#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfk n ARG 40 N 0.00 0.37 0.00 1.61 5.12 -1.26 -4.64 116.66 117.86 1sfk n ARG 40 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sfk n ARG 40 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1sfk n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sfk n GLY 41 N 4.44 -3.82 3.64 -0.13 0.00 -1.26 -4.94 105.19 103.12 1sfk n GLY 41 Ca 0.00 -2.01 -0.50 0.00 0.00 0.00 0.00 46.02 43.51 1sfk n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sfk n PRO 42 N -0.16 1.65 -0.29 1.61 -0.02 -1.26 -4.79 135.00 131.74 1sfk n PRO 42 Ca 0.00 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1sfk n PRO 42 Cb 0.00 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1sfk n PRO 42 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sfk h THR 43 N 3.73 0.10 -0.11 3.45 2.02 -2.00 -0.70 112.91 119.41 1sfk h THR 43 Ca -0.46 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 1sfk h THR 43 Cb 1.29 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1sfk h THR 43 CO 0.85 0.00 -0.46 0.08 0.37 0.00 0.00 175.52 176.36 1sfk h ARG 44 N -0.07 0.26 0.02 6.66 -0.00 -1.96 -1.73 114.38 117.57 1sfk h ARG 44 Ca 0.32 -0.14 -0.00 0.00 -0.00 0.00 0.00 59.98 60.16 1sfk h ARG 44 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 1sfk h ARG 44 CO -0.84 0.67 -0.01 0.35 -0.00 0.00 0.00 179.97 180.14 1sfk h PHE 45 N 0.21 -0.03 -0.84 4.08 3.57 -1.53 0.48 116.94 122.87 1sfk h PHE 45 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1sfk h PHE 45 Cb 0.90 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1sfk h PHE 45 CO 0.02 0.01 0.46 0.28 -2.23 0.00 0.00 178.31 176.85 1sfk h VAL 46 N -0.06 1.25 -0.36 1.41 2.07 -1.09 0.20 116.25 119.66 1sfk h VAL 46 Ca -0.00 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1sfk h VAL 46 Cb 0.05 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1sfk h VAL 46 CO 0.01 0.28 -0.06 -0.07 0.02 0.00 0.00 177.57 177.74 1sfk h LEU 47 N 1.18 0.68 -0.42 2.57 3.38 -1.14 -0.81 115.31 120.75 1sfk h LEU 47 Ca 0.30 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1sfk h LEU 47 Cb 0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1sfk h LEU 47 CO -0.05 0.87 0.05 0.00 0.09 0.00 0.00 178.44 179.40 1sfk h ALA 48 N 0.84 0.43 -0.45 1.53 0.00 0.58 0.17 119.26 122.35 1sfk h ALA 48 Ca 0.10 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1sfk h ALA 48 Cb 0.56 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1sfk h ALA 48 CO 0.03 -0.35 0.12 1.25 0.00 0.00 0.00 179.25 180.30 1sfk h LEU 49 N 0.17 0.07 -0.43 0.00 5.85 -0.47 0.17 115.31 120.66 1sfk h LEU 49 Ca 0.21 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1sfk h LEU 49 Cb 0.28 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1sfk h LEU 49 CO -0.30 0.07 0.22 0.25 -0.34 0.00 0.00 178.44 178.34 1sfk h LEU 50 N 0.27 0.33 -0.18 2.25 6.46 -0.11 0.82 115.31 125.14 1sfk h LEU 50 Ca 0.22 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1sfk h LEU 50 Cb 0.26 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1sfk h LEU 50 CO -0.26 0.24 -0.08 0.00 -0.62 0.00 0.00 178.44 177.71 1sfk h ALA 51 N 1.22 0.08 -0.97 1.25 0.00 -0.03 -1.72 119.26 119.09 1sfk h