#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 -0.69 -0.46 1.61 0.01 -1.26 -5.09 113.70 107.82 1p9k s SER 2 Ca 0.00 1.23 0.04 0.00 1.31 0.00 0.00 55.95 58.53 1p9k s SER 2 Cb 0.00 1.47 0.23 0.00 0.21 0.00 0.00 66.02 67.93 1p9k s SER 2 CO 0.00 -0.22 0.93 0.23 0.41 0.00 0.00 173.24 174.59 1p9k n MET 3 N 4.92 0.57 -0.01 12.44 0.00 -1.26 -4.99 117.12 128.80 1p9k n MET 3 Ca -0.15 -1.56 0.01 0.00 0.00 0.00 0.00 57.70 55.99 1p9k n MET 3 Cb 0.53 -1.16 -0.03 0.00 0.00 0.00 0.00 33.22 32.56 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 1.97 0.07 -1.98 2.02 0.13 -1.26 -5.10 119.36 115.21 1p9k n ILE 4 Ca 0.10 -0.11 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 1p9k n ILE 4 Cb 0.63 0.03 -0.01 0.00 -0.84 0.00 0.00 39.64 39.44 1p9k n ILE 4 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 1p9k n HIS 5 N -1.78 -1.84 -2.34 9.51 8.25 -1.26 -4.90 115.22 120.86 1p9k n HIS 5 Ca -0.02 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 1p9k n HIS 5 Cb 0.25 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.81 1p9k n HIS 5 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p9k n ARG 6 N 0.57 -5.09 0.06 -0.41 1.74 -1.26 -4.95 116.66 107.32 1p9k n ARG 6 Ca -0.11 3.68 -0.22 0.00 -0.77 0.00 0.00 57.85 60.42 1p9k n ARG 6 Cb 0.18 -4.59 -0.15 0.00 -1.02 0.00 0.00 32.46 26.88 1p9k n ARG 6 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1p9k h MET 7 N 4.32 0.35 -4.98 5.56 4.05 -2.05 -3.48 114.93 118.71 1p9k h MET 7 Ca 0.00 -0.60 -0.34 0.00 -0.28 0.00 0.00 59.70 58.48 1p9k h MET 7 Cb 0.00 0.22 -0.14 0.00 -0.80 0.00 0.00 31.60 30.88 1p9k h MET 7 CO 0.00 1.29 -0.67 -1.12 0.23 0.00 0.00 176.91 176.64 1p9k s SER 8 N -7.19 1.60 -0.11 1.39 0.01 -1.26 -5.15 113.70 102.98 1p9k s SER 8 Ca -0.16 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 55.92 1p9k s SER 8 Cb 0.04 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.34 1p9k s SER 8 CO 0.83 -0.51 -0.06 0.21 0.41 0.00 0.00 173.24 174.12 1p9k s ASN 9 N -3.24 2.17 -0.40 2.44 2.47 -1.26 -5.10 114.94 112.02 1p9k s ASN 9 Ca 0.25 -0.31 -0.29 0.00 0.42 0.00 0.00 52.86 52.93 1p9k s ASN 9 Cb 0.05 -0.79 0.02 0.00 -1.45 0.00 0.00 41.25 39.08 1p9k s ASN 9 CO 0.06 -0.14 1.14 -0.04 -3.72 0.00 0.00 177.10 174.40 1p9k s MET 10 N 1.74 3.86 0.12 0.43 -1.94 -1.26 -5.01 119.30 117.24 1p9k s MET 10 Ca 0.05 0.82 -0.24 0.00 -1.71 0.00 0.00 55.69 54.60 1p9k s MET 10 Cb -0.13 -3.85 -0.07 0.00 2.01 0.00 0.00 34.83 32.80 1p9k s MET 10 CO -0.08 -1.19 0.74 0.00 -0.01 0.00 0.00 175.02 174.49 1p9k s ALA 11 N 4.19 3.45 -0.07 3.03 0.00 -1.26 -4.99 121.76 126.10 1p9k s ALA 11 Ca 0.48 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1p9k s ALA 11 Cb -0.10 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1p9k s ALA 11 CO 0.25 0.24 -0.19 0.95 0.00 0.00 0.00 175.76 177.02 1p9k s THR 12 N -0.84 2.62 -0.35 0.00 -4.23 -1.26 -1.07 115.64 110.51 1p9k s THR 12 Ca 0.35 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1p9k s THR 12 Cb -0.22 -2.02 0.10 0.00 1.34 0.00 0.00 72.50 71.71 1p9k s THR 12 CO 0.24 0.57 0.09 0.12 -0.54 0.00 0.00 174.62 175.10 1p9k s PHE 13 N -0.21 2.89 0.37 3.99 5.36 0.13 -4.96 117.98 125.54 1p9k s PHE 13 Ca -0.01 -2.54 -0.27 0.00 -0.96 0.00 