#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 0.02 -3.35 -1.43 3.41 -1.26 -4.47 113.62 106.55 1sfk n SER 25 Ca 0.00 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.03 1sfk n SER 25 Cb 0.00 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1sfk n SER 25 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sfk s LEU 26 N 0.00 0.10 0.24 1.04 1.43 -1.26 -5.02 118.68 115.22 1sfk s LEU 26 Ca 0.14 -1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 51.39 1sfk s LEU 26 Cb 0.03 0.45 0.24 0.00 0.03 0.00 0.00 46.19 46.94 1sfk s LEU 26 CO 0.07 -0.25 1.92 0.74 0.23 0.00 0.00 176.35 179.06 1sfk h THR 27 N 4.99 1.25 -0.23 5.49 2.02 -2.04 -2.83 112.91 121.55 1sfk h THR 27 Ca 0.07 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.67 1sfk h THR 27 Cb 1.04 -0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1sfk h THR 27 CO 0.21 0.25 0.14 0.61 0.37 0.00 0.00 175.52 177.09 1sfk n GLY 28 N -1.35 2.52 0.93 2.16 0.00 -1.26 -3.78 105.19 104.41 1sfk n GLY 28 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1sfk n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sfk n LEU 29 N 0.10 0.62 0.26 0.99 0.00 -1.07 -4.59 117.00 113.32 1sfk n LEU 29 Ca 0.14 0.09 0.13 0.00 0.00 0.00 0.00 56.01 56.37 1sfk n LEU 29 Cb 0.75 -0.21 0.70 0.00 0.00 0.00 0.00 43.42 44.67 1sfk n LEU 29 CO 0.14 -0.27 1.00 0.11 0.00 0.00 0.00 177.39 178.37 1sfk h LYS 30 N -0.10 0.00 0.01 1.96 1.79 -1.65 0.84 116.57 119.41 1sfk h LYS 30 Ca -0.04 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.06 1sfk h LYS 30 Cb 0.65 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.24 1sfk h LYS 30 CO -0.02 0.00 -2.31 2.89 -1.08 0.00 0.00 179.45 178.93 1sfk n ARG 31 N -2.58 0.68 0.14 3.15 1.85 -1.26 -3.44 116.66 115.20 1sfk n ARG 31 Ca -0.02 0.08 0.13 0.00 -1.00 0.00 0.00 57.85 57.03 1sfk n ARG 31 Cb 0.28 -1.56 0.50 0.00 -1.05 0.00 0.00 32.46 30.63 1sfk n ARG 31 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1sfk h ALA 32 N 0.74 1.00 -2.57 2.89 0.00 -0.37 -0.49 119.26 120.46 1sfk h ALA 32 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sfk h ALA 32 Cb 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1sfk h ALA 32 CO 0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1sfk n MET 33 N -2.33 0.00 -0.05 0.00 2.81 0.24 -4.12 117.12 113.67 1sfk n MET 33 Ca 0.02 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 1sfk n MET 33 Cb 0.26 -0.76 -0.01 0.00 -0.71 0.00 0.00 33.22 31.99 1sfk n MET 33 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1sfk n LEU 34 N -0.72 -0.12 -0.22 4.03 4.77 -1.12 -2.10 117.00 121.53 1sfk n LEU 34 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1sfk n LEU 34 Cb 0.00 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1sfk n LEU 34 CO 0.00 -0.23 0.35 -1.20 -1.33 0.00 0.00 177.39 174.98 1sfk n SER 35 N -3.23 -0.33 0.02 -1.43 7.64 -0.21 -0.48 113.62 115.60 1sfk n SER 35 Ca 0.00 0.99 -0.19 0.00 1.01 0.00 0.00 58.87 60.69 1sfk n SER 35 Cb 0.03 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 1sfk n SER 35 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1sfk h LEU 36 N 0.00 0.37 -0.86 -3.43 8.10 -1.58 -3.20 115.31 114.71 1sfk h LEU 36 Ca 0.22 -0.95 0.00 0.00 0.11 0.00 0.00 57.88 57.26 1sfk h LEU 36 Cb 0.36 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1sfk