#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 1.12 -0.30 1.43 2.47 -1.25 -5.06 119.74 118.15 2i85 s LYS 2 Ca 0.00 -0.53 -0.06 0.00 -1.56 0.00 0.00 55.97 53.82 2i85 s LYS 2 Cb 0.00 -2.00 0.17 0.00 -1.46 0.00 0.00 37.83 34.54 2i85 s LYS 2 CO 0.00 -2.02 0.70 0.45 0.16 0.00 0.00 175.35 174.64 2i85 s SER 3 N -4.80 -1.14 0.04 1.43 0.15 -1.26 -4.32 113.70 103.79 2i85 s SER 3 Ca 0.70 1.02 -0.00 0.00 0.70 0.00 0.00 55.95 58.37 2i85 s SER 3 Cb -0.05 2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 66.34 2i85 s SER 3 CO 0.50 -0.22 -0.01 2.30 1.20 0.00 0.00 173.24 177.02 2i85 n ILE 4 N 5.40 0.52 -2.47 6.45 -0.00 -1.25 -4.99 119.36 123.03 2i85 n ILE 4 Ca -0.06 0.16 -0.02 0.00 -0.00 0.00 0.00 62.75 62.83 2i85 n ILE 4 Cb 0.51 -1.55 -0.02 0.00 -0.00 0.00 0.00 39.64 38.58 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 -3.22-12.09 -4.46 7.28 0.31 -1.26 -4.97 118.33 99.92 2i85 n VAL 5 Ca -0.01 2.75 -0.22 0.00 -0.01 0.00 0.00 64.34 66.86 2i85 n VAL 5 Cb 0.31 -5.90 -0.11 0.00 -0.91 0.00 0.00 33.84 27.23 2i85 n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2i85 s LEU 6 N -0.57 2.24 -0.38 7.52 1.43 -0.51 -4.92 118.68 123.49 2i85 s LEU 6 Ca -0.11 -1.36 0.01 0.00 -1.03 0.00 0.00 54.13 51.63 2i85 s LEU 6 Cb 0.01 -0.43 0.14 0.00 0.03 0.00 0.00 46.19 45.94 2i85 s LEU 6 CO 0.31 -0.58 0.22 -1.61 0.23 0.00 0.00 176.35 174.92 2i85 s GLU 7 N -3.87 0.75 0.21 1.70 8.01 -1.26 -3.72 118.70 120.51 2i85 s GLU 7 Ca 0.36 -1.53 -0.09 0.00 0.01 0.00 0.00 54.97 53.71 2i85 s GLU 7 Cb 0.08 -1.57 0.15 0.00 -4.31 0.00 0.00 34.13 28.48 2i85 s GLU 7 CO 0.15 -1.20 1.81 -1.00 0.01 0.00 0.00 175.26 175.03 2i85 h PRO 8 N 6.89 1.08 -3.89 0.39 0.13 -1.94 -3.41 132.00 131.25 2i85 h PRO 8 Ca 0.05 -0.15 -0.59 0.00 -0.87 0.00 0.00 66.00 64.44 2i85 h PRO 8 Cb 0.96 -0.20 -0.40 0.00 0.13 0.00 0.00 31.00 31.49 2i85 h PRO 8 CO 0.32 0.83 -0.76 0.42 -0.23 0.00 0.00 178.00 178.58 2i85 s ILE 9 N -5.75 1.18 -0.47 -3.56 -1.09 -1.10 -4.44 121.20 105.96 2i85 s ILE 9 Ca -0.13 -1.39 0.08 0.00 -2.23 0.00 0.00 60.65 56.98 2i85 s ILE 9 Cb 0.15 -1.77 0.28 0.00 -1.58 0.00 0.00 42.46 39.54 2i85 s ILE 9 CO 0.81 -0.48 0.66 0.00 -1.23 0.00 0.00 174.94 174.70 2i85 n TYR 10 N 4.75 1.25 0.00 3.97 9.36 -1.25 -0.49 117.16 134.74 2i85 n TYR 10 Ca -0.04 -3.81 0.00 0.00 3.32 0.00 0.00 57.90 57.37 2i85 n TYR 10 Cb 0.43 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2i85 n TYR 10 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2i85 n TRP 11 N 0.91 0.00 -2.20 2.98 7.02 -0.97 -4.89 117.44 120.29 2i85 n TRP 11 Ca 0.25 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.32 2i85 n TRP 11 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 2i85 n TRP 11 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2i85 s ASN 12 N 0.00 6.88 0.24 -0.99 0.01 -1.26 -4.50 114.94 115.32 2i85 s ASN 12 Ca 0.00 2.52 0.09 0.00 -0.71 0.00 0.00 52.86 54.76 2i85 s ASN 12 Cb 0.00 -2.63 0.25 0.00 0.41 0.00 0.00 41.25 39.28 2i85 s ASN 12 CO 0.00 -0.49 1.55 0.28 -1.51 0.00 0.00 177.10 176.93 2i85 h SER 13 N 4.34 0.05 -2.27 -1.22 0.02 -1.93 -3.45 113.55 109.10 2i85 h SER 13 Ca -0.47 -0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 59.88 2i85 h SER 13 Cb 1.22 -0.01 0.04 0.00 0.14 0.00 0.00 62.40 63.78 2i85 h SER 13 CO 0.71 0.71 1.03 -1.20 -1.14 0.00 0.00 176.83 176.94 2i85 n SER 14 N -3.75 3.59 -4.85 3.07 7.64 -1.26 -4.99 113.62 113.08 2i85 n SER 14 Ca -0.01 1.00 -0.22 0.00 1.01 0.00 0.00 58.87 60.65 2i85 n SER 14 Cb 0.67 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.38 2i85 n SER 14 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2i85 s ASN 15 N 2.79 4.92 0.15 6.43 3.84 -1.26 -4.85 114.94 126.95 2i85 s ASN 15 Ca 0.85 -0.82 -0.13 0.00 0.21 0.00 0.00 52.86 52.97 2i85 s ASN 15 Cb -0.61 -0.55 0.03 0.00 -0.55 0.00 0.00 41.25 39.58 2i85 s ASN 15 CO 0.43 -0.63 1.67 0.77 -2.79 0.00 0.00 177.10 176.55 2i85 h SER 16 N 1.11 0.76 0.76 -4.21 4.64 -1.86 -2.99 113.55 111.76 2i85 h SER 16 Ca -0.42 -0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 60.49 2i85 h SER 16 Cb 1.26 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2i85 h SER 16 CO 0.60 0.78 -0.89 0.11 -0.87 0.00 0.00 176.83 176.55 2i85 h LYS 17 N 0.70 0.08 -6.76 4.77 1.79 -1.97 -3.49 116.57 111.69 2i85 h LYS 17 Ca 0.16 -0.10 -0.56 0.00 -2.18 0.00 0.00 60.65 57.98 2i85 h LYS 17 Cb 0.30 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2i85 h LYS 17 CO -0.00 0.92 -0.99 0.34 -1.08 0.00 0.00 179.45 178.63 2i85 n PHE 18 N -3.56 -1.51 -3.68 -1.35 7.35 -1.13 -3.45 117.46 110.12 2i85 n PHE 18 Ca -0.02 0.18 -0.25 0.00 -0.76 0.00 0.00 