#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 0.17 0.00 1.61 7.64 -1.26 -4.91 113.62 116.88 1p9k n SER 2 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1p9k n SER 2 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1p9k n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1p9k n MET 3 N -2.98 0.00 0.00 1.43 2.81 -1.26 -1.24 117.12 115.88 1p9k n MET 3 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1p9k n MET 3 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1p9k n MET 3 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1p9k n ILE 4 N 0.00 0.00 -3.05 2.02 3.06 -1.26 -5.09 119.36 115.03 1p9k n ILE 4 Ca 0.00 -0.18 -0.19 0.00 -2.50 0.00 0.00 62.75 59.88 1p9k n ILE 4 Cb 0.00 1.51 0.05 0.00 0.54 0.00 0.00 39.64 41.74 1p9k n ILE 4 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1p9k s HIS 5 N -0.07 1.61 -0.11 9.51 0.09 -0.38 -5.12 115.29 120.82 1p9k s HIS 5 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 55.06 54.38 1p9k s HIS 5 Cb 0.00 -2.23 0.02 0.00 -0.00 0.00 0.00 32.58 30.38 1p9k s HIS 5 CO 0.00 -1.04 -0.10 1.03 -0.00 0.00 0.00 174.74 174.63 1p9k s ARG 6 N -4.61 1.71 -0.10 1.40 3.00 -1.26 -4.81 118.95 114.28 1p9k s ARG 6 Ca 0.60 -0.35 0.19 0.00 0.00 0.00 0.00 55.73 56.18 1p9k s ARG 6 Cb -0.06 -1.63 0.43 0.00 0.00 0.00 0.00 34.95 33.69 1p9k s ARG 6 CO 0.38 -0.18 1.19 -0.12 0.00 0.00 0.00 175.30 176.57 1p9k n MET 7 N 4.60 0.76 -3.87 3.54 1.56 -1.26 -5.08 117.12 117.37 1p9k n MET 7 Ca -0.16 -2.62 0.00 0.00 -0.27 0.00 0.00 57.70 54.66 1p9k n MET 7 Cb 0.50 -0.75 0.01 0.00 2.15 0.00 0.00 33.22 35.13 1p9k n MET 7 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1p9k s SER 8 N -2.58 -0.02 -0.08 6.12 1.04 -1.26 -5.16 113.70 111.77 1p9k s SER 8 Ca 0.36 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 1p9k s SER 8 Cb 0.38 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1p9k s SER 8 CO -0.12 -0.53 -0.02 0.20 0.98 0.00 0.00 173.24 173.75 1p9k s ASN 9 N -3.48 1.62 -0.53 7.02 -0.87 -1.26 -5.10 114.94 112.34 1p9k s ASN 9 Ca 0.23 -0.13 -0.28 0.00 -1.57 0.00 0.00 52.86 51.11 1p9k s ASN 9 Cb -0.00 -0.51 0.03 0.00 -0.02 0.00 0.00 41.25 40.74 1p9k s ASN 9 CO 0.01 -0.16 1.23 -0.04 -2.57 0.00 0.00 177.10 175.57 1p9k s MET 10 N 1.79 3.55 -0.59 -0.60 -1.94 -1.26 -4.95 119.30 115.31 1p9k s MET 10 Ca 0.03 0.45 -0.26 0.00 -1.71 0.00 0.00 55.69 54.20 1p9k s MET 10 Cb -0.13 -4.00 -0.03 0.00 2.01 0.00 0.00 34.83 32.68 1p9k s MET 10 CO -0.05 -1.62 2.01 0.00 -0.01 0.00 0.00 175.02 175.35 1p9k s ALA 11 N 5.02 2.01 -0.05 3.03 0.00 -1.26 -4.93 121.76 125.59 1p9k s ALA 11 Ca 0.48 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1p9k s ALA 11 Cb -0.08 -4.32 0.03 0.00 0.00 0.00 0.00 23.12 18.74 1p9k s ALA 11 CO 0.28 -4.08 0.04 0.95 0.00 0.00 0.00 175.76 172.95 1p9k s THR 12 N 9.95 0.05 0.17 0.00 -4.23 -1.25 -1.48 115.64 118.85 1p9k s THR 12 Ca 0.75 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 1p9k s THR 12 Cb -0.14 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1p9k s THR 12 CO 0.22 0.19 0.32 0.12 -0.54 0.00 0.00 174.62 174.93 1p9k s PHE 13 N 1.94 3.48 0.06 3.99 5.36 0.32 -4.94 117.98 128.20 1p9k s PHE 13 Ca 0.03 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1p9k