#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfk n SER 25 N 0.00 0.38 0.10 1.96 7.64 -1.26 -2.48 113.62 119.97 1sfk n SER 25 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1sfk n SER 25 Cb 0.00 1.18 -0.08 0.00 -1.01 0.00 0.00 64.21 64.30 1sfk n SER 25 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1sfk h LEU 26 N 0.00 -0.17 -0.55 -3.43 6.46 -2.04 2.23 115.31 117.81 1sfk h LEU 26 Ca -0.39 -0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.42 1sfk h LEU 26 Cb 1.87 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 41.74 1sfk h LEU 26 CO 0.02 -0.05 -0.24 0.74 -0.62 0.00 0.00 178.44 178.29 1sfk h THR 27 N -0.28 0.29 -0.75 1.05 2.02 -2.00 0.30 112.91 113.54 1sfk h THR 27 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1sfk h THR 27 Cb 0.22 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1sfk h THR 27 CO 0.03 0.00 0.50 1.23 0.37 0.00 0.00 175.52 177.65 1sfk h GLY 28 N -0.10 1.06 0.69 2.16 0.00 -1.14 -0.66 103.07 105.07 1sfk h GLY 28 Ca 0.25 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1sfk h GLY 28 CO -0.62 0.35 -0.33 -2.00 0.00 0.00 0.00 176.54 173.94 1sfk h LEU 29 N 0.97 -0.78 -0.63 3.11 5.85 0.59 -1.41 115.31 123.00 1sfk h LEU 29 Ca 0.29 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1sfk h LEU 29 Cb -0.03 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 1sfk h LEU 29 CO -0.07 -0.40 0.13 0.11 -0.34 0.00 0.00 178.44 177.87 1sfk h LYS 30 N -1.25 0.25 -0.85 1.25 1.79 -0.56 0.84 116.57 118.04 1sfk h LYS 30 Ca -0.09 -0.02 0.19 0.00 -2.18 0.00 0.00 60.65 58.55 1sfk h LYS 30 Cb 0.71 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.19 1sfk h LYS 30 CO 0.15 0.17 0.36 -0.09 -1.08 0.00 0.00 179.45 178.96 1sfk h ARG 31 N 0.26 0.43 0.63 3.15 2.43 -1.11 -0.66 114.38 119.51 1sfk h ARG 31 Ca 0.34 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1sfk h ARG 31 Cb 0.52 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1sfk h ARG 31 CO -0.43 0.28 -0.30 0.00 -1.51 0.00 0.00 179.97 178.01 1sfk h ALA 32 N 1.64 -0.84 -0.68 2.80 0.00 0.12 -2.75 119.26 119.55 1sfk h ALA 32 Ca 0.50 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.36 1sfk h ALA 32 Cb 0.87 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1sfk h ALA 32 CO -0.47 -0.79 0.11 1.98 0.00 0.00 0.00 179.25 180.07 1sfk h MET 33 N -1.20 0.21 0.40 0.00 1.85 -0.52 -0.41 114.93 115.27 1sfk h MET 33 Ca -0.09 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1sfk h MET 33 Cb 0.66 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 1sfk h MET 33 CO 0.14 0.14 -0.52 -0.07 -0.40 0.00 0.00 176.91 176.20 1sfk h LEU 34 N 0.21 -1.46 -1.43 3.39 3.38 -1.24 -2.59 115.31 115.57 1sfk h LEU 34 Ca 0.37 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.55 1sfk h LEU 34 Cb 0.62 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1sfk h LEU 34 CO -0.51 -0.64 0.64 0.28 0.09 0.00 0.00 178.44 178.29 1sfk h SER 35 N -0.95 0.00 0.17 -0.43 0.02 -0.77 -0.49 113.55 111.10 1sfk h SER 35 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1sfk h SER 35 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1sfk h SER 35 CO -0.13 0.00 -0.77 0.00 -1.14 0.00 0.00 176.83 174.79 1sfk n LEU 36 N -3.07 0.93 0.01 5.07 -0.00 -0.86 -3.71 117.00 115.36 1sfk n LEU 36 Ca 0.05 -0.35 -0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1sfk n LEU 36 Cb 