57.45 56.60 2i85 n PHE 18 Cb 0.83 -2.96 0.01 0.00 0.35 0.00 0.00 39.48 37.71 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 -4.83 -0.91 0.04 -2.13 -0.00 -1.09 -4.83 117.00 103.26 2i85 n LEU 19 Ca -0.11 -0.85 0.09 0.00 -0.00 0.00 0.00 56.01 55.14 2i85 n LEU 19 Cb 0.57 -1.22 0.39 0.00 -0.00 0.00 0.00 43.42 43.17 2i85 n LEU 19 CO 0.73 0.44 0.79 -0.81 -0.00 0.00 0.00 177.39 178.54 2i85 n PRO 20 N -2.85 0.07 0.00 1.47 -0.04 -1.22 -4.63 135.00 127.79 2i85 n PRO 20 Ca -0.19 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2i85 n PRO 20 Cb 0.50 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.16 0.04 0.00 0.55 0.00 -1.26 -5.00 105.19 99.68 2i85 n GLY 21 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.41 0.00 1.61 6.02 -1.26 -4.79 117.38 121.37 2i85 n GLN 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2i85 n GLN 22 Cb 0.00 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 2.17 1.21 2.88 1.08 0.00 -1.09 -1.44 105.19 110.01 2i85 n GLY 23 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 1.63 -0.16 0.99 2.96 -0.41 -2.66 118.68 121.04 2i85 s LEU 24 Ca 0.00 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2i85 s LEU 24 Cb 0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 2i85 s LEU 24 CO 0.00 -0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.38 2i85 s VAL 25 N 0.41 4.81 0.08 1.68 1.01 -1.26 -2.48 120.40 124.65 2i85 s VAL 25 Ca -0.04 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2i85 s VAL 25 Cb -0.07 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2i85 s VAL 25 CO -0.01 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 174.67 2i85 s LEU 26 N 0.01 2.75 -0.21 3.92 2.01 -0.45 -4.98 118.68 121.73 2i85 s LEU 26 Ca 0.06 -0.45 0.01 0.00 0.01 0.00 0.00 54.13 53.76 2i85 s LEU 26 Cb -0.12 -1.60 0.03 0.00 0.01 0.00 0.00 46.19 44.51 2i85 s LEU 26 CO 0.01 0.22 -0.15 -0.72 1.01 0.00 0.00 176.35 176.72 2i85 s TYR 27 N -1.06 2.95 -1.12 0.29 1.13 -1.26 -3.68 117.35 114.60 2i85 s TYR 27 Ca 0.17 -1.75 -0.20 0.00 -1.41 0.00 0.00 57.07 53.88 2i85 s TYR 27 Cb -0.11 -1.95 -0.06 0.00 -1.10 0.00 0.00 41.96 38.74 2i85 s TYR 27 CO 0.08 -0.80 1.95 -0.35 -2.51 0.00 0.00 175.55 173.92 2i85 n PRO 28 N 4.59 2.09 -3.97 -3.49 -0.04 -1.26 -4.88 135.00 128.04 2i85 n PRO 28 Ca -0.19 -2.44 -0.29 0.00 -0.04 0.00 0.00 63.50 60.55 2i85 n PRO 28 Cb 0.48 -3.34 -0.17 0.00 -0.04 0.00 0.00 33.50 30.43 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 4.98 1.93 0.18 0.54 -0.21 -1.26 -4.93 119.66 120.90 2i85 s GLN 29 Ca 0.58 -0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.22 2i85 s GLN 29 Cb 0.08 -1.88 -0.10 0.00 1.00 0.00 0.00 33.01 32.11 2i85 s GLN 29 CO 0.08 -0.26 1.48 0.42 -2.12 0.00 0.00 175.29 174.90 2i85 s ILE 30 N 1.59 2.78 0.00 1.08 -1.09 -1.26 -3.18 121.20 121.12 2i85 s ILE 30 Ca 0.05 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2i85 s ILE 30 Cb -0.13 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2i85 s ILE 30 CO -0.10 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 2i85 n GLY 31 N 3.14 1.69 3.75 6.18 0.00 0.01 -3.84 105.19 116.13 2i85 n GLY 31 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2i85 n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i85 s ASP 32 N -1.06 4.30 0.00 1.61 2.15 -1.19 -3.78 116.67 118.70 2i85 s ASP 32 Ca 0.00 1.90 -0.09 0.00 0.43 0.00 0.00 52.55 54.79 2i85 s ASP 32 Cb 0.00 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2i85 s ASP 32 CO 0.00 -2.17 0.19 -0.54 -0.17 0.00 0.00 175.17 172.48 2i85 s LYS 33 N -4.78 0.56 -0.04 4.34 1.02 -1.26 -2.43 119.74 117.15 2i85 s LYS 33 Ca 0.63 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 2i85 s LYS 33 Cb -0.18 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.39 2i85 s LYS 33 CO 0.55 -0.14 0.08 -0.51 -0.92 0.00 0.00 175.35 174.40 2i85 s LEU 34 N -1.47 1.04 -0.12 3.17 1.02 -0.68 -1.42 118.68 120.22 2i85 s LEU 34 Ca -0.13 0.14 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 2i85 s LEU 34 Cb -0.06 0.12 -0.03 0.00 0.02 0.00 0.00 46.19 46.24 2i85 s LEU 34 CO 0.02 -0.12 -0.06 -1.81 0.02 0.00 0.00 176.35 174.39 2i85 s ASP 35 N 0.98 4.65 -0.23 2.29 1.11 -1.24 -1.03 116.67 123.19 2i85 s ASP 35 Ca -0.08 -0.10 0.01 0.00 0.18 0.00 0.00 52.55 52.56 2i85 s ASP 35 Cb -0.11 -1.52 0.04 0.00 1.07 0.00 0.00 42.92 42.40 2i85 s ASP 35 CO -0.04 0.25 -0.12 -0.51 1.18 0.00 0.00 175.17 175.93 2i85 s ILE 36 N -0.13 2.38 -0.04 0.77 2.07 0.02 -2.72 121.20 123.54 2i85 s ILE 36 Ca 0.02 -1.24 0.02 0.00 -1.41 0.00 0.00 60.65 58.04 2i85 s ILE 36 Cb -0.13 -2.22 0.01 0.00 0.13 0.00 0.00 42.46 40.25 2i85 s ILE 36 CO 0.03 