#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfk h SER 25 N 0.00 0.25 -0.87 1.96 4.64 -2.05 -2.87 113.55 114.61 1sfk h SER 25 Ca 0.00 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1sfk h SER 25 Cb 0.00 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1sfk h SER 25 CO 0.00 1.13 0.44 0.25 -0.87 0.00 0.00 176.83 177.79 1sfk h LEU 26 N 0.07 1.11 -0.37 5.97 5.85 -2.05 1.18 115.31 127.08 1sfk h LEU 26 Ca -0.07 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1sfk h LEU 26 Cb 1.75 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1sfk h LEU 26 CO 0.16 0.92 -0.03 0.00 -0.34 0.00 0.00 178.44 179.14 1sfk h THR 27 N 1.23 0.69 0.00 1.05 1.03 -2.00 -0.93 112.91 113.98 1sfk h THR 27 Ca 0.30 -0.02 -0.03 0.00 -0.01 0.00 0.00 66.41 66.65 1sfk h THR 27 Cb 0.08 0.62 -0.00 0.00 -1.07 0.00 0.00 68.15 67.78 1sfk h THR 27 CO -0.04 0.01 -0.12 1.23 -0.01 0.00 0.00 175.52 176.58 1sfk h GLY 28 N 0.06 0.00 0.30 2.99 0.00 -0.91 -1.69 103.07 103.83 1sfk h GLY 28 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1sfk h GLY 28 CO -0.33 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.56 1sfk h LEU 29 N 0.00 -0.15 -0.61 3.11 3.38 0.25 -1.26 115.31 120.03 1sfk h LEU 29 Ca -0.00 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1sfk h LEU 29 Cb 0.39 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1sfk h LEU 29 CO 0.02 0.44 0.29 0.11 0.09 0.00 0.00 178.44 179.39 1sfk h LYS 30 N -0.88 0.51 -0.83 1.13 1.79 -1.27 0.18 116.57 117.19 1sfk h LYS 30 Ca -0.02 -0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.58 1sfk h LYS 30 Cb 0.53 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.97 1sfk h LYS 30 CO 0.03 0.34 0.40 -0.09 -1.08 0.00 0.00 179.45 179.04 1sfk h ARG 31 N 0.53 0.53 0.48 3.15 2.43 -1.33 -0.77 114.38 119.39 1sfk h ARG 31 Ca 0.29 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1sfk h ARG 31 Cb 0.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sfk h ARG 31 CO -0.23 0.35 -0.23 0.00 -1.51 0.00 0.00 179.97 178.35 1sfk h ALA 32 N 1.58 -0.64 -1.00 2.80 0.00 0.03 -2.61 119.26 119.41 1sfk h ALA 32 Ca 0.47 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.39 1sfk h ALA 32 Cb 0.72 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1sfk h ALA 32 CO -0.40 -0.69 0.61 1.98 0.00 0.00 0.00 179.25 180.75 1sfk h MET 33 N -0.97 0.69 0.56 0.00 1.85 -0.49 -0.03 114.93 116.53 1sfk h MET 33 Ca -0.07 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 1sfk h MET 33 Cb 0.59 -0.15 0.01 0.00 0.43 0.00 0.00 31.60 32.47 1sfk h MET 33 CO 0.11 0.45 -0.27 -0.07 -0.40 0.00 0.00 176.91 176.73 1sfk h LEU 34 N 0.71 -0.63 -0.60 3.39 4.07 -1.20 -2.42 115.31 118.63 1sfk h LEU 34 Ca 0.59 0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.68 1sfk h LEU 34 Cb 0.99 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1sfk h LEU 34 CO -0.39 -0.44 1.01 0.28 -1.08 0.00 0.00 178.44 177.82 1sfk h SER 35 N -0.78 0.00 0.29 -0.43 0.02 -1.00 -2.43 113.55 109.22 1sfk h SER 35 Ca -0.08 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.54 1sfk h SER 35 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1sfk h SER 35 CO 0.13 0.00 -1.75 0.25 -1.14 0.00 0.00 176.83 174.31 1sfk h LEU 36 N 0.00 0.40 0.00 5.07 5.85 -0.53 -3.29 115.31 122.81 1sfk h LEU 36 Ca 0.18 