#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntk s ARG 2 N 0.00 0.46 0.27 1.61 1.70 -1.26 -5.15 118.95 116.58 1ntk s ARG 2 Ca 0.00 0.02 0.07 0.00 -0.47 0.00 0.00 55.73 55.35 1ntk s ARG 2 Cb 0.00 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 1ntk s ARG 2 CO 0.00 -0.12 0.18 -0.65 -1.08 0.00 0.00 175.30 173.64 1ntk s GLN 3 N 0.97 2.81 0.43 3.89 -0.21 -1.26 -5.05 119.66 121.25 1ntk s GLN 3 Ca -0.10 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 53.89 1ntk s GLN 3 Cb -0.14 -2.49 -0.08 0.00 1.00 0.00 0.00 33.01 31.30 1ntk s GLN 3 CO -0.01 0.35 1.26 -0.06 -2.12 0.00 0.00 175.29 174.71 1ntk s PHE 4 N -2.19 2.80 0.00 0.91 0.08 -1.26 -2.49 117.98 115.84 1ntk s PHE 4 Ca 0.34 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.84 1ntk s PHE 4 Cb -0.07 -3.59 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 1ntk s PHE 4 CO 0.24 -1.96 0.00 0.41 -0.10 0.00 0.00 175.22 173.81 1ntk n GLY 5 N 0.63 2.91 0.49 4.36 0.00 -1.26 -4.83 105.19 107.50 1ntk n GLY 5 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1ntk n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ntk n HIS 6 N -0.95 0.00 0.00 1.61 8.25 -1.04 -4.90 115.22 118.19 1ntk n HIS 6 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 1ntk n HIS 6 Cb 0.00 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1ntk n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ntk n LEU 7 N -1.01 0.49 -3.87 2.41 4.77 -1.24 -4.82 117.00 113.74 1ntk n LEU 7 Ca 0.16 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1ntk n LEU 7 Cb 0.72 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1ntk n LEU 7 CO -0.02 -0.40 0.45 0.28 -1.33 0.00 0.00 177.39 176.37 1ntk s THR 8 N -0.79 0.00 -0.23 -5.08 -1.32 -1.26 -5.13 115.64 101.82 1ntk s THR 8 Ca 0.00 -1.13 -0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1ntk s THR 8 Cb 0.00 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1ntk s THR 8 CO 0.00 0.00 0.29 -0.60 -2.21 0.00 0.00 174.62 172.10 1ntk s ARG 9 N -2.35 4.10 -0.13 7.08 3.52 -1.26 -5.03 118.95 124.87 1ntk s ARG 9 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1ntk s ARG 9 Cb -0.04 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1ntk s ARG 9 CO 0.14 -0.04 -0.11 0.08 -0.81 0.00 0.00 175.30 174.55 1ntk s VAL 10 N 1.35 1.30 0.00 7.11 1.01 -1.26 -5.09 120.40 124.82 1ntk s VAL 10 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ntk s VAL 10 Cb -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1ntk s VAL 10 CO 0.07 0.41 0.00 -2.11 0.00 0.00 0.00 175.10 173.47 1ntk n ARG 11 N 4.85 0.00 -2.53 2.72 1.85 -1.26 -4.85 116.66 117.44 1ntk n ARG 11 Ca -0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.37 1ntk n ARG 11 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1ntk n ARG 11 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ntk n HIS 12 N 0.00 3.36 -4.22 2.89 8.25 -1.26 -5.00 115.22 119.24 1ntk n HIS 12 Ca 0.00 -3.07 -0.34 0.00 -0.26 0.00 0.00 57.72 54.05 1ntk n HIS 12 Cb 0.00 -0.71 -0.14 0.00 1.12 0.00 0.00 29.99 30.27 1ntk n HIS 12 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ntk