#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 0.00 0.03 1.96 2.88 -1.26 -4.64 113.62 112.59 1sfk n SER 25 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1sfk n SER 25 Cb 0.00 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 1sfk n SER 25 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1sfk h LEU 26 N 0.00 0.00 -0.17 2.46 5.85 -2.08 0.52 115.31 121.89 1sfk h LEU 26 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1sfk h LEU 26 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1sfk h LEU 26 CO 0.00 0.00 -0.61 0.74 -0.34 0.00 0.00 178.44 178.23 1sfk h THR 27 N 0.00 1.31 -0.20 1.05 2.02 -2.03 -3.34 112.91 111.71 1sfk h THR 27 Ca 0.23 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1sfk h THR 27 Cb 1.03 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1sfk h THR 27 CO -0.00 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.07 1sfk n GLY 28 N 0.60 1.28 0.10 2.16 0.00 0.17 -3.75 105.19 105.75 1sfk n GLY 28 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1sfk n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sfk h LEU 29 N 1.31 -0.19 -3.41 0.99 3.38 -1.41 -3.41 115.31 112.57 1sfk h LEU 29 Ca 0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1sfk h LEU 29 Cb 0.73 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 1sfk h LEU 29 CO 0.10 -0.02 0.18 0.29 0.09 0.00 0.00 178.44 179.09 1sfk n LYS 30 N -3.28 3.69 0.02 1.13 4.01 -1.25 -2.03 118.16 120.46 1sfk n LYS 30 Ca -0.03 -2.73 -0.20 0.00 -0.51 0.00 0.00 58.31 54.85 1sfk n LYS 30 Cb 0.09 -2.13 -0.14 0.00 -0.51 0.00 0.00 35.03 32.34 1sfk n LYS 30 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1sfk h ARG 31 N 2.67 0.27 -0.39 1.97 9.65 -1.80 -3.36 114.38 123.38 1sfk h ARG 31 Ca 0.18 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1sfk h ARG 31 Cb 2.07 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 30.82 1sfk h ARG 31 CO 0.61 1.15 0.00 0.00 2.80 0.00 0.00 179.97 184.53 1sfk n ALA 32 N -2.89 2.32 -0.02 2.80 0.00 -0.86 -0.09 120.51 121.76 1sfk n ALA 32 Ca -0.27 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1sfk n ALA 32 Cb 1.05 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1sfk n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sfk n MET 33 N -0.24 1.00 -0.27 0.00 2.81 -1.25 -3.95 117.12 115.23 1sfk n MET 33 Ca 0.00 -0.08 0.12 0.00 -1.81 0.00 0.00 57.70 55.93 1sfk n MET 33 Cb 0.10 -1.30 0.27 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.12 3.55 -0.00 4.03 4.77 0.86 -2.53 117.00 125.57 1sfk n LEU 34 Ca -0.08 -1.65 0.04 0.00 -0.03 0.00 0.00 56.01 54.28 1sfk n LEU 34 Cb 0.53 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1sfk n LEU 34 CO 0.26 0.83 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.80 1sfk n SER 35 N 1.49 0.97 0.00 -1.43 7.64 -0.11 -3.86 113.62 118.32 1sfk n SER 35 Ca 0.21 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1sfk n SER 35 Cb 0.59 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.88 1sfk n SER 35 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1sfk n LEU 36 N -1.32 1.36 0.10 -3.43 -0.00 -1.21 -4.04 117.00 108.46 1sfk n LEU 36 Ca 0.01 0.23 -0.04 0.00 -0.00 0.00 0.00 56.01 56.20 1sfk n LEU 36 Cb 0.15 -0.25 -0.02 0.00 -0.00 0.00 0.00 