#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmk s TYR 2 N 0.00 -0.05 -0.83 0.00 6.14 -1.20 -4.63 117.35 116.78 1pmk s TYR 2 Ca 0.00 0.05 0.01 0.00 0.64 0.00 0.00 57.07 57.77 1pmk s TYR 2 Cb 0.00 0.02 0.22 0.00 0.42 0.00 0.00 41.96 42.61 1pmk s TYR 2 CO 0.00 -0.03 0.75 0.72 0.64 0.00 0.00 175.55 177.63 1pmk n HIS 3 N 5.44 3.79 -0.78 4.97 8.25 -1.26 0.22 115.22 135.84 1pmk n HIS 3 Ca -0.07 -4.09 0.00 0.00 -0.26 0.00 0.00 57.72 53.29 1pmk n HIS 3 Cb 0.55 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1pmk n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pmk n GLY 4 N 1.95 1.93 0.32 -1.41 0.00 -1.26 -3.54 105.19 103.19 1pmk n GLY 4 Ca 0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1pmk n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pmk n ASP 5 N 5.37 -0.70 -0.41 1.61 5.68 -1.19 -4.63 116.55 122.29 1pmk n ASP 5 Ca 0.00 1.42 0.00 0.00 -0.50 0.00 0.00 54.79 55.71 1pmk n ASP 5 Cb 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1pmk n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pmk n GLY 6 N -1.29 0.97 0.16 6.12 0.00 -1.23 -2.44 105.19 107.48 1pmk n GLY 6 Ca 0.05 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1pmk n GLY 6 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pmk h GLN 7 N 0.00 0.00 0.00 1.61 4.20 -1.87 -3.19 115.11 115.87 1pmk h GLN 7 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pmk h GLN 7 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1pmk h GLN 7 CO 0.00 0.32 0.00 0.66 -0.67 0.00 0.00 178.83 179.14 1pmk h SER 8 N 0.00 0.00 -3.52 1.46 4.64 -1.92 -3.44 113.55 110.77 1pmk h SER 8 Ca -0.01 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1pmk h SER 8 Cb 1.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1pmk h SER 8 CO 0.04 0.00 0.61 -0.47 -0.87 0.00 0.00 176.83 176.15 1pmk s TYR 9 N -3.36 3.29 -0.39 4.77 5.04 -1.20 -4.96 117.35 120.54 1pmk s TYR 9 Ca 0.05 1.33 0.10 0.00 -2.44 0.00 0.00 57.07 56.11 1pmk s TYR 9 Cb 0.09 -3.55 0.31 0.00 0.35 0.00 0.00 41.96 39.17 1pmk s TYR 9 CO 0.47 -1.62 0.70 0.54 -1.34 0.00 0.00 175.55 174.30 1pmk n ARG 10 N 2.19 0.89 -2.55 4.97 5.12 -1.26 -4.77 116.66 121.25 1pmk n ARG 10 Ca 0.04 -3.18 -0.15 0.00 -1.93 0.00 0.00 57.85 52.63 1pmk n ARG 10 Cb 0.43 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 30.27 1pmk n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pmk n GLY 11 N 0.66 1.96 2.68 -0.13 0.00 -1.26 -5.06 105.19 104.05 1pmk n GLY 11 Ca 0.22 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1pmk n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pmk n THR 12 N -1.98 3.21 -3.96 2.61 -1.04 -1.26 -4.79 114.28 107.06 1pmk n THR 12 Ca 0.13 -5.49 -0.31 0.00 -2.04 0.00 0.00 64.05 56.34 1pmk n THR 12 Cb 0.47 -1.80 -0.15 0.00 -1.82 0.00 0.00 70.33 67.04 1pmk n THR 12 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1pmk