#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx h ILE 2 N 0.00 0.00 -4.23 4.25 1.08 -2.01 -3.44 117.51 113.16 2fkx h ILE 2 Ca 0.00 -0.96 -0.52 0.00 -0.39 0.00 0.00 64.86 63.00 2fkx h ILE 2 Cb 0.00 0.00 0.13 0.00 -3.07 0.00 0.00 36.82 33.88 2fkx h ILE 2 CO 0.00 0.00 0.35 -0.89 -0.69 0.00 0.00 178.15 176.92 2fkx s THR 3 N -2.10 2.98 0.26 -0.27 2.01 -1.26 -4.81 115.64 112.46 2fkx s THR 3 Ca -0.12 0.41 0.26 0.00 0.31 0.00 0.00 61.69 62.54 2fkx s THR 3 Cb 0.02 -2.88 0.26 0.00 0.01 0.00 0.00 72.50 69.91 2fkx s THR 3 CO 0.18 -0.33 1.94 0.07 -0.69 0.00 0.00 174.62 175.79 2fkx h LYS 4 N -0.52 0.00 0.00 4.92 2.10 -1.98 0.29 116.57 121.38 2fkx h LYS 4 Ca -0.46 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.06 2fkx h LYS 4 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 2fkx h LYS 4 CO 0.51 0.18 -0.63 0.93 -2.00 0.00 0.00 179.45 178.45 2fkx h GLU 5 N 0.00 0.00 -0.19 0.07 4.39 -1.98 0.25 114.58 117.12 2fkx h GLU 5 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2fkx h GLU 5 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2fkx h GLU 5 CO 0.02 0.63 -0.44 0.93 -1.16 0.00 0.00 179.01 178.99 2fkx h GLU 6 N 0.00 0.64 -0.28 2.33 5.08 -1.56 -1.75 114.58 119.04 2fkx h GLU 6 Ca -0.01 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2fkx h GLU 6 Cb 1.45 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2fkx h GLU 6 CO 0.08 1.05 0.05 -0.22 -1.00 0.00 0.00 179.01 178.97 2fkx h LYS 7 N 0.33 0.46 0.43 2.33 3.11 -0.36 -2.32 116.57 120.55 2fkx h LYS 7 Ca -0.00 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 2fkx h LYS 7 Cb 1.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2fkx h LYS 7 CO 0.10 0.57 -0.28 0.37 -2.81 0.00 0.00 179.45 177.39 2fkx h GLN 8 N 0.28 -0.67 -0.50 1.90 4.15 -0.38 0.13 115.11 120.03 2fkx h GLN 8 Ca 0.09 0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.43 2fkx h GLN 8 Cb 0.32 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 2fkx h GLN 8 CO 0.00 -0.44 -0.17 -0.22 -1.93 0.00 0.00 178.83 176.07 2fkx h LYS 9 N -0.69 0.98 -0.29 1.69 3.64 -1.38 0.39 116.57 120.92 2fkx h LYS 9 Ca -0.05 -0.39 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 2fkx h LYS 9 Cb 0.58 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2fkx h LYS 9 CO 0.03 1.07 -0.43 0.28 -2.27 0.00 0.00 179.45 178.13 2fkx h VAL 10 N 0.86 1.29 0.00 2.00 2.07 -1.35 -1.94 116.25 119.18 2fkx h VAL 10 Ca 0.12 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2fkx h VAL 10 Cb 0.74 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2fkx h VAL 10 CO 0.06 0.52 -0.07 0.40 0.02 0.00 0.00 177.57 178.50 2fkx h ILE 11 N 0.59 0.14 0.20 4.57 5.03 -0.89 0.27 117.51 127.42 2fkx h ILE 11 Ca 0.04 -1.06 -0.01 0.00 -0.12 0.00 0.00 64.86 63.71 2fkx h ILE 11 Cb 0.99 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.72 2fkx h ILE 11 CO 0.09 0.07 -0.10 -0.61 -0.68 0.00 0.00 178.15 176.93 2fkx h GLN 12 N 0.00 -0.26 0.06 2.37 4.15 -0.60 -2.94 115.11 117.88 2fkx h GLN 12 Ca -0.00 0.02 -0.36 0.00 0.77 0.00 0.00 58.65 59.07 2fkx h GLN 12 Cb 0.94 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 2fkx h GLN 12 CO 0.01 0.13 -2.15 -0.85 -1.93 0.00 0.00 178.83 174.04 2fkx n GLU 13 N -4.99 0.70 0.00 1.69 0.28 -0.76 -4.63 120.64 112.93 2fkx n GLU 13 Ca -0.08 0.20 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2fkx n GLU 13 Cb 0.26 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.49 2fkx