#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 -0.04 -3.37 1.61 3.41 -1.26 -5.12 113.62 108.85 1p9k n SER 2 Ca 0.00 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 58.03 1p9k n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1p9k n SER 2 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1p9k s MET 3 N -1.47 1.92 0.16 4.33 1.00 -1.26 -5.11 119.30 118.87 1p9k s MET 3 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 55.69 54.21 1p9k s MET 3 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 34.83 35.35 1p9k s MET 3 CO 0.00 -0.84 0.00 -0.89 0.00 0.00 0.00 175.02 173.29 1p9k n ILE 4 N -0.50 0.26 -4.45 2.53 5.41 -1.26 -5.14 119.36 116.21 1p9k n ILE 4 Ca -0.03 0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.59 1p9k n ILE 4 Cb 0.61 -0.67 -0.10 0.00 -0.71 0.00 0.00 39.64 38.76 1p9k n ILE 4 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p9k s HIS 5 N -1.68 2.01 0.00 1.39 3.76 -1.26 -5.16 115.29 114.35 1p9k s HIS 5 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 1p9k s HIS 5 Cb 0.00 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.45 1p9k s HIS 5 CO 0.00 0.20 0.00 -2.13 -0.85 0.00 0.00 174.74 171.96 1p9k n ARG 6 N -0.66 0.16 -0.04 1.40 0.63 -1.26 -5.04 116.66 111.86 1p9k n ARG 6 Ca -0.04 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.67 1p9k n ARG 6 Cb 0.65 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.43 1p9k n ARG 6 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1p9k n MET 7 N -0.93 0.70 -3.40 -0.14 2.81 -1.26 -4.97 117.12 109.93 1p9k n MET 7 Ca 0.00 0.32 0.02 0.00 -1.81 0.00 0.00 57.70 56.23 1p9k n MET 7 Cb 0.00 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 30.78 1p9k n MET 7 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1p9k s SER 8 N -6.97 -0.59 0.00 7.83 0.15 -1.26 -5.10 113.70 107.76 1p9k s SER 8 Ca -0.26 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1p9k s SER 8 Cb 0.07 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1p9k s SER 8 CO 0.70 -0.11 0.00 -3.20 1.20 0.00 0.00 173.24 171.82 1p9k n ASN 9 N 5.01 0.00 -4.64 5.45 2.85 -1.26 -5.01 115.26 117.65 1p9k n ASN 9 Ca -0.09 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.95 1p9k n ASN 9 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.52 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 -0.87 3.84 -0.20 1.20 -1.94 -1.26 -4.93 119.30 115.15 1p9k s MET 10 Ca 0.00 1.99 -0.29 0.00 -1.71 0.00 0.00 55.69 55.67 1p9k s MET 10 Cb 0.00 -4.09 -0.03 0.00 2.01 0.00 0.00 34.83 32.72 1p9k s MET 10 CO 0.00 -1.26 1.55 0.00 -0.01 0.00 0.00 175.02 175.31 1p9k s ALA 11 N 5.27 3.38 -0.11 3.03 0.00 -1.26 -4.97 121.76 127.09 1p9k s ALA 11 Ca 0.79 0.51 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1p9k s ALA 11 Cb -0.31 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1p9k s ALA 11 CO 0.32 -1.76 -0.23 0.95 0.00 0.00 0.00 175.76 175.04 1p9k s THR 12 N 4.75 2.05 -0.56 0.00 -4.23 -1.25 0.14 115.64 116.54 1p9k s THR 12 Ca 0.68 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 1p9k s THR 12 Cb -0.25 -1.78 0.14 0.00 1.34 0.00 0.00 72.50 71.95 1p9k s THR 12 CO 0.27 0.55 0.42 0.12 -0.54 0.00 0.00 174.62 175.44 1p9k s PHE 13 N 0.50 3.49 -0.47 3.99 5.36 0.21 -4.96 117.98 