#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s ILE 1 N 0.00 1.89 0.18 1.12 1.09 -1.26 -5.11 121.20 119.11 1kfy s ILE 1 Ca 0.00 -0.87 -0.30 0.00 -1.10 0.00 0.00 60.65 58.38 1kfy s ILE 1 Cb 0.00 -1.70 -0.08 0.00 -1.06 0.00 0.00 42.46 39.62 1kfy s ILE 1 CO 0.00 0.52 1.20 0.54 -0.10 0.00 0.00 174.94 177.10 1kfy s ASN 2 N 1.02 7.08 0.40 3.58 4.22 -1.26 -4.99 114.94 124.99 1kfy s ASN 2 Ca -0.03 2.23 -0.26 0.00 -2.14 0.00 0.00 52.86 52.66 1kfy s ASN 2 Cb -0.15 -2.61 -0.08 0.00 1.28 0.00 0.00 41.25 39.69 1kfy s ASN 2 CO -0.05 -0.38 1.21 -2.16 -2.04 0.00 0.00 177.10 173.68 1kfy s PRO 3 N -0.19 4.03 -0.79 3.55 0.04 -1.26 -4.13 135.00 136.26 1kfy s PRO 3 Ca 0.53 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1kfy s PRO 3 Cb -0.33 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 1kfy s PRO 3 CO 0.36 -0.37 0.66 -1.71 0.04 0.00 0.00 177.00 175.98 1kfy n ASN 4 N 0.12 -6.40 -4.79 6.66 2.85 -1.26 -5.02 115.26 107.42 1kfy n ASN 4 Ca 0.04 -0.50 -0.29 0.00 -0.11 0.00 0.00 54.58 53.71 1kfy n ASN 4 Cb 0.45 -3.61 0.11 0.00 1.24 0.00 0.00 39.78 37.97 1kfy n ASN 4 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kfy s PRO 5 N -3.96 1.69 0.03 1.20 0.04 -1.26 -4.99 135.00 127.74 1kfy s PRO 5 Ca 0.01 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 1kfy s PRO 5 Cb -0.00 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1kfy s PRO 5 CO 0.82 -1.78 1.49 0.15 0.04 0.00 0.00 177.00 177.72 1kfy s LYS 6 N -5.58 4.25 0.53 4.56 1.02 -1.26 -4.98 119.74 118.29 1kfy s LYS 6 Ca 0.64 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 58.50 1kfy s LYS 6 Cb -0.11 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1kfy s LYS 6 CO 0.50 -0.63 1.32 0.50 -0.92 0.00 0.00 175.35 176.12 1kfy s ARG 7 N 2.45 3.24 0.33 1.68 3.52 -1.26 -5.00 118.95 123.90 1kfy s ARG 7 Ca 0.67 2.13 -0.10 0.00 -0.13 0.00 0.00 55.73 58.30 1kfy s ARG 7 Cb -0.34 -2.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.71 1kfy s ARG 7 CO 0.28 -1.08 0.67 0.45 -0.81 0.00 0.00 175.30 174.82 1kfy s SER 8 N -1.06 6.58 0.00 -2.12 0.15 -1.26 -4.99 113.70 111.00 1kfy s SER 8 Ca 0.71 1.03 0.24 0.00 0.70 0.00 0.00 55.95 58.63 1kfy s SER 8 Cb -0.38 -2.28 0.21 0.00 -1.71 0.00 0.00 66.02 61.87 1kfy s SER 8 CO 0.45 -0.25 1.27 -0.90 1.20 0.00 0.00 173.24 175.00 1kfy n ASP 9 N -0.80 2.84 -0.26 5.45 3.85 -1.26 -4.59 116.55 121.78 1kfy n ASP 9 Ca 0.01 -1.93 0.23 0.00 -0.71 0.00 0.00 54.79 52.40 1kfy n ASP 9 Cb 0.53 0.04 0.58 0.00 -1.35 0.00 0.00 41.12 40.92 1kfy n ASP 9 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1kfy h GLU 10 N 4.39 0.28 0.00 0.11 4.57 -2.01 -1.73 114.58 120.19 1kfy h GLU 10 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1kfy h GLU 10 Cb 0.95 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1kfy h GLU 10 CO 0.00 0.18 0.14 -1.35 -1.18 0.00 0.00 179.01 176.81 1kfy h PRO 11 N 0.28 0.00 0.01 0.92 0.11 -1.98 0.17 132.00 131.52 1kfy h PRO 11 Ca 0.50 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.44 1kfy h PRO 11 Cb 1.47 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.56 1kfy h PRO 11 CO -0.16 0.00 -0.95 0.28 -0.21 0.00 0.00 178.00 176.96 1kfy h VAL 12 N 0.00 1.16 -0.03 3.15 2.07 -1.69 -2.95 116.25 117.95 1kfy h VAL 12 Ca 0.00 -2.25 -0.14 0.00 0.82 0.00 0.00 66.70 65.13 1kfy h VAL 12 Cb 0.29 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1kfy h VAL 12 CO 0.00 0.44 -0.61 -0.26 0.02 0.00 0.00 177.57 177.16 1kfy h PHE 13 N -0.91 0.16 -0.35 1.57 0.04 -1.58 -2.36 116.94 113.50 1kfy h PHE 13 Ca -0.25 -0.06 -0.14 0.00 2.80 0.00 0.00 57.97 60.32 1kfy h PHE 13 Cb 1.28 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 1kfy h PHE 13 CO 0.15 0.70 -0.34 2.35 -0.60 0.00 0.00 178.31 180.57 1kfy h TRP 14 N 0.09 0.93 -0.46 -0.55 7.01 -0.85 -0.26 115.95 121.86 1kfy h TRP 14 Ca -0.01 -0.26 -0.03 0.00 2.11 0.00 0.00 58.89 60.70 1kfy h TRP 14 Cb 1.09 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 1kfy h TRP 14 CO 0.01 1.02 0.15 0.78 -2.79 0.00 0.00 178.44 177.61 1kfy h GLY 15 N 0.92 0.76 0.75 2.65 0.00 -1.30 -0.12 103.07 