#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 4.21 0.09 1.61 0.01 -1.26 -5.16 113.70 113.21 1p9k s SER 2 Ca 0.00 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.22 1p9k s SER 2 Cb 0.00 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1p9k s SER 2 CO 0.00 -0.34 0.11 0.23 0.41 0.00 0.00 173.24 173.65 1p9k n MET 3 N -1.03 1.11 -1.02 12.44 0.00 -1.26 -5.07 117.12 122.28 1p9k n MET 3 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 57.70 57.16 1p9k n MET 3 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.88 1p9k n MET 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1p9k n ILE 4 N -1.01 0.17 0.00 2.02 -6.64 -1.26 -4.97 119.36 107.67 1p9k n ILE 4 Ca 0.01 -0.76 0.00 0.00 -1.77 0.00 0.00 62.75 60.23 1p9k n ILE 4 Cb 0.10 0.71 0.00 0.00 -1.44 0.00 0.00 39.64 39.01 1p9k n ILE 4 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1p9k n HIS 5 N 0.17 0.00 -1.57 4.28 8.25 -1.26 -5.00 115.22 120.09 1p9k n HIS 5 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 1p9k n HIS 5 Cb 0.94 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.13 1p9k n HIS 5 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1p9k s ARG 6 N 0.00 2.19 -0.24 -0.41 3.00 -1.26 -4.66 118.95 117.57 1p9k s ARG 6 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 55.73 56.38 1p9k s ARG 6 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 34.95 33.02 1p9k s ARG 6 CO 0.00 -1.55 0.05 -0.12 0.00 0.00 0.00 175.30 173.67 1p9k n MET 7 N -3.39 -2.48 -1.93 3.54 1.56 -1.26 -4.94 117.12 108.21 1p9k n MET 7 Ca 0.07 2.13 -0.38 0.00 -0.27 0.00 0.00 57.70 59.25 1p9k n MET 7 Cb 0.56 -4.26 0.02 0.00 2.15 0.00 0.00 33.22 31.70 1p9k n MET 7 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1p9k s SER 8 N -1.30 5.61 0.05 6.12 0.01 -1.26 -4.99 113.70 117.93 1p9k s SER 8 Ca 0.02 2.64 -0.19 0.00 1.31 0.00 0.00 55.95 59.73 1p9k s SER 8 Cb -0.01 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1p9k s SER 8 CO 0.57 -1.33 0.54 0.20 0.41 0.00 0.00 173.24 173.64 1p9k s ASN 9 N -1.03 7.00 0.75 2.44 0.01 -1.26 -5.08 114.94 117.76 1p9k s ASN 9 Ca 0.68 1.19 -0.03 0.00 -0.71 0.00 0.00 52.86 53.99 1p9k s ASN 9 Cb -0.37 -2.34 0.13 0.00 0.41 0.00 0.00 41.25 39.08 1p9k s ASN 9 CO 0.45 0.26 1.03 -0.04 -1.51 0.00 0.00 177.10 177.29 1p9k s MET 10 N -0.98 1.61 -0.01 -0.60 -1.94 -1.26 -5.09 119.30 111.03 1p9k s MET 10 Ca 0.28 -0.94 -0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1p9k s MET 10 Cb -0.19 -2.26 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1p9k s MET 10 CO 0.18 -1.53 0.28 0.00 -0.01 0.00 0.00 175.02 173.93 1p9k s ALA 11 N -3.23 3.82 -0.07 3.03 0.00 -1.26 -5.05 121.76 118.98 1p9k s ALA 11 Ca 0.67 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1p9k s ALA 11 Cb -0.06 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.95 1p9k s ALA 11 CO 0.45 0.61 -0.17 0.95 0.00 0.00 0.00 175.76 177.60 1p9k s THR 12 N -1.22 1.47 -0.56 0.00 -4.23 -1.26 -2.18 115.64 107.67 1p9k s THR 12 Ca 0.25 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 1p9k s THR 12 Cb -0.14 -1.30 0.14 0.00 1.34 0.00 0.00 72.50 72.54 1p9k s THR 12 CO 0.13 0.43 0.43 0.12 -0.54 0.00 0.00 174.62 175.19 1p9k s PHE 13 N 0.49 3.47 -0.35 3.99 5.36 0.86 -4.97 117.98 126.83 1p9k s PHE 13 Ca -0.15 -2.05 -0.29 0.00 -0.96 0.00 0.00 56.93 53.49 1p9k s PHE 13 Cb -0.16 -3.