#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 2.09 -2.40 1.61 2.88 -1.26 -4.97 113.62 111.58 1p9k n SER 2 Ca 0.00 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.69 1p9k n SER 2 Cb 0.00 -0.83 0.02 0.00 -0.75 0.00 0.00 64.21 62.66 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 -3.54 0.29 -2.51 -1.46 0.00 -1.26 -4.82 117.12 103.82 1p9k n MET 3 Ca -0.34 -0.43 0.00 0.00 0.00 0.00 0.00 57.70 56.94 1p9k n MET 3 Cb 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 33.22 34.09 1p9k n MET 3 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1p9k n ILE 4 N -1.82 -1.25 -3.44 2.02 3.06 -1.26 -4.89 119.36 111.78 1p9k n ILE 4 Ca 0.03 0.24 -0.43 0.00 -2.50 0.00 0.00 62.75 60.08 1p9k n ILE 4 Cb 0.10 -2.18 -0.09 0.00 0.54 0.00 0.00 39.64 38.02 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 -0.47 3.25 -0.05 9.51 3.76 -1.26 -4.81 115.29 125.22 1p9k s HIS 5 Ca 0.00 -0.89 0.17 0.00 -0.15 0.00 0.00 55.06 54.19 1p9k s HIS 5 Cb 0.00 -2.95 0.31 0.00 1.11 0.00 0.00 32.58 31.05 1p9k s HIS 5 CO 0.00 -0.74 1.13 -2.13 -0.85 0.00 0.00 174.74 172.16 1p9k n ARG 6 N 5.15 0.25 -4.56 1.40 0.00 -1.26 -5.08 116.66 112.57 1p9k n ARG 6 Ca -0.12 -1.81 -0.33 0.00 -0.00 0.00 0.00 57.85 55.59 1p9k n ARG 6 Cb 0.45 0.01 -0.16 0.00 0.00 0.00 0.00 32.46 32.75 1p9k n ARG 6 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1p9k s MET 7 N -0.38 3.07 0.43 -0.14 1.00 -1.26 -5.13 119.30 116.90 1p9k s MET 7 Ca 0.22 -0.82 -0.02 0.00 0.00 0.00 0.00 55.69 55.07 1p9k s MET 7 Cb 0.27 -2.51 -0.02 0.00 0.00 0.00 0.00 34.83 32.56 1p9k s MET 7 CO -0.10 -0.03 0.68 -1.54 0.00 0.00 0.00 175.02 174.02 1p9k s SER 8 N 0.88 6.13 0.00 3.03 1.04 -1.26 -4.99 113.70 118.54 1p9k s SER 8 Ca -0.05 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1p9k s SER 8 Cb -0.15 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1p9k s SER 8 CO -0.03 -0.53 0.00 -3.20 0.98 0.00 0.00 173.24 170.46 1p9k n ASN 9 N -2.06 0.00 -4.67 7.02 5.15 -1.26 -5.09 115.26 114.35 1p9k n ASN 9 Ca -0.01 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.54 1p9k n ASN 9 Cb 0.56 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.79 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1p9k s MET 10 N -1.00 4.24 -0.14 1.20 -1.94 -1.26 -5.01 119.30 115.39 1p9k s MET 10 Ca 0.00 1.89 -0.08 0.00 -1.71 0.00 0.00 55.69 55.79 1p9k s MET 10 Cb 0.00 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 33.05 1p9k s MET 10 CO 0.00 -0.68 0.14 0.00 -0.01 0.00 0.00 175.02 174.47 1p9k s ALA 11 N 3.22 3.82 -0.05 3.03 0.00 -1.26 -5.04 121.76 125.48 1p9k s ALA 11 Ca 0.62 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1p9k s ALA 11 Cb -0.28 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 1p9k s ALA 11 CO 0.23 0.48 -0.19 0.95 0.00 0.00 0.00 175.76 177.23 1p9k s THR 12 N -0.62 1.58 -0.65 0.00 -4.23 -1.26 -0.99 115.64 109.47 1p9k s THR 12 Ca 0.13 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 59.70 1p9k s THR 12 Cb -0.12 -1.35 0.17 0.00 1.34 0.00 0.00 72.50 72.54 1p9k s THR 12 CO 0.02 0.45 0.59 0.12 -0.54 0.00 0.00 174.62 175.27 1p9k s PHE 13 N -0.00 3.48 -0.36 3.99 2.19 0.10 -4.90 117.98 122.48 1p9k s PHE 13 Ca -0.04 -1.68 -0.29 0.00 0.33 0.00 0.00 56.93 55.25 1p9k s PHE 