#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6k s SER 39 N 0.00 6.32 -0.10 3.14 0.15 -1.26 -4.92 113.70 117.02 1h6k s SER 39 Ca 0.00 2.68 0.15 0.00 0.70 0.00 0.00 55.95 59.48 1h6k s SER 39 Cb 0.00 -2.64 0.23 0.00 -1.71 0.00 0.00 66.02 61.90 1h6k s SER 39 CO 0.00 -0.85 1.12 0.00 1.20 0.00 0.00 173.24 174.71 1h6k s THR 41 N -2.45 2.33 0.02 0.00 2.01 -1.26 -0.55 115.64 115.74 1h6k s THR 41 Ca 0.26 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1h6k s THR 41 Cb 0.22 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1h6k s THR 41 CO 0.02 0.53 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.50 1h6k s LEU 42 N -0.80 2.12 0.23 4.42 1.43 -0.03 -1.33 118.68 124.71 1h6k s LEU 42 Ca 0.11 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1h6k s LEU 42 Cb -0.10 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 1h6k s LEU 42 CO 0.00 0.22 0.92 -0.31 0.23 0.00 0.00 176.35 177.42 1h6k s TYR 43 N -0.68 3.97 -0.10 0.29 1.51 0.32 -1.02 117.35 121.65 1h6k s TYR 43 Ca 0.09 1.89 0.03 0.00 -1.01 0.00 0.00 57.07 58.06 1h6k s TYR 43 Cb -0.09 -2.96 0.01 0.00 -0.11 0.00 0.00 41.96 38.81 1h6k s TYR 43 CO 0.01 0.46 -0.20 0.08 -1.11 0.00 0.00 175.55 174.79 1h6k s VAL 44 N -1.19 1.76 0.31 0.71 1.01 0.12 -2.01 120.40 121.11 1h6k s VAL 44 Ca 0.41 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1h6k s VAL 44 Cb -0.26 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1h6k s VAL 44 CO 0.31 0.49 -0.03 -0.83 0.00 0.00 0.00 175.10 175.05 1h6k s GLY 45 N 0.56 2.00 -0.77 4.51 0.00 0.19 -1.61 107.32 112.20 1h6k s GLY 45 Ca -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.57 1h6k s GLY 45 CO 0.05 -1.88 0.00 -2.01 0.00 0.00 0.00 173.10 169.26 1h6k n ASN 46 N -0.67 -3.79 -4.77 1.64 5.15 -0.85 -1.51 115.26 110.46 1h6k n ASN 46 Ca -0.05 0.17 -0.37 0.00 -0.60 0.00 0.00 54.58 53.73 1h6k n ASN 46 Cb 0.65 -2.03 -0.01 0.00 -0.53 0.00 0.00 39.78 37.85 1h6k n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h6k s LEU 47 N -1.71 3.99 0.71 1.20 1.43 -0.53 -4.72 118.68 119.05 1h6k s LEU 47 Ca 0.00 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1h6k s LEU 47 Cb 0.00 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 41.96 1h6k s LEU 47 CO 0.00 -0.89 1.12 -0.94 0.23 0.00 0.00 176.35 175.88 1h6k s SER 48 N -1.46 4.69 0.44 2.29 1.04 -1.26 -4.30 113.70 115.14 1h6k s SER 48 Ca 0.64 2.04 0.10 0.00 0.48 0.00 0.00 55.95 59.20 1h6k s SER 48 Cb -0.27 -2.55 0.96 0.00 0.10 0.00 0.00 66.02 64.26 1h6k s SER 48 CO 0.32 -1.91 2.08 0.15 0.98 0.00 0.00 173.24 174.86 1h6k h PHE 49 N -0.38 0.39 -0.01 5.02 3.57 -1.98 -2.37 116.94 121.18 1h6k h PHE 49 Ca -0.46 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1h6k h PHE 49 Cb 1.25 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1h6k h PHE 49 CO 0.54 0.24 -0.14 2.48 -2.23 0.00 0.00 178.31 179.20 1h6k n TYR 50 N -4.49 0.00 -1.86 0.41 -0.00 -1.26 -4.91 117.16 105.05 1h6k n TYR 50 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.50 1h6k n TYR 50 Cb 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.34 39.35 1h6k n TYR 50 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1h6k s THR 51 N -2.26 2.33 0.36 -3.48 2.01 -0.89 -4.99 115.64 108.72 1h6k s THR 51 Ca 0.30 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.64 1h6k s THR 51 Cb 0.20 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1h6k s THR 51 CO 0.43 0.03 0.27 0.42 -0.69 0.00 0.00 174.62 175.08 1h6k s THR 52 N 0.51 3.19 0.37 -0.82 -4.23 -1.26 -4.98 115.64 108.42 1h6k s THR 52 Ca 0.66 -1.