#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9k n SER 2 N 0.00 -5.53 -1.11 1.61 2.88 -1.26 -4.72 113.62 105.49 1p9k n SER 2 Ca 0.00 0.35 -0.04 0.00 -1.33 0.00 0.00 58.87 57.85 1p9k n SER 2 Cb 0.00 -4.28 -0.05 0.00 -0.75 0.00 0.00 64.21 59.14 1p9k n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1p9k n MET 3 N -1.49 0.00 -3.51 -1.46 0.00 -1.26 -5.08 117.12 104.32 1p9k n MET 3 Ca -0.14 -1.23 -0.18 0.00 0.00 0.00 0.00 57.70 56.16 1p9k n MET 3 Cb 0.60 0.36 -0.13 0.00 0.00 0.00 0.00 33.22 34.05 1p9k n MET 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1p9k s ILE 4 N 0.00 -0.33 -0.19 2.02 -5.25 -1.26 -5.13 121.20 111.06 1p9k s ILE 4 Ca 0.08 -0.07 -0.15 0.00 -0.99 0.00 0.00 60.65 59.52 1p9k s ILE 4 Cb 0.10 -0.65 -0.04 0.00 2.95 0.00 0.00 42.46 44.81 1p9k s ILE 4 CO -0.04 -0.17 0.36 -1.00 -1.79 0.00 0.00 174.94 172.29 1p9k s HIS 5 N 2.33 3.40 -0.29 1.37 3.76 -1.26 -4.79 115.29 119.80 1p9k s HIS 5 Ca 0.06 0.59 -0.28 0.00 -0.15 0.00 0.00 55.06 55.29 1p9k s HIS 5 Cb -0.15 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 1p9k s HIS 5 CO -0.12 0.07 2.13 1.03 -0.85 0.00 0.00 174.74 177.00 1p9k s ARG 6 N 1.04 3.03 0.18 1.40 0.52 -1.26 -4.90 118.95 118.96 1p9k s ARG 6 Ca 0.18 1.76 -0.23 0.00 -0.52 0.00 0.00 55.73 56.91 1p9k s ARG 6 Cb -0.14 -4.36 0.06 0.00 0.52 0.00 0.00 34.95 31.03 1p9k s ARG 6 CO 0.07 -2.22 0.74 0.00 0.02 0.00 0.00 175.30 173.91 1p9k s MET 7 N 6.45 1.38 -0.06 3.54 0.23 -1.26 -5.18 119.30 124.40 1p9k s MET 7 Ca 0.94 -0.66 -0.09 0.00 -1.03 0.00 0.00 55.69 54.85 1p9k s MET 7 Cb -0.28 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1p9k s MET 7 CO 0.33 -0.62 0.22 0.45 -2.03 0.00 0.00 175.02 173.37 1p9k s SER 8 N -2.80 -0.18 0.00 -1.18 0.15 -1.26 -5.04 113.70 103.39 1p9k s SER 8 Ca 0.07 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1p9k s SER 8 Cb -0.03 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1p9k s SER 8 CO -0.03 -0.18 0.00 0.59 1.20 0.00 0.00 173.24 174.82 1p9k n ASN 9 N 2.48 2.31 -4.75 5.45 4.13 -1.26 -5.07 115.26 118.55 1p9k n ASN 9 Ca -0.16 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.69 1p9k n ASN 9 Cb 0.58 0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 39.13 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1p9k s MET 10 N -1.20 4.34 -0.15 3.52 -1.94 -1.26 -5.01 119.30 117.59 1p9k s MET 10 Ca 0.00 2.18 -0.08 0.00 -1.71 0.00 0.00 55.69 56.09 1p9k s MET 10 Cb 0.00 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1p9k s MET 10 CO 0.00 -0.30 0.13 0.00 -0.01 0.00 0.00 175.02 174.83 1p9k s ALA 11 N -0.19 3.77 -0.02 3.03 0.00 -1.26 -5.07 121.76 122.01 1p9k s ALA 11 Ca 0.56 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1p9k s ALA 11 Cb -0.39 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1p9k s ALA 11 CO 0.43 0.44 -0.04 0.95 0.00 0.00 0.00 175.76 177.54 1p9k s THR 12 N -0.49 0.43 -0.74 0.00 -4.23 -1.26 -1.67 115.64 107.68 1p9k s THR 12 Ca 0.12 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1p9k s THR 12 Cb -0.12 -0.43 0.19 0.00 1.34 0.00 0.00 72.50 73.49 1p9k s THR 12 CO 0.02 0.17 0.62 0.12 -0.54 0.00 0.00 174.62 175.01 1p9k s PHE 13 N 0.48 3.60 -0.80 3.99 5.36 0.22 -4.91 117.98 125.92 1p9k s PHE 13 Ca -0.06 -2.32 -0.25 0.00 -0.96 0.00 0.00 56.93 53.34 1p9k s PHE 13 Cb -0.09 -3.