106.74 1kfy h GLY 15 Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1kfy h GLY 15 CO 0.08 0.41 -0.33 1.41 0.00 0.00 0.00 176.54 178.11 1kfy h LEU 16 N 0.60 -0.79 -1.60 3.11 3.38 -1.35 -2.81 115.31 115.85 1kfy h LEU 16 Ca 0.15 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.47 1kfy h LEU 16 Cb 0.25 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1kfy h LEU 16 CO -0.01 -0.43 0.81 0.15 0.09 0.00 0.00 178.44 179.06 1kfy h PHE 17 N -1.19 0.39 0.58 1.13 3.04 -1.01 0.46 116.94 120.35 1kfy h PHE 17 Ca -0.10 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 1kfy h PHE 17 Cb 0.74 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.14 1kfy h PHE 17 CO 0.00 -0.02 -0.28 0.78 -2.02 0.00 0.00 178.31 176.77 1kfy h GLY 18 N 0.18 -0.82 0.65 2.40 0.00 -0.90 0.35 103.07 104.93 1kfy h GLY 18 Ca 0.66 0.30 0.11 0.00 0.00 0.00 0.00 47.33 48.40 1kfy h GLY 18 CO -0.22 -0.30 0.58 0.00 0.00 0.00 0.00 176.54 176.61 1kfy h ALA 19 N -1.05 1.65 0.65 3.60 0.00 -1.01 -0.04 119.26 123.06 1kfy h ALA 19 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1kfy h ALA 19 Cb 0.64 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1kfy h ALA 19 CO 0.13 0.15 -0.31 0.78 0.00 0.00 0.00 179.25 180.00 1kfy h GLY 20 N 0.87 -0.91 0.77 0.00 0.00 0.01 -1.57 103.07 102.24 1kfy h GLY 20 Ca 0.43 0.34 0.11 0.00 0.00 0.00 0.00 47.33 48.21 1kfy h GLY 20 CO -0.20 -0.33 0.53 -1.33 0.00 0.00 0.00 176.54 175.21 1kfy h GLY 21 N -0.96 1.06 0.87 4.60 0.00 0.50 -0.99 103.07 108.14 1kfy h GLY 21 Ca -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1kfy h GLY 21 CO 0.15 0.15 0.06 1.98 0.00 0.00 0.00 176.54 178.89 1kfy h MET 22 N 0.71 0.29 -0.15 4.80 4.05 -0.83 -1.43 114.93 122.36 1kfy h MET 22 Ca 0.38 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.74 1kfy h MET 22 Cb 0.51 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1kfy h MET 22 CO -0.15 0.38 0.07 2.35 0.23 0.00 0.00 176.91 179.79 1kfy h TRP 23 N 0.13 0.22 0.00 1.39 2.91 -0.25 -1.88 115.95 118.48 1kfy h TRP 23 Ca 0.06 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1kfy h TRP 23 Cb 0.21 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1kfy h TRP 23 CO -0.00 0.26 0.00 -1.13 -1.03 0.00 0.00 178.44 176.53 1kfy n SER 24 N -4.90 0.61 0.08 2.65 3.41 -0.48 -1.00 113.62 113.99 1kfy n SER 24 Ca -0.05 0.68 -0.22 0.00 -0.26 0.00 0.00 58.87 59.02 1kfy n SER 24 Cb 0.09 -0.80 -0.15 0.00 -0.26 0.00 0.00 64.21 63.10 1kfy n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfy h ALA 25 N 2.22 -0.01 0.03 7.33 0.00 -0.48 -3.04 119.26 125.30 1kfy h ALA 25 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 1kfy h ALA 25 Cb 0.28 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kfy h ALA 25 CO 0.00 0.70 -0.01 0.82 0.00 0.00 0.00 179.25 180.75 1kfy h ILE 26 N -0.10 0.54 0.00 0.00 5.03 -1.25 -3.42 117.51 118.32 1kfy h ILE 26 Ca -0.25 -1.36 -0.10 0.00 -0.12 0.00 0.00 64.86 63.03 1kfy h ILE 26 Cb 1.93 1.02 -0.02 0.00 -3.03 0.00 0.00 36.82 36.72 1kfy h ILE 26 CO 0.18 0.18 -1.18 0.40 -0.68 0.00 0.00 178.15 177.05 1kfy h ILE 27 N -1.00 0.31 -0.17 -0.67 5.03 -1.28 -3.42 117.51 116.30 1kfy h ILE 27 Ca -0.00 -1.59 0.01 0.00 -0.12 0.00 0.00 64.86 63.15 1kfy h ILE 27 Cb 0.32 1.84 -0.01 0.00 -3.03 0.00 0.00 36.82 35.94 1kfy h ILE 27 CO 0.01 0.17 0.10 0.00 -0.68 0.00 0.00 178.15 177.75 1kfy h ALA 28 N 1.66 0.21 -0.09 1.87 0.00 -1.59 -2.94 119.26 118.38 1kfy h ALA 28 Ca -0.09 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1kfy h ALA 28 Cb 1.