126.11 1p9k s PHE 13 Ca -0.15 -2.18 -0.27 0.00 -0.96 0.00 0.00 56.93 53.37 1p9k s PHE 13 Cb -0.17 -3.44 -0.02 0.00 -0.34 0.00 0.00 43.02 39.05 1p9k s PHE 13 CO 0.05 -0.95 1.88 0.45 -1.46 0.00 0.00 175.22 175.20 1p9k s SER 14 N 1.97 5.49 0.14 6.13 0.15 -1.26 -2.00 113.70 124.31 1p9k s SER 14 Ca 0.11 0.87 -0.08 0.00 0.70 0.00 0.00 55.95 57.54 1p9k s SER 14 Cb -0.22 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.51 1p9k s SER 14 CO -0.03 -2.11 1.38 -0.07 1.20 0.00 0.00 173.24 173.61 1p9k h LEU 15 N 15.41 0.79 0.00 3.45 3.38 -1.39 -3.48 115.31 133.48 1p9k h LEU 15 Ca -0.29 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1p9k h LEU 15 Cb 1.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1p9k h LEU 15 CO 1.12 1.27 0.00 0.61 0.09 0.00 0.00 178.44 181.53 1p9k n GLY 16 N 0.57 1.90 2.67 0.83 0.00 -1.25 -4.56 105.19 105.35 1p9k n GLY 16 Ca -0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 0.38 -4.02 1.61 3.00 -1.26 -4.80 118.16 113.06 1p9k n LYS 17 Ca 0.00 -0.95 -0.21 0.00 -0.00 0.00 0.00 58.31 57.15 1p9k n LYS 17 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 35.03 34.87 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 0.07 3.22 0.38 5.64 3.76 -1.26 -5.02 115.29 122.09 1p9k s HIS 18 Ca 0.12 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 1p9k s HIS 18 Cb 0.19 -1.51 0.78 0.00 1.11 0.00 0.00 32.58 33.15 1p9k s HIS 18 CO -0.08 0.45 2.01 -1.00 -0.85 0.00 0.00 174.74 175.27 1p9k h PRO 19 N 1.34 0.67 0.00 8.40 0.13 -2.00 -3.48 132.00 137.06 1p9k h PRO 19 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1p9k h PRO 19 Cb 1.24 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1p9k h PRO 19 CO 0.60 0.44 0.00 -2.39 -0.23 0.00 0.00 178.00 176.43 1p9k n HIS 20 N -4.47 0.00 -3.98 1.56 1.44 -1.26 -4.77 115.22 103.74 1p9k n HIS 20 Ca 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.69 1p9k n HIS 20 Cb 0.14 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.64 0.09 0.07 0.61 -7.23 -1.24 -4.98 120.40 105.08 1p9k s VAL 21 Ca 0.00 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1p9k s VAL 21 Cb 0.00 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1p9k s VAL 21 CO 0.00 -0.41 0.16 -1.83 -0.31 0.00 0.00 175.10 172.71 1p9k s GLU 22 N -3.96 3.22 0.31 4.82 -1.05 -1.26 -3.99 118.70 116.79 1p9k s GLU 22 Ca 0.16 -0.54 0.04 0.00 -0.15 0.00 0.00 54.97 54.47 1p9k s GLU 22 Cb 0.04 -2.92 0.81 0.00 -0.44 0.00 0.00 34.13 31.63 1p9k s GLU 22 CO -0.02 0.59 1.58 -0.07 0.95 0.00 0.00 175.26 178.29 1p9k h LEU 23 N 3.15 -0.35 -1.38 1.83 3.38 -1.80 1.01 115.31 121.15 1p9k h LEU 23 Ca -0.46 0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1p9k h LEU 23 Cb 1.16 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 1p9k h LEU 23 CO 0.72 -0.35 0.43 0.00 0.09 0.00 0.00 178.44 179.33 1p9k h ASP 25 N 0.85 -0.35 -0.81 0.00 5.19 0.66 -1.31 116.42 120.63 1p9k h ASP 25 Ca 0.24 0.01 0.20 0.00 -0.62 0.00 0.00 57.03 56.86 1p9k h ASP 25 Cb -0.06 0.09 -0.13 0.00 0.18 0.00 0.00 39.33 39.41 1p9k h ASP 25 CO -0.06 -0.06 0.16 0.25 -3.12 0.00 0.00 179.24 176.41 1p9k h LEU 26 N -0.80 -0.09 0.21 1.55 5.85 -1.37 0.27 115.31 120.93 1p9k h LEU 26 Ca -0.04 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1p9k h LEU 