#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5k s MET 2 N -3.93 1.25 0.00 0.00 0.23 0.34 -4.73 119.30 112.46 1i5k s MET 2 Ca 0.13 -1.63 0.00 0.00 -1.03 0.00 0.00 55.69 53.15 1i5k s MET 2 Cb -0.05 -0.32 0.00 0.00 -1.53 0.00 0.00 34.83 32.93 1i5k s MET 2 CO 0.07 -0.18 0.37 -2.39 -2.03 0.00 0.00 175.02 170.85 1i5k n HIS 3 N -0.34 0.00 0.00 3.16 1.44 -1.26 -0.34 115.22 117.87 1i5k n HIS 3 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 1i5k n HIS 3 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 1i5k n HIS 3 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i5k n GLY 4 N 0.27 0.39 0.06 -1.39 0.00 -1.26 -4.86 105.19 98.40 1i5k n GLY 4 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1i5k n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i5k n SER 5 N -0.42 0.51 0.00 1.61 7.64 -1.26 -4.97 113.62 116.73 1i5k n SER 5 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1i5k n SER 5 Cb 0.00 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1i5k n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i5k n GLY 6 N 1.26 0.63 0.09 0.23 0.00 -1.26 -3.57 105.19 102.58 1i5k n GLY 6 Ca -0.01 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.38 1i5k n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5k n GLU 7 N -2.46 0.09 0.00 1.61 1.02 -1.26 -2.65 120.64 116.99 1i5k n GLU 7 Ca 0.00 0.51 0.02 0.00 -0.02 0.00 0.00 57.16 57.67 1i5k n GLU 7 Cb 0.04 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1i5k n GLU 7 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i5k n ASN 8 N -1.95 0.83 -4.59 1.62 3.02 -1.26 -4.84 115.26 108.10 1i5k n ASN 8 Ca 0.00 -0.92 -0.54 0.00 -0.03 0.00 0.00 54.58 53.09 1i5k n ASN 8 Cb 0.08 0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 1i5k n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i5k n TYR 9 N -0.38 1.40 -1.99 3.10 9.36 -1.08 -4.84 117.16 122.72 1i5k n TYR 9 Ca 0.02 0.72 0.05 0.00 3.32 0.00 0.00 57.90 62.01 1i5k n TYR 9 Cb 0.10 -2.29 0.09 0.00 -0.63 0.00 0.00 39.34 36.60 1i5k n TYR 9 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1i5k n ASP 10 N 2.61 1.22 -4.14 2.98 -0.08 -1.26 -4.88 116.55 112.99 1i5k n ASP 10 Ca 0.20 -2.72 -0.30 0.00 -1.51 0.00 0.00 54.79 50.46 1i5k n ASP 10 Cb 0.16 -0.37 0.20 0.00 2.34 0.00 0.00 41.12 43.45 1i5k n ASP 10 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1i5k s GLY 11 N -2.34 1.63 0.00 0.27 0.00 -1.26 -5.01 107.32 100.61 1i5k s GLY 11 Ca 0.30 -0.89 0.21 0.00 0.00 0.00 0.00 44.72 44.34 1i5k s GLY 11 CO -0.09 -0.11 1.21 0.28 0.00 0.00 0.00 173.10 174.39 1i5k n LYS 12 N -4.29 2.05 -1.64 2.90 5.02 -1.26 -4.73 118.16 116.22 1i5k n LYS 12 Ca 0.12 -1.87 -0.46 0.00 -2.02 0.00 0.00 58.31 54.07 1i5k n LYS 12 Cb 0.59 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1i5k n LYS 12 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i5k