#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i85 s LYS 2 N 0.00 1.42 -1.00 1.43 2.20 -1.26 -4.47 119.74 118.05 2i85 s LYS 2 Ca 0.00 0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 55.74 2i85 s LYS 2 Cb 0.00 -1.87 0.02 0.00 -1.51 0.00 0.00 37.83 34.47 2i85 s LYS 2 CO 0.00 -2.01 0.64 -1.13 -0.36 0.00 0.00 175.35 172.49 2i85 n SER 3 N -3.63 -4.53 0.00 1.43 3.41 -1.20 -5.02 113.62 104.08 2i85 n SER 3 Ca 0.07 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2i85 n SER 3 Cb 0.59 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 2i85 n SER 3 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2i85 n ILE 4 N -3.72 0.00 -3.10 -1.33 -0.00 -1.26 -4.80 119.36 105.15 2i85 n ILE 4 Ca -0.23 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.56 2i85 n ILE 4 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 39.64 40.28 2i85 n ILE 4 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2i85 s VAL 5 N 0.00 -0.53 -0.01 7.28 -7.23 -1.26 -4.33 120.40 114.32 2i85 s VAL 5 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 2i85 s VAL 5 Cb 0.00 -0.39 -0.12 0.00 0.56 0.00 0.00 36.38 36.43 2i85 s VAL 5 CO 0.00 0.00 0.90 0.25 -0.31 0.00 0.00 175.10 175.94 2i85 h LEU 6 N 7.14 -0.64 -5.55 1.32 7.12 -1.84 -3.43 115.31 119.43 2i85 h LEU 6 Ca -0.05 0.02 -0.24 0.00 0.13 0.00 0.00 57.88 57.74 2i85 h LEU 6 Cb 1.19 0.16 -0.22 0.00 -0.53 0.00 0.00 40.66 41.26 2i85 h LEU 6 CO -0.00 -0.26 -0.60 -1.61 -0.13 0.00 0.00 178.44 175.84 2i85 s GLU 7 N -4.03 0.96 0.27 1.25 8.01 -1.26 -5.15 118.70 118.76 2i85 s GLU 7 Ca -0.11 -1.13 -0.29 0.00 0.01 0.00 0.00 54.97 53.45 2i85 s GLU 7 Cb 0.01 -0.36 -0.09 0.00 -4.31 0.00 0.00 34.13 29.38 2i85 s GLU 7 CO 0.33 -1.31 1.21 -1.25 0.01 0.00 0.00 175.26 174.26 2i85 s PRO 8 N 0.92 4.49 -0.47 0.39 0.04 -1.26 -4.74 135.00 134.36 2i85 s PRO 8 Ca 0.27 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 2i85 s PRO 8 Cb -0.01 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2i85 s PRO 8 CO -0.08 -0.03 1.28 0.42 0.04 0.00 0.00 177.00 178.64 2i85 s ILE 9 N -0.82 4.02 -0.76 0.56 -1.09 -0.36 -3.69 121.20 119.06 2i85 s ILE 9 Ca 0.49 1.01 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 2i85 s ILE 9 Cb -0.35 -4.44 0.19 0.00 -1.58 0.00 0.00 42.46 36.27 2i85 s ILE 9 CO 0.44 -0.97 0.59 -0.31 -1.23 0.00 0.00 174.94 173.46 2i85 s TYR 10 N 5.09 3.67 0.00 3.97 1.51 -1.26 -0.20 117.35 130.13 2i85 s TYR 10 Ca 0.53 -3.17 -0.02 0.00 -1.01 0.00 0.00 57.07 53.41 2i85 s TYR 10 Cb -0.10 -2.96 -0.08 0.00 -0.11 0.00 0.00 41.96 38.71 2i85 s TYR 10 CO 0.31 -0.65 1.69 1.87 -1.11 0.00 0.00 175.55 177.65 2i85 n TRP 11 N 2.28 0.00 -3.27 2.71 -0.00 -1.01 -3.23 117.44 114.92 2i85 n TRP 11 Ca 0.19 -0.70 -0.06 0.00 -0.00 0.00 0.00 57.50 56.92 2i85 n TRP 11 Cb 0.36 -0.73 -0.04 0.00 -0.00 0.00 0.00 31.31 30.90 2i85 n TRP 11 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2i85 s ASN 12 N 2.21 -0.17 -0.43 5.87 3.84 -1.26 -4.46 114.94 120.55 2i85 s ASN 12 Ca 0.19 -0.62 -0.22 0.00 0.21 0.00 0.00 52.86 52.42 2i85 s ASN 12 Cb 0.09 1.32 0.03 0.00 -0.55 0.00 0.00 41.25 42.14 2i85 s ASN 12 CO 0.00 -0.29 0.59 -0.24 -2.79 0.00 0.00 177.10 174.37 2i85 n SER 13 N 4.95 -7.26 -1.87 -4.21 2.88 -1.26 -4.73 113.62 102.12 2i85 n SER 13 Ca 0.06 0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 57.95 2i85 n SER 13 Cb 0.51 -4.29 -0.01 0.00 -0.75 0.00 0.00 64.21 59.66 2i85 n SER 13 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2i85 n SER 14 N -0.21 -2.00 -4.81 -3.46 2.88 -1.26 -5.07 113.62 99.69 2i85 n SER 14 Ca 0.06 0.45 -0.34 0.00 -1.33 0.00 0.00 58.87 57.71 2i85 n SER 14 Cb 0.51 -2.41 -0.07 0.00 -0.75 0.00 0.00 64.21 61.49 2i85 n SER 14 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2i85 s ASN 15 N -0.29 7.03 0.53 -3.46 4.22 -1.20 -4.83 114.94 116.95 2i85 s ASN 15 Ca -0.07 1.73 0.19 0.00 -2.14 0.00 0.00 52.86 52.57 2i85 s ASN 15 Cb 0.00 -2.55 1.39 0.00 1.28 0.00 0.00 41.25 41.37 2i85 s ASN 15 CO 0.26 -0.29 2.17 0.28 -2.04 0.00 0.00 177.10 177.47 2i85 h SER 16 N 2.22 0.00 -0.48 3.54 0.02 -1.81 -1.04 113.55 116.01 2i85 h SER 16 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2i85 h SER 16 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2i85 h SER 16 CO 0.62 0.01 0.29 0.50 -1.14 0.00 0.00 176.83 177.11 2i85 h LYS 17 N 0.00 0.64 -6.01 3.45 3.64 -1.85 -3.47 116.57 112.96 2i85 h LYS 17 Ca -0.00 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.11 2i85 h LYS 17 Cb 0.02 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 2i85 h LYS 17 CO 0.00 0.46 -0.35 0.34 -2.27 0.00 0.00 179.45 177.63 2i85 n PHE 18 N -4.72 -0.45 -1.46 1.91 7.35 -0.40 -4.42 117.46 115.27 2i85 n PHE 18 Ca 0.02 0.18 -0.35 0.00 -0.76 0.00 0.00 57.45 56.54 2i85 n PHE 18 Cb 0.05 -0.99 -0.16 0.00 0.35 0.00 0.00 39.48 38.72 2i85 n PHE 18 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2i85 n LEU 19 N -2.30 -0.13 -0.01 -2.13 -0.00 -1.26 -4.80 117.00 106.36 2i85 n LEU 19 Ca -0.10 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.05 2i85 n LEU 19 Cb 0.24 -0.80 0.59 0.00 -0.00 0.00 0.00 43.42 43.45 2i85 n LEU 19 CO 0.30 -0.87 0.89 -0.81 -0.00 0.00 0.00 177.39 176.89 2i85 n PRO 20 N 7.55 0.15 0.00 1.47 -0.04 -1.25 -4.69 135.00 138.19 2i85 n PRO 20 Ca 0.65 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2i85 n PRO 20 Cb 0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2i85 n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i85 n GLY 21 N 1.44 -0.54 0.39 0.55 0.00 -1.26 -5.02 105.19 100.76 2i85 n GLY 21 Ca 0.09 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.24 2i85 n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i85 n GLN 22 N -2.25 0.38 -0.68 1.61 6.02 -1.26 -4.85 117.38 116.34 2i85 n GLN 22 Ca 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.51 2i85 n GLN 22 Cb 0.00 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.48 2i85 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i85 n GLY 23 N -0.41 0.65 3.01 1.08 0.00 -1.10 -2.72 105.19 105.71 2i85 n GLY 23 Ca 0.05 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 2i85 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i85 s LEU 24 N 0.00 1.68 0.17 0.99 2.96 -1.07 -3.82 118.68 119.59 2i85 s LEU 24 Ca 0.00 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 2i85 s LEU 24 Cb 0.00 -0.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.91 2i85 s LEU 24 CO 0.00 0.05 1.11 -0.69 -1.32 0.00 0.00 176.35 175.49 2i85 s VAL 25 N 0.47 3.89 0.23 1.68 1.01 -1.26 -4.02 120.40 122.40 2i85 s VAL 25 Ca -0.09 1.60 0.09 0.00 0.00 0.00 0.00 61.98 63.58 2i85 s VAL 25 Cb -0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2i85 s VAL 25 CO 0.02 0.26 -0.05 -0.76 0.00 0.00 0.00 175.10 174.57 2i85 s LEU 26 N -0.24 3.08 -0.40 3.92 2.01 -0.54 -4.92 118.68 121.59 2i85 s LEU 26 Ca 0.50 -0.63 0.04 0.00 0.01 0.00 0.00 54.13 54.05 2i85 s LEU 26 Cb -0.29 -1.67 0.11 0.00 0.01 0.00 0.00 46.19 44.35 2i85 s LEU 26 CO 0.34 0.05 0.13 -0.31 1.01 0.00 0.00 176.35 177.58 2i85 s TYR 27 N -2.07 3.33 -1.26 0.29 1.51 -1.26 -2.15 117.35 115.74 2i85 s TYR 27 Ca 0.29 -2.95 -0.12 0.00 -1.01 0.00 0.00 57.07 53.28 2i85 s TYR 27 Cb -0.07 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 38.97 2i85 s TYR 27 CO 0.18 -0.87 2.39 -0.35 -1.11 0.00 0.00 175.55 175.79 2i85 n PRO 28 N 3.87 2.71 -3.92 -1.71 -0.04 -1.26 -4.90 135.00 129.75 2i85 n PRO 28 Ca 0.04 -2.04 -0.36 0.00 -0.04 0.00 0.00 63.50 61.10 2i85 n PRO 28 Cb 0.38 -2.85 -0.08 0.00 -0.04 0.00 0.00 33.50 30.92 2i85 n PRO 28 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2i85 s GLN 29 N 3.21 3.72 -0.74 0.54 -2.07 -1.26 -4.84 119.66 118.22 2i85 s GLN 29 Ca 0.54 -0.23 -0.27 0.00 -1.82 0.00 0.00 55.36 53.58 2i85 s GLN 29 Cb 0.14 -3.22 0.02 0.00 -1.09 0.00 0.00 33.01 28.87 2i85 s GLN 29 CO -0.03 0.52 1.37 0.42 -1.32 0.00 0.00 175.29 176.26 2i85 s ILE 30 N -0.31 3.68 0.00 3.63 -1.09 -1.26 -3.60 121.20 122.25 2i85 s ILE 30 Ca 0.10 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2i85 s ILE 30 Cb -0.12 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 35.97 2i85 s ILE 30 CO 0.01 -1.73 0.00 0.61 -1.23 0.00 0.00 174.94 172.60 2i85 n GLY 31 N 5.53 0.19 3.18 6.18 0.00 -1.26 -5.05 105.19 113.96 2i85 n GLY 31 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2i85 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i85 n ASP 32 N 0.00 2.22 -4.20 1.61 9.92 -1.24 -3.24 116.55 121.62 2i85 n ASP 32 Ca 0.00 -2.47 -0.12 0.00 -0.53 0.00 0.00 54.79 51.67 2i85 n ASP 32 Cb 0.00 -0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.24 2i85 n ASP 32 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2i85 s LYS 33 N -3.97 1.12 -0.05 -1.24 -2.85 -1.26 -2.02 119.74 109.48 2i85 s LYS 33 Ca 0.34 -1.57 -0.02 0.00 -1.00 0.00 0.00 55.97 53.72 2i85 s LYS 33 Cb -0.03 0.15 0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2i85 s LYS 33 CO 0.22 -0.31 0.09 -0.48 0.10 0.00 0.00 175.35 174.96 2i85 s LEU 34 N -3.14 0.68 -0.29 2.77 -0.00 -1.05 -2.23 118.68 115.42 2i85 s LEU 34 Ca 0.32 0.17 0.01 0.00 -0.00 0.00 0.00 54.13 54.63 2i85 s LEU 34 Cb 0.07 0.11 0.06 0.00 -0.00 0.00 0.00 46.19 46.43 2i85 s LEU 34 CO 0.08 -0.17 -0.04 1.51 -0.00 0.00 0.00 176.35 177.73 2i85 s ASP 35 N 1.41 4.70 0.26 1.48 -4.77 -1.26 -1.76 116.67 116.72 2i85 s ASP 35 Ca -0.06 -1.40 -0.29 0.00 -3.30 0.00 0.00 52.55 47.49 2i85 s ASP 35 Cb -0.12 -1.64 -0.09 0.00 -1.09 0.00 0.00 42.92 39.98 2i85 s ASP 35 CO -0.04 -0.24 1.17 -0.51 0.70 0.00 0.00 175.17 176.24 2i85 s ILE 36 N 