0.21 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.55 2i85 s ILE 37 N 1.23 0.76 -0.05 2.00 1.01 0.35 -0.81 121.20 125.70 2i85 s ILE 37 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2i85 s ILE 37 Cb -0.17 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.60 2i85 s ILE 37 CO -0.07 0.26 -0.04 0.00 0.00 0.00 0.00 174.94 175.10 2i85 n PRO 39 N 4.20 -1.43 -4.25 0.00 -0.04 -1.26 -2.17 135.00 130.04 2i85 n PRO 39 Ca -0.23 -0.97 -0.15 0.00 -0.04 0.00 0.00 63.50 62.12 2i85 n PRO 39 Cb 0.51 -0.77 -0.10 0.00 -0.04 0.00 0.00 33.50 33.09 2i85 n PRO 39 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2i85 s LYS 40 N -4.37 1.06 -0.09 0.54 0.00 -1.26 -4.63 119.74 110.99 2i85 s LYS 40 Ca 0.37 -1.42 -0.03 0.00 0.00 0.00 0.00 55.97 54.90 2i85 s LYS 40 Cb -0.02 -0.68 0.04 0.00 0.00 0.00 0.00 37.83 37.16 2i85 s LYS 40 CO 0.27 0.09 0.05 0.08 0.00 0.00 0.00 175.35 175.85 2i85 s VAL 41 N -3.12 0.07 0.14 1.79 1.01 -1.26 -4.85 120.40 114.17 2i85 s VAL 41 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2i85 s VAL 41 Cb 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2i85 s VAL 41 CO 0.01 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.63 2i85 n ASP 42 N 5.24 -1.25 0.04 3.32 9.92 -1.26 -4.57 116.55 127.99 2i85 n ASP 42 Ca -0.05 0.47 -0.12 0.00 -0.53 0.00 0.00 54.79 54.56 2i85 n ASP 42 Cb 0.49 1.42 -0.13 0.00 -0.64 0.00 0.00 41.12 42.26 2i85 n ASP 42 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2i85 h SER 43 N 0.00 0.17 0.00 -2.24 0.02 -2.02 -3.38 113.55 106.11 2i85 h SER 43 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2i85 h SER 43 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2i85 h SER 43 CO 0.00 1.20 -0.03 0.11 -1.14 0.00 0.00 176.83 176.97 2i85 h LYS 44 N 0.03 0.01 -6.11 3.45 1.79 -1.93 -3.48 116.57 110.32 2i85 h LYS 44 Ca -0.18 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 57.93 2i85 h LYS 44 Cb 1.94 0.01 -0.20 0.00 -1.58 0.00 0.00 32.23 32.40 2i85 h LYS 44 CO 0.13 0.99 -0.49 0.25 -1.08 0.00 0.00 179.45 179.25 2i85 n THR 45 N -4.60 -0.08 0.02 -0.16 -2.24 -1.26 -4.83 114.28 101.12 2i85 n THR 45 Ca -0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2i85 n THR 45 Cb 0.48 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 2i85 n THR 45 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2i85 h VAL 46 N -0.50 1.18 0.00 2.28 3.04 -1.95 -3.36 116.25 116.93 2i85 h VAL 46 Ca -0.33 -2.95 0.00 0.00 -1.01 0.00 0.00 66.70 62.42 2i85 h VAL 46 Cb 1.21 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 2i85 h VAL 46 CO 0.48 0.71 -0.52 0.61 -1.01 0.00 0.00 177.57 177.85 2i85 n GLY 47 N 1.52 0.00 3.79 3.17 0.00 -1.26 -5.07 105.19 107.34 2i85 n GLY 47 Ca -0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.26 -1.27 -4.23 1.61 1.13 -1.26 -5.00 117.38 107.10 2i85 n GLN 48 Ca 0.02 0.67 -0.24 0.00 -1.94 0.00 0.00 57.00 55.50 2i85 n GLN 48 Cb 0.17 -2.65 -0.08 0.00 0.11 0.00 0.00 30.24 27.79 2i85 n GLN 48 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2i85 s TYR 49 N -3.11 2.60 0.38 1.08 5.04 -1.26 -5.16 117.35 116.92 2i85 s TYR 49 Ca 0.11 -0.48 0.07 0.00 -2.44 0.00 0.00 57.07 54.34 2i85 s TYR 49 Cb -0.06 -1.68 -0.01 0.00 0.35 0.00 0.00 41.96 40.56 2i85 s TYR 49 CO 0.90 0.36 0.43 -1.21 -1.34 0.00 0.00 175.55 174.69 2i85 s GLU 50 N -3.80 2.78 0.52 4.97 8.01 -1.26 -4.90 118.70 125.02 2i85 s GLU 50 Ca 0.37 -1.29 -0.04 0.00 0.01 0.00 0.00 54.97 54.02 2i85 s GLU 50 Cb 0.01 -2.60 -0.01 0.00 -4.31 0.00 0.00 34.13 27.23 2i85 s GLU 50 CO 0.21 -0.10 0.81 1.52 0.01 0.00 0.00 175.26 177.71 2i85 s TYR 51 N -2.34 3.35 0.06 1.61 1.13 -1.26 -5.07 117.35 114.83 2i85 s TYR 51 Ca 0.48 0.60 -0.04 0.00 -1.41 0.00 0.00 57.07 56.70 2i85 s TYR 51 Cb -0.07 -2.49 -0.02 0.00 -1.10 0.00 0.00 41.96 38.28 2i85 s TYR 51 CO 0.30 -0.53 0.06 0.71 -2.51 0.00 0.00 175.55 173.58 2i85 s TYR 52 N -2.80 0.36 -0.31 -3.49 2.02 -1.14 -4.96 117.35 107.02 2i85 s TYR 52 Ca 0.50 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2i85 s TYR 52 Cb -0.10 -0.25 0.11 0.00 -0.40 0.00 0.00 41.96 41.31 2i85 s TYR 52 CO 0.43 -0.43 0.13 -1.59 -1.57 0.00 0.00 175.55 172.52 2i85 s LYS 53 N -3.73 0.50 -0.10 -0.62 -2.85 -1.25 -1.81 119.74 109.87 2i85 s LYS 53 Ca 0.05 -0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 2i85 s LYS 53 Cb 0.06 -1.58 -0.01 0.00 -2.06 0.00 0.00 37.83 34.23 2i85 s LYS 53 CO -0.10 -1.03 0.97 0.08 0.10 0.00 0.00 175.35 175.38 2i85 s VAL 54 N 1.71 4.81 -0.01 1.79 1.01 -0.56 -3.98 120.40 125.16 2i85 s VAL 54 Ca 0.11 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.94 2i85 s VAL 54 Cb -0.18 