#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h62 n PHE 35 N 0.00 0.00 -4.87 6.00 3.72 -1.23 -5.02 117.46 116.06 2h62 n PHE 35 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 2h62 n PHE 35 Cb 0.00 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.07 2h62 n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2h62 s LEU 36 N -4.14 2.65 -0.03 4.37 2.96 -0.74 -4.90 118.68 118.85 2h62 s LEU 36 Ca -0.04 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2h62 s LEU 36 Cb 0.05 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2h62 s LEU 36 CO 0.39 0.23 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.82 2h62 s LYS 37 N -0.01 2.61 0.05 1.98 2.20 -1.26 -0.47 119.74 124.84 2h62 s LYS 37 Ca -0.04 -0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2h62 s LYS 37 Cb -0.14 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.63 2h62 s LYS 37 CO 0.04 0.63 -0.04 0.00 -0.36 0.00 0.00 175.35 175.62 2h62 s TYR 39 N -3.13 3.33 0.02 0.00 2.02 -1.26 -1.08 117.35 117.24 2h62 s TYR 39 Ca 0.01 1.53 0.01 0.00 -0.37 0.00 0.00 57.07 58.25 2h62 s TYR 39 Cb 0.02 -2.85 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 2h62 s TYR 39 CO -0.06 -0.37 -0.03 0.00 -1.57 0.00 0.00 175.55 173.51 2h62 s SER 41 N -0.97 -1.16 0.00 0.00 0.15 -0.29 -4.67 113.70 106.77 2h62 s SER 41 Ca -0.09 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.11 2h62 s SER 41 Cb -0.07 2.30 0.00 0.00 -1.71 0.00 0.00 66.02 66.55 2h62 s SER 41 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2h62 n GLY 42 N 5.45 2.69 0.40 9.45 0.00 -1.26 -1.29 105.19 120.63 2h62 n GLY 42 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 2h62 n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2h62 n HIS 43 N -0.31 0.07 -2.44 1.61 8.25 -1.24 -5.02 115.22 116.14 2h62 n HIS 43 Ca 0.00 -1.27 -0.37 0.00 -0.26 0.00 0.00 57.72 55.82 2h62 n HIS 43 Cb 0.00 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 2h62 n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h62 s PRO 45 N -2.40 0.95 0.39 0.00 0.04 -1.26 -4.95 135.00 127.77 2h62 s PRO 45 Ca 0.57 -0.22 0.18 0.00 0.04 0.00 0.00 61.00 61.57 2h62 s PRO 45 Cb -0.26 -1.86 0.81 0.00 0.04 0.00 0.00 34.50 33.23 2h62 s PRO 45 CO 0.32 -2.24 1.82 -0.44 0.04 0.00 0.00 177.00 176.50 2h62 h ASP 46 N -1.52 0.00 -0.41 6.66 3.32 -2.01 -2.80 116.42 119.66 2h62 h ASP 46 Ca -0.45 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 2h62 h ASP 46 Cb 1.27 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 2h62 h ASP 46 CO 0.47 0.34 0.18 -0.90 -1.72 0.00 0.00 179.24 177.62 2h62 n ASP 47 N -3.76 3.42 -4.74 6.45 3.85 -1.26 -4.94 116.55 115.57 2h62 n ASP 47 Ca -0.01 -2.67 -0.41 0.00 -0.71 0.00 0.00 54.79 50.99 2h62 n ASP 47 Cb 0.43 -0.64 -0.04 0.00 -1.35 0.00 0.00 41.12 39.52 2h62 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2h62 s ALA 48 N -1.79 3.35 -0.05 2.12 0.00 -1.06 -5.01 121.76 119.32 