#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx n ILE 2 N 0.00 0.00 0.00 4.25 2.08 -1.26 -4.90 119.36 119.54 2fkx n ILE 2 Ca 0.00 0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2fkx n ILE 2 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 2fkx n ILE 2 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2fkx n THR 3 N -2.99 0.00 -0.07 1.39 -1.04 -1.26 -4.65 114.28 105.65 2fkx n THR 3 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2fkx n THR 3 Cb 0.38 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.77 2fkx n THR 3 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2fkx h LYS 4 N 0.00 0.00 -0.00 -2.82 1.57 -2.00 -3.00 116.57 110.33 2fkx h LYS 4 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2fkx h LYS 4 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2fkx h LYS 4 CO 0.00 1.00 -0.06 -0.85 -0.57 0.00 0.00 179.45 178.97 2fkx n GLU 5 N -4.58 0.23 0.11 3.15 0.00 -1.26 -2.24 120.64 116.05 2fkx n GLU 5 Ca -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 57.16 57.02 2fkx n GLU 5 Cb 0.51 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.44 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2fkx h GLU 6 N 0.08 0.00 0.00 3.44 4.39 -1.91 0.01 114.58 120.59 2fkx h GLU 6 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2fkx h GLU 6 Cb 0.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2fkx h GLU 6 CO 0.00 0.49 -0.55 -0.22 -1.16 0.00 0.00 179.01 177.57 2fkx h LYS 7 N 0.00 0.37 -1.00 2.33 3.64 -1.30 -2.27 116.57 118.35 2fkx h LYS 7 Ca -0.04 -0.40 0.06 0.00 -1.27 0.00 0.00 60.65 59.00 2fkx h LYS 7 Cb 1.46 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.33 2fkx h LYS 7 CO 0.07 1.08 0.65 1.96 -2.27 0.00 0.00 179.45 180.93 2fkx h GLN 8 N -0.17 1.16 0.67 1.90 4.20 -1.39 -2.16 115.11 119.31 2fkx h GLN 8 Ca -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2fkx h GLN 8 Cb 1.27 -0.26 0.01 0.00 0.30 0.00 0.00 27.48 28.80 2fkx h GLN 8 CO 0.11 0.77 -0.32 -0.22 -0.67 0.00 0.00 178.83 178.50 2fkx h LYS 9 N 1.19 -0.86 -0.83 1.46 3.64 -0.90 -0.02 116.57 120.25 2fkx h LYS 9 Ca 0.42 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.89 2fkx h LYS 9 Cb 0.12 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2fkx h LYS 9 CO -0.16 -0.57 0.53 0.28 -2.27 0.00 0.00 179.45 177.26 2fkx h VAL 10 N -0.90 1.12 -0.27 2.00 2.07 -1.18 0.41 116.25 119.50 2fkx h VAL 10 Ca -0.09 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 66.89 2fkx h VAL 10 Cb 0.69 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2fkx h VAL 10 CO 0.15 0.19 -0.54 0.40 0.02 0.00 0.00 177.57 177.79 2fkx h ILE 11 N 1.03 1.28 0.00 4.57 5.03 -1.38 -2.28 117.51 125.76 2fkx h ILE 11 Ca 0.33 -1.73 -0.11 0.00 -0.12 0.00 0.00 64.86 63.23 2fkx h ILE 11 Cb 0.02 1.68 -0.02 0.00 -3.03 0.00 0.00 36.82 35.47 2fkx h ILE 11 CO -0.12 0.56 -1.28 0.00 -0.68 0.00 0.00 178.15 176.63 2fkx n GLN 12 N -4.04 0.62 0.01 2.37 6.02 -0.03 -1.52 117.38 120.81 2fkx n GLN 12 Ca -0.05 0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 56.93 2fkx n GLN 12 Cb 0.62 -1.81 -0.14 0.00 1.02 0.00 0.00 30.24 29.93 2fkx n GLN 12 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2fkx h GLU 13 N 0.00 0.24 0.00 -1.09 4.57 -0.27 -3.34 114.58 114.68 2fkx h GLU 13 Ca -0.11 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2fkx h GLU 13 Cb 1.39 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2fkx