43.42 43.30 1sfk n LEU 36 CO 0.17 -0.25 0.28 0.40 -0.00 0.00 0.00 177.39 177.99 1sfk h ILE 37 N 0.00 0.00 -2.63 1.96 2.04 -1.81 -3.38 117.51 113.69 1sfk h ILE 37 Ca 0.00 -0.16 -0.71 0.00 1.00 0.00 0.00 64.86 64.99 1sfk h ILE 37 Cb 0.00 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 35.89 1sfk h ILE 37 CO 0.00 0.00 0.76 1.51 0.00 0.00 0.00 178.15 180.42 1sfk s ASP 38 N -3.25 6.70 0.00 1.72 1.47 -1.26 -4.41 116.67 117.64 1sfk s ASP 38 Ca -0.04 -2.26 0.00 0.00 1.18 0.00 0.00 52.55 51.43 1sfk s ASP 38 Cb 0.00 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.22 1sfk s ASP 38 CO 0.12 -0.94 0.00 0.61 0.68 0.00 0.00 175.17 175.63 1sfk n GLY 39 N 5.09 0.00 2.83 2.12 0.00 -1.26 -4.09 105.19 109.88 1sfk n GLY 39 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 0.06 -1.93 0.00 1.61 5.12 -1.25 -4.80 116.66 115.47 1sfk n ARG 40 Ca 0.00 -1.46 0.00 0.00 -1.93 0.00 0.00 57.85 54.46 1sfk n ARG 40 Cb 0.00 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.50 -4.05 3.62 -0.13 0.00 -1.26 -4.12 105.19 96.74 1sfk n GLY 41 Ca 0.12 -2.11 -0.49 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.01 1.54 -0.22 1.61 -0.02 -1.26 -4.80 135.00 131.85 1sfk n PRO 42 Ca 0.00 0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1sfk n PRO 42 Cb 0.00 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.41 0.34 -0.56 3.45 2.02 -1.98 -1.16 112.91 118.42 1sfk h THR 43 Ca -0.46 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1sfk h THR 43 Cb 1.30 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1sfk h THR 43 CO 0.82 0.00 -0.04 0.08 0.37 0.00 0.00 175.52 176.75 1sfk h ARG 44 N -0.01 1.00 0.14 6.66 0.11 -1.97 -1.88 114.38 118.44 1sfk h ARG 44 Ca 0.31 -0.32 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1sfk h ARG 44 Cb 0.48 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 1sfk h ARG 44 CO -0.67 1.00 -0.20 0.35 0.10 0.00 0.00 179.97 180.55 1sfk h PHE 45 N 0.91 -0.51 -0.87 4.08 3.57 -1.61 0.33 116.94 122.83 1sfk h PHE 45 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1sfk h PHE 45 Cb 0.58 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1sfk h PHE 45 CO 0.04 -0.29 0.58 0.28 -2.23 0.00 0.00 178.31 176.68 1sfk h VAL 46 N -0.39 1.20 -0.40 1.41 2.07 -1.18 0.11 116.25 119.06 1sfk h VAL 46 Ca 0.02 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1sfk h VAL 46 Cb 0.40 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1sfk h VAL 46 CO -0.08 0.21 -0.13 -0.07 0.02 0.00 0.00 177.57 177.52 1sfk h LEU 47 N 1.16 0.81 -0.38 2.57 3.38 -1.10 -1.13 115.31 120.62 1sfk h LEU 47 Ca 0.33 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1sfk h LEU 47 Cb -0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1sfk h LEU 47 CO -0.08 1.00 0.08 0.00 0.09 0.00 0.00 178.44 179.53 1sfk h ALA 48 N 0.84 0.41 -0.65 1.53 0.00 0.19 0.39 119.26 121.97 1sfk h ALA 48 Ca 0.10 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1sfk h ALA 48 Cb 0.66 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1sfk h ALA 48 CO 0.05 -0.33 0.36 1.25 0.00 0.00 0.00 179.25 180.58 1sfk h LEU 49 N 0.20 0.52 -0.36 0.00 5.85 -0.65 0.46 115.31 121.33 1sfk h LEU 49 Ca 0.18 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1sfk h LEU 49 Cb 0.22 