k0f h GLY 29 CO -0.05 -0.29 -0.40 2.41 0.00 0.00 0.00 176.54 178.22 2k0f n THR 30 N -5.36 -0.46 0.05 4.70 -1.04 -0.82 -0.06 114.28 111.29 2k0f n THR 30 Ca -0.12 1.74 -0.11 0.00 -2.04 0.00 0.00 64.05 63.52 2k0f n THR 30 Cb 0.33 -2.16 -0.04 0.00 -1.82 0.00 0.00 70.33 66.64 2k0f n THR 30 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k0f h VAL 31 N 0.00 0.52 -0.50 12.58 2.07 -1.30 0.47 116.25 130.09 2k0f h VAL 31 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2k0f h VAL 31 Cb 0.28 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2k0f h VAL 31 CO -0.63 0.00 0.33 0.24 0.02 0.00 0.00 177.57 177.53 2k0f h MET 32 N -0.31 0.42 0.00 1.57 2.86 -0.84 -1.43 114.93 117.20 2k0f h MET 32 Ca 0.06 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2k0f h MET 32 Cb 0.40 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2k0f h MET 32 CO -0.20 0.28 -0.65 -0.09 1.06 0.00 0.00 176.91 177.31 2k0f h ARG 33 N 0.44 0.00 -0.25 1.72 2.43 -0.16 0.05 114.38 118.60 2k0f h ARG 33 Ca 0.22 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2k0f h ARG 33 Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2k0f h ARG 33 CO -0.06 0.23 -0.21 0.77 -1.51 0.00 0.00 179.97 179.19 2k0f h SER 34 N 0.00 0.46 0.00 -3.80 0.02 0.10 -3.28 113.55 107.05 2k0f h SER 34 Ca -0.03 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2k0f h SER 34 Cb 1.25 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2k0f h SER 34 CO 0.03 0.68 0.00 0.18 -1.14 0.00 0.00 176.83 176.58 2k0f n LEU 35 N -4.15 0.58 0.00 5.07 4.77 -0.96 -4.92 117.00 117.40 2k0f n LEU 35 Ca -0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2k0f n LEU 35 Cb 0.38 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2k0f n LEU 35 CO 0.41 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2k0f n GLY 36 N 0.64 0.00 3.15 -0.72 0.00 -0.49 -5.11 105.19 102.67 2k0f n GLY 36 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.47 -0.56 1.61 2.00 -0.12 -4.97 119.66 120.09 2k0f s GLN 37 Ca 0.00 -0.71 -0.15 0.00 -2.00 0.00 0.00 55.36 52.50 2k0f s GLN 37 Cb 0.00 -1.94 0.14 0.00 0.80 0.00 0.00 33.01 32.01 2k0f s GLN 37 CO 0.00 0.15 0.51 -0.80 -0.50 0.00 0.00 175.29 174.65 2k0f s ASN 38 N 0.38 6.19 1.07 6.67 0.01 -1.26 -3.40 114.94 124.61 2k0f s ASN 38 Ca -0.15 -1.90 -0.17 0.00 -0.71 0.00 0.00 52.86 49.93 2k0f s ASN 38 Cb -0.16 -2.19 0.23 0.00 0.41 0.00 0.00 41.25 39.54 2k0f s ASN 38 CO 0.06 -0.81 1.17 -2.16 -1.51 0.00 0.00 177.10 173.85 2k0f s PRO 39 N 1.42 -0.21 0.45 -0.60 0.04 -1.26 -5.09 135.00 129.76 2k0f s PRO 39 Ca 0.05 -0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.11 2k0f s PRO 39 Cb -0.28 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2k0f s PRO 39 CO 0.01 -3.04 0.59 0.95 0.04 0.00 0.00 177.00 175.55 2k0f s THR 40 N -3.29 2.75 0.13 1.26 -4.23 -1.26 -5.01 115.64 106.00 2k0f s THR 40 Ca 0.70 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 2k0f s THR 40 Cb -0.10 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 40 CO 0.55 0.00 1.39 -0.33 -0.54 0.00 0.00 174.62 175.69 2k0f h GLU 41 N 0.60 0.83 -0.76 3.99 4.39 -1.98 -1.30 114.58 120.34 2k0f h GLU 41 Ca -0.38 -0.56 0.09 0.00 0.34 0.00 0.00 59.36 58.85 2k0f h GLU 41 Cb 1.28 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.94 2k0f h GLU 41 CO 0.46 1.19 0.42 0.00 -1.16 0.00 0.00 179.01 179.91 2k0f h ALA 42 N 0.69 1.07 -0.36 3.43 0.00 -1.99 -0.97 119.26 121.12 2k0f h ALA 42 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 42 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2k0f h ALA 42 CO 0.13 0.04 0.13 0.93 0.00 0.00 0.00 179.25 180.48 2k0f h GLU 43 N 0.71 0.55 -0.22 0.00 5.08 -1.92 -1.84 114.58 116.93 2k0f h GLU 43 Ca 0.37 