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.04 1p9k s PHE 13 CO -0.00 -0.92 1.71 0.45 -1.46 0.00 0.00 175.22 175.00 1p9k s SER 14 N 1.48 5.60 0.40 6.13 0.15 -1.26 -1.28 113.70 124.92 1p9k s SER 14 Ca 0.18 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.51 1p9k s SER 14 Cb -0.15 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.52 1p9k s SER 14 CO -0.06 -2.25 1.93 -0.07 1.20 0.00 0.00 173.24 173.99 1p9k h LEU 15 N 15.65 0.52 -0.67 3.45 3.38 -1.18 -3.47 115.31 132.99 1p9k h LEU 15 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1p9k h LEU 15 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1p9k h LEU 15 CO 1.26 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1p9k n GLY 16 N -1.48 0.57 3.40 0.83 0.00 -1.17 -4.51 105.19 102.83 1p9k n GLY 16 Ca 0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1p9k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p9k n LYS 17 N -0.33 -4.21 -3.67 1.61 4.81 0.13 -5.02 118.16 111.47 1p9k n LYS 17 Ca 0.00 0.80 -0.21 0.00 -0.87 0.00 0.00 58.31 58.04 1p9k n LYS 17 Cb 0.18 -5.65 -0.03 0.00 0.02 0.00 0.00 35.03 29.55 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1p9k s HIS 18 N -3.42 2.85 0.08 5.64 3.76 -1.26 -5.05 115.29 117.90 1p9k s HIS 18 Ca 0.23 -0.36 -0.22 0.00 -0.15 0.00 0.00 55.06 54.56 1p9k s HIS 18 Cb -0.04 -1.95 -0.12 0.00 1.11 0.00 0.00 32.58 31.58 1p9k s HIS 18 CO 0.75 0.05 1.64 -1.00 -0.85 0.00 0.00 174.74 175.33 1p9k h PRO 19 N 1.13 0.15 0.00 8.40 0.13 -1.97 -3.48 132.00 136.35 1p9k h PRO 19 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p9k h PRO 19 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1p9k h PRO 19 CO 0.57 0.22 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 1p9k n HIS 20 N -4.94 0.00 -4.00 1.56 1.44 -1.26 -4.79 115.22 103.22 1p9k n HIS 20 Ca -0.05 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.58 1p9k n HIS 20 Cb 0.09 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.11 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 -2.63 0.18 0.06 0.61 -7.23 -1.24 -4.97 120.40 105.18 1p9k s VAL 21 Ca 0.00 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1p9k s VAL 21 Cb 0.00 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1p9k s VAL 21 CO 0.00 -0.82 0.19 -1.61 -0.31 0.00 0.00 175.10 172.55 1p9k s GLU 22 N -3.48 3.36 0.23 4.82 8.01 -1.26 -3.82 118.70 126.56 1p9k s GLU 22 Ca 0.03 -0.48 -0.16 0.00 0.01 0.00 0.00 54.97 54.37 1p9k s GLU 22 Cb 0.04 -2.99 0.26 0.00 -4.31 0.00 0.00 34.13 27.13 1p9k s GLU 22 CO -0.09 0.60 1.52 1.28 0.01 0.00 0.00 175.26 178.59 1p9k n LEU 23 N 0.32 -0.60 0.12 1.80 4.77 -1.26 0.15 117.00 122.30 1p9k n LEU 23 Ca -0.06 1.71 0.05 0.00 -0.03 0.00 0.00 56.01 57.68 1p9k n LEU 23 Cb 0.51 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.69 1p9k n LEU 23 CO 0.51 -1.55 1.07 0.00 -1.33 0.00 0.00 177.39 176.09 1p9k h ASP 25 N 0.29 -0.57 -0.49 0.00 5.19 0.10 -1.22 116.42 119.72 1p9k h ASP 25 Ca 0.07 -0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.54 1p9k h ASP 25 Cb 0.05 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 39.63 1p9k h ASP 25 CO -0.01 -0.16 0.04 0.25 -3.12 0.00 0.00 179.24 176.25 1p9k h LEU 26 N -1.12 -0.12 0.68 1.55 5.85 -0.80 0.23 115.31 121.58 1p9k h LEU 26 Ca -0.07 