s PHE 13 Cb -0.12 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1p9k s PHE 13 CO -0.03 0.47 0.05 -1.12 -1.46 0.00 0.00 175.22 173.12 1p9k s SER 14 N -3.28 5.34 -0.02 6.13 0.01 -1.26 -0.44 113.70 120.18 1p9k s SER 14 Ca 0.36 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.60 1p9k s SER 14 Cb -0.11 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 1p9k s SER 14 CO 0.29 0.20 0.01 0.18 0.41 0.00 0.00 173.24 174.33 1p9k n LEU 15 N 0.70 0.00 -1.88 2.44 4.77 -0.18 -4.88 117.00 117.98 1p9k n LEU 15 Ca -0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 1p9k n LEU 15 Cb 0.52 0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1p9k n LEU 15 CO 0.41 0.05 0.11 0.61 -1.33 0.00 0.00 177.39 177.23 1p9k n GLY 16 N 2.81 0.29 3.21 -0.72 0.00 -1.26 -4.01 105.19 105.50 1p9k n GLY 16 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.51 -1.44 -4.24 1.61 4.81 -1.26 -5.04 118.16 110.08 1p9k n LYS 17 Ca 0.00 1.28 -0.25 0.00 -0.87 0.00 0.00 58.31 58.47 1p9k n LYS 17 Cb 0.53 -5.24 -0.08 0.00 0.02 0.00 0.00 35.03 30.26 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 -3.06 2.59 0.03 5.64 3.76 -1.26 -5.07 115.29 117.92 1p9k s HIS 18 Ca 0.07 -0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 54.12 1p9k s HIS 18 Cb -0.01 -1.92 -0.17 0.00 1.11 0.00 0.00 32.58 31.58 1p9k s HIS 18 CO 0.77 0.24 1.46 -1.00 -0.85 0.00 0.00 174.74 175.36 1p9k h PRO 19 N 1.50 -0.15 0.00 8.40 0.13 -1.94 -3.46 132.00 136.48 1p9k h PRO 19 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1p9k h PRO 19 Cb 1.25 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1p9k h PRO 19 CO 0.72 0.11 0.00 -2.39 -0.23 0.00 0.00 178.00 176.21 1p9k n HIS 20 N -5.05 0.00 -4.03 1.56 1.44 -1.26 -4.59 115.22 103.29 1p9k n HIS 20 Ca -0.09 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.55 1p9k n HIS 20 Cb 0.18 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.20 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 -2.03 0.18 -0.02 0.61 -7.23 -1.22 -4.94 120.40 105.75 1p9k s VAL 21 Ca 0.00 -1.65 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1p9k s VAL 21 Cb 0.00 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1p9k s VAL 21 CO 0.00 -0.80 0.21 -1.61 -0.31 0.00 0.00 175.10 172.59 1p9k s GLU 22 N -3.93 3.50 0.40 4.82 2.02 -1.26 -3.39 118.70 120.87 1p9k s GLU 22 Ca 0.09 -0.18 0.27 0.00 0.02 0.00 0.00 54.97 55.17 1p9k s GLU 22 Cb 0.07 -3.11 1.41 0.00 0.10 0.00 0.00 34.13 32.60 1p9k s GLU 22 CO -0.08 0.68 1.55 1.47 0.02 0.00 0.00 175.26 178.90 1p9k n LEU 23 N 1.20 0.28 -0.02 1.80 -0.00 -1.25 0.14 117.00 119.13 1p9k n LEU 23 Ca -0.13 1.51 -0.17 0.00 -0.00 0.00 0.00 56.01 57.22 1p9k n LEU 23 Cb 0.53 -0.74 -0.06 0.00 -0.00 0.00 0.00 43.42 43.15 1p9k n LEU 23 CO 0.40 -1.66 0.28 0.00 -0.00 0.00 0.00 177.39 176.41 1p9k h ASP 25 N 0.54 -0.74 -0.55 0.00 3.32 0.77 0.34 116.42 120.10 1p9k h ASP 25 Ca -0.05 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.06 1p9k h ASP 25 Cb 1.40 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 41.08 1p9k h ASP 25 CO 0.16 -0.44 0.22 0.25 -1.72 0.00 0.00 179.24 177.71 1p9k h LEU 26 N -1.01 0.26 0.67 1.55 5.85 -1.24 -0.97 115.31 120.42 1p9k h LEU 26 Ca -0.09 