#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 7.47 0.30 1.61 1.04 -1.26 -4.90 113.70 117.96 1p9k s SER 2 Ca 0.00 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1p9k s SER 2 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1p9k s SER 2 CO 0.00 0.19 0.00 0.23 0.98 0.00 0.00 173.24 174.64 1p9k n MET 3 N 1.60 -2.40 -0.34 4.02 2.00 -1.26 -4.12 117.12 116.62 1p9k n MET 3 Ca -0.04 1.58 0.07 0.00 0.00 0.00 0.00 57.70 59.31 1p9k n MET 3 Cb 0.48 -2.93 0.23 0.00 0.00 0.00 0.00 33.22 31.01 1p9k n MET 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1p9k n ILE 4 N -3.61 0.96 -3.95 2.02 -6.64 -1.26 -4.91 119.36 101.97 1p9k n ILE 4 Ca 0.01 -0.73 -0.09 0.00 -1.77 0.00 0.00 62.75 60.17 1p9k n ILE 4 Cb 0.54 0.16 -0.07 0.00 -1.44 0.00 0.00 39.64 38.83 1p9k n ILE 4 CO 0.00 0.00 0.00 -1.38 -1.77 0.00 0.00 176.55 173.40 1p9k s HIS 5 N -1.55 0.37 -0.55 4.28 -3.43 -1.26 -5.12 115.29 108.03 1p9k s HIS 5 Ca 0.34 -0.74 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 1p9k s HIS 5 Cb 0.20 -0.07 0.14 0.00 -1.43 0.00 0.00 32.58 31.42 1p9k s HIS 5 CO 0.19 -0.69 0.31 1.03 -2.00 0.00 0.00 174.74 173.59 1p9k s ARG 6 N -3.95 2.16 -0.06 -0.38 0.52 -1.26 -4.81 118.95 111.17 1p9k s ARG 6 Ca 0.15 -2.54 -0.09 0.00 -0.52 0.00 0.00 55.73 52.74 1p9k s ARG 6 Cb 0.04 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 1p9k s ARG 6 CO -0.02 -1.12 0.23 -1.64 0.02 0.00 0.00 175.30 172.77 1p9k s MET 7 N -0.12 3.59 -1.24 3.54 -1.94 -1.26 -5.01 119.30 116.86 1p9k s MET 7 Ca 0.16 0.02 -0.20 0.00 -1.71 0.00 0.00 55.69 53.96 1p9k s MET 7 Cb -0.23 -3.18 0.03 0.00 2.01 0.00 0.00 34.83 33.46 1p9k s MET 7 CO -0.02 0.73 1.77 -1.12 -0.01 0.00 0.00 175.02 176.37 1p9k s SER 8 N -1.18 6.32 0.38 3.03 0.01 -1.26 -4.86 113.70 116.14 1p9k s SER 8 Ca 0.20 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1p9k s SER 8 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1p9k s SER 8 CO 0.09 -1.71 0.00 0.59 0.41 0.00 0.00 173.24 172.62 1p9k n ASN 9 N 10.06 -8.38 -4.91 2.44 3.02 -1.26 -4.85 115.26 111.38 1p9k n ASN 9 Ca 0.46 0.72 -0.31 0.00 -0.03 0.00 0.00 54.58 55.42 1p9k n ASN 9 Cb 0.47 -4.40 -0.04 0.00 -0.61 0.00 0.00 39.78 35.20 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1p9k s MET 10 N -2.59 3.47 -0.00 3.52 -1.94 -1.26 -5.09 119.30 115.42 1p9k s MET 10 Ca 0.00 -0.36 -0.21 0.00 -1.71 0.00 0.00 55.69 53.41 1p9k s MET 10 Cb 0.00 -3.02 -0.05 0.00 2.01 0.00 0.00 34.83 33.77 1p9k s MET 10 CO 0.00 0.60 0.60 0.00 -0.01 0.00 0.00 175.02 176.21 1p9k s ALA 11 N -1.51 3.48 -0.02 3.03 0.00 -1.26 -5.07 121.76 120.42 1p9k s ALA 11 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1p9k s ALA 11 Cb -0.13 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1p9k s ALA 11 CO 0.26 0.17 0.02 0.95 0.00 0.00 0.00 175.76 177.15 1p9k s THR 12 N -0.21 0.01 0.02 0.00 -4.23 -1.26 -2.34 115.64 107.64 1p9k s THR 12 Ca 0.31 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1p9k s THR 12 Cb -0.18 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 1p9k s THR 12 CO 0.17 0.08 0.14 0.12 -0.54 0.00 0.00 174.62 174.59 1p9k s PHE 13 N 0.79 3.40 0.05 3.99 5.36 0.28 -4.95 117.98 126.89 1p9k s PHE 13 Ca -0.07 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1p9k