n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2fkx n PHE 14 N -3.28 0.00 -1.88 -1.84 3.72 0.82 -4.70 117.46 110.30 2fkx n PHE 14 Ca -0.35 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.63 2fkx n PHE 14 Cb 1.04 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.54 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkx n ALA 15 N -2.14 4.83 0.71 4.37 0.00 -0.43 -4.80 120.51 123.06 2fkx n ALA 15 Ca 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.63 2fkx n ALA 15 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 2fkx n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2fkx n ARG 16 N 6.73 0.71 0.00 0.00 1.85 -1.11 -4.36 116.66 120.48 2fkx n ARG 16 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.36 2fkx n ARG 16 Cb 0.41 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 2fkx n ARG 16 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 2fkx n PHE 17 N 0.22 0.00 -1.53 2.89 1.16 -1.26 -5.02 117.46 113.92 2fkx n PHE 17 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 2fkx n PHE 17 Cb 0.20 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.01 2fkx n PHE 17 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2fkx n PRO 18 N -0.03 1.04 0.00 3.97 -0.02 -1.26 -0.92 135.00 137.78 2fkx n PRO 18 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2fkx n PRO 18 Cb 0.00 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fkx n GLY 19 N 6.17 3.18 1.38 -1.23 0.00 -1.26 -4.91 105.19 108.52 2fkx n GLY 19 Ca 0.41 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2fkx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fkx n ASP 20 N 0.00 4.07 0.01 1.61 8.00 -0.10 -4.16 116.55 125.98 2fkx n ASP 20 Ca 0.00 -2.27 0.13 0.00 0.71 0.00 0.00 54.79 53.36 2fkx n ASP 20 Cb 0.00 -0.51 0.39 0.00 -0.02 0.00 0.00 41.12 40.98 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2fkx n THR 21 N 1.14 0.08 -0.03 -3.53 5.66 -1.25 -2.83 114.28 113.52 2fkx n THR 21 Ca 0.23 -0.05 0.03 0.00 -3.05 0.00 0.00 64.05 61.21 2fkx n THR 21 Cb 0.73 -0.13 0.07 0.00 -1.55 0.00 0.00 70.33 69.45 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2fkx n GLY 22 N 1.47 2.11 3.79 1.09 0.00 -1.26 -4.84 105.19 107.55 2fkx n GLY 22 Ca 0.06 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2fkx n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fkx s SER 23 N -0.90 5.05 0.16 1.61 0.01 -1.13 -4.81 113.70 113.69 2fkx s SER 23 Ca 0.12 1.80 -0.17 0.00 1.31 0.00 0.00 55.95 59.01 2fkx s SER 23 Cb 0.07 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.85 2fkx s SER 23 CO 0.09 -1.66 1.68 0.74 0.41 0.00 0.00 173.24 174.49 2fkx h THR 24 N -0.55 0.65 -0.28 1.44 2.02 -1.96 0.02 112.91 114.24 2fkx h THR 24 Ca -0.45 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.79 2fkx h THR 24 Cb 1.23 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 2fkx h THR 24 CO 0.54 0.00 -0.17 -0.33 0.37 0.00 0.00 175.52 175.93 2fkx h GLU 25 N 0.01 -0.14 -0.45 6.66 3.07 -1.93 0.28 114.58 122.08 2fkx h GLU 25 Ca 0.17 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2fkx h GLU 25 Cb 0.26 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2fkx h GLU 25 CO -0.36 -0.09 0.01 0.28 -1.40 0.00 0.00 179.01 177.44 2fkx h VAL 26 N -0.14 1.23 -0.14 3.13 2.07 -1.74 -0.85 116.25 119.81 2fkx h VAL 26 Ca 0.15 -0.94 -0.21 0.00 0.82 0.00 0.00 66.70 66.52 2fkx h VAL 26 Cb 0.37 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2fkx