#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 7.43 -0.18 1.61 0.15 -1.26 -5.06 113.70 116.39 1p9k s SER 2 Ca 0.00 1.69 -0.18 0.00 0.70 0.00 0.00 55.95 58.16 1p9k s SER 2 Cb 0.00 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1p9k s SER 2 CO 0.00 0.12 0.51 -0.04 1.20 0.00 0.00 173.24 175.03 1p9k s MET 3 N -0.77 0.63 0.01 5.44 1.00 -1.26 -5.16 119.30 119.19 1p9k s MET 3 Ca 0.39 0.65 -0.16 0.00 0.00 0.00 0.00 55.69 56.57 1p9k s MET 3 Cb -0.23 0.30 -0.06 0.00 0.00 0.00 0.00 34.83 34.84 1p9k s MET 3 CO 0.27 -0.09 0.46 0.42 0.00 0.00 0.00 175.02 176.09 1p9k s ILE 4 N 0.13 4.95 0.27 2.53 -1.09 -1.26 -4.95 121.20 121.78 1p9k s ILE 4 Ca -0.01 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1p9k s ILE 4 Cb -0.04 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1p9k s ILE 4 CO 0.01 0.55 0.00 1.41 -1.23 0.00 0.00 174.94 175.68 1p9k n HIS 5 N 1.94 -2.29 -3.79 3.97 8.25 -1.26 -5.11 115.22 116.92 1p9k n HIS 5 Ca -0.12 0.41 -0.31 0.00 -0.26 0.00 0.00 57.72 57.44 1p9k n HIS 5 Cb 0.52 0.54 -0.04 0.00 1.12 0.00 0.00 29.99 32.13 1p9k n HIS 5 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1p9k s ARG 6 N -2.00 3.52 0.20 -0.41 6.06 -1.26 -5.12 118.95 119.95 1p9k s ARG 6 Ca 0.00 -0.29 0.02 0.00 -2.50 0.00 0.00 55.73 52.96 1p9k s ARG 6 Cb 0.00 -2.93 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 1p9k s ARG 6 CO 0.00 0.52 0.01 0.00 -2.50 0.00 0.00 175.30 173.34 1p9k s MET 7 N -2.70 1.23 -0.16 5.12 0.23 -1.26 -5.15 119.30 116.60 1p9k s MET 7 Ca 0.38 -1.61 -0.04 0.00 -1.03 0.00 0.00 55.69 53.38 1p9k s MET 7 Cb -0.12 -0.38 0.07 0.00 -1.53 0.00 0.00 34.83 32.86 1p9k s MET 7 CO 0.27 -0.14 0.16 -1.54 -2.03 0.00 0.00 175.02 171.73 1p9k s SER 8 N -3.24 1.58 0.00 -1.18 1.04 -1.26 -4.97 113.70 105.67 1p9k s SER 8 Ca 0.27 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1p9k s SER 8 Cb 0.06 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1p9k s SER 8 CO 0.07 -0.31 0.00 -3.20 0.98 0.00 0.00 173.24 170.77 1p9k n ASN 9 N 5.31 0.00 -4.74 7.02 2.85 -1.26 -5.09 115.26 119.34 1p9k n ASN 9 Ca -0.06 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.01 1p9k n ASN 9 Cb 0.49 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.46 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1p9k s MET 10 N -1.00 4.78 0.20 1.20 -1.94 -1.26 -5.03 119.30 116.24 1p9k s MET 10 Ca 0.00 1.51 -0.24 0.00 -1.71 0.00 0.00 55.69 55.25 1p9k s MET 10 Cb 0.00 -3.31 -0.08 0.00 2.01 0.00 0.00 34.83 33.45 1p9k s MET 10 CO 0.00 0.37 0.78 0.00 -0.01 0.00 0.00 175.02 176.16 1p9k s ALA 11 N -0.72 3.41 -0.02 3.03 0.00 -1.26 -5.04 121.76 121.16 1p9k s ALA 11 Ca 0.44 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1p9k s ALA 11 Cb -0.26 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1p9k s ALA 11 CO 0.32 0.29 -0.05 0.95 0.00 0.00 0.00 175.76 177.27 1p9k s THR 12 N -1.30 0.43 -0.05 0.00 -4.23 -1.26 -2.30 115.64 106.93 1p9k s THR 12 Ca 0.39 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1p9k s THR 12 Cb -0.21 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1p9k s THR 12 CO 0.25 0.15 0.08 0.12 -0.54 0.00 0.00 174.62 174.68 1p9k s PHE 13 N 0.30 3.33 -0.14 3.99 2.19 0.36 -4.94 117.98 123.07 1p9k s PHE 13 Ca -0.03 0.27 -0.04 0.00 0.33 0.00 0.00 56.93 57.45 1p9k s PHE 13 Cb -0.07 -1.79 -0.03 0.00 -1.31 0.00 0.00 43.02 39.81 1p9k s PHE 13 CO -0.00 0.57 0.00 -1.12 1.83 0.00 0.00 175.22 176.50 1p9k s SER 14 N -1.40 5.17 0.12 6.13 0.01 -1.26 -1.79 113.70 120.67 1p9k s SER 14 Ca 0.19 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.39 1p9k s SER 14 Cb -0.12 -1.76 -0.13 0.00 0.21 0.00 0.00 66.02 64.23 1p9k s SER 14 CO 0.09 0.23 1.28 0.25 0.41 0.00 0.00 173.24 175.50 1p9k h LEU 15 N 6.28 0.67 0.00 2.44 6.46 -1.87 -3.48 115.31 125.80 1p9k h LEU 15 Ca -0.38 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 56.86 1p9k h LEU 15 Cb 1.18 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 1p9k h LEU 15 CO 0.63 1.32 0.00 0.61 -0.62 0.00 0.00 178.44 180.37 1p9k n GLY 16 N 0.93 0.82 3.63 3.75 0.00 -1.26 -3.97 105.19 109.09 1p9k n GLY 16 Ca -0.08 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.09 -6.96 -4.21 1.61 4.01 -1.26 -5.00 118.16 105.26 1p9k n LYS 17 Ca 0.00 0.77 -0.25 0.00 -0.51 0.00 0.00 58.31 58.32 1p9k n LYS 17 Cb 0.34 -5.75 -0.08 0.00 -0.51 0.00 0.00 35.03 29.04 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1p9k s HIS 18 N -3.36 2.60 0.26 2.13 3.76 -1.25 -5.03 115.29 114.39 1p9k s HIS 18 Ca 0.42 -0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1p9k s HIS 18 Cb -0.19 -1.83 0.55 0.00 1.11 0.00 0.00 32.58 32.22 1p9k s HIS 18 CO 0.76 0.28 1.72 -1.00 -0.85 0.00 0.00 174.74 175.65 1p9k h PRO 19 N 1.54 0.44 0.00 8.40 0.13 -1.94 -3.47 132.00 137.09 1p9k h PRO 19 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p9k h PRO 19 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1p9k h PRO 19 CO 0.70 0.29 0.00 -2.39 -0.23 0.00 0.00 178.00 176.37 1p9k n HIS 20 N -5.00 0.00 -3.96 1.56 1.44 -1.26 -4.81 115.22 103.18 1p9k n HIS 20 Ca 0.17 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.79 1p9k n HIS 20 Cb 0.49 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.50 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 -3.00 0.13 0.13 0.61 -7.23 -1.24 -4.99 120.40 104.82 1p9k s VAL 21 Ca 0.00 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 1p9k s VAL 21 Cb 0.00 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1p9k s VAL 21 CO 0.00 -0.61 0.25 -1.61 -0.31 0.00 0.00 175.10 172.82 1p9k s GLU 22 N -2.32 3.38 0.22 4.82 2.02 -1.26 -4.12 118.70 121.44 1p9k s GLU 22 Ca -0.08 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.13 1p9k s GLU 22 Cb -0.03 -2.95 0.20 0.00 0.10 0.00 0.00 34.13 31.45 1p9k s GLU 22 CO -0.04 0.54 1.55 -0.07 0.02 0.00 0.00 175.26 177.26 1p9k h LEU 23 N 2.38 -1.52 -1.63 1.80 4.07 -1.82 1.28 115.31 119.87 1p9k h LEU 23 Ca -0.48 0.31 0.06 0.00 0.08 0.00 0.00 57.88 57.86 1p9k h LEU 23 Cb 1.19 0.78 -0.03 0.00 1.08 0.00 0.00 40.66 43.67 1p9k h LEU 23 CO 0.70 -0.28 0.35 0.00 -1.08 0.00 0.00 178.44 178.12 1p9k h ASP 25 N 0.45 -0.23 -0.30 0.00 5.19 0.10 -1.52 116.42 120.13 1p9k h ASP 25 Ca 0.23 -0.30 0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1p9k h ASP 25 Cb 0.33 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1p9k h ASP 25 CO -0.06 0.30 0.11 0.25 -3.12 0.00 0.00 179.24 176.72 1p9k h LEU 26 N -0.88 0.14 0.72 1.55 6.46 -0.11 -1.72 115.31 121.47 1p9k h LEU 26 Ca -0.03 