#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 3.64 -0.26 4.33 2.47 -1.26 -5.07 119.74 123.58 2i85 s LYS 2 Ca 0.00 1.31 -0.01 0.00 -1.56 0.00 0.00 55.97 55.70 2i85 s LYS 2 Cb 0.00 -2.07 0.15 0.00 -1.46 0.00 0.00 37.83 34.45 2i85 s LYS 2 CO 0.00 -0.56 0.43 -1.12 0.16 0.00 0.00 175.35 174.26 2i85 s SER 3 N -2.26 -0.06 0.00 1.43 0.01 -1.26 -4.89 113.70 106.67 2i85 s SER 3 Ca 0.66 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2i85 s SER 3 Cb -0.16 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.39 2i85 s SER 3 CO 0.26 -0.30 0.00 2.30 0.41 0.00 0.00 173.24 175.90 2i85 n ILE 4 N 5.38 0.00 -2.94 1.44 -0.00 -1.26 -5.12 119.36 116.85 2i85 n ILE 4 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.67 2i85 n ILE 4 Cb 0.50 -0.68 0.01 0.00 -0.00 0.00 0.00 39.64 39.47 2i85 n ILE 4 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 2i85 n VAL 5 N -1.87 -8.76 -3.29 7.28 0.31 -1.26 -5.00 118.33 105.73 2i85 n VAL 5 Ca 0.00 1.16 -0.16 0.00 -0.01 0.00 0.00 64.34 65.33 2i85 n VAL 5 Cb 0.40 -5.78 0.03 0.00 -0.91 0.00 0.00 33.84 27.58 2i85 n VAL 5 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i85 n LEU 6 N 0.53 0.00 -4.03 7.52 7.99 -0.04 -4.71 117.00 124.26 2i85 n LEU 6 Ca 0.02 -2.00 -0.35 0.00 -0.01 0.00 0.00 56.01 53.67 2i85 n LEU 6 Cb 0.28 -0.22 -0.02 0.00 -0.11 0.00 0.00 43.42 43.35 2i85 n LEU 6 CO 0.37 -0.61 -0.23 1.21 -1.51 0.00 0.00 177.39 176.62 2i85 n GLU 7 N -1.80 -0.55 -2.57 3.23 2.13 -1.26 -3.99 120.64 115.83 2i85 n GLU 7 Ca 0.08 -0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.48 2i85 n GLU 7 Cb 0.46 -2.25 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 2i85 n GLU 7 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2i85 s PRO 8 N -6.93 3.44 -0.35 5.31 0.04 -1.26 -3.75 135.00 131.51 2i85 s PRO 8 Ca 0.27 -0.82 -0.03 0.00 0.04 0.00 0.00 61.00 60.45 2i85 s PRO 8 Cb -0.15 -4.92 0.07 0.00 0.04 0.00 0.00 34.50 29.53 2i85 s PRO 8 CO 0.82 -2.17 0.10 0.42 0.04 0.00 0.00 177.00 176.20 2i85 s ILE 9 N 5.18 3.31 -0.57 0.56 -1.09 -0.88 -4.66 121.20 123.04 2i85 s ILE 9 Ca 0.42 -1.55 0.05 0.00 -2.23 0.00 0.00 60.65 57.34 2i85 s ILE 9 Cb -0.03 -3.02 0.34 0.00 -1.58 0.00 0.00 42.46 38.17 2i85 s ILE 9 CO -0.01 -0.33 0.94 -1.22 -1.23 0.00 0.00 174.94 173.09 2i85 n TYR 10 N 4.67 3.89 0.00 3.97 4.01 -1.26 -1.25 117.16 131.19 2i85 n TYR 10 Ca -0.09 -4.00 0.00 0.00 -0.16 0.00 0.00 57.90 53.65 2i85 n TYR 10 Cb 0.43 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 2i85 n TYR 10 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 2i85 n TRP 11 N -0.20 0.00 0.32 -0.72 4.27 -0.49 -4.73 117.44 115.89 2i85 n TRP 11 Ca 0.31 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 54.05 2i85 n TRP 11 Cb 0.40 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 31.04 2i85 n TRP 11 CO 0.00 0.00 0.00 -0.91 -2.29 0.00 0.00 177.69 174.49 2i85 h ASN 12 N 0.00 0.00 -6.07 -0.67 2.35 -1.90 -3.46 115.58 105.83 2i85 h ASN 12 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 2i85 h ASN 12 Cb 0.00 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.47 2i85 h ASN 12 CO 0.00 0.00 -0.90 -1.20 -1.65 0.00 0.00 177.43 173.68 2i85 n SER 13 N -2.76 -4.60 -3.62 5.81 7.64 -1.26 -5.02 113.62 109.81 2i85 n SER 13 Ca -0.02 -0.93 -0.18 0.00 1.01 0.00 0.00 58.87 58.75 2i85 n SER 13 Cb 0.44 -3.83 -0.09 0.00 -1.01 0.00 0.00 64.21 59.73 2i85 n SER 13 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2i85 s SER 14 N -3.65 1.46 0.22 6.43 0.01 -1.26 -5.11 113.70 111.80 2i85 s SER 14 Ca 0.37 -1.67 0.10 0.00 1.31 0.00 0.00 55.95 56.06 2i85 s SER 14 Cb -0.11 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 2i85 s SER 14 CO 0.83 -1.00 -0.19 0.20 0.41 0.00 0.00 173.24 173.49 2i85 s ASN 15 N -3.35 3.15 0.26 2.44 0.02 -1.26 -4.50 114.94 111.69 2i85 s ASN 15 Ca 0.39 -0.97 -0.03 0.00 -1.02 0.00 0.00 52.86 51.23 2i85 s ASN 15 Cb 0.03 -0.23 0.32 0.00 0.02 0.00 0.00 41.25 41.39 2i85 s ASN 15 CO 0.23 -0.01 1.81 0.77 0.02 0.00 0.00 177.10 179.92 2i85 h SER 16 N 2.69 0.89 -0.08 -1.22 4.64 -1.97 -2.97 113.55 115.53 2i85 h SER 16 Ca -0.41 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 60.55 2i85 h SER 16 Cb 1.23 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2i85 h SER 16 CO 0.57 0.84 -0.70 0.11 -0.87 0.00 0.00 176.83 176.77 2i85 h LYS 17 N 0.93 0.71 -6.77 4.77 1.57 -1.97 -3.49 116.57 112.33 2i85 h LYS 17 Ca 0.21 -0.54 -0.47 0.00 -1.87 0.00 0.00 60.65 57.97 2i85 h LYS 17 Cb 0.27 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2i85 h LYS 17 CO -0.01 1.16 -0.92 0.34 -0.57 0.00 0.00 179.45 179.45 2i85 n PHE 18 N -3.93 -1.47 -4.23 -1.35 7.35 -1.13 -4.99 117.46 107.71 2i85 n PHE 