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1h6k s THR 52 Cb -0.46 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1h6k s THR 52 CO 0.40 -0.14 2.02 -0.08 -0.54 0.00 0.00 174.62 176.28 1h6k h GLU 53 N 1.28 0.72 -0.40 3.99 4.81 -1.99 -1.68 114.58 121.31 1h6k h GLU 53 Ca -0.44 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1h6k h GLU 53 Cb 1.26 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1h6k h GLU 53 CO 0.60 0.47 0.18 0.93 -0.73 0.00 0.00 179.01 180.46 1h6k h GLU 54 N 0.74 0.59 -0.48 1.92 3.07 -1.99 0.21 114.58 118.65 1h6k h GLU 54 Ca 0.22 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1h6k h GLU 54 Cb -0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1h6k h GLU 54 CO -0.05 0.53 -0.05 1.96 -1.40 0.00 0.00 179.01 180.00 1h6k h GLN 55 N 0.51 0.83 -0.45 2.33 4.20 -1.84 -1.23 115.11 119.46 1h6k h GLN 55 Ca 0.14 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1h6k h GLN 55 Cb 0.15 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1h6k h GLN 55 CO -0.01 0.86 -0.06 0.82 -0.67 0.00 0.00 178.83 179.76 1h6k h ILE 56 N 0.76 1.27 -0.38 2.54 1.08 -0.97 -1.30 117.51 120.51 1h6k h ILE 56 Ca 0.14 -1.15 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 1h6k h ILE 56 Cb 0.53 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 1h6k h ILE 56 CO 0.03 0.40 0.07 1.88 -0.69 0.00 0.00 178.15 179.84 1h6k h TYR 57 N 0.67 0.12 -0.03 1.37 0.05 -0.32 0.03 116.97 118.85 1h6k h TYR 57 Ca 0.12 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1h6k h TYR 57 Cb 0.59 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 1h6k h TYR 57 CO 0.05 0.01 0.02 1.49 -1.05 0.00 0.00 178.16 178.67 1h6k h GLU 58 N 0.20 0.05 0.21 4.88 4.57 -0.90 -1.41 114.58 122.17 1h6k h GLU 58 Ca 0.18 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1h6k h GLU 58 Cb 0.22 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1h6k h GLU 58 CO -0.24 0.16 -0.10 1.25 -1.18 0.00 0.00 179.01 178.90 1h6k h LEU 59 N -0.08 -0.23 -1.08 1.64 5.85 -1.06 -3.24 115.31 117.12 1h6k h LEU 59 Ca 0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1h6k h LEU 59 Cb 0.13 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1h6k h LEU 59 CO -0.00 0.04 0.00 -0.26 -0.34 0.00 0.00 178.44 177.88 1h6k h PHE 60 N -0.52 0.00 0.00 1.25 -1.00 -1.02 -2.45 116.94 113.21 1h6k h PHE 60 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1h6k h PHE 60 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1h6k h PHE 60 CO 0.01 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.14 1h6k n SER 61 N -3.00 0.35 0.18 2.17 7.64 -0.53 -2.59 113.62 117.83 1h6k n SER 61 Ca 0.02 0.59 0.14 0.00 1.01 0.00 0.00 58.87 60.62 1h6k n SER 61 Cb 0.35 -0.66 0.56 0.00 -1.01 0.00 0.00 64.21 63.44 1h6k n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1h6k h LYS 62 N 0.00 0.00 -0.01 1.43 1.57 -1.56 -2.70 116.57 115.30 1h6k h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h6k h LYS 62 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1h6k h LYS 62 CO 0.00 0.00 -0.17 -1.13 -0.57 0.00 0.00 179.45 177.58 1h6k n SER 63 N -2.50 1.79 0.00 0.86 3.41 -1.07 -5.07 113.62 111.04 1h6k n SER 63 Ca 0.02 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1h6k n SER 63 Cb 0.25 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1h6k