0.00 56.93 53.15 1p9k s PHE 13 Cb -0.13 -2.43 -0.09 0.00 -0.34 0.00 0.00 43.02 40.03 1p9k s PHE 13 CO 0.03 -0.90 1.29 0.45 -1.46 0.00 0.00 175.22 174.64 1p9k s SER 14 N 1.03 6.55 -0.11 6.13 0.15 -1.26 -2.16 113.70 124.03 1p9k s SER 14 Ca 0.11 2.64 -0.00 0.00 0.70 0.00 0.00 55.95 59.40 1p9k s SER 14 Cb -0.19 -2.64 -0.25 0.00 -1.71 0.00 0.00 66.02 61.23 1p9k s SER 14 CO -0.13 -0.68 0.42 -0.11 1.20 0.00 0.00 173.24 173.94 1p9k n LEU 15 N 0.45 2.09 0.00 3.45 0.00 0.08 -4.88 117.00 118.18 1p9k n LEU 15 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1p9k n LEU 15 Cb 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 43.15 1p9k n LEU 15 CO 0.57 0.72 0.00 0.61 0.00 0.00 0.00 177.39 179.29 1p9k n GLY 16 N 1.88 2.00 2.00 -3.96 0.00 -1.26 -4.06 105.19 101.78 1p9k n GLY 16 Ca -0.28 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 0.59 -3.37 1.61 4.81 -1.26 -5.02 118.16 115.51 1p9k n LYS 17 Ca 0.00 -0.52 -0.20 0.00 -0.87 0.00 0.00 58.31 56.73 1p9k n LYS 17 Cb 0.00 0.18 -0.00 0.00 0.02 0.00 0.00 35.03 35.23 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 0.06 3.13 0.23 5.64 3.76 -1.26 -5.02 115.29 121.83 1p9k s HIS 18 Ca 0.04 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1p9k s HIS 18 Cb 0.19 -2.06 0.24 0.00 1.11 0.00 0.00 32.58 32.07 1p9k s HIS 18 CO -0.06 -0.08 1.68 -1.00 -0.85 0.00 0.00 174.74 174.43 1p9k h PRO 19 N 0.79 0.78 0.00 8.40 0.13 -1.98 -3.49 132.00 136.63 1p9k h PRO 19 Ca -0.46 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1p9k h PRO 19 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p9k h PRO 19 CO 0.54 0.88 0.00 -2.39 -0.23 0.00 0.00 178.00 176.79 1p9k n HIS 20 N -4.15 0.00 -4.08 1.56 1.44 -1.26 -4.81 115.22 103.93 1p9k n HIS 20 Ca 0.01 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.60 1p9k n HIS 20 Cb 0.38 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.38 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 -2.79 0.54 0.12 0.61 -7.23 -1.24 -4.99 120.40 105.42 1p9k s VAL 21 Ca 0.00 -1.23 -0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1p9k s VAL 21 Cb 0.00 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 36.09 1p9k s VAL 21 CO 0.00 -0.48 0.39 -1.61 -0.31 0.00 0.00 175.10 173.08 1p9k s GLU 22 N -2.00 3.66 0.29 4.82 8.01 -1.26 -3.99 118.70 128.23 1p9k s GLU 22 Ca -0.06 0.00 -0.03 0.00 0.01 0.00 0.00 54.97 54.89 1p9k s GLU 22 Cb -0.07 -2.89 0.62 0.00 -4.31 0.00 0.00 34.13 27.48 1p9k s GLU 22 CO -0.01 0.50 1.57 -0.07 0.01 0.00 0.00 175.26 177.26 1p9k h LEU 23 N 3.13 -0.64 -1.30 1.80 4.07 -1.83 1.26 115.31 121.80 1p9k h LEU 23 Ca -0.47 0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 1p9k h LEU 23 Cb 1.17 0.53 -0.02 0.00 1.08 0.00 0.00 40.66 43.42 1p9k h LEU 23 CO 0.70 -0.33 0.10 0.00 -1.08 0.00 0.00 178.44 177.83 1p9k h ASP 25 N 0.57 -0.69 -0.68 0.00 5.19 0.12 0.25 116.42 121.17 1p9k h ASP 25 Ca 0.13 0.02 0.14 0.00 -0.62 0.00 0.00 57.03 56.70 1p9k h ASP 25 Cb 0.21 0.18 -0.10 0.00 0.18 0.00 0.00 39.33 39.80 1p9k h ASP 25 CO -0.00 -0.40 0.17 0.25 -3.12 0.00 0.00 179.24 176.14 1p9k h LEU 26 N -1.00 0.05 0.62 1.55 5.85 -1.17 0.23 115.31 121.44 1p9k h LEU 26 Ca -0.08 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1p9k