13 Cb -0.12 -3.76 -0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1p9k s PHE 13 CO 0.03 -1.00 1.50 0.45 1.83 0.00 0.00 175.22 178.03 1p9k s SER 14 N 2.82 6.30 0.05 6.13 0.15 -1.26 -1.07 113.70 126.82 1p9k s SER 14 Ca 0.10 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1p9k s SER 14 Cb -0.21 -2.54 -0.26 0.00 -1.71 0.00 0.00 66.02 61.30 1p9k s SER 14 CO -0.02 -1.42 1.03 -0.07 1.20 0.00 0.00 173.24 173.95 1p9k h LEU 15 N 12.26 0.28 0.00 3.45 3.38 -0.54 -3.48 115.31 130.66 1p9k h LEU 15 Ca -0.29 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1p9k h LEU 15 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1p9k h LEU 15 CO 1.06 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.48 1p9k n GLY 16 N 1.54 1.94 2.66 0.83 0.00 -1.26 -4.33 105.19 106.58 1p9k n GLY 16 Ca -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.26 -3.88 1.61 5.02 -1.26 -4.85 118.16 115.06 1p9k n LYS 17 Ca 0.00 -0.81 -0.22 0.00 -2.02 0.00 0.00 58.31 55.26 1p9k n LYS 17 Cb 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.90 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 0.05 2.76 0.24 2.13 3.76 -1.26 -5.03 115.29 117.93 1p9k s HIS 18 Ca 0.08 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1p9k s HIS 18 Cb 0.14 -1.86 0.30 0.00 1.11 0.00 0.00 32.58 32.27 1p9k s HIS 18 CO -0.06 0.16 1.87 -1.00 -0.85 0.00 0.00 174.74 174.86 1p9k h PRO 19 N 1.31 1.02 0.00 8.40 0.13 -1.98 -3.49 132.00 137.40 1p9k h PRO 19 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1p9k h PRO 19 Cb 1.26 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1p9k h PRO 19 CO 0.61 0.67 0.00 -2.39 -0.23 0.00 0.00 178.00 176.66 1p9k n HIS 20 N -4.57 0.00 -3.97 1.56 1.44 -1.26 -4.63 115.22 103.78 1p9k n HIS 20 Ca 0.12 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.74 1p9k n HIS 20 Cb 0.13 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.15 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 0.16 0.07 0.61 -7.23 -1.23 -4.99 120.40 104.79 1p9k s VAL 21 Ca 0.00 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.71 1p9k s VAL 21 Cb 0.00 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1p9k s VAL 21 CO 0.00 -0.73 0.45 -1.61 -0.31 0.00 0.00 175.10 172.90 1p9k s GLU 22 N -3.13 3.90 0.37 4.82 2.02 -1.26 -3.42 118.70 122.00 1p9k s GLU 22 Ca -0.00 0.38 0.21 0.00 0.02 0.00 0.00 54.97 55.57 1p9k s GLU 22 Cb 0.02 -3.08 1.34 0.00 0.10 0.00 0.00 34.13 32.51 1p9k s GLU 22 CO -0.07 0.59 1.58 1.37 0.02 0.00 0.00 175.26 178.75 1p9k h LEU 23 N 4.08 0.32 -0.55 1.80 -0.00 -1.87 1.28 115.31 120.36 1p9k h LEU 23 Ca -0.50 0.26 -0.11 0.00 -0.00 0.00 0.00 57.88 57.53 1p9k h LEU 23 Cb 1.20 0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 42.11 1p9k h LEU 23 CO 0.64 -0.43 -0.09 0.00 -0.00 0.00 0.00 178.44 178.56 1p9k h ASP 25 N 0.91 -0.61 -0.34 0.00 5.19 0.12 0.16 116.42 121.85 1p9k h ASP 25 Ca 0.14 -0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1p9k h ASP 25 Cb 0.66 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 1p9k h ASP 25 CO 0.05 -0.27 0.12 0.25 -3.12 0.00 0.00 179.24 176.27 1p9k h LEU 26 N -0.98 0.13 0.65 1.55 5.85 -1.21 -1.55 115.31 119.74 1p9k h LEU 26 Ca -0.07 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1p9k