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1kfy h ALA 28 CO 0.03 -0.33 -0.09 -1.00 0.00 0.00 0.00 179.25 177.86 1kfy h PRO 29 N 0.20 -0.11 -0.74 0.00 0.13 -1.82 -1.70 132.00 127.96 1kfy h PRO 29 Ca 0.07 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1kfy h PRO 29 Cb -0.00 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.12 1kfy h PRO 29 CO -0.03 -0.08 0.46 -0.24 -0.23 0.00 0.00 178.00 177.88 1kfy h VAL 30 N -0.12 1.20 -0.27 1.56 3.04 -1.84 -1.48 116.25 118.35 1kfy h VAL 30 Ca 0.07 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 1kfy h VAL 30 Cb 0.21 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 1kfy h VAL 30 CO -0.16 0.21 0.10 0.24 -1.01 0.00 0.00 177.57 176.95 1kfy h MET 31 N 1.02 0.41 -0.85 4.17 2.86 -1.29 -1.53 114.93 119.71 1kfy h MET 31 Ca 0.27 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1kfy h MET 31 Cb -0.06 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1kfy h MET 31 CO -0.05 0.44 0.55 0.82 1.06 0.00 0.00 176.91 179.73 1kfy h ILE 32 N 0.29 1.22 0.00 -1.22 2.04 -1.02 -1.11 117.51 117.72 1kfy h ILE 32 Ca 0.09 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1kfy h ILE 32 Cb 0.19 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1kfy h ILE 32 CO -0.01 0.22 -0.00 0.25 0.00 0.00 0.00 178.15 178.61 1kfy h LEU 33 N 1.16 -0.01 0.00 1.44 5.85 -0.73 0.91 115.31 123.93 1kfy h LEU 33 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1kfy h LEU 33 Cb -0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1kfy h LEU 33 CO -0.06 -0.01 0.00 0.18 -0.34 0.00 0.00 178.44 178.21 1kfy n LEU 34 N -2.28 0.00 0.22 2.25 4.77 -0.63 -0.58 117.00 120.75 1kfy n LEU 34 Ca -0.00 0.92 -0.15 0.00 -0.03 0.00 0.00 56.01 56.75 1kfy n LEU 34 Cb 0.00 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1kfy n LEU 34 CO 0.00 -0.42 0.72 0.58 -1.33 0.00 0.00 177.39 176.94 1kfy h VAL 35 N 0.00 0.64 -0.00 4.08 2.07 -1.31 0.27 116.25 122.00 1kfy h VAL 35 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1kfy h VAL 35 Cb 0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1kfy h VAL 35 CO 0.00 0.02 -0.03 0.61 0.02 0.00 0.00 177.57 178.19 1kfy n GLY 36 N -1.16 -1.46 1.56 2.17 0.00 0.31 -4.02 105.19 102.58 1kfy n GLY 36 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1kfy n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfy n ILE 37 N -1.47 0.52 0.02 -0.61 5.41 0.25 -4.79 119.36 118.68 1kfy n ILE 37 Ca 0.08 0.17 -0.12 0.00 1.00 0.00 0.00 62.75 63.88 1kfy n ILE 37 Cb 0.33 -0.95 -0.08 0.00 -0.71 0.00 0.00 39.64 38.23 1kfy n ILE 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kfy h LEU 38 N 0.00 0.02 0.33 1.39 3.38 -0.99 -2.60 115.31 116.85 1kfy h LEU 38 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1kfy h LEU 38 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1kfy h LEU 38 CO 0.00 0.18 -0.38 0.25 0.09 0.00 0.00 178.44 178.58 1kfy h LEU 39 N -0.14 -1.04 -0.01 1.67 5.85 -0.64 -1.28 115.31 119.72 1kfy h LEU 39 Ca 0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1kfy h LEU 39 Cb 0.16 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1kfy h LEU 39 CO -0.00 -0.51 0.00 -0.81 -0.34 0.00 0.00 178.44 176.78 1kfy n PRO 40 N -5.47 0.00 -0.08 5.25 -0.04 -1.24 -2.00 135.00 131.42 1kfy n PRO 40 Ca -0.10 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1kfy n PRO 40 Cb 0.38 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.40 1kfy n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kfy n LEU 41 N -1.51 2.42 0.00 1.53 4.77 -0.72 -4.96 117.00 118.53 1kfy n LEU 41 Ca 0.01 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1kfy n LEU 41 Cb 0.06 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1kfy n LEU 41 CO 0.05 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1kfy n GLY 42 N -0.23 0.00 2.55 -0.72 0.00 -0.57 -4.83 105.19 101.39 1kfy n GLY 42 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1kfy n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kfy n LEU 43 N 0.00 4.65 -3.74 0.99 4.77 -0.71 -4.75 117.00 118.21 1kfy n LEU 43 Ca 0.00 -2.76 -0.11 0.00 -0.03 0.00 0.00 56.01 53.10 1kfy n LEU 43 Cb 0.36 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1kfy n LEU 43 CO 0.00 0.65 0.05 0.72 -1.33 0.00 0.00 177.39 177.47 1kfy s PHE 44 N 3.17 -0.12 0.08 -1.77 -0.12 -1.26 -4.84 117.98 113.12 1kfy s PHE 44 Ca 0.39 -0.03 -0.31 0.00 -0.05 0.00 0.00 56.93 56.93 1kfy s PHE 44 Cb 0.11 0.11 -0.08 0.00 -0.63 0.00 0.00 43.02 42.54 1kfy s PHE 44 CO -0.03 -0.53 1.56 -1.25 -0.05 0.00 0.00 175.22 174.93 1kfy s PRO 45 N -2.69 4.23 2.07 1.99 0.04 -1.26 -4.85 135.00 134.52 1kfy s PRO 45 Ca -0.04 