s VAL 13 N -4.84 3.37 0.13 1.59 0.11 -1.26 -5.09 120.40 114.41 1ntk s VAL 13 Ca 0.47 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 1ntk s VAL 13 Cb 0.32 -2.49 -0.07 0.00 -1.53 0.00 0.00 36.38 32.61 1ntk s VAL 13 CO -0.21 0.46 0.57 -0.63 -3.33 0.00 0.00 175.10 171.96 1ntk s ILE 14 N 1.00 4.80 -0.21 7.04 1.01 -1.26 -5.06 121.20 128.51 1ntk s ILE 14 Ca -0.00 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 1ntk s ILE 14 Cb -0.15 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.59 1ntk s ILE 14 CO -0.00 0.34 0.02 -0.89 0.00 0.00 0.00 174.94 174.41 1ntk s THR 15 N -1.35 0.78 0.06 2.92 2.01 -1.26 -5.11 115.64 113.68 1ntk s THR 15 Ca 0.35 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 1ntk s THR 15 Cb -0.17 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 1ntk s THR 15 CO 0.19 -0.22 0.55 -0.31 -0.69 0.00 0.00 174.62 174.14 1ntk s TYR 16 N 1.73 3.79 0.15 4.92 1.51 -1.26 -5.08 117.35 123.11 1ntk s TYR 16 Ca -0.01 1.23 -0.05 0.00 -1.01 0.00 0.00 57.07 57.23 1ntk s TYR 16 Cb -0.18 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1ntk s TYR 16 CO -0.09 0.58 0.17 -1.54 -1.11 0.00 0.00 175.55 173.56 1ntk s SER 17 N -1.03 0.18 0.04 2.29 1.04 -1.26 -5.18 113.70 109.78 1ntk s SER 17 Ca 0.28 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.70 1ntk s SER 17 Cb -0.19 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1ntk s SER 17 CO 0.18 -0.81 -0.12 -0.22 0.98 0.00 0.00 173.24 173.25 1ntk s LEU 18 N -3.02 2.18 0.41 2.42 0.20 -1.26 -5.13 118.68 114.48 1ntk s LEU 18 Ca 0.21 -0.44 -0.27 0.00 0.69 0.00 0.00 54.13 54.33 1ntk s LEU 18 Cb 0.05 -0.47 -0.10 0.00 -0.43 0.00 0.00 46.19 45.24 1ntk s LEU 18 CO 0.01 -0.02 1.42 -0.24 -0.29 0.00 0.00 176.35 177.24 1ntk n SER 19 N 1.90 3.35 0.21 3.68 2.88 -1.26 -4.91 113.62 119.47 1ntk n SER 19 Ca -0.19 1.17 0.07 0.00 -1.33 0.00 0.00 58.87 58.60 1ntk n SER 19 Cb 0.55 -1.58 0.48 0.00 -0.75 0.00 0.00 64.21 62.91 1ntk n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ntk h PRO 20 N 2.54 0.00 -0.00 -1.46 0.11 -2.00 -1.28 132.00 129.91 1ntk h PRO 20 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ntk h PRO 20 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ntk h PRO 20 CO 0.62 0.28 0.00 1.19 -0.21 0.00 0.00 178.00 179.88 1ntk n PHE 21 N -3.74 0.00 0.39 0.65 3.01 -1.26 -3.31 117.46 113.21 1ntk n PHE 21 Ca -0.01 -0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 1ntk n PHE 21 Cb 0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 1ntk n PHE 21 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ntk n GLU 22 N -0.94 3.86 -4.58 -1.08 4.07 -0.49 -5.04 120.64 116.44 1ntk n GLU 22 Ca 0.21 -0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 57.04 1ntk n GLU 22 Cb 0.10 -0.93 -0.09 0.00 -0.06 0.00 0.00 31.44 30.45 1ntk n GLU 22 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1ntk s GLN 23 N -1.88 1.93 0.16 5.31 -2.07 -1.20 -5.02 119.66 116.90 1ntk s GLN 23 Ca 0.03 -2.15 -0.14 0.00 -1.82 0.00 0.00 55.36 51.28 1ntk s GLN 23 Cb 0.07 -1.07 -0.07 0.00 -1.09 0.00 0.00 33.01 30.85 1ntk s GLN 23 CO 0.36 -0.31 0.55 1.03 -1.32 0.00 0.00 175.29 175.61 1ntk s ARG 24 N -3.80 3.96 0.35 9.60 0.52 -1.26 -4.95 118.95 123.37 1ntk s ARG 24 Ca 0.24 0.47 0.24 0.00 -0.52 0.00 0.00 55.73 56.16 1ntk s ARG 24 Cb 0.05 -2.88 0.43 0.00 0.52 0.00 0.00 34.95 33.07 1ntk s ARG 24 CO 0.12 0.45 1.59 0.00 0.02 0.00 0.00 175.30 177.48 1ntk h ALA 25 N 3.38 0.94 -2.09 2.13 0.00 -2.01 -3.36 119.26 118.26 1ntk h ALA 25 Ca -0.48 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 1ntk h ALA 25 Cb 1.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 1ntk h ALA 25 CO 0.66 0.00 -1.01 1.19 0.00 0.00 0.00 179.25 180.09 1ntk n PHE 26 N -2.82 1.32 0.00 0.00 3.01 -1.26 -5.05 117.46 112.67 1ntk n PHE 26 Ca 0.04 -3.85 0.00 0.00 1.01 0.00 0.00 57.45 54.65 1ntk n PHE 26 Cb 0.50 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1ntk n PHE 26 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1ntk n PRO 27 N 0.32 0.00 -3.17 -1.08 -0.02 -1.26 -3.24 135.00 126.56 1ntk n PRO 27 Ca 0.26 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.75 1ntk n PRO 27 Cb 0.56 -0.55 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1ntk n PRO 27 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ntk n HIS 28 N -0.70 2.53 -0.29 6.00 8.25 -1.26 -4.99 115.22 124.76 1ntk n HIS 28 Ca 0.00 -3.94 -0.02 0.00 -0.26 0.00 0.00 57.72 53.49 1ntk n HIS 28 Cb 0.00 -0.48 0.04 0.00 1.12 0.00 0.00 29.99 30.67 1ntk n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1ntk h TYR 29 N 3.49 -0.91 0.03 4.41 -0.00 -1.96 -0.47 116.97 121.56 1ntk h TYR 29 Ca 0.14 0.09 -0.32 0.00 -0.00 0.00 0.00 58.73 58.63 1ntk h TYR 29 Cb 0.70 0.51 -0.04 0.00 -0.00 0.00 0.00 36.73 37.90 1ntk h TYR 29 CO 0.66 -0.39 -1.79 1.19 -0.00 0.00 0.00 178.16 177.83 1ntk n PHE 30 N -5.47 0.82 -0.25 -3.82 3.01 -1.26 -1.84 117.46 108.66 1ntk n PHE 30 Ca 0.08 0.28 -0.05 0.00 1.01 0.00 0.00 57.45 58.77 1ntk n PHE 30 Cb 0.38 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.76 1ntk n PHE 30 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ntk h SER 31 N -0.62 -1.31 0.26 4.37 0.02 -1.95 -2.65 113.55 111.67 1ntk h SER 31 Ca -0.45 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 1ntk h SER 31 Cb 1.61 0.64 -0.01 0.00 0.14 0.00 0.00 62.40 64.78 1ntk h SER 31 CO -0.16 -0.31 -1.78 0.29 -1.14 0.00 0.00 176.83 173.73 1ntk n LYS 32 N -5.43 0.65 0.16 3.45 5.02 -0.20 -4.56 118.16 117.25 1ntk n LYS 32 Ca 0.05 -0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1ntk n LYS 32 Cb 0.36 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1ntk n LYS 32 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ntk h GLY 33 N 3.98 -0.43 -0.11 0.72 0.00 -1.03 -3.15 103.07 103.06 1ntk h GLY 33 Ca -0.06 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1ntk h GLY 33 CO 0.01 -0.16 -0.45 -2.22 0.00 0.00 0.00 176.54 173.72 1ntk h ILE 34 N -0.45 0.10 -0.92 2.60 2.04 -1.66 -1.31 117.51 117.91 1ntk h ILE 34 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.08 1ntk h ILE 34 Cb 0.31 0.10 -0.15 0.00 -0.74 0.00 0.00 36.82 36.35 1ntk h ILE 34 CO 0.07 0.00 0.30 -0.65 0.00 0.00 0.00 178.15 177.87 