2h62 s ALA 48 Ca 0.29 0.77 0.05 0.00 0.00 0.00 0.00 51.96 53.07 2h62 s ALA 48 Cb 0.23 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2h62 s ALA 48 CO 0.07 -0.16 -0.20 0.42 0.00 0.00 0.00 175.76 175.88 2h62 s ILE 49 N -0.26 1.70 -1.34 0.00 1.01 -1.17 -4.71 121.20 116.42 2h62 s ILE 49 Ca 0.49 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2h62 s ILE 49 Cb -0.28 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.76 2h62 s ILE 49 CO 0.34 0.48 0.34 0.59 0.00 0.00 0.00 174.94 176.69 2h62 n ASN 50 N 3.09 -4.65 -3.60 3.58 3.02 -1.26 -1.38 115.26 114.06 2h62 n ASN 50 Ca -0.18 -0.16 -0.26 0.00 -0.03 0.00 0.00 54.58 53.95 2h62 n ASN 50 Cb 0.53 -3.84 0.04 0.00 -0.61 0.00 0.00 39.78 35.90 2h62 n ASN 50 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h62 n ASN 51 N -2.20 -5.46 -4.22 6.41 4.13 -1.26 -4.96 115.26 107.70 2h62 n ASN 51 Ca -0.10 -0.58 -0.15 0.00 1.68 0.00 0.00 54.58 55.43 2h62 n ASN 51 Cb 0.60 -4.35 -0.11 0.00 -1.54 0.00 0.00 39.78 34.38 2h62 n ASN 51 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2h62 s THR 52 N -3.25 1.12 0.07 3.41 -4.23 -0.48 -1.12 115.64 111.16 2h62 s THR 52 Ca 0.55 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2h62 s THR 52 Cb -0.26 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 2h62 s THR 52 CO 0.68 -0.60 -0.05 0.00 -0.54 0.00 0.00 174.62 174.11 2h62 s ILE 54 N -3.48 3.92 0.23 0.00 -1.09 -1.26 -1.24 121.20 118.28 2h62 s ILE 54 Ca 0.07 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 2h62 s ILE 54 Cb 0.05 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 2h62 s ILE 54 CO -0.06 0.59 0.42 0.28 -1.23 0.00 0.00 174.94 174.93 2h62 s THR 55 N -0.65 0.01 -0.57 2.92 -1.32 0.38 -5.01 115.64 111.39 2h62 s THR 55 Ca 0.10 -1.46 0.06 0.00 -1.21 0.00 0.00 61.69 59.18 2h62 s THR 55 Cb -0.12 -2.19 0.11 0.00 -1.51 0.00 0.00 72.50 68.80 2h62 s THR 55 CO 0.02 -0.03 0.95 0.59 -2.21 0.00 0.00 174.62 173.94 2h62 n ASN 56 N -0.35 2.07 0.00 8.08 3.02 -1.26 -1.79 115.26 125.03 2h62 n ASN 56 Ca -0.02 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 2h62 n ASN 56 Cb 0.63 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2h62 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h62 n GLY 57 N 0.15 0.31 3.17 7.41 0.00 -1.24 -4.59 105.19 110.40 2h62 n GLY 57 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2h62 n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h62 s HIS 58 N 0.97 0.94 0.17 1.61 3.76 -0.11 -4.85 115.29 117.76 2h62 s HIS 58 Ca 0.00 -1.20 0.04 0.00 -0.15 0.00 0.00 55.06 53.75 2h62 s HIS 58 Cb 0.00 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 2h62 s HIS 58 CO 0.00 -0.47 0.21 0.00 -0.85 0.00 0.00 174.74 173.63 2h62 s PHE 60 N -1.78 0.10 0.02 0.00 -0.12 -0.87 -1.03 117.98 114.30 2h62 s PHE 60 Ca 0.33 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 2h62 s PHE 60 Cb -0.10 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 