h LEU 26 Cb 0.62 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1p9k h LEU 26 CO 0.14 0.00 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.87 1p9k h LEU 27 N 0.29 -0.70 0.52 2.25 3.38 -1.25 -2.21 115.31 117.59 1p9k h LEU 27 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1p9k h LEU 27 Cb 0.59 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1p9k h LEU 27 CO -0.45 -0.32 -0.44 0.50 0.09 0.00 0.00 178.44 177.82 1p9k h LYS 28 N -1.18 -0.92 -0.62 1.13 3.11 -0.27 1.01 116.57 118.83 1p9k h LYS 28 Ca -0.08 0.06 0.09 0.00 -2.81 0.00 0.00 60.65 57.91 1p9k h LYS 28 Cb 0.66 0.21 -0.07 0.00 -1.00 0.00 0.00 32.23 32.02 1p9k h LYS 28 CO 0.14 -0.61 0.24 1.25 -2.81 0.00 0.00 179.45 177.66 1p9k h LEU 29 N -0.95 0.25 -0.52 5.20 6.46 -0.67 -0.45 115.31 124.63 1p9k h LEU 29 Ca -0.06 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1p9k h LEU 29 Cb 0.82 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1p9k h LEU 29 CO -0.02 0.15 0.00 -0.62 -0.62 0.00 0.00 178.44 177.33 1p9k n GLU 30 N -4.98 0.21 -0.30 1.25 -0.58 -0.83 -4.89 120.64 110.52 1p9k n GLU 30 Ca 0.09 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1p9k n GLU 30 Cb 0.28 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 0.34 1.31 0.19 0.62 0.00 -0.18 -5.02 105.19 102.44 1p9k n GLY 31 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.27 1.61 4.06 0.83 -3.45 115.95 115.38 1p9k h TRP 32 Ca 0.00 -0.01 -0.64 0.00 2.06 0.00 0.00 58.89 60.30 1p9k h TRP 32 Cb 0.10 0.12 -0.17 0.00 -1.00 0.00 0.00 29.16 28.21 1p9k h TRP 32 CO 0.00 -0.13 -0.61 0.45 -3.56 0.00 0.00 178.44 174.60 1p9k s SER 33 N -5.16 5.30 0.33 -3.49 0.15 -1.24 -4.99 113.70 104.60 1p9k s SER 33 Ca -0.08 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.68 1p9k s SER 33 Cb 0.01 -1.76 0.59 0.00 -1.71 0.00 0.00 66.02 63.15 1p9k s SER 33 CO 0.26 0.25 1.85 -0.08 1.20 0.00 0.00 173.24 176.73 1p9k h GLU 34 N 6.11 0.47 0.00 5.44 4.81 -1.94 -3.34 114.58 126.14 1p9k h GLU 34 Ca -0.41 -0.12 -0.33 0.00 -0.13 0.00 0.00 59.36 58.38 1p9k h GLU 34 Cb 1.18 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1p9k h GLU 34 CO 0.63 0.55 -2.10 -1.13 -0.73 0.00 0.00 179.01 176.23 1p9k n SER 35 N -4.25 1.48 0.00 1.04 3.41 -1.26 -5.05 113.62 108.99 1p9k n SER 35 Ca 0.01 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1p9k n SER 35 Cb 0.28 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.83 1.96 0.00 5.00 0.00 -1.25 -4.87 105.19 107.85 1p9k n GLY 36 Ca -0.38 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.66 -0.18 4.61 0.00 -1.26 -3.51 120.51 120.82 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 -2.21 117.38 113.85 1p9k n GLN 38 Ca 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 1p9k n GLN 38 Cb 0.41 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 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 -1.97 2.44 -1.52 1.69 0.00 -1.26 -4.80 120.51 115.09 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 -0.06 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 -0.23 -1.08 0.14 0.00 5.02 -0.94 -4.84 118.16 116.24 1p9k n LYS 40 Ca 0.00 1.02 0.19 0.00 -2.02 0.00 0.00 58.31 57.49 1p9k n LYS 40 Cb 0.12 -5.18 0.78 0.00 -0.02 0.00 0.00 35.03 