n ILE 13 N 1.22 1.06 -2.65 -0.18 2.08 -1.26 -4.77 119.36 114.86 1i5k n ILE 13 Ca 0.14 -0.26 -0.10 0.00 0.56 0.00 0.00 62.75 63.08 1i5k n ILE 13 Cb 0.54 -1.25 0.03 0.00 -0.75 0.00 0.00 39.64 38.20 1i5k n ILE 13 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1i5k n SER 14 N 1.98 1.95 -3.94 4.38 3.41 -1.26 -0.61 113.62 119.53 1i5k n SER 14 Ca 0.12 -2.78 -0.09 0.00 -0.26 0.00 0.00 58.87 55.87 1i5k n SER 14 Cb 0.30 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 1i5k n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i5k s LYS 15 N -3.27 0.67 0.62 4.33 1.02 -1.26 -1.95 119.74 119.90 1i5k s LYS 15 Ca 0.30 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1i5k s LYS 15 Cb 0.43 0.26 0.07 0.00 -0.52 0.00 0.00 37.83 38.08 1i5k s LYS 15 CO 0.00 -0.18 0.86 0.95 -0.92 0.00 0.00 175.35 176.07 1i5k s THR 16 N -3.22 2.43 -1.69 2.17 -4.23 -0.81 -4.39 115.64 105.90 1i5k s THR 16 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1i5k s THR 16 Cb 0.02 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1i5k s THR 16 CO -0.07 0.00 0.55 1.15 -0.54 0.00 0.00 174.62 175.70 1i5k n MET 17 N -2.54 0.00 0.00 3.99 0.00 -0.17 -0.61 117.12 117.80 1i5k n MET 17 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.89 1i5k n MET 17 Cb 0.60 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.31 1i5k n MET 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1i5k n SER 18 N -1.05 1.37 0.00 3.17 3.41 -1.26 -4.95 113.62 114.31 1i5k n SER 18 Ca 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1i5k n SER 18 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1i5k n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i5k n GLY 19 N -0.27 0.50 3.69 5.00 0.00 0.22 -5.06 105.19 109.28 1i5k n GLY 19 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1i5k n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i5k s LEU 20 N 0.00 4.30 0.28 0.99 1.43 -1.26 -4.69 118.68 119.73 1i5k s LEU 20 Ca 0.00 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.58 1i5k s LEU 20 Cb 0.00 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.53 1i5k s LEU 20 CO 0.00 -0.50 1.48 1.21 0.23 0.00 0.00 176.35 178.76 1i5k n GLU 21 N 4.79 2.35 -1.73 1.70 4.07 -1.26 -1.93 120.64 128.63 1i5k n GLU 21 Ca 0.10 0.83 -0.31 0.00 -0.06 0.00 0.00 57.16 57.72 1i5k n GLU 21 Cb 0.47 -2.54 0.03 0.00 -0.06 0.00 0.00 31.44 29.34 1i5k n GLU 21 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1i5k s GLN 23 N -5.10 4.31 0.17 0.00 0.74 0.42 -4.62 119.66 115.58 1i5k s GLN 23 Ca 0.57 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 56.48 1i5k s GLN 23 Cb -0.12 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.61 1i5k s GLN 23 CO 0.54 0.52 1.47 0.00 -0.55 0.00 0.00 175.29 177.27 1i5k s ALA 24 N -0.74 3.67 0.59 1.58 0.00 -1.26 -4.42 121.76 121.18 1i5k s ALA 24 Ca 0.31 1.27 0.29 0.00 