26 Cb 0.32 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1p9k h LEU 26 CO 0.07 -0.13 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.87 1p9k h LEU 27 N 0.20 -0.24 -0.43 2.25 4.07 -1.43 -2.10 115.31 117.63 1p9k h LEU 27 Ca 0.48 0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.54 1p9k h LEU 27 Cb 0.90 0.06 -0.09 0.00 1.08 0.00 0.00 40.66 42.62 1p9k h LEU 27 CO -0.62 -0.11 -0.18 0.50 -1.08 0.00 0.00 178.44 176.95 1p9k h LYS 28 N -0.41 -0.09 -0.65 1.13 3.64 -1.02 0.19 116.57 119.36 1p9k h LYS 28 Ca -0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1p9k h LYS 28 Cb 0.22 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1p9k h LYS 28 CO 0.05 -0.06 0.43 1.25 -2.27 0.00 0.00 179.45 178.85 1p9k h LEU 29 N -0.09 0.51 -0.05 5.20 6.46 -0.59 0.40 115.31 127.15 1p9k h LEU 29 Ca 0.21 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1p9k h LEU 29 Cb 0.41 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1p9k h LEU 29 CO -0.49 0.32 -0.19 -0.62 -0.62 0.00 0.00 178.44 176.84 1p9k n GLU 30 N -4.48 0.16 -0.39 1.25 -0.58 0.10 -4.92 120.64 111.77 1p9k n GLU 30 Ca 0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1p9k n GLU 30 Cb 0.29 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.45 1.02 0.12 0.62 0.00 0.14 -5.02 105.19 103.51 1p9k n GLY 31 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.23 -3.33 1.61 4.06 -0.90 -3.46 115.95 113.70 1p9k h TRP 32 Ca 0.00 -0.01 -0.67 0.00 2.06 0.00 0.00 58.89 60.28 1p9k h TRP 32 Cb 0.09 0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 28.19 1p9k h TRP 32 CO 0.00 -0.14 -0.63 0.45 -3.56 0.00 0.00 178.44 174.56 1p9k s SER 33 N -4.47 5.20 0.11 -3.49 0.15 -1.26 -4.96 113.70 104.98 1p9k s SER 33 Ca -0.04 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1p9k s SER 33 Cb 0.00 -1.40 -0.18 0.00 -1.71 0.00 0.00 66.02 62.73 1p9k s SER 33 CO 0.11 0.30 1.23 -0.08 1.20 0.00 0.00 173.24 176.01 1p9k h GLU 34 N 4.52 0.27 0.00 5.44 4.57 -1.93 -3.38 114.58 124.07 1p9k h GLU 34 Ca -0.49 -0.38 -0.28 0.00 -1.18 0.00 0.00 59.36 57.03 1p9k h GLU 34 Cb 1.18 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1p9k h GLU 34 CO 0.57 1.13 -2.05 -1.13 -1.18 0.00 0.00 179.01 176.34 1p9k n SER 35 N -3.59 2.50 0.00 1.04 3.41 -1.26 -5.03 113.62 110.69 1p9k n SER 35 Ca -0.06 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1p9k n SER 35 Cb 0.93 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 2.59 2.46 0.00 5.00 0.00 -1.26 -4.76 105.19 109.21 1p9k n GLY 36 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 0.67 -0.37 4.61 0.00 -1.26 -3.30 120.51 120.27 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 -0.43 0.00 0.00 0.00 -0.06 -1.26 -2.00 117.38 113.64 1p9k n GLN 38 Ca 0.00 0.50 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 1p9k n GLN 38 Cb 0.00 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.87 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 -1.75 2.01 -1.87 1.69 0.00 -1.26 -4.77 120.51 114.56 1p9k n ALA 39 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 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 -0.15 -1.50 0.33 0.00 5.02 -0.85 -4.82 118.16 116.18 1p9k n LYS 40 Ca 0.00 1.15 0.22 0.00 -2.02 0.00 0.00 58.31 57.66 1p9k n LYS 