2h62 s PHE 60 CO 0.26 -0.53 -0.04 0.00 -0.05 0.00 0.00 175.22 174.86 2h62 s ALA 61 N -3.54 0.23 -0.05 1.99 0.00 -0.41 -2.11 121.76 117.87 2h62 s ALA 61 Ca 0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 2h62 s ALA 61 Cb 0.03 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2h62 s ALA 61 CO -0.09 -0.07 0.20 -1.50 0.00 0.00 0.00 175.76 174.29 2h62 s ILE 62 N -1.01 0.03 -0.07 0.00 2.07 -0.56 -0.40 121.20 121.26 2h62 s ILE 62 Ca -0.10 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 2h62 s ILE 62 Cb -0.07 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2h62 s ILE 62 CO -0.00 -0.12 -0.24 -0.51 -1.91 0.00 0.00 174.94 172.16 2h62 s ILE 63 N -0.40 2.16 0.01 2.00 2.07 -0.42 -1.60 121.20 125.02 2h62 s ILE 63 Ca -0.05 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 2h62 s ILE 63 Cb -0.03 -1.79 -0.01 0.00 0.13 0.00 0.00 42.46 40.75 2h62 s ILE 63 CO 0.01 0.57 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.96 2h62 s GLU 64 N -0.10 0.32 -0.25 3.50 2.02 -0.46 -1.01 118.70 122.70 2h62 s GLU 64 Ca -0.05 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2h62 s GLU 64 Cb -0.14 -0.20 0.03 0.00 0.10 0.00 0.00 34.13 33.92 2h62 s GLU 64 CO 0.04 0.05 -0.06 -2.00 0.02 0.00 0.00 175.26 173.31 2h62 s GLU 65 N -0.60 2.76 0.00 1.61 2.12 -0.11 -1.37 118.70 123.11 2h62 s GLU 65 Ca -0.04 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.26 2h62 s GLU 65 Cb -0.04 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.35 2h62 s GLU 65 CO -0.00 -0.43 0.00 -0.40 -0.54 0.00 0.00 175.26 173.89 2h62 n ASP 66 N 4.65 -0.13 -0.33 -1.70 5.68 -0.65 -3.94 116.55 120.13 2h62 n ASP 66 Ca -0.16 -0.47 0.21 0.00 -0.50 0.00 0.00 54.79 53.87 2h62 n ASP 66 Cb 0.46 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.85 2h62 n ASP 66 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2h62 h ASP 67 N -0.13 -0.01 -1.77 -1.12 2.03 -2.00 -3.39 116.42 110.03 2h62 h ASP 67 Ca 0.00 0.25 -0.43 0.00 -0.73 0.00 0.00 57.03 56.12 2h62 h ASP 67 Cb 0.00 0.33 0.03 0.00 -0.83 0.00 0.00 39.33 38.86 2h62 h ASP 67 CO 0.00 -0.32 -0.18 0.00 -1.03 0.00 0.00 179.24 177.71 2h62 s GLN 68 N -5.79 2.72 0.00 4.15 1.03 -1.26 -4.93 119.66 115.57 2h62 s GLN 68 Ca -0.11 -1.11 0.00 0.00 0.04 0.00 0.00 55.36 54.18 2h62 s GLN 68 Cb 0.30 -2.67 0.00 0.00 0.03 0.00 0.00 33.01 30.67 2h62 s GLN 68 CO 0.78 -0.43 0.17 0.41 -2.54 0.00 0.00 175.29 173.68 2h62 n GLY 69 N -2.02 -0.12 3.65 2.60 0.00 -1.26 -4.76 105.19 103.28 2h62 n GLY 69 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2h62 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h62 s GLU 70 N -1.87 4.06 -0.04 1.61 2.02 -1.26 -4.86 118.70 118.36 2h62 s GLU 70 Ca 0.00 2.16 -0.04 0.00 0.02 0.00 0.00 54.97 57.12 2h62 s GLU 70 Cb 0.00 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 2h62 s GLU 70 CO 0.00 -0.99 0.15 0.99 0.02 0.00 0.00 175.26 175.43 2h62 s THR 71 N 4.49 5.32 