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 43 Cb 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 43 CO -0.24 0.55 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.91 2k0f h LEU 44 N 0.44 0.49 -0.52 1.33 3.38 -0.82 -0.32 115.31 119.28 2k0f h LEU 44 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2k0f h LEU 44 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2k0f h LEU 44 CO -0.01 0.80 0.17 1.56 0.09 0.00 0.00 178.44 181.05 2k0f h GLN 45 N 0.40 0.81 -0.30 1.13 4.20 -1.18 -2.99 115.11 117.17 2k0f h GLN 45 Ca 0.05 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.64 2k0f h GLN 45 Cb 0.78 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 2k0f h GLN 45 CO 0.06 0.74 0.01 0.22 -0.67 0.00 0.00 178.83 179.19 2k0f h ASP 46 N 0.72 -0.09 -0.96 1.46 3.58 -1.18 0.48 116.42 120.42 2k0f h ASP 46 Ca 0.17 0.06 0.21 0.00 0.42 0.00 0.00 57.03 57.90 2k0f h ASP 46 Cb 0.26 0.11 -0.12 0.00 1.72 0.00 0.00 39.33 41.30 2k0f h ASP 46 CO -0.01 -0.01 0.53 0.24 -2.88 0.00 0.00 179.24 177.12 2k0f h MET 47 N 0.11 0.57 0.04 0.28 2.86 -1.10 -2.94 114.93 114.75 2k0f h MET 47 Ca 0.15 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 47 Cb 0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 47 CO -0.23 0.38 -0.68 0.82 1.06 0.00 0.00 176.91 178.26 2k0f h ILE 48 N 0.59 1.41 -0.89 -1.22 2.04 -1.23 -3.39 117.51 114.82 2k0f h ILE 48 Ca 0.59 -2.34 0.20 0.00 1.00 0.00 0.00 64.86 64.31 2k0f h ILE 48 Cb 1.04 2.96 -0.06 0.00 -0.74 0.00 0.00 36.82 40.02 2k0f h ILE 48 CO -0.45 0.57 0.59 -1.13 0.00 0.00 0.00 178.15 177.73 2k0f h ASN 49 N -0.79 0.39 -0.48 1.72 -1.24 0.11 -2.33 115.58 112.97 2k0f h ASN 49 Ca -0.16 0.04 -0.14 0.00 0.71 0.00 0.00 56.30 56.75 2k0f h ASN 49 Cb 1.30 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 2k0f h ASN 49 CO -0.02 0.16 -0.24 -0.08 -1.29 0.00 0.00 177.43 175.96 2k0f h GLU 50 N 0.39 1.00 -0.00 6.67 4.81 -1.72 -3.19 114.58 122.54 2k0f h GLU 50 Ca 0.46 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 50 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 50 CO -0.17 1.12 -0.41 1.33 -0.73 0.00 0.00 179.01 180.15 2k0f n VAL 51 N -4.10 0.00 -2.16 0.32 0.24 -0.91 -4.78 118.33 106.94 2k0f n VAL 51 Ca -0.00 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 2k0f n VAL 51 Cb 0.47 0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -2.82 5.46 0.06 -1.34 -1.08 -0.99 -4.87 116.67 111.09 2k0f s ASP 52 Ca 0.16 -0.25 -0.18 0.00 -0.52 0.00 0.00 52.55 51.76 2k0f s ASP 52 Cb 0.18 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.96 2k0f s ASP 52 CO 0.64 -2.34 1.33 0.00 0.52 0.00 0.00 175.17 175.32 2k0f h ALA 53 N 12.68 0.28 -3.00 3.66 0.00 -1.88 -3.38 119.26 127.62 2k0f h ALA 53 Ca -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k0f h ALA 53 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 53 CO 1.24 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.39 2k0f n ASP 54 N -4.36 0.00 0.00 0.00 5.68 -1.26 -5.05 116.55 111.56 2k0f n ASP 54 Ca -0.06 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 2k0f n ASP 54 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 0.44 0.52 0.23 6.12 0.00 -1.26 -5.05 105.19 106.19 2k0f n GLY 55 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.97 -3.46 115.58 118.84 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.17 0.00 0.61 -2.08 0.00 0.00 177.43 176.13 2k0f n GLY 57 N -0.95 0.89 3.10 9.14 0.00 -1.26 -5.08 105.19 111.03 2k0f n GLY 57 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.88 -0.23 2.61 -4.23 -1.26 -4.73 115.64 106.68 2k0f s THR 58 Ca 0.00 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.30 2k0f s THR 58 Cb 0.00 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.02 2k0f s THR 58 CO 0.00 -0.08 1.01 -0.51 -0.54 0.00 0.00 174.62 174.50 2k0f s ILE 59 N -0.89 4.70 0.30 2.99 2.07 -1.14 -4.82 121.20 124.41 2k0f s ILE 59 Ca -0.01 1.97 0.01 0.00 -1.41 0.00 0.00 60.65 61.21 2k0f s ILE 59 Cb -0.08 -4.28 0.06 0.00 0.13 0.00 0.00 42.46 38.29 2k0f s ILE 59 CO 0.01 -0.16 0.42 0.47 -1.91 0.00 0.00 174.94 173.77 2k0f n ASP 60 N 6.24 0.67 0.25 4.50 9.92 -1.26 -1.26 116.55 135.61 2k0f n ASP 60 Ca 0.11 -1.54 -0.15 0.00 -0.53 0.00 0.00 54.79 52.68 2k0f n ASP 60 Cb 0.46 -0.26 -0.08 0.00 -0.64 0.00 0.00 41.12 40.60 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -0.35 -0.60 0.00 1.24 3.57 -1.86 0.13 116.94 119.07 2k0f h PHE 61 Ca -0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 61 Cb 0.54 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2k0f h PHE 61 CO 0.00 -0.28 0.00 -1.00 -2.23 0.00 0.00 178.31 174.80 2k0f h PRO 62 N -0.90 0.00 0.08 6.41 0.13 -1.98 0.30 132.00 136.05 2k0f h PRO 62 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2k0f h PRO 62 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2k0f h PRO 62 CO 0.11 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 178.77 2k0f h GLU 63 N 0.00 -0.11 -0.54 0.86 5.08 -1.86 -2.60 114.58 115.42 2k0f h GLU 63 Ca 0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 63 Cb 0.27 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 63 CO 0.00 0.41 -0.17 0.35 -1.00 0.00 0.00 179.01 178.60 2k0f h PHE 64 N -0.91 -0.39 -0.88 4.33 3.57 0.21 -1.38 116.94 121.48 2k0f h PHE 64 Ca -0.01 0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.69 2k0f h PHE 64 Cb 0.56 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 2k0f h PHE 64 CO 0.12 -0.26 0.48 -0.07 -2.23 0.00 0.00 178.31 176.35 2k0f h LEU 65 N -0.04 0.61 -0.38 0.59 3.38 -1.07 -1.25 115.31 117.15 2k0f h LEU 65 Ca 0.25 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 65 Cb 0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k0f h LEU 65 CO -0.57 0.27 -0.46 0.74 0.09 0.00 0.00 178.44 178.51 2k0f h THR 66 N 0.69 1.28 -0.63 0.22 2.02 -1.02 -1.25 112.91 114.23 2k0f h THR 66 Ca 0.48 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 66.04 2k0f h THR 66 Cb 0.65 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 2k0f h THR 66 CO -0.35 0.54 0.39 -0.03 0.37 0.00 0.00 175.52 176.44 2k0f h MET 67 N 0.69 0.76 0.00 6.66 1.85 -0.94 -2.19 114.93 121.76 2k0f h MET 67 Ca 0.04 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2k0f h MET 67 Cb 1.05 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.91 2k0f h MET 67 CO 0.11 0.50 0.00 0.52 -0.40 0.00 0.00 176.91 177.64 2k0f h MET 68 N 0.78 0.00 -0.00 0.39 2.07 -1.16 -3.06 114.93 113.95 2k0f h MET 68 Ca 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 2k0f h MET 68 Cb -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 2k0f h MET 68 CO -0.09 0.00 -0.21 0.00 1.07 0.00 0.00 176.91 177.68 2k0f n ALA 69 N -2.05 2.92 -1.80 6.32 0.00 -0.48 -4.83 120.51 120.60 2k0f n ALA 69 Ca 0.01 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 69 Cb 0.32 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.71 2.57 -0.14 0.00 3.52 -1.06 -4.95 118.95 116.17 2k0f s ARG 70 Ca 0.21 1.20 -0.26 0.00 -0.13 0.00 0.00 55.73 56.74 2k0f s ARG 70 Cb 0.19 -4.