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.01 1p9k s PHE 13 CO 0.05 -0.97 1.62 0.45 -1.46 0.00 0.00 175.22 174.92 1p9k s SER 14 N 2.23 6.13 0.05 6.13 0.15 -1.26 -1.70 113.70 125.42 1p9k s SER 14 Ca 0.10 1.16 0.05 0.00 0.70 0.00 0.00 55.95 57.96 1p9k s SER 14 Cb -0.23 -2.53 -0.23 0.00 -1.71 0.00 0.00 66.02 61.32 1p9k s SER 14 CO -0.02 -1.54 1.04 -0.07 1.20 0.00 0.00 173.24 173.84 1p9k h LEU 15 N 12.85 0.11 0.00 3.45 3.38 -1.35 -3.48 115.31 130.28 1p9k h LEU 15 Ca -0.31 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1p9k h LEU 15 Cb 1.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1p9k h LEU 15 CO 1.05 1.12 0.00 0.61 0.09 0.00 0.00 178.44 181.31 1p9k n GLY 16 N 1.48 0.95 2.68 0.83 0.00 -1.24 -4.63 105.19 105.25 1p9k n GLY 16 Ca -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 1p9k n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1p9k n LYS 17 N 0.00 0.22 -4.45 1.61 -0.00 -1.26 -4.55 118.16 109.73 1p9k n LYS 17 Ca 0.00 -0.89 -0.28 0.00 -0.00 0.00 0.00 58.31 57.15 1p9k n LYS 17 Cb 0.00 -0.37 -0.09 0.00 -0.00 0.00 0.00 35.03 34.57 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1p9k s HIS 18 N 0.35 2.36 0.15 5.58 3.76 -1.26 -5.06 115.29 121.17 1p9k s HIS 18 Ca 0.27 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 54.35 1p9k s HIS 18 Cb 0.19 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 32.08 1p9k s HIS 18 CO -0.11 0.26 1.58 -1.00 -0.85 0.00 0.00 174.74 174.62 1p9k h PRO 19 N 1.51 0.89 0.00 8.40 0.13 -2.00 -3.47 132.00 137.46 1p9k h PRO 19 Ca -0.43 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1p9k h PRO 19 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p9k h PRO 19 CO 0.75 0.96 0.00 -2.39 -0.23 0.00 0.00 178.00 177.09 1p9k n HIS 20 N -4.27 0.00 -4.02 1.56 1.44 -1.26 -4.64 115.22 104.02 1p9k n HIS 20 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.62 1p9k n HIS 20 Cb 0.36 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.41 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 -2.18 0.01 0.05 0.61 -7.23 -1.23 -4.96 120.40 105.47 1p9k s VAL 21 Ca 0.00 -1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1p9k s VAL 21 Cb 0.00 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1p9k s VAL 21 CO 0.00 -0.04 0.28 -1.83 -0.31 0.00 0.00 175.10 173.20 1p9k s GLU 22 N -4.03 3.56 0.47 4.82 -1.05 -1.26 -3.67 118.70 117.54 1p9k s GLU 22 Ca 0.24 -0.16 0.35 0.00 -0.15 0.00 0.00 54.97 55.25 1p9k s GLU 22 Cb 0.01 -3.02 1.49 0.00 -0.44 0.00 0.00 34.13 32.18 1p9k s GLU 22 CO 0.08 0.60 1.64 1.37 0.95 0.00 0.00 175.26 179.90 1p9k h LEU 23 N 3.53 0.17 -0.41 1.83 8.10 -1.85 0.86 115.31 127.54 1p9k h LEU 23 Ca -0.48 0.09 -0.06 0.00 0.11 0.00 0.00 57.88 57.54 1p9k h LEU 23 Cb 1.18 0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.46 1p9k h LEU 23 CO 0.70 -0.11 0.03 0.00 -4.11 0.00 0.00 178.44 174.95 1p9k h ASP 25 N 0.55 -1.04 -0.60 0.00 5.19 0.35 0.39 116.42 121.26 1p9k h ASP 25 Ca 0.12 0.04 0.12 0.00 -0.62 0.00 0.00 57.03 56.69 1p9k h ASP 25 Cb 0.43 0.27 -0.10 0.00 0.18 0.00 0.00 39.33 40.11 1p9k h ASP 25 CO 0.01 -0.70 0.03 0.25 -3.12 0.00 0.00 179.24 175.71 1p9k h LEU 26 N -1.32 -0.21 0.52 1.55 5.85 -1.43 0.31 115.31 120.57 1p9k h LEU 26 Ca -0.13 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1p9k h LEU 26 Cb 0.94 0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.22 1p9k h LEU 26 