1.16 3.37 -0.02 2.11 -1.16 -0.18 -1.22 121.20 125.26 2i85 s ILE 36 Ca -0.06 1.31 0.02 0.00 -0.51 0.00 0.00 60.65 61.40 2i85 s ILE 36 Cb -0.20 -3.83 0.01 0.00 0.61 0.00 0.00 42.46 39.05 2i85 s ILE 36 CO -0.03 0.28 -0.05 -0.63 -2.81 0.00 0.00 174.94 171.70 2i85 s ILE 37 N -0.83 0.49 -0.10 2.00 1.01 0.72 -1.68 121.20 122.81 2i85 s ILE 37 Ca 0.48 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2i85 s ILE 37 Cb -0.34 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.72 2i85 s ILE 37 CO 0.42 0.17 0.22 0.00 0.00 0.00 0.00 174.94 175.74 2i85 s PRO 39 N 1.50 -0.09 -0.04 0.00 0.04 -1.26 -1.93 135.00 133.23 2i85 s PRO 39 Ca -0.07 -0.47 0.21 0.00 0.04 0.00 0.00 61.00 60.72 2i85 s PRO 39 Cb -0.11 -1.77 0.37 0.00 0.04 0.00 0.00 34.50 33.04 2i85 s PRO 39 CO -0.08 -2.89 1.15 0.36 0.04 0.00 0.00 177.00 175.58 2i85 n LYS 40 N -4.09 0.22 -0.67 4.56 -0.00 -1.26 -4.83 118.16 112.08 2i85 n LYS 40 Ca 0.17 -2.00 0.02 0.00 -0.00 0.00 0.00 58.31 56.50 2i85 n LYS 40 Cb 0.59 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.03 35.52 2i85 n LYS 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i85 n VAL 41 N 0.26 -1.02 0.00 0.58 0.31 -1.25 -4.87 118.33 112.34 2i85 n VAL 41 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 64.91 2i85 n VAL 41 Cb 1.04 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 2i85 n VAL 41 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2i85 n ASP 42 N -2.31 0.00 0.02 4.52 8.00 -1.26 -4.93 116.55 120.59 2i85 n ASP 42 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.45 2i85 n ASP 42 Cb 0.24 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.54 2i85 n ASP 42 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2i85 h SER 43 N 0.00 0.48 0.00 -2.24 0.02 -2.05 -3.30 113.55 106.46 2i85 h SER 43 Ca 0.00 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 2i85 h SER 43 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2i85 h SER 43 CO 0.00 0.74 -0.54 0.11 -1.14 0.00 0.00 176.83 176.00 2i85 h LYS 44 N 0.42 0.00 0.00 3.45 1.79 -2.03 -3.48 116.57 116.73 2i85 h LYS 44 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2i85 h LYS 44 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2i85 h LYS 44 CO 0.05 0.76 0.00 -2.37 -1.08 0.00 0.00 179.45 176.81 2i85 n THR 45 N -4.56 0.00 -2.74 -0.16 5.66 -1.25 -4.71 114.28 106.52 2i85 n THR 45 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 2i85 n THR 45 Cb 0.47 -0.57 0.07 0.00 -1.55 0.00 0.00 70.33 68.75 2i85 n THR 45 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2i85 n VAL 46 N -1.41 0.33 0.14 1.08 0.24 -1.26 -4.89 118.33 112.56 2i85 n VAL 46 Ca 0.00 -2.37 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 2i85 n VAL 46 Cb 0.19 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 2i85 n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i85 n GLY 47 N -0.20 -1.36 2.24 7.63 0.00 -1.26 -4.96 105.19 107.28 2i85 n GLY 47 Ca 0.05 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 2i85 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i85 n GLN 48 N -3.06 2.91 0.27 1.61 0.00 -1.26 -4.70 117.38 113.15 2i85 n GLN 48 Ca 0.00 -3.50 0.14 0.00 0.00 0.00 0.00 57.00 53.64 2i85 n GLN 48 Cb 0.00 -2.28 0.78 0.00 0.00 0.00 0.00 30.24 28.73 2i85 n GLN 48 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2i85 h TYR 49 N 2.03 0.00 -2.38 2.61 3.20 -1.91 -3.33 116.97 117.19 2i85 h TYR 49 Ca 0.55 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.22 2i85 h TYR 49 Cb 1.02 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.39 2i85 h TYR 49 CO 1.29 0.09 0.04 0.39 -1.64 0.00 0.00 178.16 178.34 2i85 n GLU 50 N -3.50 -2.22 -4.40 1.82 4.71 -1.26 -4.97 120.64 110.82 2i85 n GLU 50 Ca -0.02 -0.86 -0.20 0.00 -0.01 0.00 0.00 57.16 56.08 2i85 n GLU 50 Cb 0.23 -0.83 -0.10 0.00 -1.01 0.00 0.00 31.44 29.73 2i85 n GLU 50 CO 0.00 0.00 0.00 1.52 0.09 0.00 0.00 177.13 178.74 2i85 s TYR 51 N -1.94 1.78 0.09 -0.32 -0.85 -1.26 -4.89 117.35 109.95 2i85 s TYR 51 Ca 0.35 -1.07 0.06 0.00 -0.52 0.00 0.00 57.07 55.90 2i85 s TYR 51 Cb -0.04 -1.12 -0.03 0.00 0.38 0.00 0.00 41.96 41.15 2i85 s TYR 51 CO 0.27 -0.15 -0.17 0.71 -1.52 0.00 0.00 175.55 174.69 2i85 s TYR 52 N -3.49 1.45 -0.29 -3.49 2.02 -0.81 -4.84 117.35 107.89 2i85 s TYR 52 Ca 0.37 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2i85 s TYR 52 Cb 0.08 -0.80 0.14 0.00 -0.40 0.00 0.00 41.96 40.98 2i85 s TYR 52 CO 0.15 0.12 0.31 -1.59 -1.57 0.00 0.00 175.55 172.97 2i85 s LYS 53 N -1.84 0.35 0.17 -0.62 -2.85 -1.26 -1.06 119.74 112.63 2i85 s LYS 53 Ca 0.02 -0.14 -0.07 0.00 -1.00 0.00 0.00 55.97 54.78 2i85 s LYS 53 Cb -0.10 -0.61 -0.06 0.00 -2.06 0.00 0.00 37.83 35.00 2i85 s LYS 53 CO 0.03 -1.04 0.45 0.54 0.10 0.00 0.00 175.35 175.43 2i85 s