0.00 0.00 0.00 51.96 53.83 1i5k s ALA 24 Cb -0.20 -3.57 1.47 0.00 0.00 0.00 0.00 23.12 20.82 1i5k s ALA 24 CO 0.20 -0.70 1.89 -1.49 0.00 0.00 0.00 175.76 175.65 1i5k h TRP 25 N 6.35 0.00 -0.62 0.00 4.06 -1.21 -2.02 115.95 122.51 1i5k h TRP 25 Ca -0.43 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.37 1i5k h TRP 25 Cb 1.21 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.28 1i5k h TRP 25 CO 0.64 0.00 0.19 -3.47 -3.56 0.00 0.00 178.44 172.24 1i5k n ASP 26 N -3.67 4.66 -4.35 -3.49 -0.08 -1.26 -4.58 116.55 103.78 1i5k n ASP 26 Ca 0.08 -3.00 -0.19 0.00 -1.51 0.00 0.00 54.79 50.17 1i5k n ASP 26 Cb 0.67 -0.71 -0.10 0.00 2.34 0.00 0.00 41.12 43.32 1i5k n ASP 26 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1i5k s SER 27 N -0.78 2.63 0.00 1.67 0.15 -0.76 -5.01 113.70 111.60 1i5k s SER 27 Ca 0.48 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 56.18 1i5k s SER 27 Cb 0.38 -0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 1i5k s SER 27 CO 0.12 -0.14 1.02 0.00 1.20 0.00 0.00 173.24 175.44 1i5k n GLN 28 N -0.31 2.25 -5.10 5.44 1.13 -1.26 -4.86 117.38 114.67 1i5k n GLN 28 Ca -0.08 -1.54 -0.32 0.00 -1.94 0.00 0.00 57.00 53.11 1i5k n GLN 28 Cb 0.60 -1.11 -0.16 0.00 0.11 0.00 0.00 30.24 29.68 1i5k n GLN 28 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1i5k s SER 29 N -0.87 3.36 0.00 1.08 0.15 -1.26 -2.01 113.70 114.15 1i5k s SER 29 Ca 0.09 -0.48 0.22 0.00 0.70 0.00 0.00 55.95 56.48 1i5k s SER 29 Cb 0.05 -1.34 0.93 0.00 -1.71 0.00 0.00 66.02 63.95 1i5k s SER 29 CO 0.07 0.18 1.70 -0.81 1.20 0.00 0.00 173.24 175.58 1i5k n PRO 30 N 3.37 0.01 -4.69 5.44 -0.04 -1.26 -4.83 135.00 133.00 1i5k n PRO 30 Ca -0.18 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.07 1i5k n PRO 30 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 1i5k n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1i5k s HIS 31 N -2.99 2.76 0.26 0.54 3.76 -0.85 -4.99 115.29 113.78 1i5k s HIS 31 Ca 0.11 -0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 53.79 1i5k s HIS 31 Cb 0.14 -1.85 -0.09 0.00 1.11 0.00 0.00 32.58 31.89 1i5k s HIS 31 CO 0.39 -0.40 1.24 0.00 -0.85 0.00 0.00 174.74 175.12 1i5k s ALA 32 N 0.63 3.47 0.15 -1.40 0.00 -0.93 -4.31 121.76 119.37 1i5k s ALA 32 Ca -0.09 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 1i5k s ALA 32 Cb -0.16 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1i5k s ALA 32 CO 0.03 -0.45 0.94 -3.38 0.00 0.00 0.00 175.76 172.90 1i5k s HIS 33 N -0.64 -0.15 -0.28 0.00 -3.43 -1.26 -5.06 115.29 104.47 1i5k s HIS 33 Ca 0.50 -0.15 0.08 0.00 -0.80 0.00 0.00 55.06 54.70 1i5k s HIS 33 Cb -0.36 0.64 0.46 0.00 -1.43 0.00 0.00 32.58 31.89 1i5k s HIS 33 CO 0.43 -0.83 1.32 0.41 -2.00 0.00 0.00 174.74 174.08 1i5k n GLY 34 N -0.45 5.52 2.83 -1.38 0.00 -1.26 -4.70 105.19 105.75 1i5k n GLY 34 Ca -0.06 