h VAL 26 CO -0.37 0.33 -0.75 -0.61 0.02 0.00 0.00 177.57 176.19 2fkx h GLN 27 N 0.68 0.68 -0.05 1.57 4.15 -0.03 0.55 115.11 122.67 2fkx h GLN 27 Ca 0.14 -0.55 -0.11 0.00 0.77 0.00 0.00 58.65 58.90 2fkx h GLN 27 Cb 0.41 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2fkx h GLN 27 CO 0.02 1.17 -0.47 0.28 -1.93 0.00 0.00 178.83 177.89 2fkx h VAL 28 N 0.47 1.34 -0.48 2.39 2.07 -0.32 0.58 116.25 122.30 2fkx h VAL 28 Ca -0.04 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 2fkx h VAL 28 Cb 1.36 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2fkx h VAL 28 CO 0.15 0.48 0.04 0.00 0.02 0.00 0.00 177.57 178.27 2fkx h ALA 29 N 1.42 0.65 0.00 1.67 0.00 -0.89 0.44 119.26 122.54 2fkx h ALA 29 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2fkx h ALA 29 Cb 0.88 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2fkx h ALA 29 CO 0.07 0.41 -0.69 1.37 0.00 0.00 0.00 179.25 180.41 2fkx h LEU 30 N 0.69 0.00 -0.38 0.00 8.10 -0.51 -1.15 115.31 122.07 2fkx h LEU 30 Ca 0.14 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.97 2fkx h LEU 30 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 2fkx h LEU 30 CO 0.02 0.69 -0.40 0.17 -4.11 0.00 0.00 178.44 174.81 2fkx h LEU 31 N 0.00 1.01 -0.50 0.17 8.10 0.42 0.28 115.31 124.78 2fkx h LEU 31 Ca -0.01 -0.47 -0.17 0.00 0.11 0.00 0.00 57.88 57.35 2fkx h LEU 31 Cb 1.40 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 2fkx h LEU 31 CO 0.09 1.27 -0.65 0.74 -4.11 0.00 0.00 178.44 175.78 2fkx h THR 32 N 0.76 1.37 -0.19 0.15 2.02 -0.89 -1.77 112.91 114.35 2fkx h THR 32 Ca 0.06 -2.01 -0.10 0.00 0.77 0.00 0.00 66.41 65.13 2fkx h THR 32 Cb 0.99 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 2fkx h THR 32 CO 0.10 0.61 -0.30 0.25 0.37 0.00 0.00 175.52 176.54 2fkx h LEU 33 N 0.29 0.38 -0.16 2.58 5.85 -0.95 0.26 115.31 123.56 2fkx h LEU 33 Ca -0.01 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2fkx h LEU 33 Cb 1.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2fkx h LEU 33 CO 0.11 0.67 0.06 -0.09 -0.34 0.00 0.00 178.44 178.86 2fkx h ARG 34 N 0.33 0.23 -0.20 1.25 2.43 -0.18 0.20 114.38 118.44 2fkx h ARG 34 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2fkx h ARG 34 Cb 0.70 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2fkx h ARG 34 CO 0.05 0.31 0.12 0.82 -1.51 0.00 0.00 179.97 179.76 2fkx h ILE 35 N 0.10 1.09 -0.22 1.20 2.04 -0.97 0.06 117.51 120.81 2fkx h ILE 35 Ca 0.05 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2fkx h ILE 35 Cb 0.17 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2fkx h ILE 35 CO -0.00 0.09 -0.26 -1.13 0.00 0.00 0.00 178.15 176.84 2fkx h ASN 36 N 0.24 -0.83 0.99 1.72 -0.73 -0.32 0.76 115.58 117.40 2fkx h ASN 36 Ca 0.07 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.38 2fkx h ASN 36 Cb 0.04 0.38 0.00 0.00 0.27 0.00 0.00 38.32 39.01 2fkx h ASN 36 CO -0.01 -0.30 -0.07 0.54 -0.37 0.00 0.00 177.43 177.22 2fkx n ARG 37 N -5.39 0.04 0.05 6.67 1.74 0.04 -2.31 116.66 117.51 2fkx n ARG 37 Ca -0.01 0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 2fkx n ARG 37 Cb 0.30 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 2fkx n ARG 37 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2fkx h LEU 38 N 0.00 0.82 -0.72 0.55 5.85 0.02 -0.90 115.31 120.93 2fkx h LEU 38 Ca 0.00 -0.78 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 2fkx h LEU 38 Cb 0.53 