h GLU 13 CO 0.03 1.19 -0.00 0.74 -1.18 0.00 0.00 179.01 179.79 2fkx h PHE 14 N -0.43 0.00 0.00 0.92 -1.00 -1.57 -3.43 116.94 111.44 2fkx h PHE 14 Ca -0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2fkx h PHE 14 Cb 1.63 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.19 2fkx h PHE 14 CO 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.87 2fkx n ALA 15 N -2.10 -0.21 -2.39 2.45 0.00 -1.07 -4.85 120.51 112.33 2fkx n ALA 15 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2fkx n ALA 15 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2fkx n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fkx n ARG 16 N -1.54 -1.69 -4.04 0.00 0.63 -0.58 -4.96 116.66 104.49 2fkx n ARG 16 Ca 0.00 0.81 -0.25 0.00 -0.92 0.00 0.00 57.85 57.48 2fkx n ARG 16 Cb 0.00 -5.25 -0.05 0.00 0.45 0.00 0.00 32.46 27.61 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2fkx s PHE 17 N -2.87 2.31 0.51 -0.14 0.08 -1.26 -4.95 117.98 111.66 2fkx s PHE 17 Ca 0.03 -0.67 0.33 0.00 0.12 0.00 0.00 56.93 56.74 2fkx s PHE 17 Cb -0.01 -1.95 1.81 0.00 -0.57 0.00 0.00 43.02 42.29 2fkx s PHE 17 CO 0.04 -0.02 2.20 -1.35 -0.10 0.00 0.00 175.22 175.99 2fkx h PRO 18 N 1.19 0.00 -1.00 0.24 0.11 -2.01 -1.62 132.00 128.91 2fkx h PRO 18 Ca -0.41 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.09 2fkx h PRO 18 Cb 1.27 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 32.00 2fkx h PRO 18 CO 0.65 0.04 -0.21 0.41 -0.21 0.00 0.00 178.00 178.69 2fkx n GLY 19 N -0.93 6.15 0.05 -0.55 0.00 -1.26 -4.80 105.19 103.86 2fkx n GLY 19 Ca -0.02 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.43 2fkx n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fkx n ASP 20 N -0.73 0.03 0.02 1.61 5.75 -0.61 -1.70 116.55 120.92 2fkx n ASP 20 Ca 0.49 -0.50 0.11 0.00 -0.01 0.00 0.00 54.79 54.88 2fkx n ASP 20 Cb 0.79 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.75 2fkx n ASP 20 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fkx n THR 21 N -0.41 0.17 -2.00 2.12 -2.24 -1.26 -4.58 114.28 106.09 2fkx n THR 21 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2fkx n THR 21 Cb 0.01 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fkx n GLY 22 N 1.25 0.64 3.76 3.38 0.00 -0.69 -4.98 105.19 108.55 2fkx n GLY 22 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.67 5.68 0.29 1.61 0.01 -1.17 -4.86 113.70 114.58 2fkx s SER 23 Ca 0.00 2.63 0.03 0.00 1.31 0.00 0.00 55.95 59.92 2fkx s SER 23 Cb 0.00 -2.63 0.73 0.00 0.21 0.00 0.00 66.02 64.33 2fkx s SER 23 CO 0.00 -1.28 1.65 0.74 0.41 0.00 0.00 173.24 174.75 2fkx h THR 24 N 1.73 0.31 -0.69 1.44 2.02 -1.99 -0.64 112.91 115.10 2fkx h THR 24 Ca -0.50 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 66.66 2fkx h THR 24 Cb 1.28 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2fkx h THR 24 CO 0.59 0.04 0.40 -0.33 0.37 0.00 0.00 175.52 176.59 2fkx h GLU 25 N 0.21 0.72 -0.78 6.66 5.08 -1.91 -1.90 114.58 122.65 2fkx h GLU 25 Ca 0.56 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.84 2fkx h GLU 25 Cb 1.14 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2fkx h GLU 25 CO -0.66 0.48 0.34 0.28 -1.00 0.00 0.00 179.01 178.45 2fkx h VAL 26 N 0.74 1.26 0.00 3.13 2.07 -1.42 0.56 116.25 122.58 2fkx h VAL 26 Ca 0.30 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2fkx h VAL 26 Cb 0.15 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2fkx