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1kfy s PRO 45 Cb -0.00 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1kfy s PRO 45 CO -0.04 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1kfy n GLY 46 N 3.83 2.57 1.38 0.56 0.00 -1.26 -1.63 105.19 110.64 1kfy n GLY 46 Ca 0.14 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 1kfy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kfy n ASP 47 N 4.22 3.71 -0.21 1.61 3.85 -1.26 -4.72 116.55 123.75 1kfy n ASP 47 Ca 0.00 -3.35 0.08 0.00 -0.71 0.00 0.00 54.79 50.80 1kfy n ASP 47 Cb 0.00 -0.65 0.36 0.00 -1.35 0.00 0.00 41.12 39.47 1kfy n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfy h ALA 48 N 1.74 1.73 -0.91 2.12 0.00 -1.65 -2.64 119.26 119.65 1kfy h ALA 48 Ca 0.19 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.46 1kfy h ALA 48 Cb 1.86 -0.18 -0.35 0.00 0.00 0.00 0.00 17.79 19.12 1kfy h ALA 48 CO 0.48 0.13 0.16 1.28 0.00 0.00 0.00 179.25 181.30 1kfy n LEU 49 N -4.49 6.51 -4.87 0.00 4.77 -1.26 -4.59 117.00 113.06 1kfy n LEU 49 Ca 0.12 -4.52 -0.33 0.00 -0.03 0.00 0.00 56.01 51.26 1kfy n LEU 49 Cb 0.28 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1kfy n LEU 49 CO 0.33 1.76 0.17 -0.94 -1.33 0.00 0.00 177.39 177.38 1kfy s SER 50 N -2.57 6.65 0.12 -1.43 1.04 -1.00 -4.88 113.70 111.63 1kfy s SER 50 Ca 0.58 0.89 -0.22 0.00 0.48 0.00 0.00 55.95 57.68 1kfy s SER 50 Cb 0.46 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 1kfy s SER 50 CO -0.01 0.01 1.20 0.00 0.98 0.00 0.00 173.24 175.43 1kfy n TYR 51 N 0.22 -0.32 -0.24 5.02 0.18 -1.26 -0.30 117.16 120.46 1kfy n TYR 51 Ca -0.02 0.90 0.01 0.00 1.88 0.00 0.00 57.90 60.67 1kfy n TYR 51 Cb 0.52 -0.55 0.13 0.00 -0.38 0.00 0.00 39.34 39.06 1kfy n TYR 51 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1kfy h GLU 52 N 0.00 0.60 -0.32 -3.48 5.08 -1.94 0.04 114.58 114.56 1kfy h GLU 52 Ca 0.12 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1kfy h GLU 52 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1kfy h GLU 52 CO -0.68 0.40 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.34 1kfy h ARG 53 N 0.62 0.76 -0.19 2.33 2.43 -1.17 0.58 114.38 119.74 1kfy h ARG 53 Ca 0.34 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1kfy h ARG 53 Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1kfy h ARG 53 CO -0.25 1.02 0.11 0.28 -1.51 0.00 0.00 179.97 179.62 1kfy h VAL 54 N 0.53 1.10 -0.58 0.20 2.07 -0.27 -1.65 116.25 117.65 1kfy h VAL 54 Ca 0.05 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1kfy h VAL 54 Cb 0.87 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1kfy h VAL 54 CO 0.07 0.09 0.18 0.25 0.02 0.00 0.00 177.57 178.19 1kfy h LEU 55 N 0.22 0.84 -1.72 2.57 5.85 -1.00 0.64 115.31 122.71 1kfy h LEU 55 Ca 0.07 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1kfy h LEU 55 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1kfy h LEU 55 CO -0.01 0.82 0.03 0.00 -0.34 0.00 0.00 178.44 178.94 1kfy h ALA 56 N 1.05 1.78 0.01 1.25 0.00 -0.59 0.04 119.26 122.80 1kfy h ALA 56 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1kfy h ALA 56 Cb 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kfy h ALA 56 CO -0.01 0.17 -0.16 0.35 0.00 0.00 0.00 179.25 179.61 1kfy h PHE 57 N 0.20 0.05 -0.43 0.00 3.57 -0.45 -3.16 116.94 116.72 1kfy h PHE 57 Ca 0.05 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1kfy h PHE 57 Cb 0.10 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1kfy h PHE 57 CO 0.00 1.06 0.30 0.00 -2.23 0.00 0.00 178.31 177.44 1kfy h ALA 58 N -0.02 2.14 0.00 2.41 0.00 0.47 -1.17 119.26 123.08 1kfy h ALA 58 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kfy h ALA 58 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1kfy h ALA 58 CO -0.00 -0.24 -0.09 1.04 0.00 0.00 0.00 179.25 179.96 1kfy n GLN 59 N -4.46 0.11 -2.53 0.00 6.02 -0.02 -3.54 117.38 112.96 1kfy n GLN 59 Ca 0.06 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 1kfy n GLN 59 Cb 0.36 -1.62 -0.04 0.00 1.02 0.00 0.00 30.24 29.96 1kfy n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1kfy