s SER 13 N -2.71 4.50 -0.27 8.00 0.15 -1.26 -4.95 113.70 117.17 1pmk s SER 13 Ca 0.42 -2.39 0.11 0.00 0.70 0.00 0.00 55.95 54.80 1pmk s SER 13 Cb 0.19 -1.53 0.75 0.00 -1.71 0.00 0.00 66.02 63.73 1pmk s SER 13 CO -0.06 -0.33 1.73 -1.54 1.20 0.00 0.00 173.24 174.24 1pmk n SER 14 N 3.93 5.16 -3.87 5.45 3.41 -1.26 0.25 113.62 126.69 1pmk n SER 14 Ca 0.04 -3.02 -0.12 0.00 -0.26 0.00 0.00 58.87 55.52 1pmk n SER 14 Cb 0.39 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.50 1pmk n SER 14 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pmk s THR 15 N -2.77 0.02 0.59 6.66 -4.23 -1.26 -0.49 115.64 114.15 1pmk s THR 15 Ca 0.52 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1pmk s THR 15 Cb 0.41 -0.09 0.06 0.00 1.34 0.00 0.00 72.50 74.22 1pmk s THR 15 CO 0.14 -0.07 0.82 0.42 -0.54 0.00 0.00 174.62 175.38 1pmk s THR 16 N -0.21 2.50 -1.29 3.99 -4.23 -0.44 -4.27 115.64 111.69 1pmk s THR 16 Ca -0.02 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1pmk s THR 16 Cb -0.02 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1pmk s THR 16 CO -0.00 0.00 0.09 0.41 -0.54 0.00 0.00 174.62 174.58 1pmk n THR 17 N -2.42 0.00 -1.78 3.99 -1.04 0.57 -2.13 114.28 111.48 1pmk n THR 17 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1pmk n THR 17 Cb 0.60 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1pmk n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1pmk n THR 18 N 0.16 0.00 -0.66 12.58 -2.24 -1.26 -4.97 114.28 117.88 1pmk n THR 18 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pmk n THR 18 Cb 0.02 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1pmk n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pmk n GLY 19 N 0.00 0.80 3.78 3.38 0.00 -0.90 -5.04 105.19 107.21 1pmk n GLY 19 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pmk n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pmk s LYS 20 N -0.34 2.67 0.03 1.61 -0.14 -1.26 -4.84 119.74 117.46 1pmk s LYS 20 Ca 0.00 1.25 0.04 0.00 -1.36 0.00 0.00 55.97 55.90 1pmk s LYS 20 Cb 0.00 -1.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.17 1pmk s LYS 20 CO 0.00 -1.33 -0.06 0.21 -0.76 0.00 0.00 175.35 173.40 1pmk s LYS 21 N -4.47 2.49 0.21 1.68 2.20 -1.26 -1.33 119.74 119.26 1pmk s LYS 21 Ca 0.64 -0.78 -0.27 0.00 -0.36 0.00 0.00 55.97 55.19 1pmk s LYS 21 Cb -0.18 -2.48 -0.09 0.00 -1.51 0.00 0.00 37.83 33.57 1pmk s LYS 21 CO 0.47 0.58 0.86 0.00 -0.36 0.00 0.00 175.35 176.90 1pmk s GLN 23 N -1.24 3.61 0.01 0.00 0.74 -0.07 -4.71 119.66 118.00 1pmk s GLN 23 Ca 0.39 0.91 -0.30 0.00 0.05 0.00 0.00 55.36 56.40 1pmk s GLN 23 Cb -0.24 -2.08 -0.05 0.00 1.10 0.00 0.00 33.01 31.73 1pmk s GLN 23 CO 0.29 -0.56 1.33 -1.12 -0.55 0.00 0.00 175.29 174.68 1pmk s SER 24 N -3.56 6.92 0.07 6.67 0.01 -1.26 -4.38 113.70 118.17 1pmk s SER 24 Ca 0.58 2.06 0.05 0.00 