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 1i5k n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i5k n TYR 35 N -0.98 2.96 -1.74 1.61 4.01 -1.26 -4.99 117.16 116.77 1i5k n TYR 35 Ca 0.33 -2.39 -0.42 0.00 -0.16 0.00 0.00 57.90 55.26 1i5k n TYR 35 Cb 0.87 -1.23 -0.01 0.00 -0.31 0.00 0.00 39.34 38.67 1i5k n TYR 35 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1i5k n ILE 36 N -0.54 1.67 -0.16 -0.72 2.08 -1.26 -4.91 119.36 115.53 1i5k n ILE 36 Ca 0.55 -0.42 -0.10 0.00 0.56 0.00 0.00 62.75 63.34 1i5k n ILE 36 Cb 0.29 -1.80 0.02 0.00 -0.75 0.00 0.00 39.64 37.40 1i5k n ILE 36 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1i5k h PRO 37 N 3.37 0.99 -0.15 0.38 0.11 -1.86 -2.46 132.00 132.37 1i5k h PRO 37 Ca -0.48 -0.39 0.04 0.00 0.11 0.00 0.00 66.00 65.28 1i5k h PRO 37 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1i5k h PRO 37 CO 0.68 1.07 0.16 0.77 -0.21 0.00 0.00 178.00 180.46 1i5k h SER 38 N 0.86 0.00 0.46 -2.05 0.02 -1.96 -0.02 113.55 110.86 1i5k h SER 38 Ca 0.12 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.77 1i5k h SER 38 Cb 0.73 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.29 1i5k h SER 38 CO 0.06 0.00 -1.38 0.50 -1.14 0.00 0.00 176.83 174.87 1i5k h LYS 39 N 0.00 0.38 -2.12 3.45 3.64 -1.83 -3.36 116.57 116.73 1i5k h LYS 39 Ca 0.07 -0.64 -0.55 0.00 -1.27 0.00 0.00 60.65 58.26 1i5k h LYS 39 Cb 0.38 0.24 -0.41 0.00 -0.41 0.00 0.00 32.23 32.03 1i5k h LYS 39 CO -0.00 1.30 -0.85 1.19 -2.27 0.00 0.00 179.45 178.82 1i5k n PHE 40 N -3.60 2.63 -0.15 1.91 3.01 -0.89 -4.93 117.46 115.45 1i5k n PHE 40 Ca -0.13 -3.87 0.27 0.00 1.01 0.00 0.00 57.45 54.73 1i5k n PHE 40 Cb 1.06 -0.44 0.71 0.00 -0.01 0.00 0.00 39.48 40.80 1i5k n PHE 40 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1i5k h PRO 41 N 2.97 0.01 -0.10 -1.08 0.13 -1.18 -1.95 132.00 130.80 1i5k h PRO 41 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1i5k h PRO 41 Cb 0.70 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1i5k h PRO 41 CO 0.70 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.75 1i5k n ASN 42 N -4.29 0.83 -0.73 1.44 6.94 -1.26 -3.88 115.26 114.31 1i5k n ASN 42 Ca 0.17 -1.68 0.08 0.00 -0.02 0.00 0.00 54.58 53.13 1i5k n ASN 42 Cb 0.90 -0.07 0.13 0.00 -2.36 0.00 0.00 39.78 38.38 1i5k n ASN 42 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1i5k n LYS 43 N -0.19 1.87 -3.53 -3.83 4.76 -0.73 -5.01 118.16 111.50 1i5k n LYS 43 Ca 0.12 -1.78 -0.24 0.00 -2.87 0.00 0.00 58.31 53.54 1i5k n LYS 43 Cb 0.18 -1.33 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 1i5k n LYS 43 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i5k n ASN 44 N 0.88 -6.34 -3.36 4.39 4.13 -1.25 -4.80 115.26 108.91 1i5k n ASN 44 Ca 0.12 -0.51 -0.33 0.00 1.68 0.00 0.00 54.58 55.54 1i5k n ASN 44 Cb 0.43 -5.00 -0.02 0.00 -1.54 0.00 0.00 39.78 33.64 1i5k