s PHE 13 Cb -0.10 -1.75 -0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1p9k s PHE 13 CO -0.02 0.58 0.05 -1.12 -1.46 0.00 0.00 175.22 173.25 1p9k s SER 14 N -2.09 5.40 -0.02 6.13 0.01 -1.26 -0.08 113.70 121.79 1p9k s SER 14 Ca 0.28 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1p9k s SER 14 Cb -0.12 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 1p9k s SER 14 CO 0.20 0.22 -0.01 0.18 0.41 0.00 0.00 173.24 174.23 1p9k n LEU 15 N 0.83 2.43 0.00 2.44 4.77 -0.28 -4.89 117.00 122.31 1p9k n LEU 15 Ca -0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1p9k n LEU 15 Cb 0.52 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1p9k n LEU 15 CO 0.40 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1p9k n GLY 16 N 3.32 1.58 2.78 -0.72 0.00 -1.26 -3.86 105.19 107.04 1p9k n GLY 16 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 1.57 -3.21 1.61 5.02 -1.26 -4.80 118.16 117.09 1p9k n LYS 17 Ca 0.00 -3.08 -0.22 0.00 -2.02 0.00 0.00 58.31 52.99 1p9k n LYS 17 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.00 3.24 0.21 2.13 3.76 -1.25 -5.01 115.29 115.37 1p9k s HIS 18 Ca 0.24 0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 55.17 1p9k s HIS 18 Cb 0.36 -2.14 0.20 0.00 1.11 0.00 0.00 32.58 32.11 1p9k s HIS 18 CO -0.04 -0.17 1.85 -1.00 -0.85 0.00 0.00 174.74 174.53 1p9k h PRO 19 N 0.61 0.86 0.00 8.40 0.13 -1.98 -3.49 132.00 136.54 1p9k h PRO 19 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1p9k h PRO 19 Cb 1.25 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1p9k h PRO 19 CO 0.57 0.57 0.00 -2.39 -0.23 0.00 0.00 178.00 176.52 1p9k n HIS 20 N -4.65 0.00 -4.04 1.56 1.44 -1.26 -4.78 115.22 103.50 1p9k n HIS 20 Ca 0.08 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.70 1p9k n HIS 20 Cb 0.09 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.09 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 0.22 0.19 0.61 -7.23 -1.24 -4.99 120.40 104.96 1p9k s VAL 21 Ca 0.00 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1p9k s VAL 21 Cb 0.00 -0.83 -0.07 0.00 0.56 0.00 0.00 36.38 36.04 1p9k s VAL 21 CO 0.00 -0.70 0.54 -1.61 -0.31 0.00 0.00 175.10 173.03 1p9k s GLU 22 N -2.50 3.86 0.26 4.82 2.02 -1.26 -3.92 118.70 121.97 1p9k s GLU 22 Ca -0.06 0.34 -0.10 0.00 0.02 0.00 0.00 54.97 55.18 1p9k s GLU 22 Cb -0.03 -2.76 0.40 0.00 0.10 0.00 0.00 34.13 31.85 1p9k s GLU 22 CO -0.04 0.38 1.57 -0.07 0.02 0.00 0.00 175.26 177.12 1p9k h LEU 23 N 2.94 -0.91 -1.22 1.80 4.07 -1.80 1.08 115.31 121.26 1p9k h LEU 23 Ca -0.48 0.28 -0.07 0.00 0.08 0.00 0.00 57.88 57.70 1p9k h LEU 23 Cb 1.18 0.59 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 1p9k h LEU 23 CO 0.68 -0.31 -0.19 0.00 -1.08 0.00 0.00 178.44 177.54 1p9k h ASP 25 N 0.28 -0.84 -0.98 0.00 5.19 0.75 0.13 116.42 120.95 1p9k h ASP 25 Ca 0.05 0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.65 1p9k h ASP 25 Cb 0.50 0.22 -0.10 0.00 0.18 0.00 0.00 39.33 40.12 1p9k h ASP 25 CO 0.03 -0.48 0.58 0.25 -3.12 0.00 0.00 179.24 176.51 1p9k h LEU 26 N -1.22 0.76 0.14 1.55 5.85 -0.96 0.40 115.31 121.82 1p9k h LEU 26 Ca -0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1p9k h LEU 26 Cb 0.77 