CO 0.21 -0.09 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.90 1p9k h LEU 27 N 0.14 -0.59 -0.24 2.25 4.07 -1.08 -1.72 115.31 118.15 1p9k h LEU 27 Ca 0.32 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.36 1p9k h LEU 27 Cb 0.50 0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.32 1p9k h LEU 27 CO -0.49 -0.27 -0.30 0.50 -1.08 0.00 0.00 178.44 176.79 1p9k h LYS 28 N -1.00 -0.31 -0.64 1.13 3.64 -0.07 0.16 116.57 119.49 1p9k h LYS 28 Ca -0.07 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1p9k h LYS 28 Cb 0.53 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1p9k h LYS 28 CO 0.12 -0.20 0.43 -0.07 -2.27 0.00 0.00 179.45 177.45 1p9k h LEU 29 N -0.32 0.48 -0.09 5.20 3.38 -0.49 0.10 115.31 123.57 1p9k h LEU 29 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1p9k h LEU 29 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1p9k h LEU 29 CO -0.42 0.30 0.00 -0.33 0.09 0.00 0.00 178.44 178.08 1p9k h GLU 30 N 0.54 0.00 0.00 1.13 4.39 -0.06 -3.47 114.58 117.11 1p9k h GLU 30 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1p9k h GLU 30 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1p9k h GLU 30 CO -0.09 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.17 1p9k n GLY 31 N 1.14 1.03 0.00 -3.84 0.00 0.35 -5.03 105.19 98.84 1p9k n GLY 31 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1p9k n GLY 31 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p9k n TRP 32 N -2.11 0.00 -3.59 1.61 7.02 0.15 -4.81 117.44 115.71 1p9k n TRP 32 Ca 0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.10 1p9k n TRP 32 Cb 0.03 -0.48 -0.06 0.00 -2.42 0.00 0.00 31.31 28.38 1p9k n TRP 32 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1p9k s SER 33 N -2.58 6.68 0.15 -0.99 0.15 -1.26 -4.99 113.70 110.86 1p9k s SER 33 Ca 0.00 0.81 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 1p9k s SER 33 Cb 0.00 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1p9k s SER 33 CO 0.00 0.32 1.36 -0.33 1.20 0.00 0.00 173.24 175.78 1p9k h GLU 34 N 4.99 0.30 0.00 5.44 4.39 -1.94 -3.35 114.58 124.41 1p9k h GLU 34 Ca -0.51 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 58.63 1p9k h GLU 34 Cb 1.22 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.91 1p9k h GLU 34 CO 0.62 1.01 -1.99 -1.13 -1.16 0.00 0.00 179.01 176.37 1p9k n SER 35 N -3.71 1.33 0.00 1.42 3.41 -1.26 -5.03 113.62 109.77 1p9k n SER 35 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1p9k n SER 35 Cb 0.81 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 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 2.02 2.83 0.00 5.00 0.00 -1.26 -4.72 105.19 109.06 1p9k n GLY 36 Ca -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.84 -0.26 4.61 0.00 -1.26 -3.77 120.51 120.67 1p9k n ALA 37 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1p9k n ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1p9k n ALA 37 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1p9k n GLN 38 N -0.05 0.00 0.00 0.00 -0.06 -1.26 -2.77 117.38 113.24 1p9k n GLN 38 Ca 0.00 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 1p9k n GLN 38 Cb 0.34 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.15 1p9k n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1p9k n ALA 39 N -1.68 2.23 -1.85 1.69 0.00 -1.26 -4.78 120.51 114.86 1p9k n ALA 39 