ALA 51 Ca 0.18 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1sfk h ALA 51 Cb 0.08 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1sfk h ALA 51 CO -0.12 -0.51 0.64 0.35 0.00 0.00 0.00 179.25 179.60 1sfk h PHE 52 N -0.06 1.20 0.00 0.00 3.04 -0.43 0.18 116.94 120.88 1sfk h PHE 52 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1sfk h PHE 52 Cb 0.20 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1sfk h PHE 52 CO -0.24 0.72 0.00 0.74 -2.02 0.00 0.00 178.31 177.52 1sfk h PHE 53 N 1.27 0.00 0.00 0.41 0.04 -0.31 -0.55 116.94 117.80 1sfk h PHE 53 Ca 0.37 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.77 1sfk h PHE 53 Cb -0.07 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.01 1sfk h PHE 53 CO -0.00 0.00 -2.38 0.54 -0.60 0.00 0.00 178.31 175.87 1sfk n ARG 54 N -2.70 0.73 0.13 1.51 1.74 -0.45 -2.53 116.66 115.08 1sfk n ARG 54 Ca -0.00 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1sfk n ARG 54 Cb 0.19 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1sfk n ARG 54 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1sfk h PHE 55 N 0.00 -0.29 -3.76 -1.55 0.04 -0.16 -3.38 116.94 107.84 1sfk h PHE 55 Ca -0.54 -0.01 -0.51 0.00 2.80 0.00 0.00 57.97 59.71 1sfk h PHE 55 Cb 2.23 0.10 0.02 0.00 2.20 0.00 0.00 35.95 40.50 1sfk h PHE 55 CO 0.00 -0.03 0.51 0.99 -0.60 0.00 0.00 178.31 179.18 1sfk s THR 56 N -5.28 3.41 -1.50 -1.55 2.01 -0.26 -4.95 115.64 107.51 1sfk s THR 56 Ca -0.15 1.38 -0.12 0.00 0.31 0.00 0.00 61.69 63.11 1sfk s THR 56 Cb 0.03 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1sfk s THR 56 CO 0.61 0.31 2.57 0.00 -0.69 0.00 0.00 174.62 177.42 1sfk n ALA 57 N 1.37 6.43 -3.10 7.40 0.00 -1.26 -4.55 120.51 126.79 1sfk n ALA 57 Ca -0.00 -3.64 -0.31 0.00 0.00 0.00 0.00 53.44 49.49 1sfk n ALA 57 Cb 0.44 -3.45 -0.17 0.00 0.00 0.00 0.00 19.45 16.28 1sfk n ALA 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1sfk s ILE 58 N 2.77 1.97 -0.19 0.00 2.07 -1.05 -5.08 121.20 121.69 1sfk s ILE 58 Ca 0.58 -0.99 -0.29 0.00 -1.41 0.00 0.00 60.65 58.54 1sfk s ILE 58 Cb 0.16 -1.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.04 1sfk s ILE 58 CO -0.07 0.54 1.28 0.00 -1.91 0.00 0.00 174.94 174.79 1sfk s ALA 59 N 0.22 3.61 0.65 1.50 0.00 -1.26 -4.46 121.76 122.02 1sfk s ALA 59 Ca -0.14 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 1sfk s ALA 59 Cb -0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 1sfk s ALA 59 CO 0.07 -1.29 1.16 -1.25 0.00 0.00 0.00 175.76 174.45 1sfk s PRO 60 N 3.64 2.72 0.48 0.00 0.04 -1.26 -4.98 135.00 135.64 1sfk s PRO 60 Ca 0.55 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 1sfk s PRO 60 Cb -0.21 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1sfk s PRO 60 CO 0.16 -1.36 1.23 0.95 0.04 0.00 0.00 177.00 178.02 1sfk s THR 61 N -1.98 2.79 0.29 1.26 -4.23 -1.26 -4.77 115.64 107.75 1sfk s THR 61 Ca 0.72 0.60 0.03 0.00 -1.18 0.00 0.00 61.69 61.87 1sfk s THR 61 Cb -0.26 -3.31 0.31 0.00 1.34 0.00 0.00 72.50 70.58 1sfk s THR 61 CO 0.39 -0.00 1.66 0.03 -0.54 0.00 0.00 174.62 176.15 1sfk h ARG 62 N 1.94 0.25 -0.15 3.99 3.08 -1.99 0.98 114.38 122.48 1sfk h ARG 62 Ca -0.50 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.49 1sfk h ARG 62 Cb 1.26 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1sfk h ARG 62 CO 0.60 0.16 -0.11 0.00 -1.07 0.00 0.00 179.97 179.55 1sfk h ALA 63 N 1.77 1.54 0.00 0.04 0.00 -1.94 0.28 119.26 120.95 1sfk h ALA 63 Ca 0.56 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1sfk h ALA 63 Cb 1.