h VAL 26 CO -0.17 0.32 -0.20 0.06 0.02 0.00 0.00 177.57 177.60 2fkx h GLN 27 N 1.12 0.00 0.00 1.57 3.07 -1.32 -0.07 115.11 119.47 2fkx h GLN 27 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.81 2fkx h GLN 27 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 2fkx h GLN 27 CO -0.03 0.20 -0.91 0.28 0.09 0.00 0.00 178.83 178.46 2fkx h VAL 28 N 0.00 1.58 -0.33 1.86 2.07 -1.05 -0.89 116.25 119.50 2fkx h VAL 28 Ca -0.00 -3.20 -0.05 0.00 0.82 0.00 0.00 66.70 64.27 2fkx h VAL 28 Cb 0.95 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2fkx h VAL 28 CO 0.03 0.89 0.01 0.00 0.02 0.00 0.00 177.57 178.52 2fkx h ALA 29 N 1.09 0.44 0.00 1.67 0.00 -0.30 0.95 119.26 123.11 2fkx h ALA 29 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2fkx h ALA 29 Cb 1.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2fkx h ALA 29 CO 0.12 0.19 -0.43 1.37 0.00 0.00 0.00 179.25 180.50 2fkx h LEU 30 N 0.38 0.00 -0.36 0.00 8.10 -1.02 -0.60 115.31 121.82 2fkx h LEU 30 Ca 0.09 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.91 2fkx h LEU 30 Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 2fkx h LEU 30 CO 0.01 0.43 -0.51 0.17 -4.11 0.00 0.00 178.44 174.43 2fkx h LEU 31 N 0.00 0.92 -1.02 0.17 8.10 -0.82 -1.04 115.31 121.62 2fkx h LEU 31 Ca -0.00 -0.48 -0.07 0.00 0.11 0.00 0.00 57.88 57.44 2fkx h LEU 31 Cb 0.95 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 2fkx h LEU 31 CO 0.06 1.26 -0.31 0.74 -4.11 0.00 0.00 178.44 176.08 2fkx h THR 32 N 0.65 0.76 0.14 0.15 2.02 -0.55 -2.18 112.91 113.90 2fkx h THR 32 Ca 0.02 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 2fkx h THR 32 Cb 1.10 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2fkx h THR 32 CO 0.11 0.31 -0.07 0.25 0.37 0.00 0.00 175.52 176.49 2fkx h LEU 33 N 0.00 -0.16 -2.29 2.58 5.85 -0.75 0.25 115.31 120.78 2fkx h LEU 33 Ca -0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2fkx h LEU 33 Cb 0.83 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2fkx h LEU 33 CO 0.04 0.33 -0.03 0.08 -0.34 0.00 0.00 178.44 178.51 2fkx h ARG 34 N -0.71 0.00 0.10 1.25 0.11 -1.10 -2.20 114.38 111.82 2fkx h ARG 34 Ca -0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2fkx h ARG 34 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2fkx h ARG 34 CO 0.03 0.03 -0.05 0.82 0.10 0.00 0.00 179.97 180.91 2fkx h ILE 35 N 0.00 0.00 -6.44 0.08 2.04 -1.34 -1.41 117.51 110.43 2fkx h ILE 35 Ca -0.00 -0.43 -0.34 0.00 1.00 0.00 0.00 64.86 65.09 2fkx h ILE 35 Cb 0.21 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2fkx h ILE 35 CO 0.00 0.00 -0.69 -3.20 0.00 0.00 0.00 178.15 174.26 2fkx n ASN 36 N -3.56 -2.89 -3.49 1.72 4.05 0.86 -1.32 115.26 110.63 2fkx n ASN 36 Ca -0.02 -0.69 -0.30 0.00 0.45 0.00 0.00 54.58 54.02 2fkx n ASN 36 Cb 0.05 -1.00 0.02 0.00 1.23 0.00 0.00 39.78 40.08 2fkx n ASN 36 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2fkx n ARG 37 N -2.39 -1.85 -0.14 1.20 5.12 -1.26 -1.69 116.66 115.64 2fkx n ARG 37 Ca -0.17 1.33 0.00 0.00 -1.93 0.00 0.00 57.85 57.08 2fkx n ARG 37 Cb 0.42 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 2fkx n ARG 37 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2fkx n LEU 38 N -0.92 0.00 -0.10 0.55 -0.00 -0.43 -4.49 117.00 111.61 2fkx n LEU 38 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.71 2fkx n LEU 38 Cb 0.66 