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1sfk h LEU 36 Cb 2.19 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1sfk h LEU 36 CO -0.00 1.60 -0.13 0.16 -0.34 0.00 0.00 178.44 179.73 1sfk h ILE 37 N 0.07 0.00 -3.29 4.05 3.07 -1.15 -3.43 117.51 116.82 1sfk h ILE 37 Ca -0.33 -0.83 -0.59 0.00 1.55 0.00 0.00 64.86 64.66 1sfk h ILE 37 Cb 2.04 0.00 -0.10 0.00 -0.27 0.00 0.00 36.82 38.50 1sfk h ILE 37 CO 0.13 0.00 -0.29 1.51 -1.05 0.00 0.00 178.15 178.45 1sfk s ASP 38 N -5.19 6.48 0.00 2.16 1.47 -0.95 -4.56 116.67 116.08 1sfk s ASP 38 Ca -0.04 0.57 0.00 0.00 1.18 0.00 0.00 52.55 54.26 1sfk s ASP 38 Cb 0.01 -2.20 0.00 0.00 -0.34 0.00 0.00 42.92 40.38 1sfk s ASP 38 CO 0.06 0.08 0.63 0.61 0.68 0.00 0.00 175.17 177.23 1sfk n GLY 39 N 3.35 0.52 1.56 2.12 0.00 -1.24 -3.55 105.19 107.95 1sfk n GLY 39 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 -0.21 0.00 1.61 1.74 -1.26 -4.83 116.66 113.55 1sfk n ARG 40 Ca 0.00 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1sfk n ARG 40 Cb 0.14 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 1.65 -3.37 3.73 -0.13 0.00 -1.26 -4.18 105.19 101.63 1sfk n GLY 41 Ca 0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1sfk n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sfk s PRO 42 N -0.78 4.15 0.21 1.61 0.05 -1.26 -4.78 135.00 134.20 1sfk s PRO 42 Ca 0.00 2.53 -0.16 0.00 0.05 0.00 0.00 61.00 63.42 1sfk s PRO 42 Cb 0.00 -3.07 0.22 0.00 0.05 0.00 0.00 34.50 31.69 1sfk s PRO 42 CO 0.00 -0.66 1.60 1.15 0.05 0.00 0.00 177.00 179.14 1sfk h THR 43 N 3.68 0.21 0.00 1.26 2.02 -1.98 0.15 112.91 118.25 1sfk h THR 43 Ca -0.45 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 1sfk h THR 43 Cb 1.21 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1sfk h THR 43 CO 0.88 0.00 -0.54 -0.09 0.37 0.00 0.00 175.52 176.14 1sfk h ARG 44 N -0.07 0.00 -0.08 6.66 2.43 -1.97 -1.97 114.38 119.38 1sfk h ARG 44 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1sfk h ARG 44 Cb 0.54 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1sfk h ARG 44 CO -0.73 0.54 0.04 0.35 -1.51 0.00 0.00 179.97 178.66 1sfk h PHE 45 N 0.00 0.11 -0.87 2.20 3.57 -1.12 0.43 116.94 121.26 1sfk h PHE 45 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1sfk h PHE 45 Cb 1.04 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1sfk h PHE 45 CO 0.00 0.17 0.46 0.28 -2.23 0.00 0.00 178.31 176.99 1sfk h VAL 46 N 0.01 1.26 -0.48 1.41 2.07 -1.05 0.24 116.25 119.70 1sfk h VAL 46 Ca 0.03 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1sfk h VAL 46 Cb 0.11 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1sfk h VAL 46 CO -0.00 0.29 0.06 -0.07 0.02 0.00 0.00 177.57 177.88 1sfk h LEU 47 N 1.22 0.78 -0.09 2.57 3.38 -1.22 -0.29 115.31 121.67 1sfk h LEU 47 Ca 0.30 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1sfk h LEU 47 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1sfk h LEU 47 CO -0.05 0.85 -0.13 0.00 0.09 0.00 0.00 178.44 179.21 1sfk h ALA 48 N 0.96 -0.08 -0.47 1.53 0.00 0.33 -0.14 119.26 121.40 1sfk h ALA 48 Ca 0.15 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1sfk h ALA 48 Cb 0.41 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1sfk h ALA 48 CO 0.01 -0.60 -0.12 1.25 0.00 0.00 0.00 179.25 179.80 1sfk