h LEU 36 CO -0.57 1.34 0.00 -0.38 -4.11 0.00 0.00 178.44 174.72 1sfk n ILE 37 N -4.20 0.00 -2.73 0.15 5.41 -0.90 -4.57 119.36 112.51 1sfk n ILE 37 Ca -0.14 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.63 1sfk n ILE 37 Cb 0.77 -0.43 0.01 0.00 -0.71 0.00 0.00 39.64 39.28 1sfk n ILE 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sfk s ASP 38 N -0.15 -0.14 0.07 4.38 -1.08 0.37 -4.99 116.67 115.13 1sfk s ASP 38 Ca 0.00 -0.06 0.02 0.00 -0.52 0.00 0.00 52.55 51.99 1sfk s ASP 38 Cb 0.00 0.25 0.12 0.00 -1.46 0.00 0.00 42.92 41.83 1sfk s ASP 38 CO 0.00 -0.02 0.82 0.61 0.52 0.00 0.00 175.17 177.11 1sfk n GLY 39 N 3.69 -0.29 1.81 2.66 0.00 -1.21 -3.71 105.19 108.14 1sfk n GLY 39 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.39 0.25 0.00 1.61 1.74 -1.26 -4.75 116.66 112.85 1sfk n ARG 40 Ca -0.00 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1sfk n ARG 40 Cb 0.31 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 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 1.42 -4.13 3.64 -0.13 0.00 -1.26 -4.51 105.19 100.22 1sfk n GLY 41 Ca 0.08 -2.11 -0.48 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 -0.00 1.80 -0.24 1.61 -0.02 -1.26 -4.80 135.00 132.09 1sfk n PRO 42 Ca 0.00 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 1sfk n PRO 42 Cb 0.00 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.26 1sfk n PRO 42 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1sfk h THR 43 N 3.42 0.38 -0.48 3.45 1.35 -2.00 -1.05 112.91 117.98 1sfk h THR 43 Ca -0.46 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 1sfk h THR 43 Cb 1.28 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1sfk h THR 43 CO 0.83 0.02 0.20 -0.09 -0.25 0.00 0.00 175.52 176.23 1sfk h ARG 44 N 0.10 0.71 -0.12 4.72 2.43 -1.97 -1.96 114.38 118.29 1sfk h ARG 44 Ca 0.38 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1sfk h ARG 44 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1sfk h ARG 44 CO -0.63 0.62 0.03 0.35 -1.51 0.00 0.00 179.97 178.83 1sfk h PHE 45 N 0.63 0.05 -0.74 2.20 3.57 -1.60 0.26 116.94 121.32 1sfk h PHE 45 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1sfk h PHE 45 Cb 0.17 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1sfk h PHE 45 CO -0.00 0.02 0.44 0.28 -2.23 0.00 0.00 178.31 176.83 1sfk h VAL 46 N 0.08 1.21 -0.40 1.41 2.07 -1.17 0.21 116.25 119.66 1sfk h VAL 46 Ca 0.05 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1sfk h VAL 46 Cb 0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1sfk h VAL 46 CO -0.06 0.22 -0.14 -0.07 0.02 0.00 0.00 177.57 177.54 1sfk h LEU 47 N 1.01 0.81 -0.33 2.57 3.38 -1.16 -1.38 115.31 120.22 1sfk h LEU 47 Ca 0.26 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1sfk h LEU 47 Cb -0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1sfk h LEU 47 CO -0.05 1.01 0.04 0.00 0.09 0.00 0.00 178.44 179.53 1sfk h ALA 48 N 0.83 0.32 -0.86 1.53 0.00 -0.03 0.16 119.26 121.21 1sfk h ALA 48 Ca 0.10 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1sfk h ALA 48 Cb 0.68 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1sfk h ALA 48 CO 0.05 -0.37 0.52 1.25 0.00 0.00 0.00 179.25 180.70 1sfk h LEU 49 N 0.14 0.78 -0.35 0.00 5.85 -0.48 0.08 115.31 121.33 1sfk h LEU 49 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1sfk h LEU 49 Cb 0.