40 Cb 0.08 -5.61 1.17 0.00 -0.02 0.00 0.00 35.03 30.64 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 -1.80 -1.20 117.51 116.36 1p9k h ILE 41 Ca -0.44 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1p9k h ILE 41 Cb 1.35 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1p9k h ILE 41 CO 0.60 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1p9k n ALA 42 N -2.06 -0.04 -0.27 1.87 0.00 -1.21 -1.87 120.51 116.93 1p9k n ALA 42 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1p9k n ALA 42 Cb 0.07 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.75 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 0.41 0.13 0.00 1.08 -1.82 -2.02 117.51 115.29 1p9k h ILE 43 Ca 0.00 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1p9k h ILE 43 Cb 0.00 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 1p9k h ILE 43 CO 0.00 0.04 -0.12 0.00 -0.69 0.00 0.00 178.15 177.39 1p9k h ALA 44 N 1.70 -0.86 -0.42 1.87 0.00 -1.37 -2.62 119.26 117.56 1p9k h ALA 44 Ca 0.48 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1p9k h ALA 44 Cb 0.89 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1p9k h ALA 44 CO -0.59 -0.87 -0.03 -1.91 0.00 0.00 0.00 179.25 175.85 1p9k n GLU 45 N -3.00 -0.03 0.00 0.00 4.07 -0.78 -0.03 120.64 120.87 1p9k n GLU 45 Ca -0.03 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1p9k n GLU 45 Cb 0.11 -0.98 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 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 -1.23 -2.71 0.21 8.31 0.00 -1.01 -2.39 105.19 106.37 1p9k n GLY 46 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1p9k n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1p9k h GLN 47 N 0.00 0.00 0.00 1.61 3.07 0.13 -3.25 115.11 116.66 1p9k h GLN 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1p9k h GLN 47 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1p9k h GLN 47 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 178.83 179.20 1p9k n VAL 48 N -2.06 0.00 -3.58 1.86 0.31 -0.32 -4.82 118.33 109.72 1p9k n VAL 48 Ca -0.00 0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1p9k n VAL 48 Cb 0.64 -0.25 -0.04 0.00 -0.91 0.00 0.00 33.84 33.28 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 0.50 0.23 5.55 -0.14 -0.94 -4.79 119.74 120.15 1p9k s LYS 49 Ca 0.00 1.25 0.11 0.00 -1.36 0.00 0.00 55.97 55.98 1p9k s LYS 49 Cb 0.00 0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 36.85 1p9k s LYS 49 CO 0.00 -0.17 -0.19 0.08 -0.76 0.00 0.00 175.35 174.31 1p9k s VAL 50 N 2.76 2.56 -0.91 3.17 1.01 -0.86 0.21 120.40 128.35 1p9k s VAL 50 Ca -0.05 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.49 1p9k s VAL 50 Cb -0.10 -2.29 -0.20 0.00 0.00 0.00 0.00 36.38 33.79 1p9k s VAL 50 CO -0.19 -0.25 2.64 -0.90 0.00 0.00 0.00 175.10 176.40 1p9k n ASP 51 N -0.20 0.61 -1.95 3.32 5.75 0.24 0.12 116.55 124.44 1p9k n ASP 51 Ca -0.09 0.03 -0.21 0.00 -0.01 0.00 0.00 54.79 54.51 1p9k n ASP 51 Cb 0.58 -1.03 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p9k n GLY 52 N 6.39 0.90 2.45 6.12 0.00 -1.26 -4.91 105.19 114.88 1p9k n GLY 52 Ca 0.61 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.11 1.42 -1.56 4.61 0.00 0.33 -5.01 120.51 120.19 1p9k n ALA 53 Ca -0.22 -2.61 -0.36 0.00 0.00 0.00 0.00 53.44 50.25 1p9k n ALA 53 Cb 0.68 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 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 2.38 4.46 -2.29 0.00 3.14 -1.25 -2.02 118.33 122.74 1p9k n VAL 54 Ca 0.23 -3.18 0.00 0.00 -2.96 0.00 0.00 64.34 58.44 1p9k n VAL 54 Cb 0.52 -2.