1.31 0.00 0.00 55.95 59.94 1pmk s SER 24 Cb -0.12 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 63.79 1pmk s SER 24 CO 0.44 -0.65 1.09 0.79 0.41 0.00 0.00 173.24 175.32 1pmk n TRP 25 N 5.00 0.15 -0.11 2.43 5.03 0.12 -1.54 117.44 128.53 1pmk n TRP 25 Ca 0.12 0.08 -0.23 0.00 3.03 0.00 0.00 57.50 60.50 1pmk n TRP 25 Cb 0.44 -0.58 -0.11 0.00 -1.03 0.00 0.00 31.31 30.03 1pmk n TRP 25 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1pmk n SER 26 N -1.63 1.88 -4.37 -0.99 3.41 -1.26 -4.40 113.62 106.26 1pmk n SER 26 Ca -0.00 0.40 -0.30 0.00 -0.26 0.00 0.00 58.87 58.71 1pmk n SER 26 Cb 0.06 -0.94 0.23 0.00 -0.26 0.00 0.00 64.21 63.30 1pmk n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pmk n SER 27 N -4.38 -2.14 -0.06 4.04 2.88 -0.59 -5.04 113.62 108.34 1pmk n SER 27 Ca -0.35 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1pmk n SER 27 Cb 0.72 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1pmk n SER 27 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1pmk n MET 28 N -3.84 0.00 0.23 -1.46 2.81 -1.26 -4.70 117.12 108.90 1pmk n MET 28 Ca 0.01 -0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.75 1pmk n MET 28 Cb 0.58 -0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.00 1pmk n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pmk h THR 29 N 3.23 0.57 -0.15 2.03 1.03 -1.97 -3.20 112.91 114.46 1pmk h THR 29 Ca 0.00 -0.25 -0.11 0.00 -0.01 0.00 0.00 66.41 66.04 1pmk h THR 29 Cb 1.00 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1pmk h THR 29 CO 0.00 0.05 -0.32 1.55 -0.01 0.00 0.00 175.52 176.79 1pmk h PRO 30 N -0.72 0.48 -2.70 0.00 0.13 -1.93 -3.45 132.00 123.80 1pmk h PRO 30 Ca -0.06 -0.32 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 1pmk h PRO 30 Cb 0.52 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 31.44 1pmk h PRO 30 CO 0.10 0.93 -0.26 -1.01 -0.23 0.00 0.00 178.00 177.52 1pmk s HIS 31 N -3.99 -0.51 -1.28 1.56 3.76 -1.21 -4.95 115.29 108.68 1pmk s HIS 31 Ca -0.13 1.17 -0.18 0.00 -0.15 0.00 0.00 55.06 55.77 1pmk s HIS 31 Cb 0.06 0.20 0.07 0.00 1.11 0.00 0.00 32.58 34.01 1pmk s HIS 31 CO 0.80 -0.26 1.73 0.50 -0.85 0.00 0.00 174.74 176.65 1pmk s ARG 32 N 0.65 3.96 0.00 1.40 3.52 -1.24 -4.22 118.95 123.02 1pmk s ARG 32 Ca -0.04 -1.95 0.00 0.00 -0.13 0.00 0.00 55.73 53.62 1pmk s ARG 32 Cb -0.05 -5.53 0.00 0.00 -1.56 0.00 0.00 34.95 27.81 1pmk s ARG 32 CO -0.04 -2.27 0.00 -2.39 -0.81 0.00 0.00 175.30 169.79 1pmk n HIS 33 N 8.46 -1.18 -2.05 5.12 1.44 -1.26 -5.01 115.22 120.73 1pmk n HIS 33 Ca 0.48 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 56.14 1pmk n HIS 33 Cb 0.46 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.52 1pmk n HIS 33 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1pmk n GLN 34 N -0.32 0.00 -2.95 -1.40 -0.06 -1.26 -5.00 117.38 106.39 1pmk n GLN 