#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 0.97 0.00 4.33 2.20 -1.26 -5.12 119.74 120.86 2i85 s LYS 2 Ca 0.00 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2i85 s LYS 2 Cb 0.00 -0.96 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 2i85 s LYS 2 CO 0.00 0.24 0.41 -1.13 -0.36 0.00 0.00 175.35 174.52 2i85 n SER 3 N 2.11 0.00 0.00 1.43 3.41 -1.26 -4.98 113.62 114.33 2i85 n SER 3 Ca -0.17 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2i85 n SER 3 Cb 0.55 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.88 0.00 -2.83 -1.33 -0.00 -1.26 -5.11 119.36 107.95 2i85 n ILE 4 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 2i85 n ILE 4 Cb 0.00 -0.22 0.02 0.00 -0.00 0.00 0.00 39.64 39.44 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 -2.22 -2.59 -1.54 7.28 0.31 -1.26 -4.82 118.33 113.49 2i85 n VAL 5 Ca 0.00 0.13 -0.48 0.00 -0.01 0.00 0.00 64.34 63.98 2i85 n VAL 5 Cb 0.00 -2.58 -0.03 0.00 -0.91 0.00 0.00 33.84 30.32 2i85 n VAL 5 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2i85 n LEU 6 N 0.16 0.89 -4.74 7.52 0.00 -0.67 -4.91 117.00 115.25 2i85 n LEU 6 Ca -0.05 1.15 -0.36 0.00 0.00 0.00 0.00 56.01 56.75 2i85 n LEU 6 Cb 0.49 -1.16 0.06 0.00 0.00 0.00 0.00 43.42 42.81 2i85 n LEU 6 CO 0.33 -1.75 0.86 -1.61 0.00 0.00 0.00 177.39 175.21 2i85 s GLU 7 N -0.89 2.60 0.29 1.96 8.01 -1.26 -4.61 118.70 124.80 2i85 s GLU 7 Ca 0.67 1.92 -0.29 0.00 0.01 0.00 0.00 54.97 57.28 2i85 s GLU 7 Cb -0.85 -1.87 -0.10 0.00 -4.31 0.00 0.00 34.13 27.01 2i85 s GLU 7 CO 0.56 -1.52 1.25 -1.25 0.01 0.00 0.00 175.26 174.31 2i85 s PRO 8 N -3.48 4.45 -0.25 0.39 0.04 -1.26 -4.64 135.00 130.24 2i85 s PRO 8 Ca 0.79 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.91 2i85 s PRO 8 Cb -0.33 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.13 2i85 s PRO 8 CO 0.39 -0.09 -0.10 0.96 0.04 0.00 0.00 177.00 178.20 2i85 s ILE 9 N -0.87 2.33 -0.90 0.56 -0.00 -1.08 -5.05 121.20 116.18 2i85 s ILE 9 Ca 0.49 -1.44 0.00 0.00 -0.00 0.00 0.00 60.65 59.70 2i85 s ILE 9 Cb -0.37 -2.30 0.31 0.00 -0.00 0.00 0.00 42.46 40.11 2i85 s ILE 9 CO 0.46 0.06 1.43 -1.22 -0.00 0.00 0.00 174.94 175.68 2i85 n TYR 10 N 4.51 3.00 0.00 1.37 4.01 -1.26 -1.18 117.16 127.60 2i85 n TYR 10 Ca -0.15 -3.05 0.00 0.00 -0.16 0.00 0.00 57.90 54.54 2i85 n TYR 10 Cb 0.44 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 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 0.37 0.00 -1.51 -0.72 2.14 -0.06 -4.91 117.44 112.75 2i85 n TRP 11 Ca 0.36 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.58 2i85 n TRP 11 Cb 0.32 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.68 2i85 n TRP 11 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 2i85 n ASN 12 N 0.65 0.41 0.27 -0.67 4.13 -1.26 -4.80 115.26 113.99 2i85 n ASN 12 Ca 0.00 -0.16 0.12 0.00 1.68 0.00 0.00 54.58 56.23 2i85 n ASN 12 Cb 0.00 -1.00 0.77 0.00 -1.54 0.00 0.00 39.78 38.00 2i85 n ASN 12 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2i85 h SER 13 N 13.19 0.00 0.00 6.41 0.87 -1.99 -3.27 113.55 128.76 2i85 h SER 13 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2i85 h SER 13 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2i85 h SER 13 CO 1.37 0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 176.20 2i85 n SER 14 N -3.88 0.00 -4.63 6.23 3.41 -1.26 -4.66 113.62 108.83 2i85 n SER 14 Ca -0.02 -0.67 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 2i85 n SER 14 Cb 0.16 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.30 2i85 n SER 14 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2i85 s ASN 15 N 1.55 2.45 0.25 4.04 3.84 -1.24 -4.93 114.94 120.90 2i85 s ASN 15 Ca 0.00 1.77 -0.04 0.00 0.21 0.00 0.00 52.86 54.79 2i85 s ASN 15 Cb 0.00 -2.38 0.36 0.00 -0.55 0.00 0.00 41.25 38.68 2i85 s ASN 15 CO 0.00 -3.32 1.86 -1.28 -2.79 0.00 0.00 177.10 171.57 2i85 h SER 16 N -2.02 0.91 0.61 -4.21 0.87 -1.96 -2.74 113.55 105.01 2i85 h SER 16 Ca -0.51 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2i85 h SER 16 Cb 1.29 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2i85 h SER 16 CO 0.48 0.58 -0.15 0.29 -0.53 0.00 0.00 176.83 177.51 2i85 n LYS 17 N -4.58 0.30 -2.08 2.24 4.01 -1.26 -4.75 118.16 112.04 2i85 n LYS 17 Ca 0.13 -0.09 -0.34 0.00 -0.51 0.00 0.00 58.31 57.50 2i85 n LYS 17 Cb 0.18 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.16 2i85 n LYS 17 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2i85 s PHE 18 N -2.76 1.77 -0.21 2.13 5.36 -1.03 -2.30 117.98 120.95 2i85 s PHE 18 Ca 0.20 0.64 -0.15 0.00 -0.96 0.00 0.00 56.93 56.66 2i85 s PHE 18 Cb 0.19 -4.11 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 