#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 3.72 0.00 -1.46 2.47 -1.26 -4.74 119.74 118.46 2i85 s LYS 2 Ca 0.00 -0.49 0.00 0.00 -1.56 0.00 0.00 55.97 53.92 2i85 s LYS 2 Cb 0.00 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 2i85 s LYS 2 CO 0.00 0.22 0.00 0.43 0.16 0.00 0.00 175.35 176.16 2i85 n SER 3 N 3.63 0.00 0.09 1.43 7.64 -1.23 -5.05 113.62 120.13 2i85 n SER 3 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2i85 n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2i85 n SER 3 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2i85 n ILE 4 N -1.47 0.00 -2.73 0.44 -0.00 -1.26 -5.03 119.36 109.31 2i85 n ILE 4 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.73 2i85 n ILE 4 Cb 0.00 -0.43 -0.02 0.00 -0.00 0.00 0.00 39.64 39.19 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 -3.04-11.37 -0.88 7.28 0.31 -1.26 -5.00 118.33 104.36 2i85 n VAL 5 Ca 0.00 2.02 -0.31 0.00 -0.01 0.00 0.00 64.34 66.05 2i85 n VAL 5 Cb 0.00 -6.43 0.15 0.00 -0.91 0.00 0.00 33.84 26.65 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 -1.23 2.63 0.26 7.52 2.01 -0.71 -4.94 118.68 124.21 2i85 s LEU 6 Ca -0.09 1.95 -0.29 0.00 0.01 0.00 0.00 54.13 55.71 2i85 s LEU 6 Cb 0.01 -4.37 -0.09 0.00 0.01 0.00 0.00 46.19 41.74 2i85 s LEU 6 CO 0.72 -2.89 1.26 -1.61 1.01 0.00 0.00 176.35 174.83 2i85 s GLU 7 N -4.73 4.44 0.08 1.70 2.02 -1.26 -4.73 118.70 116.23 2i85 s GLU 7 Ca 0.65 2.04 -0.31 0.00 0.02 0.00 0.00 54.97 57.38 2i85 s GLU 7 Cb -0.21 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 2i85 s GLU 7 CO 0.58 -0.12 1.32 -1.25 0.02 0.00 0.00 175.26 175.81 2i85 s PRO 8 N -0.99 4.36 -0.28 0.39 0.04 -1.26 -4.54 135.00 132.71 2i85 s PRO 8 Ca 0.51 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 2i85 s PRO 8 Cb -0.36 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.87 2i85 s PRO 8 CO 0.44 -0.38 1.18 0.42 0.04 0.00 0.00 177.00 178.70 2i85 s ILE 9 N 1.19 4.36 -0.63 0.56 -1.09 0.24 -4.90 121.20 120.92 2i85 s ILE 9 Ca 0.62 1.57 0.04 0.00 -2.23 0.00 0.00 60.65 60.65 2i85 s ILE 9 Cb -0.34 -4.26 0.36 0.00 -1.58 0.00 0.00 42.46 36.64 2i85 s ILE 9 CO 0.29 -0.41 1.20 0.00 -1.23 0.00 0.00 174.94 174.79 2i85 n TYR 10 N 7.06 3.64 0.00 3.97 4.19 -1.26 -2.11 117.16 132.65 2i85 n TYR 10 Ca 0.13 -3.46 0.00 0.00 3.31 0.00 0.00 57.90 57.88 2i85 n TYR 10 Cb 0.46 -0.55 0.00 0.00 0.49 0.00 0.00 39.34 39.75 2i85 n TYR 10 CO 0.00 0.00 0.00 1.87 0.91 0.00 0.00 176.86 179.64 2i85 n TRP 11 N -0.29 0.00 -2.26 2.98 -0.00 -0.67 -4.71 117.44 112.49 2i85 n TRP 11 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 2i85 n TRP 11 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 2i85 n TRP 11 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2i85 n ASN 12 N 1.02 0.00 0.00 