#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9k s SER 2 N 0.00 -0.55 -0.06 1.61 1.04 -1.26 -5.05 113.70 109.44 1p9k s SER 2 Ca 0.00 1.02 0.05 0.00 0.48 0.00 0.00 55.95 57.50 1p9k s SER 2 Cb 0.00 1.03 -0.24 0.00 0.10 0.00 0.00 66.02 66.91 1p9k s SER 2 CO 0.00 -0.22 0.62 -0.03 0.98 0.00 0.00 173.24 174.59 1p9k h MET 3 N 5.12 0.11 -6.29 4.02 -1.53 -2.09 -3.45 114.93 110.82 1p9k h MET 3 Ca -0.28 -0.18 -0.55 0.00 -3.44 0.00 0.00 59.70 55.25 1p9k h MET 3 Cb 1.17 0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 32.26 1p9k h MET 3 CO 0.19 0.79 0.56 0.42 0.14 0.00 0.00 176.91 179.01 1p9k s ILE 4 N -2.59 4.71 0.00 1.77 1.01 -1.26 -4.98 121.20 119.86 1p9k s ILE 4 Ca -0.10 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1p9k s ILE 4 Cb 0.07 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1p9k s ILE 4 CO 0.81 0.02 0.00 1.41 0.00 0.00 0.00 174.94 177.18 1p9k n HIS 5 N 4.89 -0.56 0.05 3.97 8.25 -1.26 -5.04 115.22 125.52 1p9k n HIS 5 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 1p9k n HIS 5 Cb 0.49 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 1p9k n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p9k h ARG 6 N 0.00 0.07 -7.62 -0.41 3.08 -2.02 -3.46 114.38 104.02 1p9k h ARG 6 Ca 0.00 -0.12 -0.44 0.00 0.07 0.00 0.00 59.98 59.49 1p9k h ARG 6 Cb 0.00 0.04 0.16 0.00 0.08 0.00 0.00 29.97 30.25 1p9k h ARG 6 CO 0.00 0.96 0.32 1.41 -1.07 0.00 0.00 179.97 181.59 1p9k s MET 7 N -2.67 0.39 -0.04 0.04 1.75 -1.26 -5.09 119.30 112.42 1p9k s MET 7 Ca -0.02 -0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 54.30 1p9k s MET 7 Cb 0.09 -1.79 0.03 0.00 2.84 0.00 0.00 34.83 36.00 1p9k s MET 7 CO 0.83 -2.63 0.05 -1.12 -0.65 0.00 0.00 175.02 171.50 1p9k s SER 8 N -4.41 0.85 -1.08 1.11 0.01 -1.26 -5.07 113.70 103.86 1p9k s SER 8 Ca 0.70 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.78 1p9k s SER 8 Cb -0.08 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1p9k s SER 8 CO 0.54 -0.21 1.89 0.21 0.41 0.00 0.00 173.24 176.08 1p9k s ASN 9 N 1.81 5.33 -1.19 2.44 3.84 -1.26 -4.87 114.94 121.04 1p9k s ASN 9 Ca 0.00 -1.34 -0.11 0.00 0.21 0.00 0.00 52.86 51.63 1p9k s ASN 9 Cb -0.12 -2.58 0.21 0.00 -0.55 0.00 0.00 41.25 38.21 1p9k s ASN 9 CO -0.03 -2.68 1.44 0.23 -2.79 0.00 0.00 177.10 173.27 1p9k n MET 10 N 8.55 3.58 -2.72 0.43 2.81 -1.26 -5.00 117.12 123.51 1p9k n MET 10 Ca 0.43 -4.02 -0.42 0.00 -1.81 0.00 0.00 57.70 51.87 1p9k n MET 10 Cb 0.47 -2.84 -0.03 0.00 -0.71 0.00 0.00 33.22 30.11 1p9k n MET 10 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p9k s ALA 11 N 0.16 3.19 -0.03 3.04 0.00 -1.26 -5.04 121.76 121.81 1p9k s ALA 11 Ca 0.38 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1p9k s ALA 11 Cb -0.02 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1p9k s ALA 11 CO -0.01 -0.26 -0.06 0.95 0.00 0.00 0.00 175.76 176.38 1p9k s THR 12 N 1.08 0.63 -0.59 0.00 -4.23 -1.26 -2.52 115.64 108.75 1p9k s THR 12 Ca 0.51 -0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1p9k s THR 12 Cb -0.21 -0.60 0.14 0.00 1.34 0.00 0.00 72.50 73.18 1p9k s THR 12 CO 0.27 0.22 0.56 0.12 -0.54 0.00 0.00 174.62 175.25 1p9k s PHE 13 N 0.53 3.33 -0.73 3.99 2.19 0.13 -4.96 117.98 122.46 1p9k s PHE 13 Ca -0.08 -1.40 -0.27 0.00 0.33 0.00 0.00 56.93 55.52 1p9k s PHE 13 Cb -0.11 -3.82 0.02 0.00 -1.31 0.00 0.00 43.02 37.80 1p9k s PHE 13 CO 0.00 -1.03 1.46 0.45 1.83 0.00 0.00 175.22 177.93 1p9k s SER 14 N 3.35 5.94 0.42 6.13 0.15 -1.26 -0.51 113.70 127.92 1p9k s SER 14 Ca 0.06 -0.34 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1p9k s SER 14 Cb -0.26 -2.55 1.00 0.00 -1.71 0.00 0.00 66.02 62.50 1p9k s SER 14 CO 0.01 -1.98 1.96 -0.07 1.20 0.00 0.00 173.24 174.36 1p9k h LEU 15 N 13.99 0.41 -1.03 3.45 3.38 -1.23 -3.46 115.31 130.82 1p9k h LEU 15 Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1p9k h LEU 15 Cb 1.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1p9k h LEU 15 CO 1.27 0.24 0.00 0.61 0.09 0.00 0.00 178.44 180.65 1p9k n GLY 16 N -1.51 0.84 3.40 0.83 0.00 -1.26 -3.97 105.19 103.52 1p9k n GLY 16 Ca 0.11 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1p9k n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p9k n LYS 17 N -0.51 -7.13 -3.05 1.61 5.02 -1.26 -5.00 118.16 107.84 1p9k n LYS 17 Ca 0.00 0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 56.86 1p9k n LYS 17 Cb 0.41 -5.66 0.01 0.00 -0.02 0.00 0.00 35.03 29.77 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1p9k s HIS 18 N -3.28 3.12 0.05 2.13 3.76 -1.25 -5.05 115.29 114.76 1p9k s HIS 18 Ca 0.52 0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 55.25 1p9k s HIS 18 Cb -0.23 -2.31 -0.12 0.00 1.11 0.00 0.00 32.58 31.03 1p9k s HIS 18 CO 0.64 -0.36 1.36 -1.00 -0.85 0.00 0.00 174.74 174.53 1p9k h PRO 19 N 0.48 -0.71 0.00 8.40 0.13 -1.94 -3.49 132.00 134.86 1p9k h PRO 19 Ca -0.45 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1p9k h PRO 19 Cb 1.26 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1p9k h PRO 19 CO 0.55 -0.48 0.00 -2.39 -0.23 0.00 0.00 178.00 175.45 1p9k n HIS 20 N -4.36 0.00 -3.95 1.56 1.44 -1.26 -4.82 115.22 103.83 1p9k n HIS 20 Ca -0.09 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.52 1p9k n HIS 20 Cb 0.32 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 1p9k n HIS 20 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1p9k s VAL 21 N -2.59 0.03 0.13 0.61 -7.23 -1.25 -5.02 120.40 105.08 1p9k s VAL 21 Ca 0.00 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1p9k s VAL 21 Cb 0.00 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1p9k s VAL 21 CO 0.00 -0.15 0.17 -1.83 -0.31 0.00 0.00 175.10 172.98 1p9k s GLU 22 N -3.98 3.08 0.31 4.82 -1.05 -1.26 -4.04 118.70 116.58 1p9k s GLU 22 Ca 0.19 -0.72 0.03 0.00 -0.15 0.00 0.00 54.97 54.32 1p9k s GLU 22 Cb 0.01 -2.78 0.79 0.00 -0.44 0.00 0.00 34.13 31.71 1p9k s GLU 22 CO 0.03 0.52 1.59 -0.07 0.95 0.00 0.00 175.26 178.29 1p9k h LEU 23 N 2.60 -0.30 -0.74 1.83 3.38 -1.78 0.45 115.31 120.76 1p9k h LEU 23 Ca -0.47 0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1p9k h LEU 23 Cb 1.19 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1p9k h LEU 23 CO 0.66 -0.32 0.06 0.00 0.09 0.00 0.00 178.44 178.93 1p9k h ASP 25 N 0.95 -0.80 -0.87 0.00 5.19 -0.49 0.14 116.42 120.54 1p9k h ASP 25 Ca 0.18 0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.75 1p9k h ASP 25 Cb 0.47 0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.10 1p9k h ASP 25 CO 0.02 -0.53 0.49 0.25 -3.12 0.00 0.00 179.24 176.35 1p9k h LEU 26 N -1.02 0.67 0.36 1.55 5.85 -1.44 0.14 115.31 121.41 1p9k h LEU 26 Ca -0.10 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1p9k h LEU 26 Cb 0.72 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1p9k h LEU 26 CO 0.16 0.33 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.35 1p9k h LEU 27 N 0.76 -0.41 -0.04 2.25 4.07 -1.38 -1.76 115.31 118.81 1p9k h LEU 27 Ca 0.45 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.46 1p9k h LEU 27 Cb 0.53 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.32 1p9k h LEU 27 CO -0.30 -0.20 -0.41 0.50 -1.08 0.00 0.00 178.44 176.95 1p9k h LYS 28 N -0.66 -0.52 -0.67 1.13 3.11 -0.62 0.22 116.57 118.56 1p9k h LYS 28 Ca -0.05 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.01 1p9k h LYS 28 Cb 0.37 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 1p9k h LYS 28 CO 0.08 -0.35 0.47 -0.07 -2.81 0.00 0.00 179.45 176.78 1p9k h LEU 29 N -0.54 0.09 0.00 5.20 3.38 -0.83 0.37 115.31 122.98 1p9k h LEU 29 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1p9k h LEU 29 Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1p9k h LEU 29 CO -0.33 0.04 -0.28 -0.62 0.09 0.00 0.00 178.44 177.35 1p9k n GLU 30 N -4.38 0.21 -0.22 1.13 -0.58 -0.02 -4.93 120.64 111.85 1p9k n GLU 30 Ca 0.13 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1p9k n GLU 30 Cb 0.68 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1p9k n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p9k n GLY 31 N 1.37 0.87 0.28 0.62 0.00 0.13 -5.01 105.19 103.44 1p9k n GLY 31 Ca 0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1p9k n GLY 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1p9k h TRP 32 N 0.00 -0.61 -3.30 1.61 4.06 -0.85 -3.44 115.95 113.42 1p9k h TRP 32 Ca 0.00 -0.01 -0.65 0.00 2.06 0.00 0.00 58.89 60.29 1p9k h TRP 32 Cb 0.00 0.20 -0.17 0.00 -1.00 0.00 0.00 29.16 28.19 1p9k h TRP 32 CO 0.00 -0.38 -0.62 0.45 -3.56 0.00 0.00 178.44 174.33 1p9k s SER 33 N -4.56 5.19 0.33 -3.49 0.15 -1.26 -4.98 113.70 105.08 1p9k s SER 33 Ca -0.10 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1p9k s SER 33 Cb 0.01 -1.70 0.57 0.00 -1.71 0.00 0.00 66.02 63.19 1p9k s SER 33 CO 0.29 0.26 1.87 -0.33 1.20 0.00 0.00 173.24 176.52 1p9k h GLU 34 N 6.07 0.57 0.00 5.44 5.08 -1.93 -3.35 114.58 126.46 1p9k h GLU 34 Ca -0.41 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 57.56 1p9k h GLU 34 