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.00 2fkx n LEU 38 CO 0.57 0.00 -0.65 -0.24 -0.00 0.00 0.00 177.39 177.07 2fkx n SER 39 N 0.07 1.87 0.00 1.45 2.88 -0.68 -2.23 113.62 116.98 2fkx n SER 39 Ca 0.00 0.46 0.10 0.00 -1.33 0.00 0.00 58.87 58.10 2fkx n SER 39 Cb 0.00 -0.90 0.54 0.00 -0.75 0.00 0.00 64.21 63.10 2fkx n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2fkx n GLU 40 N -4.45 0.35 -0.06 -1.46 -0.58 -0.99 -1.72 120.64 111.73 2fkx n GLU 40 Ca -0.28 0.08 -0.04 0.00 -0.42 0.00 0.00 57.16 56.50 2fkx n GLU 40 Cb 0.60 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 2fkx n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2fkx h HIS 41 N 0.00 0.00 0.00 -0.32 2.76 -1.19 -3.37 115.15 113.03 2fkx h HIS 41 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2fkx h HIS 41 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2fkx h HIS 41 CO 0.00 0.21 0.00 1.28 -1.30 0.00 0.00 177.93 178.12 2fkx n LEU 42 N -4.70 0.00 -0.43 0.26 4.77 -0.95 0.74 117.00 116.69 2fkx n LEU 42 Ca -0.05 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 2fkx n LEU 42 Cb 0.17 -0.43 0.55 0.00 -2.33 0.00 0.00 43.42 41.37 2fkx n LEU 42 CO 0.08 -0.19 0.88 0.29 -1.33 0.00 0.00 177.39 177.12 2fkx n LYS 43 N -1.43 1.59 0.00 3.23 5.02 -0.70 -3.93 118.16 121.94 2fkx n LYS 43 Ca 0.05 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 2fkx n LYS 43 Cb 0.17 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.06 0.00 -2.56 -0.18 0.31 -0.54 -4.89 118.33 110.52 2fkx n VAL 44 Ca 0.19 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.11 2fkx n VAL 44 Cb 0.32 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.19 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 -1.95 2.50 -0.27 3.52 3.76 0.23 -4.89 115.29 118.18 2fkx s HIS 45 Ca 0.00 -0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 2fkx s HIS 45 Cb 0.00 -4.68 0.09 0.00 1.11 0.00 0.00 32.58 29.10 2fkx s HIS 45 CO 0.00 -1.96 0.10 -1.59 -0.85 0.00 0.00 174.74 170.44 2fkx s LYS 46 N 5.07 0.47 0.00 1.40 -2.85 -1.26 -4.40 119.74 118.17 2fkx s LYS 46 Ca 0.44 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 2fkx s LYS 46 Cb -0.01 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 2fkx s LYS 46 CO -0.06 -0.91 0.00 1.63 0.10 0.00 0.00 175.35 176.11 2fkx n LYS 47 N 5.06 0.00 -3.80 1.78 4.76 -1.26 -4.96 118.16 119.74 2fkx n LYS 47 Ca -0.05 0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2fkx n LYS 47 Cb 0.43 -2.60 -0.12 0.00 -1.84 0.00 0.00 35.03 30.90 2fkx n LYS 47 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2fkx s ASP 48 N -2.09 3.97 -0.09 4.39 -1.08 -1.26 -4.89 116.67 115.62 2fkx s ASP 48 Ca 0.00 -3.29 0.13 0.00 -0.52 0.00 0.00 52.55 48.87 2fkx s ASP 48 Cb 0.00 -1.33 0.36 0.00 -1.46 0.00 0.00 42.92 40.49 2fkx s ASP 48 CO 0.00 -0.17 1.28 1.41 0.52 0.00 0.00 175.17 178.21 2fkx n HIS 49 N 2.69 0.55 0.93 -5.34 8.25 -1.26 -4.40 115.22 116.64 2fkx n HIS 49 Ca 0.16 -0.71 0.04 0.00 -0.26 0.00 0.00 57.72 56.95 2fkx n HIS 49 Cb 0.36 -0.16 0.13 0.00 1.12 0.00 0.00 29.99 31.44 2fkx n HIS 49 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fkx n HIS 50 N -0.24 0.47 -4.41 4.41 -0.00 -1.26 -4.80 115.22 109.38 2fkx n HIS 50 Ca 0.15 -0.21 -0.24 0.00 -0.00 0.00 0.00 57.72 57.42 2fkx n HIS 50 Cb 0.62 -0.05 -0.09 0.00 -0.00 0.00 0.00 29.99 30.47 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2fkx s SER 51 