18 Ca -0.06 0.40 -0.14 0.00 -0.76 0.00 0.00 57.45 56.89 2i85 n PHE 18 Cb 0.70 -2.35 -0.10 0.00 0.35 0.00 0.00 39.48 38.08 2i85 n PHE 18 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 2i85 s LEU 19 N -5.77 2.52 -0.07 -2.13 0.05 -1.26 -5.05 118.68 106.97 2i85 s LEU 19 Ca 0.20 -0.99 -0.04 0.00 0.05 0.00 0.00 54.13 53.35 2i85 s LEU 19 Cb -0.11 -0.31 -0.16 0.00 -2.05 0.00 0.00 46.19 43.56 2i85 s LEU 19 CO 0.80 -0.34 2.42 -0.81 -0.55 0.00 0.00 176.35 177.87 2i85 n PRO 20 N -0.10 1.31 -2.17 1.48 -0.04 -1.26 -4.18 135.00 130.04 2i85 n PRO 20 Ca -0.11 -0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 62.43 2i85 n PRO 20 Cb 0.60 -1.85 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 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 2.76 6.14 3.01 0.55 0.00 -1.26 -4.89 105.19 111.50 2i85 n GLY 21 Ca 0.28 -2.64 -0.21 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.64 -3.63 0.00 1.61 6.02 -1.26 -4.46 117.38 115.02 2i85 n GLN 22 Ca 0.41 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 58.10 2i85 n GLN 22 Cb 0.88 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.71 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 -1.23 0.94 2.93 1.08 0.00 -0.38 -2.77 105.19 105.75 2i85 n GLY 23 Ca -0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 0.41 0.09 0.99 2.96 -1.11 -4.25 118.68 117.76 2i85 s LEU 24 Ca 0.00 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.99 2i85 s LEU 24 Cb 0.00 0.41 -0.06 0.00 0.50 0.00 0.00 46.19 47.05 2i85 s LEU 24 CO 0.00 -0.18 0.89 -0.69 -1.32 0.00 0.00 176.35 175.05 2i85 s VAL 25 N 1.55 4.58 0.36 1.68 1.01 -1.26 -3.51 120.40 124.81 2i85 s VAL 25 Ca -0.05 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.91 2i85 s VAL 25 Cb -0.12 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 2i85 s VAL 25 CO -0.06 0.33 0.00 -0.76 0.00 0.00 0.00 175.10 174.61 2i85 s LEU 26 N -0.02 2.60 -0.17 3.92 2.01 0.11 -4.94 118.68 122.19 2i85 s LEU 26 Ca 0.44 -1.33 -0.01 0.00 0.01 0.00 0.00 54.13 53.24 2i85 s LEU 26 Cb -0.22 -0.72 0.04 0.00 0.01 0.00 0.00 46.19 45.30 2i85 s LEU 26 CO 0.27 -0.45 -0.03 -0.31 1.01 0.00 0.00 176.35 176.84 2i85 s TYR 27 N -2.91 1.51 -1.23 0.29 1.51 -1.26 -1.22 117.35 114.04 2i85 s TYR 27 Ca 0.34 -0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 55.21 2i85 s TYR 27 Cb 0.08 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 2i85 s TYR 27 CO 0.16 -0.60 1.87 -0.35 -1.11 0.00 0.00 175.55 175.52 2i85 n PRO 28 N 4.92 2.21 -3.81 -1.71 -0.04 -1.26 -4.88 135.00 130.43 2i85 n PRO 28 Ca -0.11 -2.76 -0.26 0.00 -0.04 0.00 0.00 63.50 60.33 2i85 n PRO 28 Cb 0.48 -3.63 -0.17 0.00 -0.04 0.00 0.00 33.50 30.14 2i85 n PRO 28 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2i85 s GLN 29 N 5.56 0.95 -0.46 0.54 -1.52 -1.26 -4.88 119.66 118.60 2i85 s GLN 29 Ca 0.63 -0.25 -0.26 0.00 -1.95 0.00 0.00 55.36 53.52 2i85 s GLN 29 Cb 0.02 -1.65 -0.06 0.00 -0.22 0.00 0.00 33.01 31.09 2i85 s GLN 29 CO 0.11 -0.43 2.33 0.42 -0.25 0.00 0.00 175.29 177.47 2i85 s ILE 30 N 1.82 3.04 0.00 1.08 -1.09 -1.26 -3.06 121.20 121.73 2i85 s ILE 30 Ca 0.02 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2i85 s ILE 30 Cb -0.14 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2i85 s ILE 30 CO -0.07 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.16 2i85 n GLY 31 N 5.94 0.41 3.92 6.18 0.00 -1.26 -5.04 105.19 115.34 2i85 n GLY 31 Ca 0.34 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2i85 n GLY 31 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i85 s ASP 32 N 0.00 3.58 0.04 1.61 -4.77 -1.17 -4.36 116.67 111.59 2i85 s ASP 32 Ca 0.00 0.42 -0.09 0.00 -3.30 0.00 0.00 52.55 49.58 2i85 s ASP 32 Cb 0.00 -0.61 0.00 0.00 -1.09 0.00 0.00 42.92 41.22 2i85 s ASP 32 CO 0.00 -2.45 0.19 -1.59 0.70 0.00 0.00 175.17 172.02 2i85 s LYS 33 N -5.78 0.68 -0.05 2.11 -2.85 -1.26 -1.83 119.74 110.75 2i85 s LYS 33 Ca 0.70 -0.61 -0.02 0.00 -1.00 0.00 0.00 55.97 55.04 2i85 s LYS 33 Cb -0.06 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2i85 s LYS 33 CO 0.52 -0.19 0.11 -0.48 0.10 0.00 0.00 175.35 175.41 2i85 s LEU 34 N -2.03 0.91 -0.23 2.77 2.34 -0.22 -0.86 118.68 121.36 2i85 s LEU 34 Ca -0.06 0.23 0.01 0.00 0.06 0.00 0.00 54.13 54.37 2i85 s LEU 34 Cb -0.02 0.26 0.06 0.00 -0.56 0.00 0.00 46.19 45.93 2i85 s LEU 34 CO -0.03 -0.13 -0.08 1.51 -1.06 0.00 0.00 176.35 176.55 2i85 s ASP 35 N 1.02 3.91 -0.26 1.48 1.47 -1.25 -1.01 116.67 122.03 2i85 s ASP 35 Ca -0.08 -1.16 -0.09 0.00 1.18 0.00 0.00 52.55 52.39 2i85 s ASP 35 Cb -0.11 -1.30 -0.04 0.00 -0.34 0.00 0.00 42.92 41.13 2i85 s ASP 35 CO -0.05 -0.20 0.14 -0.51 0.68 0.00 0.00 175.17 175.23 2i85 s ILE 