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1p9k h LEU 26 Cb 0.51 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1p9k h LEU 26 CO 0.04 0.12 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.56 1p9k h LEU 27 N 0.25 -0.82 0.11 2.25 4.07 -0.89 -2.23 115.31 118.04 1p9k h LEU 27 Ca 0.13 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.11 1p9k h LEU 27 Cb 0.09 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 1p9k h LEU 27 CO -0.12 -0.47 -0.50 0.50 -1.08 0.00 0.00 178.44 176.77 1p9k h LYS 28 N -1.20 -0.70 -0.18 1.13 3.11 -1.27 0.71 116.57 118.17 1p9k h LYS 28 Ca -0.10 0.05 0.04 0.00 -2.81 0.00 0.00 60.65 57.83 1p9k h LYS 28 Cb 0.77 0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 32.11 1p9k h LYS 28 CO 0.16 -0.47 -0.08 -0.07 -2.81 0.00 0.00 179.45 176.18 1p9k h LEU 29 N -0.72 -0.28 -1.43 5.20 3.38 -1.42 -0.66 115.31 119.37 1p9k h LEU 29 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p9k h LEU 29 Cb 0.74 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1p9k h LEU 29 CO -0.28 -0.11 0.00 -0.33 0.09 0.00 0.00 178.44 177.81 1p9k h GLU 30 N -0.07 0.00 0.00 1.13 4.39 -1.20 -3.45 114.58 115.39 1p9k h GLU 30 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1p9k h GLU 30 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1p9k h GLU 30 CO -0.22 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.04 1p9k n GLY 31 N -1.04 1.21 0.07 -3.84 0.00 -0.25 -5.03 105.19 96.31 1p9k n GLY 31 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.14 -3.29 1.61 4.06 0.25 -3.46 115.95 114.97 1p9k h TRP 32 Ca 0.00 -0.00 -0.67 0.00 2.06 0.00 0.00 58.89 60.28 1p9k h TRP 32 Cb 0.03 0.05 -0.13 0.00 -1.00 0.00 0.00 29.16 28.10 1p9k h TRP 32 CO 0.00 -0.09 -0.62 0.45 -3.56 0.00 0.00 178.44 174.62 1p9k s SER 33 N -3.51 5.27 0.24 -3.49 0.15 -1.25 -4.98 113.70 106.14 1p9k s SER 33 Ca -0.02 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.72 1p9k s SER 33 Cb 0.00 -1.44 0.28 0.00 -1.71 0.00 0.00 66.02 63.15 1p9k s SER 33 CO 0.07 0.31 1.60 -0.08 1.20 0.00 0.00 173.24 176.34 1p9k h GLU 34 N 4.57 0.39 0.00 5.44 4.57 -1.90 -3.38 114.58 124.26 1p9k h GLU 34 Ca -0.50 -0.22 -0.26 0.00 -1.18 0.00 0.00 59.36 57.20 1p9k h GLU 34 Cb 1.18 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 1p9k h GLU 34 CO 0.57 0.79 -1.81 -1.13 -1.18 0.00 0.00 179.01 176.24 1p9k n SER 35 N -3.98 1.46 0.00 1.04 3.41 -1.26 -5.06 113.62 109.24 1p9k n SER 35 Ca -0.02 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1p9k n SER 35 Cb 0.55 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.81 2.05 0.00 5.00 0.00 -1.26 -4.91 105.19 107.88 1p9k n GLY 36 Ca -0.33 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.87 -0.11 4.61 0.00 -1.26 -2.99 120.51 121.63 1p9k n ALA 37 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 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 -2.22 117.38 113.84 1p9k n GLN 38 Ca 0.00 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 1p9k n GLN 38 Cb 0.47 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 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 -2.06 2.22 -1.25 1.69 0.00 -1.26 -4.76 120.51 115.09 1p9k n ALA 39 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 