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1p9k h LEU 26 Cb 0.57 0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1p9k h LEU 26 CO 0.11 -0.03 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.78 1p9k h LEU 27 N 0.16 -0.77 0.46 2.25 3.38 -1.42 -2.42 115.31 116.95 1p9k h LEU 27 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1p9k h LEU 27 Cb 0.36 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1p9k h LEU 27 CO -0.38 -0.42 -0.38 0.50 0.09 0.00 0.00 178.44 177.85 1p9k h LYS 28 N -1.15 -0.81 -1.00 1.13 3.11 -1.08 0.33 116.57 117.10 1p9k h LYS 28 Ca -0.09 0.06 0.20 0.00 -2.81 0.00 0.00 60.65 58.00 1p9k h LYS 28 Cb 0.73 0.18 -0.10 0.00 -1.00 0.00 0.00 32.23 32.04 1p9k h LYS 28 CO 0.15 -0.54 0.61 -0.07 -2.81 0.00 0.00 179.45 176.80 1p9k h LEU 29 N -0.84 0.72 0.00 5.20 -0.00 -0.64 0.34 115.31 120.09 1p9k h LEU 29 Ca -0.05 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1p9k h LEU 29 Cb 0.73 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1p9k h LEU 29 CO -0.02 0.24 0.00 -0.62 -0.00 0.00 0.00 178.44 178.04 1p9k n GLU 30 N -4.75 0.18 -0.94 1.13 -0.58 -0.91 -4.90 120.64 109.88 1p9k n GLU 30 Ca 0.24 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1p9k n GLU 30 Cb 0.62 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.29 0.82 0.12 0.62 0.00 0.12 -5.01 105.19 103.15 1p9k n GLY 31 Ca 0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.25 -2.88 1.61 4.06 -0.53 -3.46 115.95 114.51 1p9k h TRP 32 Ca 0.00 -0.01 -0.63 0.00 2.06 0.00 0.00 58.89 60.31 1p9k h TRP 32 Cb 0.32 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.51 1p9k h TRP 32 CO 0.00 -0.16 -0.51 0.45 -3.56 0.00 0.00 178.44 174.67 1p9k s SER 33 N -3.59 6.28 0.22 -3.49 0.15 -1.26 -5.01 113.70 107.01 1p9k s SER 33 Ca -0.04 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1p9k s SER 33 Cb 0.00 -1.94 0.20 0.00 -1.71 0.00 0.00 66.02 62.57 1p9k s SER 33 CO 0.12 0.23 1.55 -0.08 1.20 0.00 0.00 173.24 176.26 1p9k h GLU 34 N 3.55 0.43 0.00 5.44 4.81 -1.96 -3.39 114.58 123.47 1p9k h GLU 34 Ca -0.47 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.47 1p9k h GLU 34 Cb 1.18 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1p9k h GLU 34 CO 0.71 0.86 -0.76 -1.13 -0.73 0.00 0.00 179.01 177.95 1p9k n SER 35 N -3.95 1.64 0.00 1.04 3.41 -1.26 -5.06 113.62 109.44 1p9k n SER 35 Ca -0.03 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1p9k n SER 35 Cb 0.59 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 2.12 1.46 0.00 5.00 0.00 -1.26 -4.89 105.19 107.62 1p9k n GLY 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.47 4.61 0.00 -1.26 -3.12 120.51 120.27 1p9k n ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 0.00 0.00 0.00 0.00 -0.06 -1.26 -2.70 117.38 113.36 1p9k n GLN 38 Ca 0.00 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 1p9k n GLN 38 Cb 0.19 -1.26 0.00 0.00 -4.06 0.00 0.00 30.24 25.10 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 -1.29 2.10 -1.41 1.69 0.00 -1.26 -4.76 120.51 115.57 1p9k n ALA 39 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1p9k n ALA 39 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.23 -0.96 -0.16 0.00 5.02 -1.10 -4.85 118.16 115.89 1p9k n LYS 40 Ca 0.00 0.98 0.28 0.00 -2.02 0.00 0.00 58.31 57.55 1p9k n LYS 40 Cb 0.07 -5.06 