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.05 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 2.51 2.48 -2.80 1.45 1.02 -1.26 -4.94 120.64 119.10 1p9k n GLU 55 Ca 0.66 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1p9k n GLU 55 Cb 0.34 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.27 0.49 -2.98 2.62 5.66 -1.26 -1.03 114.28 117.52 1p9k n THR 56 Ca 0.00 -3.08 -0.18 0.00 -3.05 0.00 0.00 64.05 57.74 1p9k n THR 56 Cb 0.00 0.55 0.03 0.00 -1.55 0.00 0.00 70.33 69.36 1p9k n THR 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p9k s ARG 57 N -2.21 2.62 -0.08 1.09 3.03 -1.26 -4.56 118.95 117.58 1p9k s ARG 57 Ca 0.29 -1.32 -0.26 0.00 2.03 0.00 0.00 55.73 56.47 1p9k s ARG 57 Cb 0.41 -2.69 -0.25 0.00 -1.03 0.00 0.00 34.95 31.39 1p9k s ARG 57 CO -0.02 -0.51 0.93 0.87 -1.13 0.00 0.00 175.30 175.45 1p9k h LYS 58 N 0.43 0.10 -6.62 3.89 1.57 -1.89 -3.37 116.57 110.68 1p9k h LYS 58 Ca -0.37 -0.13 -0.68 0.00 -1.87 0.00 0.00 60.65 57.60 1p9k h LYS 58 Cb 1.28 0.04 -0.28 0.00 0.08 0.00 0.00 32.23 33.36 1p9k h LYS 58 CO 0.44 0.95 -0.88 1.03 -0.57 0.00 0.00 179.45 180.42 1p9k s ARG 59 N -2.80 1.86 -0.16 3.15 3.00 -1.26 -3.67 118.95 119.07 1p9k s ARG 59 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 55.73 54.54 1p9k s ARG 59 Cb -0.01 -1.95 0.03 0.00 0.00 0.00 0.00 34.95 33.02 1p9k s ARG 59 CO 0.72 0.52 -0.13 0.00 0.00 0.00 0.00 175.30 176.41 1p9k s LYS 61 N 1.45 2.78 0.01 0.00 3.01 -1.26 -4.36 119.74 121.37 1p9k s LYS 61 Ca 0.03 0.37 0.01 0.00 -1.01 0.00 0.00 55.97 55.37 1p9k s LYS 61 Cb -0.14 -4.34 -0.01 0.00 -1.01 0.00 0.00 37.83 32.33 1p9k s LYS 61 CO -0.10 -2.59 -0.03 0.42 0.51 0.00 0.00 175.35 173.56 1p9k s ILE 62 N 8.20 0.20 0.30 2.17 1.09 -1.26 -4.99 121.20 126.90 1p9k s ILE 62 Ca 0.59 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.81 1p9k s ILE 62 Cb -0.11 -0.21 -0.01 0.00 -1.06 0.00 0.00 42.46 41.06 1p9k s ILE 62 CO 0.19 -0.07 0.37 0.68 -0.10 0.00 0.00 174.94 176.01 1p9k s VAL 63 N -0.39 0.00 0.00 2.92 -7.23 -1.26 -3.67 120.40 110.77 1p9k s VAL 63 Ca -0.03 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1p9k s VAL 63 Cb -0.03 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.39 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 -3.52 1.32 0.00 -1.26 -4.36 120.51 112.20 1p9k n ALA 64 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 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 -0.30 2.89 0.34 0.00 0.00 -1.21 -2.70 107.32 106.34 1p9k s GLY 65 Ca 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 44.72 41.19 1p9k s GLY 65 CO 0.00 1.22 -0.02 1.20 0.00 0.00 0.00 173.10 175.49 1p9k s GLN 66 N -0.71 1.76 -0.02 2.90 -1.52 -0.50 -4.89 119.66 116.68 1p9k s GLN 66 Ca 0.24 -1.95 0.07 0.00 -1.95 0.00 0.00 55.36 51.77 1p9k s GLN 66 Cb -0.11 -1.38 -0.02 0.00 -0.22 0.00 0.00 33.01 31.27 1p9k s GLN 66 CO -0.09 -0.01 -0.22 0.99 -0.25 0.00 0.00 175.29 175.71 