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 -0.16 -0.64 0.31 0.00 5.02 -0.94 -4.88 118.16 116.87 1p9k n LYS 40 Ca 0.00 0.78 0.18 0.00 -2.02 0.00 0.00 58.31 57.25 1p9k n LYS 40 Cb 0.11 -4.65 1.01 0.00 -0.02 0.00 0.00 35.03 31.47 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 0.30 0.00 -0.18 2.04 -1.79 -0.99 117.51 116.89 1p9k h ILE 41 Ca -0.17 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1p9k h ILE 41 Cb 0.58 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1p9k h ILE 41 CO 0.25 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.42 1p9k n ALA 42 N -2.21 -0.06 -0.31 1.87 0.00 -1.16 -1.45 120.51 117.19 1p9k n ALA 42 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1p9k n ALA 42 Cb 0.11 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.82 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 0.70 0.00 0.00 1.08 -1.85 -2.71 117.51 114.74 1p9k h ILE 43 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1p9k h ILE 43 Cb 0.00 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.74 1p9k h ILE 43 CO 0.00 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1p9k n ALA 44 N -2.40 -0.39 -0.22 1.87 0.00 -0.38 -2.43 120.51 116.57 1p9k n ALA 44 Ca 0.19 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.85 1p9k n ALA 44 Cb 0.49 0.05 0.39 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.93 -0.04 0.00 0.00 0.00 -0.53 -0.72 120.64 117.43 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 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 29.77 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 -1.18 -2.70 0.00 8.31 0.00 -1.04 -2.55 105.19 106.03 1p9k n GLY 46 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.20 0.00 0.00 1.61 10.64 0.10 -3.68 117.38 124.86 1p9k n GLN 47 Ca 0.00 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1p9k n GLN 47 Cb 0.00 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 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 -1.14 0.00 -3.63 -0.39 0.31 -0.60 -4.82 118.33 108.07 1p9k n VAL 48 Ca 0.00 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 1p9k n VAL 48 Cb 0.22 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.60 0.11 5.55 -0.14 -1.03 -4.77 119.74 120.05 1p9k s LYS 49 Ca 0.00 1.20 0.10 0.00 -1.36 0.00 0.00 55.97 55.90 1p9k s LYS 49 Cb 0.00 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.50 1p9k s LYS 49 CO 0.00 -0.15 -0.25 0.08 -0.76 0.00 0.00 175.35 174.27 1p9k s VAL 50 N 2.06 2.06 -0.76 3.17 1.01 -0.76 0.06 120.40 127.24 1p9k s VAL 50 Ca -0.08 -1.63 -0.32 0.00 0.00 0.00 0.00 61.98 59.94 1p9k s VAL 50 Cb -0.07 -1.83 -0.18 0.00 0.00 0.00 0.00 36.38 34.31 1p9k s VAL 50 CO -0.19 0.08 2.51 -0.67 0.00 0.00 0.00 175.10 176.83 1p9k n ASP 51 N 1.09 0.94 -1.38 3.32 -0.08 0.29 0.17 116.55 120.90 1p9k n ASP 51 Ca -0.18 0.14 -0.17 0.00 -1.51 0.00 0.00 54.79 53.07 1p9k n ASP 51 Cb 0.53 -1.08 -0.07 0.00 2.34 0.00 0.00 41.12 42.84 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 6.55 1.55 2.43 0.27 0.00 -1.26 -4.77 105.19 109.97 1p9k n GLY 52 Ca 0.56 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 1.08 1.31 -1.88 4.61 0.00 0.44 -5.02 120.51 121.05 1p9k n ALA 53 Ca -0.18 -2.63 -0.41 0.00 0.00 0.00 0.00 53.44 50.23 1p9k n ALA 