0.72 0.00 -0.02 0.00 0.00 35.03 30.74 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 0.53 0.00 -0.18 1.08 -1.82 0.18 117.51 117.30 1p9k h ILE 41 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1p9k h ILE 41 Cb 0.90 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1p9k h ILE 41 CO 0.41 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 1p9k n ALA 42 N -2.68 -0.05 -0.33 1.87 0.00 -1.18 -1.25 120.51 116.88 1p9k n ALA 42 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.80 1p9k n ALA 42 Cb 0.95 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.81 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 0.60 0.00 0.00 1.08 -1.79 -2.83 117.51 114.56 1p9k h ILE 43 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1p9k h ILE 43 Cb 0.00 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 1p9k h ILE 43 CO 0.00 0.10 0.00 0.00 -0.69 0.00 0.00 178.15 177.56 1p9k n ALA 44 N -2.39 -0.39 -0.22 1.87 0.00 0.62 -2.51 120.51 117.50 1p9k n ALA 44 Ca 0.25 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.89 1p9k n ALA 44 Cb 0.73 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.56 1p9k n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1p9k n GLU 45 N -1.75 -0.04 0.00 0.00 0.00 -0.38 -0.32 120.64 118.15 1p9k n GLU 45 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.09 1p9k n GLU 45 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 29.78 1p9k n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p9k n GLY 46 N -1.19 -2.82 0.00 8.31 0.00 -1.09 -2.34 105.19 106.06 1p9k n GLY 46 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.14 0.00 0.00 1.61 10.64 0.57 -3.85 117.38 125.21 1p9k n GLN 47 Ca 0.00 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 1p9k n GLN 47 Cb 0.00 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 1p9k n GLN 47 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1p9k n VAL 48 N -1.23 0.00 -3.57 -0.39 0.31 -0.13 -4.88 118.33 108.44 1p9k n VAL 48 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1p9k n VAL 48 Cb 0.23 -0.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.00 0.49 -0.01 5.55 -0.14 -1.04 -4.84 119.74 119.75 1p9k s LYS 49 Ca 0.00 1.23 0.04 0.00 -1.36 0.00 0.00 55.97 55.88 1p9k s LYS 49 Cb 0.00 0.74 -0.03 0.00 -1.68 0.00 0.00 37.83 36.86 1p9k s LYS 49 CO 0.00 -0.17 -0.11 0.08 -0.76 0.00 0.00 175.35 174.39 1p9k s VAL 50 N 2.76 3.31 -0.84 3.17 1.01 -0.84 0.43 120.40 129.40 1p9k s VAL 50 Ca -0.05 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1p9k s VAL 50 Cb -0.10 -2.39 -0.20 0.00 0.00 0.00 0.00 36.38 33.70 1p9k s VAL 50 CO -0.19 0.46 2.45 0.47 0.00 0.00 0.00 175.10 178.29 1p9k n ASP 51 N 1.83 0.64 -0.06 3.32 9.92 0.17 0.16 116.55 132.52 1p9k n ASP 51 Ca -0.16 -0.48 -0.01 0.00 -0.53 0.00 0.00 54.79 53.61 1p9k n ASP 51 Cb 0.52 -1.13 -0.00 0.00 -0.64 0.00 0.00 41.12 39.87 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 6.19 0.48 2.44 0.44 0.00 -1.26 -4.64 105.19 108.85 1p9k n GLY 52 Ca 0.56 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1p9k n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k n ALA 53 N 1.01 1.34 -2.24 4.61 0.00 0.41 -5.03 120.51 120.62 1p9k n ALA 53 Ca -0.01 -2.60 -0.42 0.00 0.00 0.00 0.00 53.44 50.41 1p9k n ALA 53 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1p9k