n ASN 44 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1i5k n LEU 45 N -4.87 6.20 -4.80 3.41 4.32 -1.26 -4.83 117.00 115.16 1i5k n LEU 45 Ca -0.01 -3.49 -0.37 0.00 -0.02 0.00 0.00 56.01 52.12 1i5k n LEU 45 Cb 0.57 -1.31 -0.06 0.00 -1.62 0.00 0.00 43.42 41.00 1i5k n LEU 45 CO 0.63 0.96 0.52 -0.54 -1.22 0.00 0.00 177.39 177.74 1i5k s LYS 46 N 3.26 4.42 0.00 3.23 3.01 -1.26 -4.77 119.74 127.63 1i5k s LYS 46 Ca 0.52 1.08 0.00 0.00 -1.01 0.00 0.00 55.97 56.57 1i5k s LYS 46 Cb 0.14 -2.88 0.00 0.00 -1.01 0.00 0.00 37.83 34.07 1i5k s LYS 46 CO -0.03 0.36 0.00 1.63 0.51 0.00 0.00 175.35 177.83 1i5k n LYS 47 N 0.73 0.00 -1.75 1.68 5.02 -1.26 -2.95 118.16 119.63 1i5k n LYS 47 Ca -0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1i5k n LYS 47 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.59 1i5k n LYS 47 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1i5k n ASN 48 N 0.48 2.67 -4.77 4.39 2.04 -1.26 -0.70 115.26 118.11 1i5k n ASN 48 Ca 0.00 -3.10 -0.39 0.00 -0.44 0.00 0.00 54.58 50.65 1i5k n ASN 48 Cb 0.00 -0.41 -0.04 0.00 -2.53 0.00 0.00 39.78 36.80 1i5k n ASN 48 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 1i5k s TYR 49 N -2.94 3.40 0.36 -2.53 2.02 -1.15 -4.57 117.35 111.94 1i5k s TYR 49 Ca 0.39 1.66 -0.27 0.00 -0.37 0.00 0.00 57.07 58.48 1i5k s TYR 49 Cb 0.38 -3.26 -0.10 0.00 -0.40 0.00 0.00 41.96 38.58 1i5k s TYR 49 CO -0.04 -0.70 1.30 0.00 -1.57 0.00 0.00 175.55 174.53 1i5k s ARG 51 N -2.00 0.83 -0.56 0.00 1.81 -0.80 -4.82 118.95 113.42 1i5k s ARG 51 Ca 0.52 -0.92 0.06 0.00 -1.72 0.00 0.00 55.73 53.68 1i5k s ARG 51 Cb -0.38 0.34 0.24 0.00 -0.45 0.00 0.00 34.95 34.69 1i5k s ARG 51 CO 0.50 -0.26 0.62 -1.71 -0.68 0.00 0.00 175.30 173.77 1i5k n ASN 52 N 0.02 2.30 0.14 0.23 2.85 -1.25 -1.69 115.26 117.85 1i5k n ASN 52 Ca -0.15 -3.12 0.13 0.00 -0.11 0.00 0.00 54.58 51.33 1i5k n ASN 52 Cb 0.62 -0.66 0.40 0.00 1.24 0.00 0.00 39.78 41.38 1i5k n ASN 52 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1i5k h PRO 53 N 4.36 0.00 -0.34 1.20 0.13 -1.88 -3.37 132.00 132.10 1i5k h PRO 53 Ca 0.16 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.07 1i5k h PRO 53 Cb 0.75 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.74 1i5k h PRO 53 CO 0.68 0.00 -0.33 -0.40 -0.23 0.00 0.00 178.00 177.72 1i5k n ASP 54 N -2.47 2.94 -2.76 1.44 5.68 -1.26 -4.95 116.55 115.17 1i5k n ASP 54 Ca 0.04 -3.83 -0.15 0.00 -0.50 0.00 0.00 54.79 50.35 1i5k n ASP 54 Cb 0.40 -0.56 -0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1i5k n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i5k n ARG 55 N -1.03 -2.73 -1.13 0.11 1.74 -1.26 -4.95 116.66 107.41 1i5k n ARG 55 Ca 0.32 0.51 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 1i5k n ARG 55 Cb 0.89 -5.14 0.17 0.00 -1.02 0.00 0.00 32.46 27.35 1i5k n ARG 55 