53 Cb 0.58 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 2.12 4.58 -3.12 0.00 3.14 -1.25 -1.82 118.33 121.99 1p9k n VAL 54 Ca 0.21 -3.75 -0.00 0.00 -2.96 0.00 0.00 64.34 57.84 1p9k n VAL 54 Cb 0.54 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.97 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 3.25 1.10 -2.70 1.45 1.02 -1.26 -4.96 120.64 118.54 1p9k n GLU 55 Ca 0.60 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.60 1p9k n GLU 55 Cb 0.29 -0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.75 1p9k n GLU 55 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1p9k n THR 56 N -0.91 0.90 -2.94 2.62 5.66 -1.26 -1.82 114.28 116.53 1p9k n THR 56 Ca 0.00 -2.78 -0.19 0.00 -3.05 0.00 0.00 64.05 58.03 1p9k n THR 56 Cb 0.01 0.84 0.04 0.00 -1.55 0.00 0.00 70.33 69.68 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 -2.78 2.48 0.05 1.09 0.52 -1.26 -4.54 118.95 114.50 1p9k s ARG 57 Ca 0.26 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 54.00 1p9k s ARG 57 Cb 0.43 -2.65 -0.33 0.00 0.52 0.00 0.00 34.95 32.92 1p9k s ARG 57 CO 0.00 -0.67 1.06 0.87 0.02 0.00 0.00 175.30 176.58 1p9k h LYS 58 N 0.28 0.49 -5.41 3.54 1.57 -1.91 -3.40 116.57 111.73 1p9k h LYS 58 Ca -0.36 -0.80 -0.41 0.00 -1.87 0.00 0.00 60.65 57.21 1p9k h LYS 58 Cb 1.28 0.29 -0.15 0.00 0.08 0.00 0.00 32.23 33.74 1p9k h LYS 58 CO 0.44 1.38 -0.73 -0.98 -0.57 0.00 0.00 179.45 178.98 1p9k s ARG 59 N -2.68 1.22 -0.10 3.15 3.03 -1.26 -3.77 118.95 118.53 1p9k s ARG 59 Ca -0.08 -1.51 -0.03 0.00 2.03 0.00 0.00 55.73 56.14 1p9k s ARG 59 Cb 0.05 -0.95 0.05 0.00 -1.03 0.00 0.00 34.95 33.07 1p9k s ARG 59 CO 0.93 0.15 0.09 0.00 -1.13 0.00 0.00 175.30 175.34 1p9k s LYS 61 N 2.18 2.81 -0.02 0.00 1.02 -1.26 -4.36 119.74 120.11 1p9k s LYS 61 Ca 0.04 0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.13 1p9k s LYS 61 Cb -0.14 -4.59 0.00 0.00 -0.52 0.00 0.00 37.83 32.59 1p9k s LYS 61 CO -0.06 -2.71 -0.07 0.42 -0.92 0.00 0.00 175.35 172.00 1p9k s ILE 62 N 8.27 0.65 0.28 2.17 1.01 -1.26 -5.00 121.20 127.33 1p9k s ILE 62 Ca 0.59 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1p9k s ILE 62 Cb -0.09 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 1p9k s ILE 62 CO 0.12 0.21 0.27 0.68 0.00 0.00 0.00 174.94 176.22 1p9k s VAL 63 N 0.22 0.00 0.00 2.92 -7.23 -1.26 -3.64 120.40 111.40 1p9k s VAL 63 Ca -0.03 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1p9k s VAL 63 Cb -0.08 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.36 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 -0.48 0.00 -3.52 1.32 0.00 -1.26 -4.33 120.51 112.23 1p9k n ALA 64 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1p9k n ALA 64 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.29 2.82 0.42 0.00 0.00 -1.23 -2.94 107.32 106.10 1p9k s GLY 65 Ca 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 44.72 41.24 1p9k s GLY 65 CO 0.00 1.21 0.02 1.20 0.00 0.00 0.00 173.10 175.53 1p9k s GLN 66 N -0.53 1.95 0.09 2.90 -1.52 -0.76 -4.91 119.66 116.88 1p9k s GLN 66 Ca 0.22 -2.14 0.05 0.00 -1.95 0.00 0.00 55.36 51.54 1p9k s GLN 66 Cb -0.12 -1.42 -0.03 0.00 -0.22 0.00 0.00 33.01 31.22 1p9k s GLN 66 CO -0.08 -0.17 -0.14 0.99 -0.25 0.00 0.00 175.29 175.64 