Cb 1.19 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1p9k h GLU 34 CO 0.61 0.58 -1.86 -1.13 -1.00 0.00 0.00 179.01 176.22 1p9k n SER 35 N -4.28 1.40 0.00 1.42 3.41 -1.26 -5.06 113.62 109.25 1p9k n SER 35 Ca 0.02 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1p9k n SER 35 Cb 0.24 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1p9k n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p9k n GLY 36 N 1.84 3.96 0.05 5.00 0.00 -1.26 -4.90 105.19 109.90 1p9k n GLY 36 Ca -0.33 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1p9k n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k n ALA 37 N 0.00 1.30 0.15 4.61 0.00 -1.26 -3.39 120.51 121.93 1p9k n ALA 37 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 1p9k n ALA 37 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1p9k n ALA 37 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1p9k h GLN 38 N 0.00 -0.37 -0.38 0.00 5.75 -1.98 -3.00 115.11 115.13 1p9k h GLN 38 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1p9k h GLN 38 Cb 0.95 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1p9k h GLN 38 CO 0.00 -0.25 0.00 0.00 -2.65 0.00 0.00 178.83 175.93 1p9k n ALA 39 N -2.23 2.33 -1.91 3.38 0.00 -1.26 -4.80 120.51 116.02 1p9k n ALA 39 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1p9k n ALA 39 Cb 0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1p9k n ALA 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p9k n LYS 40 N -0.25 -1.15 0.26 0.00 4.76 -1.13 -4.87 118.16 115.77 1p9k n LYS 40 Ca 0.00 0.88 0.10 0.00 -2.87 0.00 0.00 58.31 56.42 1p9k n LYS 40 Cb 0.10 -5.14 0.68 0.00 -1.84 0.00 0.00 35.03 28.82 1p9k n LYS 40 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1p9k h ILE 41 N 0.00 0.79 0.00 -0.18 2.04 -1.82 -1.07 117.51 117.27 1p9k h ILE 41 Ca -0.34 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1p9k h ILE 41 Cb 1.15 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1p9k h ILE 41 CO 0.44 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1p9k n ALA 42 N -2.39 -0.05 -0.37 1.87 0.00 -1.22 0.14 120.51 118.51 1p9k n ALA 42 Ca -0.02 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.70 1p9k n ALA 42 Cb 0.20 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.22 1p9k n ALA 42 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p9k h ILE 43 N 0.00 0.37 0.61 0.00 1.08 -1.74 0.07 117.51 117.90 1p9k h ILE 43 Ca 0.00 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1p9k h ILE 43 Cb 0.00 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 33.85 1p9k h ILE 43 CO 0.00 0.05 -0.29 0.00 -0.69 0.00 0.00 178.15 177.21 1p9k h ALA 44 N 1.60 -1.03 -0.62 1.87 0.00 -1.25 -2.70 119.26 117.13 1p9k h ALA 44 Ca 0.67 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.64 1p9k h ALA 44 Cb 1.93 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.93 1p9k h ALA 44 CO -0.32 -0.97 0.24 -1.91 0.00 0.00 0.00 179.25 176.29 1p9k n GLU 45 N -4.59 -0.04 0.00 0.00 4.07 0.12 -0.64 120.64 119.55 1p9k n GLU 45 Ca -0.10 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 1p9k n GLU 45 Cb 0.32 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1p9k n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p9k n GLY 46 N -1.20 -1.62 0.32 8.31 0.00 -1.06 -3.30 105.19 106.64 1p9k n GLY 46 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1p9k n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1p9k h GLN 47 N 0.00 0.00 0.00 1.61 -0.00 -0.39 -2.99 115.11 113.34 1p9k h GLN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1p9k h GLN 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1p9k h GLN 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 178.83 179.11 1p9k n VAL 48 N -2.54 0.00 -3.64 1.86 0.31 -0.32 -4.88 118.33 109.12 1p9k n VAL 48 Ca -0.01 0.16 -0.04 0.00 -0.01 0.00 0.00 64.34 64.44 1p9k n VAL 48 Cb 0.81 -0.36 -0.07 0.00 -0.91 0.00 0.00 33.84 33.31 1p9k n VAL 48 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1p9k s LYS 49 N -0.10 0.36 0.02 5.55 -0.14 -0.89 -4.96 119.74 119.57 1p9k s LYS 49 Ca 0.00 0.56 0.02 0.00 -1.36 0.00 0.00 55.97 55.19 1p9k s LYS 49 Cb 0.00 0.11 -0.01 0.00 -1.68 0.00 0.00 37.83 36.24 1p9k s LYS 49 CO 0.00 -0.06 -0.08 0.08 -0.76 0.00 0.00 175.35 174.53 1p9k s VAL 50 N 0.95 0.61 -0.89 3.17 1.01 0.29 -0.46 120.40 125.08 1p9k s VAL 50 Ca -0.05 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1p9k s VAL 50 Cb -0.04 -0.57 -0.24 0.00 0.00 0.00 0.00 36.38 35.53 1p9k s VAL 50 CO -0.12 -0.05 2.31 -0.67 0.00 0.00 0.00 175.10 176.56 1p9k n ASP 51 N 2.28 0.11 0.00 3.32 -0.08 0.72 0.12 116.55 123.03 1p9k n ASP 51 Ca -0.17 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.25 1p9k n ASP 51 Cb 0.56 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p9k n GLY 52 N 6.10 0.80 3.03 0.27 0.00 -1.26 -4.89 105.19 109.24 1p9k n GLY 52 Ca 0.58 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 1p9k n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k s ALA 53 N -2.36 1.22 -0.19 4.61 0.00 0.32 -5.01 121.76 120.36 1p9k s ALA 53 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 51.96 51.67 1p9k s ALA 53 Cb 0.00 -0.52 0.43 0.00 0.00 0.00 0.00 23.12 23.03 1p9k s ALA 53 CO 0.00 0.13 1.20 1.55 0.00 0.00 0.00 175.76 178.64 1p9k n VAL 54 N 3.68 1.81 -3.99 0.00 3.14 -1.26 0.10 118.33 121.81 1p9k n VAL 54 Ca -0.22 -3.01 -0.26 0.00 -2.96 0.00 0.00 64.34 57.89 1p9k n VAL 54 Cb 0.52 -0.09 -0.04 0.00 -1.06 0.00 0.00 33.84 33.17 1p9k n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1p9k s GLU 55 N -2.76 3.25 -0.51 1.45 2.02 -1.26 -4.75 118.70 116.15 1p9k s GLU 55 Ca 0.39 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 1p9k s GLU 55 Cb 0.38 -2.86 0.18 0.00 0.10 0.00 0.00 34.13 31.93 1p9k s GLU 55 CO -0.07 0.51 2.42 -2.37 0.02 0.00 0.00 175.26 175.78 1p9k n THR 56 N -0.43 3.28 -1.80 3.63 5.66 -1.26 -2.21 114.28 121.15 1p9k n THR 56 Ca -0.07 -2.91 -0.29 0.00 -3.05 0.00 0.00 64.05 57.73 1p9k n THR 56 Cb 