36 N 1.31 4.96 -0.06 2.11 2.07 -0.32 -2.07 121.20 129.20 2i85 s ILE 36 Ca -0.06 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 2i85 s ILE 36 Cb -0.18 -3.33 0.02 0.00 0.13 0.00 0.00 42.46 39.09 2i85 s ILE 36 CO -0.06 0.31 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.58 2i85 s ILE 37 N 1.48 0.75 -0.02 2.00 1.01 -0.38 -1.22 121.20 124.82 2i85 s ILE 37 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2i85 s ILE 37 Cb -0.15 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.58 2i85 s ILE 37 CO 0.07 0.28 -0.05 0.00 0.00 0.00 0.00 174.94 175.24 2i85 s PRO 39 N 0.38 2.47 0.01 0.00 0.04 -1.26 -2.01 135.00 134.63 2i85 s PRO 39 Ca -0.04 0.25 0.24 0.00 0.04 0.00 0.00 61.00 61.49 2i85 s PRO 39 Cb -0.08 -2.02 0.29 0.00 0.04 0.00 0.00 34.50 32.73 2i85 s PRO 39 CO -0.00 -1.25 1.26 0.36 0.04 0.00 0.00 177.00 177.41 2i85 n LYS 40 N -3.10 0.06 -3.64 4.56 0.00 -1.26 -4.45 118.16 110.32 2i85 n LYS 40 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.33 2i85 n LYS 40 Cb 0.59 -1.53 -0.07 0.00 -0.00 0.00 0.00 35.03 34.03 2i85 n LYS 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2i85 s VAL 41 N -3.04 0.00 0.08 0.58 -7.23 -1.26 -4.59 120.40 104.95 2i85 s VAL 41 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 2i85 s VAL 41 Cb 0.17 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.11 2i85 s VAL 41 CO 0.75 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 176.01 2i85 n ASP 42 N 3.47 -0.73 -0.12 4.85 8.00 -1.26 -4.84 116.55 125.91 2i85 n ASP 42 Ca -0.17 0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 2i85 n ASP 42 Cb 0.57 1.09 0.06 0.00 -0.02 0.00 0.00 41.12 42.82 2i85 n ASP 42 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2i85 h SER 43 N 0.00 0.89 0.28 -2.24 0.87 -1.99 -3.27 113.55 108.09 2i85 h SER 43 Ca 0.00 -0.31 -0.33 0.00 -1.23 0.00 0.00 61.79 59.92 2i85 h SER 43 Cb 0.00 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 2i85 h SER 43 CO 0.00 1.06 -1.97 0.29 -0.53 0.00 0.00 176.83 175.67 2i85 n LYS 44 N -4.12 0.67 -3.02 2.24 4.76 -1.26 -5.00 118.16 112.42 2i85 n LYS 44 Ca 0.01 0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2i85 n LYS 44 Cb 0.43 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 2i85 n LYS 44 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2i85 n THR 45 N -3.08 -0.14 0.01 -0.18 5.66 -1.24 -4.84 114.28 110.47 2i85 n THR 45 Ca -0.25 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.78 2i85 n THR 45 Cb 1.07 -0.42 -0.11 0.00 -1.55 0.00 0.00 70.33 69.33 2i85 n THR 45 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2i85 n VAL 46 N -3.04 0.82 -0.84 1.08 3.14 -1.26 -4.99 118.33 113.23 2i85 n VAL 46 Ca 0.01 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2i85 n VAL 46 Cb 0.50 -0.43 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2i85 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i85 n GLY 47 N 1.39 1.29 0.00 7.55 0.00 -1.26 -4.93 105.19 109.23 2i85 n GLY 47 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.91 0.00 0.00 1.61 10.64 -1.26 -5.12 117.38 122.34 2i85 n GLN 48 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2i85 n GLN 48 Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.58 2i85 n GLN 48 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2i85 n TYR 49 N 0.00 0.00 -3.32 2.61 9.36 -1.26 -4.96 117.16 119.59 2i85 n TYR 49 Ca 0.00 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.07 2i85 n TYR 49 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 2i85 n TYR 49 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2i85 n GLU 50 N 0.00 -1.68 -4.33 2.98 4.07 -1.26 -4.51 120.64 115.91 2i85 n GLU 50 Ca 0.00 0.96 -0.17 0.00 -0.06 0.00 0.00 57.16 57.89 2i85 n GLU 50 Cb 0.00 -5.19 -0.10 0.00 -0.06 0.00 0.00 31.44 26.09 2i85 n GLU 50 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 2i85 s TYR 51 N -3.26 1.59 0.29 4.31 -0.85 -1.26 -4.00 117.35 114.17 2i85 s TYR 51 Ca 0.29 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 56.19 2i85 s TYR 51 Cb -0.06 -0.82 -0.06 0.00 0.38 0.00 0.00 41.96 41.39 2i85 s TYR 51 CO 0.78 0.18 -0.06 0.71 -1.52 0.00 0.00 175.55 175.64 2i85 s TYR 52 N -3.18 2.04 -0.08 -3.49 1.51 -0.30 -5.03 117.35 108.82 2i85 s TYR 52 Ca 0.23 -0.67 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 2i85 s TYR 52 Cb 0.02 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2i85 s TYR 52 CO 0.06 0.33 0.30 -1.59 -1.11 0.00 0.00 175.55 173.54 2i85 s LYS 53 N -3.71 0.48 -0.02 -0.62 -2.85 -1.26 -2.30 119.74 109.46 2i85 s LYS 53 Ca 0.30 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 2i85 s LYS 53 Cb 0.04 0.22 0.02 0.00 -2.06 0.00 0.00 37.83 36.05 