5.87 0.23 -1.26 -4.73 115.26 116.39 2i85 n ASN 12 Ca 0.00 -0.91 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 2i85 n ASN 12 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2i85 n ASN 12 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2i85 n SER 13 N -2.74 0.00 -0.46 0.53 2.88 -1.26 -4.86 113.62 107.71 2i85 n SER 13 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2i85 n SER 13 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2i85 n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i85 n SER 14 N 0.90 -3.60 -4.84 -3.46 7.64 -1.26 -4.84 113.62 104.17 2i85 n SER 14 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2i85 n SER 14 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -4.00 4.49 0.25 6.43 3.84 -1.26 -4.69 114.94 120.00 2i85 s ASN 15 Ca 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 52.86 53.62 2i85 s ASN 15 Cb 0.00 -1.09 0.39 0.00 -0.55 0.00 0.00 41.25 40.00 2i85 s ASN 15 CO 0.00 -1.87 1.83 -1.28 -2.79 0.00 0.00 177.10 172.99 2i85 h SER 16 N -0.93 0.75 -0.23 -4.21 0.87 -1.91 -2.84 113.55 105.04 2i85 h SER 16 Ca -0.45 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.01 2i85 h SER 16 Cb 1.31 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2i85 h SER 16 CO 0.61 0.44 -0.36 0.11 -0.53 0.00 0.00 176.83 177.10 2i85 h LYS 17 N 0.87 0.76 -6.95 2.24 1.79 -1.94 -3.48 116.57 109.85 2i85 h LYS 17 Ca 0.40 -0.37 -0.54 0.00 -2.18 0.00 0.00 60.65 57.96 2i85 h LYS 17 Cb 0.31 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.87 2i85 h LYS 17 CO -0.22 1.00 -0.88 0.34 -1.08 0.00 0.00 179.45 178.61 2i85 n PHE 18 N -4.06 -1.15 -3.29 -1.35 7.35 -1.08 -2.51 117.46 111.37 2i85 n PHE 18 Ca -0.01 0.25 -0.13 0.00 -0.76 0.00 0.00 57.45 56.80 2i85 n PHE 18 Cb 0.51 -2.43 0.01 0.00 0.35 0.00 0.00 39.48 37.92 2i85 n PHE 18 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2i85 n LEU 19 N -4.41 -5.11 0.22 -2.13 0.00 -1.06 -4.91 117.00 99.60 2i85 n LEU 19 Ca -0.18 -0.24 0.11 0.00 0.00 0.00 0.00 56.01 55.70 2i85 n LEU 19 Cb 0.54 -2.66 0.39 0.00 0.00 0.00 0.00 43.42 41.69 2i85 n LEU 19 CO 0.69 -0.77 0.80 1.55 0.00 0.00 0.00 177.39 179.67 2i85 h PRO 20 N 0.66 0.00 0.00 1.96 0.13 -1.66 -3.45 132.00 129.64 2i85 h PRO 20 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2i85 h PRO 20 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2i85 h PRO 20 CO 0.30 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 2i85 n GLY 21 N 0.48 0.00 0.44 1.56 0.00 -1.26 -5.01 105.19 101.40 2i85 n GLY 21 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.28 0.00 1.61 6.02 -1.26 -4.78 117.38 119.25 2i85 n GLN 22 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2i85 n GLN 22 Cb 0.00 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 