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2fkx h LEU 38 CO 0.00 1.51 0.37 0.28 -0.34 0.00 0.00 178.44 180.25 2fkx h SER 39 N 0.23 0.92 0.58 1.25 0.02 -0.64 0.27 113.55 116.17 2fkx h SER 39 Ca -0.14 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 2fkx h SER 39 Cb 1.71 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2fkx h SER 39 CO 0.20 0.78 -0.32 -0.33 -1.14 0.00 0.00 176.83 176.01 2fkx h GLU 40 N 1.00 0.00 -0.07 3.45 4.39 -1.45 0.13 114.58 122.02 2fkx h GLU 40 Ca 0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2fkx h GLU 40 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2fkx h GLU 40 CO -0.04 0.32 -0.05 1.25 -1.16 0.00 0.00 179.01 179.34 2fkx h HIS 41 N 0.00 0.19 0.00 4.33 2.76 -0.22 -3.09 115.15 119.12 2fkx h HIS 41 Ca -0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2fkx h HIS 41 Cb 0.70 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2fkx h HIS 41 CO 0.00 0.56 0.00 -0.07 -1.30 0.00 0.00 177.93 177.12 2fkx h LEU 42 N -0.24 0.00 0.00 0.26 4.07 -0.09 0.45 115.31 119.76 2fkx h LEU 42 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2fkx h LEU 42 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2fkx h LEU 42 CO 0.01 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.66 2fkx n LYS 43 N -3.08 0.90 0.06 1.13 5.02 -0.00 -3.41 118.16 118.77 2fkx n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2fkx n LYS 43 Cb 0.29 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2fkx n VAL 44 N -0.71 0.34 -2.28 -0.18 0.31 -0.95 -4.95 118.33 109.92 2fkx n VAL 44 Ca 0.09 0.11 -0.34 0.00 -0.01 0.00 0.00 64.34 64.19 2fkx n VAL 44 Cb 0.04 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 2fkx n VAL 44 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2fkx s HIS 45 N -2.00 2.11 -1.15 3.52 3.76 0.15 -4.75 115.29 116.94 2fkx s HIS 45 Ca 0.00 0.01 0.29 0.00 -0.15 0.00 0.00 55.06 55.21 2fkx s HIS 45 Cb 0.00 -4.34 1.18 0.00 1.11 0.00 0.00 32.58 30.53 2fkx s HIS 45 CO 0.00 -1.87 1.87 0.36 -0.85 0.00 0.00 174.74 174.25 2fkx n LYS 46 N 8.91 0.15 0.00 1.40 2.85 -1.25 -1.63 118.16 128.59 2fkx n LYS 46 Ca 0.34 -0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.70 2fkx n LYS 46 Cb 0.49 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.58 2fkx n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2fkx n LYS 47 N -1.40 1.12 0.00 -1.58 2.85 -1.26 -4.99 118.16 112.90 2fkx n LYS 47 Ca 0.09 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 2fkx n LYS 47 Cb 0.31 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2fkx n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2fkx n ASP 48 N -0.23 0.00 0.00 -5.58 -0.08 -0.65 -3.96 116.55 106.05 2fkx n ASP 48 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2fkx n ASP 48 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 2fkx n ASP 48 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2fkx n HIS 49 N 0.00 0.00 -2.14 -0.67 -0.00 -1.26 -4.80 115.22 106.35 2fkx n HIS 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2fkx n HIS 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2fkx n HIS 49 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2fkx n HIS 50 N 0.00 0.00 -2.90 1.57 8.25 -1.25 -5.03 115.22 115.85 2fkx n HIS 50 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2fkx n HIS 50 Cb 0.00 -0.94 -0.04 0.00 1.12 0.00 0.00 29.99 30.13 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2fkx