34 Ca 0.00 -0.97 -0.26 0.00 -2.00 0.00 0.00 57.00 53.77 1pmk n GLN 34 Cb 0.00 0.36 -0.04 0.00 -4.06 0.00 0.00 30.24 26.50 1pmk n GLN 34 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1pmk n LYS 35 N 0.05 3.09 -2.82 3.69 5.02 -1.26 -4.83 118.16 121.11 1pmk n LYS 35 Ca -0.20 -4.76 -0.30 0.00 -2.02 0.00 0.00 58.31 51.03 1pmk n LYS 35 Cb 0.72 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1pmk n LYS 35 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pmk s THR 37 N -4.35 4.80 0.58 -0.18 -4.23 -1.26 -4.82 115.64 106.17 1pmk s THR 37 Ca 0.48 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 61.85 1pmk s THR 37 Cb 0.29 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.74 1pmk s THR 37 CO -0.14 -0.56 2.11 -0.65 -0.54 0.00 0.00 174.62 174.84 1pmk h PRO 38 N 1.13 0.00 0.70 3.99 0.10 -1.80 3.35 132.00 139.47 1pmk h PRO 38 Ca -0.47 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.60 1pmk h PRO 38 Cb 1.19 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.30 1pmk h PRO 38 CO 0.64 0.00 -0.33 1.49 0.10 0.00 0.00 178.00 179.89 1pmk h GLU 39 N 0.00 -0.90 -0.81 1.05 4.81 -1.93 0.32 114.58 117.11 1pmk h GLU 39 Ca 0.08 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1pmk h GLU 39 Cb 0.45 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 1pmk h GLU 39 CO -0.00 -0.59 0.49 -0.91 -0.73 0.00 0.00 179.01 177.26 1pmk h ASN 40 N -1.24 0.74 -2.45 1.04 2.35 -1.32 -3.32 115.58 111.39 1pmk h ASN 40 Ca -0.10 0.03 -0.59 0.00 -0.55 0.00 0.00 56.30 55.09 1pmk h ASN 40 Cb 0.72 -0.12 -0.40 0.00 0.05 0.00 0.00 38.32 38.57 1pmk h ASN 40 CO 0.16 0.46 -0.81 -1.22 -1.65 0.00 0.00 177.43 174.37 1pmk n TYR 41 N -4.68 1.38 0.16 1.19 4.02 1.10 -4.95 117.16 115.37 1pmk n TYR 41 Ca 0.12 -3.83 -0.14 0.00 -0.01 0.00 0.00 57.90 54.04 1pmk n TYR 41 Cb 0.20 -0.30 -0.07 0.00 -0.02 0.00 0.00 39.34 39.15 1pmk n TYR 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1pmk h PRO 42 N 4.89 -0.36 -0.54 -0.72 0.13 -0.47 -3.15 132.00 131.79 1pmk h PRO 42 Ca 0.18 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1pmk h PRO 42 Cb 0.80 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1pmk h PRO 42 CO 0.59 -0.24 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 1pmk n ASN 43 N -5.27 0.54 -4.27 1.44 3.02 -1.26 -4.72 115.26 104.73 1pmk n ASN 43 Ca -0.09 -1.72 -0.32 0.00 -0.03 0.00 0.00 54.58 52.43 1pmk n ASN 43 Cb 0.19 -0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 1pmk n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pmk s ALA 44 N -1.37 2.23 -1.05 5.41 0.00 -1.19 -5.01 121.76 120.77 1pmk s ALA 44 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 1pmk s ALA 44 Cb 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 23.12 22.19 1pmk s ALA 44 CO 0.00 0.38 1.99 0.41 0.00 0.00 0.00 175.76 178.54 1pmk n GLY 45 N 3.09 0.49 2.96 0.00 