1ntk h PRO 35 N -0.47 0.20 -0.31 2.37 0.11 -1.79 -0.52 132.00 131.59 1ntk h PRO 35 Ca 0.08 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1ntk h PRO 35 Cb 0.63 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1ntk h PRO 35 CO -0.46 0.13 -0.06 -0.91 -0.21 0.00 0.00 178.00 176.50 1ntk h ASN 36 N 0.21 0.59 0.35 -2.05 2.35 -1.21 -1.09 115.58 114.73 1ntk h ASN 36 Ca 0.61 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1ntk h ASN 36 Cb 1.28 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1ntk h ASN 36 CO -0.67 0.80 -0.35 1.62 -1.65 0.00 0.00 177.43 177.18 1ntk h VAL 37 N 0.36 1.26 0.44 2.81 3.04 -0.79 0.21 116.25 123.57 1ntk h VAL 37 Ca 0.08 -1.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 1ntk h VAL 37 Cb 0.54 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1ntk h VAL 37 CO 0.03 0.35 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.66 1ntk h LEU 38 N 0.01 -0.50 -0.77 3.16 3.38 -0.95 0.33 115.31 119.97 1ntk h LEU 38 Ca -0.00 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1ntk h LEU 38 Cb 0.63 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1ntk h LEU 38 CO 0.05 -0.34 0.36 -0.09 0.09 0.00 0.00 178.44 178.51 1ntk h ARG 39 N -0.61 0.55 -0.08 1.13 2.43 -0.40 0.31 114.38 117.71 1ntk h ARG 39 Ca -0.06 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 1ntk h ARG 39 Cb 0.46 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ntk h ARG 39 CO 0.10 0.36 -0.72 0.00 -1.51 0.00 0.00 179.97 178.20 1ntk h ARG 40 N 0.56 0.41 -0.04 0.20 3.08 -0.52 -0.83 114.38 117.25 1ntk h ARG 40 Ca 0.41 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ntk h ARG 40 Cb 0.54 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1ntk h ARG 40 CO -0.34 0.97 0.01 1.15 -1.07 0.00 0.00 179.97 180.69 1ntk h THR 41 N 0.28 1.21 -0.12 2.04 2.02 0.14 -2.61 112.91 115.87 1ntk h THR 41 Ca -0.03 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.56 1ntk h THR 41 Cb 1.30 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 1ntk h THR 41 CO 0.12 0.17 -0.10 -0.09 0.37 0.00 0.00 175.52 175.99 1ntk h ARG 42 N -0.18 -0.12 -0.01 6.66 2.43 -0.41 0.28 114.38 123.03 1ntk h ARG 42 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ntk h ARG 42 Cb 0.27 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ntk h ARG 42 CO 0.00 -0.08 0.29 0.00 -1.51 0.00 0.00 179.97 178.67 1ntk h ALA 43 N 0.97 1.31 0.00 2.80 0.00 -1.02 -3.10 119.26 120.22 1ntk h ALA 43 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ntk h ALA 43 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ntk h ALA 43 CO -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1ntk h ILE 45 N 0.09 0.10 0.00 0.00 2.04 -0.44 -2.21 117.51 117.09 1ntk h ILE 45 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ntk h ILE 45 Cb 0.04 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1ntk h ILE 45 CO 0.00 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 1ntk h LEU 46 N -0.31 0.00 0.00 1.44 3.38 -1.86 0.96 115.31 118.93 1ntk h LEU 46 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1ntk h LEU 46 