n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h6k n GLY 64 N 0.97 -0.01 3.69 5.00 0.00 -1.02 -4.48 105.19 109.35 1h6k n GLY 64 Ca 0.07 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1h6k n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h6k s ASP 65 N 0.00 7.13 -0.19 1.61 -0.00 -1.26 -4.25 116.67 119.71 1h6k s ASP 65 Ca 0.00 1.75 -0.17 0.00 -0.00 0.00 0.00 52.55 54.12 1h6k s ASP 65 Cb 0.00 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1h6k s ASP 65 CO 0.00 -0.52 0.46 -0.63 -0.00 0.00 0.00 175.17 174.48 1h6k s ILE 66 N 1.98 5.16 -0.06 0.77 1.01 -1.26 -3.11 121.20 125.69 1h6k s ILE 66 Ca 0.54 0.84 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 1h6k s ILE 66 Cb -0.23 -3.79 -0.27 0.00 0.01 0.00 0.00 42.46 38.18 1h6k s ILE 66 CO 0.22 0.23 0.94 0.50 0.00 0.00 0.00 174.94 176.83 1h6k h LYS 67 N 7.31 0.23 -2.59 2.79 3.64 -0.73 -3.47 116.57 123.75 1h6k h LYS 67 Ca -0.36 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 58.61 1h6k h LYS 67 Cb 1.16 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.88 1h6k h LYS 67 CO 0.73 1.09 -0.11 0.21 -2.27 0.00 0.00 179.45 179.10 1h6k s LYS 68 N -2.69 0.71 -0.06 1.90 2.20 -0.94 -5.00 119.74 115.86 1h6k s LYS 68 Ca -0.15 0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1h6k s LYS 68 Cb 0.01 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1h6k s LYS 68 CO 0.78 -0.16 -0.17 0.42 -0.36 0.00 0.00 175.35 175.85 1h6k s ILE 69 N -0.60 1.46 -0.18 5.43 1.01 -1.26 -0.02 121.20 127.05 1h6k s ILE 69 Ca -0.07 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1h6k s ILE 69 Cb -0.03 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1h6k s ILE 69 CO 0.04 0.42 -0.14 -0.63 0.00 0.00 0.00 174.94 174.64 1h6k s ILE 70 N 0.24 1.72 0.15 2.92 1.01 -0.47 -4.95 121.20 121.82 1h6k s ILE 70 Ca -0.09 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.40 1h6k s ILE 70 Cb -0.14 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1h6k s ILE 70 CO 0.04 0.34 0.88 -0.04 0.00 0.00 0.00 174.94 176.16 1h6k s MET 71 N 1.40 4.68 0.02 2.79 -1.94 -1.26 -0.09 119.30 124.89 1h6k s MET 71 Ca 0.02 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 1h6k s MET 71 Cb -0.14 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1h6k s MET 71 CO -0.10 0.39 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 1h6k n GLY 72 N 1.92 -3.33 1.14 -0.03 0.00 -0.20 -4.67 105.19 100.02 1h6k n GLY 72 Ca -0.01 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.04 1h6k n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h6k n LEU 73 N 0.00 3.54 -4.34 0.99 4.77 -1.26 -3.99 117.00 116.72 1h6k n LEU 73 Ca 0.00 -1.74 -0.43 0.00 -0.03 0.00 0.00 56.01 53.81 1h6k n LEU 73 Cb 0.00 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1h6k n LEU 73 CO 0.00 0.83 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.24 1h6k s ASP 74 N -1.21 5.93 0.00 -1.43 2.15 -1.26 -4.93 116.67 115.92 1h6k s ASP 74 Ca 0.40 -1.41 0.08 0.00 0.43 0.00 0.00 52.55 52.05 1h6k s ASP 74 Cb 0.22 -2.10 0.48 0.00 -0.30 0.00 0.00 42.92 41.22 1h6k s ASP 74 CO 0.30 -0.60 1.12 1.17 -0.17 0.00 0.00 175.17 176.99 1h6k n LYS 75 N 5.08 0.78 0.00 4.34 4.81 -1.26 -4.94 118.16 126.97 1h6k n LYS 75 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1h6k n LYS 75 Cb 0.43 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1h6k n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1h6k