2i85 s PHE 18 CO 0.54 -2.07 0.36 -1.17 -1.46 0.00 0.00 175.22 171.42 2i85 s LEU 19 N 9.19 4.15 -0.40 6.12 0.20 -0.42 -4.81 118.68 132.71 2i85 s LEU 19 Ca 0.66 0.46 -0.28 0.00 0.69 0.00 0.00 54.13 55.66 2i85 s LEU 19 Cb -0.10 -2.45 -0.02 0.00 -0.43 0.00 0.00 46.19 43.19 2i85 s LEU 19 CO 0.11 -0.05 1.87 -2.16 -0.29 0.00 0.00 176.35 175.83 2i85 s PRO 20 N 1.25 3.08 0.00 0.98 0.04 -1.26 -3.32 135.00 135.77 2i85 s PRO 20 Ca 0.17 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2i85 s PRO 20 Cb -0.14 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2i85 s PRO 20 CO 0.07 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.36 2i85 n GLY 21 N 5.54 0.79 0.08 0.56 0.00 -1.26 -4.96 105.19 105.94 2i85 n GLY 21 Ca 0.24 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.94 0.00 1.61 6.02 -1.25 -4.85 117.38 119.85 2i85 n GLN 22 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2i85 n GLN 22 Cb 0.00 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 2.47 0.79 3.14 1.08 0.00 -1.17 -1.30 105.19 110.20 2i85 n GLY 23 Ca -0.28 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 2.05 -0.19 0.99 2.96 -0.72 -1.30 118.68 122.46 2i85 s LEU 24 Ca 0.00 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2i85 s LEU 24 Cb 0.00 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2i85 s LEU 24 CO 0.00 0.18 0.05 -0.69 -1.32 0.00 0.00 176.35 174.57 2i85 s VAL 25 N -0.42 4.62 0.36 1.68 1.01 -0.97 -2.98 120.40 123.70 2i85 s VAL 25 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2i85 s VAL 25 Cb -0.06 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2i85 s VAL 25 CO -0.00 0.45 0.21 -0.76 0.00 0.00 0.00 175.10 174.99 2i85 s LEU 26 N 0.54 3.31 -0.29 3.92 2.01 -0.87 -4.85 118.68 122.44 2i85 s LEU 26 Ca 0.02 -0.78 -0.03 0.00 0.01 0.00 0.00 54.13 53.36 2i85 s LEU 26 Cb -0.13 -1.81 0.10 0.00 0.01 0.00 0.00 46.19 44.36 2i85 s LEU 26 CO 0.01 -0.40 0.11 -0.47 1.01 0.00 0.00 176.35 176.61 2i85 s TYR 27 N -2.44 0.94 -1.38 0.29 5.04 -1.26 -4.24 117.35 114.28 2i85 s TYR 27 Ca 0.40 -1.24 -0.15 0.00 -2.44 0.00 0.00 57.07 53.64 2i85 s TYR 27 Cb -0.02 -1.25 0.07 0.00 0.35 0.00 0.00 41.96 41.10 2i85 s TYR 27 CO 0.24 -0.84 2.01 -0.35 -1.34 0.00 0.00 175.55 175.27 2i85 n PRO 28 N 5.07 3.06 -4.40 4.97 -0.04 -1.26 -4.93 135.00 137.47 2i85 n PRO 28 Ca -0.04 -2.95 -0.27 0.00 -0.04 0.00 0.00 63.50 60.19 2i85 n PRO 28 Cb 0.42 -3.30 -0.11 0.00 -0.04 0.00 0.00 33.50 30.47 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 3.13 1.60 -0.29 0.54 -0.21 -1.26 -4.91 119.66 118.25 2i85 s GLN 29 Ca 0.48 -1.46 -0.22 0.00 0.02 0.00 0.00 55.36 54.18 2i85 s GLN 29 Cb 0.10 -1.91 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 2i85 s GLN 29 CO -0.03 0.41 0.72 0.42 -2.12 0.00 0.00 175.29 174.70 2i85 s ILE 30 N -1.61 4.87 0.00 1.08 -1.09 -1.26 -3.63 121.20 119.55 2i85 s ILE 30 Ca 0.21 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 2i85 s ILE 30 Cb -0.08 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2i85 s ILE 30 CO 0.10 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 2i85 n GLY 31 N 4.22 0.92 3.21 6.18 0.00 -1.26 -5.11 105.19 113.34 2i85 n GLY 31 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.61 1.80 0.02 1.61 -4.77 -1.24 -4.48 116.67 108.99 2i85 s ASP 32 Ca 0.00 -0.76 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 2i85 s ASP 32 Cb 0.00 -0.05 -0.02 0.00 -1.09 0.00 0.00 42.92 41.77 2i85 s ASP 32 CO 0.00 -0.15 -0.03 -1.59 0.70 0.00 0.00 175.17 174.10 2i85 s LYS 33 N -2.48 0.29 -0.04 2.11 -2.85 -1.26 -2.78 119.74 112.73 2i85 s LYS 33 Ca 0.05 -0.56 -0.04 0.00 -1.00 0.00 0.00 55.97 54.42 2i85 s LYS 33 Cb -0.06 0.09 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 2i85 s LYS 33 CO 0.02 -0.04 0.12 -0.48 0.10 0.00 0.00 175.35 175.07 2i85 s LEU 34 N -1.34 1.56 -0.17 2.77 -0.00 -0.72 -1.68 118.68 119.10 2i85 s LEU 34 Ca -0.14 0.23 -0.01 0.00 -0.00 0.00 0.00 54.13 54.20 2i85 s LEU 34 Cb -0.09 0.40 0.05 0.00 -0.00 0.00 0.00 46.19 46.55 2i85 s LEU 34 CO -0.01 -0.05 -0.01 1.51 -0.00 0.00 0.00 176.35 177.79 2i85 s ASP 35 N 0.03 2.85 -0.30 1.48 -4.77 -1.26 -1.03 116.67 113.67 2i85 s ASP 35 Ca -0.00 -0.72 -0.13 0.00 -3.30 0.00 0.00 52.55 48.40 2i85 s ASP 35 Cb -0.01 -0.77 -0.03 0.00 -1.09 0.00 0.00 42.92 41.01 2i85 s ASP 35 CO 0.00 -0.24 0.26 -0.63 0.70 0.00 0.00 175.17 175.26 2i85 s ILE 36 N 1.73 5.26 -0.00 2.11 1.01 -0.09 -2.65 121.20 128.57 2i85 s ILE 36 Ca -0.00 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.84 2i85 s ILE 36 Cb -0.16 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2i85 s ILE 36 CO -0.07 0.12 -0.26 -0.63 0.00 0.00 0.00 174.94 174.10 2i85 s ILE 37 