2.42 -0.25 2.88 1.08 0.00 -1.21 -1.97 105.19 108.14 2i85 n GLY 23 Ca -0.24 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 1.28 -0.21 0.99 2.96 -0.94 -2.58 118.68 120.19 2i85 s LEU 24 Ca 0.00 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2i85 s LEU 24 Cb 0.00 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 2i85 s LEU 24 CO 0.00 -0.07 0.07 -0.69 -1.32 0.00 0.00 176.35 174.35 2i85 s VAL 25 N 0.98 4.69 -0.01 1.68 1.01 -1.26 -2.28 120.40 125.22 2i85 s VAL 25 Ca -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2i85 s VAL 25 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2i85 s VAL 25 CO -0.00 0.41 0.21 -0.76 0.00 0.00 0.00 175.10 174.96 2i85 s LEU 26 N 0.80 4.37 0.13 3.92 2.01 -0.76 -5.00 118.68 124.14 2i85 s LEU 26 Ca 0.04 0.41 -0.31 0.00 0.01 0.00 0.00 54.13 54.28 2i85 s LEU 26 Cb -0.13 -2.63 -0.07 0.00 0.01 0.00 0.00 46.19 43.37 2i85 s LEU 26 CO 0.02 0.26 1.28 -0.31 1.01 0.00 0.00 176.35 178.61 2i85 s TYR 27 N -1.32 3.35 -2.00 0.29 2.02 -1.26 -4.60 117.35 113.84 2i85 s TYR 27 Ca 0.27 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 2i85 s TYR 27 Cb -0.13 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 37.90 2i85 s TYR 27 CO 0.18 -1.70 0.87 -0.35 -1.57 0.00 0.00 175.55 172.97 2i85 n PRO 28 N 3.40 0.87 -4.06 -1.71 -0.04 -1.26 -4.73 135.00 127.47 2i85 n PRO 28 Ca 0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 2i85 n PRO 28 Cb 0.44 -1.00 -0.15 0.00 -0.04 0.00 0.00 33.50 32.75 2i85 n PRO 28 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2i85 s GLN 29 N -2.00 2.46 -0.54 0.54 -2.07 -1.26 -4.72 119.66 112.06 2i85 s GLN 29 Ca 0.00 -1.21 -0.26 0.00 -1.82 0.00 0.00 55.36 52.07 2i85 s GLN 29 Cb 0.00 -2.84 -0.08 0.00 -1.09 0.00 0.00 33.01 29.00 2i85 s GLN 29 CO 0.00 -0.48 2.39 0.42 -1.32 0.00 0.00 175.29 176.30 2i85 s ILE 30 N 1.17 3.02 0.00 3.63 -1.09 -1.26 -3.32 121.20 123.35 2i85 s ILE 30 Ca -0.05 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 2i85 s ILE 30 Cb -0.18 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2i85 s ILE 30 CO -0.07 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 2i85 n GLY 31 N 6.13 0.00 3.77 6.18 0.00 -1.26 -5.03 105.19 114.97 2i85 n GLY 31 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 3.05 -0.10 1.61 -4.77 -1.21 -3.47 116.67 111.78 2i85 s ASP 32 Ca 0.00 0.86 -0.30 0.00 -3.30 0.00 0.00 52.55 49.80 2i85 s ASP 32 Cb 0.00 -1.34 0.09 0.00 -1.09 0.00 0.00 42.92 40.59 2i85 s ASP 32 CO 0.00 -2.83 0.81 -1.59 0.70 0.00 0.00 175.17 172.26 2i85 s LYS 33 N -5.34 0.87 -0.09 2.11 -2.85 -1.26 -0.85 119.74 112.33 2i85 s LYS 33 Ca 0.66 0.23 -0.06 0.00 -1.00 0.00 0.00 55.97 55.80 2i85 s LYS 33 Cb -0.13 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2i85 s LYS 33 CO 0.54 -0.27 