0.54 -1.44 0.10 0.00 -1.55 0.00 0.00 70.33 67.98 1p9k n THR 56 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p9k s ARG 57 N -2.33 1.75 -0.01 1.09 1.81 -1.26 -4.67 118.95 115.33 1p9k s ARG 57 Ca 0.52 0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.76 1p9k s ARG 57 Cb 0.38 -1.92 -0.24 0.00 -0.45 0.00 0.00 34.95 32.71 1p9k s ARG 57 CO -0.19 -1.75 0.79 1.57 -0.68 0.00 0.00 175.30 175.04 1p9k h LYS 58 N -1.17 0.08 -5.62 3.54 2.10 -1.91 -3.39 116.57 110.20 1p9k h LYS 58 Ca -0.47 -0.14 -0.46 0.00 -2.00 0.00 0.00 60.65 57.58 1p9k h LYS 58 Cb 1.33 0.05 -0.20 0.00 -0.90 0.00 0.00 32.23 32.51 1p9k h LYS 58 CO 0.65 0.79 -0.78 1.03 -2.00 0.00 0.00 179.45 179.14 1p9k s ARG 59 N -2.62 1.00 -0.09 0.07 0.52 -1.26 -3.76 118.95 112.81 1p9k s ARG 59 Ca -0.06 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1p9k s ARG 59 Cb 0.08 -1.03 0.04 0.00 0.52 0.00 0.00 34.95 34.55 1p9k s ARG 59 CO 0.82 0.22 0.03 0.00 0.02 0.00 0.00 175.30 176.40 1p9k s LYS 61 N 2.02 2.81 0.01 0.00 3.01 -1.26 -4.24 119.74 122.09 1p9k s LYS 61 Ca 0.04 0.25 0.03 0.00 -1.01 0.00 0.00 55.97 55.28 1p9k s LYS 61 Cb -0.13 -4.41 -0.01 0.00 -1.01 0.00 0.00 37.83 32.27 1p9k s LYS 61 CO -0.06 -2.60 -0.09 0.42 0.51 0.00 0.00 175.35 173.54 1p9k s ILE 62 N 8.07 0.72 0.24 2.17 1.01 -1.26 -5.03 121.20 127.13 1p9k s ILE 62 Ca 0.58 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1p9k s ILE 62 Cb -0.10 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1p9k s ILE 62 CO 0.17 0.06 0.36 0.68 0.00 0.00 0.00 174.94 176.21 1p9k s VAL 63 N -0.50 0.00 0.00 2.92 -7.23 -1.26 -3.84 120.40 110.48 1p9k s VAL 63 Ca 0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1p9k s VAL 63 Cb -0.05 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1p9k s VAL 63 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 1p9k n ALA 64 N -0.36 0.00 -2.85 1.32 0.00 -1.26 -4.34 120.51 113.02 1p9k n ALA 64 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1p9k n ALA 64 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1p9k n ALA 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1p9k s GLY 65 N -1.19 2.08 0.27 0.00 0.00 -1.21 -2.86 107.32 104.43 1p9k s GLY 65 Ca 0.00 -3.08 0.11 0.00 0.00 0.00 0.00 44.72 41.75 1p9k s GLY 65 CO 0.00 2.21 -0.17 1.20 0.00 0.00 0.00 173.10 176.34 1p9k s GLN 66 N 2.54 1.63 0.10 2.90 -1.52 0.12 -4.91 119.66 120.52 1p9k s GLN 66 Ca 0.43 -1.76 0.09 0.00 -1.95 0.00 0.00 55.36 52.16 1p9k s GLN 66 Cb -0.02 -1.61 -0.04 0.00 -0.22 0.00 0.00 33.01 31.12 1p9k s GLN 66 CO -0.01 0.26 -0.18 0.99 -0.25 0.00 0.00 175.29 176.10 1p9k s THR 67 N -2.63 2.84 0.01 -0.19 2.01 -1.26 0.14 115.64 116.55 1p9k s THR 67 Ca 0.29 -1.44 0.06 0.00 0.31 0.00 0.00 61.69 60.91 1p9k s THR 67 Cb -0.03 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1p9k s THR 67 CO 0.14 0.14 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.33 1p9k s VAL 68 N -1.10 1.49 -0.02 3.82 1.01 0.14 -0.20 120.40 125.54 1p9k s VAL 68 Ca 0.17 