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1p9k h LEU 26 CO 0.17 0.29 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.42 1p9k h LEU 27 N 0.77 -0.16 -0.19 2.25 3.38 -1.32 -2.18 115.31 117.86 1p9k h LEU 27 Ca 0.55 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.58 1p9k h LEU 27 Cb 0.80 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1p9k h LEU 27 CO -0.37 -0.08 -0.37 0.50 0.09 0.00 0.00 178.44 178.21 1p9k h LYS 28 N -0.26 -0.40 -1.00 1.13 3.64 -0.53 0.33 116.57 119.47 1p9k h LYS 28 Ca -0.02 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1p9k h LYS 28 Cb 0.15 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1p9k h LYS 28 CO 0.03 -0.26 0.62 1.25 -2.27 0.00 0.00 179.45 178.82 1p9k h LEU 29 N -0.41 0.88 0.00 5.20 7.12 -0.34 0.67 115.31 128.43 1p9k h LEU 29 Ca 0.10 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1p9k h LEU 29 Cb 0.58 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1p9k h LEU 29 CO -0.41 0.44 -0.02 -0.62 -0.13 0.00 0.00 178.44 177.70 1p9k n GLU 30 N -4.66 0.00 -0.55 1.25 -0.58 -0.72 -4.91 120.64 110.47 1p9k n GLU 30 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1p9k n GLU 30 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.50 1.10 0.18 0.62 0.00 0.23 -5.02 105.19 103.79 1p9k n GLY 31 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.36 -2.47 1.61 4.06 -0.61 -3.46 115.95 114.72 1p9k h TRP 32 Ca 0.00 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.42 1p9k h TRP 32 Cb 0.19 0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 1p9k h TRP 32 CO 0.00 -0.22 -0.46 0.45 -3.56 0.00 0.00 178.44 174.65 1p9k s SER 33 N -4.53 6.31 -0.01 -3.49 0.15 -1.26 -4.99 113.70 105.88 1p9k s SER 33 Ca -0.06 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 1p9k s SER 33 Cb 0.01 -1.88 -0.26 0.00 -1.71 0.00 0.00 66.02 62.17 1p9k s SER 33 CO 0.17 0.02 0.79 -0.08 1.20 0.00 0.00 173.24 175.34 1p9k h GLU 34 N 1.90 0.20 0.00 5.44 4.81 -1.95 -3.41 114.58 121.57 1p9k h GLU 34 Ca -0.49 -0.35 -0.29 0.00 -0.13 0.00 0.00 59.36 58.10 1p9k h GLU 34 Cb 1.20 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 1p9k h GLU 34 CO 0.67 1.03 -2.00 -1.13 -0.73 0.00 0.00 179.01 176.84 1p9k n SER 35 N -3.39 1.81 0.00 1.04 3.41 -1.26 -5.05 113.62 110.18 1p9k n SER 35 Ca -0.18 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1p9k n SER 35 Cb 1.04 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 2.17 0.71 0.00 5.00 0.00 -1.26 -4.86 105.19 106.96 1p9k n GLY 36 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.85 -0.65 4.61 0.00 -1.26 -3.22 120.51 120.85 1p9k n ALA 37 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 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 -0.03 0.00 0.00 0.00 -0.06 -1.26 -3.15 117.38 112.88 1p9k n GLN 38 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 1p9k n GLN 38 Cb 0.22 -1.15 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 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 -1.03 2.26 -1.84 1.69 0.00 -1.26 -4.77 120.51 115.54 1p9k n ALA 39 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 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 -1.09 0.04 0.00 5.02 -1.19 -4.84 118.16 115.92 1p9k n LYS 40 