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1p9k n ALA 39 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.17 -1.21 0.27 0.00 5.02 -1.11 -4.84 118.16 116.12 1p9k n LYS 40 Ca 0.00 0.95 0.18 0.00 -2.02 0.00 0.00 58.31 57.41 1p9k n LYS 40 Cb 0.11 -5.23 0.94 0.00 -0.02 0.00 0.00 35.03 30.83 1p9k n LYS 40 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1p9k h ILE 41 N 0.00 0.00 0.00 -0.18 2.04 -1.82 -1.99 117.51 115.56 1p9k h ILE 41 Ca -0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1p9k h ILE 41 Cb 1.16 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1p9k h ILE 41 CO 0.47 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.62 1p9k n ALA 42 N -1.94 -0.02 -0.29 1.87 0.00 -1.25 -1.73 120.51 117.15 1p9k n ALA 42 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1p9k n ALA 42 Cb 0.07 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.77 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 0.30 0.71 0.00 1.08 -1.82 -0.64 117.51 117.14 1p9k h ILE 43 Ca 0.00 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1p9k h ILE 43 Cb 0.00 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1p9k h ILE 43 CO 0.00 0.03 -0.45 0.00 -0.69 0.00 0.00 178.15 177.04 1p9k h ALA 44 N 1.78 -1.24 -1.14 1.87 0.00 -1.53 -2.15 119.26 116.85 1p9k h ALA 44 Ca 0.51 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.59 1p9k h ALA 44 Cb 1.00 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1p9k h ALA 44 CO -0.68 -1.20 0.74 -1.91 0.00 0.00 0.00 179.25 176.20 1p9k n GLU 45 N -5.24 -0.03 0.00 0.00 4.07 -0.28 -1.25 120.64 117.92 1p9k n GLU 45 Ca -0.13 1.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1p9k n GLU 45 Cb 0.45 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 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 -1.44 -0.98 0.29 8.31 0.00 -0.84 -3.70 105.19 106.83 1p9k n GLY 46 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1p9k n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p9k n GLN 47 N -1.60 0.03 0.00 1.61 -0.00 -0.38 -2.86 117.38 114.18 1p9k n GLN 47 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 1p9k n GLN 47 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 30.24 27.74 1p9k n GLN 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1p9k n VAL 48 N -2.34 0.00 -3.65 -0.39 0.31 -0.88 -4.85 118.33 106.53 1p9k n VAL 48 Ca 0.00 0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1p9k n VAL 48 Cb 0.94 -0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.12 0.11 5.55 -0.14 -0.92 -4.95 119.74 119.42 1p9k s LYS 49 Ca 0.00 0.21 0.08 0.00 -1.36 0.00 0.00 55.97 54.90 1p9k s LYS 49 Cb 0.00 0.03 -0.04 0.00 -1.68 0.00 0.00 37.83 36.14 1p9k s LYS 49 CO 0.00 -0.03 -0.21 0.08 -0.76 0.00 0.00 175.35 174.44 1p9k s VAL 50 N 1.05 1.73 -0.48 3.17 1.01 0.12 -0.32 120.40 126.69 1p9k s VAL 50 Ca -0.08 -1.61 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 1p9k s VAL 50 Cb -0.03 -1.61 -0.25 0.00 0.00 0.00 0.00 36.38 34.50 1p9k s VAL 50 CO -0.11 -0.10 1.80 0.47 0.00 0.00 0.00 175.10 177.16 1p9k n ASP 51 N 0.96 1.89 0.00 3.32 9.92 0.11 -1.61 116.55 131.14 1p9k n ASP 51 Ca -0.18 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1p9k n ASP 51 Cb 0.54 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p9k n GLY 52 N 4.81 1.17 3.03 0.44 0.00 -1.26 -4.68 105.19 108.70 1p9k n GLY 52 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.41 