N 1.83 2.12 -0.08 2.92 1.09 -0.32 -0.79 121.20 127.98 2i85 s ILE 37 Ca 0.09 -1.16 -0.03 0.00 -1.10 0.00 0.00 60.65 58.44 2i85 s ILE 37 Cb -0.16 -1.76 0.04 0.00 -1.06 0.00 0.00 42.46 39.52 2i85 s ILE 37 CO 0.11 0.53 0.16 0.00 -0.10 0.00 0.00 174.94 175.63 2i85 n PRO 39 N 4.85 -1.83 -3.78 0.00 -0.04 -1.26 -1.38 135.00 131.55 2i85 n PRO 39 Ca -0.14 -0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 62.14 2i85 n PRO 39 Cb 0.51 -0.73 -0.13 0.00 -0.04 0.00 0.00 33.50 33.11 2i85 n PRO 39 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2i85 s LYS 40 N -4.15 2.74 -0.48 0.54 2.36 -1.26 -4.20 119.74 115.28 2i85 s LYS 40 Ca 0.33 -1.09 -0.42 0.00 -2.55 0.00 0.00 55.97 52.24 2i85 s LYS 40 Cb -0.03 -3.39 -0.17 0.00 -1.05 0.00 0.00 37.83 33.19 2i85 s LYS 40 CO 0.25 -0.59 2.17 1.55 1.55 0.00 0.00 175.35 180.27 2i85 n VAL 41 N 4.80 0.04 0.00 4.02 3.14 -1.26 -3.90 118.33 125.17 2i85 n VAL 41 Ca -0.13 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2i85 n VAL 41 Cb 0.45 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 2i85 n VAL 41 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2i85 n ASP 42 N 8.09 0.00 0.08 6.55 8.00 -1.26 -4.96 116.55 133.05 2i85 n ASP 42 Ca 0.52 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.80 2i85 n ASP 42 Cb 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 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 0.62 1.16 -2.24 0.87 -2.04 -3.37 113.55 108.56 2i85 h SER 43 Ca 0.00 -0.90 -0.16 0.00 -1.23 0.00 0.00 61.79 59.50 2i85 h SER 43 Cb 0.00 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2i85 h SER 43 CO 0.00 1.76 -0.78 0.11 -0.53 0.00 0.00 176.83 177.39 2i85 h LYS 44 N 0.11 0.00 -5.45 2.24 1.79 -1.94 -3.48 116.57 109.84 2i85 h LYS 44 Ca -0.33 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 57.73 2i85 h LYS 44 Cb 2.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.72 2i85 h LYS 44 CO 0.19 0.78 -0.62 2.41 -1.08 0.00 0.00 179.45 181.12 2i85 n THR 45 N -3.33 -1.50 1.28 -0.16 -1.04 -1.26 -4.88 114.28 103.38 2i85 n THR 45 Ca 0.01 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.16 2i85 n THR 45 Cb 0.83 -2.48 0.68 0.00 -1.82 0.00 0.00 70.33 67.54 2i85 n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2i85 n VAL 46 N -4.28 0.00 0.00 12.58 3.14 -1.26 -4.66 118.33 123.86 2i85 n VAL 46 Ca -0.02 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2i85 n VAL 46 Cb 0.56 -0.43 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 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 1.36 -1.91 2.66 7.55 0.00 -1.26 -5.06 105.19 108.54 2i85 n GLY 47 Ca 0.12 0.87 -0.02 0.00 0.00 0.00 0.00 46.02 46.99 2i85 n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i85 n GLN 48 N 0.00 0.23 -0.05 1.61 6.02 -1.26 -4.23 117.38 119.70 2i85 n GLN 48 Ca 0.00 -0.32 -0.05 0.00 -0.01 0.00 0.00 57.00 56.62 2i85 n GLN 48 Cb 0.00 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 29.48 2i85 n GLN 48 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2i85 n TYR 49 N 3.76 0.11 0.00 1.08 9.36 -1.26 -5.09 117.16 125.12 2i85 n TYR 49 Ca 0.05 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.32 2i85 n TYR 49 Cb 0.05 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 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 -3.62 0.00 -3.95 2.98 2.13 -1.26 -5.00 120.64 111.92 2i85 n GLU 50 Ca -0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.65 2i85 n GLU 50 Cb 0.27 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.91 2i85 n GLU 50 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2i85 s TYR 51 N -0.94 0.38 -0.07 4.31 2.02 -1.26 -4.79 117.35 117.00 2i85 s TYR 51 Ca 0.00 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2i85 s TYR 51 Cb 0.00 -0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.50 2i85 s TYR 51 CO 0.00 -0.67 0.00 0.71 -1.57 0.00 0.00 175.55 174.02 2i85 s TYR 52 N -3.95 0.62 0.05 2.71 2.02 -0.88 -4.99 117.35 112.92 2i85 s TYR 52 Ca 0.15 -0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 2i85 s TYR 52 Cb 0.04 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.82 2i85 s TYR 52 CO -0.02 -0.30 -0.13 0.15 -1.57 0.00 0.00 175.55 173.67 2i85 s LYS 53 N 1.87 0.85 -0.03 -0.62 3.01 -1.26 -1.88 119.74 121.68 2i85 s LYS 53 Ca 0.03 -0.78 0.07 0.00 -1.01 0.00 0.00 55.97 54.28 2i85 s LYS 53 Cb -0.12 -0.84 -0.02 0.00 -1.01 0.00 0.00 37.83 35.84 2i85 s LYS 53 CO -0.05 0.20 -0.24 0.08 0.51 0.00 0.00 175.35 175.85 2i85 s VAL 54 N -0.97 1.93 0.08 3.17 1.01 -0.96 -4.61 120.40 120.05 2i85 s VAL 54 Ca -0.00 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.02 2i85 s VAL 54 Cb -0.08 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2i85 