VAL 54 N 2.35 5.06 0.00 1.79 0.11 0.02 -3.63 120.40 126.11 2i85 s VAL 54 Ca 0.10 0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2i85 s VAL 54 Cb -0.14 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2i85 s VAL 54 CO -0.32 0.03 0.19 -0.31 -3.33 0.00 0.00 175.10 171.37 2i85 s TYR 55 N -1.68 -0.02 0.08 1.54 2.02 -0.36 -2.84 117.35 116.09 2i85 s TYR 55 Ca 0.42 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.79 2i85 s TYR 55 Cb -0.12 -0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 2i85 s TYR 55 CO 0.22 -0.34 0.90 -1.64 -1.57 0.00 0.00 175.55 173.13 2i85 s MET 56 N -1.56 4.62 0.15 -0.62 -1.94 -1.26 -1.46 119.30 117.23 2i85 s MET 56 Ca -0.13 1.33 -0.19 0.00 -1.71 0.00 0.00 55.69 55.00 2i85 s MET 56 Cb -0.06 -3.38 0.05 0.00 2.01 0.00 0.00 34.83 33.44 2i85 s MET 56 CO 0.02 0.20 0.49 0.08 -0.01 0.00 0.00 175.02 175.79 2i85 s VAL 57 N 0.11 0.04 0.74 -6.03 1.01 -0.21 -4.74 120.40 111.31 2i85 s VAL 57 Ca 0.45 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2i85 s VAL 57 Cb -0.22 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2i85 s VAL 57 CO 0.28 -0.18 1.21 -1.81 0.00 0.00 0.00 175.10 174.60 2i85 s ASP 58 N -2.79 4.13 0.19 3.32 1.01 -1.26 -3.00 116.67 118.27 2i85 s ASP 58 Ca 0.03 2.38 -0.12 0.00 0.71 0.00 0.00 52.55 55.55 2i85 s ASP 58 Cb 0.01 -2.59 0.21 0.00 1.01 0.00 0.00 42.92 41.55 2i85 s ASP 58 CO -0.11 -2.31 1.71 0.50 0.21 0.00 0.00 175.17 175.17 2i85 h LYS 59 N -0.32 0.23 -0.69 8.23 3.11 -1.93 0.10 116.57 125.30 2i85 h LYS 59 Ca -0.48 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.31 2i85 h LYS 59 Cb 1.30 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.45 2i85 h LYS 59 CO 0.49 0.15 0.29 0.22 -2.81 0.00 0.00 179.45 177.79 2i85 h ASP 60 N 0.23 0.94 -0.20 4.20 3.58 -1.99 0.95 116.42 124.14 2i85 h ASP 60 Ca 0.26 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 2i85 h ASP 60 Cb 0.36 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2i85 h ASP 60 CO -0.34 0.84 -0.21 1.56 -2.88 0.00 0.00 179.24 178.20 2i85 h GLN 61 N 0.97 0.49 -0.52 0.28 1.08 -1.79 -2.14 115.11 113.48 2i85 h GLN 61 Ca 0.23 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2i85 h GLN 61 Cb 0.19 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2i85 h GLN 61 CO -0.02 0.85 0.28 0.00 -0.95 0.00 0.00 178.83 178.99 2i85 h ALA 62 N 0.64 1.51 -0.01 3.87 0.00 -0.60 -1.02 119.26 123.65 2i85 h ALA 62 Ca 0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2i85 h ALA 62 Cb 0.77 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2i85 h ALA 62 CO 0.05 0.41 -0.65 0.22 0.00 0.00 0.00 179.25 179.28 2i85 h ASP 63 N 0.73 0.03 0.20 0.00 3.58 -0.76 -2.03 116.42 118.17 2i85 h ASP 63 Ca 0.19 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2i85 h ASP 63 Cb 0.03 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2i85 h ASP 63 CO -0.03 0.67 0.00 0.54 -2.88 0.00 0.00 179.24 177.54 2i85 n ARG 64 N -3.78 0.14 -2.42 0.28 5.12 -0.81 -4.88 116.66 110.32 2i85 n ARG 64 Ca -0.01 0.19 -0.20 0.00 -1.93 0.00 0.00 57.85 55.90 2i85 n ARG 64 Cb 0.64 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.43 2i85 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i85 s THR 66 N -2.98 2.70 -0.04 0.00 -4.23 -0.43 -0.41 115.64 110.25 2i85 s THR 66 Ca 0.01 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2i85 s THR 66 Cb -0.00 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 2i85 s THR 66 CO 0.01 0.38 0.00 -0.63 -0.54 0.00 0.00 174.62 173.84 2i85 s ILE 67 N -0.87 4.24 -0.10 2.99 1.01 0.39 -3.68 121.20 125.17 2i85 s ILE 67 Ca 0.14 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 60.06 2i85 s ILE 67 Cb -0.10 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2i85 s ILE 67 CO 0.04 0.47 0.90 -0.54 0.00 0.00 0.00 174.94 175.81 2i85 s LYS 68 N -1.29 4.41 0.64 2.79 -0.14 -1.26 -4.86 119.74 120.03 2i85 s LYS 68 Ca 0.17 1.21 0.38 0.00 -1.36 0.00 0.00 55.97 56.37 2i85 s LYS 68 Cb -0.11 -3.52 2.09 0.00 -1.68 0.00 0.00 37.83 34.61 2i85 s LYS 68 CO 0.07 -0.22 2.18 1.57 -0.76 0.00 0.00 175.35 178.19 2i85 h LYS 69 N 7.07 0.00 0.00 1.68 2.10 -1.98 0.18 116.57 125.62 2i85 h LYS 69 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 2i85 h LYS 69 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2i85 h LYS 69 CO 0.82 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.66 2i85 n GLU 70 N -2.95 0.01 -4.32 0.07 1.02 -1.26 -4.72 120.64 108.50 2i85 n GLU 70 Ca -0.03 0.31 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 2i85 n GLU 70 Cb 0.16 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 2i85 n GLU 70 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2i85 s ASN 71 N -3.09 4.16 0.00 1.62 -0.87 0.05 -4.98 114.94 111.83 2i85 s ASN 71 Ca 0.05 -0.65 0.00 