s SER 51 N -2.94 7.23 -0.18 0.41 1.04 -1.26 -4.92 113.70 113.08 2fkx s SER 51 Ca 0.00 1.47 0.16 0.00 0.48 0.00 0.00 55.95 58.06 2fkx s SER 51 Cb 0.00 -2.49 0.76 0.00 0.10 0.00 0.00 66.02 64.39 2fkx s SER 51 CO 0.00 -0.10 1.68 1.41 0.98 0.00 0.00 173.24 177.21 2fkx n HIS 52 N 3.34 1.75 -0.07 5.02 8.25 -1.26 -4.64 115.22 127.61 2fkx n HIS 52 Ca 0.01 -0.68 -0.07 0.00 -0.26 0.00 0.00 57.72 56.71 2fkx n HIS 52 Cb 0.51 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 2fkx n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2fkx h ARG 53 N 3.91 -0.16 -0.77 -0.41 3.08 -1.99 -3.31 114.38 114.73 2fkx h ARG 53 Ca 0.00 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 2fkx h ARG 53 Cb 1.71 0.04 -0.39 0.00 0.08 0.00 0.00 29.97 31.41 2fkx h ARG 53 CO 0.36 -0.11 -1.13 0.41 -1.07 0.00 0.00 179.97 178.43 2fkx n GLY 54 N -1.35 1.60 0.00 0.04 0.00 -1.26 -4.83 105.19 99.39 2fkx n GLY 54 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2fkx n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fkx n LEU 55 N -0.27 0.00 -0.31 0.99 4.77 -1.25 -4.74 117.00 116.18 2fkx n LEU 55 Ca 0.08 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.29 2fkx n LEU 55 Cb 0.82 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.44 2fkx n LEU 55 CO 0.19 -0.50 1.23 -0.07 -1.33 0.00 0.00 177.39 176.91 2fkx h LEU 56 N 0.00 0.39 -0.44 2.23 3.38 -1.98 -0.57 115.31 118.32 2fkx h LEU 56 Ca 0.00 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2fkx h LEU 56 Cb 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2fkx h LEU 56 CO 0.00 0.08 0.11 0.24 0.09 0.00 0.00 178.44 178.96 2fkx h MET 57 N 0.35 0.25 0.00 1.13 2.86 -1.92 0.36 114.93 117.95 2fkx h MET 57 Ca 0.58 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 58.04 2fkx h MET 57 Cb 1.56 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.14 2fkx h MET 57 CO -0.26 0.16 -0.87 1.98 1.06 0.00 0.00 176.91 178.99 2fkx h MET 58 N 0.25 0.00 -0.29 1.72 1.85 -1.45 -1.37 114.93 115.64 2fkx h MET 58 Ca 0.21 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.28 2fkx h MET 58 Cb 0.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 2fkx h MET 58 CO -0.26 0.65 0.10 0.28 -0.40 0.00 0.00 176.91 177.28 2fkx h VAL 59 N 0.00 1.19 -0.20 -5.77 2.07 -0.91 0.98 116.25 113.62 2fkx h VAL 59 Ca -0.04 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2fkx h VAL 59 Cb 1.58 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2fkx h VAL 59 CO 0.09 0.20 -0.28 1.23 0.02 0.00 0.00 177.57 178.83 2fkx h GLY 60 N 0.32 0.41 1.59 2.17 0.00 -0.31 -2.20 103.07 105.04 2fkx h GLY 60 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2fkx h GLY 60 CO -0.00 0.30 -0.07 -1.61 0.00 0.00 0.00 176.54 175.16 2fkx h GLN 61 N 0.33 0.50 -0.47 4.80 5.75 -0.77 -0.93 115.11 124.33 2fkx h GLN 61 Ca 0.05 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.32 2fkx h GLN 61 Cb 0.67 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 2fkx h GLN 61 CO 0.05 0.58 -0.09 -0.09 -2.65 0.00 0.00 178.83 176.63 2fkx h ARG 62 N 0.47 0.89 -0.29 1.69 2.43 -0.35 0.31 114.38 119.53 2fkx h ARG 62 Ca 0.09 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 2fkx h ARG 62 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2fkx h ARG 62 CO 0.02 0.98 -0.08 0.00 -1.51 0.00 0.00 179.97 179.38 2fkx h ARG 63 N 0.74 0.48 0.08 0.20 3.08 -0.75 0.48 114.38 118.69 2fkx h ARG 63 Ca 0.12 -0.12 