s SER 60 N -3.60 6.54 0.13 1.08 1.04 -0.44 -4.90 113.70 113.55 1kfy s SER 60 Ca 0.12 1.73 -0.28 0.00 0.48 0.00 0.00 55.95 58.01 1kfy s SER 60 Cb 0.16 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 1kfy s SER 60 CO 0.58 -0.64 1.60 0.15 0.98 0.00 0.00 173.24 175.91 1kfy h PHE 61 N 1.34 -1.01 -0.54 5.02 3.57 -1.89 -0.42 116.94 123.01 1kfy h PHE 61 Ca -0.48 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.12 1kfy h PHE 61 Cb 1.20 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 40.33 1kfy h PHE 61 CO 0.61 -0.44 0.23 0.97 -2.23 0.00 0.00 178.31 177.45 1kfy h ILE 62 N -0.48 0.87 -0.27 1.41 2.10 -1.94 -2.21 117.51 116.99 1kfy h ILE 62 Ca 0.07 -0.15 -0.04 0.00 1.08 0.00 0.00 64.86 65.82 1kfy h ILE 62 Cb 0.59 0.39 -0.02 0.00 -1.09 0.00 0.00 36.82 36.69 1kfy h ILE 62 CO -0.33 0.08 0.01 1.23 -1.08 0.00 0.00 178.15 178.06 1kfy h GLY 63 N 0.44 0.44 0.66 8.18 0.00 -1.51 0.42 103.07 111.70 1kfy h GLY 63 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1kfy h GLY 63 CO -0.23 0.23 -0.01 3.21 0.00 0.00 0.00 176.54 179.74 1kfy h ARG 64 N 0.40 0.06 -0.67 4.80 3.08 -0.60 -0.04 114.38 121.41 1kfy h ARG 64 Ca 0.09 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1kfy h ARG 64 Cb 0.26 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1kfy h ARG 64 CO 0.01 0.41 0.14 -0.39 -1.07 0.00 0.00 179.97 179.07 1kfy h VAL 65 N -0.29 1.26 -0.43 2.04 -1.51 -1.16 -2.11 116.25 114.06 1kfy h VAL 65 Ca 0.01 -0.99 -0.02 0.00 -1.23 0.00 0.00 66.70 64.47 1kfy h VAL 65 Cb 0.39 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 1kfy h VAL 65 CO 0.00 0.38 0.21 0.15 -1.23 0.00 0.00 177.57 177.08 1kfy h PHE 66 N 1.02 0.61 -0.12 5.19 3.57 -0.88 -1.78 116.94 124.55 1kfy h PHE 66 Ca 0.21 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1kfy h PHE 66 Cb 0.40 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1kfy h PHE 66 CO 0.03 0.50 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.30 1kfy h LEU 67 N 0.55 0.20 0.63 0.59 3.38 -0.85 0.58 115.31 120.38 1kfy h LEU 67 Ca 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1kfy h LEU 67 Cb 0.12 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1kfy h LEU 67 CO -0.02 0.44 -0.30 0.15 0.09 0.00 0.00 178.44 178.80 1kfy h PHE 68 N 0.18 -0.78 -0.68 1.13 3.57 -1.15 -2.50 116.94 116.71 1kfy h PHE 68 Ca 0.03 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1kfy h PHE 68 Cb 0.53 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 1kfy h PHE 68 CO 0.01 -0.49 0.31 -0.07 -2.23 0.00 0.00 178.31 175.84 1kfy h LEU 69 N -1.16 0.37 -2.36 0.59 3.38 -1.30 0.20 115.31 115.03 1kfy h LEU 69 Ca -0.09 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1kfy h LEU 69 Cb 0.65 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1kfy h LEU 69 CO 0.14 0.21 0.04 -0.03 0.09 0.00 0.00 178.44 178.89 1kfy h MET 70 N 0.53 0.00 0.01 1.13 4.05 -0.87 -1.88 114.93 117.90 1kfy h MET 70 Ca 0.34 0.00 -0.40 0.00 -0.28 0.00 0.00 59.70 59.35 1kfy h MET 70 Cb 0.39 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.13 1kfy h MET 70 CO -0.29 0.00 -2.31 -0.89 0.23 0.00 0.00 176.91 173.66 1kfy n ILE 71 N -3.94 1.54 0.05 1.77 5.41 -0.37 -4.51 119.36 119.30 1kfy n ILE 71 Ca -0.02 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.21 1kfy n ILE 71 Cb 0.13 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.23 1kfy n ILE 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1kfy h VAL 72 N -0.61 0.86 -0.62 1.39 2.07 -0.62 -3.21 116.25 115.51 1kfy h VAL 72 Ca -0.60 -1.15 0.13 0.00 0.82 0.00 0.00 66.70 65.91 1kfy h VAL 72 Cb 1.70 1.45 -0.11 0.00 -1.52 0.00 0.00 31.29 32.80 1kfy h VAL 72 CO -0.25 0.22 -0.09 -0.07 0.02 0.00 0.00 177.57 177.40 1kfy h LEU 73 N -0.86 -0.45 -1.32 2.57 3.38 -1.54 0.13 115.31 117.22 1kfy h LEU 73 Ca -0.02 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1kfy h LEU 73 Cb 0.53 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1kfy h LEU 73 CO 0.04 -0.17 0.49 -0.65 0.09 0.00 0.00 178.44 178.23 1kfy h PRO 74 N 0.04 0.85 0.10 1.13 0.11 -1.73 -2.69 132.00 129.82 