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.94 2i85 s VAL 54 CO -0.27 0.03 0.26 -0.47 0.00 0.00 0.00 175.10 174.65 2i85 s TYR 55 N 1.92 -0.13 -0.38 5.22 5.04 -0.83 -0.48 117.35 127.71 2i85 s TYR 55 Ca 0.47 0.18 -0.29 0.00 -2.44 0.00 0.00 57.07 54.99 2i85 s TYR 55 Cb -0.18 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.20 2i85 s TYR 55 CO 0.18 -0.36 1.33 -1.64 -1.34 0.00 0.00 175.55 173.72 2i85 s MET 56 N -1.30 3.73 -0.09 4.97 -1.94 -1.26 -1.24 119.30 122.16 2i85 s MET 56 Ca -0.14 0.99 -0.15 0.00 -1.71 0.00 0.00 55.69 54.69 2i85 s MET 56 Cb -0.06 -3.95 0.03 0.00 2.01 0.00 0.00 34.83 32.87 2i85 s MET 56 CO 0.03 -1.37 0.37 0.08 -0.01 0.00 0.00 175.02 174.13 2i85 s VAL 57 N 4.88 0.02 0.71 -6.03 1.01 -0.43 -4.92 120.40 115.63 2i85 s VAL 57 Ca 0.57 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2i85 s VAL 57 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2i85 s VAL 57 CO 0.29 -0.09 1.02 0.47 0.00 0.00 0.00 175.10 176.79 2i85 n ASP 58 N 2.21 0.74 0.26 3.32 9.92 -1.26 -3.53 116.55 128.22 2i85 n ASP 58 Ca -0.16 0.69 0.12 0.00 -0.53 0.00 0.00 54.79 54.91 2i85 n ASP 58 Cb 0.57 -1.43 0.72 0.00 -0.64 0.00 0.00 41.12 40.34 2i85 n ASP 58 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2i85 h LYS 59 N -0.13 0.00 -0.33 -1.24 3.64 -1.95 -1.34 116.57 115.23 2i85 h LYS 59 Ca -0.48 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2i85 h LYS 59 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2i85 h LYS 59 CO 0.48 0.12 0.25 0.22 -2.27 0.00 0.00 179.45 178.25 2i85 h ASP 60 N 0.00 0.00 -0.75 4.20 3.58 -2.02 -2.30 116.42 119.12 2i85 h ASP 60 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2i85 h ASP 60 Cb 0.31 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 2i85 h ASP 60 CO 0.02 0.00 0.43 0.06 -2.88 0.00 0.00 179.24 176.86 2i85 h GLN 61 N 0.00 1.04 0.00 0.28 -0.00 -1.56 -3.03 115.11 111.84 2i85 h GLN 61 Ca 0.16 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2i85 h GLN 61 Cb 0.66 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 2i85 h GLN 61 CO -0.00 0.76 -0.02 0.00 -0.00 0.00 0.00 178.83 179.57 2i85 h ALA 62 N 1.22 1.03 -0.56 0.06 0.00 -1.55 0.25 119.26 119.70 2i85 h ALA 62 Ca 0.27 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.27 2i85 h ALA 62 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2i85 h ALA 62 CO -0.05 0.02 0.38 0.22 0.00 0.00 0.00 179.25 179.83 2i85 h ASP 63 N 0.00 0.24 0.00 0.00 1.82 -1.62 -3.05 116.42 113.81 2i85 h ASP 63 Ca -0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2i85 h ASP 63 Cb 0.30 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2i85 h ASP 63 CO 0.00 0.14 -0.78 0.54 -1.61 0.00 0.00 179.24 177.54 2i85 n ARG 64 N -4.45 2.60 -3.52 0.28 5.12 -0.19 -5.05 116.66 111.45 2i85 n ARG 64 Ca 0.10 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.78 2i85 n ARG 64 Cb 0.44 -0.95 0.08 0.00 -1.16 0.00 0.00 32.46 30.87 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 -3.33 2.31 0.46 0.00 -4.23 -1.15 -1.73 115.64 107.97 2i85 s THR 66 Ca 0.37 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.58 2i85 s THR 66 Cb -0.16 -2.58 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 2i85 s THR 66 CO 0.72 -0.39 1.30 -0.63 -0.54 0.00 0.00 174.62 175.07 2i85 s ILE 67 N 0.99 2.54 0.11 2.99 -1.09 0.12 -4.83 121.20 122.03 2i85 s ILE 67 Ca 0.03 0.45 -0.31 0.00 -2.23 0.00 0.00 60.65 58.59 2i85 s ILE 67 Cb -0.20 -3.25 -0.09 0.00 -1.58 0.00 0.00 42.46 37.35 2i85 s ILE 67 CO -0.07 0.03 1.58 -0.54 -1.23 0.00 0.00 174.94 174.72 2i85 s LYS 68 N -2.52 4.22 0.31 2.79 -0.14 -1.26 -4.93 119.74 118.21 2i85 s LYS 68 Ca 0.62 2.30 0.22 0.00 -1.36 0.00 0.00 55.97 57.75 2i85 s LYS 68 Cb -0.37 -3.39 1.15 0.00 -1.68 0.00 0.00 37.83 33.54 2i85 s LYS 68 CO 0.46 -0.65 1.68 0.36 -0.76 0.00 0.00 175.35 176.44 2i85 n LYS 69 N 4.81 0.15 0.00 1.68 2.85 -1.26 -1.41 118.16 124.98 2i85 n LYS 69 Ca 0.15 0.60 0.09 0.00 -1.05 0.00 0.00 58.31 58.10 2i85 n LYS 69 Cb 0.40 -1.95 0.56 0.00 -0.65 0.00 0.00 35.03 33.39 2i85 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2i85 n GLU 70 N -2.27 0.66 -1.02 -1.58 1.02 -1.26 -4.85 120.64 111.34 2i85 n GLU 70 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 2i85 n GLU 70 Cb 0.07 -1.45 0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.95 -1.71 0.00 1.62 0.23 -0.50 -4.89 115.26 109.07 2i85 n ASN 71 Ca 0.14 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 2i85 n ASN 71 Cb 0.06 -1.21 0.00 0.00 -2.08 0.00 0.00 39.78 36.56 2i85 n ASN 71 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2i85 n THR 72 N -3.01 0.00 -1.12 5.53 -1.04 -1.26 -5.01 114.28 