Ca 0.00 0.86 0.21 0.00 -2.02 0.00 0.00 58.31 57.37 1p9k n LYS 40 Cb 0.11 -5.08 0.73 0.00 -0.02 0.00 0.00 35.03 30.78 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 0.45 0.00 -0.18 1.08 -1.84 0.33 117.51 117.35 1p9k h ILE 41 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1p9k h ILE 41 Cb 1.10 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1p9k h ILE 41 CO 0.42 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.88 1p9k n ALA 42 N -2.43 -0.03 -0.30 1.87 0.00 -1.20 -1.72 120.51 116.70 1p9k n ALA 42 Ca 0.09 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.78 1p9k n ALA 42 Cb 0.66 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.68 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 0.53 0.00 0.00 1.08 -1.83 -2.63 117.51 114.66 1p9k h ILE 43 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1p9k h ILE 43 Cb 0.00 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1p9k h ILE 43 CO 0.00 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 1p9k n ALA 44 N -2.56 -0.32 -0.21 1.87 0.00 0.12 -2.41 120.51 117.00 1p9k n ALA 44 Ca 0.24 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.85 1p9k n ALA 44 Cb 0.93 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.71 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 -0.04 0.00 0.00 0.00 -0.70 -0.76 120.64 117.48 1p9k n GLU 45 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 57.16 58.06 1p9k n GLU 45 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 29.87 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 -1.21 -2.82 0.01 8.31 0.00 -1.07 -2.55 105.19 105.86 1p9k n GLY 46 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.96 0.00 0.00 1.61 10.64 0.06 -3.39 117.38 125.35 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 -1.87 0.00 0.00 -0.86 0.00 0.00 30.24 27.51 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 -3.56 -0.39 0.31 -0.42 -4.86 118.33 108.18 1p9k n VAL 48 Ca -0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1p9k n VAL 48 Cb 0.35 -0.35 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.39 0.23 5.55 -0.14 -0.98 -4.84 119.74 119.94 1p9k s LYS 49 Ca 0.00 0.79 0.10 0.00 -1.36 0.00 0.00 55.97 55.50 1p9k s LYS 49 Cb 0.00 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.37 1p9k s LYS 49 CO 0.00 -0.10 -0.19 0.08 -0.76 0.00 0.00 175.35 174.37 1p9k s VAL 50 N 1.87 2.20 -0.82 3.17 1.01 -0.76 -0.39 120.40 126.68 1p9k s VAL 50 Ca -0.07 -2.21 -0.32 0.00 0.00 0.00 0.00 61.98 59.38 1p9k s VAL 50 Cb -0.05 -2.14 -0.18 0.00 0.00 0.00 0.00 36.38 34.01 1p9k s VAL 50 CO -0.16 -0.37 2.56 -0.90 0.00 0.00 0.00 175.10 176.23 1p9k n ASP 51 N -0.24 0.80 -1.80 3.32 5.75 -0.13 0.84 116.55 125.09 1p9k n ASP 51 Ca -0.08 0.13 -0.18 0.00 -0.01 0.00 0.00 54.79 54.65 1p9k n ASP 51 Cb 0.59 -1.05 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 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 6.53 1.03 2.55 6.12 0.00 -1.26 -4.90 105.19 115.27 1p9k n GLY 52 Ca 0.58 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.65 0.20 -1.37 4.61 0.00 0.25 -5.03 121.76 117.77 1p9k s ALA 53 Ca 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 1p9k s ALA 53 Cb 0.00 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.27 1p9k s ALA 53 CO 0.00 -2.08 2.41 1.55 0.00 0.00 0.00 175.76 177.64 1p9k n VAL 54 N 3.21 4.96 -2.50 0.00 3.14 -1.26 -1.82 118.33 124.07 1p9k n VAL 54 Ca 0.22 -4.04 0.00 0.00 -2.96 0.00 0.00 64.34 57.56 1p9k n VAL 54 Cb 0.49 -2.