1kfy h PRO 74 Ca 0.31 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1kfy h PRO 74 Cb 0.49 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1kfy h PRO 74 CO -0.59 0.56 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.64 1kfy h LEU 75 N 0.87 -0.12 -2.27 2.35 3.38 -0.78 0.33 115.31 119.07 1kfy h LEU 75 Ca 0.30 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1kfy h LEU 75 Cb 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1kfy h LEU 75 CO -0.09 -0.00 0.15 -0.50 0.09 0.00 0.00 178.44 178.08 1kfy h TRP 76 N -0.22 0.00 0.00 1.13 4.06 -1.02 0.26 115.95 120.15 1kfy h TRP 76 Ca -0.01 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.83 1kfy h TRP 76 Cb 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1kfy h TRP 76 CO -0.04 0.00 -0.60 0.00 -3.56 0.00 0.00 178.44 174.23 1kfy h GLY 78 N -1.00 1.08 1.38 0.00 0.00 0.21 -2.22 103.07 102.51 1kfy h GLY 78 Ca -0.16 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.45 1kfy h GLY 78 CO -0.10 0.57 -0.26 1.41 0.00 0.00 0.00 176.54 178.16 1kfy h LEU 79 N 0.95 0.72 -0.37 3.11 3.38 -0.70 -1.40 115.31 121.00 1kfy h LEU 79 Ca 0.22 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1kfy h LEU 79 Cb 0.24 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1kfy h LEU 79 CO -0.01 0.95 -0.02 -0.74 0.09 0.00 0.00 178.44 178.71 1kfy h HIS 80 N 0.61 -0.05 -0.37 1.13 2.76 -1.49 -0.59 115.15 117.16 1kfy h HIS 80 Ca 0.08 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 1kfy h HIS 80 Cb 0.76 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1kfy h HIS 80 CO 0.04 -0.09 -0.10 0.00 -1.30 0.00 0.00 177.93 176.48 1kfy h ARG 81 N 0.08 0.64 -0.36 5.26 3.08 -1.03 -2.61 114.38 119.45 1kfy h ARG 81 Ca 0.18 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1kfy h ARG 81 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1kfy h ARG 81 CO -0.31 0.73 -0.16 0.52 -1.07 0.00 0.00 179.97 179.68 1kfy h MET 82 N 0.59 0.65 0.07 0.04 2.86 -0.59 0.94 114.93 119.49 1kfy h MET 82 Ca 0.11 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1kfy h MET 82 Cb 0.52 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1kfy h MET 82 CO 0.03 0.78 -0.05 1.25 1.06 0.00 0.00 176.91 179.98 1kfy h HIS 83 N 0.59 -0.14 0.00 -0.22 -0.00 -0.76 -1.76 115.15 112.86 1kfy h HIS 83 Ca 0.10 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 1kfy h HIS 83 Cb 0.61 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1kfy h HIS 83 CO 0.03 -0.09 -0.35 0.45 -0.00 0.00 0.00 177.93 177.97 1kfy h HIS 84 N -0.13 0.00 -0.84 5.26 -0.00 -1.29 -2.56 115.15 115.59 1kfy h HIS 84 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1kfy h HIS 84 Cb 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 1kfy h HIS 84 CO -0.09 0.35 0.42 0.00 -0.00 0.00 0.00 177.93 178.61 1kfy h ALA 85 N 1.65 1.16 -0.74 2.45 0.00 -0.14 -1.51 119.26 122.14 1kfy h ALA 85 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1kfy h ALA 85 Cb 0.68 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1kfy h ALA 85 CO 0.05 0.65 0.41 0.52 0.00 0.00 0.00 179.25 180.87 1kfy h MET 86 N 1.18 0.70 0.28 0.00 2.86 -0.91 0.12 114.93 119.16 1kfy h MET 86 Ca 0.29 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1kfy h MET 86 Cb 0.09 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1kfy h MET 86 CO -0.04 0.46 -0.13 1.25 1.06 0.00 0.00 176.91 179.51 1kfy h HIS 87 N 0.72 -0.35 -0.00 -0.22 6.17 -1.37 0.18 115.15 120.28 1kfy h HIS 87 Ca 0.35 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.42 1kfy h HIS 87 Cb 0.28 0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.32 1kfy h HIS 87 CO -0.08 -0.11 0.00 -0.44 0.71 0.00 0.00 177.93 178.02 1kfy h ASP 88 N -0.53 0.00 0.51 3.26 3.32 -0.89 0.68 116.42 122.76 1kfy h ASP 88 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1kfy h ASP 88 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1kfy h ASP 88 CO 0.06 0.00 -0.69 0.18 -1.72 0.00 0.00 179.24 177.08 1kfy n LEU 89 N -4.05 0.60 -2.76 1.55 4.77 -0.01 -4.98 117.00 112.12 1kfy n LEU 89 Ca -0.03 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1kfy