0.75 -0.08 -0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1sfk n LEU 36 CO 0.16 0.22 0.14 0.40 -0.00 0.00 0.00 177.39 178.31 1sfk h ILE 37 N 0.24 0.00 -2.95 1.47 2.04 -0.84 -3.43 117.51 114.04 1sfk h ILE 37 Ca 0.00 -0.05 -0.62 0.00 1.00 0.00 0.00 64.86 65.19 1sfk h ILE 37 Cb 0.52 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1sfk h ILE 37 CO 0.00 0.00 -0.37 1.51 0.00 0.00 0.00 178.15 179.29 1sfk s ASP 38 N -2.89 6.50 -0.04 1.72 3.84 -1.06 -4.71 116.67 120.03 1sfk s ASP 38 Ca -0.00 0.57 0.01 0.00 -0.00 0.00 0.00 52.55 53.13 1sfk s ASP 38 Cb 0.00 -2.09 0.09 0.00 -1.38 0.00 0.00 42.92 39.54 1sfk s ASP 38 CO 0.01 0.22 0.90 0.61 -0.00 0.00 0.00 175.17 176.91 1sfk n GLY 39 N 0.97 2.01 1.93 2.12 0.00 -1.23 -4.03 105.19 106.95 1sfk n GLY 39 Ca -0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1sfk n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfk n ARG 40 N 0.20 0.11 0.00 1.61 1.74 -1.26 -4.85 116.66 114.20 1sfk n ARG 40 Ca 0.05 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.84 1sfk n ARG 40 Cb 0.51 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 1sfk n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfk n GLY 41 N 1.10 0.04 3.72 -0.13 0.00 -1.26 -4.38 105.19 104.28 1sfk n GLY 41 Ca 0.08 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.14 2.50 -0.20 1.61 -0.02 -1.26 -4.78 135.00 132.70 1sfk n PRO 42 Ca 0.00 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 1sfk n PRO 42 Cb 0.00 -2.64 0.09 0.00 -0.02 0.00 0.00 33.50 30.94 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 3.26 0.47 -0.11 3.45 2.02 -1.98 -0.13 112.91 119.90 1sfk h THR 43 Ca -0.46 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 66.55 1sfk h THR 43 Cb 1.24 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1sfk h THR 43 CO 0.78 0.02 -0.53 -0.09 0.37 0.00 0.00 175.52 176.07 1sfk h ARG 44 N 0.09 0.30 0.17 6.66 2.43 -1.96 -1.71 114.38 120.36 1sfk h ARG 44 Ca 0.32 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sfk h ARG 44 Cb 0.51 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1sfk h ARG 44 CO -0.55 0.76 -0.08 0.35 -1.51 0.00 0.00 179.97 178.94 1sfk h PHE 45 N 0.24 -0.21 -0.83 2.20 3.57 -1.43 0.52 116.94 120.99 1sfk h PHE 45 Ca 0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1sfk h PHE 45 Cb 1.01 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1sfk h PHE 45 CO 0.02 -0.09 0.42 0.28 -2.23 0.00 0.00 178.31 176.71 1sfk h VAL 46 N -0.28 1.25 -0.24 1.41 2.07 -1.14 0.30 116.25 119.62 1sfk h VAL 46 Ca -0.02 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1sfk h VAL 46 Cb 0.22 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1sfk h VAL 46 CO 0.04 0.30 0.12 -0.07 0.02 0.00 0.00 177.57 177.98 1sfk h LEU 47 N 1.18 0.32 -0.39 2.57 3.38 -1.18 0.47 115.31 121.65 1sfk h LEU 47 Ca 0.29 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1sfk h LEU 47 Cb 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1sfk h LEU 47 CO -0.04 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.77 1sfk h ALA 48 N 0.99 0.30 -0.35 1.53 0.00 0.76 -0.17 119.26 122.32 1sfk h ALA 48 Ca 0.08 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1sfk h ALA 48 Cb 0.10 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1sfk h ALA 48 CO -0.01 -0.43 -0.22 1.25 0.00 0.00 0.00 179.25 179.84 1sfk h LEU 49 N 0.04 -0.73 -0.32 0.00 5.85 -0.24 -0.16 115.31 119.76 1sfk h LEU 49 Ca 0.19 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1sfk h LEU 49 Cb 0.28 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1sfk h LEU 49 CO -0.37 -0.25 -0.09 0.25 -0.34 0.00 0.00 178.44 177.64 1sfk h LEU 50 N -0.17 -0.34 -0.35 2.25 7.12 0.24 0.11 115.31 124.16 1sfk h LEU 50 Ca 0.18 0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.35 1sfk h LEU 50 Cb 0.44 0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 1sfk h LEU 50 CO -0.45 -0.12 -0.05 0.00 -0.13 0.00 0.00 178.44 177.69 1sfk h ALA 51 N 1.28 0.27 -0.81 1.25 0.00 -0.62 -1.43 119.26 119.21 1sfk h ALA 51 Ca 0.15 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1sfk h ALA 51 Cb 0.26 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1sfk h ALA 51 CO -0.34 -0.44 0.52 0.35 0.00 0.00 0.00 179.25 179.34 1sfk h PHE 52 N 0.04 0.97 0.00 0.00 3.04 -0.23 0.30 116.94 121.06 1sfk h PHE 52 Ca 0.17 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1sfk h PHE 52 Cb 0.25 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1sfk h PHE 52 CO -0.29 0.56 0.00 0.74 -2.02 0.00 0.00 178.31 177.30 1sfk h PHE 53 N 1.01 0.00 0.08 0.41 -1.00 -0.25 -1.40 116.94 115.79 1sfk h PHE 53 Ca 0.32 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.73 1sfk h PHE 53 Cb 0.01 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1sfk h PHE 53 CO -0.03 0.00 -2.15 -2.13 -1.61 0.00 0.00 178.31 172.40 1sfk n ARG 54 N -2.45 0.72 0.34 1.51 0.63 -0.38 -2.43 116.66 114.60 1sfk n ARG 54 Ca 0.01 0.23 -0.17 0.00 -0.92 0.00 0.00 57.85 56.99 1sfk n ARG 54 Cb 0.22 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 1sfk n ARG 54 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1sfk h PHE 55 N 0.05 -0.93 -3.73 -0.14 0.05 -0.12 -3.37 116.94 108.75 1sfk h PHE 55 Ca -0.47 -0.01 -0.50 0.00 3.82 0.00 0.00 57.97 60.81 1sfk h PHE 55 Cb 2.00 0.33 -0.00 0.00 2.00 0.00 0.00 35.95 40.27 1sfk h PHE 55 CO 0.06 -0.54 0.41 0.99 -0.18 0.00 0.00 178.31 179.05 1sfk s THR 56 N -6.03 3.87 -1.22 -1.55 2.01 -0.56 -4.94 115.64 107.22 1sfk s THR 56 Ca -0.18 1.81 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 1sfk s THR 56 Cb 0.04 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 1sfk s THR 56 CO 0.62 0.40 2.42 0.00 -0.69 0.00 0.00 174.62 177.38 1sfk n ALA 57 N 1.62 5.72 -3.00 7.40 0.00 -1.26 -4.52 120.51 126.47 1sfk n ALA 57 Ca -0.01 -2.89 -0.32 0.00 0.00 0.00 0.00 53.44 50.22 1sfk n ALA 57 Cb 0.46 -3.26 -0.15 0.00 0.00 0.00 0.00 19.45 16.50 1sfk n ALA 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfk s ILE 58 N 3.09 2.69 -0.31 0.00 1.01 -1.02 -5.08 121.20 121.58 1sfk s ILE 58 Ca 0.53 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 1sfk s ILE 58 Cb 0.14 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1sfk s ILE 58 CO -0.03 0.55 1.33 0.00 0.00 0.00 0.00 174.94 176.79 1sfk s ALA 59 N 0.16 3.31 0.77 9.38 0.00 -1.26 -4.45 121.76 129.67 1sfk s ALA 59 Ca -0.09 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1sfk s ALA 59 Cb -0.16 -3.80 0.06 0.00 0.00 0.00 0.00 23.12 19.22 1sfk s ALA 59 CO 0.06 -1.88 1.17 -0.35 0.00 0.00 0.00 175.76 174.76 1sfk n PRO 60 N 7.45 0.38 -2.18 0.00 -0.04 -1.26 -4.97 135.00 134.39 1sfk n PRO 60 Ca 0.15 0.20 -0.38 0.00 -0.04 0.00 0.00 63.50 63.44 1sfk n PRO 60 Cb 0.47 