0.00 -1.26 -4.73 105.19 105.74 1pmk n GLY 45 Ca -0.18 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1pmk n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pmk n LEU 46 N 15.90 6.55 0.00 0.99 4.32 -1.26 -4.96 117.00 138.54 1pmk n LEU 46 Ca 0.44 -5.16 -0.03 0.00 -0.02 0.00 0.00 56.01 51.24 1pmk n LEU 46 Cb 0.46 -1.29 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1pmk n LEU 46 CO 0.70 1.69 0.03 0.35 -1.22 0.00 0.00 177.39 178.93 1pmk n THR 47 N 1.46 0.00 0.00 -5.08 -2.24 -1.26 -4.54 114.28 102.62 1pmk n THR 47 Ca 0.29 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1pmk n THR 47 Cb 0.33 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1pmk n THR 47 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1pmk n MET 48 N -0.93 0.00 -0.95 -0.78 1.56 -1.26 -3.28 117.12 111.48 1pmk n MET 48 Ca 0.01 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1pmk n MET 48 Cb 0.07 0.00 0.16 0.00 2.15 0.00 0.00 33.22 35.60 1pmk n MET 48 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1pmk n ASN 49 N 0.00 2.36 -4.86 6.12 2.04 -1.26 0.13 115.26 119.78 1pmk n ASN 49 Ca 0.00 -3.78 -0.31 0.00 -0.44 0.00 0.00 54.58 50.04 1pmk n ASN 49 Cb 0.00 -0.48 -0.03 0.00 -2.53 0.00 0.00 39.78 36.74 1pmk n ASN 49 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 1pmk s TYR 50 N -3.20 3.49 0.22 -2.53 2.02 -1.21 -4.22 117.35 111.92 1pmk s TYR 50 Ca 0.40 1.26 -0.32 0.00 -0.37 0.00 0.00 57.07 58.04 1pmk s TYR 50 Cb 0.38 -2.63 -0.13 0.00 -0.40 0.00 0.00 41.96 39.17 1pmk s TYR 50 CO -0.05 -0.31 1.50 0.00 -1.57 0.00 0.00 175.55 175.11 1pmk s ARG 52 N 0.10 2.20 -0.48 0.00 1.81 0.35 -4.81 118.95 118.13 1pmk s ARG 52 Ca 0.72 -1.41 0.06 0.00 -1.72 0.00 0.00 55.73 53.38 1pmk s ARG 52 Cb -0.64 0.62 0.19 0.00 -0.45 0.00 0.00 34.95 34.67 1pmk s ARG 52 CO 0.45 -1.03 0.61 -1.71 -0.68 0.00 0.00 175.30 172.94 1pmk n ASN 53 N -1.37 -2.45 0.17 0.23 2.85 -1.26 0.31 115.26 113.73 1pmk n ASN 53 Ca -0.08 -2.76 0.13 0.00 -0.11 0.00 0.00 54.58 51.76 1pmk n ASN 53 Cb 0.60 1.00 0.40 0.00 1.24 0.00 0.00 39.78 43.02 1pmk n ASN 53 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pmk h PRO 54 N 5.13 0.00 -6.12 1.20 0.13 -1.95 -3.41 132.00 126.98 1pmk h PRO 54 Ca 0.12 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.71 1pmk h PRO 54 Cb 1.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 1pmk h PRO 54 CO 0.14 0.00 -0.49 0.16 -0.23 0.00 0.00 178.00 177.58 1pmk s ASP 55 N -5.10 6.06 0.00 1.44 1.47 -1.26 -4.98 116.67 114.30 1pmk s ASP 55 Ca 0.07 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.84 1pmk s ASP 55 Cb 0.09 -1.74 0.00 0.00 -0.34 0.00 0.00 42.92 40.93 1pmk s ASP 55 CO 0.57 0.03 0.78 0.00 0.68 0.00 0.00 175.17 177.22 1pmk n ALA 56 N -0.68 2.37 -0.53 2.11 0.00 -1.26 -4.78 120.51 117.74 1pmk n ALA 56 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1pmk