n MET 76 N -0.66 5.38 0.00 1.64 2.81 -1.26 -5.13 117.12 119.90 1h6k n MET 76 Ca 0.06 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1h6k n MET 76 Cb 0.03 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1h6k n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h6k n GLY 82 N -1.61 0.56 3.41 0.00 0.00 -1.26 -4.85 105.19 101.43 1h6k n GLY 82 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1h6k n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h6k s PHE 83 N -2.01 2.15 0.25 1.61 0.08 -1.26 -1.45 117.98 117.36 1h6k s PHE 83 Ca 0.00 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 1h6k s PHE 83 Cb 0.00 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1h6k s PHE 83 CO 0.00 0.50 0.61 0.00 -0.10 0.00 0.00 175.22 176.24 1h6k s PHE 85 N -3.93 2.65 -0.20 0.00 0.40 0.86 -0.71 117.98 117.06 1h6k s PHE 85 Ca 0.14 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1h6k s PHE 85 Cb -0.03 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.89 1h6k s PHE 85 CO 0.05 0.07 -0.14 0.08 0.70 0.00 0.00 175.22 175.99 1h6k s VAL 86 N -0.52 1.87 -0.17 -0.44 1.01 -0.18 -1.36 120.40 120.60 1h6k s VAL 86 Ca 0.07 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1h6k s VAL 86 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1h6k s VAL 86 CO 0.01 0.26 0.01 -0.70 0.00 0.00 0.00 175.10 174.68 1h6k s GLU 87 N 1.31 3.81 0.28 2.72 2.12 0.98 -0.85 118.70 129.06 1h6k s GLU 87 Ca -0.01 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 54.95 1h6k s GLU 87 Cb -0.16 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1h6k s GLU 87 CO -0.09 0.25 0.30 0.71 -0.54 0.00 0.00 175.26 175.88 1h6k s TYR 88 N 0.40 3.16 0.14 5.30 2.02 0.29 -0.03 117.35 128.62 1h6k s TYR 88 Ca -0.01 -0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1h6k s TYR 88 Cb -0.13 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1h6k s TYR 88 CO 0.02 0.36 1.35 1.88 -1.57 0.00 0.00 175.55 177.59 1h6k h TYR 89 N 1.28 0.75 -4.05 2.71 0.05 -1.84 -3.43 116.97 112.44 1h6k h TYR 89 Ca -0.48 -0.35 -0.69 0.00 0.05 0.00 0.00 58.73 57.25 1h6k h TYR 89 Cb 1.24 -0.11 -0.23 0.00 1.01 0.00 0.00 36.73 38.64 1h6k h TYR 89 CO 0.50 1.15 -0.86 -1.54 -1.05 0.00 0.00 178.16 176.36 1h6k s SER 90 N -7.06 3.37 0.20 3.88 1.04 -1.26 -5.03 113.70 108.84 1h6k s SER 90 Ca -0.07 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.63 1h6k s SER 90 Cb 0.09 -0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.03 1h6k s SER 90 CO 0.87 0.22 1.77 -0.09 0.98 0.00 0.00 173.24 176.99 1h6k h ARG 91 N 4.28 1.08 -0.89 4.02 9.65 -1.88 -2.86 114.38 127.79 1h6k h ARG 91 Ca -0.49 -0.18 0.09 0.00 -1.10 0.00 0.00 59.98 58.31 1h6k h ARG 91 Cb 1.16 -0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 29.49 1h6k h ARG 91 CO 0.42 0.87 0.57 0.00 2.80 0.00 0.00 179.97 184.64 1h6k h ALA 92 N 1.16 1.63 -0.20 2.80 0.00 -1.96 -0.51 119.26 122.19 1h6k h ALA 92 Ca 0.25 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1h6k h ALA 92 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h6k h ALA 92 CO -0.03 0.19 -0.51 -0.44 0.00 0.00 0.00 179.25 178.47 1h6k h ASP 93 N 0.89 0.59 -0.46 0.00 3.32 -1.73 -1.69 116.42 117.33 1h6k h ASP 93 Ca 0.41 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 1h6k h ASP 93 Cb 0.39 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1h6k h ASP 93 CO -0.17 0.99 -0.21 0.00 -1.72 0.00 0.00 179.24 178.13 1h6k h ALA 94 N 1.02 0.72 -0.79 3.45 0.00 -1.27 -1.79 119.26 120.59 1h6k h ALA 94 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1h6k h ALA 94 Cb 1.