h LEU 49 N -0.18 -0.44 -0.48 0.00 5.85 -0.41 -0.01 115.31 119.63 1sfk h LEU 49 Ca 0.08 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1sfk h LEU 49 Cb 0.29 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1sfk h LEU 49 CO -0.20 -0.16 0.20 0.25 -0.34 0.00 0.00 178.44 178.20 1sfk h LEU 50 N -0.00 0.25 -0.15 2.25 5.85 -0.44 0.64 115.31 123.71 1sfk h LEU 50 Ca 0.22 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1sfk h LEU 50 Cb 0.34 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1sfk h LEU 50 CO -0.48 0.18 -0.07 0.00 -0.34 0.00 0.00 178.44 177.72 1sfk h ALA 51 N 1.29 0.05 -0.52 1.25 0.00 -0.48 -1.61 119.26 119.25 1sfk h ALA 51 Ca 0.22 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1sfk h ALA 51 Cb 0.19 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1sfk h ALA 51 CO -0.20 -0.52 0.13 0.35 0.00 0.00 0.00 179.25 179.02 1sfk h PHE 52 N -0.06 0.22 0.00 0.00 3.04 -0.25 0.28 116.94 120.16 1sfk h PHE 52 Ca 0.08 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1sfk h PHE 52 Cb 0.18 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1sfk h PHE 52 CO -0.21 0.02 0.00 0.74 -2.02 0.00 0.00 178.31 176.84 1sfk h PHE 53 N 0.28 0.00 0.07 0.41 0.04 -0.57 -1.14 116.94 116.03 1sfk h PHE 53 Ca 0.26 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.67 1sfk h PHE 53 Cb 0.34 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 1sfk h PHE 53 CO -0.21 0.00 -2.11 0.54 -0.60 0.00 0.00 178.31 175.92 1sfk n ARG 54 N -2.57 0.71 0.30 1.51 3.00 -0.22 -2.44 116.66 116.95 1sfk n ARG 54 Ca 0.00 0.22 -0.17 0.00 -0.01 0.00 0.00 57.85 57.90 1sfk n ARG 54 Cb 0.19 -1.66 -0.08 0.00 0.00 0.00 0.00 32.46 30.91 1sfk n ARG 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1sfk h PHE 55 N 0.04 -0.89 -3.70 -1.55 -1.00 0.03 -3.37 116.94 106.50 1sfk h PHE 55 Ca -0.46 -0.01 -0.50 0.00 2.81 0.00 0.00 57.97 59.82 1sfk h PHE 55 Cb 2.01 0.32 -0.02 0.00 3.61 0.00 0.00 35.95 41.87 1sfk h PHE 55 CO 0.05 -0.51 0.36 0.95 -1.61 0.00 0.00 178.31 177.55 1sfk s THR 56 N -6.03 4.17 -1.36 -1.55 -4.23 -0.48 -4.94 115.64 101.22 1sfk s THR 56 Ca -0.17 2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 62.32 1sfk s THR 56 Cb 0.05 -4.32 -0.07 0.00 1.34 0.00 0.00 72.50 69.50 1sfk s THR 56 CO 0.63 0.45 2.59 0.00 -0.54 0.00 0.00 174.62 177.74 1sfk n ALA 57 N 1.83 6.32 -2.51 3.99 0.00 -1.26 -4.52 120.51 124.37 1sfk n ALA 57 Ca -0.01 -3.07 -0.33 0.00 0.00 0.00 0.00 53.44 50.03 1sfk n ALA 57 Cb 0.48 -3.29 -0.14 0.00 0.00 0.00 0.00 19.45 16.50 1sfk n ALA 57 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sfk s ILE 58 N 2.77 2.92 -0.20 0.00 -4.36 -1.02 -5.08 121.20 116.23 1sfk s ILE 58 Ca 0.58 -0.77 -0.29 0.00 -0.26 0.00 0.00 60.65 59.90 1sfk s ILE 58 Cb 0.15 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1sfk s ILE 58 CO -0.05 0.58 1.09 0.00 0.24 0.00 0.00 174.94 176.81 1sfk s ALA 59 N -0.62 3.65 0.70 2.27 0.00 -1.26 -4.45 121.76 122.06 1sfk s ALA 59 Ca 0.09 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 1sfk s ALA 59 Cb -0.11 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1sfk s ALA 59 CO 0.01 -1.03 1.17 -2.14 0.00 0.00 0.00 175.76 173.77 1sfk s PRO 60 N 3.13 2.38 0.45 0.00 0.02 -1.26 -4.97 135.00 134.76 1sfk s PRO 60 Ca 0.47 1.62 -0.24 0.00 0.02 0.00 