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1p9k h LEU 26 Cb 0.70 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1p9k h LEU 26 CO 0.15 0.17 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.02 1p9k h LEU 27 N 0.42 -0.77 -0.24 2.25 4.07 -1.32 -2.24 115.31 117.48 1p9k h LEU 27 Ca 0.26 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.30 1p9k h LEU 27 Cb 0.27 0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.13 1p9k h LEU 27 CO -0.24 -0.38 -0.38 0.50 -1.08 0.00 0.00 178.44 176.85 1p9k h LYS 28 N -1.24 -0.38 -0.91 1.13 3.64 -0.26 0.34 116.57 118.89 1p9k h LYS 28 Ca -0.09 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1p9k h LYS 28 Cb 0.69 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 1p9k h LYS 28 CO 0.15 -0.25 0.59 1.25 -2.27 0.00 0.00 179.45 178.92 1p9k h LEU 29 N -0.39 0.85 -0.00 5.20 6.46 -1.27 -0.76 115.31 125.40 1p9k h LEU 29 Ca 0.11 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1p9k h LEU 29 Cb 0.58 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1p9k h LEU 29 CO -0.46 0.51 0.00 -0.62 -0.62 0.00 0.00 178.44 177.25 1p9k n GLU 30 N -4.52 0.05 -0.36 1.25 -0.58 -0.55 -4.91 120.64 111.01 1p9k n GLU 30 Ca 0.15 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1p9k n GLU 30 Cb 0.28 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.44 1.14 0.11 0.62 0.00 0.04 -5.02 105.19 103.51 1p9k n GLY 31 Ca 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.19 -3.27 1.61 4.06 -0.62 -3.46 115.95 114.08 1p9k h TRP 32 Ca 0.00 -0.00 -0.67 0.00 2.06 0.00 0.00 58.89 60.27 1p9k h TRP 32 Cb 0.10 0.06 -0.15 0.00 -1.00 0.00 0.00 29.16 28.18 1p9k h TRP 32 CO 0.00 -0.12 -0.61 0.45 -3.56 0.00 0.00 178.44 174.60 1p9k s SER 33 N -4.61 5.31 0.15 -3.49 0.15 -1.26 -4.98 113.70 104.98 1p9k s SER 33 Ca -0.03 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 1p9k s SER 33 Cb 0.00 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1p9k s SER 33 CO 0.09 0.35 1.35 -0.33 1.20 0.00 0.00 173.24 175.90 1p9k h GLU 34 N 5.37 0.32 0.00 5.44 5.08 -1.93 -3.39 114.58 125.47 1p9k h GLU 34 Ca -0.49 -0.33 -0.32 0.00 -1.00 0.00 0.00 59.36 57.22 1p9k h GLU 34 Cb 1.19 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1p9k h GLU 34 CO 0.56 1.02 -2.09 -1.13 -1.00 0.00 0.00 179.01 176.38 1p9k n SER 35 N -3.72 1.61 0.00 1.42 3.41 -1.26 -5.04 113.62 110.04 1p9k n SER 35 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1p9k n SER 35 Cb 0.81 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.93 1.82 0.00 5.00 0.00 -1.26 -4.85 105.19 107.82 1p9k n GLY 36 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 0.79 -0.79 4.61 0.00 -1.26 -3.52 120.51 120.23 1p9k n ALA 37 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 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 -0.06 0.00 0.00 0.00 -0.06 -1.26 -3.04 117.38 112.96 1p9k n GLN 38 Ca 0.00 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1p9k n GLN 38 Cb 0.14 -1.10 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 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 -0.83 2.20 -1.99 1.69 0.00 -1.26 -4.79 120.51 115.53 1p9k n ALA 39 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 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 -0.18 -1.43 0.21 0.00 5.02 -1.17 -4.83 118.16 115.78 1p9k n LYS 40 Ca 0.00 1.04 0.15 0.00 -2.02 0.00 0.00 58.31 57.48 1p9k n LYS 40 Cb 0.10 -5.48 0.76 0.00 -0.02 0.00 0.00 35.03 30.38 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 -1.85 -1.79 117.51 115.73 1p9k h ILE 41 Ca -0.42 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1p9k h ILE 41 Cb 1.29 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1p9k h ILE 41 CO 0.55 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1p9k n ALA 42 N -1.87 -0.01 -0.16 1.87 0.00 -1.23 -2.03 120.51 117.08 1p9k n ALA 42 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.59 1p9k n ALA 42 Cb 0.07 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.06 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 0.76 0.00 0.00 1.08 -1.89 -2.78 117.51 114.69 1p9k h ILE 43 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1p9k h ILE 43 Cb 0.00 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1p9k h ILE 43 CO 0.00 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 1p9k n ALA 44 N -2.54 -0.37 -0.24 1.87 0.00 -0.67 -2.31 120.51 116.25 1p9k n ALA 44 Ca 0.15 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.80 1p9k n ALA 44 Cb 0.58 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.67 -0.05 0.00 0.00 0.00 -0.86 -0.61 120.64 117.46 1p9k n GLU 45 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 57.16 58.19 1p9k n GLU 45 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.62 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 -1.22 -2.71 0.05 8.31 0.00 -1.07 -2.23 105.19 106.33 1p9k n GLY 46 Ca 0.26 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.48 0.02 0.00 1.61 10.64 0.22 -3.46 117.38 124.93 1p9k n GLN 47 Ca 0.00 0.32 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1p9k n GLN 47 Cb 0.00 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 27.49 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 -1.46 0.00 -3.58 -0.39 0.31 -0.44 -4.85 118.33 107.93 1p9k n VAL 48 Ca -0.00 0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.42 1p9k n VAL 48 Cb 0.33 -0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.47 0.02 5.55 -0.14 -1.02 -4.85 119.74 119.76 1p9k s LYS 49 Ca 0.00 0.98 0.08 0.00 -1.36 0.00 0.00 55.97 55.67 1p9k s LYS 49 Cb 0.00 0.38 -0.03 0.00 -1.68 0.00 0.00 37.83 36.50 1p9k s LYS 49 CO 0.00 -0.13 -0.24 0.08 -0.76 0.00 0.00 175.35 174.30 1p9k s VAL 50 N 2.08 2.26 -0.88 3.17 1.01 -0.78 -0.18 120.40 127.08 1p9k s VAL 50 Ca -0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.42 1p9k s VAL 50 Cb -0.07 -1.86 -0.21 0.00 0.00 0.00 0.00 36.38 34.25 1p9k s VAL 50 CO -0.18 0.45 2.53 -0.67 0.00 0.00 0.00 175.10 177.23 1p9k n ASP 51 N 1.99 0.50 -0.01 3.32 2.03 0.12 0.18 116.55 124.68 1p9k n ASP 51 Ca -0.17 -0.19 -0.00 0.00 0.52 0.00 0.00 54.79 54.95 1p9k n ASP 51 Cb 0.52 -1.04 -0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p9k n GLY 52 N 6.25 0.46 2.55 0.27 0.00 -1.26 -4.78 105.19 108.68 1p9k n GLY 52 Ca 0.59 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.93 0.23 -0.99 4.61 0.00 0.49 -5.01 121.76 119.16 1p9k s ALA 53 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 51.96 50.21 1p9k s ALA 