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sfk h ALA 63 CO -0.62 0.33 -0.25 0.28 0.00 0.00 0.00 179.25 178.99 1sfk h VAL 64 N 0.22 1.56 -0.63 0.00 2.07 -1.15 -3.21 116.25 115.12 1sfk h VAL 64 Ca 0.05 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1sfk h VAL 64 Cb 0.34 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1sfk h VAL 64 CO 0.02 0.54 0.40 0.25 0.02 0.00 0.00 177.57 178.80 1sfk h LEU 65 N -0.53 0.74 -0.95 2.57 7.12 -0.91 -2.39 115.31 120.95 1sfk h LEU 65 Ca -0.03 -0.04 0.29 0.00 0.13 0.00 0.00 57.88 58.22 1sfk h LEU 65 Cb 1.02 -0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 40.82 1sfk h LEU 65 CO 0.05 0.56 0.43 0.44 -0.13 0.00 0.00 178.44 179.78 1sfk h ASP 66 N 0.85 0.29 0.57 1.25 3.45 -0.54 -2.16 116.42 120.13 1sfk h ASP 66 Ca 0.23 0.19 -0.29 0.00 0.43 0.00 0.00 57.03 57.60 1sfk h ASP 66 Cb -0.06 0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1sfk h ASP 66 CO -0.05 -0.15 -1.32 0.03 -1.57 0.00 0.00 179.24 176.19 1sfk h ARG 67 N 0.28 0.29 -0.44 3.56 3.08 -1.44 -3.22 114.38 116.48 1sfk h ARG 67 Ca 0.66 -0.49 0.13 0.00 0.07 0.00 0.00 59.98 60.34 1sfk h ARG 67 Cb 1.44 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.65 1sfk h ARG 67 CO -0.63 1.22 0.37 2.35 -1.07 0.00 0.00 179.97 182.20 1sfk h TRP 68 N 0.08 0.00 0.00 3.04 2.91 -1.02 0.41 115.95 121.37 1sfk h TRP 68 Ca -0.17 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.85 1sfk h TRP 68 Cb 2.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.65 1sfk h TRP 68 CO 0.07 0.00 -0.37 0.54 -1.03 0.00 0.00 178.44 177.65 1sfk n ARG 69 N -4.10 0.14 -0.02 2.65 1.74 -1.16 -4.26 116.66 111.65 1sfk n ARG 69 Ca 0.08 0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 1sfk n ARG 69 Cb 0.56 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 1sfk n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sfk n SER 70 N -1.83 2.22 -4.50 0.55 3.41 0.02 -5.03 113.62 108.47 1sfk n SER 70 Ca 0.05 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.16 1sfk n SER 70 Cb 0.39 1.31 -0.04 0.00 -0.26 0.00 0.00 64.21 65.60 1sfk n SER 70 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sfk n VAL 71 N -2.08 1.23 -1.62 -3.33 0.24 -0.53 -4.85 118.33 107.39 1sfk n VAL 71 Ca -0.07 -0.31 -0.44 0.00 -2.04 0.00 0.00 64.34 61.48 1sfk n VAL 71 Cb 0.49 -0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 1sfk n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sfk n ASN 72 N 1.81 3.54 -0.33 -1.34 5.15 -1.26 -4.86 115.26 117.97 1sfk n ASN 72 Ca 0.17 0.59 -0.01 0.00 -0.60 0.00 0.00 54.58 54.72 1sfk n ASN 72 Cb 0.22 -1.49 0.03 0.00 -0.53 0.00 0.00 39.78 38.00 1sfk n ASN 72 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1sfk n LYS 73 N 7.95 -0.21 0.10 1.20 4.81 -1.26 0.20 118.16 130.95 1sfk n LYS 73 Ca 0.26 1.32 -0.12 0.00 -0.87 0.00 0.00 58.31 58.89 1sfk n LYS 73 Cb 