108.37 2i85 n THR 72 Ca 0.08 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.88 2i85 n THR 72 Cb 0.52 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.91 2i85 n THR 72 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2i85 n PRO 73 N 0.00 2.57 -1.85 -2.82 -0.04 -1.26 -4.94 135.00 126.67 2i85 n PRO 73 Ca 0.00 -1.43 -0.39 0.00 -0.04 0.00 0.00 63.50 61.64 2i85 n PRO 73 Cb 0.00 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.23 2i85 n PRO 73 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2i85 s LEU 74 N -0.02 3.99 0.00 1.53 0.05 -1.26 -4.72 118.68 118.24 2i85 s LEU 74 Ca 0.68 2.78 0.00 0.00 0.05 0.00 0.00 54.13 57.64 2i85 s LEU 74 Cb 0.28 -4.11 0.00 0.00 -2.05 0.00 0.00 46.19 40.30 2i85 s LEU 74 CO -0.02 -1.32 0.00 -0.11 -0.55 0.00 0.00 176.35 174.35 2i85 n LEU 75 N -0.58 0.00 0.00 1.48 0.00 0.37 -4.84 117.00 113.43 2i85 n LEU 75 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.09 2i85 n LEU 75 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2i85 n LEU 75 CO 0.55 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.74 2i85 n ASN 76 N 0.00 0.00 -2.71 1.96 2.85 -1.26 -1.50 115.26 114.60 2i85 n ASN 76 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 2i85 n ASN 76 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i85 s ALA 78 N 0.83 1.17 0.57 0.00 0.00 -1.25 -2.91 121.76 120.18 2i85 s ALA 78 Ca 0.27 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2i85 s ALA 78 Cb 0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2i85 s ALA 78 CO -0.10 -2.96 0.00 1.63 0.00 0.00 0.00 175.76 174.34 2i85 n LYS 79 N -4.36 -3.10 0.26 0.00 4.76 -1.26 -4.16 118.16 110.29 2i85 n LYS 79 Ca 0.11 2.51 0.14 0.00 -2.87 0.00 0.00 58.31 58.20 2i85 n LYS 79 Cb 0.52 -3.63 0.57 0.00 -1.84 0.00 0.00 35.03 30.65 2i85 n LYS 79 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2i85 h PRO 80 N -1.33 0.00 -1.52 1.97 0.13 -1.96 -3.40 132.00 125.89 2i85 h PRO 80 Ca -0.17 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.70 2i85 h PRO 80 Cb 1.29 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.17 2i85 h PRO 80 CO 0.07 0.08 -0.61 0.34 -0.23 0.00 0.00 178.00 177.65 2i85 s ASP 81 N -5.90 -0.14 -0.25 1.44 2.15 -1.26 -4.60 116.67 108.12 2i85 s ASP 81 Ca 0.01 -1.51 -0.20 0.00 0.43 0.00 0.00 52.55 51.28 2i85 s ASP 81 Cb 0.09 1.15 0.07 0.00 -0.30 0.00 0.00 42.92 43.93 2i85 s ASP 81 CO 0.58 -0.18 0.64 -1.58 -0.17 0.00 0.00 175.17 174.46 2i85 s GLN 82 N 1.32 0.71 0.41 4.34 0.74 -1.26 -4.97 119.66 120.94 2i85 s GLN 82 Ca 0.21 0.99 -0.25 0.00 0.05 0.00 0.00 55.36 56.35 2i85 s GLN 82 Cb -0.07 0.27 -0.08 0.00 1.10 0.00 0.00 33.01 34.22 2i85 s GLN 82 CO -0.06 -0.11 1.21 0.16 -0.55 0.00 0.00 175.29 175.93 2i85 s ASP 83 N 0.80 6.44 -0.02 6.67 -4.77 -1.26 -4.53 116.67 120.00 2i85 s ASP 83 Ca -0.04 2.43 0.03 0.00 -3.30 0.00 0.00 52.55 51.68 2i85 s ASP 83 Cb -0.05 -2.62 -0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2i85 s ASP 83 CO -0.06 -0.74 -0.11 -0.51 0.70 0.00 0.00 175.17 174.44 2i85 s ILE 84 N -1.37 0.94 -0.08 2.11 1.10 -0.92 -5.00 121.20 117.97 2i85 s ILE 84 Ca 0.57 -0.47 -0.03 0.00 -0.51 0.00 0.00 60.65 60.21 2i85 s ILE 84 Cb -0.33 -0.81 0.04 0.00 0.15 0.00 0.00 42.46 41.52 2i85 s ILE 84 CO 0.41 0.28 0.16 -1.59 -2.11 0.00 0.00 174.94 172.09 2i85 s LYS 85 N -0.02 0.10 -0.07 3.50 -2.85 -1.26 -1.48 119.74 117.67 2i85 s LYS 85 Ca -0.00 0.43 -0.04 0.00 -1.00 0.00 0.00 55.97 55.35 2i85 s LYS 85 Cb -0.07 -0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.54 2i85 s LYS 85 CO 0.00 -0.19 0.17 0.12 0.10 0.00 0.00 175.35 175.55 2i85 s PHE 86 N 1.38 -0.19 -0.09 1.78 2.19 0.01 -5.01 117.98 118.05 2i85 s PHE 86 Ca -0.07 0.50 0.02 0.00 0.33 0.00 0.00 56.93 57.71 2i85 s PHE 86 Cb -0.12 0.00 0.01 0.00 -1.31 0.00 0.00 43.02 41.61 2i85 s PHE 86 CO -0.06 -0.14 -0.16 -0.08 1.83 0.00 0.00 175.22 176.61 2i85 s THR 87 N 0.66 1.46 -0.15 0.12 -1.32 -1.26 -0.80 115.64 114.34 2i85 s THR 87 Ca -0.05 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 59.76 2i85 s THR 87 Cb -0.06 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 2i85 s THR 87 CO -0.03 0.43 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.13 2i85 s ILE 88 N 0.74 3.80 -0.36 5.08 1.01 -0.20 -5.02 121.20 126.26 2i85 s ILE 88 Ca -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 2i85 s ILE 88 Cb -0.16 -2.66 0.09 0.00 0.01 0.00 0.00 42.46 39.75 2i85 s ILE 88 CO 0.03 0.50 0.11 -0.75 0.00 0.00 0.00 174.94 174.82 2i85 s LYS 89 N 0.30 1.92 -1.20 2.79 2.20 -1.26 -1.68 119.74 122.82 2i85 s LYS 89 Ca -0.04 -1.72 -0.21 0.00 -0.36 0.00 0.00 55.97 53.63 2i85 s LYS 89 