n ALA 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1p9k n VAL 54 N 2.29 4.80 -3.16 0.00 3.14 -1.25 -1.99 118.33 122.15 1p9k n VAL 54 Ca 0.23 -4.49 -0.10 0.00 -2.96 0.00 0.00 64.34 57.01 1p9k n VAL 54 Cb 0.53 -2.21 0.03 0.00 -1.06 0.00 0.00 33.84 31.12 1p9k n VAL 54 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1p9k n GLU 55 N 2.78 0.87 -2.79 1.45 -0.58 -1.26 -4.98 120.64 116.14 1p9k n GLU 55 Ca 0.48 -1.54 -0.02 0.00 -0.42 0.00 0.00 57.16 55.67 1p9k n GLU 55 Cb 0.31 -0.05 0.06 0.00 -0.57 0.00 0.00 31.44 31.19 1p9k n GLU 55 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1p9k n THR 56 N -1.51 0.99 -2.61 2.62 5.66 -1.26 -1.39 114.28 116.78 1p9k n THR 56 Ca 0.06 -2.57 -0.23 0.00 -3.05 0.00 0.00 64.05 58.26 1p9k n THR 56 Cb 0.29 1.18 0.08 0.00 -1.55 0.00 0.00 70.33 70.33 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 -2.95 1.98 0.24 1.09 0.52 -1.26 -4.58 118.95 113.99 1p9k s ARG 57 Ca 0.24 -1.02 0.14 0.00 -0.52 0.00 0.00 55.73 54.57 1p9k s ARG 57 Cb 0.36 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 33.45 1p9k s ARG 57 CO -0.05 -1.19 1.36 0.87 0.02 0.00 0.00 175.30 176.31 1p9k h LYS 58 N -0.31 0.00 -3.88 3.54 6.56 -1.91 -3.42 116.57 117.15 1p9k h LYS 58 Ca -0.38 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.04 1p9k h LYS 58 Cb 1.28 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.72 1p9k h LYS 58 CO 0.44 0.54 -0.67 1.03 -2.06 0.00 0.00 179.45 178.73 1p9k s ARG 59 N -2.93 0.31 -0.10 3.15 0.52 -1.26 -3.98 118.95 114.66 1p9k s ARG 59 Ca 0.03 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1p9k s ARG 59 Cb 0.08 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.70 1p9k s ARG 59 CO 0.76 -0.05 0.04 0.00 0.02 0.00 0.00 175.30 176.06 1p9k s LYS 61 N 2.03 3.09 -0.03 0.00 1.02 -1.25 -4.30 119.74 120.29 1p9k s LYS 61 Ca 0.03 0.42 0.02 0.00 0.02 0.00 0.00 55.97 56.46 1p9k s LYS 61 Cb -0.14 -4.22 0.01 0.00 -0.52 0.00 0.00 37.83 32.97 1p9k s LYS 61 CO -0.06 -2.21 -0.07 0.42 -0.92 0.00 0.00 175.35 172.51 1p9k s ILE 62 N 6.92 0.70 0.27 2.17 1.01 -1.25 -4.95 121.20 126.07 1p9k s ILE 62 Ca 0.55 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1p9k s ILE 62 Cb -0.11 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1p9k s ILE 62 CO 0.22 0.24 0.22 0.68 0.00 0.00 0.00 174.94 176.30 1p9k s VAL 63 N 0.45 0.00 0.00 2.92 -7.23 -1.26 -3.65 120.40 111.63 1p9k s VAL 63 Ca -0.07 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1p9k s VAL 63 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1p9k s VAL 63 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 1p9k n ALA 64 N -0.46 0.00 -3.61 1.32 0.00 -1.26 -4.34 120.51 112.16 1p9k n ALA 64 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1p9k n ALA 64 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.15 2.85 0.34 0.00 0.00 -1.22 -2.81 107.32 106.34 1p9k s GLY 65 Ca 0.00 -3.59 0.07 0.00 0.00 0.00 0.00 44.72 41.20 1p9k s GLY 65 CO 0.00 1.18 -0.03 1.20 0.00 0.00 0.00 173.10 175.45 1p9k s GLN 66 N -0.75 1.76 0.14 2.90 -1.52 -0.84 -4.92 119.66 116.43 1p9k s GLN 66 Ca 0.23 -1.94 0.08 0.00 -1.95 0.00 0.00 55.36 51.78 1p9k s GLN 66 Cb -0.12 -1.39 -0.04 0.00 -0.22 0.00 0.00 33.01 31.24 1p9k s GLN 66 CO -0.09 0.00 -0.18 0.99 -0.25 0.00 0.00 175.29 175.76 