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ntk h LEU 46 CO -0.60 0.00 -1.95 -2.11 0.09 0.00 0.00 178.44 173.87 1ntk n ARG 47 N -2.64 0.97 -0.09 1.13 0.00 -0.86 -4.53 116.66 110.65 1ntk n ARG 47 Ca -0.02 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.85 57.63 1ntk n ARG 47 Cb 0.28 -1.41 -0.06 0.00 -0.00 0.00 0.00 32.46 31.27 1ntk n ARG 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ntk h VAL 48 N 0.00 0.43 0.13 8.89 2.07 -1.03 -3.44 116.25 123.31 1ntk h VAL 48 Ca -0.23 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 65.77 1ntk h VAL 48 Cb 1.42 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1ntk h VAL 48 CO 0.01 0.15 -0.33 0.00 0.02 0.00 0.00 177.57 177.42 1ntk h ALA 49 N -0.76 -0.57 -0.97 1.67 0.00 -1.07 -3.33 119.26 114.22 1ntk h ALA 49 Ca -0.16 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.87 1ntk h ALA 49 Cb 0.86 0.54 -0.17 0.00 0.00 0.00 0.00 17.79 19.01 1ntk h ALA 49 CO -0.10 -0.88 -0.30 -1.35 0.00 0.00 0.00 179.25 176.63 1ntk h PRO 50 N -0.56 -0.00 0.00 0.00 0.11 -1.80 0.06 132.00 129.80 1ntk h PRO 50 Ca 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1ntk h PRO 50 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1ntk h PRO 50 CO -0.18 -0.00 -0.15 -1.35 -0.21 0.00 0.00 178.00 176.10 1ntk h PRO 51 N -0.00 0.00 -0.12 1.05 0.11 -1.86 -2.16 132.00 129.02 1ntk h PRO 51 Ca 0.42 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.30 1ntk h PRO 51 Cb 0.67 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.79 1ntk h PRO 51 CO -0.99 0.15 -0.83 0.74 -0.21 0.00 0.00 178.00 176.86 1ntk h PHE 52 N 0.00 1.05 -0.31 0.65 0.04 -1.15 -1.71 116.94 115.51 1ntk h PHE 52 Ca -0.00 -0.48 -0.11 0.00 2.80 0.00 0.00 57.97 60.17 1ntk h PHE 52 Cb 0.28 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1ntk h PHE 52 CO 0.00 1.32 -0.26 -0.39 -0.60 0.00 0.00 178.31 178.38 1ntk h VAL 53 N 0.50 1.27 -0.21 -0.55 -1.51 -1.27 0.68 116.25 115.17 1ntk h VAL 53 Ca -0.07 -1.34 0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1ntk h VAL 53 Cb 1.47 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 31.91 1ntk h VAL 53 CO 0.17 0.44 0.01 0.00 -1.23 0.00 0.00 177.57 176.95 1ntk h ALA 54 N 1.17 0.19 -0.04 5.19 0.00 -1.31 1.05 119.26 125.51 1ntk h ALA 54 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ntk h ALA 54 Cb 0.73 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ntk h ALA 54 CO 0.06 -0.42 0.03 0.35 0.00 0.00 0.00 179.25 179.26 1ntk h PHE 55 N 0.08 0.05 -0.61 0.00 3.04 -1.00 -1.60 116.94 116.90 1ntk h PHE 55 Ca 0.10 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.17 1ntk h PHE 55 Cb 0.11 -0.02 -0.11 0.00 2.56 0.00 0.00 35.95 38.50 1ntk h PHE 55 CO -0.17 0.04 -0.02 -0.92 -2.02 0.00 0.00 178.31 175.22 1ntk h TYR 56 N 0.05 -0.08 -0.68 0.41 5.03 0.20 0.22 116.97 122.11 1ntk h TYR 56 Ca 0.01 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1ntk h TYR 56 Cb 0.00 0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 1ntk h TYR 56 CO -0.07 -0.18 0.25 -0.07 -1.32 0.00 0.00 178.16 176.77 1ntk h LEU 57 N 0.10 0.95 -1.12 2.82 3.38 0.14 -2.64 115.31 118.94 