N -0.86 3.95 -0.18 0.26 1.04 -1.26 -5.05 113.70 111.59 2fkx s SER 51 Ca 0.19 -0.95 0.15 0.00 0.48 0.00 0.00 55.95 55.82 2fkx s SER 51 Cb 0.11 -0.48 0.35 0.00 0.10 0.00 0.00 66.02 66.10 2fkx s SER 51 CO 0.12 -0.05 1.24 0.00 0.98 0.00 0.00 173.24 175.53 2fkx n HIS 52 N -0.77 -0.38 0.01 5.02 1.44 -1.26 -4.93 115.22 114.35 2fkx n HIS 52 Ca -0.05 -1.34 0.03 0.00 -2.01 0.00 0.00 57.72 54.34 2fkx n HIS 52 Cb 0.61 0.56 0.39 0.00 0.12 0.00 0.00 29.99 31.67 2fkx n HIS 52 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fkx h ARG 53 N 1.20 0.52 0.00 -1.40 3.08 -1.97 -0.56 114.38 115.25 2fkx h ARG 53 Ca -0.36 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2fkx h ARG 53 Cb 1.42 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2fkx h ARG 53 CO -0.07 0.41 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 2fkx n GLY 54 N -1.30 -1.35 0.00 0.04 0.00 -1.26 -2.84 105.19 98.48 2fkx n GLY 54 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.76 0.00 0.15 0.99 4.32 -0.22 -4.69 117.00 115.78 2fkx n LEU 55 Ca 0.05 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.22 2fkx n LEU 55 Cb 0.29 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 42.79 2fkx n LEU 55 CO 0.22 -0.22 1.16 -0.07 -1.22 0.00 0.00 177.39 177.27 2fkx h LEU 56 N 0.00 0.00 -0.01 2.23 3.38 -1.86 -2.49 115.31 116.55 2fkx h LEU 56 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2fkx h LEU 56 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2fkx h LEU 56 CO 0.00 0.00 -0.30 -0.03 0.09 0.00 0.00 178.44 178.20 2fkx h MET 57 N 0.00 -0.36 0.00 1.13 4.05 -1.82 0.60 114.93 118.53 2fkx h MET 57 Ca 0.16 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 2fkx h MET 57 Cb 1.18 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 2fkx h MET 57 CO -0.00 -0.24 -1.06 1.98 0.23 0.00 0.00 176.91 177.82 2fkx h MET 58 N -0.37 0.00 -0.51 0.39 1.85 -1.35 -2.06 114.93 112.87 2fkx h MET 58 Ca 0.01 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 2fkx h MET 58 Cb 0.40 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.41 2fkx h MET 58 CO -0.21 0.21 -0.01 0.28 -0.40 0.00 0.00 176.91 176.78 2fkx h VAL 59 N 0.00 1.26 -0.35 -5.77 2.07 -1.43 0.50 116.25 112.54 2fkx h VAL 59 Ca -0.08 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.20 2fkx h VAL 59 Cb 1.34 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2fkx h VAL 59 CO 0.03 0.39 -0.33 1.23 0.02 0.00 0.00 177.57 178.91 2fkx h GLY 60 N 0.78 0.83 0.99 2.17 0.00 0.15 -2.46 103.07 105.54 2fkx h GLY 60 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.70 2fkx h GLY 60 CO 0.03 0.72 0.54 -1.61 0.00 0.00 0.00 176.54 176.22 2fkx h GLN 61 N 0.65 1.07 -0.31 4.80 5.75 -1.00 -1.26 115.11 124.81 2fkx h GLN 61 Ca 0.07 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2fkx h GLN 61 Cb 0.86 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2fkx h GLN 61 CO 0.08 0.71 -0.45 0.07 -2.65 0.00 0.00 178.83 176.59 2fkx h ARG 62 N 1.11 0.80 0.00 1.69 0.11 -0.77 0.23 114.38 117.55 2fkx h ARG 62 Ca 0.31 -0.45 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2fkx h ARG 62 Cb -0.11 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.00 2fkx h ARG 62 CO -0.07 1.08 0.00 2.89 0.10 0.00 0.00 179.97 183.97 2fkx n ARG 63 N -4.02 0.10 -0.04 0.08 1.85 -0.94 -1.48 116.66 112.21 2fkx n ARG 63 Ca -0.03 0.20 -0.14 0.00 -1.00 0.00 0.00 57.85 56.89 2fkx n ARG 63 Cb 