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.13 2k0f s ARG 70 CO 0.55 -2.76 0.87 0.21 -0.81 0.00 0.00 175.30 173.35 2k0f s LYS 71 N 7.26 4.34 0.58 5.12 2.20 -1.26 -5.03 119.74 132.95 2k0f s LYS 71 Ca 0.85 1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 57.54 2k0f s LYS 71 Cb -0.18 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 2k0f s LYS 71 CO 0.26 -0.29 0.84 -1.64 -0.36 0.00 0.00 175.35 174.16 2k0f s MET 72 N 2.00 2.60 0.00 4.03 -1.94 -1.26 -5.11 119.30 119.61 2k0f s MET 72 Ca 0.41 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 2k0f s MET 72 Cb -0.17 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.28 2k0f s MET 72 CO 0.14 -0.77 0.00 0.36 -0.01 0.00 0.00 175.02 174.74 2k0f n LYS 73 N -2.48 0.70 0.12 2.03 2.85 -1.26 -4.79 118.16 115.33 2k0f n LYS 73 Ca 0.06 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.22 2k0f n LYS 73 Cb 0.59 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.13 -0.33 -0.30 -5.58 2.03 -1.99 -2.64 116.42 107.48 2k0f h ASP 74 Ca 0.00 -0.17 -0.15 0.00 -0.73 0.00 0.00 57.03 55.98 2k0f h ASP 74 Cb 0.00 0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 2k0f h ASP 74 CO 0.00 0.16 -0.37 0.71 -1.03 0.00 0.00 179.24 178.71 2k0f h THR 75 N -0.98 1.28 -0.02 1.15 1.35 -1.98 -2.23 112.91 111.47 2k0f h THR 75 Ca -0.04 -1.54 -0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2k0f h THR 75 Cb 0.48 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2k0f h THR 75 CO 0.06 0.51 0.01 0.44 -0.25 0.00 0.00 175.52 176.30 2k0f h ASP 76 N 0.70 0.02 -0.36 5.36 3.32 -1.94 0.24 116.42 123.76 2k0f h ASP 76 Ca 0.06 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 76 Cb 0.94 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2k0f h ASP 76 CO 0.09 0.07 0.18 0.28 -1.72 0.00 0.00 179.24 178.14 2k0f h SER 77 N -0.02 0.28 -0.30 6.45 0.02 -1.14 -0.86 113.55 117.97 2k0f h SER 77 Ca 0.01 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2k0f h SER 77 Cb 0.05 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2k0f h SER 77 CO -0.00 0.20 0.18 -0.33 -1.14 0.00 0.00 176.83 175.74 2k0f h GLU 78 N 0.38 0.36 -0.66 3.45 4.39 -1.24 -3.05 114.58 118.20 2k0f h GLU 78 Ca 0.15 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 78 Cb 0.05 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2k0f h GLU 78 CO -0.10 0.24 0.17 1.49 -1.16 0.00 0.00 179.01 179.65 2k0f h GLU 79 N 0.37 1.04 0.00 2.33 4.57 -0.72 -3.33 114.58 118.83 2k0f h GLU 79 Ca 0.12 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 79 Cb -0.01 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2k0f h GLU 79 CO -0.05 0.91 0.00 -1.91 -1.18 0.00 0.00 179.01 176.78 2k0f n GLU 80 N -4.25 0.00 -0.09 1.92 2.13 -0.35 -1.95 120.64 118.06 2k0f n GLU 80 Ca 0.05 0.86 0.11 0.00 0.66 0.00 0.00 57.16 58.84 2k0f n GLU 80 Cb 0.24 -1.43 0.48 0.00 0.27 0.00 0.00 31.44 31.01 2k0f n GLU 80 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 2k0f h ILE 81 N 0.00 0.92 0.04 6.31 6.09 -1.73 -1.46 117.51 127.67 2k0f h ILE 81 Ca 0.00 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2k0f h ILE 81 Cb 0.00 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.72 2k0f h ILE 81 CO 0.00 0.08 -0.02 0.03 -3.07 0.00 0.00 178.15 175.17 2k0f h ARG 82 N 0.45 -0.05 -0.01 2.19 3.08 -1.62 -2.25 114.38 116.16 2k0f h ARG 82 Ca 0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 2k0f h ARG 82 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2k0f h ARG 82 CO -0.08 0.37 -0.37 0.93 -1.07 0.00 0.00 179.97 179.75 2k0f h GLU 83 N -0.48 0.02 -0.39 0.04 4.39 -1.19 -1.54 114.58 115.43 2k0f h GLU 83 Ca -0.01 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.44 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2k0f h GLU 83 CO 0.01 0.39 0.13 0.00 -1.16 0.00 0.00 179.01 178.37 2k0f h ALA 84 N 1.61 0.51 -0.19 3.43 0.00 -1.33 -2.39 119.26 120.89 2k0f h ALA 84 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 84 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 84 CO 0.05 0.14 -0.14 0.35 0.00 0.00 0.00 179.25 179.65 2k0f h PHE 85 N 0.48 0.33 -0.25 0.00 3.57 -1.17 -2.95 116.94 116.95 2k0f h PHE 85 Ca 0.13 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 2k0f h