1ntk h LEU 57 Ca 0.32 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1ntk h LEU 57 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ntk h LEU 57 CO -0.54 0.88 -0.37 0.58 0.09 0.00 0.00 178.44 179.08 1ntk h VAL 58 N 0.97 0.99 -0.10 1.22 2.07 -0.27 -2.38 116.25 118.75 1ntk h VAL 58 Ca 0.22 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 1ntk h VAL 58 Cb 0.24 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1ntk h VAL 58 CO -0.01 0.36 -0.33 0.22 0.02 0.00 0.00 177.57 177.82 1ntk h TYR 59 N 0.00 0.53 -0.17 1.57 3.20 -0.35 -1.44 116.97 120.30 1ntk h TYR 59 Ca -0.00 -0.22 -0.21 0.00 3.14 0.00 0.00 58.73 61.44 1ntk h TYR 59 Cb 0.79 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.98 1ntk h TYR 59 CO 0.00 0.95 -0.73 1.79 -1.64 0.00 0.00 178.16 178.53 1ntk h THR 60 N -0.03 1.28 -0.24 1.81 1.35 -1.46 -2.65 112.91 112.97 1ntk h THR 60 Ca -0.01 -1.92 -0.10 0.00 -0.55 0.00 0.00 66.41 63.83 1ntk h THR 60 Cb 0.96 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1ntk h THR 60 CO 0.07 0.61 -0.28 -0.25 -0.25 0.00 0.00 175.52 175.42 1ntk h TRP 61 N 0.54 0.52 -0.40 4.73 7.01 -1.54 -2.33 115.95 124.48 1ntk h TRP 61 Ca -0.04 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.79 1ntk h TRP 61 Cb 1.35 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 1ntk h TRP 61 CO 0.09 0.70 0.04 0.78 -2.79 0.00 0.00 178.44 177.26 1ntk h GLY 62 N 1.04 0.73 1.07 2.65 0.00 -1.18 -2.17 103.07 105.22 1ntk h GLY 62 Ca 0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1ntk h GLY 62 CO 0.05 0.47 -0.63 -0.91 0.00 0.00 0.00 176.54 175.52 1ntk h THR 63 N 0.52 1.30 -0.23 4.70 1.35 -1.49 -2.87 112.91 116.18 1ntk h THR 63 Ca 0.12 -1.85 0.03 0.00 -0.55 0.00 0.00 66.41 64.15 1ntk h THR 63 Cb 0.41 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.74 1ntk h THR 63 CO 0.01 0.58 -0.26 -0.61 -0.25 0.00 0.00 175.52 174.99 1ntk h GLN 64 N 0.44 -0.15 -0.02 4.72 5.75 -1.34 0.11 115.11 124.61 1ntk h GLN 64 Ca -0.03 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1ntk h GLN 64 Cb 1.25 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.84 1ntk h GLN 64 CO 0.13 -0.10 0.10 1.49 -2.65 0.00 0.00 178.83 177.80 1ntk h GLU 65 N -0.16 0.00 -0.06 1.69 4.57 -1.47 -1.37 114.58 117.78 1ntk h GLU 65 Ca 0.04 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.02 1ntk h GLU 65 Cb 0.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1ntk h GLU 65 CO -0.30 0.00 -0.80 0.35 -1.18 0.00 0.00 179.01 177.08 1ntk h PHE 66 N 0.00 0.59 0.08 0.92 3.57 -0.57 -2.19 116.94 119.34 1ntk h PHE 66 Ca 0.01 -0.28 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 1ntk h PHE 66 Cb 0.21 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.87 1ntk h PHE 66 CO 0.00 1.06 -0.65 0.93 -2.23 0.00 0.00 178.31 177.42 1ntk h GLU 67 N 0.27 0.17 0.00 1.11 5.08 -0.70 -3.27 114.58 117.25 1ntk h GLU 67 Ca -0.05 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ntk h GLU 67 Cb 1.40 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1ntk h GLU 67 CO 0.14 1.14 0.00 1.63 -1.00 0.00 0.00 179.01 180.92 1ntk n LYS 68 N -4.29 0.19 