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 2fkx h ARG 63 Cb 0.64 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.65 2fkx h ARG 63 CO 0.04 0.57 -1.16 0.00 -1.07 0.00 0.00 179.97 178.36 2fkx h ARG 64 N 0.45 0.57 -0.09 0.04 -0.00 -0.93 -3.21 114.38 111.21 2fkx h ARG 64 Ca 0.09 -0.72 -0.15 0.00 -0.50 0.00 0.00 59.98 58.70 2fkx h ARG 64 Cb 0.42 0.23 -0.01 0.00 0.00 0.00 0.00 29.97 30.61 2fkx h ARG 64 CO 0.02 1.31 -0.58 1.25 0.00 0.00 0.00 179.97 181.97 2fkx h LEU 65 N 0.27 0.33 -1.02 3.04 5.85 0.07 -1.44 115.31 122.41 2fkx h LEU 65 Ca -0.15 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 2fkx h LEU 65 Cb 1.82 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2fkx h LEU 65 CO 0.22 0.84 -0.48 0.17 -0.34 0.00 0.00 178.44 178.85 2fkx h LEU 66 N 0.22 0.00 -0.57 2.25 8.10 -0.16 0.38 115.31 125.53 2fkx h LEU 66 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 2fkx h LEU 66 Cb 1.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.29 2fkx h LEU 66 CO 0.09 0.48 -0.68 -0.09 -4.11 0.00 0.00 178.44 174.13 2fkx h ARG 67 N 0.00 0.20 -0.12 0.17 2.43 -1.48 -0.21 114.38 115.36 2fkx h ARG 67 Ca -0.00 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 2fkx h ARG 67 Cb 0.87 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2fkx h ARG 67 CO 0.06 0.80 -0.30 -0.92 -1.51 0.00 0.00 179.97 178.10 2fkx h TYR 68 N 0.14 0.52 -0.94 2.20 3.20 -0.63 -2.72 116.97 118.73 2fkx h TYR 68 Ca -0.02 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2fkx h TYR 68 Cb 1.21 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 2fkx h TYR 68 CO 0.02 0.91 0.62 1.25 -1.64 0.00 0.00 178.16 179.33 2fkx h LEU 69 N -0.02 1.07 -2.16 2.82 7.12 -0.22 -0.95 115.31 122.98 2fkx h LEU 69 Ca -0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2fkx h LEU 69 Cb 0.91 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2fkx h LEU 69 CO 0.06 0.77 -0.03 -0.61 -0.13 0.00 0.00 178.44 178.51 2fkx h GLN 70 N 1.26 0.00 0.07 1.25 4.15 -0.99 -3.05 115.11 117.81 2fkx h GLN 70 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 2fkx h GLN 70 Cb -0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2fkx h GLN 70 CO -0.08 0.03 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.73 2fkx h ARG 71 N 0.00 -0.09 0.00 1.69 2.43 -0.85 -2.79 114.38 114.76 2fkx h ARG 71 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2fkx h ARG 71 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2fkx h ARG 71 CO 0.00 0.45 0.00 0.39 -1.51 0.00 0.00 179.97 179.31 2fkx n GLU 72 N -4.79 0.32 -3.08 0.20 1.02 -1.05 -4.32 120.64 108.95 2fkx n GLU 72 Ca -0.07 0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2fkx n GLU 72 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fkx s ASP 73 N -2.50 -0.22 0.54 1.62 2.15 -1.16 -5.04 116.67 112.06 2fkx s ASP 73 Ca 0.20 0.00 0.29 0.00 0.43 0.00 0.00 52.55 53.47 2fkx s ASP 73 Cb 0.13 0.99 1.53 0.00 -0.30 0.00 0.00 42.92 45.27 2fkx s ASP 73 CO 0.29 -0.04 2.10 1.55 -0.17 0.00 0.00 175.17 178.90 2fkx h PRO 74 N 6.81 0.00 -0.43 4.34 0.13 -1.68 -1.93 132.00 139.24 2fkx h PRO 74 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 2fkx h PRO 74 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2fkx h PRO 74 CO -0.13 0.10 -0.22 1.49 -0.23 0.00 0.00 178.00 179.01 2fkx h GLU 75 N 0.00 0.88 -0.91 0.86 4.57 -1.93 -2.87 114.58 115.18 2fkx h GLU 75 Ca -0.00 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2fkx h GLU 75 