1p9k s THR 67 N -2.87 1.68 0.04 -0.19 2.01 -1.26 0.15 115.64 115.21 1p9k s THR 67 Ca 0.33 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 60.61 1p9k s THR 67 Cb 0.06 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1p9k s THR 67 CO 0.16 -0.26 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.02 1p9k s VAL 68 N -1.80 0.90 -0.02 3.82 1.01 0.16 0.42 120.40 124.90 1p9k s VAL 68 Ca 0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1p9k s VAL 68 Cb -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1p9k s VAL 68 CO 0.05 -0.13 -0.06 -0.44 0.00 0.00 0.00 175.10 174.52 1p9k s SER 69 N -1.27 0.84 -0.29 3.32 0.01 0.17 -1.64 113.70 114.83 1p9k s SER 69 Ca -0.02 -0.12 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 1p9k s SER 69 Cb -0.08 -0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.12 1p9k s SER 69 CO 0.01 0.04 1.30 0.12 0.41 0.00 0.00 173.24 175.12 1p9k s PHE 70 N 0.19 -0.17 -1.41 2.43 5.36 -0.68 -2.49 117.98 121.22 1p9k s PHE 70 Ca -0.02 0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 56.22 1p9k s PHE 70 Cb -0.07 0.36 0.09 0.00 -0.34 0.00 0.00 43.02 43.06 1p9k s PHE 70 CO -0.00 -0.08 0.63 0.00 -1.46 0.00 0.00 175.22 174.31 1p9k n ALA 71 N 2.16 -1.13 -0.51 11.12 0.00 -1.26 0.80 120.51 131.69 1p9k n ALA 71 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1p9k n ALA 71 Cb 0.57 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.75 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 -1.32 1.91 3.51 0.00 0.00 -1.26 -4.98 105.19 103.05 1p9k n GLY 72 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.49 2.96 -0.39 1.61 3.76 0.24 -5.01 115.29 114.97 1p9k s HIS 73 Ca 0.00 -0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1p9k s HIS 73 Cb 0.00 -3.69 0.09 0.00 1.11 0.00 0.00 32.58 30.09 1p9k s HIS 73 CO 0.00 -1.08 0.18 -1.12 -0.85 0.00 0.00 174.74 171.87 1p9k s SER 74 N 2.45 5.32 0.09 1.40 0.01 -1.26 -1.68 113.70 120.03 1p9k s SER 74 Ca 0.25 -1.69 0.04 0.00 1.31 0.00 0.00 55.95 55.86 1p9k s SER 74 Cb -0.14 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1p9k s SER 74 CO 0.18 -0.48 -0.11 -0.69 0.41 0.00 0.00 173.24 172.55 1p9k s VAL 75 N 1.27 0.98 0.40 3.43 1.01 -0.65 -4.60 120.40 122.23 1p9k s VAL 75 Ca 0.04 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.51 1p9k s VAL 75 Cb -0.22 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1p9k s VAL 75 CO -0.01 -0.50 0.18 -1.10 0.00 0.00 0.00 175.10 173.67 1p9k s GLN 76 N -2.59 2.27 -0.03 2.72 -0.21 -0.67 0.40 119.66 121.55 1p9k s GLN 76 Ca 0.04 -1.76 0.06 0.00 0.02 0.00 0.00 55.36 53.72 1p9k s GLN 76 Cb -0.04 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1p9k s GLN 76 CO 0.01 -0.07 -0.20 0.08 -2.12 0.00 0.00 175.29 172.99 1p9k s VAL 77 N -2.55 1.60 0.07 1.09 1.01 0.41 0.71 120.40 122.74 1p9k s VAL 77 Ca 0.41 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1p9k s VAL 77 Cb 0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1p9k s VAL 77 CO 0.23 0.46 -0.18 0.68 0.00 0.00 0.00 175.10 176.28 1p9k s VAL 78 N -0.26 1.49 -2.44 2.92 -7.23 -0.41 -1.98 120.40 112.49 1p9k s VAL 78 Ca 0.02 -1.31 0.28 0.00 -1.81 0.00 0.00 61.98 59.17 1p9k s VAL 78 Cb -0.10 -1.34 0.59 0.00 0.56 0.00 0.00 36.38 36.09 1p9k s VAL 78 CO 0.01 -0.01 1.81 0.00 -0.31 0.00 0.00 175.10 176.60