PHE 85 Cb 0.24 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2k0f h PHE 85 CO 0.01 0.45 -0.56 -0.09 -2.23 0.00 0.00 178.31 175.88 2k0f h ARG 86 N 0.29 0.79 0.00 1.11 2.43 -0.82 -3.06 114.38 115.12 2k0f h ARG 86 Ca 0.06 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2k0f h ARG 86 Cb 0.43 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2k0f h ARG 86 CO 0.03 1.13 -0.12 -0.24 -1.51 0.00 0.00 179.97 179.26 2k0f h VAL 87 N 0.60 0.00 0.14 0.20 3.04 -1.47 -3.36 116.25 115.40 2k0f h VAL 87 Ca 0.01 -0.60 -0.22 0.00 -1.01 0.00 0.00 66.70 64.88 2k0f h VAL 87 Cb 1.15 1.52 0.02 0.00 -2.01 0.00 0.00 31.29 31.98 2k0f h VAL 87 CO 0.12 0.00 -0.94 0.15 -1.01 0.00 0.00 177.57 175.89 2k0f h PHE 88 N 0.00 0.68 -2.71 3.17 3.04 -1.41 -3.44 116.94 116.27 2k0f h PHE 88 Ca 0.00 -0.47 -0.54 0.00 3.98 0.00 0.00 57.97 60.94 2k0f h PHE 88 Cb 0.80 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 2k0f h PHE 88 CO 0.00 1.35 1.00 0.34 -2.02 0.00 0.00 178.31 178.97 2k0f s ASP 89 N -7.09 6.71 0.22 0.41 -1.08 -1.22 -4.75 116.67 109.88 2k0f s ASP 89 Ca -0.12 2.24 -0.07 0.00 -0.52 0.00 0.00 52.55 54.08 2k0f s ASP 89 Cb 0.02 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 39.13 2k0f s ASP 89 CO 0.86 -0.86 1.76 0.50 0.52 0.00 0.00 175.17 177.96 2k0f h LYS 90 N 8.77 1.11 0.02 4.34 1.63 -1.89 -3.28 116.57 127.27 2k0f h LYS 90 Ca -0.39 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.18 2k0f h LYS 90 Cb 1.18 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2k0f h LYS 90 CO 0.94 0.94 -0.01 -0.44 -3.45 0.00 0.00 179.45 177.43 2k0f h ASP 91 N 1.07 -0.02 0.00 4.20 3.32 -1.93 -3.49 116.42 119.57 2k0f h ASP 91 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2k0f h ASP 91 Cb 0.29 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2k0f h ASP 91 CO -0.01 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 2k0f n GLY 92 N 1.76 0.69 0.07 2.75 0.00 -1.24 -5.06 105.19 104.17 2k0f n GLY 92 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.95 -3.49 115.58 110.68 2k0f h ASN 93 Ca 0.00 -0.58 0.00 0.00 0.07 0.00 0.00 56.30 55.79 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 0.91 0.00 0.61 0.07 0.00 0.00 177.43 179.02 2k0f n GLY 94 N 1.63 0.78 3.20 9.14 0.00 -1.26 -5.14 105.19 113.54 2k0f n GLY 94 Ca -0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 -0.95 -0.15 1.61 2.02 -1.26 -4.77 117.35 113.49 2k0f s TYR 95 Ca 0.00 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.05 2k0f s TYR 95 Cb 0.00 0.31 -0.05 0.00 -0.40 0.00 0.00 41.96 41.82 2k0f s TYR 95 CO 0.00 -0.61 0.15 0.42 -1.57 0.00 0.00 175.55 173.94 2k0f s ILE 96 N 2.65 5.44 0.00 2.71 1.01 -0.38 -4.88 121.20 127.75 2k0f s ILE 96 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2k0f s ILE 96 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2k0f s ILE 96 CO -0.15 0.53 0.00 -1.54 0.00 0.00 0.00 174.94 173.78 2k0f n SER 97 N 2.73 0.00 0.09 3.58 3.41 -1.26 0.15 113.62 122.32 2k0f n SER 97 Ca -0.18 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.23 2k0f n SER 97 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.28 0.13 -0.29 7.33 0.00 -1.95 -3.37 119.26 122.39 2k0f h ALA 98 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 54.91 53.90 2k0f h ALA 98 Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 98 CO 0.00 1.00 0.07 0.00 0.00 0.00 0.00 179.25 180.32 2k0f h ALA 99 N 0.31 0.31 0.22 0.00 0.00 -1.98 -1.42 119.26 116.70 2k0f h ALA 99 Ca -0.27 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 99 Cb 2.