1.03 -0.16 4.61 0.00 -0.63 -5.02 121.76 121.18 1p9k s ALA 53 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 51.96 51.70 1p9k s ALA 53 Cb 0.00 -0.38 0.42 0.00 0.00 0.00 0.00 23.12 23.16 1p9k s ALA 53 CO 0.00 0.16 1.21 1.55 0.00 0.00 0.00 175.76 178.68 1p9k n VAL 54 N 3.33 1.72 -4.33 0.00 3.14 -1.26 0.12 118.33 121.05 1p9k n VAL 54 Ca -0.19 -2.75 -0.24 0.00 -2.96 0.00 0.00 64.34 58.20 1p9k n VAL 54 Cb 0.54 0.03 -0.09 0.00 -1.06 0.00 0.00 33.84 33.26 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 -2.52 2.08 -1.00 1.45 2.02 -1.26 -4.85 118.70 114.61 1p9k s GLU 55 Ca 0.37 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1p9k s GLU 55 Cb 0.37 -2.07 0.32 0.00 0.10 0.00 0.00 34.13 32.85 1p9k s GLU 55 CO -0.09 0.38 1.89 -2.37 0.02 0.00 0.00 175.26 175.09 1p9k n THR 56 N -0.51 5.66 -2.41 3.63 5.66 -1.26 -3.13 114.28 121.91 1p9k n THR 56 Ca -0.08 -5.63 -0.24 0.00 -3.05 0.00 0.00 64.05 55.05 1p9k n THR 56 Cb 0.58 -1.51 0.07 0.00 -1.55 0.00 0.00 70.33 67.92 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 -4.18 2.14 -0.07 1.09 0.52 -1.26 -4.71 118.95 112.49 1p9k s ARG 57 Ca 0.42 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.76 1p9k s ARG 57 Cb 0.23 -2.30 -0.24 0.00 0.52 0.00 0.00 34.95 33.17 1p9k s ARG 57 CO -0.18 -1.15 0.99 0.87 0.02 0.00 0.00 175.30 175.85 1p9k h LYS 58 N -0.40 0.12 -6.28 3.54 6.56 -1.94 -3.43 116.57 114.74 1p9k h LYS 58 Ca -0.42 -0.14 -0.59 0.00 -1.06 0.00 0.00 60.65 58.44 1p9k h LYS 58 Cb 1.30 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 32.81 1p9k h LYS 58 CO 0.53 0.90 -0.80 -0.98 -2.06 0.00 0.00 179.45 177.04 1p9k s ARG 59 N -3.03 1.41 -0.07 3.15 1.70 -1.26 -3.97 118.95 116.88 1p9k s ARG 59 Ca -0.16 -1.47 -0.02 0.00 -0.47 0.00 0.00 55.73 53.60 1p9k s ARG 59 Cb 0.00 -1.60 0.03 0.00 -0.57 0.00 0.00 34.95 32.81 1p9k s ARG 59 CO 0.73 0.34 0.02 0.00 -1.08 0.00 0.00 175.30 175.31 1p9k s LYS 61 N 2.03 2.40 -0.01 0.00 1.02 -1.26 -4.18 119.74 119.75 1p9k s LYS 61 Ca 0.05 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1p9k s LYS 61 Cb -0.13 -5.09 -0.01 0.00 -0.52 0.00 0.00 37.83 32.09 1p9k s LYS 61 CO -0.05 -3.72 -0.07 0.42 -0.92 0.00 0.00 175.35 171.01 1p9k s ILE 62 N 11.02 0.56 0.33 2.17 1.01 -1.26 -4.99 121.20 130.04 1p9k s ILE 62 Ca 0.72 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.98 1p9k s ILE 62 Cb -0.05 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.96 1p9k s ILE 62 CO 0.05 0.16 0.57 0.68 0.00 0.00 0.00 174.94 176.39 1p9k s VAL 63 N -0.16 0.00 0.00 2.92 -7.23 -1.26 -3.52 120.40 111.14 1p9k s VAL 63 Ca 0.03 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1p9k s VAL 63 Cb -0.03 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.33 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 -0.51 0.00 -2.65 1.32 0.00 -1.26 -4.38 120.51 113.02 1p9k n ALA 64 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1p9k n ALA 64 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1p9k n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9k n GLY 65 N 0.00 3.18 3.40 0.00 0.00 -1.24 -3.39 105.19 107.15 1p9k n GLY 65 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1p9k n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p9k s GLN 66 N 2.83 1.47 0.19 1.61 -1.52 -0.36 -4.90 119.66 118.99 1p9k s GLN 66 Ca 0.48 -1.58 0.09 0.00 -1.95 0.00 