2i85 s LYS 53 CO 0.13 -0.10 0.01 0.08 0.10 0.00 0.00 175.35 175.57 2i85 s VAL 54 N -0.44 0.07 -0.02 1.79 1.01 -0.65 -4.32 120.40 117.84 2i85 s VAL 54 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2i85 s VAL 54 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2i85 s VAL 54 CO 0.02 0.10 -0.12 -0.31 0.00 0.00 0.00 175.10 174.79 2i85 s TYR 55 N 0.85 1.14 0.67 5.22 1.51 -0.92 -2.26 117.35 123.56 2i85 s TYR 55 Ca -0.08 -0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 2i85 s TYR 55 Cb -0.11 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2i85 s TYR 55 CO -0.02 -0.05 1.22 0.00 -1.11 0.00 0.00 175.55 175.60 2i85 s MET 56 N -0.17 2.47 0.21 -0.62 0.23 -1.26 -1.21 119.30 118.95 2i85 s MET 56 Ca 0.03 1.83 -0.23 0.00 -1.03 0.00 0.00 55.69 56.28 2i85 s MET 56 Cb -0.06 -1.87 0.05 0.00 -1.53 0.00 0.00 34.83 31.42 2i85 s MET 56 CO -0.00 -1.60 0.81 0.54 -2.03 0.00 0.00 175.02 172.74 2i85 s VAL 57 N -1.77 0.00 0.81 5.16 0.11 -0.55 -4.76 120.40 119.41 2i85 s VAL 57 Ca 0.77 -0.72 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 2i85 s VAL 57 Cb -0.31 -1.84 0.08 0.00 -1.53 0.00 0.00 36.38 32.77 2i85 s VAL 57 CO 0.41 0.00 1.09 -1.81 -3.33 0.00 0.00 175.10 171.45 2i85 s ASP 58 N -2.89 4.29 0.19 3.54 1.01 -1.26 -4.03 116.67 117.53 2i85 s ASP 58 Ca 0.10 1.60 -0.14 0.00 0.71 0.00 0.00 52.55 54.82 2i85 s ASP 58 Cb -0.04 -2.32 0.20 0.00 1.01 0.00 0.00 42.92 41.77 2i85 s ASP 58 CO 0.02 -2.14 1.66 0.50 0.21 0.00 0.00 175.17 175.43 2i85 h LYS 59 N -1.20 0.05 -0.01 8.23 3.11 -1.96 0.12 116.57 124.91 2i85 h LYS 59 Ca -0.46 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2i85 h LYS 59 Cb 1.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2i85 h LYS 59 CO 0.54 0.04 0.00 0.22 -2.81 0.00 0.00 179.45 177.44 2i85 h ASP 60 N 0.06 -0.00 -0.33 4.20 3.58 -1.99 -1.49 116.42 120.45 2i85 h ASP 60 Ca 0.26 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 2i85 h ASP 60 Cb 0.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2i85 h ASP 60 CO -0.49 0.00 0.06 1.56 -2.88 0.00 0.00 179.24 177.49 2i85 h GLN 61 N 0.01 0.63 0.02 0.28 1.08 -1.77 0.39 115.11 115.75 2i85 h GLN 61 Ca 0.00 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2i85 h GLN 61 Cb 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2i85 h GLN 61 CO -0.01 0.61 -0.01 0.00 -0.95 0.00 0.00 178.83 178.48 2i85 h ALA 62 N 1.46 -0.02 -0.12 3.87 0.00 -0.64 -1.53 119.26 122.27 2i85 h ALA 62 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2i85 h ALA 62 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2i85 h ALA 62 CO 0.00 -0.39 -0.30 0.22 0.00 0.00 0.00 179.25 178.78 2i85 h ASP 63 N -0.26 0.23 0.20 0.00 1.82 -1.00 -1.80 116.42 115.61 2i85 h ASP 63 Ca -0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2i85 h ASP 63 Cb 0.25 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2i85 h ASP 63 CO 0.00 0.53 0.00 0.03 -1.61 0.00 0.00 179.24 178.19 2i85 h ARG 64 N 0.20 0.00 -5.87 0.28 2.47 -0.87 -3.47 114.38 107.12 2i85 h ARG 64 Ca 0.03 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.36 2i85 h ARG 64 Cb 0.64 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 29.07 2i85 h ARG 64 CO 0.05 0.00 -0.76 0.00 0.56 0.00 0.00 179.97 179.82 2i85 s THR 66 N -3.41 0.74 -0.12 0.00 -4.23 -0.61 -0.52 115.64 107.50 2i85 s THR 66 Ca 0.23 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 2i85 s THR 66 Cb -0.11 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 2i85 s THR 66 CO 0.76 -0.54 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.52 2i85 s ILE 67 N -2.21 2.81 0.14 2.99 -1.09 0.31 -4.37 121.20 119.78 2i85 s ILE 67 Ca 0.00 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 2i85 s ILE 67 Cb -0.04 -2.16 -0.08 0.00 -1.58 0.00 0.00 42.46 38.61 2i85 s ILE 67 CO -0.01 0.53 1.26 -0.75 -1.23 0.00 0.00 174.94 174.74 2i85 s LYS 68 N 0.32 4.42 0.50 2.79 2.47 -1.26 -4.89 119.74 124.09 2i85 s LYS 68 Ca -0.12 1.92 0.33 0.00 -1.56 0.00 0.00 55.97 56.54 2i85 s LYS 68 Cb -0.16 -3.26 1.57 0.00 -1.46 0.00 0.00 37.83 34.52 2i85 s LYS 68 CO 0.06 -0.23 2.00 0.87 0.16 0.00 0.00 175.35 178.21 2i85 h LYS 69 N 5.97 0.00 0.00 4.03 1.57 -1.99 -2.18 116.57 123.96 2i85 h LYS 69 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2i85 h LYS 69 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2i85 h LYS 69 CO 0.79 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 180.06 2i85 n GLU 70 N -2.80 0.01 -1.16 3.15 1.02 -1.26 -4.81 120.64 114.79 2i85 n GLU 70 Ca -0.00 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 2i85 n GLU 70 Cb 0.18 -1.52 0.25 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.07 0.75 0.09 1.62 0.01 -0.82 -5.12 114.94 108.41 2i85 s ASN 71 Ca 0.09 0.45 0.03 0.00 -0.71 0.00 0.00 52.86 52.72 2i85 s ASN 71 Cb 0.13 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 2i85 s ASN 71 CO 0.37 -4.21 -0.10 0.42 -1.51 0.00 0.00 177.10 172.07 2i85 s THR 72 N -3.13 0.90 -1.14 1.60 -4.23 -1.26 -5.08 115.64 103.30 2i85 s THR 72 Ca 0.73 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.38 2i85 s THR 72 Cb -0.07 -1.34 -0.07 0.00 1.34 0.00 0.00 72.50 72.36 2i85 s THR 72 CO 0.55 -0.57 1.92 -2.16 -0.54 0.00 0.00 174.62 173.83 2i85 s PRO 73 N -2.79 2.58 0.02 3.99 0.04 -1.26 -4.71 135.00 132.86 2i85 s PRO 73 Ca 0.05 -1.05 -0.25 0.00 0.04 0.00 0.00 61.00 59.78 2i85 s PRO 73 Cb -0.03 -5.23 -0.17 0.00 0.04 0.00 0.00 34.50 29.12 2i85 s PRO 73 CO -0.00 -3.79 1.33 1.25 0.04 0.00 0.00 177.00 175.82 2i85 h LEU 74 N 17.50 -0.28 -8.03 -3.56 7.12 -1.99 -3.44 115.31 122.64 2i85 h LEU 74 Ca 0.21 -0.19 -0.65 0.00 0.13 0.00 0.00 57.88 57.38 2i85 h LEU 74 Cb 0.95 0.07 -0.35 0.00 -0.53 0.00 0.00 40.66 40.80 2i85 h LEU 74 CO 1.23 0.05 -0.85 -0.22 -0.13 0.00 0.00 178.44 178.52 2i85 s LEU 75 N -9.58 2.02 -0.58 2.25 1.98 -0.96 -5.04 118.68 108.77 2i85 s LEU 75 Ca -0.15 -0.60 0.06 0.00 -2.89 0.00 0.00 54.13 50.55 2i85 s LEU 75 Cb 0.03 -1.40 0.32 0.00 0.66 0.00 0.00 46.19 45.79 2i85 s LEU 75 CO 0.58 -0.01 0.87 0.59 -1.89 0.00 0.00 176.35 176.50 2i85 n ASN 76 N 4.61 3.94 -4.15 3.68 4.13 -1.26 -1.64 115.26 124.58 2i85 n ASN 76 Ca -0.20 -3.55 -0.18 0.00 1.68 0.00 0.00 54.58 52.33 2i85 n ASN 76 Cb 0.50 -0.59 -0.09 0.00 -1.54 0.00 0.00 39.78 38.06 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i85 n ALA 78 N 13.01 -0.93 -0.23 0.00 0.00 -1.25 -1.15 120.51 129.95 2i85 n ALA 78 Ca 0.31 0.29 0.03 0.00 0.00 0.00 0.00 53.44 54.07 2i85 n ALA 78 Cb 0.44 -4.04 0.15 0.00 0.00 0.00 0.00 19.45 16.00 2i85 n ALA 78 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i85 h LYS 79 N -1.81 0.29 0.00 0.00 1.63 -1.73 -3.36 116.57 111.59 2i85 h LYS 79 Ca -0.43 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2i85 h LYS 79 Cb 1.28 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2i85 h LYS 79 CO 0.43 0.19 0.00 -0.35 -3.45 0.00 0.00 179.45 176.27 2i85 n PRO 80 N -5.11 0.00 -0.76 1.90 -0.04 -1.26 -4.98 135.00 124.74 2i85 n PRO 80 Ca 0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2i85 n PRO 80 Cb 0.38 -0.36 -0.04 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.28 -0.58 -3.86 3.54 -0.08 -1.26 -5.01 116.55 109.02 2i85 n ASP 81 Ca 0.00 -1.32 -0.11 0.00 -1.51 0.00 0.00 54.79 51.86 2i85 n ASP 81 Cb 0.00 0.18 -0.09 0.00 2.34 0.00 0.00 41.12 43.55 2i85 n ASP 81 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2i85 s GLN 82 N 0.00 0.62 0.28 -0.67 0.74 -1.26 -4.97 119.66 114.40 2i85 s GLN 82 Ca 0.00 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.57 2i85 s GLN 82 Cb 0.00 0.26 -0.12 0.00 1.10 0.00 0.00 33.01 34.24 2i85 s GLN 82 CO 0.00 -0.17 1.48 -0.40 -0.55 0.00 0.00 175.29 175.65 2i85 n ASP 83 N 0.96 3.28 -4.55 6.67 5.75 -1.26 -3.90 116.55 123.51 2i85 n ASP 83 Ca -0.20 1.16 -0.34 0.00 -0.01 0.00 0.00 54.79 55.40 2i85 n ASP 83 Cb 0.58 -1.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.03 2i85 n ASP 83 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2i85 s ILE 84 N -0.24 3.73 -0.03 2.12 1.10 -0.85 -4.90 121.20 122.13 2i85 s ILE 84 Ca 0.64 -0.45 -0.01 0.00 -0.51 0.00 0.00 60.65 60.32 2i85 s ILE 84 Cb -0.56 -2.56 0.03 0.00 0.15 0.00 0.00 42.46 39.52 2i85 s ILE 84 CO 0.52 0.56 0.06 -0.75 -2.11 0.00 0.00 174.94 173.22 2i85 s LYS 85 N -0.39 -0.02 -0.12 3.50 2.36 -1.26 -1.27 119.74 122.54 2i85 s LYS 85 Ca 0.06 0.27 -0.02 0.00 -2.55 0.00 0.00 55.97 53.73 2i85 s LYS 85 Cb -0.12 -0.27 0.04 0.00 -1.05 0.00 0.00 37.83 36.42 2i85 s LYS 85 CO 0.02 -0.20 0.00 -0.06 1.55 0.00 0.00 175.35 176.67 2i85 s PHE 86 N 1.31 0.93 -0.23 4.03 0.40 -0.36 -5.02 117.98 119.03 2i85 s PHE 86 Ca -0.07 -0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 2i85 s PHE 86 Cb -0.13 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.45 2i85 s PHE 86 CO -0.04 -0.46 -0.04 -0.08 0.70 0.00 0.00 175.22 175.30 2i85 s THR 87 N 1.89 3.36 -0.23 0.64 -1.32 -1.26 -1.18 115.64 117.54 2i85 s THR 87 Ca 0.03 -0.56 -0.10 0.00 -1.21 0.00 0.00 61.69 59.85 2i85 s THR 87 Cb -0.14 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 2i85 s THR 87 CO -0.07 0.38 0.14 -0.63 -2.21 0.00 0.00 174.62 172.24 2i85 s ILE 88 N 1.47 5.26 0.14 5.08 1.01 -0.18 -5.01 121.20 128.97 2i85 s ILE 88 Ca 0.05 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.90 2i85 s ILE 88 Cb -0.15 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2i85 s ILE 88 CO -0.03 0.36 0.08 -0.75 0.00 0.00 0.00 174.94 174.61 2i85 s LYS 89 N 0.96 2.75 -0.62 2.79 2.20 -1.26 -1.06 119.74 125.50 2i85 s LYS 89 Ca 0.07 -0.89 -0.33 0.00 -0.36 0.00 0.00 55.97 54.46 2i85 s LYS 89 Cb -0.13 -2.59 -0.15 0.00 -1.51 0.00 0.00 37.83 33.45 2i85 s LYS 89 CO 0.03 0.50 2.41 1.97 -0.36 0.00 0.00 175.35 179.90 2i85 n PHE 90 N -0.06 1.15 -3.64 4.03 -1.74 -0.76 -4.93 117.46 111.50 2i85 n PHE 90 Ca -0.09 0.34 -0.22 0.00 -0.56 0.00 0.00 57.45 56.93 2i85 n PHE 90 Cb 0.54 -2.47 -0.17 0.00 1.52 0.00 0.00 39.48 38.90 2i85 n PHE 90 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 2i85 s GLN 91 N 7.60 -0.01 0.27 3.97 2.00 -1.26 -4.88 119.66 127.35 2i85 s GLN 91 Ca 1.18 0.22 0.04 0.00 -2.00 0.00 0.00 55.36 54.79 2i85 s GLN 91 Cb -0.93 -1.00 0.38 0.00 0.80 0.00 0.00 33.01 32.25 2i85 s GLN 91 CO 0.46 -0.47 1.67 0.93 -0.50 0.00 0.00 175.29 177.38 2i85 h GLU 92 N 8.42 0.35 -3.41 1.67 5.08 -1.92 -3.44 114.58 121.34 2i85 h GLU 92 Ca -0.13 -0.17 -0.35 0.00 -1.00 0.00 0.00 59.36 57.70 2i85 h GLU 92 Cb 1.13 -0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.01 2i85 h GLU 92 CO 0.21 0.70 -0.74 -0.06 -1.00 0.00 0.00 179.01 178.12 2i85 s PHE 93 N -4.19 0.09 -0.04 4.33 0.40 -1.26 -4.87 117.98 112.44 2i85 s PHE 93 Ca -0.06 0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 2i85 s PHE 93 Cb 0.13 -0.42 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 2i85 s PHE 93 CO 0.79 -0.16 0.63 0.45 0.70 0.00 0.00 175.22 177.63 2i85 s SER 94 N 1.78 6.96 0.23 1.36 0.15 -1.26 -4.98 113.70 117.93 2i85 s SER 94 Ca 0.00 1.15 0.24 0.00 0.70 0.00 0.00 55.95 58.04 2i85 s SER 94 Cb -0.12 -2.38 0.92 0.00 -1.71 0.00 0.00 66.02 62.73 2i85 s SER 94 CO -0.03 -0.00 1.73 -0.81 1.20 0.00 0.00 173.24 175.32 2i85 n PRO 95 N 3.28 0.21 -3.67 5.44 -0.04 -1.26 -4.68 135.00 134.27 2i85 n PRO 95 Ca -0.04 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2i85 n PRO 95 Cb 0.51 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 2i85 n PRO 95 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2i85 s ASN 96 N -4.27 0.10 0.10 3.54 2.47 -1.26 -5.07 114.94 110.54 2i85 s ASN 96 Ca 0.07 0.68 0.00 0.00 0.42 0.00 0.00 52.86 54.02 2i85 s ASN 96 Cb 0.10 0.78 0.00 0.00 -1.45 0.00 0.00 41.25 40.69 2i85 s ASN 96 CO 0.46 -0.22 0.00 0.18 -3.72 0.00 0.00 177.10 173.79 2i85 n LEU 97 N 5.13 -5.62 0.00 3.21 7.99 -1.26 -4.86 117.00 121.58 2i85 n LEU 97 Ca -0.10 2.55 0.05 0.00 -0.01 0.00 0.00 56.01 58.49 2i85 n LEU 97 Cb 0.50 -2.83 0.32 0.00 -0.11 0.00 0.00 43.42 41.30 2i85 n LEU 97 CO 0.04 -1.94 0.53 0.79 -1.51 0.00 0.00 177.39 175.30 2i85 n TRP 98 N 1.55 0.00 0.24 -1.77 8.01 -1.26 -3.35 117.44 120.86 2i85 n TRP 98 Ca 0.00 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.34 2i85 n TRP 98 Cb 0.00 0.00 0.83 0.00 -2.01 0.00 0.00 31.31 30.13 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2i85 h GLY 99 N 2.20 0.00 0.91 6.99 0.00 -1.99 -1.84 103.07 109.34 2i85 h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2i85 h GLY 99 CO 0.00 0.00 -0.56 1.04 0.00 0.00 0.00 176.54 177.02 2i85 n LEU 100 N -3.95 0.55 -4.81 3.11 4.77 -1.21 -4.87 117.00 110.60 2i85 n LEU 100 Ca -0.01 -0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 2i85 n LEU 100 Cb 0.21 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2i85 n LEU 100 CO 0.29 0.13 0.45 -1.61 -1.33 0.00 0.00 177.39 175.31 2i85 s GLU 101 N -3.01 4.33 0.08 3.23 2.02 -0.69 -4.84 118.70 119.82 2i85 s GLU 101 Ca 0.10 0.95 0.02 0.00 0.02 0.00 0.00 54.97 56.07 2i85 s GLU 101 Cb 0.17 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2i85 s GLU 101 CO 0.72 0.42 -0.07 -0.06 0.02 0.00 0.00 175.26 176.28 2i85 s PHE 102 N -1.47 0.86 -0.05 1.61 0.08 -1.26 -5.00 117.98 112.76 2i85 s PHE 102 Ca 0.42 -0.78 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2i85 s PHE 102 Cb -0.18 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2i85 s PHE 102 CO 0.22 -0.11 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.38 2i85 s GLN 103 N -3.15 2.42 1.10 0.44 1.11 -1.26 -5.13 119.66 115.19 2i85 s GLN 103 Ca 0.06 -0.81 -0.16 0.00 0.01 0.00 0.00 55.36 54.46 2i85 s GLN 103 Cb 0.00 -2.24 0.24 0.00 -1.01 0.00 0.00 33.01 30.00 2i85 s GLN 103 CO -0.03 0.54 1.12 -1.59 0.01 0.00 0.00 175.29 175.34 2i85 s LYS 104 N -0.53 -0.38 -1.15 2.91 0.00 -1.26 -4.00 119.74 115.32 2i85 s LYS 104 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.19 2i85 s LYS 104 Cb -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 37.83 36.04 2i85 s LYS 104 CO 0.01 -3.19 0.00 0.09 0.00 0.00 0.00 175.35 172.25 2i85 n ASN 105 N -4.43 -4.10 -3.72 0.03 4.13 -0.67 -4.95 115.26 101.54 2i85 n ASN 105 Ca 0.10 0.18 -0.13 0.00 1.68 0.00 0.00 