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1sfk h LEU 49 CO -0.24 0.34 0.23 0.25 -0.34 0.00 0.00 178.44 178.68 1sfk h LEU 50 N 0.66 0.40 -0.28 2.25 6.46 -0.32 0.21 115.31 124.68 1sfk h LEU 50 Ca 0.29 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 1sfk h LEU 50 Cb 0.19 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.96 1sfk h LEU 50 CO -0.19 0.29 -0.18 0.00 -0.62 0.00 0.00 178.44 177.74 1sfk h ALA 51 N 1.14 0.01 -0.96 1.25 0.00 -0.39 -1.69 119.26 118.62 1sfk h ALA 51 Ca 0.14 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sfk h ALA 51 Cb -0.04 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1sfk h ALA 51 CO -0.04 -0.59 0.60 0.35 0.00 0.00 0.00 179.25 179.58 1sfk h PHE 52 N -0.16 1.25 0.00 0.00 3.04 -0.03 0.15 116.94 121.19 1sfk h PHE 52 Ca 0.15 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1sfk h PHE 52 Cb 0.39 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1sfk h PHE 52 CO -0.37 0.81 0.00 0.74 -2.02 0.00 0.00 178.31 177.48 1sfk h PHE 53 N 1.32 0.00 0.04 0.41 0.05 -0.10 -1.30 116.94 117.35 1sfk h PHE 53 Ca 0.35 0.00 -0.37 0.00 3.82 0.00 0.00 57.97 61.77 1sfk h PHE 53 Cb -0.09 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 37.81 1sfk h PHE 53 CO 0.00 0.00 -2.22 -2.13 -0.18 0.00 0.00 178.31 173.78 1sfk n ARG 54 N -2.56 0.69 0.18 1.51 0.63 -0.47 -2.26 116.66 114.39 1sfk n ARG 54 Ca 0.01 0.18 -0.14 0.00 -0.92 0.00 0.00 57.85 56.97 1sfk n ARG 54 Cb 0.21 -1.61 -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 0.02 -0.41 -3.74 -0.14 0.04 -0.49 -3.39 116.94 108.84 1sfk h PHE 55 Ca -0.49 -0.01 -0.51 0.00 2.80 0.00 0.00 57.97 59.76 1sfk h PHE 55 Cb 2.01 0.13 0.01 0.00 2.20 0.00 0.00 35.95 40.31 1sfk h PHE 55 CO 0.04 -0.15 0.47 0.99 -0.60 0.00 0.00 178.31 179.07 1sfk s THR 56 N -5.39 3.58 -1.40 -1.55 2.01 -0.51 -4.94 115.64 107.44 1sfk s THR 56 Ca -0.15 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.29 1sfk s THR 56 Cb 0.03 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 1sfk s THR 56 CO 0.60 0.34 2.65 0.00 -0.69 0.00 0.00 174.62 177.52 1sfk n ALA 57 N 1.48 6.54 -2.90 7.40 0.00 -1.26 -4.56 120.51 127.21 1sfk n ALA 57 Ca -0.00 -3.12 -0.34 0.00 0.00 0.00 0.00 53.44 49.98 1sfk n ALA 57 Cb 0.45 -3.29 -0.12 0.00 0.00 0.00 0.00 19.45 16.49 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 2.66 3.66 -0.14 0.00 1.01 -0.96 -5.08 121.20 122.35 1sfk s ILE 58 Ca 0.60 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1sfk s ILE 58 Cb 0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1sfk s ILE 58 CO -0.05 0.52 1.22 0.00 0.00 0.00 0.00 174.94 176.63 1sfk s ALA 59 N 0.10 3.61 0.58 9.38 0.00 -1.26 -4.43 121.76 129.73 1sfk s ALA 59 Ca -0.02 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 1sfk s ALA 59 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1sfk s ALA 59 CO 0.03 -1.03 1.06 -2.14 0.00 0.00 0.00 175.76 173.69 1sfk s PRO 60 N 3.06 3.36 0.46 0.00 0.02 -1.26 -4.98 135.00 135.66 1sfk s PRO 60 Ca 0.54 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.58 1sfk s PRO 60 Cb -0.22 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.19 1sfk s PRO 60 CO 0.16 -0.78 1.25 0.95 -0.33 0.00 0.00 177.00 178.25 1sfk s THR 61 N -2.34 2.74 0.29 0.99 -4.23 -1.26 -4.77 115.64 107.06 1sfk s THR 61 Ca 0.65 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.78 1sfk s THR 61 Cb -0.17 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.66 1sfk s THR 61 CO 0.34 0.03 1.65 0.03 -0.54 0.00 0.00 174.62 176.13 1sfk h ARG 62 N 2.15 0.23 -0.13 3.99 3.08 -1.92 0.14 114.38 121.93 1sfk h ARG 62 Ca -0.50 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 1sfk h ARG 62 Cb 1.