0.00 3.63 2.01 -1.26 -1.64 115.64 128.19 2h62 s THR 71 Ca 0.77 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 2h62 s THR 71 Cb -0.33 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2h62 s THR 71 CO 0.32 0.43 0.14 0.42 -0.69 0.00 0.00 174.62 175.23 2h62 s THR 72 N -1.20 0.08 -0.03 -0.82 -4.23 -0.47 -4.98 115.64 103.99 2h62 s THR 72 Ca 0.22 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2h62 s THR 72 Cb -0.12 -0.43 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 2h62 s THR 72 CO 0.13 -0.38 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.92 2h62 s LEU 73 N -1.40 2.74 0.19 4.79 1.43 -1.26 -1.36 118.68 123.80 2h62 s LEU 73 Ca -0.15 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2h62 s LEU 73 Cb -0.08 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2h62 s LEU 73 CO 0.02 0.33 0.21 0.00 0.23 0.00 0.00 176.35 177.13 2h62 s ALA 74 N -0.78 0.60 0.20 4.21 0.00 -0.63 -4.89 121.76 120.46 2h62 s ALA 74 Ca 0.12 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 2h62 s ALA 74 Cb -0.11 1.11 0.05 0.00 0.00 0.00 0.00 23.12 24.17 2h62 s ALA 74 CO 0.02 -0.63 0.79 -1.54 0.00 0.00 0.00 175.76 174.40 2h62 s SER 75 N -3.07 -0.29 0.00 0.00 1.04 -0.41 -1.50 113.70 109.47 2h62 s SER 75 Ca 0.28 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2h62 s SER 75 Cb 0.05 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2h62 s SER 75 CO 0.07 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2h62 n GLY 76 N -0.43 -0.52 3.79 7.32 0.00 -0.90 -1.13 105.19 113.32 2h62 n GLY 76 Ca -0.07 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 2h62 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h62 s MET 78 N -1.12 2.03 0.72 0.00 0.00 -0.04 -4.97 119.30 115.91 2h62 s MET 78 Ca 0.16 -0.49 -0.16 0.00 0.00 0.00 0.00 55.69 55.20 2h62 s MET 78 Cb -0.12 -1.75 0.03 0.00 0.00 0.00 0.00 34.83 32.99 2h62 s MET 78 CO 0.05 -0.07 1.24 0.21 0.00 0.00 0.00 175.02 176.45 2h62 s LYS 79 N 1.01 2.15 0.14 4.11 2.20 -1.26 -0.94 119.74 127.16 2h62 s LYS 79 Ca -0.07 1.88 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 2h62 s LYS 79 Cb -0.15 -1.82 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2h62 s LYS 79 CO -0.01 -1.85 1.71 -0.92 -0.36 0.00 0.00 175.35 173.91 2h62 h TYR 80 N -0.14 0.66 -2.32 4.03 3.20 -1.89 -3.35 116.97 117.16 2h62 h TYR 80 Ca -0.49 -0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.78 2h62 h TYR 80 Cb 1.31 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2h62 h TYR 80 CO 0.45 0.55 1.31 -2.00 -1.64 0.00 0.00 178.16 176.83 2h62 s GLU 81 N -5.63 3.66 0.00 1.82 2.12 -1.26 -1.53 118.70 117.88 2h62 s GLU 81 Ca -0.13 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.35 2h62 s GLU 81 Cb 0.11 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2h62 s GLU 81 CO 0.76 -1.