30.73 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 0.44 0.00 -0.18 2.04 -1.81 0.36 117.51 118.35 1p9k h ILE 41 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1p9k h ILE 41 Cb 1.02 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1p9k h ILE 41 CO 0.46 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.61 1p9k n ALA 42 N -2.35 -0.02 -0.34 1.87 0.00 -1.23 -1.55 120.51 116.89 1p9k n ALA 42 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1p9k n ALA 42 Cb 0.47 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.28 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 0.69 0.09 0.00 1.08 -1.86 -2.62 117.51 114.90 1p9k h ILE 43 Ca 0.00 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1p9k h ILE 43 Cb 0.00 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.68 1p9k h ILE 43 CO 0.00 0.13 -0.06 0.00 -0.69 0.00 0.00 178.15 177.53 1p9k h ALA 44 N 1.64 -0.95 -0.67 1.87 0.00 -1.04 -2.64 119.26 117.47 1p9k h ALA 44 Ca 0.57 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.70 1p9k h ALA 44 Cb 0.96 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1p9k h ALA 44 CO -0.35 -0.94 0.26 -1.91 0.00 0.00 0.00 179.25 176.31 1p9k n GLU 45 N -2.50 -0.04 0.00 0.00 0.00 -0.60 -0.33 120.64 117.17 1p9k n GLU 45 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 57.16 58.09 1p9k n GLU 45 Cb 0.06 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 29.85 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 -2.78 0.09 8.31 0.00 -1.03 -2.14 105.19 106.43 1p9k n GLY 46 Ca 0.23 0.09 0.03 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 -1.39 0.04 0.00 1.61 10.64 0.55 -3.49 117.38 125.34 1p9k n GLN 47 Ca 0.00 0.40 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 1p9k n GLN 47 Cb 0.00 -2.01 0.00 0.00 -0.86 0.00 0.00 30.24 27.37 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 -1.64 0.00 -3.56 -0.39 0.31 -0.33 -4.87 118.33 107.85 1p9k n VAL 48 Ca -0.00 0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 1p9k n VAL 48 Cb 0.39 -0.33 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.42 0.11 5.55 -0.14 -1.06 -4.86 119.74 119.77 1p9k s LYS 49 Ca 0.00 0.88 0.10 0.00 -1.36 0.00 0.00 55.97 55.59 1p9k s LYS 49 Cb 0.00 0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 36.45 1p9k s LYS 49 CO 0.00 -0.11 -0.22 0.08 -0.76 0.00 0.00 175.35 174.33 1p9k s VAL 50 N 2.02 2.54 -0.85 3.17 1.01 -0.78 -0.38 120.40 127.13 1p9k s VAL 50 Ca -0.06 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 1p9k s VAL 50 Cb -0.06 -2.13 -0.18 0.00 0.00 0.00 0.00 36.38 34.01 1p9k s VAL 50 CO -0.17 0.14 2.61 -0.67 0.00 0.00 0.00 175.10 177.00 1p9k n ASP 51 N 0.98 0.83 -0.77 3.32 -0.08 0.23 0.14 116.55 121.20 1p9k n ASP 51 Ca -0.17 0.03 -0.10 0.00 -1.51 0.00 0.00 54.79 53.04 1p9k n ASP 51 Cb 0.53 -1.09 -0.04 0.00 2.34 0.00 0.00 41.12 42.86 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 6.41 1.10 2.55 0.27 0.00 -1.26 -4.78 105.19 109.47 1p9k n GLY 52 Ca 0.58 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.20 0.23 -1.28 4.61 0.00 0.36 -5.03 121.76 118.45 1p9k s ALA 53 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 1p9k s ALA 53 Cb 0.00 -1.93 0.16 0.00 0.00 0.00 0.00 23.12 