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1sfk n PRO 60 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sfk s THR 61 N -1.95 2.92 0.30 0.52 -4.23 -1.26 -4.80 115.64 107.13 1sfk s THR 61 Ca 0.75 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 62.03 1sfk s THR 61 Cb -0.31 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.44 1sfk s THR 61 CO 0.49 0.02 1.75 0.03 -0.54 0.00 0.00 174.62 176.37 1sfk h ARG 62 N 2.14 0.64 0.00 3.99 3.08 -1.93 0.13 114.38 122.42 1sfk h ARG 62 Ca -0.49 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.47 1sfk h ARG 62 Cb 1.25 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1sfk h ARG 62 CO 0.60 0.42 -0.24 0.00 -1.07 0.00 0.00 179.97 179.69 1sfk h ALA 63 N 1.66 1.55 0.11 0.04 0.00 -1.84 0.24 119.26 121.02 1sfk h ALA 63 Ca 0.57 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1sfk h ALA 63 Cb 0.94 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1sfk h ALA 63 CO -0.42 0.30 -0.68 0.28 0.00 0.00 0.00 179.25 178.73 1sfk h VAL 64 N 0.00 1.55 -0.34 0.00 2.07 -1.08 -3.19 116.25 115.26 1sfk h VAL 64 Ca -0.00 -2.46 0.03 0.00 0.82 0.00 0.00 66.70 65.09 1sfk h VAL 64 Cb 0.44 3.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1sfk h VAL 64 CO 0.03 0.69 0.13 0.25 0.02 0.00 0.00 177.57 178.69 1sfk h LEU 65 N -0.43 0.16 -2.15 2.57 7.12 -1.00 -2.43 115.31 119.15 1sfk h LEU 65 Ca -0.12 0.03 0.05 0.00 0.13 0.00 0.00 57.88 57.97 1sfk h LEU 65 Cb 1.52 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 1sfk h LEU 65 CO 0.13 0.13 0.13 0.44 -0.13 0.00 0.00 178.44 179.14 1sfk h ASP 66 N 0.29 0.00 0.38 1.25 3.45 -0.61 -1.89 116.42 119.28 1sfk h ASP 66 Ca 0.15 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.30 1sfk h ASP 66 Cb 0.11 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1sfk h ASP 66 CO -0.14 0.00 -1.35 -0.09 -1.57 0.00 0.00 179.24 176.10 1sfk h ARG 67 N 0.00 0.45 0.00 3.56 9.65 -1.43 -3.22 114.38 123.39 1sfk h ARG 67 Ca 0.07 -0.73 0.00 0.00 -1.10 0.00 0.00 59.98 58.22 1sfk h ARG 67 Cb 0.34 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1sfk h ARG 67 CO -0.00 1.34 0.04 2.35 2.80 0.00 0.00 179.97 186.51 1sfk h TRP 68 N 0.14 0.00 0.00 2.20 2.91 -0.95 0.94 115.95 121.19 1sfk h TRP 68 Ca -0.20 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.82 1sfk h TRP 68 Cb 2.04 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.69 1sfk h TRP 68 CO 0.10 0.00 -0.72 0.54 -1.03 0.00 0.00 178.44 177.33 1sfk n ARG 69 N -2.87 0.14 -0.03 2.65 1.74 -1.17 -4.33 116.66 112.78 1sfk n ARG 69 Ca -0.03 0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1sfk n ARG 69 Cb 0.10 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 29.88 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 -1.74 2.07 -4.52 0.55 3.41 0.21 -5.03 113.62 108.56 1sfk n SER 70 Ca 0.04 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.19 1sfk n SER 70 Cb 0.38 1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 65.58 1sfk n SER 70 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sfk n VAL 71 N -2.15 1.93 -1.89 -3.33 0.31 -0.51 -4.86 118.33 107.84 1sfk n VAL 71 Ca -0.09 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.33 1sfk n VAL 71 Cb 0.56 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.83 1sfk n VAL 71 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1sfk s ASN 72 N -0.69 6.59 0.08 4.52 3.04 -1.26 -4.86 114.94 122.36 1sfk s ASN 72 Ca 0.61 2.42 -0.16 0.00 0.04 0.00 0.00 52.86 55.77 1sfk s ASN 72 Cb -0.79 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.34 1sfk s ASN 72 CO 0.58 -0.96 0.87 1.17 -3.04 0.00 0.00 177.10 175.72 1sfk n LYS 73 N 6.98 -0.23 -0.00 0.43 4.81 -1.26 0.28 118.16 129.17 1sfk n LYS 73 Ca 0.18 0.85 -0.11 0.00 -0.87 0.00 0.00 58.31 58.36 1sfk n LYS 73 Cb 0.42 -1.26 -0.06 0.00 0.02 0.00 0.00 35.03 34.16 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 0.13 -0.15 1.64 5.75 -2.00 -0.87 115.11 119.62 1sfk h GLN 74 Ca 0.08 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 1sfk h GLN 74 Cb 0.21 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1sfk h GLN 74 CO -0.49 0.14 -0.57 1.79 -2.65 0.00 0.00 178.83 177.05 1sfk h THR 75 N 0.08 1.34 -0.78 2.39 1.35 -1.70 -1.97 112.91 113.62 1sfk h THR 75 Ca 0.03 -1.86 0.06 0.00 -0.55 0.00 0.00 66.41 64.10 1sfk h THR 75 Cb 0.05 1.85 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 1sfk h THR 75 CO -0.01 0.57 0.46 0.00 -0.25 0.00 0.00 175.52 176.30 1sfk h ALA 76 N 1.03 1.07 -0.10 6.62 0.00 0.00 -2.09 119.26 125.79 1sfk h ALA 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sfk h ALA 76 Cb 1.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1sfk h ALA 76 CO 0.10 0.17 0.02 1.98 0.00 0.00 0.00 179.25 181.53 1sfk h MET 77 N 0.84 0.16 -0.68 0.00 -1.53 -0.97 -2.23 114.93 110.52 1sfk h MET 77 Ca 0.35 -0.04 0.14 0.00 -3.44 0.00 0.00 59.70 56.71 1sfk h MET 77 Cb 0.19 -0.02 -0.12 0.00 -0.55 0.00 0.00 31.60 31.10 1sfk h MET 77 CO -0.18 0.34 -0.09 -0.22 0.14 0.00 0.00 176.91 176.89 1sfk h LYS 78 N -0.05 0.04 0.16 0.39 3.64 -0.80 -1.11 116.57 118.84 1sfk h LYS 78 Ca 0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1sfk h LYS 78 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1sfk h LYS 78 CO 0.00 0.03 -0.08 0.45 -2.27 0.00 0.00 179.45 177.58 1sfk h HIS 79 N 0.05 -0.20 -1.02 1.91 3.86 -1.29 -2.73 115.15 115.73 1sfk h HIS 79 Ca 0.34 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.80 1sfk h HIS 79 Cb 0.56 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.00 1sfk h HIS 79 CO -0.48 0.22 0.64 -0.07 0.86 0.00 0.00 177.93 179.10 1sfk h LEU 80 N -0.73 0.52 -0.82 2.43 3.38 -1.12 0.13 115.31 119.10 1sfk h LEU 80 Ca -0.02 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1sfk h LEU 80 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1sfk h LEU 80 CO 0.04 0.12 -0.40 -0.07 0.09 0.00 0.00 178.44 178.22 1sfk h LEU 81 N 0.47 0.41 -0.51 1.67 3.38 -1.08 -1.34 115.31 118.31 1sfk h LEU 81 Ca 0.59 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 1sfk h LEU 81 Cb 1.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1sfk h LEU 81 CO -0.32 0.77 -0.55 -1.28 0.09 0.00 0.00 178.44 177.16 1sfk h SER 82 N 0.33 0.63 -0.30 -0.43 0.87 -0.50 -1.85 113.55 112.29 1sfk h SER 82 Ca 0.03 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1sfk h SER 82 Cb 0.85 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1sfk h SER 82 CO 0.07 1.05 0.18 -0.26 -0.53 0.00 0.00 176.83 177.34 1sfk h PHE 83 N 0.43 0.40 -0.98 2.24 0.04 -0.66 -0.82 116.94 117.59 1sfk h PHE 83 Ca 0.01 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.88 1sfk h PHE 83 Cb 1.09 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 39.03 1sfk h PHE 83 CO 0.05 0.30 0.63 0.87 -0.60 