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1sfk h LEU 49 CO -0.23 0.47 0.18 0.25 -0.34 0.00 0.00 178.44 178.77 1sfk h LEU 50 N 0.90 0.45 -0.26 2.25 6.46 -0.26 0.26 115.31 125.11 1sfk h LEU 50 Ca 0.40 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 58.11 1sfk h LEU 50 Cb 0.29 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1sfk h LEU 50 CO -0.21 0.42 -0.11 0.00 -0.62 0.00 0.00 178.44 177.92 1sfk h ALA 51 N 1.04 0.11 -0.74 1.25 0.00 -0.00 -1.68 119.26 119.24 1sfk h ALA 51 Ca 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1sfk h ALA 51 Cb 0.09 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1sfk h ALA 51 CO -0.02 -0.51 0.36 0.35 0.00 0.00 0.00 179.25 179.43 1sfk h PHE 52 N -0.06 1.05 0.00 0.00 3.04 -0.45 0.10 116.94 120.62 1sfk h PHE 52 Ca 0.13 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1sfk h PHE 52 Cb 0.27 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1sfk h PHE 52 CO -0.29 0.76 0.00 0.74 -2.02 0.00 0.00 178.31 177.50 1sfk h PHE 53 N 1.05 0.00 0.02 0.41 0.05 0.08 -1.60 116.94 116.96 1sfk h PHE 53 Ca 0.26 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.68 1sfk h PHE 53 Cb 0.10 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 37.99 1sfk h PHE 53 CO 0.01 0.00 -2.24 -2.13 -0.18 0.00 0.00 178.31 173.77 1sfk n ARG 54 N -2.73 0.68 0.20 1.51 0.63 -0.38 -2.31 116.66 114.26 1sfk n ARG 54 Ca 0.00 0.15 -0.15 0.00 -0.92 0.00 0.00 57.85 56.93 1sfk n ARG 54 Cb 0.20 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.43 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 0.01 -0.46 -3.72 -0.14 0.04 -0.57 -3.38 116.94 108.71 1sfk h PHE 55 Ca -0.50 -0.01 -0.51 0.00 2.80 0.00 0.00 57.97 59.76 1sfk h PHE 55 Cb 2.05 0.15 0.01 0.00 2.20 0.00 0.00 35.95 40.36 1sfk h PHE 55 CO 0.03 -0.19 0.45 0.99 -0.60 0.00 0.00 178.31 178.99 1sfk s THR 56 N -5.37 3.70 -1.46 -1.55 2.01 -0.63 -4.94 115.64 107.41 1sfk s THR 56 Ca -0.15 1.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 1sfk s THR 56 Cb 0.03 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1sfk s THR 56 CO 0.59 0.36 2.67 0.00 -0.69 0.00 0.00 174.62 177.54 1sfk n ALA 57 N 1.60 6.63 -2.85 7.40 0.00 -1.26 -4.56 120.51 127.46 1sfk n ALA 57 Ca -0.00 -3.36 -0.33 0.00 0.00 0.00 0.00 53.44 49.74 1sfk n ALA 57 Cb 0.46 -3.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.41 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 2.65 3.51 -0.24 0.00 1.01 -0.98 -5.08 121.20 122.07 1sfk s ILE 58 Ca 0.61 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1sfk s ILE 58 Cb 0.16 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 1sfk s ILE 58 CO -0.05 0.54 1.23 0.00 0.00 0.00 0.00 174.94 176.66 1sfk s ALA 59 N -0.04 3.53 0.65 9.38 0.00 -1.26 -4.46 121.76 129.55 1sfk s ALA 59 Ca -0.01 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 1sfk s ALA 59 Cb -0.14 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 1sfk s ALA 59 CO 0.03 -1.43 1.16 -1.25 0.00 0.00 0.00 175.76 174.28 1sfk s PRO 60 N 3.74 2.71 0.46 0.00 0.04 -1.26 -4.97 135.00 135.73 1sfk s PRO 60 Ca 0.53 1.