n ALA 56 Cb 0.55 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 19.11 1pmk n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pmk n ASP 57 N 1.02 -1.36 0.06 0.00 2.03 -1.26 -4.96 116.55 112.08 1pmk n ASP 57 Ca 0.00 -0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.15 1pmk n ASP 57 Cb 0.30 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1pmk n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1pmk h LYS 58 N -2.50 -0.16 -2.63 -0.67 1.57 -1.86 -3.44 116.57 106.87 1pmk h LYS 58 Ca -0.57 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.29 1pmk h LYS 58 Cb 1.32 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.55 1pmk h LYS 58 CO 0.47 -0.11 0.36 0.20 -0.57 0.00 0.00 179.45 179.80 1pmk s GLY 60 N -2.34 -0.42 0.04 3.86 0.00 -1.02 -3.16 107.32 104.28 1pmk s GLY 60 Ca -0.14 0.48 -0.35 0.00 0.00 0.00 0.00 44.72 44.72 1pmk s GLY 60 CO 0.66 0.15 1.66 -1.05 0.00 0.00 0.00 173.10 174.52 1pmk n PRO 61 N -0.36 1.96 -4.47 2.90 -0.02 -1.25 -4.80 135.00 128.96 1pmk n PRO 61 Ca -0.10 0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1pmk n PRO 61 Cb 0.62 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 1pmk n PRO 61 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1pmk s TRP 62 N 2.08 2.48 0.21 6.00 1.48 0.90 -2.41 118.94 129.68 1pmk s TRP 62 Ca 0.85 -0.67 -0.20 0.00 -1.06 0.00 0.00 56.10 55.03 1pmk s TRP 62 Cb -0.75 -1.82 0.04 0.00 -1.16 0.00 0.00 33.47 29.77 1pmk s TRP 62 CO 0.45 0.34 0.60 0.00 -4.06 0.00 0.00 176.95 174.28 1pmk s PHE 64 N -3.86 3.47 0.38 0.00 0.08 -1.26 -0.84 117.98 115.96 1pmk s PHE 64 Ca 0.08 0.63 -0.12 0.00 0.12 0.00 0.00 56.93 57.64 1pmk s PHE 64 Cb -0.02 -2.36 -0.07 0.00 -0.57 0.00 0.00 43.02 40.00 1pmk s PHE 64 CO -0.03 0.25 0.76 0.99 -0.10 0.00 0.00 175.22 177.09 1pmk s THR 65 N 0.43 4.75 -1.99 0.64 2.01 1.76 -0.89 115.64 122.34 1pmk s THR 65 Ca 0.18 0.74 0.30 0.00 0.31 0.00 0.00 61.69 63.21 1pmk s THR 65 Cb -0.13 -3.69 0.67 0.00 0.01 0.00 0.00 72.50 69.35 1pmk s THR 65 CO 0.05 -0.41 1.99 1.07 -0.69 0.00 0.00 174.62 176.62 1pmk n THR 66 N -0.99 0.00 -3.48 -0.82 5.66 -1.16 -4.65 114.28 108.84 1pmk n THR 66 Ca 0.03 -0.08 -0.41 0.00 -3.05 0.00 0.00 64.05 60.54 1pmk n THR 66 Cb 0.54 -0.13 -0.10 0.00 -1.55 0.00 0.00 70.33 69.09 1pmk n THR 66 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pmk s ASP 67 N -2.17 6.10 0.65 1.09 2.15 -1.25 -4.95 116.67 118.29 1pmk s ASP 67 Ca 0.39 -0.42 0.33 0.00 0.43 0.00 0.00 52.55 53.28 1pmk s ASP 67 Cb 0.21 -2.16 1.81 0.00 -0.30 0.00 0.00 42.92 42.48 1pmk s ASP 67 CO 0.40 -0.30 2.05 -0.65 -0.17 0.00 0.00 175.17 176.50 1pmk h PRO 68 N 8.50 0.00 0.05 4.34 0.11 -1.92 0.43 132.00 143.51 1pmk h PRO 68 Ca -0.30 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.55 1pmk h PRO 68 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1pmk h PRO 