21.35 1p9k s ALA 53 CO 0.00 -2.08 2.08 1.55 0.00 0.00 0.00 175.76 177.31 1p9k n VAL 54 N 3.22 4.84 -3.00 0.00 3.14 -1.25 -1.87 118.33 123.41 1p9k n VAL 54 Ca 0.22 -4.49 -0.07 0.00 -2.96 0.00 0.00 64.34 57.04 1p9k n VAL 54 Cb 0.48 -2.20 0.02 0.00 -1.06 0.00 0.00 33.84 31.09 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 2.67 0.84 -1.83 1.45 -0.58 -1.26 -4.96 120.64 116.98 1p9k n GLU 55 Ca 0.49 -1.13 0.03 0.00 -0.42 0.00 0.00 57.16 56.13 1p9k n GLU 55 Cb 0.31 -0.09 0.03 0.00 -0.57 0.00 0.00 31.44 31.11 1p9k n GLU 55 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1p9k n THR 56 N -1.47 0.32 -2.18 2.62 -2.24 -1.26 -1.34 114.28 108.72 1p9k n THR 56 Ca 0.06 -1.45 -0.26 0.00 -2.27 0.00 0.00 64.05 60.13 1p9k n THR 56 Cb 0.22 1.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.94 2.29 0.15 -0.78 0.52 -1.26 -4.65 118.95 114.27 1p9k s ARG 57 Ca 0.31 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 1p9k s ARG 57 Cb 0.36 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.62 1p9k s ARG 57 CO -0.13 -1.20 1.35 0.87 0.02 0.00 0.00 175.30 176.20 1p9k h LYS 58 N -0.60 0.13 -5.09 3.54 1.57 -1.95 -3.44 116.57 110.74 1p9k h LYS 58 Ca -0.45 -0.16 -0.40 0.00 -1.87 0.00 0.00 60.65 57.77 1p9k h LYS 58 Cb 1.31 0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.43 1p9k h LYS 58 CO 0.61 0.96 -0.78 1.03 -0.57 0.00 0.00 179.45 180.70 1p9k s ARG 59 N -3.05 0.80 -0.16 3.15 0.52 -1.26 -3.74 118.95 115.21 1p9k s ARG 59 Ca -0.02 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1p9k s ARG 59 Cb 0.10 -0.76 0.04 0.00 0.52 0.00 0.00 34.95 34.85 1p9k s ARG 59 CO 0.83 0.18 -0.05 0.00 0.02 0.00 0.00 175.30 176.28 1p9k s LYS 61 N 1.66 3.15 -0.01 0.00 1.02 -1.26 -4.32 119.74 119.99 1p9k s LYS 61 Ca 0.01 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1p9k s LYS 61 Cb -0.15 -5.06 -0.01 0.00 -0.52 0.00 0.00 37.83 32.10 1p9k s LYS 61 CO -0.08 -2.60 -0.08 0.42 -0.92 0.00 0.00 175.35 172.09 1p9k s ILE 62 N 6.94 0.64 0.29 2.17 1.01 -1.26 -5.00 121.20 125.99 1p9k s ILE 62 Ca 0.54 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1p9k s ILE 62 Cb -0.04 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1p9k s ILE 62 CO -0.02 0.18 0.38 0.68 0.00 0.00 0.00 174.94 176.17 1p9k s VAL 63 N -0.16 0.00 0.00 2.92 -7.23 -1.26 -3.71 120.40 110.96 1p9k s VAL 63 Ca 0.03 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1p9k s VAL 63 Cb -0.03 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.40 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 -3.08 1.32 0.00 -1.26 -4.35 120.51 112.66 1p9k n ALA 64 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 1p9k n ALA 64 Cb 0.63 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 0.20 0.00 0.00 0.00 177.50 177.70 1p9k s GLY 65 N -0.34 2.67 0.45 0.00 0.00 -1.23 -2.98 107.32 105.90 1p9k s GLY 65 Ca 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 44.72 41.24 1p9k s GLY 65 CO 0.00 1.81 0.02 1.20 0.00 0.00 0.00 173.10 176.13 1p9k s GLN 66 N 0.66 2.05 0.05 2.90 -0.21 -0.33 -4.93 119.66 119.85 1p9k s GLN 66 Ca 0.38 -2.25 0.02 0.00 0.02 0.00 0.00 55.36 53.54 1p9k s GLN 66 Cb -0.05 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.54 1p9k s GLN 66 CO -0.03 -0.27 -0.08 0.99 -2.12 0.00 0.00 175.29 173.78 1p9k s THR 67 N -2.90 0.57 0.02 -0.19 2.01 -1.26 0.11 115.64 114.00 1p9k s THR 67 Ca 0.19 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 61.05 1p9k s THR 67 Cb 0.05 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1p9k s THR 67 CO 0.10 -0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.77 1p9k s VAL 68 N -1.63 1.04 -0.01 3.82 1.01 0.16 0.75 120.40 125.53 1p9k s VAL 68 Ca -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1p9k s VAL 68 Cb -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1p9k s VAL 68 CO -0.00 0.07 0.03 -0.44 0.00 0.00 0.00 175.10 174.76 1p9k s SER 69 N -0.89 -0.01 -0.11 3.32 0.01 0.49 -1.86 113.70 114.64 1p9k s SER 69 Ca 0.02 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 1p9k s SER 69 Cb -0.07 0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.30 1p9k s SER 69 CO 0.01 -0.05 0.24 0.12 0.41 0.00 0.00 173.24 173.96 1p9k s PHE 70 N -0.16 -0.35 0.00 2.43 5.36 -0.23 -2.56 117.98 122.47 1p9k s PHE 70 Ca -0.02 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1p9k s PHE 70 Cb -0.01 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.60 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 5.09 0.00 -0.18 11.12 0.00 -1.26 0.98 120.51 136.26 1p9k n ALA 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 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 0.23 3.57 0.00 0.00 -1.26 -5.01 105.19 102.71 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 -0.32 3.12 -0.25 1.61 3.76 0.28 -5.02 115.29 118.46 1p9k s HIS 73 Ca 0.00 0.37 0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1p9k s HIS 73 Cb 0.00 -3.30 0.05 0.00 1.11 0.00 0.00 32.58 30.45 1p9k s HIS 73 CO 0.00 -0.72 -0.12 0.45 -0.85 0.00 0.00 174.74 173.51 1p9k s SER 74 N 1.86 4.21 0.07 1.40 0.15 -1.26 -1.06 113.70 119.06 1p9k s SER 74 Ca 0.27 -1.27 0.04 0.00 0.70 0.00 0.00 55.95 55.69 1p9k s SER 74 Cb -0.14 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 1p9k s SER 74 CO 0.17 -0.17 -0.12 -0.69 1.20 0.00 0.00 173.24 173.63 1p9k s VAL 75 N 1.16 0.95 0.26 4.45 1.01 -0.78 -4.30 120.40 123.15 1p9k s VAL 75 Ca -0.07 -1.36 0.10 0.00 0.00 0.00 0.00 61.98 60.64 1p9k s VAL 75 Cb -0.19 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1p9k s VAL 75 CO -0.06 -0.36 -0.01 -1.10 0.00 0.00 0.00 175.10 173.57 1p9k s GLN 76 N -2.02 2.27 -0.02 2.72 1.11 -0.23 -0.67 119.66 122.81 1p9k s GLN 76 Ca -0.01 -1.41 0.06 0.00 0.01 0.00 0.00 55.36 54.00 1p9k s GLN 76 Cb -0.08 -2.16 -0.01 0.00 -1.01 0.00 0.00 33.01 29.75 1p9k s GLN 76 CO 0.01 0.37 -0.19 0.08 0.01 0.00 0.00 175.29 175.57 1p9k s VAL 77 N -2.28 1.53 0.08 1.09 1.01 0.29 0.17 120.40 122.29 1p9k s VAL 77 Ca 0.31 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1p9k s VAL 77 Cb -0.07 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1p9k s VAL 77 CO 0.19 0.43 -0.09 0.68 0.00 0.00 0.00 175.10 176.31 1p9k s VAL 78 N -0.33 0.83 0.00 2.92 -7.23 -0.92 -1.18 120.40 114.50 1p9k s VAL 78 Ca 0.04 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1p9k s VAL 78 Cb -0.09 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.62 1p9k s VAL 78 CO 0.00 -0.55 0.00 0.00 -0.31 0.00 0.00 175.10 174.25