s VAL 54 CO 0.01 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.15 2i85 s TYR 55 N -0.42 1.74 -0.23 5.22 2.02 -0.88 -2.43 117.35 122.37 2i85 s TYR 55 Ca 0.05 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 2i85 s TYR 55 Cb -0.11 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 2i85 s TYR 55 CO 0.01 0.16 0.10 -1.64 -1.57 0.00 0.00 175.55 172.61 2i85 s MET 56 N -1.65 3.89 -0.21 -0.62 -1.94 -1.24 -0.76 119.30 116.78 2i85 s MET 56 Ca 0.06 -0.37 -0.29 0.00 -1.71 0.00 0.00 55.69 53.38 2i85 s MET 56 Cb -0.10 -3.38 0.14 0.00 2.01 0.00 0.00 34.83 33.50 2i85 s MET 56 CO 0.03 0.02 1.10 0.14 -0.01 0.00 0.00 175.02 176.30 2i85 s VAL 57 N 1.11 0.00 0.80 -6.03 -7.23 -0.68 -4.26 120.40 104.11 2i85 s VAL 57 Ca 0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.09 2i85 s VAL 57 Cb -0.14 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 35.88 2i85 s VAL 57 CO 0.04 0.00 1.20 -1.81 -0.31 0.00 0.00 175.10 174.22 2i85 s ASP 58 N -0.89 3.66 0.49 4.85 1.11 -1.26 -3.69 116.67 120.95 2i85 s ASP 58 Ca 0.01 2.33 0.23 0.00 0.18 0.00 0.00 52.55 55.30 2i85 s ASP 58 Cb -0.01 -2.58 1.29 0.00 1.07 0.00 0.00 42.92 42.68 2i85 s ASP 58 CO -0.02 -2.62 1.96 0.50 1.18 0.00 0.00 175.17 176.17 2i85 h LYS 59 N -0.91 0.14 0.00 8.23 1.63 -1.94 -0.51 116.57 123.22 2i85 h LYS 59 Ca -0.46 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.31 2i85 h LYS 59 Cb 1.29 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2i85 h LYS 59 CO 0.46 0.09 -0.11 0.22 -3.45 0.00 0.00 179.45 176.67 2i85 h ASP 60 N 0.14 0.00 -0.03 4.20 3.58 -1.99 -0.77 116.42 121.55 2i85 h ASP 60 Ca 0.31 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.52 2i85 h ASP 60 Cb 1.04 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.10 2i85 h ASP 60 CO -0.04 0.11 -0.93 1.56 -2.88 0.00 0.00 179.24 177.06 2i85 h GLN 61 N 0.00 0.72 -0.11 0.28 1.08 -1.34 -3.28 115.11 112.46 2i85 h GLN 61 Ca -0.00 -0.69 -0.05 0.00 -1.45 0.00 0.00 58.65 56.46 2i85 h GLN 61 Cb 0.22 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2i85 h GLN 61 CO 0.01 1.28 -0.17 0.00 -0.95 0.00 0.00 178.83 179.00 2i85 h ALA 62 N 0.50 1.51 -0.29 3.87 0.00 -1.10 -0.77 119.26 122.98 2i85 h ALA 62 Ca -0.09 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2i85 h ALA 62 Cb 1.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2i85 h ALA 62 CO 0.18 0.35 0.20 0.22 0.00 0.00 0.00 179.25 180.21 2i85 h ASP 63 N 0.17 0.12 -0.02 0.00 3.58 -1.23 -1.01 116.42 118.03 2i85 h ASP 63 Ca 0.03 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2i85 h ASP 63 Cb 0.41 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2i85 h ASP 63 CO 0.03 0.08 -0.39 0.54 -2.88 0.00 0.00 179.24 176.61 2i85 n ARG 64 N -4.48 1.42 -3.97 0.28 5.12 -1.12 -4.99 116.66 108.92 2i85 n ARG 64 Ca 0.03 -1.08 -0.26 0.00 -1.93 0.00 0.00 57.85 54.61 2i85 n ARG 64 Cb 0.27 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.96 1.36 0.06 0.00 -4.23 -0.33 -0.53 115.64 108.01 2i85 s THR 66 Ca 0.03 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2i85 s THR 66 Cb -0.01 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 2i85 s THR 66 CO 0.90 0.39 0.14 -0.63 -0.54 0.00 0.00 174.62 174.88 2i85 s ILE 67 N -0.25 4.97 0.18 2.99 -1.09 0.53 -4.24 121.20 124.29 2i85 s ILE 67 Ca 0.03 -0.56 -0.14 0.00 -2.23 0.00 0.00 60.65 57.75 2i85 s ILE 67 Cb -0.08 -3.40 -0.07 0.00 -1.58 0.00 0.00 42.46 37.32 2i85 s ILE 67 CO 0.00 0.15 0.58 -0.75 -1.23 0.00 0.00 174.94 173.69 2i85 s LYS 68 N -2.41 3.99 0.64 2.79 2.47 -1.26 -4.82 119.74 121.14 2i85 s LYS 68 Ca 0.32 0.52 0.40 0.00 -1.56 0.00 0.00 55.97 55.65 2i85 s LYS 68 Cb -0.13 -2.84 2.22 0.00 -1.46 0.00 0.00 37.83 35.62 2i85 s LYS 68 CO 0.24 0.42 2.32 1.57 0.16 0.00 0.00 175.35 180.06 2i85 h LYS 69 N 3.28 0.00 0.00 4.03 2.10 -1.98 -1.17 116.57 122.83 2i85 h LYS 69 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2i85 h LYS 69 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2i85 h LYS 69 CO 0.66 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.51 2i85 n GLU 70 N -3.27 0.74 -0.32 0.07 1.02 -1.26 -4.83 120.64 112.80 2i85 n GLU 70 Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 2i85 n GLU 70 Cb 0.09 -1.35 0.27 0.00 -0.02 0.00 0.00 31.44 30.44 2i85 n GLU 70 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2i85 n ASN 71 N -0.85 -3.55 -4.07 1.62 0.23 -0.44 -5.02 115.26 103.17 2i85 n ASN 71 Ca 0.12 -0.67 -0.15 0.00 -0.53 0.00 0.00 54.58 53.36 2i85 n ASN 71 Cb 0.06 -1.03 -0.12 0.00 -2.08 0.00 0.00 39.78 36.60 2i85 n ASN 71 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2i85 s THR 72 N -2.17 0.67 -1.09 5.53 -1.32 -1.26 -4.94 