68 CO 0.67 0.00 -1.29 1.03 -0.21 0.00 0.00 178.00 178.19 1pmk h SER 69 N 0.00 0.15 -3.71 -2.05 0.87 -1.97 -3.44 113.55 103.41 1pmk h SER 69 Ca 0.03 -0.19 -0.68 0.00 -1.23 0.00 0.00 61.79 59.72 1pmk h SER 69 Cb 0.52 -0.05 -0.36 0.00 -0.44 0.00 0.00 62.40 62.07 1pmk h SER 69 CO -0.00 1.16 -0.70 -0.69 -0.53 0.00 0.00 176.83 176.07 1pmk s VAL 70 N -2.66 2.65 0.00 2.23 1.01 0.15 -5.00 120.40 118.79 1pmk s VAL 70 Ca -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1pmk s VAL 70 Cb 0.08 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1pmk s VAL 70 CO 0.84 -0.36 0.69 -1.14 0.00 0.00 0.00 175.10 175.13 1pmk n ARG 71 N 4.46 0.00 -4.17 2.72 0.63 -1.25 -3.64 116.66 115.41 1pmk n ARG 71 Ca -0.06 0.43 -0.16 0.00 -0.92 0.00 0.00 57.85 57.14 1pmk n ARG 71 Cb 0.42 -1.19 -0.06 0.00 0.45 0.00 0.00 32.46 32.08 1pmk n ARG 71 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1pmk s TRP 72 N -1.77 1.33 0.00 -0.14 1.48 -1.26 0.48 118.94 119.06 1pmk s TRP 72 Ca 0.00 -1.44 0.00 0.00 -1.06 0.00 0.00 56.10 53.60 1pmk s TRP 72 Cb 0.00 -0.36 0.00 0.00 -1.16 0.00 0.00 33.47 31.95 1pmk s TRP 72 CO 0.00 -1.00 0.00 -0.85 -4.06 0.00 0.00 176.95 171.04 1pmk n GLU 73 N -0.57 0.00 -0.85 3.25 0.28 -0.02 -4.63 120.64 118.10 1pmk n GLU 73 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.70 1pmk n GLU 73 Cb 0.62 0.00 0.11 0.00 1.43 0.00 0.00 31.44 33.60 1pmk n GLU 73 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1pmk n TYR 74 N -0.16 -1.54 -4.93 -1.84 4.01 -1.26 -3.40 117.16 108.05 1pmk n TYR 74 Ca 0.00 0.23 -0.26 0.00 -0.16 0.00 0.00 57.90 57.71 1pmk n TYR 74 Cb 0.00 -1.78 -0.16 0.00 -0.31 0.00 0.00 39.34 37.09 1pmk n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pmk s ASN 76 N -0.41 6.66 0.06 0.00 3.04 -1.26 -4.72 114.94 118.31 1pmk s ASN 76 Ca 0.06 -2.12 0.10 0.00 0.04 0.00 0.00 52.86 50.94 1pmk s ASN 76 Cb -0.08 -2.39 -0.03 0.00 -1.54 0.00 0.00 41.25 37.21 1pmk s ASN 76 CO -0.00 -1.03 -0.27 -1.48 -3.04 0.00 0.00 177.10 171.28 1pmk s LEU 77 N 2.53 2.20 0.30 3.21 2.34 -1.26 -5.03 118.68 122.96 1pmk s LEU 77 Ca 0.33 -0.62 -0.28 0.00 0.06 0.00 0.00 54.13 53.62 1pmk s LEU 77 Cb -0.05 -1.28 -0.09 0.00 -0.56 0.00 0.00 46.19 44.21 1pmk s LEU 77 CO -0.09 0.24 1.01 -0.75 -1.06 0.00 0.00 176.35 175.70 1pmk s LYS 78 N -1.39 4.60 0.95 1.48 2.36 -1.26 -4.99 119.74 121.49 1pmk s LYS 78 Ca 0.12 1.54 -0.12 0.00 -2.55 0.00 0.00 55.97 54.96 1pmk s LYS 78 Cb -0.10 -3.00 0.16 0.00 -1.05 0.00 0.00 37.83 33.84 1pmk s LYS 78 CO 0.03 0.25 1.12 0.15 1.55 0.00 0.00 175.35 178.45 1pmk s LYS 79 N -1.71 0.82 0.00 4.03 1.02 -1.26 -3.25 119.74 119.39 1pmk s LYS 79 Ca 0.47 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.85 1pmk s LYS 79 Cb -0.25 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1pmk s LYS 79 CO 0.32 -2.44 0.00 0.00 -0.92 0.00 0.00 175.35 172.31