1p9k s THR 67 N -2.88 2.38 0.07 -0.19 2.01 -1.26 0.12 115.64 115.89 1p9k s THR 67 Ca 0.33 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1p9k s THR 67 Cb 0.06 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1p9k s THR 67 CO 0.16 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.72 1p9k s VAL 68 N -0.69 1.82 -0.01 3.82 1.01 0.14 0.81 120.40 127.30 1p9k s VAL 68 Ca 0.11 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1p9k s VAL 68 Cb -0.10 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1p9k s VAL 68 CO 0.00 0.16 0.01 -0.94 0.00 0.00 0.00 175.10 174.33 1p9k s SER 69 N -1.45 0.03 -0.04 3.32 1.04 0.13 -1.22 113.70 115.51 1p9k s SER 69 Ca 0.09 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 1p9k s SER 69 Cb -0.09 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1p9k s SER 69 CO 0.03 -0.05 0.06 0.12 0.98 0.00 0.00 173.24 174.38 1p9k s PHE 70 N 0.42 0.04 -0.08 5.02 5.36 -0.89 -2.22 117.98 125.64 1p9k s PHE 70 Ca -0.04 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 1p9k s PHE 70 Cb -0.05 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 1p9k s PHE 70 CO -0.01 -0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.57 1p9k n ALA 71 N 5.17 -0.81 0.00 11.12 0.00 -1.26 0.13 120.51 134.85 1p9k n ALA 71 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1p9k n ALA 71 Cb 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.43 0.92 3.47 0.00 0.00 -1.26 -5.05 105.19 102.83 1p9k n GLY 72 Ca -0.01 0.00 -0.43 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 2.98 -0.30 1.61 3.76 0.35 -4.99 115.29 116.69 1p9k s HIS 73 Ca 0.00 -1.20 -0.13 0.00 -0.15 0.00 0.00 55.06 53.57 1p9k s HIS 73 Cb 0.00 -4.34 -0.03 0.00 1.11 0.00 0.00 32.58 29.32 1p9k s HIS 73 CO 0.00 -1.57 0.30 -1.12 -0.85 0.00 0.00 174.74 171.49 1p9k s SER 74 N 3.83 6.13 0.02 1.40 0.01 -1.26 -2.09 113.70 121.75 1p9k s SER 74 Ca 0.33 -0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.49 1p9k s SER 74 Cb -0.06 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1p9k s SER 74 CO -0.07 -0.19 0.09 -0.69 0.41 0.00 0.00 173.24 172.79 1p9k s VAL 75 N 1.91 0.12 0.20 3.43 1.01 -0.36 -4.72 120.40 122.00 1p9k s VAL 75 Ca 0.10 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1p9k s VAL 75 Cb -0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1p9k s VAL 75 CO 0.11 -0.53 -0.04 -1.10 0.00 0.00 0.00 175.10 173.54 1p9k s GLN 76 N -2.09 2.24 0.05 2.72 -0.21 0.12 0.25 119.66 122.73 1p9k s GLN 76 Ca -0.09 -1.26 0.09 0.00 0.02 0.00 0.00 55.36 54.11 1p9k s GLN 76 Cb -0.04 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1p9k s GLN 76 CO -0.02 0.42 -0.25 0.08 -2.12 0.00 0.00 175.29 173.40 1p9k s VAL 77 N -1.89 2.00 0.20 1.09 1.01 0.33 0.66 120.40 123.81 1p9k s VAL 77 Ca 0.28 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1p9k s VAL 77 Cb -0.08 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1p9k s VAL 77 CO 0.18 0.29 0.02 0.68 0.00 0.00 0.00 175.10 176.27 1p9k s VAL 78 N -0.83 0.70 -2.00 2.92 -7.23 -0.85 -1.41 120.40 111.70 1p9k s VAL 78 Ca 0.11 -1.99 0.19 0.00 -1.81 0.00 0.00 61.98 58.48 1p9k s VAL 78 Cb -0.10 -2.28 0.55 0.00 0.56 0.00 0.00 36.38 35.12 1p9k s VAL 78 CO 0.02 -0.34 1.55 0.00 -0.31 0.00 0.00 175.10 176.03