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1sfk s PRO 60 Cb -0.18 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1sfk s PRO 60 CO 0.17 -1.36 1.22 0.95 0.04 0.00 0.00 177.00 178.02 1sfk s THR 61 N -1.98 2.85 0.28 1.26 -4.23 -1.26 -4.76 115.64 107.79 1sfk s THR 61 Ca 0.72 0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 61.88 1sfk s THR 61 Cb -0.26 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 70.57 1sfk s THR 61 CO 0.39 0.02 1.61 0.03 -0.54 0.00 0.00 174.62 176.12 1sfk h ARG 62 N 2.11 0.08 -0.17 3.99 3.08 -1.93 0.17 114.38 121.71 1sfk h ARG 62 Ca -0.50 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1sfk h ARG 62 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1sfk h ARG 62 CO 0.60 0.05 -0.04 0.00 -1.07 0.00 0.00 179.97 179.52 1sfk h ALA 63 N 1.84 1.62 0.00 0.04 0.00 -1.91 0.27 119.26 121.13 1sfk h ALA 63 Ca 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1sfk h ALA 63 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sfk h ALA 63 CO -0.78 0.28 -0.16 0.28 0.00 0.00 0.00 179.25 178.87 1sfk h VAL 64 N 0.25 1.60 -0.74 0.00 2.07 -1.00 -3.21 116.25 115.21 1sfk h VAL 64 Ca 0.06 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.61 1sfk h VAL 64 Cb 0.24 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 1sfk h VAL 64 CO 0.01 0.53 0.49 0.25 0.02 0.00 0.00 177.57 178.86 1sfk h LEU 65 N -0.64 0.84 -1.34 2.57 7.12 -0.84 -2.40 115.31 120.61 1sfk h LEU 65 Ca -0.02 -0.02 0.19 0.00 0.13 0.00 0.00 57.88 58.16 1sfk h LEU 65 Cb 0.95 -0.21 -0.08 0.00 -0.53 0.00 0.00 40.66 40.80 1sfk h LEU 65 CO 0.03 0.60 0.60 0.44 -0.13 0.00 0.00 178.44 179.99 1sfk h ASP 66 N 0.99 0.55 0.43 1.25 5.19 -0.55 -2.34 116.42 121.94 1sfk h ASP 66 Ca 0.27 0.06 -0.29 0.00 -0.62 0.00 0.00 57.03 56.45 1sfk h ASP 66 Cb -0.10 -0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.38 1sfk h ASP 66 CO -0.06 0.22 -1.25 0.03 -3.12 0.00 0.00 179.24 175.05 1sfk h ARG 67 N 0.55 0.41 -0.60 3.56 2.47 -1.44 -3.22 114.38 116.10 1sfk h ARG 67 Ca 0.50 -0.62 0.17 0.00 -1.26 0.00 0.00 59.98 58.77 1sfk h ARG 67 Cb 1.03 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 1sfk h ARG 67 CO -0.23 1.28 0.50 2.35 0.56 0.00 0.00 179.97 184.43 1sfk h TRP 68 N 0.14 0.00 0.00 3.04 2.91 -1.08 0.15 115.95 121.12 1sfk h TRP 68 Ca -0.16 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.86 1sfk h TRP 68 Cb 1.95 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.60 1sfk h TRP 68 CO 0.09 0.00 -0.48 0.54 -1.03 0.00 0.00 178.44 177.56 1sfk n ARG 69 N -4.03 0.22 -0.02 2.65 1.74 -1.17 -4.28 116.66 111.78 1sfk n ARG 69 Ca 0.12 0.09 0.03 0.00 -0.77 0.00 0.00 57.85 57.31 1sfk n ARG 69 Cb 0.74 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.00 2.29 -4.60 0.55 3.41 0.41 -5.03 113.62 108.66 1sfk n SER 70 Ca 0.04 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.20 1sfk n SER 70 Cb 0.42 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.71 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 -2.03 1.68 -1.64 -3.33 0.24 -0.43 -4.86 118.33 107.97 1sfk n VAL 71 Ca -0.06 -0.42 -0.45 0.00 -2.04 0.00 0.00 64.34 61.38 1sfk n VAL 71 Cb 0.44 -1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 31.71 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 1.44 3.65 -0.27 -1.34 4.05 -1.26 -4.86 115.26 116.68 1sfk n ASN 72 Ca 0.10 0.73 -0.00 0.00 0.45 0.00 0.00 54.58 55.86 1sfk n ASN 72 Cb 0.31 -1.48 0.06 