0.00 61.00 62.87 1sfk s PRO 60 Cb -0.17 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1sfk s PRO 60 CO 0.09 -1.62 1.21 0.95 -0.33 0.00 0.00 177.00 177.31 1sfk s THR 61 N -2.12 2.90 0.29 0.99 -4.23 -1.26 -4.79 115.64 107.41 1sfk s THR 61 Ca 0.71 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 61.96 1sfk s THR 61 Cb -0.26 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.52 1sfk s THR 61 CO 0.44 0.02 1.65 0.03 -0.54 0.00 0.00 174.62 176.22 1sfk h ARG 62 N 2.16 0.22 -0.42 3.99 2.47 -1.93 0.24 114.38 121.11 1sfk h ARG 62 Ca -0.49 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1sfk h ARG 62 Cb 1.25 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1sfk h ARG 62 CO 0.60 0.15 0.25 0.00 0.56 0.00 0.00 179.97 181.53 1sfk h ALA 63 N 1.78 1.66 0.08 0.04 0.00 -1.87 0.26 119.26 121.22 1sfk h ALA 63 Ca 0.57 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 1sfk h ALA 63 Cb 1.16 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1sfk h ALA 63 CO -0.65 0.30 -0.56 0.28 0.00 0.00 0.00 179.25 178.62 1sfk h VAL 64 N 0.57 1.56 -0.23 0.00 2.07 -0.87 -3.19 116.25 116.16 1sfk h VAL 64 Ca 0.15 -2.38 0.02 0.00 0.82 0.00 0.00 66.70 65.31 1sfk h VAL 64 Cb -0.02 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1sfk h VAL 64 CO -0.03 0.66 0.09 0.25 0.02 0.00 0.00 177.57 178.56 1sfk h LEU 65 N -0.48 0.10 -2.06 2.57 7.12 -0.90 -2.28 115.31 119.39 1sfk h LEU 65 Ca -0.09 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.04 1sfk h LEU 65 Cb 1.40 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.53 1sfk h LEU 65 CO 0.11 0.09 0.30 0.44 -0.13 0.00 0.00 178.44 179.25 1sfk h ASP 66 N 0.20 0.00 0.50 1.25 3.45 -0.58 -1.98 116.42 119.26 1sfk h ASP 66 Ca 0.10 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.26 1sfk h ASP 66 Cb 0.06 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1sfk h ASP 66 CO -0.10 0.00 -1.40 -0.09 -1.57 0.00 0.00 179.24 176.08 1sfk h ARG 67 N 0.00 0.30 0.00 3.56 9.65 -1.41 -3.26 114.38 123.22 1sfk h ARG 67 Ca 0.17 -0.52 -0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1sfk h ARG 67 Cb 0.77 0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1sfk h ARG 67 CO -0.00 1.21 -0.01 2.35 2.80 0.00 0.00 179.97 186.32 1sfk h TRP 68 N 0.08 0.00 -0.00 2.20 2.91 -0.94 0.15 115.95 120.35 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 2.02 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.67 1sfk h TRP 68 CO 0.07 0.01 -0.34 0.54 -1.03 0.00 0.00 178.44 177.69 1sfk n ARG 69 N -3.42 0.04 -0.04 2.65 1.74 -1.16 -4.26 116.66 112.22 1sfk n ARG 69 Ca -0.03 -0.02 -0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1sfk n ARG 69 Cb 0.09 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.46 1.84 -4.56 0.55 3.41 0.39 -5.03 113.62 108.76 1sfk n SER 70 Ca 0.06 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.22 1sfk n SER 70 Cb 0.33 1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.25 1.93 -1.82 -3.33 0.24 -0.42 -4.86 118.33 107.83 1sfk n VAL 71 Ca -0.12 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.27 1sfk n VAL 71 Cb 0.66 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 1sfk n VAL 71 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1sfk s ASN 72 N -0.60 6.54 0.13 -1.34 3.04 -1.26 -4.85 114.94 