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1sfk h ARG 62 CO 0.60 0.15 -0.13 0.00 -1.07 0.00 0.00 179.97 179.53 1sfk h ALA 63 N 1.77 1.56 0.04 0.04 0.00 -1.81 0.30 119.26 121.16 1sfk h ALA 63 Ca 0.56 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1sfk h ALA 63 Cb 1.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sfk h ALA 63 CO -0.63 0.32 -0.42 0.28 0.00 0.00 0.00 179.25 178.80 1sfk h VAL 64 N 0.19 1.57 -0.52 0.00 2.07 -0.99 -3.21 116.25 115.36 1sfk h VAL 64 Ca 0.04 -2.23 0.06 0.00 0.82 0.00 0.00 66.70 65.38 1sfk h VAL 64 Cb 0.34 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 1sfk h VAL 64 CO 0.02 0.62 0.23 0.25 0.02 0.00 0.00 177.57 178.71 1sfk h LEU 65 N -0.51 0.30 -1.46 2.57 7.12 -0.92 -2.34 115.31 120.07 1sfk h LEU 65 Ca -0.06 0.04 0.17 0.00 0.13 0.00 0.00 57.88 58.15 1sfk h LEU 65 Cb 1.24 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.30 1sfk h LEU 65 CO 0.08 0.21 0.56 0.44 -0.13 0.00 0.00 178.44 179.59 1sfk h ASP 66 N 0.45 0.48 0.64 1.25 5.19 -0.51 -2.29 116.42 121.63 1sfk h ASP 66 Ca 0.24 0.04 -0.27 0.00 -0.62 0.00 0.00 57.03 56.41 1sfk h ASP 66 Cb 0.20 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1sfk h ASP 66 CO -0.20 0.23 -1.30 -0.09 -3.12 0.00 0.00 179.24 174.76 1sfk h ARG 67 N 0.50 0.21 -0.40 3.56 9.65 -1.43 -3.23 114.38 123.24 1sfk h ARG 67 Ca 0.43 -0.36 0.12 0.00 -1.10 0.00 0.00 59.98 59.07 1sfk h ARG 67 Cb 0.92 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 1sfk h ARG 67 CO -0.17 1.12 0.39 2.35 2.80 0.00 0.00 179.97 186.46 1sfk h TRP 68 N 0.06 0.00 0.00 2.20 2.91 -1.00 0.15 115.95 120.26 1sfk h TRP 68 Ca -0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.87 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 0.05 0.00 -0.38 0.54 -1.03 0.00 0.00 178.44 177.62 1sfk n ARG 69 N -3.89 0.22 -0.03 2.65 3.00 -1.17 -4.29 116.66 113.16 1sfk n ARG 69 Ca 0.07 0.10 0.01 0.00 -0.01 0.00 0.00 57.85 58.03 1sfk n ARG 69 Cb 0.56 -1.68 -0.10 0.00 0.00 0.00 0.00 32.46 31.25 1sfk n ARG 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1sfk n SER 70 N -2.03 2.12 -4.54 0.55 7.64 0.41 -5.03 113.62 112.74 1sfk n SER 70 Ca 0.04 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.46 1sfk n SER 70 Cb 0.42 1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.84 1sfk n SER 70 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1sfk n VAL 71 N -2.14 1.66 -1.64 0.44 0.24 -0.46 -4.85 118.33 111.57 1sfk n VAL 71 Ca -0.09 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 1sfk n VAL 71 Cb 0.56 -0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.50 6.06 0.22 -1.34 3.04 -1.26 -4.86 114.94 116.30 1sfk s ASN 72 Ca 0.64 2.38 -0.19 0.00 0.04 0.00 0.00 52.86 55.73 1sfk s ASN 72 Cb -0.81 -2.52 0.19 0.00 -1.54 0.00 0.00 41.25 36.57 1sfk s ASN 72 CO 0.57 -1.41 1.54 0.29 -3.04 