54.58 56.40 2i85 n ASN 105 Cb 0.59 -3.49 -0.10 0.00 -1.54 0.00 0.00 39.78 35.24 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2i85 s LYS 106 N -4.93 0.51 0.19 3.52 2.36 -0.79 -5.03 119.74 115.56 2i85 s LYS 106 Ca 0.00 0.61 0.11 0.00 -2.55 0.00 0.00 55.97 54.14 2i85 s LYS 106 Cb 0.00 0.25 -0.04 0.00 -1.05 0.00 0.00 37.83 36.99 2i85 s LYS 106 CO 0.00 -0.06 -0.23 0.34 1.55 0.00 0.00 175.35 176.95 2i85 s ASP 107 N 0.23 3.53 0.03 1.43 -1.08 -1.26 -4.24 116.67 115.31 2i85 s ASP 107 Ca -0.00 -0.82 0.03 0.00 -0.52 0.00 0.00 52.55 51.24 2i85 s ASP 107 Cb -0.03 -0.31 -0.02 0.00 -1.46 0.00 0.00 42.92 41.10 2i85 s ASP 107 CO 0.01 0.12 -0.09 -0.47 0.52 0.00 0.00 175.17 175.26 2i85 s TYR 108 N -1.62 0.77 0.00 -5.34 6.14 -1.23 -4.98 117.35 111.09 2i85 s TYR 108 Ca 0.21 -0.37 0.03 0.00 0.64 0.00 0.00 57.07 57.57 2i85 s TYR 108 Cb -0.08 -0.46 -0.01 0.00 0.42 0.00 0.00 41.96 41.83 2i85 s TYR 108 CO 0.10 -0.03 -0.09 0.71 0.64 0.00 0.00 175.55 176.88 2i85 s TYR 109 N -0.97 0.80 0.06 4.97 1.51 -1.26 -0.97 117.35 121.49 2i85 s TYR 109 Ca -0.04 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2i85 s TYR 109 Cb -0.08 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 2i85 s TYR 109 CO 0.01 -0.01 -0.07 0.42 -1.11 0.00 0.00 175.55 174.79 2i85 s ILE 110 N -0.37 0.51 -0.02 2.71 1.01 -1.02 -1.48 121.20 122.55 2i85 s ILE 110 Ca 0.02 -1.35 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 2i85 s ILE 110 Cb -0.04 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.51 2i85 s ILE 110 CO -0.00 -0.58 0.27 -0.51 0.00 0.00 0.00 174.94 174.12 2i85 s ILE 111 N -2.20 0.06 -0.02 2.92 2.07 -0.35 -1.24 121.20 122.45 2i85 s ILE 111 Ca -0.03 -0.50 0.06 0.00 -1.41 0.00 0.00 60.65 58.76 2i85 s ILE 111 Cb -0.04 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 2i85 s ILE 111 CO -0.02 -0.27 -0.18 -0.55 -1.91 0.00 0.00 174.94 172.00 2i85 s SER 112 N -1.25 2.17 -0.03 4.50 0.15 -0.66 -2.17 113.70 116.41 2i85 s SER 112 Ca -0.13 -0.34 0.13 0.00 0.70 0.00 0.00 55.95 56.31 2i85 s SER 112 Cb -0.06 -0.28 0.23 0.00 -1.71 0.00 0.00 66.02 64.21 2i85 s SER 112 CO 0.03 0.22 1.10 0.35 1.20 0.00 0.00 173.24 176.14 2i85 n THR 113 N 2.68 0.33 0.28 6.45 -2.24 -1.26 -3.49 114.28 117.03 2i85 n THR 113 Ca -0.15 -0.85 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2i85 n THR 113 Cb 0.54 0.58 0.83 0.00 -2.10 0.00 0.00 70.33 70.18 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 0.49 0.00 0.15 3.42 4.64 -1.94 -1.81 113.55 118.49 2i85 h SER 114 Ca -0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2i85 h SER 114 Cb 1.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2i85 h SER 114 CO 0.04 0.00 -0.05 -1.13 -0.87 0.00 0.00 176.83 174.82 2i85 h ASN 115 N 0.00 0.00 -6.16 4.97 -0.73 -1.91 -3.48 115.58 108.28 2i85 h ASN 115 Ca 0.01 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.75 2i85 h ASN 115 Cb 0.04 0.00 0.04 0.00 0.27 0.00 0.00 38.32 38.67 2i85 h ASN 115 CO -0.00 0.05 -0.86 0.61 -0.37 0.00 0.00 177.43 176.86 2i85 n GLY 116 N -1.07 -0.41 3.44 1.57 0.00 -0.68 -4.91 105.19 103.11 2i85 n GLY 116 Ca -0.03 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 -1.43 -0.32 1.61 7.64 -1.26 -4.60 113.62 112.26 2i85 n SER 117 Ca -0.26 0.72 0.03 0.00 1.01 0.00 0.00 58.87 60.36 2i85 n SER 117 Cb 0.67 -1.13 0.21 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.18 0.96 -1.66 -3.43 7.12 -1.95 0.47 115.31 117.00 2i85 h LEU 118 Ca -0.45 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2i85 h LEU 118 Cb 1.40 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2i85 h LEU 118 CO 0.46 0.63 0.00 -0.33 -0.13 0.00 0.00 178.44 179.07 2i85 h GLU 119 N 1.10 0.00 -0.05 1.25 5.08 -1.94 -2.58 114.58 117.43 2i85 h GLU 119 Ca 0.39 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.65 2i85 h GLU 119 Cb 0.14 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.22 2i85 h GLU 119 CO -0.14 0.00 -0.74 0.41 -1.00 0.00 0.00 179.01 177.54 2i85 n GLY 120 N -1.06 3.56 0.34 -3.84 0.00 0.07 -4.75 105.19 99.51 2i85 n GLY 120 Ca -0.01 -1.20 0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 1.11 0.00 0.00 0.99 -0.00 -0.89 -0.32 115.31 116.20 2i85 h LEU 121 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2i85 h LEU 121 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 2i85 h LEU 121 CO 0.08 0.00 0.03 0.47 -0.00 0.00 0.00 178.44 179.02 2i85 n ASP 122 N -3.24 0.00 -1.10 0.17 8.00 -1.26 -4.99 116.55 114.13 2i85 n ASP 122 Ca -0.01 0.35 0.14 0.00 0.71 0.00 0.00 54.79 55.98 2i85 n ASP 122 Cb 0.31 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 2i85 n ASP 122 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2i85 n ASN 123 N -1.34 -6.61 -1.58 -2.24 3.02 -0.13 -4.91 115.26 101.47 2i85 n ASN 123 Ca 0.00 0.78 -0.17 0.00 -0.03 0.00 0.00 54.58 55.16 2i85 n ASN 123 Cb 0.03 -3.