1p9k s THR 67 N -2.88 1.19 0.06 -0.19 2.01 -1.26 0.15 115.64 114.71 1p9k s THR 67 Ca 0.28 -1.49 0.02 0.00 0.31 0.00 0.00 61.69 60.82 1p9k s THR 67 Cb 0.08 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1p9k s THR 67 CO 0.14 -0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.98 1p9k s VAL 68 N -1.69 0.63 -0.09 3.82 1.01 0.31 0.11 120.40 124.49 1p9k s VAL 68 Ca 0.03 -1.32 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 1p9k s VAL 68 Cb -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1p9k s VAL 68 CO 0.02 -0.50 0.23 -0.44 0.00 0.00 0.00 175.10 174.41 1p9k s SER 69 N -1.98 -0.24 -0.08 3.32 0.01 0.11 -0.10 113.70 114.75 1p9k s SER 69 Ca -0.04 0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 1p9k s SER 69 Cb -0.06 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.64 1p9k s SER 69 CO -0.01 -0.10 0.03 0.12 0.41 0.00 0.00 173.24 173.69 1p9k s PHE 70 N 0.39 0.48 -0.00 2.43 5.36 -0.92 -2.48 117.98 123.24 1p9k s PHE 70 Ca -0.02 -0.09 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 1p9k s PHE 70 Cb -0.04 -0.71 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 1p9k s PHE 70 CO -0.02 -0.32 0.00 0.00 -1.46 0.00 0.00 175.22 173.43 1p9k n ALA 71 N 5.20 -0.91 0.00 11.12 0.00 -1.26 0.16 120.51 134.81 1p9k n ALA 71 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p9k n ALA 71 Cb 0.50 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.46 1.12 3.48 0.00 0.00 -1.26 -5.05 105.19 103.02 1p9k n GLY 72 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.29 -0.26 1.61 3.76 0.41 -4.98 115.29 117.12 1p9k s HIS 73 Ca 0.00 -1.84 -0.21 0.00 -0.15 0.00 0.00 55.06 52.85 1p9k s HIS 73 Cb 0.00 -4.37 -0.02 0.00 1.11 0.00 0.00 32.58 29.30 1p9k s HIS 73 CO 0.00 -1.49 0.68 0.45 -0.85 0.00 0.00 174.74 173.53 1p9k s SER 74 N 3.28 6.63 0.03 1.40 0.15 -1.26 -2.15 113.70 121.77 1p9k s SER 74 Ca 0.42 0.77 -0.04 0.00 0.70 0.00 0.00 55.95 57.79 1p9k s SER 74 Cb -0.02 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1p9k s SER 74 CO -0.02 -0.41 0.06 -0.69 1.20 0.00 0.00 173.24 173.38 1p9k s VAL 75 N 2.59 0.12 0.33 4.45 1.01 0.86 -4.47 120.40 125.29 1p9k s VAL 75 Ca 0.28 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1p9k s VAL 75 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1p9k s VAL 75 CO 0.08 -0.56 0.10 -1.10 0.00 0.00 0.00 175.10 173.62 1p9k s GLN 76 N -2.10 2.31 0.01 2.72 -0.21 -0.97 0.11 119.66 121.53 1p9k s GLN 76 Ca -0.09 -1.56 0.04 0.00 0.02 0.00 0.00 55.36 53.76 1p9k s GLN 76 Cb -0.04 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 1p9k s GLN 76 CO -0.03 0.16 -0.11 0.08 -2.12 0.00 0.00 175.29 173.27 1p9k s VAL 77 N -2.43 0.87 0.20 1.09 1.01 0.39 0.14 120.40 121.68 1p9k s VAL 77 Ca 0.36 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1p9k s VAL 77 Cb -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1p9k s VAL 77 CO 0.22 0.10 0.11 0.68 0.00 0.00 0.00 175.10 176.20 1p9k s VAL 78 N -0.54 0.18 0.00 2.92 -7.23 -0.74 -1.83 120.40 113.16 1p9k s VAL 78 Ca 0.02 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1p9k s VAL 78 Cb -0.06 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1p9k s VAL 78 CO 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 175.10 174.71