0.22 -0.51 0.10 0.00 0.00 175.35 175.43 2i85 s LEU 34 N -1.11 0.78 -0.21 2.77 1.02 -0.02 -1.74 118.68 120.17 2i85 s LEU 34 Ca -0.07 0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.55 2i85 s LEU 34 Cb -0.00 0.69 0.03 0.00 0.02 0.00 0.00 46.19 46.93 2i85 s LEU 34 CO 0.06 -0.12 -0.17 -1.81 0.02 0.00 0.00 176.35 174.33 2i85 s ASP 35 N 0.75 3.56 -0.25 2.29 1.11 -1.26 -1.58 116.67 121.29 2i85 s ASP 35 Ca -0.05 -0.89 -0.07 0.00 0.18 0.00 0.00 52.55 51.72 2i85 s ASP 35 Cb -0.07 -1.50 -0.02 0.00 1.07 0.00 0.00 42.92 42.41 2i85 s ASP 35 CO -0.04 -0.06 0.05 -0.51 1.18 0.00 0.00 175.17 175.78 2i85 s ILE 36 N 1.23 4.13 -0.06 0.77 2.07 -0.11 -0.59 121.20 128.64 2i85 s ILE 36 Ca 0.00 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 2i85 s ILE 36 Cb -0.15 -2.94 0.02 0.00 0.13 0.00 0.00 42.46 39.52 2i85 s ILE 36 CO -0.10 0.34 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.56 2i85 s ILE 37 N 1.59 0.81 -0.02 2.00 1.01 -0.90 -0.83 121.20 124.86 2i85 s ILE 37 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 2i85 s ILE 37 Cb -0.15 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.56 2i85 s ILE 37 CO 0.02 0.29 0.03 0.00 0.00 0.00 0.00 174.94 175.28 2i85 n PRO 39 N 4.22 -2.24 -2.64 0.00 -0.04 -1.26 -1.08 135.00 131.96 2i85 n PRO 39 Ca -0.27 -1.81 -0.22 0.00 -0.04 0.00 0.00 63.50 61.15 2i85 n PRO 39 Cb 0.50 -1.46 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -5.57 2.06 -0.92 0.54 0.00 -1.26 -4.78 119.74 109.81 2i85 s LYS 40 Ca 0.70 -1.02 -0.03 0.00 0.00 0.00 0.00 55.97 55.62 2i85 s LYS 40 Cb -0.05 -2.41 0.23 0.00 0.00 0.00 0.00 37.83 35.60 2i85 s LYS 40 CO 0.52 -1.12 0.83 0.08 0.00 0.00 0.00 175.35 175.65 2i85 s VAL 41 N -2.96 4.61 0.00 1.79 1.01 -1.26 -4.70 120.40 118.90 2i85 s VAL 41 Ca 0.62 -3.78 0.00 0.00 0.00 0.00 0.00 61.98 58.82 2i85 s VAL 41 Cb -0.07 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2i85 s VAL 41 CO 0.42 -1.10 0.00 0.47 0.00 0.00 0.00 175.10 174.89 2i85 n ASP 42 N 2.41 0.00 0.27 3.32 8.00 -1.26 -4.65 116.55 124.64 2i85 n ASP 42 Ca 0.22 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.82 2i85 n ASP 42 Cb 0.37 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 42.21 2i85 n ASP 42 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2i85 h SER 43 N 0.00 0.00 -0.01 -2.24 0.02 -1.93 0.20 113.55 109.58 2i85 h SER 43 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2i85 h SER 43 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2i85 h SER 43 CO 0.00 0.02 -0.08 0.11 -1.14 0.00 0.00 176.83 175.75 2i85 h LYS 44 N 0.00 0.08 -0.24 3.45 1.79 -1.94 -3.44 116.57 116.26 2i85 h LYS 44 Ca -0.00 -0.06 -0.24 0.00 -2.18 0.00 0.00 60.65 58.17 2i85 h LYS 44 Cb 0.05 0.01 -0.23 0.00 -1.58 0.00 0.00 32.23 30.48 2i85 h LYS 44 