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1h6k h ALA 94 CO 0.09 0.67 0.37 0.93 0.00 0.00 0.00 179.25 181.31 1h6k h GLU 95 N 0.84 1.15 0.00 0.00 5.08 -0.94 -1.68 114.58 119.03 1h6k h GLU 95 Ca 0.11 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1h6k h GLU 95 Cb 0.79 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1h6k h GLU 95 CO 0.07 0.90 -0.42 -0.91 -1.00 0.00 0.00 179.01 177.65 1h6k h ASN 96 N 1.13 0.00 -0.51 1.42 2.35 -1.14 -0.19 115.58 118.64 1h6k h ASN 96 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1h6k h ASN 96 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1h6k h ASN 96 CO -0.03 0.42 0.03 0.00 -1.65 0.00 0.00 177.43 176.20 1h6k h ALA 97 N 1.58 0.68 -0.40 -0.83 0.00 -0.87 0.34 119.26 119.76 1h6k h ALA 97 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1h6k h ALA 97 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1h6k h ALA 97 CO 0.05 0.47 0.12 0.52 0.00 0.00 0.00 179.25 180.41 1h6k h MET 98 N 0.75 0.58 0.09 0.00 2.86 -0.78 0.18 114.93 118.61 1h6k h MET 98 Ca 0.15 -0.09 -0.27 0.00 -2.06 0.00 0.00 59.70 57.43 1h6k h MET 98 Cb 0.48 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1h6k h MET 98 CO 0.02 0.52 -1.17 0.00 1.06 0.00 0.00 176.91 177.34 1h6k h ARG 99 N 0.57 0.46 0.00 1.72 3.08 -0.61 -3.39 114.38 116.21 1h6k h ARG 99 Ca 0.14 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1h6k h ARG 99 Cb 0.18 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1h6k h ARG 99 CO -0.01 1.25 -0.64 0.66 -1.07 0.00 0.00 179.97 180.17 1h6k n TYR 100 N -3.70 0.00 -0.10 3.04 4.01 0.07 -4.81 117.16 115.68 1h6k n TYR 100 Ca -0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 1h6k n TYR 100 Cb 0.96 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.87 1h6k n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1h6k n ILE 101 N -1.06 1.58 -1.57 -0.72 2.08 0.55 -4.76 119.36 115.46 1h6k n ILE 101 Ca 0.00 -0.43 -0.49 0.00 0.56 0.00 0.00 62.75 62.39 1h6k n ILE 101 Cb 0.00 -1.74 -0.04 0.00 -0.75 0.00 0.00 39.64 37.11 1h6k n ILE 101 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1h6k n ASN 102 N -3.81 1.22 0.00 4.38 5.15 -0.61 -1.59 115.26 119.99 1h6k n ASN 102 Ca -0.42 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1h6k n ASN 102 Cb 0.92 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1h6k n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h6k n GLY 103 N 1.96 0.46 2.81 8.20 0.00 -0.38 -4.92 105.19 113.31 1h6k n GLY 103 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1h6k n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h6k n THR 104 N -2.91 0.00 -3.93 2.61 -2.24 -0.62 -4.82 114.28 102.36 1h6k n THR 104 Ca 0.00 -1.76 -0.32 0.00 -2.27 0.00 0.00 64.05 59.70 1h6k n THR 104 Cb 0.04 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1h6k n THR 104 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1h6k s ARG 105 N -3.51 3.38 -0.12 -0.78 0.52 -1.26 -1.23 118.95 115.96 1h6k s ARG 105 Ca 0.09 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1h6k s ARG 105 Cb -0.01 -3.03 0.06 0.00 0.52 0.00 0.00 34.95 32.49 1h6k s ARG 105 CO 0.05 0.63 0.24 -1.17 0.02 0.00 0.00 175.30 175.08 1h6k s LEU 106 N -2.24 -0.17 -1.47 2.53 2.96 -0.48 -4.80 118.68 