Cb -0.14 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2i85 s LYS 89 CO 0.03 -0.93 1.89 1.19 -0.36 0.00 0.00 175.35 177.17 2i85 n PHE 90 N 4.48 3.16 -0.11 4.03 3.72 -1.02 -4.66 117.46 127.06 2i85 n PHE 90 Ca -0.03 -1.84 -0.19 0.00 -0.05 0.00 0.00 57.45 55.34 2i85 n PHE 90 Cb 0.42 -2.58 -0.07 0.00 -0.94 0.00 0.00 39.48 36.32 2i85 n PHE 90 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2i85 n GLN 91 N 8.19 0.56 0.00 -1.08 7.27 -1.26 -0.81 117.38 130.25 2i85 n GLN 91 Ca 0.46 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.79 2i85 n GLN 91 Cb 0.46 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.63 2i85 n GLN 91 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2i85 n GLU 92 N -4.37 0.00 -4.19 3.69 -0.58 -1.26 -4.81 120.64 109.13 2i85 n GLU 92 Ca -0.34 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.23 2i85 n GLU 92 Cb 0.69 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.45 2i85 n GLU 92 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2i85 s PHE 93 N 0.00 1.22 -0.03 -0.32 0.40 -1.26 -4.85 117.98 113.14 2i85 s PHE 93 Ca 0.00 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2i85 s PHE 93 Cb 0.00 -0.67 0.00 0.00 0.51 0.00 0.00 43.02 42.86 2i85 s PHE 93 CO 0.00 0.07 -0.10 -1.12 0.70 0.00 0.00 175.22 174.76 2i85 s SER 94 N -2.09 1.40 0.52 1.36 0.01 -1.26 -5.03 113.70 108.61 2i85 s SER 94 Ca 0.02 -0.22 0.30 0.00 1.31 0.00 0.00 55.95 57.37 2i85 s SER 94 Cb -0.07 -0.41 1.04 0.00 0.21 0.00 0.00 66.02 66.79 2i85 s SER 94 CO 0.02 0.07 1.87 1.55 0.41 0.00 0.00 173.24 177.16 2i85 h PRO 95 N 6.44 0.00 -4.75 12.44 0.13 -2.02 -3.40 132.00 140.84 2i85 h PRO 95 Ca -0.33 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 2i85 h PRO 95 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2i85 h PRO 95 CO 0.48 0.00 -0.53 -0.80 -0.23 0.00 0.00 178.00 176.92 2i85 s ASN 96 N -5.85 5.71 -0.03 1.44 0.01 -1.26 -5.00 114.94 109.96 2i85 s ASN 96 Ca 0.03 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2i85 s ASN 96 Cb 0.08 -2.04 0.04 0.00 0.41 0.00 0.00 41.25 39.74 2i85 s ASN 96 CO 0.58 -0.21 1.28 -0.11 -1.51 0.00 0.00 177.10 177.13 2i85 n LEU 97 N 5.02 3.78 0.03 0.60 -0.00 -1.26 -4.25 117.00 120.92 2i85 n LEU 97 Ca -0.13 -1.85 0.13 0.00 -0.00 0.00 0.00 56.01 54.15 2i85 n LEU 97 Cb 0.49 -0.66 0.53 0.00 -0.00 0.00 0.00 43.42 43.78 2i85 n LEU 97 CO 0.35 0.65 0.91 1.87 -0.00 0.00 0.00 177.39 181.17 2i85 n TRP 98 N 0.61 0.23 0.00 1.96 -0.00 -1.26 -4.86 117.44 114.12 2i85 n TRP 98 Ca 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 2i85 n TRP 98 Cb 0.56 -0.61 0.00 0.00 -0.00 0.00 0.00 31.31 31.26 2i85 n TRP 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2i85 n GLY 99 N 1.22 1.00 0.16 5.87 0.00 -1.26 -5.07 105.19 107.10 2i85 n GLY 99 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 0.73-10.00 0.99 3.38 -1.89 -3.45 115.31 105.07 2i85 h LEU 100 Ca 0.00 -0.66 -0.51 0.00 0.09 0.00 0.00 57.88 56.80 2i85 h LEU 100 Cb 0.00 -0.23 0.06 0.00 0.09 0.00 0.00 40.66 40.58 2i85 h LEU 100 CO 0.00 1.48 0.48 -1.61 0.09 0.00 0.00 178.44 178.88 2i85 s GLU 101 N -3.02 3.76 0.40 1.13 2.02 -1.26 -4.92 118.70 116.80 2i85 s GLU 101 Ca -0.08 1.76 0.08 0.00 0.02 0.00 0.00 54.97 56.75 2i85 s GLU 101 Cb 0.07 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.91 2i85 s GLU 101 CO 0.91 -0.55 0.54 -0.59 0.02 0.00 0.00 175.26 175.59 2i85 s PHE 102 N -1.56 2.87 -0.04 1.61 -0.71 -1.26 -5.12 117.98 113.76 2i85 s PHE 102 Ca 0.64 -0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 2i85 s PHE 102 Cb -0.28 -2.29 0.01 0.00 -1.21 0.00 0.00 43.02 39.25 2i85 s PHE 102 CO 0.34 -0.33 -0.08 -0.65 -1.34 0.00 0.00 175.22 173.16 2i85 s GLN 103 N -4.31 1.10 0.72 1.99 -0.21 -1.26 -5.16 119.66 112.54 2i85 s GLN 103 Ca 0.53 -0.24 -0.10 0.00 0.02 0.00 0.00 55.36 55.57 2i85 s GLN 103 Cb -0.10 -1.00 0.04 0.00 1.00 0.00 0.00 33.01 32.95 2i85 s GLN 103 CO 0.32 0.00 1.07 0.15 -2.12 0.00 0.00 175.29 174.72 2i85 s LYS 104 N 0.64 2.44 -0.95 2.91 1.02 -1.26 -4.04 119.74 120.50 2i85 s LYS 104 Ca -0.10 0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2i85 s LYS 104 Cb -0.13 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2i85 s LYS 104 CO 0.01 -1.20 0.00 -1.71 -0.92 0.00 0.00 175.35 171.53 2i85 n ASN 105 N -3.01 -3.60 -3.64 2.83 5.15 0.12 -4.96 115.26 108.15 2i85 n ASN 105 Ca 0.07 0.23 -0.25 0.00 -0.60 0.00 0.00 54.58 54.02 2i85 n ASN 105 Cb 0.59 -3.08 -0.17 0.00 -0.53 0.00 0.00 39.78 36.59 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 -5.01 0.12 0.56 1.20 1.02 -0.43 -5.01 119.74 112.18 2i85 s LYS 106 Ca 0.00 