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1i5k n ASP 56 N -1.95 -0.75 0.20 0.55 4.64 -1.26 -4.99 116.55 112.99 1i5k n ASP 56 Ca -0.09 -1.20 0.09 0.00 -1.38 0.00 0.00 54.79 52.21 1i5k n ASP 56 Cb 0.58 -0.75 0.19 0.00 -1.04 0.00 0.00 41.12 40.10 1i5k n ASP 56 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1i5k h LEU 57 N 0.00 0.00 -7.00 -2.67 3.38 -1.92 -3.48 115.31 103.62 1i5k h LEU 57 Ca -0.31 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.90 1i5k h LEU 57 Cb 0.90 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.46 1i5k h LEU 57 CO 0.21 0.19 0.80 0.00 0.09 0.00 0.00 178.44 179.73 1i5k s ARG 58 N -3.20 0.33 0.51 1.13 1.70 -1.25 -4.68 118.95 113.49 1i5k s ARG 58 Ca 0.05 -0.12 -0.19 0.00 -0.47 0.00 0.00 55.73 55.01 1i5k s ARG 58 Cb 0.07 0.15 -0.13 0.00 -0.57 0.00 0.00 34.95 34.47 1i5k s ARG 58 CO 0.68 -0.14 0.17 -2.30 -1.08 0.00 0.00 175.30 172.63 1i5k n PRO 59 N -0.08 0.22 -4.04 3.89 -0.02 -1.23 -4.72 135.00 129.01 1i5k n PRO 59 Ca -0.00 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1i5k n PRO 59 Cb 0.58 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 1i5k n PRO 59 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1i5k s TRP 60 N -1.84 0.88 0.25 6.00 1.48 -0.68 0.04 118.94 125.07 1i5k s TRP 60 Ca 0.62 -1.18 -0.20 0.00 -1.06 0.00 0.00 56.10 54.28 1i5k s TRP 60 Cb -0.50 0.06 0.07 0.00 -1.16 0.00 0.00 33.47 31.95 1i5k s TRP 60 CO 0.61 -1.18 0.97 0.00 -4.06 0.00 0.00 176.95 173.28 1i5k s PHE 62 N -2.08 3.59 0.42 0.00 0.08 -1.26 -2.28 117.98 116.45 1i5k s PHE 62 Ca 0.21 0.53 -0.22 0.00 0.12 0.00 0.00 56.93 57.57 1i5k s PHE 62 Cb -0.04 -1.98 -0.10 0.00 -0.57 0.00 0.00 43.02 40.34 1i5k s PHE 62 CO 0.08 0.69 0.98 0.99 -0.10 0.00 0.00 175.22 177.86 1i5k s THR 63 N -0.89 4.15 -0.63 0.64 2.01 -0.18 0.16 115.64 120.89 1i5k s THR 63 Ca 0.15 1.43 0.26 0.00 0.31 0.00 0.00 61.69 63.83 1i5k s THR 63 Cb -0.12 -3.63 0.30 0.00 0.01 0.00 0.00 72.50 69.05 1i5k s THR 63 CO 0.04 -0.20 1.75 0.71 -0.69 0.00 0.00 174.62 176.23 1i5k h THR 64 N 1.96 0.00 -3.07 -0.82 1.35 -1.64 -3.41 112.91 107.29 1i5k h THR 64 Ca -0.49 -0.55 -0.55 0.00 -0.55 0.00 0.00 66.41 64.27 1i5k h THR 64 Cb 1.19 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.12 1i5k h THR 64 CO 0.61 0.00 0.73 -0.62 -0.25 0.00 0.00 175.52 175.99 1i5k s ASP 65 N -4.85 7.04 0.34 5.36 3.68 -1.26 -4.70 116.67 122.29 1i5k s ASP 65 Ca 0.09 1.78 0.03 0.00 2.13 0.00 0.00 52.55 56.58 1i5k s ASP 65 Cb 0.11 -2.55 0.64 0.00 -1.45 0.00 0.00 42.92 39.66 1i5k s ASP 65 CO 0.59 -0.60 1.95 -0.65 0.13 0.00 0.00 175.17 176.59 1i5k h PRO 66 N 7.55 0.85 0.00 4.34 0.11 -1.94 -2.18 132.00 140.72 1i5k h PRO 66 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1i5k h PRO 66 Cb 1.15 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1i5k h PRO 66 CO 0.89 0.56 0.00 0.09 -0.21 0.00 0.00 178.00 179.34 1i5k n ASN 67 