0.57 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 30.19 2fkx n ARG 63 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2fkx n ARG 64 N -1.83 0.68 -0.18 2.89 0.63 -0.51 -3.98 116.66 114.36 2fkx n ARG 64 Ca 0.05 0.21 -0.04 0.00 -0.92 0.00 0.00 57.85 57.15 2fkx n ARG 64 Cb 0.30 -1.69 0.15 0.00 0.45 0.00 0.00 32.46 31.66 2fkx n ARG 64 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2fkx h LEU 65 N 0.02 0.88 -1.53 6.15 3.38 0.03 -1.10 115.31 123.15 2fkx h LEU 65 Ca -0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 2fkx h LEU 65 Cb 2.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2fkx h LEU 65 CO 0.05 0.84 -0.11 0.17 0.09 0.00 0.00 178.44 179.49 2fkx h LEU 66 N 0.91 0.00 -0.03 1.67 8.10 -1.44 0.96 115.31 125.48 2fkx h LEU 66 Ca 0.20 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 58.00 2fkx h LEU 66 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.49 2fkx h LEU 66 CO -0.00 0.11 -0.89 -0.09 -4.11 0.00 0.00 178.44 173.45 2fkx h ARG 67 N 0.00 0.00 -0.12 0.17 2.43 -1.38 0.10 114.38 115.58 2fkx h ARG 67 Ca -0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2fkx h ARG 67 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2fkx h ARG 67 CO 0.01 0.89 -0.73 1.88 -1.51 0.00 0.00 179.97 180.52 2fkx h TYR 68 N 0.00 0.78 -0.17 2.20 0.05 -0.30 -2.72 116.97 116.80 2fkx h TYR 68 Ca -0.01 -0.34 -0.08 0.00 0.05 0.00 0.00 58.73 58.36 2fkx h TYR 68 Cb 1.67 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 39.28 2fkx h TYR 68 CO 0.00 1.12 -0.23 1.25 -1.05 0.00 0.00 178.16 179.25 2fkx h LEU 69 N 0.40 0.29 -1.01 3.88 5.85 -0.76 -2.03 115.31 121.94 2fkx h LEU 69 Ca -0.03 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2fkx h LEU 69 Cb 1.32 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2fkx h LEU 69 CO 0.14 0.54 0.65 -0.61 -0.34 0.00 0.00 178.44 178.81 2fkx h GLN 70 N 0.27 1.13 0.00 1.25 4.15 -0.73 0.24 115.11 121.42 2fkx h GLN 70 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2fkx h GLN 70 Cb 0.56 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2fkx h GLN 70 CO 0.04 0.75 0.00 0.54 -1.93 0.00 0.00 178.83 178.23 2fkx n ARG 71 N -4.51 0.19 0.00 1.69 5.12 -0.81 -2.76 116.66 115.58 2fkx n ARG 71 Ca 0.16 0.25 0.04 0.00 -1.93 0.00 0.00 57.85 56.36 2fkx n ARG 71 Cb 0.20 -1.76 -0.11 0.00 -1.16 0.00 0.00 32.46 29.63 2fkx n ARG 71 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2fkx n GLU 72 N -2.09 0.65 -3.18 5.56 2.13 0.20 -4.92 120.64 118.99 2fkx n GLU 72 Ca 0.05 0.02 0.05 0.00 0.66 0.00 0.00 57.16 57.93 2fkx n GLU 72 Cb 0.34 -1.66 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2fkx s ASP 73 N -5.23 -0.20 0.56 4.31 -1.08 0.61 -5.04 116.67 110.60 2fkx s ASP 73 Ca -0.06 0.18 0.34 0.00 -0.52 0.00 0.00 52.55 52.49 2fkx s ASP 73 Cb 0.10 1.19 1.49 0.00 -1.46 0.00 0.00 42.92 44.24 2fkx s ASP 73 CO 0.85 -0.04 2.04 1.55 0.52 0.00 0.00 175.17 180.08 2fkx h PRO 74 N 7.62 0.00 0.11 4.34 0.13 -1.74 -2.00 132.00 140.47 2fkx h PRO 74 Ca -0.12 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.72 2fkx h PRO 74 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2fkx h PRO 74 CO -0.08 0.04 -1.41 0.93 -0.23 0.00 0.00 178.00 177.25 2fkx h GLU 75 N 0.00 0.24 0.00 0.86 4.39 -1.92 -3.18 114.58 114.97 2fkx h GLU 75 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2fkx h GLU 75 Cb 0.44 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2fkx