116.59 1sfk s ASN 72 Ca 0.60 2.50 -0.22 0.00 0.04 0.00 0.00 52.86 55.78 1sfk s ASN 72 Cb -0.75 -2.53 -0.03 0.00 -1.54 0.00 0.00 41.25 36.40 1sfk s ASN 72 CO 0.59 -0.99 1.16 1.17 -3.04 0.00 0.00 177.10 175.99 1sfk n LYS 73 N 7.19 -0.31 0.04 0.43 4.81 -1.26 0.45 118.16 129.50 1sfk n LYS 73 Ca 0.19 1.14 -0.12 0.00 -0.87 0.00 0.00 58.31 58.64 1sfk n LYS 73 Cb 0.42 -1.68 -0.07 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.01 -0.41 1.64 5.75 -2.00 -1.09 115.11 119.00 1sfk h GLN 74 Ca 0.14 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1sfk h GLN 74 Cb 0.32 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1sfk h GLN 74 CO -0.71 0.04 0.18 1.15 -2.65 0.00 0.00 178.83 176.83 1sfk h THR 75 N -0.05 1.19 -0.99 2.39 2.02 -1.70 -1.57 112.91 114.20 1sfk h THR 75 Ca -0.00 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1sfk h THR 75 Cb 0.05 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1sfk h THR 75 CO 0.00 0.21 0.64 0.00 0.37 0.00 0.00 175.52 176.74 1sfk h ALA 76 N 1.02 1.36 0.20 6.16 0.00 0.20 -2.08 119.26 126.12 1sfk h ALA 76 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sfk h ALA 76 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sfk h ALA 76 CO -0.01 0.46 -0.10 1.98 0.00 0.00 0.00 179.25 181.58 1sfk h MET 77 N 1.19 -0.26 -0.87 0.00 -1.53 -0.96 -1.94 114.93 110.56 1sfk h MET 77 Ca 0.42 0.02 0.23 0.00 -3.44 0.00 0.00 59.70 56.93 1sfk h MET 77 Cb 0.12 0.06 -0.15 0.00 -0.55 0.00 0.00 31.60 31.08 1sfk h MET 77 CO -0.16 -0.01 0.15 -0.22 0.14 0.00 0.00 176.91 176.81 1sfk h LYS 78 N -0.49 0.13 0.03 0.39 3.64 -0.64 -0.86 116.57 118.77 1sfk h LYS 78 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1sfk h LYS 78 Cb 0.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1sfk h LYS 78 CO 0.05 0.09 -0.01 0.45 -2.27 0.00 0.00 179.45 177.75 1sfk h HIS 79 N 0.14 -0.03 -0.77 1.91 3.86 -1.24 -2.83 115.15 116.18 1sfk h HIS 79 Ca 0.54 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.88 1sfk h HIS 79 Cb 1.07 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.50 1sfk h HIS 79 CO -0.34 0.62 0.51 -0.07 0.86 0.00 0.00 177.93 179.51 1sfk h LEU 80 N -0.75 0.48 -0.80 2.43 3.38 -0.93 -0.76 115.31 118.36 1sfk h LEU 80 Ca -0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1sfk h LEU 80 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sfk h LEU 80 CO 0.01 0.26 -0.34 -0.07 0.09 0.00 0.00 178.44 178.39 1sfk h LEU 81 N 0.52 0.53 -0.63 1.67 3.38 -1.11 -1.20 115.31 118.47 1sfk h LEU 81 Ca 0.38 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1sfk h LEU 81 Cb 0.73 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1sfk h LEU 81 CO -0.14 0.83 -0.54 -1.28 0.09 0.00 0.00 178.44 177.41 1sfk h SER 82 N 0.44 0.46 0.07 -0.43 0.87 -0.93 -1.72 113.55 112.30 1sfk h SER 82 Ca 0.05 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1sfk h SER 82 Cb 0.80 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1sfk h SER 82 CO 0.06 0.91 -0.03 -0.26 -0.53 0.00 0.00 176.83 176.98 1sfk h PHE 83 N 0.32 -0.08 -0.96 2.24 0.04 -0.69 -0.68 116.94 117.14 1sfk h PHE 83 Ca 0.01 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.98 1sfk h PHE 83 Cb 1.05 0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.11 1sfk h PHE 83 CO 0.03 0.05 0.54 0.87 -0.60 