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2k0f h ALA 99 CO 0.19 -0.34 -0.34 0.93 0.00 0.00 0.00 179.25 179.70 2k0f h GLU 100 N 0.18 -0.56 -0.04 0.00 3.07 -1.86 -2.29 114.58 113.08 2k0f h GLU 100 Ca 0.13 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2k0f h GLU 100 Cb 0.13 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2k0f h GLU 100 CO -0.16 -0.37 -0.06 -0.07 -1.40 0.00 0.00 179.01 176.95 2k0f h LEU 101 N -0.58 -0.17 -0.93 1.33 3.38 -1.63 0.56 115.31 117.26 2k0f h LEU 101 Ca -0.02 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.26 2k0f h LEU 101 Cb 0.54 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 2k0f h LEU 101 CO -0.11 -0.08 0.29 0.03 0.09 0.00 0.00 178.44 178.66 2k0f h ARG 102 N -0.08 0.16 0.00 1.13 3.08 -1.28 -2.07 114.38 115.32 2k0f h ARG 102 Ca 0.04 -0.01 -0.41 0.00 0.07 0.00 0.00 59.98 59.67 2k0f h ARG 102 Cb 0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2k0f h ARG 102 CO -0.09 0.11 -2.25 1.58 -1.07 0.00 0.00 179.97 178.25 2k0f n HIS 103 N -5.25 0.25 0.05 3.04 -0.00 0.25 -3.97 115.22 109.60 2k0f n HIS 103 Ca 0.25 0.11 -0.20 0.00 0.46 0.00 0.00 57.72 58.34 2k0f n HIS 103 Cb 0.82 -1.03 -0.13 0.00 -0.12 0.00 0.00 29.99 29.53 2k0f n HIS 103 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 2k0f h VAL 104 N -0.94 1.41 -0.03 3.57 3.04 -0.02 -2.78 116.25 120.50 2k0f h VAL 104 Ca -0.62 -2.35 -0.20 0.00 -1.01 0.00 0.00 66.70 62.51 2k0f h VAL 104 Cb 1.57 2.83 -0.00 0.00 -2.01 0.00 0.00 31.29 33.67 2k0f h VAL 104 CO -0.36 0.69 -0.85 0.24 -1.01 0.00 0.00 177.57 176.28 2k0f h MET 105 N -0.06 0.36 0.00 4.17 2.07 -1.54 -1.50 114.93 118.42 2k0f h MET 105 Ca -0.14 -0.35 -0.06 0.00 -2.07 0.00 0.00 59.70 57.08 2k0f h MET 105 Cb 1.62 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 31.44 2k0f h MET 105 CO 0.17 1.02 -0.28 1.79 1.07 0.00 0.00 176.91 180.68 2k0f h THR 106 N 0.22 0.93 -0.26 2.22 1.35 -1.62 0.61 112.91 116.36 2k0f h THR 106 Ca -0.05 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.67 2k0f h THR 106 Cb 1.46 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 2k0f h THR 106 CO 0.14 0.27 -0.09 0.78 -0.25 0.00 0.00 175.52 176.38 2k0f h ASN 107 N 0.00 0.52 -0.00 5.36 2.35 -1.45 -3.38 115.58 118.98 2k0f h ASN 107 Ca -0.00 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2k0f h ASN 107 Cb 0.60 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2k0f h ASN 107 CO 0.04 0.79 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.54 2k0f h LEU 108 N 0.25 0.00 0.00 1.61 3.38 -0.51 -3.46 115.31 116.57 2k0f h LEU 108 Ca 0.06 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2k0f h LEU 108 Cb 0.58 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 108 CO 0.03 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2k0f n GLY 109 N 0.21 0.00 3.34 0.83 0.00 -0.06 -4.65 105.19 104.87 2k0f n GLY 109 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 3.42 -0.68 1.61 0.41 0.01 -4.97 118.70 118.49 2k0f s GLU 110 Ca 0.00 -0.61 -0.21 0.00 -0.41 0.00 0.00 54.97 53.74 2k0f s GLU 110 Cb 0.00 -2.97 0.09 0.00 -1.78 0.00 0.00 34.13 29.47 2k0f s GLU 110 CO 0.00 -0.10 0.91 0.15 -0.49 0.00 0.00 175.26 175.73 2k0f s LYS 111 N 1.24 3.17 0.54 1.61 1.02 -1.26 -2.85 119.74 123.21 2k0f s LYS 111 Ca 0.03 -1.14 -0.18 0.00 0.02 0.00 0.00 55.97 54.71 2k0f s LYS 111 Cb -0.14 -4.35 -0.06 0.00 -0.52 0.00 0.00 37.83 32.75 2k0f s LYS 111 CO -0.01 -1.73 1.04 -0.51 -0.92 0.00 0.00 175.35 173.22 2k0f s LEU 112 N 3.41 3.66 0.49 3.17 1.43 -1.26 -5.09 118.68 124.48 2k0f s LEU 112 Ca 0.21 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 2k0f s LEU 112 Cb -0.17 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 2k0f s LEU 112 CO 0.06 -0.94 0.19 0.42 0.23 0.00 0.00 176.35 176.31 2k0f s THR 113 N -2.28 1.69 0.29 5.49 -4.23 -1.26 -5.03 115.64 110.31 2k0f s THR 113 Ca 0.64 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 2k0f s THR 