h LEU 26 Cb 0.63 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.69 1p9k h LEU 26 CO 0.12 0.11 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.95 1p9k h LEU 27 N 0.26 -0.74 0.04 2.25 4.07 -1.21 -1.46 115.31 118.53 1p9k h LEU 27 Ca 0.15 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.12 1p9k h LEU 27 Cb 0.12 0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.00 1p9k h LEU 27 CO -0.15 -0.44 -0.50 0.50 -1.08 0.00 0.00 178.44 176.77 1p9k h LYS 28 N -1.00 -0.65 -0.67 1.13 3.64 -0.90 0.59 116.57 118.71 1p9k h LYS 28 Ca -0.09 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1p9k h LYS 28 Cb 0.70 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1p9k h LYS 28 CO 0.15 -0.43 0.37 -0.07 -2.27 0.00 0.00 179.45 177.20 1p9k h LEU 29 N -0.67 0.55 -0.90 5.20 3.38 -1.36 0.12 115.31 121.63 1p9k h LEU 29 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1p9k h LEU 29 Cb 0.72 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1p9k h LEU 29 CO -0.33 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1p9k n GLU 30 N -4.78 0.20 -0.42 1.13 -0.58 -0.55 -4.86 120.64 110.77 1p9k n GLU 30 Ca 0.08 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1p9k n GLU 30 Cb 0.17 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 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 -0.26 0.96 0.19 0.62 0.00 0.03 -5.02 105.19 101.71 1p9k n GLY 31 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.42 -2.97 1.61 4.06 -0.09 -3.46 115.95 114.69 1p9k h TRP 32 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 1p9k h TRP 32 Cb 0.09 0.14 -0.09 0.00 -1.00 0.00 0.00 29.16 28.30 1p9k h TRP 32 CO 0.00 -0.26 -0.60 0.45 -3.56 0.00 0.00 178.44 174.47 1p9k s SER 33 N -3.77 5.36 0.23 -3.49 0.15 -1.26 -5.00 113.70 105.93 1p9k s SER 33 Ca -0.07 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1p9k s SER 33 Cb 0.01 -1.37 0.25 0.00 -1.71 0.00 0.00 66.02 63.20 1p9k s SER 33 CO 0.20 0.12 1.58 1.05 1.20 0.00 0.00 173.24 177.39 1p9k h GLU 34 N 2.87 0.42 0.00 5.44 4.11 -1.93 -3.39 114.58 122.11 1p9k h GLU 34 Ca -0.47 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 58.63 1p9k h GLU 34 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1p9k h GLU 34 CO 0.63 0.82 -1.08 -1.13 0.07 0.00 0.00 179.01 178.32 1p9k n SER 35 N -3.97 1.60 0.00 3.06 3.41 -1.26 -5.06 113.62 111.39 1p9k n SER 35 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1p9k n SER 35 Cb 0.55 -0.60 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 2.00 1.73 0.00 5.00 0.00 -1.26 -4.87 105.19 107.79 1p9k n GLY 36 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.75 -0.03 4.61 0.00 -1.26 -3.29 120.51 121.29 1p9k n ALA 37 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 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 -1.68 117.38 114.38 1p9k n GLN 38 Ca 0.00 0.62 0.00 0.00 -2.00 0.00 0.00 57.00 55.62 1p9k n GLN 38 Cb 0.44 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 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 -2.23 2.04 -1.21 1.69 0.00 -1.26 -4.75 120.51 114.80 1p9k n ALA 39 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1p9k n ALA 39 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.14 -0.90 0.17 0.00 4.01 -0.67 -4.86 118.16 115.77 1p9k n LYS 40 Ca 0.00 0.67 0.17 0.00 -0.51 0.00 0.00 58.31 58.64 1p9k n LYS 40 Cb 0.08 -4.59 0.79 0.00 -0.51 0.00 0.00 35.03 30.81 1p9k n LYS 40 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1p9k h ILE 41 N 0.00 0.53 0.00 -0.18 1.08 -1.81 -1.25 117.51 115.88 1p9k h ILE 41 Ca -0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1p9k h ILE 41 Cb 0.67 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1p9k h ILE 41 CO 0.21 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1p9k n ALA 42 N -2.39 -0.01 -0.30 1.87 0.00 -1.21 -1.89 120.51 116.58 1p9k n ALA 42 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1p9k n ALA 42 Cb 0.37 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.13 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 0.48 0.47 0.00 1.08 -1.88 -2.16 117.51 115.49 1p9k h ILE 43 Ca 0.00 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1p9k h ILE 43 Cb 0.00 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1p9k h ILE 43 CO 0.00 0.07 -0.29 0.00 -0.69 0.00 0.00 178.15 177.24 1p9k h ALA 44 N 1.71 -1.12 -0.80 1.87 0.00 -1.37 -2.52 119.26 117.02 1p9k h ALA 44 Ca 0.55 -0.15 0.32 0.00 0.00 0.00 0.00 54.91 55.64 1p9k h ALA 44 Cb 1.05 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1p9k h ALA 44 CO -0.53 -1.10 0.38 -1.91 0.00 0.00 0.00 179.25 176.10 1p9k n GLU 45 N -4.15 -0.05 0.00 0.00 0.00 -0.79 -0.79 120.64 114.86 1p9k n GLU 45 Ca -0.09 1.11 0.00 0.00 0.00 0.00 0.00 57.16 58.18 1p9k n GLU 45 Cb 0.30 -1.97 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 -1.23 -2.69 0.09 8.31 0.00 -0.98 -2.48 105.19 106.20 1p9k n GLY 46 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1p9k n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p9k n GLN 47 N -1.24 0.03 0.00 1.61 6.02 0.03 -3.27 117.38 120.56 1p9k n GLN 47 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1p9k n GLN 47 Cb 0.00 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.24 1p9k n GLN 47 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1p9k n VAL 48 N -1.56 0.00 -3.61 5.09 0.31 -0.23 -4.86 118.33 113.47 1p9k n VAL 48 Ca -0.00 0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.36 1p9k n VAL 48 Cb 0.43 -0.38 -0.06 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 -0.02 0.59 0.04 5.55 -0.14 -0.99 -4.84 119.74 119.93 1p9k s LYS 49 Ca 0.00 0.42 0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1p9k s LYS 49 Cb 0.00 0.28 -0.02 0.00 -1.68 0.00 0.00 37.83 36.41 1p9k s LYS 49 CO 0.00 -0.13 -0.13 0.08 -0.76 0.00 0.00 175.35 174.41 1p9k s VAL 50 N -0.37 1.01 -0.96 3.17 1.01 0.46 -0.17 120.40 124.55 1p9k s VAL 50 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1p9k s VAL 50 Cb -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 36.38 35.13 1p9k s VAL 50 CO -0.02 -0.02 2.21 -0.67 0.00 0.00 0.00 175.10 176.60 1p9k n ASP 51 N 1.94 -0.80 0.00 3.32 2.03 0.26 0.41 116.55 123.71 1p9k n ASP 51 Ca -0.18 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.42 1p9k n ASP 51 Cb 0.55 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 5.77 2.08 3.17 0.27 0.00 -1.26 -4.74 105.19 110.48 1p9k n GLY 52 Ca 0.64 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.80 -0.63 -0.43 4.61 