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i85 n GLN 124 N -3.87 -1.43 -3.77 3.52 3.00 -1.26 -4.94 117.38 108.63 2i85 n GLN 124 Ca -0.03 0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 57.81 2i85 n GLN 124 Cb 0.51 -5.30 -0.07 0.00 0.00 0.00 0.00 30.24 25.38 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2i85 s GLU 125 N -3.58 0.84 0.00 -1.09 2.02 -1.26 -0.53 118.70 115.10 2i85 s GLU 125 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2i85 s GLU 125 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2i85 s GLU 125 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2i85 n GLY 126 N 0.33 0.12 7.00 -1.39 0.00 0.32 -4.27 105.19 107.30 2i85 n GLY 126 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.72 0.28 -0.02 0.00 -1.26 -2.12 105.19 102.79 2i85 n GLY 127 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 1.11 -1.11 1.61 -1.51 -1.78 -2.89 116.25 111.67 2i85 h VAL 128 Ca 0.00 -0.34 0.33 0.00 -1.23 0.00 0.00 66.70 65.46 2i85 h VAL 128 Cb 0.00 0.81 -0.12 0.00 -2.13 0.00 0.00 31.29 29.85 2i85 h VAL 128 CO 0.00 0.13 0.70 0.00 -1.23 0.00 0.00 177.57 177.16 2i85 h GLN 130 N 0.30 0.00 0.00 0.00 4.15 -1.20 -3.16 115.11 115.19 2i85 h GLN 130 Ca 0.70 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.12 2i85 h GLN 130 Cb 1.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.54 2i85 h GLN 130 CO -0.41 0.00 0.00 -2.37 -1.93 0.00 0.00 178.83 174.12 2i85 n THR 131 N -4.10 0.00 0.29 2.39 5.66 -0.74 -4.87 114.28 112.91 2i85 n THR 131 Ca 0.12 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.27 2i85 n THR 131 Cb 0.76 -0.15 0.87 0.00 -1.55 0.00 0.00 70.33 70.25 2i85 n THR 131 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2i85 h ARG 132 N 0.00 0.00 -5.57 1.09 2.47 -1.23 -3.47 114.38 107.67 2i85 h ARG 132 Ca 0.00 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.30 2i85 h ARG 132 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.35 2i85 h ARG 132 CO 0.00 0.04 -0.67 0.00 0.56 0.00 0.00 179.97 179.90 2i85 n ALA 133 N -2.30 -1.17 -2.15 0.04 0.00 -0.72 -4.69 120.51 109.52 2i85 n ALA 133 Ca -0.03 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 2i85 n ALA 133 Cb 0.13 -4.37 -0.05 0.00 0.00 0.00 0.00 19.45 15.16 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 -6.21 2.76 0.40 0.00 0.00 -1.26 -1.25 119.30 113.74 2i85 s MET 134 Ca 0.51 -0.42 0.03 0.00 0.00 0.00 0.00 55.69 55.82 2i85 s MET 134 Cb -0.24 -5.09 -0.04 0.00 0.00 0.00 0.00 34.83 29.46 2i85 s MET 134 CO 0.63 -3.12 0.08 0.15 0.00 0.00 0.00 175.02 172.77 2i85 s LYS 135 N 6.60 1.88 0.03 4.11 3.01 -1.11 -1.65 119.74 132.61 2i85 s LYS 135 Ca 0.65 -2.12 0.05 0.00 -1.01 0.00 0.00 55.97 53.53 2i85 s LYS 135 Cb -0.06 -0.86 -0.02 0.00 -1.01 0.00 0.00 37.83 35.88 2i85 s LYS 135 CO -0.02 -0.35 -0.14 0.96 0.51 0.00 0.00 175.35 176.31 2i85 s ILE 136 N -3.17 1.10 -0.15 2.17 -5.25 -0.37 -2.76 121.20 112.77 2i85 s ILE 136 Ca 0.26 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 58.96 2i85 s ILE 136 Cb 0.05 -0.99 0.03 0.00 2.95 0.00 0.00 42.46 44.49 2i85 s ILE 136 CO 0.13 0.02 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.98 2i85 s LEU 137 N -1.07 1.60 -0.26 0.37 2.96 -1.23 -2.44 118.68 118.61 2i85 s LEU 137 Ca 0.02 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 2i85 s LEU 137 Cb -0.08 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2i85 s LEU 137 CO 0.01 -0.10 0.40 -0.04 -1.32 0.00 0.00 176.35 175.30 2i85 s MET 138 N 1.56 4.04 0.51 1.98 -1.94 -0.14 -0.71 119.30 124.60 2i85 s MET 138 Ca 0.04 0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.91 2i85 s MET 138 Cb -0.13 -3.65 -0.08 0.00 2.01 0.00 0.00 34.83 32.98 2i85 s MET 138 CO -0.09 -0.27 0.87 1.17 -0.01 0.00 0.00 175.02 176.69 2i85 n LYS 139 N 5.29 0.98 0.09 2.03 3.00 -0.36 -3.50 118.16 125.70 2i85 n LYS 139 Ca -0.08 0.37 0.17 0.00 -0.00 0.00 0.00 58.31 58.76 2i85 n LYS 139 Cb 0.51 -1.99 0.69 0.00 0.00 0.00 0.00 35.03 34.23 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 0.87 0.78 0.00 3.15 2.07 -1.93 -3.40 116.25 117.78 2i85 h VAL 140 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2i85 h VAL 140 Cb 1.36 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2i85 h VAL 140 CO 0.52 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.72 2i85 n GLY 141 N -1.59 3.72 0.00 2.17 0.00 -1.26 -1.67 105.19 106.56 2i85 n GLY 141 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2i85 n GLY 141 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14