0.00 -1.57 0.00 0.00 52.86 50.70 2i85 s ASN 71 Cb 0.08 -0.66 0.00 0.00 -0.02 0.00 0.00 41.25 40.65 2i85 s ASN 71 CO 0.22 0.09 0.00 0.41 -2.57 0.00 0.00 177.10 175.25 2i85 n THR 72 N -0.09 0.00 -2.67 1.60 -1.04 -1.26 -4.88 114.28 105.94 2i85 n THR 72 Ca -0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 2i85 n THR 72 Cb 0.56 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 2i85 n THR 72 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2i85 s PRO 73 N -1.80 3.79 0.36 -2.82 0.04 -1.26 -4.63 135.00 128.67 2i85 s PRO 73 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2i85 s PRO 73 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2i85 s PRO 73 CO 0.00 -1.18 0.00 -0.11 0.04 0.00 0.00 177.00 175.75 2i85 n LEU 74 N 7.36 -3.19 -3.64 -3.56 -0.00 -1.26 -4.82 117.00 107.90 2i85 n LEU 74 Ca 0.10 0.69 -0.07 0.00 -0.00 0.00 0.00 56.01 56.73 2i85 n LEU 74 Cb 0.48 3.08 -0.07 0.00 -0.00 0.00 0.00 43.42 46.92 2i85 n LEU 74 CO 0.66 0.11 0.39 -0.22 -0.00 0.00 0.00 177.39 178.33 2i85 s LEU 75 N -6.42 -0.89 -0.27 -1.96 1.98 -1.13 -5.03 118.68 104.96 2i85 s LEU 75 Ca 0.00 1.44 0.00 0.00 -2.89 0.00 0.00 54.13 52.68 2i85 s LEU 75 Cb 0.00 2.33 0.15 0.00 0.66 0.00 0.00 46.19 49.33 2i85 s LEU 75 CO 0.00 -0.23 0.40 0.21 -1.89 0.00 0.00 176.35 174.84 2i85 s ASN 76 N 1.51 0.35 -0.50 3.68 2.47 -1.26 -0.80 114.94 120.40 2i85 s ASN 76 Ca -0.09 -0.17 -0.12 0.00 0.42 0.00 0.00 52.86 52.90 2i85 s ASN 76 Cb -0.05 1.11 0.12 0.00 -1.45 0.00 0.00 41.25 40.98 2i85 s ASN 76 CO -0.18 -0.34 0.40 0.00 -3.72 0.00 0.00 177.10 173.27 2i85 s ALA 78 N 1.47 1.00 0.22 0.00 0.00 -1.26 -1.93 121.76 121.26 2i85 s ALA 78 Ca 0.04 -1.60 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 2i85 s ALA 78 Cb -0.27 1.34 0.35 0.00 0.00 0.00 0.00 23.12 24.53 2i85 s ALA 78 CO 0.01 -0.65 1.74 -0.22 0.00 0.00 0.00 175.76 176.64 2i85 h LYS 79 N 2.47 0.44 -1.99 0.00 3.64 -1.89 -1.27 116.57 117.97 2i85 h LYS 79 Ca -0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2i85 h LYS 79 Cb 1.25 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2i85 h LYS 79 CO 0.47 0.29 0.00 -0.35 -2.27 0.00 0.00 179.45 177.59 2i85 n PRO 80 N -4.98 0.91 0.00 1.90 -0.04 -1.26 -3.20 135.00 128.33 2i85 n PRO 80 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2i85 n PRO 80 Cb 0.33 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2i85 n PRO 80 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i85 n ASP 81 N 1.54 0.00 0.00 3.54 -0.08 -0.86 -5.15 116.55 115.54 2i85 n ASP 81 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2i85 n ASP 81 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2i85 n ASP 81 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2i85 n GLN 82 N 0.00 0.00 -1.68 -0.67 7.27 -0.54 -4.67 117.38 117.10 2i85 n GLN 82 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 57.00 56.60 2i85 n GLN 82 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 2i85 n GLN 82 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2i85 n ASP 83 N -2.43 3.64 -4.72 1.69 9.92 -1.26 -4.35 116.55 119.04 2i85 n ASP 83 Ca 0.00 0.95 -0.36 0.00 -0.53 0.00 0.00 54.79 54.86 2i85 n ASP 83 Cb 0.00 -1.41 -0.08 0.00 -0.64 0.00 0.00 41.12 38.99 2i85 n ASP 83 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2i85 s ILE 84 N 4.20 5.38 -0.11 0.53 1.10 -0.81 -4.99 121.20 126.49 2i85 s ILE 84 Ca 0.92 0.29 -0.05 0.00 -0.51 0.00 0.00 60.65 61.30 2i85 s ILE 84 Cb -0.63 -3.52 0.05 0.00 0.15 0.00 0.00 42.46 38.52 2i85 s ILE 84 CO 0.49 0.42 0.24 -1.59 -2.11 0.00 0.00 174.94 172.39 2i85 s LYS 85 N 0.45 0.16 -0.10 3.50 0.00 -1.26 -1.17 119.74 121.32 2i85 s LYS 85 Ca 0.10 0.62 -0.04 0.00 0.00 0.00 0.00 55.97 56.65 2i85 s LYS 85 Cb -0.12 -0.10 0.05 0.00 0.00 0.00 0.00 37.83 37.66 2i85 s LYS 85 CO 0.00 -0.23 0.21 -0.06 0.00 0.00 0.00 175.35 175.27 2i85 s PHE 86 N 1.85 -0.29 -0.11 1.78 0.08 -0.68 -5.03 117.98 115.59 2i85 s PHE 86 Ca -0.04 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.80 2i85 s PHE 86 Cb -0.11 -0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.16 2i85 s PHE 86 CO -0.08 -0.31 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.51 2i85 s THR 87 N 2.34 2.96 -0.21 0.64 -1.32 -1.26 -1.01 115.64 117.77 2i85 s THR 87 Ca 0.02 -0.71 -0.00 0.00 -1.21 0.00 0.00 61.69 59.78 2i85 s THR 87 Cb -0.12 -2.21 0.02 0.00 -1.51 0.00 0.00 72.50 68.68 2i85 s THR 87 CO -0.07 0.54 -0.12 -0.63 -2.21 0.00 0.00 174.62 172.13 2i85 s ILE 88 N 0.07 2.55 0.51 5.08 1.01 -0.72 -5.00 121.20 124.69 2i85 s ILE 88 Ca -0.06 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.49 2i85 s ILE 88 Cb -0.15 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 2i85 s ILE 88 CO 0.05 0.36 0.96 -0.54 0.00 0.00 0.00 174.94 175.77 2i85 s LYS 89 N 1.32 