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 2h62 n GLY 82 N 5.04 0.75 0.19 -1.50 0.00 -1.26 -4.93 105.19 103.48 2h62 n GLY 82 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 2h62 n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2h62 h SER 83 N 0.00 0.00 -0.03 1.61 4.64 -1.41 -2.43 113.55 115.93 2h62 h SER 83 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h62 h SER 83 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2h62 h SER 83 CO 0.00 0.39 0.02 -2.24 -0.87 0.00 0.00 176.83 174.13 2h62 h ASP 84 N 0.00 0.04 -0.30 4.97 3.04 -1.92 0.82 116.42 123.07 2h62 h ASP 84 Ca -0.00 -0.03 0.04 0.00 -3.24 0.00 0.00 57.03 53.80 2h62 h ASP 84 Cb 0.82 -0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 39.06 2h62 h ASP 84 CO 0.05 0.05 0.06 -0.26 -2.04 0.00 0.00 179.24 177.11 2h62 h PHE 85 N 0.02 0.11 -0.22 4.15 0.04 -1.90 -1.97 116.94 117.16 2h62 h PHE 85 Ca 0.01 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.61 2h62 h PHE 85 Cb 0.02 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2h62 h PHE 85 CO -0.07 0.03 -0.61 1.96 -0.60 0.00 0.00 178.31 179.02 2h62 h GLN 86 N 0.17 0.75 -0.17 1.51 4.20 -1.26 0.10 115.11 120.41 2h62 h GLN 86 Ca 0.14 -0.51 -0.13 0.00 0.06 0.00 0.00 58.65 58.21 2h62 h GLN 86 Cb 0.14 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2h62 h GLN 86 CO -0.18 1.13 -0.44 0.00 -0.67 0.00 0.00 178.83 178.67 2h62 h LYS 88 N 0.34 0.36 -1.83 0.00 1.79 -1.27 -3.45 116.57 112.52 2h62 h LYS 88 Ca 0.02 -0.22 0.22 0.00 -2.18 0.00 0.00 60.65 58.50 2h62 h LYS 88 Cb 0.92 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.53 2h62 h LYS 88 CO 0.08 0.80 -0.33 -3.47 -1.08 0.00 0.00 179.45 175.45 2h62 n ASP 89 N -4.51 -4.85 -4.39 0.86 -0.08 0.35 -4.81 116.55 99.13 2h62 n ASP 89 Ca -0.07 0.36 -0.34 0.00 -1.51 0.00 0.00 54.79 53.23 2h62 n ASP 89 Cb 0.41 -2.49 -0.13 0.00 2.34 0.00 0.00 41.12 41.25 2h62 n ASP 89 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2h62 s SER 90 N -5.11 4.48 0.00 1.67 0.15 -1.26 -4.98 113.70 108.65 2h62 s SER 90 Ca 0.00 -0.29 0.16 0.00 0.70 0.00 0.00 55.95 56.53 2h62 s SER 90 Cb 0.00 -1.75 0.82 0.00 -1.71 0.00 0.00 66.02 63.38 2h62 s SER 90 CO 0.00 0.06 1.48 -0.81 1.20 0.00 0.00 173.24 175.17 2h62 n PRO 91 N 4.26 0.22 -0.33 5.44 -0.04 -1.26 -2.01 135.00 141.28 2h62 n PRO 91 Ca -0.18 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2h62 n PRO 91 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 2h62 n PRO 91 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2h62 n LYS 92 N -1.30 2.49 -1.74 0.54 4.76 -1.26 -4.97 118.16 116.68 2h62 n LYS 92 Ca 0.08 -2.22 -0.41 0.00 -2.87 0.00 0.00 58.31 52.89 2h62 n LYS 92 Cb 0.13 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2h62 n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h62 n ALA 93 N 1.27 1.78 0.01 7.82 0.00 -0.85 -4.91 120.51 125.62 2h62 n ALA 93 Ca 0.21 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 2h62 n ALA 93 Cb 0.54 -2.34 0.24 0.00 0.00 0.00 0.00 19.45 17.89 