n LEU 89 Cb 0.09 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1kfy n LEU 89 CO 0.29 0.09 0.05 0.29 -1.33 0.00 0.00 177.39 176.78 1kfy n LYS 90 N -1.71 -2.95 -3.99 3.23 5.02 0.23 -5.02 118.16 112.97 1kfy n LYS 90 Ca 0.04 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.62 1kfy n LYS 90 Cb 0.38 -4.76 -0.15 0.00 -0.02 0.00 0.00 35.03 30.48 1kfy n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kfy s ILE 91 N -3.27 2.70 -0.19 -0.18 1.01 0.45 -5.02 121.20 116.70 1kfy s ILE 91 Ca 0.19 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1kfy s ILE 91 Cb -0.03 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1kfy s ILE 91 CO 0.53 0.24 1.59 -1.00 0.00 0.00 0.00 174.94 176.30 1kfy s HIS 92 N 1.30 2.14 -0.32 3.97 3.76 -1.26 -4.54 115.29 120.35 1kfy s HIS 92 Ca 0.00 0.52 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 1kfy s HIS 92 Cb -0.16 -3.93 0.10 0.00 1.11 0.00 0.00 32.58 29.69 1kfy s HIS 92 CO -0.06 -3.00 0.06 0.08 -0.85 0.00 0.00 174.74 170.97 1kfy s VAL 93 N 4.85 1.58 0.08 -0.90 1.01 -1.26 -5.10 120.40 120.66 1kfy s VAL 93 Ca 0.70 -1.82 -0.37 0.00 0.00 0.00 0.00 61.98 60.50 1kfy s VAL 93 Cb -0.26 -2.15 -0.17 0.00 0.00 0.00 0.00 36.38 33.80 1kfy s VAL 93 CO 0.28 -0.58 1.23 -0.81 0.00 0.00 0.00 175.10 175.22 1kfy n PRO 94 N 4.56 0.82 -2.55 2.72 -0.04 -1.26 0.00 135.00 139.25 1kfy n PRO 94 Ca -0.00 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1kfy n PRO 94 Cb 0.42 -1.87 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1kfy n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kfy n ALA 95 N 2.08 -0.78 -0.29 0.55 0.00 -1.26 -4.75 120.51 116.06 1kfy n ALA 95 Ca 0.18 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 1kfy n ALA 95 Cb 0.17 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 1kfy n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfy n GLY 96 N -0.93 -1.64 0.29 0.00 0.00 0.10 0.17 105.19 103.19 1kfy n GLY 96 Ca -0.15 0.83 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 1kfy n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfy h LYS 97 N 0.00 -0.14 -0.04 1.61 1.79 -1.87 -1.42 116.57 116.50 1kfy h LYS 97 Ca 0.20 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1kfy h LYS 97 Cb 0.38 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1kfy h LYS 97 CO -0.71 -0.09 0.03 -1.49 -1.08 0.00 0.00 179.45 176.11 1kfy h TRP 98 N -0.14 0.05 0.00 -1.35 4.06 -0.63 -2.05 115.95 115.88 1kfy h TRP 98 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1kfy h TRP 98 Cb 0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1kfy h TRP 98 CO -0.52 0.05 0.00 0.28 -3.56 0.00 0.00 178.44 174.69 1kfy n VAL 99 N -5.05 0.00 0.21 1.49 0.31 -0.21 0.63 118.33 115.71 1kfy n VAL 99 Ca -0.06 1.40 -0.15 0.00 -0.01 0.00 0.00 64.34 65.51 1kfy n VAL 99 Cb 0.04 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 30.82 1kfy n VAL 99 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1kfy h PHE 100 N 0.00 -0.71 -0.06 3.52 -1.00 -1.39 0.42 116.94 117.72 1kfy h PHE 100 Ca 0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1kfy h PHE 100 Cb 0.00 0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1kfy h PHE 100 CO -0.40 -0.40 -0.34 1.88 -1.61 0.00 0.00 178.31 177.43 1kfy h TYR 101 N -0.61 0.12 0.59 -0.55 -1.99 -1.44 -1.12 116.97 111.97 1kfy h TYR 101 Ca -0.02 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1kfy h TYR 101 Cb 0.54 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 39.24 1kfy h TYR 101 CO -0.14 0.44 -0.28 0.78 -0.00 0.00 0.00 178.16 178.95 1kfy h GLY 102 N 1.09 -0.83 -0.29 3.88 0.00 0.67 0.15 103.07 107.74 1kfy h GLY 102 Ca 0.01 0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.82 1kfy h GLY 102 CO 0.05 -0.30 0.05 -2.00 0.00 0.00 0.00 176.54 174.34 1kfy h LEU 103 N -0.99 -0.26 -0.03 3.11 5.85 -0.02 0.19 115.31 123.17 1kfy h LEU 103 Ca -0.08 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1kfy h LEU 103 Cb 0.66 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1kfy h LEU 103 CO 0.13 -0.15 -0.23 0.00 -0.34 0.00 