3.89 0.26 2.79 3.01 -1.26 -2.53 119.74 127.21 2i85 s LYS 89 Ca 0.02 0.86 -0.09 0.00 -1.01 0.00 0.00 55.97 55.76 2i85 s LYS 89 Cb -0.15 -2.16 0.41 0.00 -1.01 0.00 0.00 37.83 34.91 2i85 s LYS 89 CO -0.08 -0.27 1.58 0.27 0.51 0.00 0.00 175.35 177.36 2i85 h PHE 90 N 0.82 -0.43 -3.64 3.18 -0.00 -1.74 -3.32 116.94 111.80 2i85 h PHE 90 Ca -0.47 0.08 -0.67 0.00 -0.00 0.00 0.00 57.97 56.92 2i85 h PHE 90 Cb 1.19 0.33 -0.23 0.00 -0.00 0.00 0.00 35.95 37.23 2i85 h PHE 90 CO 0.64 -0.38 -0.59 -1.14 -0.00 0.00 0.00 178.31 176.83 2i85 s GLN 91 N -6.24 3.37 -0.42 6.09 0.74 -1.26 -4.81 119.66 117.14 2i85 s GLN 91 Ca -0.15 -0.68 0.09 0.00 0.05 0.00 0.00 55.36 54.67 2i85 s GLN 91 Cb 0.25 -3.44 0.31 0.00 1.10 0.00 0.00 33.01 31.22 2i85 s GLN 91 CO 0.77 -0.35 0.83 -1.91 -0.55 0.00 0.00 175.29 174.07 2i85 n GLU 92 N 4.93 0.91 -1.65 1.67 4.07 -1.25 -5.14 120.64 124.19 2i85 n GLU 92 Ca -0.15 -2.68 -0.40 0.00 -0.06 0.00 0.00 57.16 53.88 2i85 n GLU 92 Cb 0.50 -1.38 0.03 0.00 -0.06 0.00 0.00 31.44 30.52 2i85 n GLU 92 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2i85 n PHE 93 N 0.72 1.40 -3.96 4.31 1.16 -1.26 -3.48 117.46 116.35 2i85 n PHE 93 Ca 0.16 0.49 -0.14 0.00 -1.87 0.00 0.00 57.45 56.09 2i85 n PHE 93 Cb 0.64 -2.25 -0.15 0.00 -1.61 0.00 0.00 39.48 36.12 2i85 n PHE 93 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2i85 s SER 94 N -0.88 0.24 0.51 5.98 0.01 -1.26 -4.95 113.70 113.35 2i85 s SER 94 Ca 0.68 -0.03 0.30 0.00 1.31 0.00 0.00 55.95 58.21 2i85 s SER 94 Cb -0.48 -0.06 1.13 0.00 0.21 0.00 0.00 66.02 66.83 2i85 s SER 94 CO 0.53 -0.01 1.90 1.55 0.41 0.00 0.00 173.24 177.63 2i85 h PRO 95 N 6.36 0.00 -0.05 12.44 0.13 -2.07 -3.38 132.00 145.43 2i85 h PRO 95 Ca -0.30 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.60 2i85 h PRO 95 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2i85 h PRO 95 CO 0.50 0.07 -0.41 -1.71 -0.23 0.00 0.00 178.00 176.22 2i85 n ASN 96 N -3.19 -1.92 -3.31 1.44 2.85 -1.26 -5.12 115.26 104.75 2i85 n ASN 96 Ca 0.01 -2.86 -0.01 0.00 -0.11 0.00 0.00 54.58 51.60 2i85 n ASN 96 Cb 0.37 1.24 -0.04 0.00 1.24 0.00 0.00 39.78 42.59 2i85 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2i85 s LEU 97 N -2.90 -1.09 0.00 1.20 1.43 -1.26 -5.02 118.68 111.05 2i85 s LEU 97 Ca 0.22 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2i85 s LEU 97 Cb 0.37 1.82 0.25 0.00 0.03 0.00 0.00 46.19 48.66 2i85 s LEU 97 CO -0.07 -0.26 1.13 -2.67 0.23 0.00 0.00 176.35 174.70 2i85 n TRP 98 N 5.41 0.00 -0.06 0.29 2.14 -1.26 -3.54 117.44 120.42 2i85 n TRP 98 Ca -0.04 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.44 2i85 n TRP 98 Cb 0.50 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.92 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 2i85 h GLY 99 N 5.68 -0.00 1.15 -1.67 0.00 -1.98 -3.40 103.07 102.85 2i85 h GLY 99 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2i85 h GLY 99 CO 0.00 -0.00 -1.59 1.41 0.00 0.00 0.00 176.54 176.36 2i85 h LEU 100 N -0.99 0.34 -9.42 3.11 3.38 -1.86 -3.44 115.31 106.43 2i85 h LEU 100 Ca -0.00 -0.51 -0.54 0.00 0.09 0.00 0.00 57.88 56.92 2i85 h LEU 100 Cb 0.68 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2i85 h LEU 100 CO 0.00 1.43 0.67 -1.61 0.09 0.00 0.00 178.44 179.02 2i85 s GLU 101 N -2.61 4.37 0.11 1.13 2.02 -1.23 -4.67 118.70 117.82 2i85 s GLU 101 Ca -0.10 1.81 0.07 0.00 0.02 0.00 0.00 54.97 56.77 2i85 s GLU 101 Cb 0.07 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2i85 s GLU 101 CO 0.84 -0.39 -0.16 0.12 0.02 0.00 0.00 175.26 175.69 2i85 s PHE 102 N 1.65 1.49 -0.12 1.61 2.19 -1.26 -4.64 117.98 118.90 2i85 s PHE 102 Ca 0.60 -0.49 0.02 0.00 0.33 0.00 0.00 56.93 57.39 2i85 s PHE 102 Cb -0.29 -0.80 -0.01 0.00 -1.31 0.00 0.00 43.02 40.61 2i85 s PHE 102 CO 0.27 0.16 -0.19 -0.65 1.83 0.00 0.00 175.22 176.64 2i85 s GLN 103 N -2.26 3.20 0.63 10.12 -1.52 -1.26 -5.14 119.66 123.43 2i85 s GLN 103 Ca 0.06 -0.79 -0.11 0.00 -1.95 0.00 0.00 55.36 52.58 2i85 s GLN 103 Cb -0.08 -2.47 0.16 0.00 -0.22 0.00 0.00 33.01 30.40 2i85 s GLN 103 CO 0.04 0.17 0.52 0.36 -0.25 0.00 0.00 175.29 176.12 2i85 n LYS 104 N 3.61 -2.32 -3.11 2.91 2.85 -1.26 -4.29 118.16 116.55 2i85 n LYS 104 Ca -0.19 -0.83 -0.22 0.00 -1.05 0.00 0.00 58.31 56.02 2i85 n LYS 104 Cb 0.53 -0.83 0.01 0.00 -0.65 0.00 0.00 35.03 34.09 2i85 n LYS 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2i85 n ASN 105 N -4.01 -4.63 -3.75 -5.58 5.15 0.13 -5.00 115.26 97.57 2i85 n ASN 105 Ca 0.07 -0.27 -0.14 0.00 -0.60 0.00 0.00 54.58 53.64 2i85 n ASN 105 Cb 0.29 -3.80 -0.14 0.00 -0.53 0.00 0.00 39.78 35.59 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2i85 s LYS 106 N -5.76 0.08 0.21 1.20 1.02 -0.96 -5.04 119.74 110.49 2i85 s LYS 106 Ca 0.31 0.35 -0.11 0.00 0.02 0.00 0.00 55.97 56.54 2i85 s LYS 106 Cb -0.15 -0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 36.91 2i85 s LYS 106 CO 0.38 -0.16 0.55 0.16 -0.92 0.00 0.00 175.35 175.36 2i85 s ASP 107 N 1.13 6.68 0.09 2.83 -4.77 -1.26 -4.21 116.67 117.15 2i85 s ASP 107 Ca -0.09 0.96 -0.07 0.00 -3.30 0.00 0.00 52.55 50.05 2i85 s ASP 107 Cb -0.11 -2.24 -0.01 0.00 -1.09 0.00 0.00 42.92 39.47 2i85 s ASP 107 CO -0.06 -0.03 0.15 -0.31 0.70 0.00 0.00 175.17 175.63 2i85 s TYR 108 N -1.72 0.25 0.10 2.11 2.02 -1.25 -5.00 117.35 113.85 2i85 s TYR 108 Ca 0.45 -0.70 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 2i85 s TYR 108 Cb -0.12 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 2i85 s TYR 108 CO 0.20 -0.52 -0.13 0.71 -1.57 0.00 0.00 175.55 174.24 2i85 s TYR 109 N -3.88 1.26 0.18 2.71 1.51 -1.16 -1.13 117.35 116.84 2i85 s TYR 109 Ca 0.06 -0.55 0.09 0.00 -1.01 0.00 0.00 57.07 55.66 2i85 s TYR 109 Cb 0.05 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 2i85 s TYR 109 CO -0.10 0.08 -0.18 0.42 -1.11 0.00 0.00 175.55 174.66 2i85 s ILE 110 N -1.93 1.87 -0.03 2.71 1.09 -0.51 -1.04 121.20 123.36 2i85 s ILE 110 Ca 0.05 -1.99 -0.16 0.00 -1.10 0.00 0.00 60.65 57.44 2i85 s ILE 110 Cb -0.06 -1.91 0.03 0.00 -1.06 0.00 0.00 42.46 39.46 2i85 s ILE 110 CO 0.02 -0.34 0.36 -0.51 -0.10 0.00 0.00 174.94 174.36 2i85 s ILE 111 N -2.17 0.05 0.11 2.92 2.07 -0.54 -2.53 121.20 121.12 2i85 s ILE 111 Ca 0.18 -0.39 0.10 0.00 -1.41 0.00 0.00 60.65 59.13 2i85 s ILE 111 Cb -0.05 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 2i85 s ILE 111 CO 0.07 -0.21 -0.25 -0.55 -1.91 0.00 0.00 174.94 172.09 2i85 s SER 112 N -1.21 3.07 -0.13 4.50 0.15 -0.68 -1.22 113.70 118.19 2i85 s SER 112 Ca -0.12 -0.71 0.24 0.00 0.70 0.00 0.00 55.95 56.06 2i85 s SER 112 Cb -0.04 -0.21 0.46 0.00 -1.71 0.00 0.00 66.02 64.52 2i85 s SER 112 CO 0.05 0.16 1.14 0.35 1.20 0.00 0.00 173.24 176.14 2i85 n THR 113 N 1.09 0.63 0.28 6.45 -2.24 -1.24 -3.26 114.28 115.99 2i85 n THR 113 Ca -0.18 -1.94 0.17 0.00 -2.27 0.00 0.00 64.05 59.82 2i85 n THR 113 Cb 0.53 1.15 0.81 0.00 -2.10 0.00 0.00 70.33 70.71 2i85 n THR 113 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2i85 h SER 114 N 1.79 0.00 0.56 3.42 4.64 -1.88 -2.66 113.55 119.41 2i85 h SER 114 Ca -0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2i85 h SER 114 Cb 1.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2i85 h SER 114 CO 0.13 0.06 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.01 2i85 h ASN 115 N 0.00 0.00 -6.69 4.97 -1.24 -1.92 -3.47 115.58 107.24 2i85 h ASN 115 Ca -0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2i85 h ASN 115 Cb 0.36 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 2i85 h ASN 115 CO 0.01 0.01 -0.95 0.61 -1.29 0.00 0.00 177.43 175.81 2i85 n GLY 116 N -0.47 -0.53 3.51 1.57 0.00 -1.00 -4.87 105.19 103.39 2i85 n GLY 116 Ca -0.01 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2i85 n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i85 n SER 117 N -2.68 -0.12 -0.31 1.61 7.64 -1.26 -4.72 113.62 113.79 2i85 n SER 117 Ca -0.21 0.96 -0.01 0.00 1.01 0.00 0.00 58.87 60.62 2i85 n SER 117 Cb 0.64 -1.19 0.12 0.00 -1.01 0.00 0.00 64.21 62.76 2i85 n SER 117 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2i85 h LEU 118 N 1.07 0.88 -2.33 -3.43 7.12 -1.95 0.16 115.31 116.84 2i85 h LEU 118 Ca -0.41 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.60 2i85 h LEU 118 Cb 1.38 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 2i85 h LEU 118 CO 0.54 0.59 0.00 -0.33 -0.13 0.00 0.00 178.44 179.11 2i85 h GLU 119 N 1.03 0.00 -0.18 1.25 5.08 -1.94 -2.07 114.58 117.75 2i85 h GLU 119 Ca 0.35 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2i85 h GLU 119 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2i85 h GLU 119 CO -0.13 0.00 -0.28 0.41 -1.00 0.00 0.00 179.01 178.00 2i85 n GLY 120 N -1.00 5.02 0.35 -3.84 0.00 0.51 -4.80 105.19 101.43 2i85 n GLY 120 Ca -0.02 -1.27 0.18 0.00 0.00 0.00 0.00 46.02 44.91 2i85 n GLY 120 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2i85 h LEU 121 N 1.00 0.00 0.00 0.99 -0.00 -0.64 -0.33 115.31 116.33 2i85 h LEU 121 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2i85 h LEU 121 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2i85 h LEU 121 CO 0.20 0.00 0.00 -0.67 -0.00 0.00 0.00 178.44 177.97 2i85 n ASP 122 N -3.42 0.00 -1.14 0.17 2.03 -1.26 -4.99 116.55 107.95 2i85 n ASP 122 Ca 0.02 -0.28 0.15 0.00 0.52 0.00 0.00 54.79 55.20 2i85 n ASP 122 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 2i85 n ASP 122 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2i85 n ASN 123 N -0.97 -6.81 -2.18 1.67 4.13 -0.13 -4.92 115.26 106.04 2i85 n