2h62 n ALA 93 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2h62 h GLN 94 N 2.41 0.50 -5.87 0.00 4.20 -1.93 -3.43 115.11 110.99 2h62 h GLN 94 Ca -0.49 -0.15 -0.63 0.00 0.06 0.00 0.00 58.65 57.44 2h62 h GLN 94 Cb 1.27 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 2h62 h GLN 94 CO 0.62 0.64 -0.50 -0.51 -0.67 0.00 0.00 178.83 178.40 2h62 s LEU 95 N -8.83 4.34 0.19 1.46 1.43 -1.26 -5.07 118.68 110.94 2h62 s LEU 95 Ca -0.07 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2h62 s LEU 95 Cb 0.14 -2.77 -0.08 0.00 0.03 0.00 0.00 46.19 43.52 2h62 s LEU 95 CO 0.78 0.22 1.02 -0.13 0.23 0.00 0.00 176.35 178.46 2h62 s ARG 96 N -2.22 4.70 -0.12 1.70 0.52 -1.25 -4.94 118.95 117.34 2h62 s ARG 96 Ca 0.31 1.59 -0.31 0.00 -0.52 0.00 0.00 55.73 56.80 2h62 s ARG 96 Cb -0.13 -3.30 0.12 0.00 0.52 0.00 0.00 34.95 32.17 2h62 s ARG 96 CO 0.23 0.25 1.03 -0.98 0.02 0.00 0.00 175.30 175.85 2h62 s ARG 97 N -0.60 0.58 -0.04 3.54 1.70 -1.26 -0.94 118.95 121.93 2h62 s ARG 97 Ca 0.46 -0.09 -0.02 0.00 -0.47 0.00 0.00 55.73 55.61 2h62 s ARG 97 Cb -0.27 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.41 2h62 s ARG 97 CO 0.33 -0.23 0.06 0.99 -1.08 0.00 0.00 175.30 175.38 2h62 s THR 98 N -2.15 -0.11 0.00 4.99 2.01 -0.18 -4.57 115.64 115.63 2h62 s THR 98 Ca 0.04 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2h62 s THR 98 Cb -0.01 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2h62 s THR 98 CO -0.04 0.17 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.47 2h62 s ILE 99 N 2.08 3.56 0.05 1.82 2.07 -1.26 -1.30 121.20 128.22 2h62 s ILE 99 Ca 0.04 -0.80 0.04 0.00 -1.41 0.00 0.00 60.65 58.52 2h62 s ILE 99 Cb -0.12 -2.54 -0.03 0.00 0.13 0.00 0.00 42.46 39.90 2h62 s ILE 99 CO -0.03 0.40 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.67 2h62 s GLU 100 N -1.39 0.72 0.19 3.50 2.02 0.47 -4.93 118.70 119.28 2h62 s GLU 100 Ca 0.17 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.42 2h62 s GLU 100 Cb -0.11 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.42 2h62 s GLU 100 CO 0.07 0.14 -0.21 0.00 0.02 0.00 0.00 175.26 175.28 2h62 n ARG 103 N -0.22 0.66 -4.35 0.00 1.85 -1.26 -0.66 116.66 112.67 2h62 n ARG 103 Ca -0.12 -2.45 -0.20 0.00 -1.00 0.00 0.00 57.85 54.09 2h62 n ARG 103 Cb 0.63 -0.72 -0.10 0.00 -1.05 0.00 0.00 32.46 31.22 2h62 n ARG 103 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2h62 s THR 104 N -1.36 1.84 -0.27 8.89 -4.23 -1.26 -4.99 115.64 114.25 2h62 s THR 104 Ca 0.33 -2.14 -0.43 0.00 -1.18 0.00 0.00 61.69 58.27 2h62 s THR 104 Cb 0.35 -2.01 -0.18 0.00 1.34 0.00 0.00 72.50 72.00 2h62 s THR 104 CO -0.11 -0.49 1.51 -3.20 -0.54 0.00 0.00 174.62 171.78 2h62 n ASN 105 N -0.20 1.35 -1.05 3.99 5.15 -1.26 -1.53 115.26 121.70 2h62 n ASN 105 Ca -0.09 1.14 -0.12 0.00 -0.60 0.00 0.00 54.58 54.91 2h62 n ASN 105 Cb 0.59 -1.00 -0.05 0.00 -0.53 0.00 0.00 39.78 38.80 2h62 n ASN 105 