0.00 0.00 178.31 179.55 1sfk h LYS 84 N 0.39 0.99 -0.19 1.51 1.57 -0.99 0.32 116.57 120.16 1sfk h LYS 84 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1sfk h LYS 84 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1sfk h LYS 84 CO -0.02 0.66 0.09 -0.22 -0.57 0.00 0.00 179.45 179.39 1sfk h LYS 85 N 1.02 0.28 -0.19 3.15 1.63 -0.86 -2.40 116.57 119.20 1sfk h LYS 85 Ca 0.46 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1sfk h LYS 85 Cb 0.39 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1sfk h LYS 85 CO -0.22 0.31 0.11 0.93 -3.45 0.00 0.00 179.45 177.13 1sfk h GLU 86 N 0.18 0.25 -0.94 1.90 4.39 0.37 -0.82 114.58 119.91 1sfk h GLU 86 Ca 0.07 -0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.94 1sfk h GLU 86 Cb 0.13 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 1sfk h GLU 86 CO -0.01 0.21 0.60 -0.07 -1.16 0.00 0.00 179.01 178.59 1sfk h LEU 87 N 0.22 0.55 -0.23 1.33 3.38 -0.98 -1.82 115.31 117.77 1sfk h LEU 87 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1sfk h LEU 87 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1sfk h LEU 87 CO -0.01 0.22 0.11 1.23 0.09 0.00 0.00 178.44 180.07 1sfk h GLY 88 N 0.55 0.36 0.38 0.83 0.00 -0.63 0.53 103.07 105.09 1sfk h GLY 88 Ca 0.50 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.77 1sfk h GLY 88 CO -0.24 0.17 0.49 -0.84 0.00 0.00 0.00 176.54 176.13 1sfk h THR 89 N 0.23 0.83 -0.21 4.70 2.02 -0.83 0.57 112.91 120.22 1sfk h THR 89 Ca 0.08 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 1sfk h THR 89 Cb 0.13 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1sfk h THR 89 CO -0.01 0.14 -0.63 -0.07 0.37 0.00 0.00 175.52 175.32 1sfk h LEU 90 N 0.76 0.85 0.31 2.58 -0.00 -1.10 -2.32 115.31 116.39 1sfk h LEU 90 Ca 0.45 -0.49 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1sfk h LEU 90 Cb 0.52 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1sfk h LEU 90 CO -0.30 1.26 -0.15 0.74 -0.00 0.00 0.00 178.44 179.99 1sfk h THR 91 N 0.55 0.60 -0.14 0.22 2.02 -0.21 -2.83 112.91 113.11 1sfk h THR 91 Ca -0.01 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1sfk h THR 91 Cb 1.22 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1sfk h THR 91 CO 0.13 0.12 0.13 0.28 0.37 0.00 0.00 175.52 176.55 1sfk h SER 92 N -0.87 0.00 -0.08 4.18 0.02 -1.00 0.45 113.55 116.25 1sfk h SER 92 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1sfk h SER 92 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1sfk h SER 92 CO 0.07 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 175.80 1sfk h ALA 93 N 1.87 0.09 0.00 3.77 0.00 -1.37 -2.89 119.26 120.73 1sfk h ALA 93 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sfk h ALA 93 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sfk h ALA 93 CO -0.00 -0.43 0.00 -0.89 0.00 0.00 0.00 179.25 177.93 1sfk n ILE 94 N -5.06 0.94 0.26 0.00 5.41 0.12 -3.30 119.36 117.73 1sfk n ILE 94 Ca -0.05 0.24 0.15 0.00 1.00 0.00 0.00 62.75 64.09 1sfk n ILE 94 Cb 0.04 -0.99 0.56 0.00 -0.71 0.00 0.00 39.64 38.53 1sfk n ILE 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1sfk h ASN 95 N 0.00 0.00 0.00 4.38 -1.24 -1.24 -3.52 115.58 113.97 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 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1sfk h ASN 95 CO 0.00 0.03 0.00 -2.11 -1.29 0.00 0.00 177.43 174.06