0.00 1.23 0.00 0.00 39.78 39.90 1sfk n ASN 72 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1sfk h LYS 73 N 11.39 -0.05 -0.11 1.20 3.64 -1.98 0.29 116.57 130.95 1sfk h LYS 73 Ca -0.46 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1sfk h LYS 73 Cb 1.25 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1sfk h LYS 73 CO 0.95 -0.03 -0.07 0.37 -2.27 0.00 0.00 179.45 178.40 1sfk h GLN 74 N -0.05 -0.07 -0.55 1.90 5.75 -2.00 -0.40 115.11 119.70 1sfk h GLN 74 Ca 0.33 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.73 1sfk h GLN 74 Cb 0.57 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1sfk h GLN 74 CO -0.79 -0.05 -0.06 1.15 -2.65 0.00 0.00 178.83 176.43 1sfk h THR 75 N -0.07 1.27 -0.81 2.39 2.02 -1.74 -1.79 112.91 114.17 1sfk h THR 75 Ca 0.07 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1sfk h THR 75 Cb 0.17 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1sfk h THR 75 CO -0.16 0.43 0.53 0.00 0.37 0.00 0.00 175.52 176.69 1sfk h ALA 76 N 0.94 1.05 -0.17 6.16 0.00 -0.19 -2.26 119.26 124.79 1sfk h ALA 76 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1sfk h ALA 76 Cb 0.62 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sfk h ALA 76 CO 0.04 0.38 -0.16 1.98 0.00 0.00 0.00 179.25 181.49 1sfk h MET 77 N 1.04 0.42 -0.88 0.00 -1.53 -0.95 -2.21 114.93 110.82 1sfk h MET 77 Ca 0.31 -0.22 0.24 0.00 -3.44 0.00 0.00 59.70 56.59 1sfk h MET 77 Cb -0.04 0.01 -0.15 0.00 -0.55 0.00 0.00 31.60 30.86 1sfk h MET 77 CO -0.09 0.78 0.18 -0.22 0.14 0.00 0.00 176.91 177.69 1sfk h LYS 78 N 0.07 0.15 0.11 0.39 3.64 -0.93 -0.88 116.57 119.12 1sfk h LYS 78 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sfk h LYS 78 Cb 0.69 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1sfk h LYS 78 CO 0.04 0.10 -0.05 0.45 -2.27 0.00 0.00 179.45 177.72 1sfk h HIS 79 N 0.15 -0.13 -0.79 1.91 3.86 -1.30 -2.81 115.15 116.04 1sfk h HIS 79 Ca 0.55 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.92 1sfk h HIS 79 Cb 1.11 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.57 1sfk h HIS 79 CO -0.32 0.37 0.53 -0.07 0.86 0.00 0.00 177.93 179.30 1sfk h LEU 80 N -0.79 0.38 -0.51 2.43 3.38 -0.96 -0.61 115.31 118.63 1sfk h LEU 80 Ca -0.01 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1sfk h LEU 80 Cb 0.57 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sfk h LEU 80 CO 0.02 0.18 -0.72 -0.07 0.09 0.00 0.00 178.44 177.94 1sfk h LEU 81 N 0.40 0.00 -0.50 1.67 3.38 -1.12 -1.98 115.31 117.16 1sfk h LEU 81 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.20 1sfk h LEU 81 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1sfk h LEU 81 CO -0.13 0.72 -0.72 -1.28 0.09 0.00 0.00 178.44 177.12 1sfk h SER 82 N 0.00 0.22 0.21 -0.43 0.87 -0.89 -1.94 113.55 111.59 1sfk h SER 82 Ca -0.01 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1sfk h SER 82 Cb 1.31 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1sfk h SER 82 CO 0.09 0.87 -0.10 -0.26 -0.53 0.00 0.00 176.83 176.90 1sfk h PHE 83 N 0.12 -0.26 -0.83 2.24 0.04 -1.04 -0.60 116.94 116.62 1sfk h PHE 83 Ca -0.02 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.95 1sfk h PHE 83 Cb 1.28 0.09 -0.13 0.00 2.20 0.00 0.00 35.95 39.38 1sfk h PHE 83 CO 0.02 -0.14 0.16 0.87 -0.60 0.00 0.00 178.31 