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.06 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 2.35 2.17 -2.71 1.45 1.02 -1.26 -4.94 120.64 118.73 1p9k n GLU 55 Ca 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.71 1p9k n GLU 55 Cb 0.26 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.78 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 -0.42 0.38 -2.35 2.62 5.66 -1.26 -1.08 114.28 117.84 1p9k n THR 56 Ca 0.00 -1.85 -0.25 0.00 -3.05 0.00 0.00 64.05 58.90 1p9k n THR 56 Cb 0.00 0.99 0.11 0.00 -1.55 0.00 0.00 70.33 69.88 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 -1.07 1.68 -0.04 1.09 0.52 -1.26 -4.60 118.95 115.27 1p9k s ARG 57 Ca 0.20 -0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 54.62 1p9k s ARG 57 Cb 0.41 -2.20 -0.30 0.00 0.52 0.00 0.00 34.95 33.39 1p9k s ARG 57 CO -0.07 -1.53 0.71 0.87 0.02 0.00 0.00 175.30 175.30 1p9k h LYS 58 N -0.73 0.35 -5.78 3.54 1.57 -1.96 -3.43 116.57 110.13 1p9k h LYS 58 Ca -0.41 -0.60 -0.67 0.00 -1.87 0.00 0.00 60.65 57.10 1p9k h LYS 58 Cb 1.28 0.22 -0.32 0.00 0.08 0.00 0.00 32.23 33.49 1p9k h LYS 58 CO 0.46 1.25 -0.88 -0.98 -0.57 0.00 0.00 179.45 178.74 1p9k s ARG 59 N -2.59 2.58 -0.22 3.15 1.70 -1.26 -3.00 118.95 119.31 1p9k s ARG 59 Ca -0.14 -0.87 0.02 0.00 -0.47 0.00 0.00 55.73 54.27 1p9k s ARG 59 Cb 0.06 -2.13 0.04 0.00 -0.57 0.00 0.00 34.95 32.35 1p9k s ARG 59 CO 0.85 0.32 -0.16 0.00 -1.08 0.00 0.00 175.30 175.24 1p9k s LYS 61 N 1.21 3.00 -0.01 0.00 3.01 -1.26 -4.28 119.74 121.41 1p9k s LYS 61 Ca -0.01 -0.66 0.03 0.00 -1.01 0.00 0.00 55.97 54.31 1p9k s LYS 61 Cb -0.16 -5.19 -0.00 0.00 -1.01 0.00 0.00 37.83 31.46 1p9k s LYS 61 CO -0.09 -2.88 -0.08 0.42 0.51 0.00 0.00 175.35 173.22 1p9k s ILE 62 N 7.90 0.70 0.30 2.17 -1.09 -1.26 -5.02 121.20 124.89 1p9k s ILE 62 Ca 0.60 -0.35 -0.03 0.00 -2.23 0.00 0.00 60.65 58.64 1p9k s ILE 62 Cb -0.04 -0.61 -0.01 0.00 -1.58 0.00 0.00 42.46 40.23 1p9k s ILE 62 CO -0.04 0.21 0.39 0.68 -1.23 0.00 0.00 174.94 174.94 1p9k s VAL 63 N -0.03 0.00 0.00 2.92 -7.23 -1.26 -3.62 120.40 111.18 1p9k s VAL 63 Ca 0.01 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1p9k s VAL 63 Cb -0.05 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.38 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 -3.33 1.32 0.00 -1.26 -4.39 120.51 112.36 1p9k n ALA 64 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.00 1p9k n ALA 64 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.23 3.04 0.25 0.00 0.00 -1.22 -2.92 107.32 106.24 1p9k s GLY 65 Ca 0.00 -3.67 0.10 0.00 0.00 0.00 0.00 44.72 41.15 1p9k s GLY 65 CO 0.00 1.31 -0.18 1.20 0.00 0.00 0.00 173.10 175.43 1p9k s GLN 66 N -0.78 1.54 0.05 2.90 -1.52 -0.66 -4.90 119.66 116.30 1p9k s GLN 66 Ca 0.27 -1.69 0.09 0.00 -1.95 0.00 0.00 55.36 52.08 1p9k s GLN 66 Cb -0.10 -1.