113 Cb -0.15 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.34 2k0f s THR 113 CO 0.29 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.57 2k0f h ASP 114 N 1.19 0.52 -0.53 3.99 3.32 -2.00 -2.65 116.42 120.28 2k0f h ASP 114 Ca -0.41 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 114 Cb 1.29 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2k0f h ASP 114 CO 0.68 0.71 0.34 -0.33 -1.72 0.00 0.00 179.24 178.91 2k0f h GLU 115 N 0.49 0.67 -0.62 3.56 3.07 -1.98 0.40 114.58 120.17 2k0f h GLU 115 Ca 0.08 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2k0f h GLU 115 Cb 0.56 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 2k0f h GLU 115 CO 0.04 0.44 0.39 0.93 -1.40 0.00 0.00 179.01 179.40 2k0f h GLU 116 N 0.69 0.74 -0.40 2.33 4.39 -1.92 -2.31 114.58 118.10 2k0f h GLU 116 Ca 0.20 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2k0f h GLU 116 Cb -0.05 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2k0f h GLU 116 CO -0.06 0.49 0.04 0.28 -1.16 0.00 0.00 179.01 178.60 2k0f h VAL 117 N 0.76 1.25 -0.44 3.13 2.07 -1.05 -2.29 116.25 119.68 2k0f h VAL 117 Ca 0.24 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2k0f h VAL 117 Cb -0.00 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2k0f h VAL 117 CO -0.09 0.32 0.18 -0.78 0.02 0.00 0.00 177.57 177.21 2k0f h ASP 118 N 0.53 0.61 -0.79 0.57 3.58 -0.92 0.47 116.42 120.47 2k0f h ASP 118 Ca 0.12 -0.17 0.14 0.00 0.42 0.00 0.00 57.03 57.54 2k0f h ASP 118 Cb 0.42 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 41.22 2k0f h ASP 118 CO 0.01 0.61 0.37 -0.08 -2.88 0.00 0.00 179.24 177.27 2k0f h GLU 119 N 0.57 0.53 -0.31 0.28 4.81 -1.35 -1.58 114.58 117.53 2k0f h GLU 119 Ca 0.15 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 119 Cb 0.19 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 119 CO -0.01 0.35 0.13 0.52 -0.73 0.00 0.00 179.01 179.27 2k0f h MET 120 N 0.54 0.46 -0.03 1.92 2.86 -0.75 -2.65 114.93 117.27 2k0f h MET 120 Ca 0.43 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 120 Cb 0.61 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 120 CO -0.37 0.45 -0.66 0.82 1.06 0.00 0.00 176.91 178.21 2k0f h ILE 121 N 0.36 1.44 -0.05 -1.22 2.04 -0.56 -2.84 117.51 116.66 2k0f h ILE 121 Ca 0.10 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.80 2k0f h ILE 121 Cb 0.16 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2k0f h ILE 121 CO -0.01 0.63 -0.03 -0.09 0.00 0.00 0.00 178.15 178.65 2k0f h ARG 122 N 0.09 -0.03 -0.13 2.37 2.43 -1.28 0.06 114.38 117.91 2k0f h ARG 122 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 122 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2k0f h ARG 122 CO 0.10 -0.02 -0.51 1.49 -1.51 0.00 0.00 179.97 179.52 2k0f h GLU 123 N -0.03 0.34 0.10 0.20 4.81 -1.50 -3.35 114.58 115.15 2k0f h GLU 123 Ca 0.03 -0.20 -0.36 0.00 -0.13 0.00 0.00 59.36 58.70 2k0f h GLU 123 Cb 0.07 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 123 CO -0.07 0.77 -2.04 0.00 -0.73 0.00 0.00 179.01 176.94 2k0f n ALA 124 N -2.48 1.02 -2.66 2.92 0.00 -1.05 -4.88 120.51 113.38 2k0f n ALA 124 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 2k0f n ALA 124 Cb 0.56 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -6.87 7.31 -0.22 0.00 2.15 -0.02 -4.86 116.67 114.17 2k0f s ASP 125 Ca -0.22 1.69 -0.18 0.00 0.43 0.00 0.00 52.55 54.27 2k0f s ASP 125 Cb 0.07 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.76 -0.32 0.11 -0.38 -0.17 0.00 0.00 175.17 175.17 2k0f n ILE 126 N 4.01 1.56 0.00 4.11 5.41 -1.26 -4.81 119.36 128.37 2k0f n ILE 126 Ca 0.07 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2k0f n ILE 126 Cb 0.50 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.29 