0.00 0.17 -5.12 121.76 118.55 1p9k s ALA 53 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 1p9k s ALA 53 Cb 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.08 1p9k s ALA 53 CO 0.00 -0.19 0.26 0.54 0.00 0.00 0.00 175.76 176.37 1p9k s VAL 54 N -0.70 3.83 0.00 0.00 0.11 -1.26 -0.41 120.40 121.98 1p9k s VAL 54 Ca -0.08 -1.78 0.00 0.00 -2.93 0.00 0.00 61.98 57.19 1p9k s VAL 54 Cb -0.04 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1p9k s VAL 54 CO 0.02 -0.66 0.00 -0.62 -3.33 0.00 0.00 175.10 170.51 1p9k n GLU 55 N 4.79 1.97 -1.03 1.54 -0.58 -1.25 -4.93 120.64 121.15 1p9k n GLU 55 Ca -0.07 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.63 1p9k n GLU 55 Cb 0.41 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.25 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 -0.51 0.00 -2.49 2.62 5.66 -1.26 -0.81 114.28 117.48 1p9k n THR 56 Ca 0.00 -0.08 -0.24 0.00 -3.05 0.00 0.00 64.05 60.68 1p9k n THR 56 Cb 0.00 0.42 0.04 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.01 2.61 0.09 1.09 0.52 -1.26 -4.77 118.95 117.24 1p9k s ARG 57 Ca 0.01 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1p9k s ARG 57 Cb 0.04 -2.35 -0.21 0.00 0.52 0.00 0.00 34.95 32.95 1p9k s ARG 57 CO -0.01 -0.81 1.20 0.87 0.02 0.00 0.00 175.30 176.57 1p9k h LYS 58 N -0.15 0.35 -5.64 3.54 1.79 -1.97 -3.45 116.57 111.03 1p9k h LYS 58 Ca -0.44 -0.49 -0.65 0.00 -2.18 0.00 0.00 60.65 56.89 1p9k h LYS 58 Cb 1.29 0.17 -0.17 0.00 -1.58 0.00 0.00 32.23 31.93 1p9k h LYS 58 CO 0.58 1.19 -0.62 0.50 -1.08 0.00 0.00 179.45 180.01 1p9k s ARG 59 N -2.90 3.38 -0.28 3.15 3.52 -1.26 -4.20 118.95 120.36 1p9k s ARG 59 Ca -0.05 -0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 1p9k s ARG 59 Cb 0.08 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1p9k s ARG 59 CO 0.88 0.48 0.12 0.00 -0.81 0.00 0.00 175.30 175.98 1p9k n LYS 61 N 4.97 4.06 -4.02 0.00 5.02 -1.26 -3.53 118.16 123.40 1p9k n LYS 61 Ca -0.15 -4.44 -0.12 0.00 -2.02 0.00 0.00 58.31 51.58 1p9k n LYS 61 Cb 0.51 -2.57 -0.13 0.00 -0.02 0.00 0.00 35.03 32.82 1p9k n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p9k s ILE 62 N -1.91 0.28 0.31 -0.18 1.01 -1.26 -5.04 121.20 114.42 1p9k s ILE 62 Ca 0.32 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1p9k s ILE 62 Cb -0.01 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1p9k s ILE 62 CO 0.03 -0.20 0.52 0.68 0.00 0.00 0.00 174.94 175.97 1p9k s VAL 63 N -0.78 0.00 0.00 2.92 -7.23 -1.26 -3.72 120.40 110.33 1p9k s VAL 63 Ca -0.06 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1p9k s VAL 63 Cb -0.06 -2.52 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 -0.49 0.00 -2.40 1.32 0.00 -1.26 -4.28 120.51 113.40 1p9k n ALA 64 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1p9k n ALA 64 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 3.85 3.34 0.00 0.00 -1.23 -2.99 105.19 108.16 1p9k n GLY 65 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 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 2.20 1.27 0.12 1.61 -1.52 -0.52 -4.91 119.66 117.92 1p9k s GLN 66 Ca 0.45 -1.26 0.08 0.00 -1.95 0.00 0.00 55.36 52.68 1p9k s GLN 66 Cb 0.06 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 1p9k s GLN 