0.00 0.00 177.10 175.05 1sfk n LYS 73 N 8.02 -0.26 -0.02 0.43 5.02 -1.26 0.07 118.16 130.15 1sfk n LYS 73 Ca 0.24 1.52 -0.09 0.00 -2.02 0.00 0.00 58.31 57.96 1sfk n LYS 73 Cb 0.43 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 1sfk n LYS 73 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1sfk h GLN 74 N 0.00 -0.27 -0.49 1.97 5.75 -2.00 -0.38 115.11 119.69 1sfk h GLN 74 Ca 0.32 0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.71 1sfk h GLN 74 Cb 0.56 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1sfk h GLN 74 CO -0.98 -0.18 -0.19 1.15 -2.65 0.00 0.00 178.83 175.98 1sfk h THR 75 N -0.28 1.27 -0.84 2.39 2.02 -1.65 -1.97 112.91 113.85 1sfk h THR 75 Ca 0.12 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.95 1sfk h THR 75 Cb 0.46 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1sfk h THR 75 CO -0.34 0.47 0.55 0.00 0.37 0.00 0.00 175.52 176.57 1sfk h ALA 76 N 0.88 1.07 -0.07 6.16 0.00 -0.09 -2.21 119.26 124.99 1sfk h ALA 76 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sfk h ALA 76 Cb 0.77 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sfk h ALA 76 CO 0.06 0.46 -0.02 1.98 0.00 0.00 0.00 179.25 181.74 1sfk h MET 77 N 1.13 0.14 -0.93 0.00 -1.53 -0.95 -2.04 114.93 110.75 1sfk h MET 77 Ca 0.31 -0.05 0.28 0.00 -3.44 0.00 0.00 59.70 56.79 1sfk h MET 77 Cb -0.12 -0.01 -0.15 0.00 -0.55 0.00 0.00 31.60 30.77 1sfk h MET 77 CO -0.07 0.47 0.31 -0.22 0.14 0.00 0.00 176.91 177.53 1sfk h LYS 78 N -0.20 0.18 0.05 0.39 1.63 -1.01 -0.83 116.57 116.78 1sfk h LYS 78 Ca 0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1sfk h LYS 78 Cb 0.42 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1sfk h LYS 78 CO 0.01 0.12 -0.02 0.45 -3.45 0.00 0.00 179.45 176.55 1sfk h HIS 79 N 0.18 -0.06 -0.74 1.91 3.86 -1.24 -2.89 115.15 116.16 1sfk h HIS 79 Ca 0.63 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.98 1sfk h HIS 79 Cb 1.37 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.81 1sfk h HIS 79 CO -0.22 0.58 0.50 -0.07 0.86 0.00 0.00 177.93 179.58 1sfk h LEU 80 N -0.87 0.39 -0.68 2.43 3.38 -0.92 -0.76 115.31 118.28 1sfk h LEU 80 Ca -0.01 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1sfk h LEU 80 Cb 0.66 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sfk h LEU 80 CO 0.01 0.21 -0.58 -0.07 0.09 0.00 0.00 178.44 178.10 1sfk h LEU 81 N 0.42 0.29 -0.41 1.67 3.38 -1.16 -1.96 115.31 117.54 1sfk h LEU 81 Ca 0.36 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1sfk h LEU 81 Cb 0.82 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1sfk h LEU 81 CO -0.12 0.81 -0.50 0.77 0.09 0.00 0.00 178.44 179.49 1sfk h SER 82 N 0.20 0.00 -0.29 -0.43 4.64 -0.96 -2.29 113.55 114.41 1sfk h SER 82 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1sfk h SER 82 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1sfk h SER 82 CO 0.09 0.50 0.09 -0.26 -0.87 0.00 0.00 176.83 176.38 1sfk h PHE 83 N 0.00 0.48 -1.00 4.77 0.04 -1.00 -0.68 116.94 119.55 1sfk h PHE 83 Ca -0.00 -0.05 0.13 0.00 2.80 0.00 0.00 57.97 60.84 1sfk h PHE 83 Cb 1.21 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 39.14 1sfk h PHE 83 CO 0.00 0.50 0.63 0.87 -0.60 0.00 0.00 178.31 179.71 1sfk h LYS 84 N 0.31 0.95 -0.44 