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.73 2i85 s LYS 106 Cb 0.00 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 2i85 s LYS 106 CO 0.00 -0.61 1.24 0.16 -0.92 0.00 0.00 175.35 175.21 2i85 s ASP 107 N 2.11 5.39 0.00 2.83 -4.77 -1.26 -4.32 116.67 116.65 2i85 s ASP 107 Ca 0.02 2.46 0.04 0.00 -3.30 0.00 0.00 52.55 51.77 2i85 s ASP 107 Cb -0.15 -2.61 -0.01 0.00 -1.09 0.00 0.00 42.92 39.05 2i85 s ASP 107 CO -0.08 -1.46 -0.11 -0.31 0.70 0.00 0.00 175.17 173.91 2i85 s TYR 108 N -1.51 0.98 0.01 2.11 1.51 -1.20 -5.02 117.35 114.23 2i85 s TYR 108 Ca 0.73 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 2i85 s TYR 108 Cb -0.32 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2i85 s TYR 108 CO 0.37 -0.01 -0.04 0.71 -1.11 0.00 0.00 175.55 175.47 2i85 s TYR 109 N -0.43 0.37 0.02 2.71 2.02 -1.26 -1.54 117.35 119.24 2i85 s TYR 109 Ca 0.03 -0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 2i85 s TYR 109 Cb -0.05 -0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2i85 s TYR 109 CO -0.00 -0.05 0.03 0.42 -1.57 0.00 0.00 175.55 174.37 2i85 s ILE 110 N -0.61 0.12 0.19 2.71 1.01 -1.10 -1.32 121.20 122.21 2i85 s ILE 110 Ca -0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.46 2i85 s ILE 110 Cb -0.05 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.86 2i85 s ILE 110 CO -0.00 -0.56 0.42 -0.51 0.00 0.00 0.00 174.94 174.29 2i85 s ILE 111 N -1.98 0.04 0.07 2.92 2.07 -0.37 -0.34 121.20 123.61 2i85 s ILE 111 Ca -0.11 -1.15 -0.00 0.00 -1.41 0.00 0.00 60.65 57.99 2i85 s ILE 111 Cb -0.06 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.69 2i85 s ILE 111 CO -0.02 -0.17 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.36 2i85 s SER 112 N -2.94 0.71 -0.57 4.50 0.01 -0.82 -1.97 113.70 112.63 2i85 s SER 112 Ca 0.15 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.47 2i85 s SER 112 Cb 0.01 0.16 0.20 0.00 0.21 0.00 0.00 66.02 66.60 2i85 s SER 112 CO 0.01 -0.55 0.52 0.35 0.41 0.00 0.00 173.24 173.98 2i85 n THR 113 N 0.09 0.73 0.26 1.44 -2.24 -1.26 -4.25 114.28 109.04 2i85 n THR 113 Ca -0.14 -4.46 0.17 0.00 -2.27 0.00 0.00 64.05 57.36 2i85 n THR 113 Cb 0.61 -2.00 0.90 0.00 -2.10 0.00 0.00 70.33 67.74 2i85 n THR 113 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2i85 h SER 114 N 4.94 0.00 0.38 3.42 0.02 -1.92 0.02 113.55 120.40 2i85 h SER 114 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2i85 h SER 114 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2i85 h SER 114 CO 0.62 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.90 2i85 n ASN 115 N -2.68 0.00 -1.51 3.07 3.02 -1.26 -3.90 115.26 112.00 2i85 n ASN 115 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2i85 n ASN 115 Cb 0.07 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2i85 n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i85 n GLY 116 N 0.51 1.30 3.51 7.41 0.00 -0.01 -4.65 105.19 113.27 2i85 n GLY 116 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 1.43 -1.21 0.18 1.61 7.64 -1.25 -4.15 113.62 117.86 2i85 n SER 117 Ca 0.00 0.01 0.18 0.00 1.01 0.00 0.00 58.87 60.07 2i85 n SER 117 Cb 0.24 -1.30 0.81 0.00 -1.01 0.00 0.00 64.21 62.95 2i85 n SER 117 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2i85 h LEU 118 N -2.42 0.00 -2.06 -3.43 -0.00 -1.97 0.63 115.31 106.06 2i85 h LEU 118 Ca -0.56 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.39 2i85 h LEU 118 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2i85 h LEU 118 CO 0.46 0.00 0.18 -0.33 -0.00 0.00 0.00 178.44 178.75 2i85 h GLU 119 N 0.00 0.00 0.00 1.13 4.39 -1.91 -3.37 114.58 114.81 2i85 h GLU 119 Ca 0.12 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 2i85 h GLU 119 Cb 0.73 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.26 2i85 h GLU 119 CO -0.00 0.00 -0.17 0.41 -1.16 0.00 0.00 179.01 178.09 2i85 n GLY 120 N -1.55 0.81 0.22 -3.84 0.00 -0.09 -5.01 105.19 95.74 2i85 n GLY 120 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 1.23 0.31 -0.21 0.99 8.10 -1.13 -0.77 115.31 123.83 2i85 h LEU 121 Ca -0.35 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.54 2i85 h LEU 121 Cb 1.24 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2i85 h LEU 121 CO -0.13 0.58 0.00 0.47 -4.11 0.00 0.00 178.44 175.25 2i85 n ASP 122 N -4.14 0.52 -4.32 0.17 8.00 -1.26 -4.52 116.55 111.00 2i85 n ASP 122 Ca -0.01 0.58 -0.43 0.00 0.71 0.00 0.00 54.79 55.64 2i85 n ASP 122 Cb 0.38 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2i85 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2i85 n ASN 123 N -2.02 4.73 -0.61 -2.24 2.85 -0.30 -4.82 115.26 112.86 2i85 n ASN 