h GLU 75 CO 0.00 1.13 -0.09 0.54 -1.16 0.00 0.00 179.01 179.43 2fkx n ARG 76 N -3.47 0.26 0.41 2.33 1.74 -1.10 -1.40 116.66 115.43 2fkx n ARG 76 Ca -0.13 0.19 -0.19 0.00 -0.77 0.00 0.00 57.85 56.95 2fkx n ARG 76 Cb 1.03 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 2fkx n ARG 76 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2fkx h TYR 77 N 0.00 -1.32 0.00 -1.55 3.20 -1.35 0.46 116.97 116.41 2fkx h TYR 77 Ca 0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2fkx h TYR 77 Cb 0.74 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2fkx h TYR 77 CO 0.00 -0.72 -0.23 0.07 -1.64 0.00 0.00 178.16 175.64 2fkx h ARG 78 N -1.17 0.00 0.02 1.82 0.11 -1.57 -2.11 114.38 111.48 2fkx h ARG 78 Ca -0.10 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.74 2fkx h ARG 78 Cb 0.95 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.00 2fkx h ARG 78 CO 0.08 0.23 -1.21 0.00 0.10 0.00 0.00 179.97 179.18 2fkx h ALA 79 N 1.77 0.40 0.00 0.08 0.00 -0.94 -2.04 119.26 118.53 2fkx h ALA 79 Ca -0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 54.91 53.75 2fkx h ALA 79 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2fkx h ALA 79 CO 0.03 1.28 -0.58 1.25 0.00 0.00 0.00 179.25 181.24 2fkx h LEU 80 N 0.01 0.00 -0.46 0.00 5.85 0.25 0.35 115.31 121.31 2fkx h LEU 80 Ca -0.10 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 2fkx h LEU 80 Cb 1.86 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 2fkx h LEU 80 CO 0.13 0.58 -0.59 0.16 -0.34 0.00 0.00 178.44 178.38 2fkx h ILE 81 N 0.00 1.16 0.04 4.05 -0.00 -1.38 0.95 117.51 122.33 2fkx h ILE 81 Ca -0.01 -2.22 -0.23 0.00 -0.00 0.00 0.00 64.86 62.41 2fkx h ILE 81 Cb 1.07 2.30 -0.01 0.00 -0.00 0.00 0.00 36.82 40.18 2fkx h ILE 81 CO 0.07 0.57 -1.02 -0.08 -0.00 0.00 0.00 178.15 177.70 2fkx h GLU 82 N 0.00 0.17 -0.08 0.16 4.81 -1.02 0.36 114.58 118.98 2fkx h GLU 82 Ca -0.01 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2fkx h GLU 82 Cb 1.25 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.72 2fkx h GLU 82 CO 0.08 1.05 -0.47 0.87 -0.73 0.00 0.00 179.01 179.81 2fkx h LYS 83 N 0.07 0.46 0.00 1.92 1.57 0.05 -3.26 116.57 117.39 2fkx h LYS 83 Ca -0.06 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 2fkx h LYS 83 Cb 1.72 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 2fkx h LYS 83 CO 0.16 1.02 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.51 2fkx h LEU 84 N 0.03 0.00 -0.61 2.94 3.38 -0.90 -3.47 115.31 116.67 2fkx h LEU 84 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2fkx h LEU 84 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2fkx h LEU 84 CO 0.10 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2fkx n GLY 85 N 0.05 0.69 0.73 0.83 0.00 -0.67 -4.98 105.19 101.85 2fkx n GLY 85 Ca -0.01 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.64 0.25 -0.14 -0.61 2.08 0.12 -4.23 119.36 116.18 2fkx n ILE 86 Ca 0.00 -0.45 0.27 0.00 0.56 0.00 0.00 62.75 63.13 2fkx n ILE 86 Cb 0.19 0.62 0.72 0.00 -0.75 0.00 0.00 39.64 40.43 2fkx n ILE 86 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2fkx h ARG 87 N 2.98 0.00 0.00 0.38 2.47 -1.92 -3.49 114.38 114.80 2fkx h ARG 87 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2fkx h ARG 87 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2fkx h ARG 87 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94