0.00 0.00 178.31 179.20 1sfk h LYS 84 N -0.19 0.62 -0.39 1.51 1.57 -1.04 0.16 116.57 118.80 1sfk h LYS 84 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1sfk h LYS 84 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1sfk h LYS 84 CO 0.01 0.41 0.21 0.87 -0.57 0.00 0.00 179.45 180.38 1sfk h LYS 85 N 0.63 0.54 0.03 3.15 6.56 -0.75 -2.44 116.57 124.30 1sfk h LYS 85 Ca 0.57 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1sfk h LYS 85 Cb 0.96 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1sfk h LYS 85 CO -0.43 0.45 -0.02 0.93 -2.06 0.00 0.00 179.45 178.33 1sfk h GLU 86 N 0.50 -0.04 -0.90 3.15 4.39 0.74 -0.75 114.58 121.67 1sfk h GLU 86 Ca 0.14 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.03 1sfk h GLU 86 Cb 0.07 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 1sfk h GLU 86 CO -0.02 -0.02 0.59 -0.07 -1.16 0.00 0.00 179.01 178.33 1sfk h LEU 87 N -0.06 0.48 -0.30 1.33 3.38 -0.95 -2.16 115.31 117.04 1sfk h LEU 87 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sfk h LEU 87 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sfk h LEU 87 CO 0.01 0.20 0.15 1.23 0.09 0.00 0.00 178.44 180.12 1sfk h GLY 88 N 0.49 0.46 1.69 0.83 0.00 -0.64 0.18 103.07 106.08 1sfk h GLY 88 Ca 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1sfk h GLY 88 CO -0.20 0.21 0.01 -0.91 0.00 0.00 0.00 176.54 175.66 1sfk h THR 89 N 0.35 1.16 -0.33 4.70 1.35 -0.92 0.00 112.91 119.21 1sfk h THR 89 Ca 0.10 -0.62 -0.10 0.00 -0.55 0.00 0.00 66.41 65.24 1sfk h THR 89 Cb 0.11 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1sfk h THR 89 CO -0.01 0.21 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.21 1sfk h LEU 90 N 0.38 0.75 -0.00 3.87 -0.00 -1.05 -2.26 115.31 117.00 1sfk h LEU 90 Ca 0.09 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1sfk h LEU 90 Cb 0.25 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1sfk h LEU 90 CO 0.01 1.00 -0.02 0.74 -0.00 0.00 0.00 178.44 180.17 1sfk h THR 91 N 0.49 1.55 0.00 0.22 2.02 -0.40 -2.85 112.91 113.95 1sfk h THR 91 Ca 0.07 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 1sfk h THR 91 Cb 0.73 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1sfk h THR 91 CO 0.05 0.43 -0.02 0.77 0.37 0.00 0.00 175.52 177.12 1sfk h SER 92 N -0.67 0.00 -0.25 4.18 4.64 -1.11 0.74 113.55 121.07 1sfk h SER 92 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1sfk h SER 92 Cb 0.72 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1sfk h SER 92 CO 0.00 0.02 0.06 0.00 -0.87 0.00 0.00 176.83 176.05 1sfk h ALA 93 N 1.98 0.27 0.00 5.18 0.00 -1.33 -2.80 119.26 122.55 1sfk h ALA 93 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sfk h ALA 93 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sfk h ALA 93 CO 0.00 -0.35 0.00 -0.89 0.00 0.00 0.00 179.25 178.01 1sfk n ILE 94 N -5.07 0.67 0.25 0.00 5.41 0.22 -3.38 119.36 117.45 1sfk n ILE 94 Ca -0.01 0.17 0.14 0.00 1.00 0.00 0.00 62.75 64.04 1sfk n ILE 94 Cb 0.10 -0.84 0.47 0.00 -0.71 0.00 0.00 39.64 38.67 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 -1.17 -3.51 115.58 114.03 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 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1sfk h ASN 95 CO 0.00 0.06 0.00 -2.11 -1.29 0.00 0.00 177.43 174.09