66 CO -0.00 0.39 -0.14 0.99 -0.25 0.00 0.00 175.29 176.28 1p9k s THR 67 N -1.11 3.07 0.05 -0.19 2.01 -1.26 0.20 115.64 118.41 1p9k s THR 67 Ca 0.10 -1.43 0.07 0.00 0.31 0.00 0.00 61.69 60.74 1p9k s THR 67 Cb -0.10 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1p9k s THR 67 CO 0.05 0.08 -0.19 0.54 -0.69 0.00 0.00 174.62 174.41 1p9k s VAL 68 N -1.22 1.56 -0.00 3.82 0.11 0.21 0.89 120.40 125.76 1p9k s VAL 68 Ca 0.20 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1p9k s VAL 68 Cb -0.11 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1p9k s VAL 68 CO 0.12 0.14 -0.01 -0.94 -3.33 0.00 0.00 175.10 171.08 1p9k s SER 69 N -1.24 0.11 -0.08 3.54 1.04 0.76 -1.79 113.70 116.04 1p9k s SER 69 Ca 0.06 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1p9k s SER 69 Cb -0.09 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.05 1p9k s SER 69 CO 0.02 -0.00 0.15 0.12 0.98 0.00 0.00 173.24 174.50 1p9k s PHE 70 N 0.11 -0.15 0.00 5.02 5.36 -0.67 -2.33 117.98 125.32 1p9k s PHE 70 Ca -0.01 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1p9k s PHE 70 Cb -0.02 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 1p9k s PHE 70 CO -0.00 -0.24 0.00 0.00 -1.46 0.00 0.00 175.22 173.52 1p9k n ALA 71 N 5.08 0.00 -0.47 11.12 0.00 -1.26 0.14 120.51 135.12 1p9k n ALA 71 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 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 -0.01 3.39 0.00 0.00 -1.26 -4.99 105.19 102.32 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 -0.06 2.98 -0.35 1.61 3.76 0.37 -5.01 115.29 118.58 1p9k s HIS 73 Ca 0.00 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.89 1p9k s HIS 73 Cb 0.00 -4.08 0.05 0.00 1.11 0.00 0.00 32.58 29.67 1p9k s HIS 73 CO 0.00 -1.36 0.13 -1.12 -0.85 0.00 0.00 174.74 171.54 1p9k s SER 74 N 3.59 5.33 0.15 1.40 0.01 -1.26 -1.66 113.70 121.25 1p9k s SER 74 Ca 0.15 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.19 1p9k s SER 74 Cb -0.21 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1p9k s SER 74 CO 0.05 -0.37 -0.14 -0.69 0.41 0.00 0.00 173.24 172.50 1p9k s VAL 75 N 1.37 1.45 0.29 3.43 1.01 -0.74 -4.72 120.40 122.49 1p9k s VAL 75 Ca -0.00 -1.88 0.09 0.00 0.00 0.00 0.00 61.98 60.18 1p9k s VAL 75 Cb -0.20 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1p9k s VAL 75 CO 0.02 -0.48 0.06 -1.10 0.00 0.00 0.00 175.10 173.59 1p9k s GLN 76 N -3.02 2.37 -0.00 2.72 1.11 -0.16 -0.62 119.66 122.06 1p9k s GLN 76 Ca 0.13 -1.43 0.06 0.00 0.01 0.00 0.00 55.36 54.13 1p9k s GLN 76 Cb -0.03 -2.20 -0.02 0.00 -1.01 0.00 0.00 33.01 29.76 1p9k s GLN 76 CO 0.04 0.29 -0.19 0.08 0.01 0.00 0.00 175.29 175.52 1p9k s VAL 77 N -2.34 1.49 0.10 1.09 1.01 0.52 0.02 120.40 122.28 1p9k s VAL 77 Ca 0.33 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1p9k s VAL 77 Cb -0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1p9k s VAL 77 CO 0.21 0.36 -0.14 0.68 0.00 0.00 0.00 175.10 176.20 1p9k s VAL 78 N -0.52 1.25 0.00 2.92 -7.23 -0.23 -1.44 120.40 115.14 1p9k s VAL 78 Ca 0.07 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1p9k s VAL 78 Cb -0.07 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1p9k s VAL 78 CO -0.00 -0.31 0.00 0.00 -0.31 0.00 0.00 175.10 174.48