0.00 0.00 4.38 5.68 -1.26 -5.02 116.55 116.04 2k0f n ASP 127 Ca -0.37 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 2k0f n ASP 127 Cb 0.76 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.87 0.00 0.01 6.12 0.00 -1.26 -5.01 105.19 106.92 2k0f n GLY 128 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.69 0.00 1.61 5.68 -1.26 -4.96 116.55 118.31 2k0f n ASP 129 Ca 0.00 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 2k0f n ASP 129 Cb 0.00 1.22 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.43 0.55 3.09 6.12 0.00 -1.26 -5.01 105.19 110.10 2k0f n GLY 130 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.11 2.68 -0.52 1.61 -0.21 -1.26 -4.76 119.66 117.09 2k0f s GLN 131 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.38 2k0f s GLN 131 Cb 0.00 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.72 2k0f s GLN 131 CO 0.00 -0.16 1.21 0.08 -2.12 0.00 0.00 175.29 174.30 2k0f s VAL 132 N 1.22 4.05 0.41 1.09 1.01 0.12 -4.89 120.40 123.43 2k0f s VAL 132 Ca 0.01 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 2k0f s VAL 132 Cb -0.14 -4.61 0.08 0.00 0.00 0.00 0.00 36.38 31.72 2k0f s VAL 132 CO -0.09 -1.15 0.57 -0.46 0.00 0.00 0.00 175.10 173.97 2k0f n ASN 133 N 8.36 0.72 -0.30 3.32 0.23 -1.26 -1.25 115.26 125.08 2k0f n ASN 133 Ca 0.11 -1.62 0.01 0.00 -0.53 0.00 0.00 54.58 52.55 2k0f n ASN 133 Cb 0.49 -0.37 0.21 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.55 1.07 -0.19 -2.53 3.20 -1.96 -2.28 116.97 113.73 2k0f h TYR 134 Ca -0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 2k0f h TYR 134 Cb 0.68 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2k0f h TYR 134 CO 0.00 0.63 0.04 0.93 -1.64 0.00 0.00 178.16 178.12 2k0f h GLU 135 N 1.12 0.30 0.00 1.82 4.39 -1.99 -0.43 114.58 119.79 2k0f h GLU 135 Ca 0.35 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 2k0f h GLU 135 Cb -0.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 135 CO -0.10 0.45 -0.32 0.93 -1.16 0.00 0.00 179.01 178.80 2k0f h GLU 136 N 0.11 0.00 -0.00 2.33 5.08 -1.86 -2.58 114.58 117.65 2k0f h GLU 136 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 136 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 136 CO 0.00 0.32 -0.69 0.35 -1.00 0.00 0.00 179.01 177.99 2k0f h PHE 137 N 0.00 0.70 -0.15 4.33 3.57 -1.22 -1.77 116.94 122.39 2k0f h PHE 137 Ca -0.00 -0.38 0.05 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 137 Cb 0.80 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 2k0f h PHE 137 CO 0.00 1.20 -0.15 0.28 -2.23 0.00 0.00 178.31 177.41 2k0f h VAL 138 N -0.01 0.58 0.00 1.41 2.07 -0.98 -2.54 116.25 116.79 2k0f h VAL 138 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 2k0f h VAL 138 Cb 1.39 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2k0f h VAL 138 CO 0.14 0.00 -0.36 1.56 0.02 0.00 0.00 177.57 178.92 2k0f h GLN 139 N -0.18 0.00 -0.50 1.57 4.20 -1.47 0.22 115.11 118.95 2k0f h GLN 139 Ca 0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2k0f h GLN 139 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2k0f h GLN 139 CO -0.26 0.36 -0.05 1.98 -0.67 0.00 0.00 178.83 180.19 2k0f h MET 140 N 0.00 0.88 0.08 1.46 4.05 -1.24 -3.37 114.93 116.80 2k0f h MET 140 Ca -0.00 -0.28 -0.18 0.00 -0.28 0.00 0.00 59.70 58.96 2k0f h MET 140 Cb 0.78 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2k0f h MET 140 CO 0.05 0.91 -0.87 0.52 0.23 0.00 0.00 176.91 177.75 2k0f h MET 141 N 0.80 0.17 0.00 0.39 2.86 -0.95 -3.51 114.93 114.70 2k0f h MET 141 Ca 0.14 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 141 Cb 0.55 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 141 CO 0.03 1.14 0.00 0.25 1.06 0.00 0.00 176.91 179.39