115.64 111.06 2i85 s THR 72 Ca 0.64 -0.98 -0.19 0.00 -1.21 0.00 0.00 61.69 59.95 2i85 s THR 72 Cb -0.14 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.10 2i85 s THR 72 CO 0.57 -0.24 1.99 -0.81 -2.21 0.00 0.00 174.62 173.92 2i85 n PRO 73 N 1.71 2.10 0.11 7.08 -0.04 -1.26 -3.60 135.00 141.09 2i85 n PRO 73 Ca -0.21 -2.33 -0.14 0.00 -0.04 0.00 0.00 63.50 60.79 2i85 n PRO 73 Cb 0.55 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.72 2i85 n PRO 73 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2i85 h LEU 74 N 13.21 -1.12 -8.87 1.53 5.85 -1.86 -3.41 115.31 120.64 2i85 h LEU 74 Ca 0.44 0.13 -0.64 0.00 0.84 0.00 0.00 57.88 58.64 2i85 h LEU 74 Cb 0.73 0.42 -0.21 0.00 0.37 0.00 0.00 40.66 41.97 2i85 h LEU 74 CO 1.77 -0.46 -0.67 -0.22 -0.34 0.00 0.00 178.44 178.52 2i85 s LEU 75 N -10.29 3.23 -0.37 2.25 1.98 -1.14 -4.99 118.68 109.34 2i85 s LEU 75 Ca -0.16 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 2i85 s LEU 75 Cb 0.08 -1.77 0.12 0.00 0.66 0.00 0.00 46.19 45.28 2i85 s LEU 75 CO 0.64 0.19 0.19 0.21 -1.89 0.00 0.00 176.35 175.69 2i85 s ASN 76 N 0.22 3.58 0.30 3.68 2.47 -1.26 -2.26 114.94 121.67 2i85 s ASN 76 Ca -0.03 -2.18 0.06 0.00 0.42 0.00 0.00 52.86 51.14 2i85 s ASN 76 Cb -0.14 -0.79 -0.06 0.00 -1.45 0.00 0.00 41.25 38.81 2i85 s ASN 76 CO 0.03 -0.33 -0.04 0.00 -3.72 0.00 0.00 177.10 173.04 2i85 n ALA 78 N -0.64 -3.00 0.00 0.00 0.00 -1.26 -2.08 120.51 113.53 2i85 n ALA 78 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 53.44 55.17 2i85 n ALA 78 Cb 0.64 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.46 2i85 n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i85 n LYS 79 N 1.88 0.00 -0.25 0.00 5.02 -1.26 -4.15 118.16 119.40 2i85 n LYS 79 Ca -0.30 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 55.95 2i85 n LYS 79 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.50 2i85 n LYS 79 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2i85 n PRO 80 N 0.00 -0.54 -1.22 1.97 -0.04 -1.26 -4.99 135.00 128.91 2i85 n PRO 80 Ca 0.00 -0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 2i85 n PRO 80 Cb 0.00 -0.22 0.17 0.00 -0.04 0.00 0.00 33.50 33.41 2i85 n PRO 80 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2i85 n ASP 81 N -3.18 4.09 -3.98 3.54 5.68 -1.26 -4.95 116.55 116.49 2i85 n ASP 81 Ca 0.02 -3.64 -0.10 0.00 -0.50 0.00 0.00 54.79 50.58 2i85 n ASP 81 Cb 0.09 -0.84 -0.07 0.00 -1.14 0.00 0.00 41.12 39.16 2i85 n ASP 81 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2i85 s GLN 82 N -3.35 1.26 0.47 0.11 -0.21 -1.26 -5.13 119.66 111.54 2i85 s GLN 82 Ca 0.57 -1.21 -0.25 0.00 0.02 0.00 0.00 55.36 54.49 2i85 s GLN 82 Cb 0.48 0.40 -0.08 0.00 1.00 0.00 0.00 33.01 34.81 2i85 s GLN 82 CO 0.09 -0.48 1.41 0.16 -2.12 0.00 0.00 175.29 174.35 2i85 s ASP 83 N -2.99 5.78 -0.10 5.90 -4.77 -1.26 -4.55 116.67 114.67 2i85 s ASP 83 Ca 0.20 2.88 -0.04 0.00 -3.30 0.00 0.00 52.55 52.29 2i85 s ASP 83 Cb 0.03 -2.65 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 2i85 s ASP 83 CO 0.03 -1.24 0.07 -0.63 0.70 0.00 0.00 175.17 174.10 2i85 s ILE 84 N -1.22 4.90 -0.13 2.11 1.09 -0.48 -5.02 121.20 122.44 2i85 s ILE 84 Ca 0.63 -0.03 -0.10 0.00 -1.10 0.00 0.00 60.65 60.05 2i85 s ILE 84 Cb -0.43 -3.10 0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2i85 s ILE 84 CO 0.54 0.61 0.33 -1.59 -0.10 0.00 0.00 174.94 174.74 2i85 s LYS 85 N -0.97 0.36 -0.21 2.79 -2.85 -1.26 -1.02 119.74 116.58 2i85 s LYS 85 Ca 0.14 0.54 -0.04 0.00 -1.00 0.00 0.00 55.97 55.62 2i85 s LYS 85 Cb -0.12 0.09 0.07 0.00 -2.06 0.00 0.00 37.83 35.81 2i85 s LYS 85 CO 0.03 -0.09 0.07 -0.06 0.10 0.00 0.00 175.35 175.41 2i85 s PHE 86 N 0.63 0.70 -0.22 1.78 0.40 0.03 -5.01 117.98 116.30 2i85 s PHE 86 Ca -0.04 -0.77 -0.12 0.00 -0.60 0.00 0.00 56.93 55.41 2i85 s PHE 86 Cb -0.05 -0.96 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 2i85 s PHE 86 CO -0.04 -0.64 0.23 -0.08 0.70 0.00 0.00 175.22 175.40 2i85 s THR 87 N 1.97 5.32 -0.21 0.64 -1.32 -1.26 -0.91 115.64 119.86 2i85 s THR 87 Ca 0.03 0.