53 Cb 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.20 1p9k s ALA 53 CO 0.00 -2.07 2.76 1.55 0.00 0.00 0.00 175.76 178.00 1p9k n VAL 54 N 3.18 4.29 -3.02 0.00 3.14 -1.25 -1.87 118.33 122.81 1p9k n VAL 54 Ca 0.23 -3.28 -0.20 0.00 -2.96 0.00 0.00 64.34 58.13 1p9k n VAL 54 Cb 0.49 -2.05 0.07 0.00 -1.06 0.00 0.00 33.84 31.29 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 -0.36 2.20 -0.21 1.45 0.41 -1.26 -4.96 118.70 115.98 1p9k s GLU 55 Ca 0.60 -1.68 0.20 0.00 -0.41 0.00 0.00 54.97 53.68 1p9k s GLU 55 Cb 0.25 -2.62 0.48 0.00 -1.78 0.00 0.00 34.13 30.46 1p9k s GLU 55 CO -0.11 -0.97 1.15 0.25 -0.49 0.00 0.00 175.26 175.09 1p9k n THR 56 N -2.32 1.32 -2.20 3.63 -2.24 -1.26 -2.12 114.28 109.08 1p9k n THR 56 Ca 0.17 -2.78 -0.26 0.00 -2.27 0.00 0.00 64.05 58.90 1p9k n THR 56 Cb 0.62 0.63 0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1p9k n THR 56 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p9k s ARG 57 N -2.89 2.03 -0.03 -0.78 1.81 -1.26 -4.63 118.95 113.19 1p9k s ARG 57 Ca 0.34 -0.33 -0.23 0.00 -1.72 0.00 0.00 55.73 53.80 1p9k s ARG 57 Cb 0.36 -2.15 -0.23 0.00 -0.45 0.00 0.00 34.95 32.47 1p9k s ARG 57 CO -0.06 -1.36 1.06 0.87 -0.68 0.00 0.00 175.30 175.14 1p9k h LYS 58 N -0.69 0.26 -6.18 3.54 1.57 -1.96 -3.45 116.57 109.66 1p9k h LYS 58 Ca -0.44 -0.26 -0.69 0.00 -1.87 0.00 0.00 60.65 57.39 1p9k h LYS 58 Cb 1.31 0.07 -0.27 0.00 0.08 0.00 0.00 32.23 33.42 1p9k h LYS 58 CO 0.57 0.97 -0.82 -0.98 -0.57 0.00 0.00 179.45 178.62 1p9k s ARG 59 N -3.20 2.55 -0.25 3.15 1.70 -1.26 -3.93 118.95 117.71 1p9k s ARG 59 Ca -0.15 -0.79 -0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1p9k s ARG 59 Cb 0.02 -2.30 0.03 0.00 -0.57 0.00 0.00 34.95 32.13 1p9k s ARG 59 CO 0.77 0.50 -0.06 0.00 -1.08 0.00 0.00 175.30 175.43 1p9k s LYS 61 N 1.32 3.69 0.04 0.00 1.02 -1.26 -3.70 119.74 120.86 1p9k s LYS 61 Ca 0.00 -1.68 0.03 0.00 0.02 0.00 0.00 55.97 54.35 1p9k s LYS 61 Cb -0.17 -5.46 -0.02 0.00 -0.52 0.00 0.00 37.83 31.67 1p9k s LYS 61 CO -0.05 -2.49 -0.10 0.42 -0.92 0.00 0.00 175.35 172.21 1p9k s ILE 62 N 5.37 0.77 0.33 2.17 1.01 -1.26 -4.99 121.20 124.60 1p9k s ILE 62 Ca 0.55 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1p9k s ILE 62 Cb 0.02 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1p9k s ILE 62 CO 0.05 -0.21 0.63 0.68 0.00 0.00 0.00 174.94 176.09 1p9k s VAL 63 N -1.10 0.00 0.00 2.92 -7.23 -1.26 -3.42 120.40 110.30 1p9k s VAL 63 Ca -0.04 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1p9k s VAL 63 Cb -0.09 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.29 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 -0.50 0.00 -2.62 1.32 0.00 -1.26 -4.35 120.51 113.10 1p9k n ALA 64 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 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 3.15 3.38 0.00 0.00 -1.23 -3.10 105.19 107.39 1p9k n GLY 65 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 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 2.99 1.42 0.21 1.61 -1.52 0.34 -4.92 119.66 119.78 1p9k s GLN 66 Ca 0.49 -1.48 0.09 0.00 -1.95 0.00 0.00 55.36 52.51 1p9k s GLN 66 Cb 0.03 -1.61 -0.04 0.00 -0.22 0.00 0.00 33.01 31.17 1p9k s GLN 66 CO 0.03 0.34 -0.08 