115.01 1h6k s LEU 106 Ca 0.31 0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 54.64 1h6k s LEU 106 Cb -0.13 0.63 0.06 0.00 0.50 0.00 0.00 46.19 47.25 1h6k s LEU 106 CO 0.23 -0.23 1.04 -0.67 -1.32 0.00 0.00 176.35 175.40 1h6k n ASP 107 N 5.20 -5.46 -0.37 3.68 -0.08 -1.26 -1.58 116.55 116.68 1h6k n ASP 107 Ca -0.08 -0.66 -0.05 0.00 -1.51 0.00 0.00 54.79 52.48 1h6k n ASP 107 Cb 0.50 -4.33 -0.02 0.00 2.34 0.00 0.00 41.12 39.61 1h6k n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1h6k n ASP 108 N -2.88 -5.86 -4.69 1.67 2.03 -1.26 -4.90 116.55 100.65 1h6k n ASP 108 Ca 0.03 0.12 -0.35 0.00 0.52 0.00 0.00 54.79 55.10 1h6k n ASP 108 Cb 0.54 -3.79 -0.09 0.00 -0.72 0.00 0.00 41.12 37.06 1h6k n ASP 108 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1h6k s ARG 109 N -2.39 3.36 -0.38 -0.67 0.52 -0.61 -5.00 118.95 113.77 1h6k s ARG 109 Ca 0.00 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.57 1h6k s ARG 109 Cb 0.00 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.50 1h6k s ARG 109 CO 0.00 0.58 1.38 0.42 0.02 0.00 0.00 175.30 177.70 1h6k s ILE 110 N -0.51 3.97 0.47 1.52 1.01 -1.26 -1.38 121.20 125.02 1h6k s ILE 110 Ca 0.10 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.73 1h6k s ILE 110 Cb -0.12 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1h6k s ILE 110 CO 0.02 -0.68 0.77 0.27 0.00 0.00 0.00 174.94 175.31 1h6k s ILE 111 N 5.11 4.89 -0.04 2.92 -4.36 -0.36 -4.83 121.20 124.54 1h6k s ILE 111 Ca 0.60 0.13 0.04 0.00 -0.26 0.00 0.00 60.65 61.16 1h6k s ILE 111 Cb -0.14 -3.85 -0.00 0.00 1.25 0.00 0.00 42.46 39.71 1h6k s ILE 111 CO 0.30 -0.81 -0.16 -0.13 0.24 0.00 0.00 174.94 174.38 1h6k s ARG 112 N -4.71 1.59 0.18 0.37 0.52 -0.57 -1.25 118.95 115.08 1h6k s ARG 112 Ca 0.47 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.22 1h6k s ARG 112 Cb -0.10 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 1h6k s ARG 112 CO 0.44 0.23 -0.19 0.95 0.02 0.00 0.00 175.30 176.75 1h6k s THR 113 N 0.02 2.00 0.06 0.02 -4.23 -1.26 0.56 115.64 112.80 1h6k s THR 113 Ca -0.03 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.21 1h6k s THR 113 Cb -0.10 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.85 1h6k s THR 113 CO 0.02 -0.30 0.65 -0.62 -0.54 0.00 0.00 174.62 173.83 1h6k s ASP 114 N -2.79 -0.59 0.34 3.99 2.15 -0.85 -4.99 116.67 113.93 1h6k s ASP 114 Ca 0.19 0.30 -0.29 0.00 0.43 0.00 0.00 52.55 53.18 1h6k s ASP 114 Cb -0.06 0.56 -0.11 0.00 -0.30 0.00 0.00 42.92 43.02 1h6k s ASP 114 CO 0.08 -0.80 1.42 0.26 -0.17 0.00 0.00 175.17 175.97 1h6k s TRP 115 N -2.63 2.81 -0.74 -5.34 0.52 -1.26 -0.52 118.94 111.78 1h6k s TRP 115 Ca -0.04 1.22 -0.12 0.00 0.02 0.00 0.00 56.10 57.18 1h6k s TRP 115 Cb -0.01 -3.88 0.19 0.00 -1.15 0.00 0.00 33.47 28.63 1h6k s TRP 115 CO -0.03 -2.57 0.66 0.34 0.02 0.00 0.00 176.95 175.36 1h6k s ASP 116 N -0.18 6.41 0.00 2.95 3.68 -0.44 -4.68 116.67 124.40 1h6k s ASP 116 Ca 0.53 -2.54 0.00 0.00 2.13 0.00 0.00 52.55 52.66 1h6k s ASP 116 Cb -0.44 -2.15 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 1h6k s ASP 116 CO 0.56 -0.59 0.00 0.00 0.13 0.00 0.00 175.17 175.27 1h6k n ALA 117 N 4.14 0.00 -0.85 3.66 0.00 -1.26 -4.59 120.51 121.61 1h6k n ALA 117 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1h6k n ALA 117 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1h6k n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91