0.03 2.33 4.76 -0.59 -0.57 118.16 120.02 1ntk n LYS 68 Ca -0.15 0.16 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1ntk n LYS 68 Cb 0.71 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.25 1ntk n LYS 68 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ntk h SER 69 N 0.00 0.36 0.00 4.39 0.87 -1.44 -3.34 113.55 114.39 1ntk h SER 69 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1ntk h SER 69 Cb 0.09 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1ntk h SER 69 CO 0.00 1.53 -0.58 0.29 -0.53 0.00 0.00 176.83 177.54 1ntk n LYS 70 N -3.41 0.31 0.07 2.24 5.02 -0.91 -3.64 118.16 117.83 1ntk n LYS 70 Ca -0.22 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.05 1ntk n LYS 70 Cb 1.05 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.97 1ntk n LYS 70 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ntk h ARG 71 N -0.58 -0.60 -0.29 1.97 1.12 -1.11 0.16 114.38 115.04 1ntk h ARG 71 Ca 0.00 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 58.97 1ntk h ARG 71 Cb 0.58 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1ntk h ARG 71 CO 0.00 -0.40 0.20 -0.22 -3.11 0.00 0.00 179.97 176.44 1ntk h LYS 72 N -0.63 0.11 -0.19 0.20 3.64 -1.66 -3.34 116.57 114.71 1ntk h LYS 72 Ca 0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ntk h LYS 72 Cb 0.69 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1ntk h LYS 72 CO -0.32 0.07 -0.09 0.09 -2.27 0.00 0.00 179.45 176.93 1ntk n ASN 73 N -4.47 -0.16 -4.42 4.20 4.13 0.56 -0.85 115.26 114.24 1ntk n ASN 73 Ca 0.03 0.33 -0.43 0.00 1.68 0.00 0.00 54.58 56.20 1ntk n ASN 73 Cb 0.29 -0.06 -0.09 0.00 -1.54 0.00 0.00 39.78 38.38 1ntk n ASN 73 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ntk s PRO 74 N -5.14 2.96 2.70 3.52 0.05 -1.25 -4.42 135.00 133.42 1ntk s PRO 74 Ca -0.02 -1.16 0.00 0.00 0.05 0.00 0.00 61.00 59.87 1ntk s PRO 74 Cb 0.03 -4.02 0.00 0.00 0.05 0.00 0.00 34.50 30.56 1ntk s PRO 74 CO 0.13 -0.86 0.00 0.00 0.05 0.00 0.00 177.00 176.32 1ntk n ALA 75 N 5.16 0.00 -2.85 8.56 0.00 -0.03 -4.99 120.51 126.35 1ntk n ALA 75 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 1ntk n ALA 75 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 1ntk n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ntk s ALA 76 N -1.22 2.36 -0.43 0.00 0.00 -1.26 -5.01 121.76 116.19 1ntk s ALA 76 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1ntk s ALA 76 Cb 0.00 -0.87 0.25 0.00 0.00 0.00 0.00 23.12 22.49 1ntk s ALA 76 CO 0.00 0.38 0.69 0.98 0.00 0.00 0.00 175.76 177.81 1ntk n TYR 77 N 3.07 -1.70 -3.59 0.00 9.36 -1.26 -5.13 117.16 117.90 1ntk n TYR 77 Ca -0.18 -2.75 -0.40 0.00 3.32 0.00 0.00 57.90 57.89 1ntk n TYR 77 Cb 0.52 0.51 -0.11 0.00 -0.63 0.00 0.00 39.34 39.63 1ntk n TYR 77 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ntk s GLU 78 N -0.35 3.08 0.00 2.98 2.02 -1.26 -5.24 118.70 119.92 1ntk s GLU 78 Ca 0.34 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1ntk s GLU 78 Cb 0.20 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1ntk s GLU 78 CO -0.17 -0.59 0.00 0.09 0.02 0.00 0.00 175.26 174.61