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.81 2i85 s THR 87 Cb -0.17 -3.57 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 2i85 s THR 87 CO -0.15 0.33 0.00 -0.63 -2.21 0.00 0.00 174.62 171.97 2i85 s ILE 88 N 1.03 3.93 0.11 5.08 1.01 -0.20 -5.00 121.20 127.16 2i85 s ILE 88 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 2i85 s ILE 88 Cb -0.14 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2i85 s ILE 88 CO 0.05 0.42 0.30 -1.59 0.00 0.00 0.00 174.94 174.12 2i85 s LYS 89 N 1.12 3.54 -0.74 2.79 0.00 -1.26 -1.75 119.74 123.44 2i85 s LYS 89 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 55.97 55.47 2i85 s LYS 89 Cb -0.14 -2.93 -0.15 0.00 0.00 0.00 0.00 37.83 34.60 2i85 s LYS 89 CO 0.01 0.53 2.55 1.97 0.00 0.00 0.00 175.35 180.41 2i85 n PHE 90 N 0.19 1.00 -3.65 1.78 -1.74 -1.12 -4.92 117.46 109.00 2i85 n PHE 90 Ca -0.04 0.26 -0.17 0.00 -0.56 0.00 0.00 57.45 56.95 2i85 n PHE 90 Cb 0.51 -2.50 -0.15 0.00 1.52 0.00 0.00 39.48 38.86 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 8.54 0.07 -0.10 3.97 2.00 -1.26 -4.83 119.66 128.04 2i85 s GLN 91 Ca 1.18 0.54 0.07 0.00 -2.00 0.00 0.00 55.36 55.15 2i85 s GLN 91 Cb -0.76 -0.36 -0.24 0.00 0.80 0.00 0.00 33.01 32.45 2i85 s GLN 91 CO 0.39 -0.35 0.43 -1.91 -0.50 0.00 0.00 175.29 173.35 2i85 n GLU 92 N 5.33 0.68 -4.26 1.67 2.13 -1.26 -3.69 120.64 121.23 2i85 n GLU 92 Ca -0.05 0.23 -0.20 0.00 0.66 0.00 0.00 57.16 57.80 2i85 n GLU 92 Cb 0.50 -1.71 -0.16 0.00 0.27 0.00 0.00 31.44 30.34 2i85 n GLU 92 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2i85 s PHE 93 N -2.57 0.85 -0.02 4.31 2.19 -1.26 -3.62 117.98 117.85 2i85 s PHE 93 Ca -0.13 -0.24 0.03 0.00 0.33 0.00 0.00 56.93 56.93 2i85 s PHE 93 Cb 0.07 -0.68 -0.00 0.00 -1.31 0.00 0.00 43.02 41.10 2i85 s PHE 93 CO 0.79 -0.17 -0.11 -1.12 1.83 0.00 0.00 175.22 176.44 2i85 s SER 94 N 0.66 1.42 0.07 6.13 0.01 -1.26 -4.98 113.70 115.76 2i85 s SER 94 Ca -0.10 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 2i85 s SER 94 Cb -0.13 -0.29 -0.15 0.00 0.21 0.00 0.00 66.02 65.67 2i85 s SER 94 CO 0.01 0.11 1.30 1.55 0.41 0.00 0.00 173.24 176.62 2i85 h PRO 95 N 6.13 0.65 -0.97 12.44 0.13 -2.05 -3.45 132.00 144.88 2i85 h PRO 95 Ca -0.33 -0.48 0.15 0.00 -0.87 0.00 0.00 66.00 64.47 2i85 h PRO 95 Cb 1.17 0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 2i85 h PRO 95 CO 0.49 1.10 -0.01 1.21 -0.23 0.00 0.00 178.00 180.56 2i85 s ASN 96 N -6.77 -0.89 0.20 1.44 3.84 -1.26 -5.19 114.94 106.31 2i85 s ASN 96 Ca -0.12 0.80 -0.09 0.00 0.21 0.00 0.00 52.86 53.67 2i85 s ASN 96 Cb 0.07 1.85 0.03 0.00 -0.55 0.00 0.00 41.25 42.65 2i85 s ASN 96 CO 0.85 -0.17 0.46 0.18 -2.79 0.00 0.00 177.10 175.63 2i85 n LEU 97 N 5.33 0.00 0.15 3.21 4.77 -1.26 -5.04 117.00 124.16 2i85 n LEU 97 Ca -0.06 -1.31 0.10 0.00 -0.03 0.00 0.00 56.01 54.71 2i85 n LEU 97 Cb 0.52 2.01 0.53 0.00 -2.33 0.00 0.00 43.42 44.15 2i85 n LEU 97 CO -0.04 -0.44 0.80 0.79 -1.33 0.00 0.00 177.39 177.18 2i85 n TRP 98 N -0.31 0.66 0.00 -1.77 7.02 -1.26 -4.80 117.44 116.97 2i85 n TRP 98 Ca -0.04 0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.78 2i85 n TRP 98 Cb 0.32 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.17 2i85 n TRP 98 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i85 n GLY 99 N -1.31 0.87 0.19 6.99 0.00 -1.26 -5.03 105.19 105.63 2i85 n GLY 99 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2i85 n GLY 99 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i85 h LEU 100 N 0.00 0.00 -9.44 0.99 3.38 -1.91 -3.46 115.31 104.88 2i85 h LEU 100 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2i85 h LEU 100 Cb 0.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.84 2i85 h LEU 100 CO 0.00 0.00 0.24 -0.62 0.09 0.00 0.00 178.44 178.15 2i85 n GLU 101 N -2.49 1.37 -4.17 1.13 4.71 -1.26 -4.73 120.64 115.20 2i85 n GLU 101 Ca 0.01 0.48 -0.12 0.00 -0.01 0.00 0.00 57.16 57.52 2i85 n GLU 101 Cb 0.19 -1.94 -0.10 0.00 -1.01 0.00 0.00 31.44 28.58 2i85 n GLU 101 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2i85 s PHE 102 N -0.61 0.96 -0.09 -0.32 5.36 -1.24 -5.02 117.98 117.03 2i85 s PHE 102 Ca 0.65 -0.80 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 2i85 s PHE 102 Cb -0.75 -0.54 0.01 0.00 -0.34 0.00 0.00 43.02 41.41 2i85 s PHE 102 CO 0.56 -0.08 -0.15 -0.65 -1.46 0.00 0.00 175.22 173.45 2i85 s GLN 103 N -3.39 2.07 1.16 10.12 1.11 -1.26 -4.75 119.66 124.73 2i85 s GLN 103 Ca 0.09 -0.52 -0.13 0.00 0.01 0.00 0.00 55.36 54.81 2i85 s GLN 103 Cb 0.02 -1.73 0.28 0.00 -1.01 0.00 0.00 33.01 30.57 2i85 s GLN 103 CO -0.02 -0.01 1.03 -1.59 0.01 0.00 0.00 175.29 174.71 2i85 s LYS 104 N 0.83 -0.88 -1.51 2.91 -2.85 -1.26 -3.97 119.74 113.01 2i85 s LYS 104 Ca -0.11 0.85 -0.13 0.00 -1.00 0.00 0.00 55.97 55.59 2i85 s LYS 104 Cb -0.15 -1.56 0.08 0.00 -2.06 0.00 0.00 37.83 34.14 2i85 s LYS 104 CO 0.01 -3.70 0.90 -1.71 0.10 0.00 0.00 175.35 170.95 2i85 n ASN 105 N -4.91 -4.79 -3.76 0.03 2.85 -1.20 -4.98 115.26 98.51 2i85 n ASN 105 Ca 0.03 -0.69 -0.15 0.00 -0.11 0.00 0.00 54.58 53.65 2i85 n ASN 105 Cb 0.54 -3.84 -0.16 0.00 1.24 0.00 0.00 39.78 37.56 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2i85 s LYS 106 N -6.49 -0.03 0.31 1.20 3.01 -0.97 -4.92 119.74 111.85 2i85 s LYS 106 Ca 0.61 0.23 -0.27 0.00 -1.01 0.00 0.00 55.97 55.54 2i85 s LYS 106 Cb -0.31 -0.27 -0.10 0.00 -1.01 0.00 0.00 37.83 36.15 2i85 s LYS 106 CO 0.75 -0.19 0.95 -0.51 0.51 0.00 0.00 175.35 176.86 2i85 s ASP 107 N 1.21 7.38 0.03 2.83 1.01 -1.26 -4.26 116.67 123.61 2i85 s ASP 107 Ca -0.08 1.86 0.08 0.00 0.71 0.00 0.00 52.55 55.12 2i85 s ASP 107 Cb -0.13 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2i85 s ASP 107 CO -0.03 -0.04 -0.23 -0.31 0.21 0.00 0.00 175.17 174.77 2i85 s TYR 108 N -1.55 2.02 -0.04 4.23 2.02 -0.82 -5.01 117.35 118.20 2i85 s TYR 108 Ca 0.49 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 2i85 s TYR 108 Cb -0.20 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2i85 s TYR 108 CO 0.25 0.08 0.09 0.71 -1.57 0.00 0.00 175.55 175.11 2i85 s TYR 109 N -0.74 -0.09 -0.00 2.71 2.02 -1.26 -1.01 117.35 118.97 2i85 s TYR 109 Ca 0.09 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 2i85 s TYR 109 Cb -0.09 -0.01 -0.00 0.00 -0.40 0.00 0.00 41.96 41.46 2i85 s TYR 109 CO 0.01 -0.07 -0.02 0.42 -1.57 0.00 0.00 175.55 174.33 2i85 s ILE 110 N 0.32 0.15 -0.06 2.71 1.01 -1.10 -1.69 121.20 122.53 2i85 s ILE 110 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 2i85 s ILE 110 Cb -0.03 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.32 2i85 s ILE 110 CO -0.01 0.04 0.24 -0.63 0.00 0.00 0.00 174.94 174.58 2i85 s ILE 111 N -0.05 0.02 0.10 2.92 1.01 0.06 -0.53 121.20 124.74 2i85 s ILE 111 Ca 0.01 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.53 2i85 s ILE 111 Cb -0.01 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2i85 s ILE 111 CO -0.00 -0.11 -0.19 -0.55 0.00 0.00 0.00 174.94 174.09 2i85 s SER 112 N -0.36 2.33 -0.35 3.58 0.15 -0.62 -2.07 113.70 116.36 2i85 s SER 112 Ca -0.05 -0.68 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2i85 s SER 112 Cb -0.03 -0.12 0.13 0.00 -1.71 0.00 0.00 66.02 64.29 2i85 s SER 112 CO 0.01 0.02 0.19 -0.89 1.20 0.00 0.00 173.24 173.77 2i85 s THR 113 N -1.24 0.27 0.63 6.45 2.01 -1.26 -3.01 115.64 119.49 2i85 s THR 113 Ca 0.05 -1.59 0.32 0.00 0.31 0.00 0.00 61.69 60.79 2i85 s THR 113 Cb -0.10 -1.21 0.36 0.00 0.01 0.00 0.00 72.50 71.56 2i85 s THR 113 CO 0.04 -0.91 2.09 0.28 -0.69 0.00 0.00 174.62 175.43 2i85 h SER 114 N 7.33 0.00 0.21 3.53 0.02 -1.92 0.57 113.55 123.30 2i85 h SER 114 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2i85 h SER 114 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2i85 h SER 114 CO 0.33 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.82 2i85 n ASN 115 N -3.38 0.00 -1.15 3.07 2.85 -1.26 -3.40 115.26 111.98 2i85 n ASN 115 Ca 0.00 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 2i85 n ASN 115 Cb 0.31 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.88 2i85 n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2i85 n GLY 116 N -0.77 1.37 3.25 8.20 0.00 0.19 -4.38 105.19 113.04 2i85 n GLY 116 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 0.91 -2.85 -0.32 1.61 7.64 -1.22 -4.51 113.62 114.88 2i85 n SER 117 Ca 0.00 -0.39 -0.01 0.00 1.01 0.00 0.00 58.87 59.48 2i85 n SER 117 Cb 0.31 -0.99 0.12 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.77 0.94 -2.10 -3.43 7.12 -1.95 0.78 115.31 113.91 2i85 h LEU 118 Ca -0.47 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.53 2i85 h LEU 118 Cb 1.22 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 2i85 h LEU 118 CO 0.33 0.64 -0.06 -0.33 -0.13 0.00 0.00 178.44 178.89 2i85 h GLU 119 N 1.10 0.00 -0.48 1.25 4.39 -1.93 -2.85 114.58 116.06 2i85 h GLU 119 Ca 0.36 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.71 2i85 h GLU 119 Cb 0.02 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.43 2i85 h GLU 119 CO -0.12 0.06 -0.51 0.41 -1.16 0.00 0.00 179.01 177.69 2i85 n GLY 120 N -1.17 5.78 0.34 -3.84 0.00 -0.47 -4.83 105.19 100.99 2i85 n GLY 120 Ca -0.03 -2.03 -0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 1.64 0.86 0.00 0.99 8.10 -0.65 -1.20 115.31 125.05 2i85 h LEU 121 Ca 0.25 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.19 2i85 h LEU 121 Cb 1.35 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.35 2i85 h LEU 121 CO 0.53 0.67 -0.55 0.44 -4.11 0.00 0.00 178.44 175.42 2i85 h ASP 122 N 0.99 0.00 -4.14 0.17 3.32 -1.87 -3.47 116.42 111.42 2i85 h ASP 122 Ca 0.26 -0.03 -0.52 0.00 0.02 0.00 0.00 57.03 56.76 2i85 h ASP 122 Cb -0.03 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.64 2i85 h ASP 122 CO -0.05 0.02 0.42 0.21 -1.72 0.00 0.00 179.24 178.12 2i85 s ASN 123 N -5.43 5.06 -0.05 6.45 2.47 -0.45 -4.97 114.94 118.01 2i85 s ASN 123 Ca 0.04 2.24 0.02 0.00 0.42 0.00 0.00 52.86 55.57 2i85 s ASN 123 Cb 0.09 -2.58 0.06 0.00 -1.45 0.00 0.00 41.25 37.37 2i85 s ASN 123 CO 0.73 -1.67 0.85 0.00 -3.72 0.00 0.00 177.10 173.28 2i85 n GLN 124 N -2.00 0.21 -3.64 0.43 10.64 -1.26 -4.61 117.38 117.15 2i85 n GLN 124 Ca 0.12 -0.77 -0.14 0.00 -1.83 0.00 0.00 57.00 54.38 2i85 n GLN 124 Cb 0.51 0.46 -0.13 0.00 -0.86 0.00 0.00 30.24 30.22 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2i85 s GLU 125 N 0.02 0.14 0.23 2.61 2.02 -1.26 -0.35 118.70 122.12 2i85 s GLU 125 Ca 0.01 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.67 2i85 s GLU 125 Cb 0.07 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.09 2i85 s GLU 125 CO -0.02 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2i85 n GLY 126 N 5.35 -3.57 0.00 -1.39 0.00 0.31 -5.00 105.19 100.88 2i85 n GLY 126 Ca -0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.31 -0.46 0.29 -0.02 0.00 -1.26 -4.46 105.19 97.97 2i85 n GLY 127 Ca 0.00 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 0.60 0.00 1.61 -1.51 -1.92 -0.76 116.25 114.27 2i85 h VAL 128 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2i85 h VAL 128 Cb 0.00 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2i85 h VAL 128 CO 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.35 2i85 h GLN 130 N 0.00 0.15 0.00 0.00 -0.00 -1.46 -3.41 115.11 110.38 2i85 h GLN 130 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 2i85 h GLN 130 Cb 0.03 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.60 2i85 h GLN 130 CO 0.00 0.92 -0.07 2.41 0.00 0.00 0.00 178.83 182.09 2i85 n THR 131 N -3.32 0.00 0.20 2.39 -1.04 -1.21 -4.84 114.28 106.47 2i85 n THR 131 Ca -0.17 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.00 2i85 n THR 131 Cb 1.04 -0.24 0.81 0.00 -1.82 0.00 0.00 70.33 70.12 2i85 n THR 131 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2i85 h ARG 132 N 0.00 0.00 -5.63 -2.82 9.65 -1.58 -3.47 114.38 110.53 2i85 h ARG 132 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2i85 h ARG 132 Cb 0.07 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2i85 h ARG 132 CO 0.00 0.00 -0.37 0.00 2.80 0.00 0.00 179.97 182.40 2i85 n ALA 133 N -2.38 -2.54 -2.53 2.80 0.00 -0.55 -4.93 120.51 110.38 2i85 n ALA 133 Ca 0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2i85 n ALA 133 Cb 0.29 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.37 2i85 n ALA 133 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2i85 n MET 134 N -2.34 5.05 -4.33 0.00 0.00 -1.22 -3.42 117.12 110.87 2i85 n MET 134 Ca -0.06 -4.33 -0.17 0.00 0.00 0.00 0.00 57.70 53.14 2i85 n MET 134 Cb 0.55 -2.53 -0.10 0.00 0.00 0.00 0.00 33.22 31.14 2i85 n MET 134 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2i85 s LYS 135 N -3.20 1.30 0.02 2.12 3.01 -0.42 -1.59 119.74 120.99 2i85 s LYS 135 Ca 0.41 -1.63 0.01 0.00 -1.01 0.00 0.00 55.97 53.75 2i85 s LYS 135 Cb 0.17 -0.74 -0.02 0.00 -1.01 0.00 0.00 37.83 36.23 2i85 s LYS 135 CO -0.08 -0.01 -0.04 0.96 0.51 0.00 0.00 175.35 176.68 2i85 s ILE 136 N -3.30 0.24 -0.05 2.17 -5.25 0.31 -1.76 121.20 113.56 2i85 s ILE 136 Ca 0.25 -0.89 0.04 0.00 -0.99 0.00 0.00 60.65 59.07 2i85 s ILE 136 Cb 0.04 -0.35 -0.00 0.00 2.95 0.00 0.00 42.46 45.10 2i85 s ILE 136 CO 0.07 -0.42 -0.19 -0.22 -1.79 0.00 0.00 174.94 172.40 2i85 s LEU 137 N -1.37 1.93 -0.17 0.37 2.96 -1.16 -2.71 118.68 118.53 2i85 s LEU 137 Ca -0.13 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2i85 s LEU 137 Cb -0.09 -1.06 0.03 0.00 0.50 0.00 0.00 46.19 45.56 2i85 s LEU 137 CO -0.00 0.16 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.99 2i85 s MET 138 N 0.11 2.43 -0.22 1.98 -1.94 -0.18 -2.05 119.30 119.43 2i85 s MET 138 Ca -0.06 -0.70 -0.02 0.00 -1.71 0.00 0.00 55.69 53.19 2i85 s MET 138 Cb -0.13 -2.31 0.01 0.00 2.01 0.00 0.00 34.83 34.41 2i85 s MET 138 CO 0.03 -0.27 -0.08 0.15 -0.01 0.00 0.00 175.02 174.84 2i85 s LYS 139 N 1.41 3.16 -0.24 2.03 1.02 -1.26 -1.93 119.74 123.93 2i85 s LYS 139 Ca 0.03 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 2i85 s LYS 139 Cb -0.14 -2.90 0.09 0.00 -0.52 0.00 0.00 37.83 34.37 2i85 s LYS 139 CO -0.11 -0.25 0.54 0.54 -0.92 0.00 0.00 175.35 175.16 2i85 s VAL 140 N 1.40 -0.43 0.00 3.17 0.11 -1.26 -4.80 120.40 118.60 2i85 s VAL 140 Ca 0.04 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2i85 s VAL 140 Cb -0.14 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2i85 s VAL 140 CO -0.06 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2i85 n GLY 141 N 4.87 -1.28 0.00 6.54 0.00 -1.26 -2.29 105.19 111.77 2i85 n GLY 141 Ca -0.16 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2i85 n GLY 141 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14