ASN 123 Ca 0.06 0.72 -0.20 0.00 1.68 0.00 0.00 54.58 56.84 2i85 n ASN 123 Cb 0.03 -3.62 -0.03 0.00 -1.54 0.00 0.00 39.78 34.62 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i85 n GLN 124 N -3.83 -1.65 -3.75 3.52 6.02 -1.26 -4.94 117.38 111.50 2i85 n GLN 124 Ca -0.02 1.05 -0.13 0.00 -0.01 0.00 0.00 57.00 57.88 2i85 n GLN 124 Cb 0.53 -5.63 -0.10 0.00 1.02 0.00 0.00 30.24 26.06 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2i85 s GLU 125 N -4.68 0.49 0.06 -1.09 2.02 -1.25 -0.46 118.70 113.77 2i85 s GLU 125 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.36 2i85 s GLU 125 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 2i85 s GLU 125 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2i85 n GLY 126 N 2.53 0.30 7.00 -1.39 0.00 0.45 -4.29 105.19 109.79 2i85 n GLY 126 Ca -0.15 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2i85 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i85 n GLY 127 N 0.00 1.04 0.25 -0.02 0.00 -1.26 -1.45 105.19 103.74 2i85 n GLY 127 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.65 2i85 n GLY 127 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2i85 h VAL 128 N 0.00 0.78 -0.74 1.61 -1.51 -1.77 -2.27 116.25 112.35 2i85 h VAL 128 Ca 0.00 -0.57 0.18 0.00 -1.23 0.00 0.00 66.70 65.09 2i85 h VAL 128 Cb 0.00 1.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 2i85 h VAL 128 CO 0.00 0.14 0.51 0.00 -1.23 0.00 0.00 177.57 176.99 2i85 h GLN 130 N 0.21 0.87 -0.43 0.00 4.15 -0.62 -3.18 115.11 116.11 2i85 h GLN 130 Ca 0.36 -0.44 -0.24 0.00 0.77 0.00 0.00 58.65 59.11 2i85 h GLN 130 Cb 1.12 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.43 2i85 h GLN 130 CO -0.07 1.08 -1.09 2.41 -1.93 0.00 0.00 178.83 179.22 2i85 n THR 131 N -4.15 1.22 0.00 2.39 -1.04 -1.07 -4.81 114.28 106.83 2i85 n THR 131 Ca -0.02 -2.86 0.00 0.00 -2.04 0.00 0.00 64.05 59.13 2i85 n THR 131 Cb 0.50 1.28 0.00 0.00 -1.82 0.00 0.00 70.33 70.29 2i85 n THR 131 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2i85 n ARG 132 N -0.62 0.00 -2.69 -2.82 0.00 0.08 -4.99 116.66 105.62 2i85 n ARG 132 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.84 2i85 n ARG 132 Cb 0.80 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.27 2i85 n ARG 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i85 n ALA 133 N -1.99 -3.00 -3.77 5.13 0.00 0.28 -4.85 120.51 112.30 2i85 n ALA 133 Ca 0.00 1.02 -0.33 0.00 0.00 0.00 0.00 53.44 54.13 2i85 n ALA 133 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 19.45 16.04 2i85 n ALA 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2i85 s MET 134 N -2.43 2.66 0.39 0.00 1.75 -1.26 -2.70 119.30 117.71 2i85 s MET 134 Ca 0.21 -2.96 0.05 0.00 -1.25 0.00 0.00 55.69 51.74 2i85 s MET 134 Cb -0.06 -3.66 -0.06 0.00 2.84 0.00 0.00 34.83 33.89 2i85 s MET 134 CO 0.68 -1.22 0.04 0.15 -0.65 0.00 0.00 175.02 174.02 2i85 s LYS 135 N -0.81 1.86 0.04 4.11 3.01 -1.10 -1.68 119.74 125.16 2i85 s LYS 135 Ca 0.22 -2.07 -0.00 0.00 -1.01 0.00 0.00 55.97 53.10 2i85 s LYS 135 Cb -0.14 -1.19 -0.03 0.00 -1.01 0.00 0.00 37.83 35.46 2i85 s LYS 135 CO -0.08 -0.19 -0.03 0.96 0.51 0.00 0.00 175.35 176.51 2i85 s ILE 136 N -3.03 0.20 -0.09 2.17 -5.25 -1.05 -2.58 121.20 111.56 2i85 s ILE 136 Ca 0.31 -1.41 0.04 0.00 -0.99 0.00 0.00 60.65 58.60 2i85 s ILE 136 Cb 0.08 -0.96 0.00 0.00 2.95 0.00 0.00 42.46 44.53 2i85 s ILE 136 CO 0.15 -0.76 -0.22 -0.22 -1.79 0.00 0.00 174.94 172.09 2i85 s LEU 137 N -2.26 2.02 -0.24 0.37 2.96 -1.26 -1.43 118.68 118.84 2i85 s LEU 137 Ca -0.03 -0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 2i85 s LEU 137 Cb -0.00 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 2i85 s LEU 137 CO -0.06 0.14 0.58 -0.04 -1.32 0.00 0.00 176.35 175.65 2i85 s MET 138 N 0.39 4.12 0.39 1.98 -1.94 -0.28 -1.47 119.30 122.49 2i85 s MET 138 Ca -0.18 0.47 -0.26 0.00 -1.71 0.00 0.00 55.69 54.00 2i85 s MET 138 Cb -0.18 -3.63 -0.11 0.00 2.01 0.00 0.00 34.83 32.93 2i85 s MET 138 CO 0.08 -0.33 1.22 1.17 -0.01 0.00 0.00 175.02 177.15 2i85 n LYS 139 N 5.44 1.87 -0.30 2.03 0.00 -0.91 -3.85 118.16 122.45 2i85 n LYS 139 Ca -0.02 0.66 0.12 0.00 0.00 0.00 0.00 58.31 59.07 2i85 n LYS 139 Cb 0.49 -2.29 0.36 0.00 0.00 0.00 0.00 35.03 33.60 2i85 n LYS 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i85 h VAL 140 N 2.14 0.81 0.00 3.15 2.07 -1.95 -3.41 116.25 119.05 2i85 h VAL 140 Ca -0.46 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2i85 h VAL 140 Cb 1.30 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2i85 h VAL 140 CO 0.60 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2i85 n GLY 141 N -1.41 -1.39 0.00 2.17 0.00 -1.26 -0.69 105.19 102.60 2i85 n GLY 141 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26