123 Ca 0.05 -2.92 0.00 0.00 -0.11 0.00 0.00 54.58 51.60 2i85 n ASN 123 Cb 0.32 -1.69 0.00 0.00 1.24 0.00 0.00 39.78 39.65 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i85 n GLN 124 N 7.25 0.42 -4.06 1.20 10.64 -1.26 -4.70 117.38 126.86 2i85 n GLN 124 Ca 0.48 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.52 2i85 n GLN 124 Cb 0.43 -1.23 -0.12 0.00 -0.86 0.00 0.00 30.24 28.46 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 -0.66 0.44 -1.56 2.61 2.02 -1.25 -0.71 118.70 119.58 2i85 s GLU 125 Ca 0.00 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 2i85 s GLU 125 Cb 0.00 -0.25 0.01 0.00 0.10 0.00 0.00 34.13 33.99 2i85 s GLU 125 CO 0.00 0.05 0.54 0.41 0.02 0.00 0.00 175.26 176.28 2i85 n GLY 126 N 1.96 -0.52 3.23 -1.39 0.00 -0.71 -4.97 105.19 102.79 2i85 n GLY 126 Ca -0.20 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.45 -3.41 0.08 -0.02 0.00 -1.17 -4.92 105.19 94.30 2i85 n GLY 127 Ca -0.12 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.52 2i85 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i85 n VAL 128 N -5.49 0.90 0.31 1.61 0.24 -1.26 -3.22 118.33 111.42 2i85 n VAL 128 Ca 0.10 0.24 0.17 0.00 -2.04 0.00 0.00 64.34 62.82 2i85 n VAL 128 Cb 0.56 -1.10 0.90 0.00 -1.47 0.00 0.00 33.84 32.72 2i85 n VAL 128 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i85 h GLN 130 N 0.00 0.00 0.00 0.00 4.15 -1.83 -3.22 115.11 114.20 2i85 h GLN 130 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2i85 h GLN 130 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2i85 h GLN 130 CO -0.00 0.10 0.00 2.41 -1.93 0.00 0.00 178.83 179.41 2i85 n THR 131 N -3.88 0.00 -0.09 2.39 -1.04 -0.41 -4.85 114.28 106.41 2i85 n THR 131 Ca -0.02 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.08 2i85 n THR 131 Cb 0.19 -0.47 0.46 0.00 -1.82 0.00 0.00 70.33 68.69 2i85 n THR 131 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2i85 h ARG 132 N 0.00 0.49 -5.86 -2.82 2.47 -1.19 -3.48 114.38 104.00 2i85 h ARG 132 Ca 0.00 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 2i85 h ARG 132 Cb 0.00 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 2i85 h ARG 132 CO 0.00 0.32 -0.48 0.00 0.56 0.00 0.00 179.97 180.37 2i85 n ALA 133 N -2.50 -2.64 -3.29 0.04 0.00 -1.06 -4.83 120.51 106.23 2i85 n ALA 133 Ca 0.09 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2i85 n ALA 133 Cb 0.29 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.72 3.64 -4.50 0.00 0.00 -1.26 -2.68 117.12 110.60 2i85 n MET 134 Ca -0.09 -4.50 -0.24 0.00 0.00 0.00 0.00 57.70 52.87 2i85 n MET 134 Cb 0.57 -2.51 -0.11 0.00 0.00 0.00 0.00 33.22 31.18 2i85 n MET 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2i85 s LYS 135 N -1.80 1.73 0.12 2.12 0.00 -0.52 -1.93 119.74 119.46 2i85 s LYS 135 Ca 0.31 -1.94 0.10 0.00 0.00 0.00 0.00 55.97 54.45 2i85 s LYS 135 Cb -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 37.83 36.47 2i85 s LYS 135 CO -0.03 -0.04 -0.26 0.96 0.00 0.00 0.00 175.35 175.98 2i85 s ILE 136 N -2.96 2.14 -0.08 3.79 -5.25 0.54 -1.28 121.20 118.11 2i85 s ILE 136 Ca 0.34 -1.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.30 2i85 s ILE 136 Cb 0.07 -1.91 0.01 0.00 2.95 0.00 0.00 42.46 43.59 2i85 s ILE 136 CO 0.15 0.06 -0.13 -0.22 -1.79 0.00 0.00 174.94 173.01 2i85 s LEU 137 N -2.03 1.65 -0.15 0.37 2.96 -1.04 -2.72 118.68 117.74 2i85 s LEU 137 Ca 0.12 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2i85 s LEU 137 Cb -0.10 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.68 2i85 s LEU 137 CO 0.06 0.03 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.59 2i85 s MET 138 N 0.78 3.06 0.80 1.98 -2.45 -0.59 -1.34 119.30 121.54 2i85 s MET 138 Ca -0.12 -0.83 -0.14 0.00 -1.25 0.00 0.00 55.69 53.35 2i85 s MET 138 Cb -0.16 -2.50 0.06 0.00 1.25 0.00 0.00 34.83 33.48 2i85 s MET 138 CO 0.02 -0.04 1.04 1.17 1.05 0.00 0.00 175.02 178.27 2i85 n LYS 139 N 4.15 0.20 0.25 4.11 4.81 -1.24 -3.27 118.16 127.17 2i85 n LYS 139 Ca -0.20 0.14 0.15 0.00 -0.87 0.00 0.00 58.31 57.53 2i85 n LYS 139 Cb 0.51 -2.30 0.86 0.00 0.02 0.00 0.00 35.03 34.12 2i85 n LYS 139 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2i85 h VAL 140 N -0.81 0.55 0.00 3.15 -1.51 -1.96 -3.42 116.25 112.25 2i85 h VAL 140 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2i85 h VAL 140 Cb 1.31 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2i85 h VAL 140 CO 0.45 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 2i85 n GLY 141 N -1.38 1.37 2.44 5.19 0.00 -1.26 -0.70 105.19 110.85 2i85 n GLY 141 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26