0.39 -1.95 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 1sfk n LYS 73 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1sfk h GLN 74 N 0.00 -0.35 -0.32 1.64 -0.00 -2.00 -1.22 115.11 112.86 1sfk h GLN 74 Ca 0.29 0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.81 1sfk h GLN 74 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 1sfk h GLN 74 CO -0.85 -0.23 -0.40 1.15 0.00 0.00 0.00 178.83 178.50 1sfk h THR 75 N -0.36 1.28 -0.82 2.39 2.02 -1.64 -1.89 112.91 113.89 1sfk h THR 75 Ca 0.02 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.69 1sfk h THR 75 Cb 0.38 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1sfk h THR 75 CO -0.10 0.51 0.50 0.00 0.37 0.00 0.00 175.52 176.80 1sfk h ALA 76 N 0.92 1.11 0.40 6.16 0.00 -0.13 -2.29 119.26 125.42 1sfk h ALA 76 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sfk h ALA 76 Cb 0.95 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sfk h ALA 76 CO 0.09 0.25 -0.19 1.98 0.00 0.00 0.00 179.25 181.38 1sfk h MET 77 N 0.93 -0.51 -0.92 0.00 -1.53 -1.05 -2.28 114.93 109.57 1sfk h MET 77 Ca 0.35 0.03 0.22 0.00 -3.44 0.00 0.00 59.70 56.87 1sfk h MET 77 Cb 0.14 0.12 -0.17 0.00 -0.55 0.00 0.00 31.60 31.14 1sfk h MET 77 CO -0.16 -0.24 -0.08 -0.22 0.14 0.00 0.00 176.91 176.35 1sfk h LYS 78 N -0.73 0.02 0.07 0.39 3.64 -1.11 -0.61 116.57 118.25 1sfk h LYS 78 Ca -0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1sfk h LYS 78 Cb 0.51 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sfk h LYS 78 CO 0.09 0.02 -0.03 0.45 -2.27 0.00 0.00 179.45 177.70 1sfk h HIS 79 N 0.02 -0.08 -0.92 1.91 3.86 -1.32 -2.69 115.15 115.94 1sfk h HIS 79 Ca 0.50 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.85 1sfk h HIS 79 Cb 0.91 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.34 1sfk h HIS 79 CO -0.58 0.44 0.59 -0.07 0.86 0.00 0.00 177.93 179.17 1sfk h LEU 80 N -0.68 0.71 -0.96 2.43 3.38 -1.06 -1.05 115.31 118.08 1sfk h LEU 80 Ca -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1sfk h LEU 80 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1sfk h LEU 80 CO 0.02 0.36 -0.36 -0.07 0.09 0.00 0.00 178.44 178.48 1sfk h LEU 81 N 0.75 0.31 -0.40 1.67 -0.00 -1.02 -1.41 115.31 115.23 1sfk h LEU 81 Ca 0.46 -0.12 -0.18 0.00 -0.00 0.00 0.00 57.88 58.05 1sfk h LEU 81 Cb 0.69 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1sfk h LEU 81 CO -0.22 0.65 -0.80 -1.28 -0.00 0.00 0.00 178.44 176.79 1sfk h SER 82 N 0.26 0.14 -0.35 -0.43 0.87 -0.90 -2.52 113.55 110.63 1sfk h SER 82 Ca 0.03 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1sfk h SER 82 Cb 0.76 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1sfk h SER 82 CO 0.06 0.88 0.17 -0.26 -0.53 0.00 0.00 176.83 177.16 1sfk h PHE 83 N 0.07 0.50 -0.95 2.24 0.04 -0.71 -0.14 116.94 117.99 1sfk h PHE 83 Ca -0.02 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.84 1sfk h PHE 83 Cb 1.40 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 39.32 1sfk h PHE 83 CO 0.02 0.43 0.60 0.87 -0.60 0.00 0.00 178.31 179.63 1sfk h LYS 84 N 0.43 0.88 -0.27 1.51 1.57 -1.16 0.06 116.57 119.60 1sfk h LYS 84 Ca 0.12 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1sfk h LYS 84 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1sfk h LYS 84 CO -0.02 0.58 0.03 -0.22 -0.57 0.00 0.00 179.45 179.26 1sfk h LYS 85 N 0.91 0.46 -0.44 3.15 3.64 -0.94 -2.22 116.57 121.13 1sfk h LYS 85 Ca 0.46 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1sfk h LYS 85 Cb 0.