0.00 55.36 52.40 1p9k s GLN 66 Cb 0.02 -1.58 -0.04 0.00 -0.22 0.00 0.00 33.01 31.19 1p9k s GLN 66 CO 0.03 0.31 -0.05 0.99 -0.25 0.00 0.00 175.29 176.32 1p9k s THR 67 N -2.21 3.37 -0.02 -0.19 2.01 -1.26 0.15 115.64 117.50 1p9k s THR 67 Ca 0.22 -1.65 0.06 0.00 0.31 0.00 0.00 61.69 60.64 1p9k s THR 67 Cb -0.05 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1p9k s THR 67 CO 0.10 -0.16 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.99 1p9k s VAL 68 N -1.83 1.50 -0.05 3.82 1.01 0.13 0.03 120.40 125.03 1p9k s VAL 68 Ca 0.27 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1p9k s VAL 68 Cb -0.08 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1p9k s VAL 68 CO 0.17 0.43 -0.05 -0.44 0.00 0.00 0.00 175.10 175.21 1p9k s SER 69 N -0.42 1.06 -0.11 3.32 0.01 0.57 -1.76 113.70 116.36 1p9k s SER 69 Ca 0.07 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.13 1p9k s SER 69 Cb -0.08 -0.48 0.05 0.00 0.21 0.00 0.00 66.02 65.73 1p9k s SER 69 CO -0.01 -0.06 0.26 0.12 0.41 0.00 0.00 173.24 173.96 1p9k s PHE 70 N 0.98 -0.37 0.00 2.43 5.36 -0.67 -2.16 117.98 123.55 1p9k s PHE 70 Ca -0.10 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 1p9k s PHE 70 Cb -0.14 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1p9k s PHE 70 CO -0.00 -0.28 0.00 0.00 -1.46 0.00 0.00 175.22 173.48 1p9k n ALA 71 N 4.62 0.00 -0.04 11.12 0.00 -1.26 0.89 120.51 135.84 1p9k n ALA 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1p9k n ALA 71 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.79 3.52 0.00 0.00 -1.26 -5.00 105.19 103.25 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 -0.57 2.99 -0.20 1.61 3.76 0.26 -5.02 115.29 118.12 1p9k s HIS 73 Ca 0.00 0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1p9k s HIS 73 Cb 0.00 -3.62 0.03 0.00 1.11 0.00 0.00 32.58 30.10 1p9k s HIS 73 CO 0.00 -1.01 -0.17 -1.12 -0.85 0.00 0.00 174.74 171.59 1p9k s SER 74 N 2.24 3.46 0.05 1.40 0.01 -1.26 -1.67 113.70 117.93 1p9k s SER 74 Ca 0.27 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 1p9k s SER 74 Cb -0.13 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1p9k s SER 74 CO 0.20 -0.06 -0.01 -0.69 0.41 0.00 0.00 173.24 173.09 1p9k s VAL 75 N 1.25 0.21 0.31 3.43 1.01 -0.72 -4.72 120.40 121.17 1p9k s VAL 75 Ca 0.01 -1.72 0.09 0.00 0.00 0.00 0.00 61.98 60.36 1p9k s VAL 75 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1p9k s VAL 75 CO -0.11 -0.95 0.07 -1.10 0.00 0.00 0.00 175.10 173.02 1p9k s GLN 76 N -3.79 2.31 0.05 2.72 -0.21 -0.92 0.22 119.66 120.03 1p9k s GLN 76 Ca 0.06 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 53.95 1p9k s GLN 76 Cb 0.07 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 1p9k s GLN 76 CO -0.10 0.21 -0.12 0.08 -2.12 0.00 0.00 175.29 173.24 1p9k s VAL 77 N -2.40 0.93 0.21 1.09 1.01 0.41 -0.10 120.40 121.55 1p9k s VAL 77 Ca 0.35 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1p9k s VAL 77 Cb -0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1p9k s VAL 77 CO 0.21 -0.16 -0.08 0.68 0.00 0.00 0.00 175.10 175.76 1p9k s VAL 78 N -1.07 1.36 0.00 2.92 -7.23 -0.69 -1.22 120.40 114.47 1p9k s VAL 78 Ca -0.02 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1p9k s VAL 78 Cb -0.09 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1p9k s VAL 78 CO 0.01 -0.51 0.00 0.00 -0.31 0.00 0.00 175.10 174.29