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2h62 n LEU 106 N 3.71 -0.64 0.23 1.20 4.77 0.11 -4.85 117.00 121.54 2h62 n LEU 106 Ca 0.26 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2h62 n LEU 106 Cb 0.05 -2.37 0.77 0.00 -2.33 0.00 0.00 43.42 39.54 2h62 n LEU 106 CO 0.79 -0.88 1.12 0.00 -1.33 0.00 0.00 177.39 177.08 2h62 n ASN 108 N -4.16 0.27 0.28 0.00 6.94 -1.26 -1.12 115.26 116.21 2h62 n ASN 108 Ca -0.01 0.58 0.19 0.00 -0.02 0.00 0.00 54.58 55.32 2h62 n ASN 108 Cb 0.19 -0.63 0.92 0.00 -2.36 0.00 0.00 39.78 37.90 2h62 n ASN 108 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2h62 h GLN 109 N 0.00 0.00 -0.02 -3.83 3.07 -1.91 -2.54 115.11 109.88 2h62 h GLN 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2h62 h GLN 109 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2h62 h GLN 109 CO 0.00 0.00 -0.13 0.66 0.09 0.00 0.00 178.83 179.45 2h62 n TYR 110 N -2.92 0.00 -2.91 0.06 4.01 -0.27 -4.91 117.16 110.22 2h62 n TYR 110 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 2h62 n TYR 110 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2h62 n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2h62 s LEU 111 N -2.01 4.41 -0.48 7.72 1.43 -0.96 -4.98 118.68 123.81 2h62 s LEU 111 Ca 0.23 1.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 2h62 s LEU 111 Cb 0.18 -3.31 0.24 0.00 0.03 0.00 0.00 46.19 43.33 2h62 s LEU 111 CO 0.35 -0.09 0.57 0.00 0.23 0.00 0.00 176.35 177.41 2h62 n GLN 112 N 3.28 1.23 -1.88 1.70 10.64 -1.26 -4.99 117.38 126.10 2h62 n GLN 112 Ca 0.00 -3.69 -0.39 0.00 -1.83 0.00 0.00 57.00 51.09 2h62 n GLN 112 Cb 0.51 -1.60 0.02 0.00 -0.86 0.00 0.00 30.24 28.30 2h62 n GLN 112 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2h62 s PRO 113 N -1.44 3.60 0.03 2.61 0.04 -1.26 -5.02 135.00 133.56 2h62 s PRO 113 Ca 0.36 2.27 0.09 0.00 0.04 0.00 0.00 61.00 63.76 2h62 s PRO 113 Cb 0.14 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2h62 s PRO 113 CO -0.09 -0.83 -0.26 0.95 0.04 0.00 0.00 177.00 176.80 2h62 s THR 114 N -1.26 2.13 0.72 1.26 -4.23 -1.26 -4.74 115.64 108.24 2h62 s THR 114 Ca 0.63 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 2h62 s THR 114 Cb -0.41 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2h62 s THR 114 CO 0.51 0.41 0.96 0.18 -0.54 0.00 0.00 174.62 176.14 2h62 n LEU 115 N 1.90 3.49 -4.80 4.79 4.77 -1.26 -4.65 117.00 121.25 2h62 n LEU 115 Ca -0.17 0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 56.13 2h62 n LEU 115 Cb 0.52 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 2h62 n LEU 115 CO 0.23 -2.04 0.66 -2.16 -1.33 0.00 0.00 177.39 172.74 2h62 s PRO 116 N -3.31 4.40 0.00 3.23 0.04 -1.26 -5.01 135.00 133.09 2h62 s PRO 116 Ca 0.73 1.25 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2h62 s PRO 116 Cb -0.35 -2.51 0.25 0.00 0.04 0.00 0.00 34.50 31.94 2h62 s PRO 116 CO 0.50 0.11 0.73 -0.35 0.04 0.00 0.00 177.00 178.04