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.12 1p9k s GLN 66 CO -0.08 0.28 -0.26 0.99 -0.25 0.00 0.00 175.29 175.97 1p9k s THR 67 N -2.62 2.11 0.02 -0.19 2.01 -1.26 0.11 115.64 115.82 1p9k s THR 67 Ca 0.27 -1.38 0.08 0.00 0.31 0.00 0.00 61.69 60.96 1p9k s THR 67 Cb -0.04 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1p9k s THR 67 CO 0.12 0.35 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 1p9k s VAL 68 N -0.81 2.34 -0.03 3.82 1.01 0.44 -0.95 120.40 126.22 1p9k s VAL 68 Ca 0.11 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1p9k s VAL 68 Cb -0.10 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1p9k s VAL 68 CO 0.02 0.43 -0.06 -0.44 0.00 0.00 0.00 175.10 175.05 1p9k s SER 69 N -1.09 0.94 -0.12 3.32 0.01 0.47 -2.15 113.70 115.09 1p9k s SER 69 Ca 0.12 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 1p9k s SER 69 Cb -0.10 -0.34 0.06 0.00 0.21 0.00 0.00 66.02 65.84 1p9k s SER 69 CO 0.02 0.00 0.24 0.12 0.41 0.00 0.00 173.24 174.03 1p9k s PHE 70 N 0.51 -0.36 0.00 2.43 5.36 -0.60 -2.33 117.98 122.99 1p9k s PHE 70 Ca -0.07 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1p9k s PHE 70 Cb -0.11 -0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 1p9k s PHE 70 CO 0.00 -0.31 0.00 0.00 -1.46 0.00 0.00 175.22 173.45 1p9k n ALA 71 N 5.07 0.00 -0.20 11.12 0.00 -1.26 0.68 120.51 135.92 1p9k n ALA 71 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 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 0.40 3.56 0.00 0.00 -1.26 -5.02 105.19 102.87 1p9k n GLY 72 Ca 0.00 0.00 -0.42 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 -0.30 3.11 -0.21 1.61 3.76 0.22 -5.03 115.29 118.44 1p9k s HIS 73 Ca 0.00 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.17 1p9k s HIS 73 Cb 0.00 -3.26 0.04 0.00 1.11 0.00 0.00 32.58 30.47 1p9k s HIS 73 CO 0.00 -0.73 -0.15 -1.12 -0.85 0.00 0.00 174.74 171.89 1p9k s SER 74 N 1.88 3.67 0.05 1.40 0.01 -1.26 -1.56 113.70 117.88 1p9k s SER 74 Ca 0.25 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1p9k s SER 74 Cb -0.14 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.58 1p9k s SER 74 CO 0.17 -0.09 -0.04 -0.69 0.41 0.00 0.00 173.24 172.99 1p9k s VAL 75 N 1.23 0.32 0.41 3.43 1.01 -0.91 -4.63 120.40 121.26 1p9k s VAL 75 Ca -0.01 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.61 1p9k s VAL 75 Cb -0.16 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1p9k s VAL 75 CO -0.09 -0.72 0.21 -1.10 0.00 0.00 0.00 175.10 173.40 1p9k s GLN 76 N -2.75 2.27 0.02 2.72 -0.21 -0.99 -0.42 119.66 120.31 1p9k s GLN 76 Ca -0.02 -1.79 0.02 0.00 0.02 0.00 0.00 55.36 53.58 1p9k s GLN 76 Cb -0.01 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1p9k s GLN 76 CO -0.05 -0.13 -0.06 0.08 -2.12 0.00 0.00 175.29 173.01 1p9k s VAL 77 N -2.58 0.45 0.08 1.09 1.01 0.30 1.00 120.40 121.75 1p9k s VAL 77 Ca 0.42 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1p9k s VAL 77 Cb 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1p9k s VAL 77 CO 0.23 -0.19 -0.15 0.68 0.00 0.00 0.00 175.10 175.67 1p9k s VAL 78 N -0.88 1.20 -0.73 2.92 -7.23 0.89 -1.65 120.40 114.92 1p9k s VAL 78 Ca -0.06 -1.38 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1p9k s VAL 78 Cb -0.07 -1.17 0.05 0.00 0.56 0.00 0.00 36.38 35.75 1p9k s VAL 78 CO 0.00 -0.23 0.69 0.00 -0.31 0.00 0.00 175.10 175.25