Cb 0.29 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2fkx h GLU 75 CO 0.01 1.01 0.54 -0.09 -1.18 0.00 0.00 179.01 179.30 2fkx h ARG 76 N 0.76 1.24 0.11 1.92 9.65 -1.68 -2.52 114.38 123.85 2fkx h ARG 76 Ca 0.10 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2fkx h ARG 76 Cb 0.76 -0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 2fkx h ARG 76 CO 0.06 0.88 -0.30 -0.92 2.80 0.00 0.00 179.97 182.49 2fkx h TYR 77 N 1.26 -0.80 0.09 2.20 3.20 -1.35 0.72 116.97 122.29 2fkx h TYR 77 Ca 0.33 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.24 2fkx h TYR 77 Cb -0.04 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2fkx h TYR 77 CO 0.00 -0.40 -0.35 0.00 -1.64 0.00 0.00 178.16 175.78 2fkx h ARG 78 N -0.51 -0.54 0.00 1.82 3.08 -1.44 -1.23 114.38 115.57 2fkx h ARG 78 Ca 0.03 0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2fkx h ARG 78 Cb 0.54 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2fkx h ARG 78 CO -0.18 -0.36 -0.59 0.00 -1.07 0.00 0.00 179.97 177.77 2fkx h ALA 79 N 0.06 0.87 0.00 0.04 0.00 -1.32 -2.39 119.26 116.52 2fkx h ALA 79 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2fkx h ALA 79 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2fkx h ALA 79 CO -0.22 0.73 -0.46 1.25 0.00 0.00 0.00 179.25 180.56 2fkx h LEU 80 N 0.00 0.00 -0.09 0.00 5.85 -0.56 0.29 115.31 120.80 2fkx h LEU 80 Ca -0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2fkx h LEU 80 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2fkx h LEU 80 CO 0.08 0.46 -0.66 0.16 -0.34 0.00 0.00 178.44 178.13 2fkx h ILE 81 N 0.00 1.17 0.06 4.05 -0.00 -0.96 -1.78 117.51 120.05 2fkx h ILE 81 Ca -0.00 -2.57 -0.25 0.00 -0.00 0.00 0.00 64.86 62.03 2fkx h ILE 81 Cb 1.00 2.52 0.01 0.00 -0.00 0.00 0.00 36.82 40.36 2fkx h ILE 81 CO 0.06 0.65 -1.09 -0.33 -0.00 0.00 0.00 178.15 177.44 2fkx h GLU 82 N 0.00 0.41 -0.39 0.16 4.39 -1.12 0.70 114.58 118.73 2fkx h GLU 82 Ca -0.01 -0.52 -0.12 0.00 0.34 0.00 0.00 59.36 59.05 2fkx h GLU 82 Cb 1.47 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 2fkx h GLU 82 CO 0.09 1.19 -0.21 0.87 -1.16 0.00 0.00 179.01 179.79 2fkx h LYS 83 N 0.19 0.83 0.14 2.33 1.57 -0.27 -3.22 116.57 118.14 2fkx h LYS 83 Ca -0.12 -0.37 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 2fkx h LYS 83 Cb 1.76 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.06 2fkx h LYS 83 CO 0.19 1.01 -1.38 -0.07 -0.57 0.00 0.00 179.45 178.63 2fkx h LEU 84 N 0.64 0.46 -1.01 2.94 3.38 -1.43 -3.49 115.31 116.81 2fkx h LEU 84 Ca 0.09 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2fkx h LEU 84 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2fkx h LEU 84 CO 0.06 1.43 0.00 0.61 0.09 0.00 0.00 178.44 180.63 2fkx n GLY 85 N 1.60 0.75 0.05 0.83 0.00 -0.36 -5.01 105.19 103.06 2fkx n GLY 85 Ca -0.12 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2fkx n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fkx n ILE 86 N -0.50 0.29 0.52 -0.61 5.41 0.10 -3.18 119.36 121.38 2fkx n ILE 86 Ca 0.00 -0.22 0.12 0.00 1.00 0.00 0.00 62.75 63.65 2fkx n ILE 86 Cb 0.19 -0.09 0.46 0.00 -0.71 0.00 0.00 39.64 39.48 2fkx n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2fkx n ARG 87 N -2.00 0.21 0.00 0.38 5.12 -1.26 -5.11 116.66 114.00 2fkx n ARG 87 Ca 0.04 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2fkx n ARG 87 Cb 0.42 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11