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1p9k s VAL 68 Cb -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1p9k s VAL 68 CO 0.09 0.29 -0.01 -0.44 0.00 0.00 0.00 175.10 175.03 1p9k s SER 69 N -0.79 0.33 -0.09 3.32 0.01 0.39 -1.54 113.70 115.34 1p9k s SER 69 Ca 0.07 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1p9k s SER 69 Cb -0.08 -0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.06 1p9k s SER 69 CO 0.00 -0.06 0.18 0.12 0.41 0.00 0.00 173.24 173.89 1p9k s PHE 70 N 0.63 -0.22 0.00 2.43 5.36 -0.37 -2.10 117.98 123.71 1p9k s PHE 70 Ca -0.06 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1p9k s PHE 70 Cb -0.09 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.41 1p9k s PHE 70 CO -0.01 -0.26 0.00 0.00 -1.46 0.00 0.00 175.22 173.49 1p9k n ALA 71 N 5.04 0.00 -0.19 11.12 0.00 -1.26 0.12 120.51 135.34 1p9k n ALA 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1p9k n ALA 71 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1p9k n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9k n GLY 72 N 0.00 0.19 3.51 0.00 0.00 -1.26 -5.00 105.19 102.63 1p9k n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p9k n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p9k s HIS 73 N -0.31 3.09 -0.13 1.61 3.76 0.31 -5.04 115.29 118.58 1p9k s HIS 73 Ca 0.00 -0.11 0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1p9k s HIS 73 Cb 0.00 -3.26 0.01 0.00 1.11 0.00 0.00 32.58 30.44 1p9k s HIS 73 CO 0.00 -0.83 -0.21 -1.12 -0.85 0.00 0.00 174.74 171.72 1p9k s SER 74 N 1.96 3.02 0.10 1.40 0.01 -1.26 -1.24 113.70 117.69 1p9k s SER 74 Ca 0.21 -0.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.80 1p9k s SER 74 Cb -0.15 -1.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 1p9k s SER 74 CO 0.18 0.07 0.21 -0.69 0.41 0.00 0.00 173.24 173.42 1p9k s VAL 75 N 0.83 0.13 0.32 3.43 1.01 -0.59 -4.86 120.40 120.68 1p9k s VAL 75 Ca -0.07 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.81 1p9k s VAL 75 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1p9k s VAL 75 CO -0.02 -0.60 0.10 -1.10 0.00 0.00 0.00 175.10 173.48 1p9k s GLN 76 N -3.87 2.32 0.02 2.72 -0.21 -1.05 0.25 119.66 119.85 1p9k s GLN 76 Ca 0.06 -1.54 0.01 0.00 0.02 0.00 0.00 55.36 53.91 1p9k s GLN 76 Cb 0.05 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 1p9k s GLN 76 CO -0.10 0.17 -0.06 0.08 -2.12 0.00 0.00 175.29 173.26 1p9k s VAL 77 N -2.42 0.38 0.37 1.09 1.01 0.37 0.17 120.40 121.37 1p9k s VAL 77 Ca 0.36 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1p9k s VAL 77 Cb -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1p9k s VAL 77 CO 0.22 -0.27 0.18 0.68 0.00 0.00 0.00 175.10 175.91 1p9k s VAL 78 N -1.02 0.35 0.00 2.92 -7.23 0.33 -0.71 120.40 115.04 1p9k s VAL 78 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1p9k s VAL 78 Cb -0.08 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1p9k s VAL 78 CO -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79