178.63 1sfk h LYS 84 N -0.31 0.19 -0.62 1.51 1.57 -1.28 0.25 116.57 117.87 1sfk h LYS 84 Ca -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1sfk h LYS 84 Cb 0.24 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1sfk h LYS 84 CO 0.05 0.12 0.26 -0.22 -0.57 0.00 0.00 179.45 179.09 1sfk h LYS 85 N 0.19 0.93 -0.15 3.15 1.63 -0.86 -2.13 116.57 119.33 1sfk h LYS 85 Ca 0.49 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 1sfk h LYS 85 Cb 0.94 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1sfk h LYS 85 CO -0.64 0.78 0.05 0.93 -3.45 0.00 0.00 179.45 177.12 1sfk h GLU 86 N 0.87 0.23 -0.92 1.90 4.39 1.00 -0.64 114.58 121.40 1sfk h GLU 86 Ca 0.21 -0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.06 1sfk h GLU 86 Cb 0.19 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1sfk h GLU 86 CO -0.02 0.35 0.60 -0.07 -1.16 0.00 0.00 179.01 178.71 1sfk h LEU 87 N 0.07 0.49 0.13 1.33 3.38 -0.97 -1.60 115.31 118.13 1sfk h LEU 87 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sfk h LEU 87 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sfk h LEU 87 CO -0.00 0.20 -0.11 1.23 0.09 0.00 0.00 178.44 179.84 1sfk h GLY 88 N 0.49 -0.24 1.68 0.83 0.00 -0.43 -0.05 103.07 105.35 1sfk h GLY 88 Ca 0.49 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.99 1sfk h GLY 88 CO -0.22 -0.12 0.13 -0.84 0.00 0.00 0.00 176.54 175.50 1sfk h THR 89 N -0.26 0.95 0.05 4.70 2.02 -0.80 -0.33 112.91 119.24 1sfk h THR 89 Ca 0.00 -0.03 -0.24 0.00 0.77 0.00 0.00 66.41 66.91 1sfk h THR 89 Cb 0.24 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1sfk h THR 89 CO -0.02 0.02 -1.06 -0.07 0.37 0.00 0.00 175.52 174.75 1sfk h LEU 90 N 0.08 0.46 0.57 2.58 -0.00 -0.93 -2.24 115.31 115.84 1sfk h LEU 90 Ca 0.08 -0.42 -0.03 0.00 -0.00 0.00 0.00 57.88 57.52 1sfk h LEU 90 Cb 0.24 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1sfk h LEU 90 CO -0.01 1.26 -0.28 0.74 -0.00 0.00 0.00 178.44 180.15 1sfk h THR 91 N 0.15 0.00 -0.97 0.22 2.02 0.17 -2.85 112.91 111.65 1sfk h THR 91 Ca -0.10 -0.37 0.32 0.00 0.77 0.00 0.00 66.41 67.03 1sfk h THR 91 Cb 1.73 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.98 1sfk h THR 91 CO 0.18 0.00 0.39 -1.28 0.37 0.00 0.00 175.52 175.18 1sfk h SER 92 N -1.14 0.18 -0.12 4.18 0.87 -1.22 0.13 113.55 116.43 1sfk h SER 92 Ca -0.08 0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1sfk h SER 92 Cb 0.59 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1sfk h SER 92 CO 0.13 -0.26 -0.04 0.00 -0.53 0.00 0.00 176.83 176.13 1sfk h ALA 93 N 1.90 0.06 0.00 6.23 0.00 -1.32 -2.67 119.26 123.45 1sfk h ALA 93 Ca 0.70 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1sfk h ALA 93 Cb 1.62 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1sfk h ALA 93 CO -0.71 -0.50 0.00 -0.89 0.00 0.00 0.00 179.25 177.15 1sfk n ILE 94 N -5.17 0.66 0.51 0.00 5.41 0.41 -3.24 119.36 117.93 1sfk n ILE 94 Ca -0.04 0.15 0.13 0.00 1.00 0.00 0.00 62.75 63.99 1sfk n ILE 94 Cb 0.10 -0.84 0.44 0.00 -0.71 0.00 0.00 39.64 38.63 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 -1.05 -3.51 115.58 114.16 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 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1sfk h ASN 95 CO 0.00 0.00 0.00 -2.11 -1.29 0.00 0.00 177.43 174.03