0.00 178.44 177.86 1kfy h ALA 104 N 1.68 -0.28 -0.96 1.25 0.00 -0.76 -0.27 119.26 119.92 1kfy h ALA 104 Ca 0.41 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1kfy h ALA 104 Cb 0.73 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1kfy h ALA 104 CO -0.62 -0.72 0.63 0.00 0.00 0.00 0.00 179.25 178.54 1kfy h ALA 105 N 0.54 1.35 0.59 0.00 0.00 0.18 0.16 119.26 122.08 1kfy h ALA 105 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1kfy h ALA 105 Cb 0.44 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1kfy h ALA 105 CO -0.23 0.57 -0.28 0.82 0.00 0.00 0.00 179.25 180.13 1kfy h ILE 106 N 1.25 0.41 -0.49 0.00 2.04 0.08 0.54 117.51 121.36 1kfy h ILE 106 Ca 0.37 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.21 1kfy h ILE 106 Cb -0.06 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1kfy h ILE 106 CO -0.10 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.31 1kfy h LEU 107 N -0.81 0.55 -0.35 1.44 3.38 -0.82 0.28 115.31 118.98 1kfy h LEU 107 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1kfy h LEU 107 Cb 0.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1kfy h LEU 107 CO 0.13 0.39 0.23 0.74 0.09 0.00 0.00 178.44 180.02 1kfy h THR 108 N 0.65 1.10 0.83 0.22 2.02 -0.17 0.13 112.91 117.68 1kfy h THR 108 Ca 0.18 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1kfy h THR 108 Cb -0.05 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1kfy h THR 108 CO -0.04 0.09 -0.40 0.58 0.37 0.00 0.00 175.52 176.12 1kfy h VAL 109 N 0.47 0.17 -0.54 3.16 2.07 0.70 0.09 116.25 122.38 1kfy h VAL 109 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1kfy h VAL 109 Cb -0.04 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 29.84 1kfy h VAL 109 CO -0.03 0.00 -0.33 0.58 0.02 0.00 0.00 177.57 177.81 1kfy h VAL 110 N -1.12 0.00 -1.00 2.57 2.07 -0.21 0.84 116.25 119.41 1kfy h VAL 110 Ca -0.11 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.60 1kfy h VAL 110 Cb 0.86 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 1kfy h VAL 110 CO 0.18 0.00 0.61 0.74 0.02 0.00 0.00 177.57 179.12 1kfy h THR 111 N -0.02 0.70 -0.46 2.57 2.02 -0.66 -0.98 112.91 116.08 1kfy h THR 111 Ca 0.09 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1kfy h THR 111 Cb 0.24 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.52 1kfy h THR 111 CO -0.51 0.13 0.20 0.25 0.37 0.00 0.00 175.52 175.96 1kfy h LEU 112 N 0.72 0.26 0.21 2.58 5.85 0.27 0.18 115.31 125.39 1kfy h LEU 112 Ca 0.57 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 1kfy h LEU 112 Cb 0.94 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1kfy h LEU 112 CO -0.35 0.19 -0.10 0.40 -0.34 0.00 0.00 178.44 178.23 1kfy h ILE 113 N 0.41 0.82 -0.69 4.05 2.04 0.07 -1.88 117.51 122.34 1kfy h ILE 113 Ca 0.21 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 66.06 1kfy h ILE 113 Cb 0.16 0.92 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 1kfy h ILE 113 CO -0.18 0.04 0.10 1.23 0.00 0.00 0.00 178.15 179.34 1kfy h GLY 114 N -0.37 0.86 2.00 5.37 0.00 -0.45 2.37 103.07 112.86 1kfy h GLY 114 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kfy h GLY 114 CO 0.05 -0.20 0.00 1.55 0.00 0.00 0.00 176.54 177.94 1kfy n VAL 115 N -5.21 0.60 0.12 4.60 3.14 0.55 -1.41 118.33 120.72 1kfy n VAL 115 Ca 0.12 -0.13 0.09 0.00 -2.96 0.00 0.00 64.34 61.46 1kfy n VAL 115 Cb 0.41 -0.72 -0.14 0.00 -1.06 0.00 0.00 33.84 32.34 1kfy n VAL 115 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1kfy n VAL 116 N -2.17 0.00 0.00 1.55 0.24 -0.42 -4.77 118.33 112.75 1kfy n VAL 116 Ca 0.05 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1kfy n VAL 116 Cb 0.37 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1kfy n VAL 116 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1kfy n THR 117 N -2.05 0.00 0.00 3.34 -1.04 0.79 -5.07 114.28 110.25 1kfy n THR 117 Ca -0.02 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1kfy n THR 117 Cb 0.46 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1kfy n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43