1.51 1.57 -1.23 -0.09 116.57 119.14 1sfk h LYS 84 Ca 0.09 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1sfk h LYS 84 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1sfk h LYS 84 CO -0.00 0.63 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.24 1sfk h LYS 85 N 0.97 0.80 -0.38 3.15 3.64 -1.02 -2.04 116.57 121.71 1sfk h LYS 85 Ca 0.50 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1sfk h LYS 85 Cb 0.52 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1sfk h LYS 85 CO -0.28 0.89 0.15 0.93 -2.27 0.00 0.00 179.45 178.87 1sfk h GLU 86 N 0.64 0.56 -0.67 1.90 4.39 0.35 -1.54 114.58 120.21 1sfk h GLU 86 Ca 0.12 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.81 1sfk h GLU 86 Cb 0.56 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1sfk h GLU 86 CO 0.03 0.54 0.44 -0.07 -1.16 0.00 0.00 179.01 178.80 1sfk h LEU 87 N 0.46 0.49 0.02 1.33 3.38 -1.00 -1.91 115.31 118.08 1sfk h LEU 87 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1sfk h LEU 87 Cb 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1sfk h LEU 87 CO -0.01 0.30 -0.18 1.23 0.09 0.00 0.00 178.44 179.87 1sfk h GLY 88 N 0.54 -0.26 1.25 0.83 0.00 -0.54 0.06 103.07 104.97 1sfk h GLY 88 Ca 0.31 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1sfk h GLY 88 CO -0.10 -0.17 0.36 -0.84 0.00 0.00 0.00 176.54 175.79 1sfk h THR 89 N -0.30 0.99 -0.02 4.70 2.02 -0.89 -0.26 112.91 119.15 1sfk h THR 89 Ca 0.05 -0.17 -0.22 0.00 0.77 0.00 0.00 66.41 66.84 1sfk h THR 89 Cb 0.36 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1sfk h THR 89 CO -0.15 0.09 -0.90 -0.07 0.37 0.00 0.00 175.52 174.86 1sfk h LEU 90 N 0.51 0.54 0.35 2.58 4.07 -0.85 -2.16 115.31 120.34 1sfk h LEU 90 Ca 0.23 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 1sfk h LEU 90 Cb 0.28 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1sfk h LEU 90 CO -0.06 1.21 -0.17 0.71 -1.08 0.00 0.00 178.44 179.05 1sfk h THR 91 N 0.25 0.50 -1.02 0.22 1.35 -0.02 -2.78 112.91 111.41 1sfk h THR 91 Ca -0.07 -0.68 0.30 0.00 -0.55 0.00 0.00 66.41 65.41 1sfk h THR 91 Cb 1.53 0.77 -0.14 0.00 -1.73 0.00 0.00 68.15 68.59 1sfk h THR 91 CO 0.16 0.10 0.60 -1.28 -0.25 0.00 0.00 175.52 174.85 1sfk h SER 92 N -0.93 0.54 -0.34 5.36 0.87 -1.17 0.14 113.55 118.02 1sfk h SER 92 Ca -0.05 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1sfk h SER 92 Cb 0.53 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1sfk h SER 92 CO 0.08 -0.05 0.21 0.00 -0.53 0.00 0.00 176.83 176.53 1sfk h ALA 93 N 1.79 0.43 0.00 6.23 0.00 -1.26 -2.69 119.26 123.76 1sfk h ALA 93 Ca 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1sfk h ALA 93 Cb 1.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1sfk h ALA 93 CO -0.53 -0.07 0.00 -0.89 0.00 0.00 0.00 179.25 177.75 1sfk n ILE 94 N -4.82 0.67 0.26 0.00 2.08 0.41 -3.28 119.36 114.68 1sfk n ILE 94 Ca -0.01 0.14 0.16 0.00 0.56 0.00 0.00 62.75 63.60 1sfk n ILE 94 Cb 0.05 -0.85 0.55 0.00 -0.75 0.00 0.00 39.64 38.64 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 -1.02 -3.51 115.58 114.19 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 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1sfk h ASN 95 CO 0.00 0.01 0.00 0.54 -1.29 0.00 0.00 177.43 176.69