N -4.47 0.78 -4.13 -2.05 4.13 -1.26 -4.57 115.26 103.69 1i5k n ASN 67 Ca 0.11 0.58 -0.36 0.00 1.68 0.00 0.00 54.58 56.59 1i5k n ASN 67 Cb 0.18 -0.79 -0.12 0.00 -1.54 0.00 0.00 39.78 37.51 1i5k n ASN 67 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1i5k s LYS 68 N -3.11 2.04 0.11 3.52 2.47 -0.82 -4.98 119.74 118.96 1i5k s LYS 68 Ca 0.10 -1.75 -0.28 0.00 -1.56 0.00 0.00 55.97 52.49 1i5k s LYS 68 Cb 0.12 -3.52 -0.09 0.00 -1.46 0.00 0.00 37.83 32.88 1i5k s LYS 68 CO 0.58 -1.01 1.64 -0.09 0.16 0.00 0.00 175.35 176.63 1i5k h ARG 69 N 8.03 -0.49 -3.09 4.03 2.43 -1.81 -3.29 114.38 120.19 1i5k h ARG 69 Ca -0.14 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1i5k h ARG 69 Cb 1.05 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 30.56 1i5k h ARG 69 CO 0.67 -0.33 -0.08 1.67 -1.51 0.00 0.00 179.97 180.39 1i5k s TRP 70 N -6.05 -0.27 0.12 2.20 1.48 -1.26 -1.01 118.94 114.15 1i5k s TRP 70 Ca -0.16 0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.05 1i5k s TRP 70 Cb 0.07 0.25 -0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1i5k s TRP 70 CO 0.65 -0.61 0.03 -2.00 -4.06 0.00 0.00 176.95 170.96 1i5k s GLU 71 N -2.81 0.90 0.38 3.25 2.12 -0.96 -4.89 118.70 116.68 1i5k s GLU 71 Ca -0.03 -1.41 -0.14 0.00 0.36 0.00 0.00 54.97 53.75 1i5k s GLU 71 Cb -0.00 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.48 1i5k s GLU 71 CO -0.05 -0.22 0.79 0.71 -0.54 0.00 0.00 175.26 175.95 1i5k s TYR 72 N -3.98 3.41 0.44 5.30 2.02 -1.26 -1.98 117.35 121.30 1i5k s TYR 72 Ca 0.21 1.20 0.08 0.00 -0.37 0.00 0.00 57.07 58.19 1i5k s TYR 72 Cb 0.07 -2.54 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1i5k s TYR 72 CO 0.00 -0.04 0.55 0.00 -1.57 0.00 0.00 175.55 174.49 1i5k s ASP 74 N -4.34 5.02 -0.17 0.00 -1.08 -1.26 -4.61 116.67 110.23 1i5k s ASP 74 Ca 0.54 -2.40 -0.08 0.00 -0.52 0.00 0.00 52.55 50.08 1i5k s ASP 74 Cb -0.08 -1.77 -0.04 0.00 -1.46 0.00 0.00 42.92 39.56 1i5k s ASP 74 CO 0.32 -0.42 0.11 -0.63 0.52 0.00 0.00 175.17 175.07 1i5k s ILE 75 N 0.59 5.25 -0.01 4.11 -1.09 -1.26 -4.99 121.20 123.80 1i5k s ILE 75 Ca 0.12 0.13 -0.32 0.00 -2.23 0.00 0.00 60.65 58.35 1i5k s ILE 75 Cb -0.22 -3.36 -0.10 0.00 -1.58 0.00 0.00 42.46 37.20 1i5k s ILE 75 CO -0.04 0.49 1.93 -2.65 -1.23 0.00 0.00 174.94 173.44 1i5k n PRO 76 N 3.11 2.59 -2.32 2.79 -0.02 -1.26 -4.68 135.00 135.21 1i5k n PRO 76 Ca -0.17 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1i5k n PRO 76 Cb 0.53 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1i5k n PRO 76 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1i5k s ARG 77 N 4.18 4.50 0.00 -0.52 3.52 -1.26 0.13 118.95 129.50 1i5k s ARG 77 Ca 0.90 1.97 0.31 0.00 -0.13 0.00 0.00 55.73 58.79 1i5k s ARG 77 Cb -0.54 -3.16 1.76 0.00 -1.56 0.00 0.00 34.95 31.45 1i5k s ARG 77 CO 0.46 -0.01 2.15 0.00 -0.81 0.00 0.00 175.30 177.08