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sfk h LYS 85 CO -0.22 0.59 0.24 0.93 -2.27 0.00 0.00 179.45 178.72 1sfk h GLU 86 N 0.26 0.61 -0.66 1.90 4.39 0.56 0.25 114.58 121.89 1sfk h GLU 86 Ca 0.08 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.84 1sfk h GLU 86 Cb 0.37 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1sfk h GLU 86 CO 0.01 0.48 0.45 -0.07 -1.16 0.00 0.00 179.01 178.71 1sfk h LEU 87 N 0.57 0.32 0.04 1.33 3.38 -0.98 -2.00 115.31 117.97 1sfk h LEU 87 Ca 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sfk h LEU 87 Cb 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sfk h LEU 87 CO -0.03 0.18 -0.02 1.23 0.09 0.00 0.00 178.44 179.89 1sfk h GLY 88 N 0.34 -0.06 1.41 0.83 0.00 -0.32 -1.04 103.07 104.23 1sfk h GLY 88 Ca 0.32 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.72 1sfk h GLY 88 CO -0.08 -0.02 0.27 -0.84 0.00 0.00 0.00 176.54 175.86 1sfk h THR 89 N -0.09 0.96 0.04 4.70 2.02 -0.84 -0.91 112.91 118.78 1sfk h THR 89 Ca -0.01 -0.11 -0.24 0.00 0.77 0.00 0.00 66.41 66.82 1sfk h THR 89 Cb 0.08 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1sfk h THR 89 CO 0.01 0.06 -1.03 -0.07 0.37 0.00 0.00 175.52 174.85 1sfk h LEU 90 N 0.31 0.57 0.17 2.58 3.38 -1.08 -2.30 115.31 118.94 1sfk h LEU 90 Ca 0.17 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1sfk h LEU 90 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1sfk h LEU 90 CO -0.04 1.30 -0.08 0.71 0.09 0.00 0.00 178.44 180.43 1sfk h THR 91 N 0.22 0.91 -0.89 0.22 1.35 -0.50 -2.65 112.91 111.56 1sfk h THR 91 Ca -0.10 -1.03 0.22 0.00 -0.55 0.00 0.00 66.41 64.95 1sfk h THR 91 Cb 1.69 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 69.52 1sfk h THR 91 CO 0.18 0.21 0.60 -1.28 -0.25 0.00 0.00 175.52 174.99 1sfk h SER 92 N -0.78 0.30 -0.17 5.36 0.87 -1.29 0.15 113.55 117.99 1sfk h SER 92 Ca -0.02 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sfk h SER 92 Cb 0.52 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1sfk h SER 92 CO 0.04 0.11 0.11 0.00 -0.53 0.00 0.00 176.83 176.56 1sfk h ALA 93 N 1.60 0.22 0.00 6.23 0.00 -1.28 -2.85 119.26 123.18 1sfk h ALA 93 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1sfk h ALA 93 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sfk h ALA 93 CO -0.14 -0.28 0.00 -0.89 0.00 0.00 0.00 179.25 177.95 1sfk n ILE 94 N -4.95 0.58 0.38 0.00 2.08 0.47 -3.19 119.36 114.73 1sfk n ILE 94 Ca -0.04 0.15 0.14 0.00 0.56 0.00 0.00 62.75 63.55 1sfk n ILE 94 Cb 0.05 -0.81 0.47 0.00 -0.75 0.00 0.00 39.64 38.59 1sfk n ILE 94 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1sfk h ASN 95 N 0.00 0.00 0.00 4.38 -1.24 -1.12 -3.51 115.58 114.09 1sfk h ASN 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1sfk h ASN 95 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1sfk h ASN 95 CO 0.00 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.68