0.99 -0.25 0.00 0.00 175.29 176.32 1p9k s THR 67 N -1.87 3.20 0.05 -0.19 2.01 -1.26 0.11 115.64 117.69 1p9k s THR 67 Ca 0.19 -1.78 0.04 0.00 0.31 0.00 0.00 61.69 60.45 1p9k s THR 67 Cb -0.07 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1p9k s THR 67 CO 0.09 -0.20 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.01 1p9k s VAL 68 N -1.92 0.85 -0.04 3.82 1.01 0.59 0.14 120.40 124.84 1p9k s VAL 68 Ca 0.27 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1p9k s VAL 68 Cb -0.08 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1p9k s VAL 68 CO 0.16 -0.24 0.11 -0.94 0.00 0.00 0.00 175.10 174.19 1p9k s SER 69 N -1.52 -0.12 -0.17 3.32 1.04 0.75 -1.89 113.70 115.11 1p9k s SER 69 Ca -0.05 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.54 1p9k s SER 69 Cb -0.09 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1p9k s SER 69 CO 0.01 -0.04 0.38 0.12 0.98 0.00 0.00 173.24 174.69 1p9k s PHE 70 N 0.07 -0.64 0.00 5.02 5.36 -0.32 -2.43 117.98 125.05 1p9k s PHE 70 Ca -0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1p9k s PHE 70 Cb -0.01 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1p9k s PHE 70 CO 0.00 -0.40 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1p9k n ALA 71 N 4.89 0.00 -0.09 11.12 0.00 -1.26 0.78 120.51 135.95 1p9k n ALA 71 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 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 0.48 3.51 0.00 0.00 -1.26 -4.99 105.19 102.92 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 -0.48 2.94 -0.43 1.61 3.76 0.23 -4.99 115.29 117.93 1p9k s HIS 73 Ca 0.00 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.83 1p9k s HIS 73 Cb 0.00 -3.76 0.11 0.00 1.11 0.00 0.00 32.58 30.04 1p9k s HIS 73 CO 0.00 -1.13 0.15 -1.12 -0.85 0.00 0.00 174.74 171.79 1p9k s SER 74 N 2.55 4.58 0.18 1.40 0.01 -1.26 -1.17 113.70 119.99 1p9k s SER 74 Ca 0.25 -2.56 0.10 0.00 1.31 0.00 0.00 55.95 55.05 1p9k s SER 74 Cb -0.14 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1p9k s SER 74 CO 0.18 -0.31 -0.20 -0.69 0.41 0.00 0.00 173.24 172.63 1p9k s VAL 75 N 0.34 2.02 0.34 3.43 1.01 -0.79 -4.87 120.40 121.88 1p9k s VAL 75 Ca 0.14 -1.99 0.08 0.00 0.00 0.00 0.00 61.98 60.21 1p9k s VAL 75 Cb -0.22 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1p9k s VAL 75 CO -0.04 -0.27 0.10 -1.10 0.00 0.00 0.00 175.10 173.79 1p9k s GLN 76 N -2.82 2.26 0.02 2.72 1.11 -0.55 -0.30 119.66 122.10 1p9k s GLN 76 Ca 0.18 -1.63 0.00 0.00 0.01 0.00 0.00 55.36 53.93 1p9k s GLN 76 Cb -0.06 -2.08 -0.02 0.00 -1.01 0.00 0.00 33.01 29.84 1p9k s GLN 76 CO 0.08 0.12 -0.03 0.08 0.01 0.00 0.00 175.29 175.54 1p9k s VAL 77 N -2.46 0.14 0.25 1.09 1.01 0.31 0.12 120.40 120.86 1p9k s VAL 77 Ca 0.37 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1p9k s VAL 77 Cb -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1p9k s VAL 77 CO 0.21 -0.52 -0.02 0.68 0.00 0.00 0.00 175.10 175.45 1p9k s VAL 78 N -1.59 1.25 0.00 2.92 -7.23 0.42 -0.50 120.40 115.66 1p9k s VAL 78 Ca -0.14 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1p9k s VAL 78 Cb -0.09 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1p9k s VAL 78 CO -0.01 -0.30 0.45 0.00 -0.31 0.00 0.00 175.10 174.92