CO 0.00 0.74 -0.59 0.25 -1.08 0.00 0.00 179.45 178.78 2i85 n THR 45 N -4.68 0.35 -0.58 -0.16 -2.24 -1.02 -5.01 114.28 100.93 2i85 n THR 45 Ca -0.09 -1.84 0.46 0.00 -2.27 0.00 0.00 64.05 60.31 2i85 n THR 45 Cb 0.38 0.98 0.74 0.00 -2.10 0.00 0.00 70.33 70.33 2i85 n THR 45 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2i85 n VAL 46 N -0.76 -0.13 -2.74 2.28 3.14 0.03 -1.05 118.33 119.09 2i85 n VAL 46 Ca -0.04 1.64 -0.03 0.00 -2.96 0.00 0.00 64.34 62.95 2i85 n VAL 46 Cb 0.85 -2.71 0.08 0.00 -1.06 0.00 0.00 33.84 30.99 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 -1.70 1.74 0.00 7.55 0.00 -1.26 -4.81 105.19 106.71 2i85 n GLY 47 Ca 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.75 -0.28 -4.07 1.61 1.13 -0.21 -5.10 117.38 109.70 2i85 n GLN 48 Ca -0.01 -0.24 -0.15 0.00 -1.94 0.00 0.00 57.00 54.67 2i85 n GLN 48 Cb 0.83 -0.69 -0.03 0.00 0.11 0.00 0.00 30.24 30.46 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 -0.03 1.04 0.22 1.08 5.04 -1.21 -5.03 117.35 118.47 2i85 s TYR 49 Ca 0.00 -1.30 -0.02 0.00 -2.44 0.00 0.00 57.07 53.31 2i85 s TYR 49 Cb 0.00 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.26 2i85 s TYR 49 CO 0.00 -1.19 0.20 -1.21 -1.34 0.00 0.00 175.55 172.01 2i85 s GLU 50 N -2.90 1.31 0.34 4.97 8.01 -1.26 -5.00 118.70 124.17 2i85 s GLU 50 Ca 0.30 -1.60 0.02 0.00 0.01 0.00 0.00 54.97 53.70 2i85 s GLU 50 Cb -0.01 0.31 -0.02 0.00 -4.31 0.00 0.00 34.13 30.10 2i85 s GLU 50 CO 0.21 -0.46 0.51 1.52 0.01 0.00 0.00 175.26 177.05 2i85 s TYR 51 N -4.06 3.40 0.26 1.61 -0.85 -1.26 -4.97 117.35 111.47 2i85 s TYR 51 Ca 0.36 0.18 -0.10 0.00 -0.52 0.00 0.00 57.07 56.99 2i85 s TYR 51 Cb 0.05 -1.89 -0.01 0.00 0.38 0.00 0.00 41.96 40.49 2i85 s TYR 51 CO 0.13 0.11 0.44 1.52 -1.52 0.00 0.00 175.55 176.22 2i85 s TYR 52 N -2.26 0.55 -0.20 -3.49 -0.85 -1.10 -4.88 117.35 105.13 2i85 s TYR 52 Ca 0.40 -0.89 -0.17 0.00 -0.52 0.00 0.00 57.07 55.90 2i85 s TYR 52 Cb -0.09 0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.37 2i85 s TYR 52 CO 0.34 -0.97 0.52 -1.59 -1.52 0.00 0.00 175.55 172.33 2i85 s LYS 53 N -3.89 0.59 -0.10 -3.49 0.00 -1.26 -2.03 119.74 109.57 2i85 s LYS 53 Ca 0.26 0.77 0.03 0.00 0.00 0.00 0.00 55.97 57.03 2i85 s LYS 53 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 37.83 38.07 2i85 s LYS 53 CO 0.11 -0.09 -0.22 0.08 0.00 0.00 0.00 175.35 175.23 2i85 s VAL 54 N 0.52 2.30 -0.01 1.79 1.01 -0.95 -3.93 120.40 121.13 2i85 s VAL 54 Ca -0.02 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2i85 s VAL 54 Cb -0.04 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2i85 s VAL 54 CO -0.02 0.56 -0.03 -0.47 0.00 0.00 0.00 175.10 175.13 2i85 s TYR 55 N 0.22 0.28 -0.16 5.22 5.04 -0.36 -1.27 117.35 126.31 2i85 s TYR 55 Ca -0.14 -0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.16 2i85 s TYR 55 Cb -0.17 -0.21 -0.05 0.00 0.35 0.00 0.00 41.96 41.88 2i85 s TYR 55 CO 0.07 -0.02 2.02 0.00 -1.34 0.00 0.00 175.55 176.28 2i85 s MET 56 N 0.08 3.53 -0.02 4.97 0.23 -1.26 -0.70 119.30 126.13 2i85 s MET 56 Ca -0.00 2.07 -0.05 0.00 -1.03 0.00 0.00 55.69 56.68 2i85 s MET 56 Cb -0.03 -4.25 0.00 0.00 -1.53 0.00 0.00 34.83 29.03 2i85 s MET 56 CO -0.00 -1.64 0.11 0.08 -2.03 0.00 0.00 175.02 171.53 2i85 s VAL 57 N 6.65 0.05 0.30 5.16 1.01 -0.43 -4.91 120.40 128.23 2i85 s VAL 57 Ca 0.91 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 2i85 s VAL 57 Cb -0.33 -0.30 -0.14 0.00 0.00 0.00 0.00 36.38 35.61 2i85 s VAL 57 CO 0.36 -0.23 0.93 0.47 0.00 0.00 0.00 175.10 176.62 2i85 n ASP 58 N 2.16 0.88 -0.30 3.32 9.92 -1.26 -3.55 116.55 127.73 2i85 n ASP 58 Ca -0.18 1.14 0.12 0.00 -0.53 0.00 0.00 54.79 55.33 2i85 n ASP 58 Cb 0.57 -1.25 0.35 0.00 -0.64 0.00 0.00 41.12 40.15 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 1.76 0.72 -0.77 -1.24 3.64 -1.96 0.15 116.57 118.87 2i85 h LYS 59 Ca -0.39 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 2i85 h LYS 59 Cb 1.35 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2i85 h LYS 59 CO 0.59 0.48 0.28 0.22 -2.27 0.00 0.00 179.45 178.75 2i85 h ASP 60 N 0.75 1.08 0.56 4.20 3.58 -2.00 -1.68 116.42 122.90 2i85 h ASP 60 Ca 0.48 -0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.60 2i85 h ASP 60 Cb 0.73 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2i85 h ASP 60 CO -0.24 0.97 -0.68 1.56 -2.88 0.00 0.00 179.24 177.97 2i85 h GLN 61 N 1.12 0.11 -0.63 0.28 1.08 -1.59 -3.03 115.11 112.45 2i85 h GLN 61 Ca 0.25 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2i85 h GLN 61 Cb 0.25 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 2i85 h GLN 61 CO -0.02 0.74 0.40 0.00 -0.95 0.00 0.00 178.83 179.01 2i85 h ALA 62 N 1.23 1.52 0.00 3.87 0.00 -0.43 0.32 119.26 125.78 2i85 h ALA 62 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2i85 h ALA 62 Cb 1.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2i85 h ALA 62 CO 0.10 0.44 -0.03 0.22 0.00 0.00 0.00 179.25 179.97 2i85 h ASP 63 N 0.86 0.00 0.09 0.00 3.58 -1.18 -1.60 116.42 118.17 2i85 h ASP 63 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2i85 h ASP 63 Cb -0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2i85 h ASP 63 CO -0.05 0.03 -1.28 0.54 -2.88 0.00 0.00 179.24 175.61 2i85 n ARG 64 N -4.00 0.24 -3.37 0.28 5.12 -0.91 -4.80 116.66 109.21 2i85 n ARG 64 Ca -0.03 -0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 55.65 2i85 n ARG 64 Cb 0.12 -1.52 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 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 -3.42 1.68 0.29 0.00 -4.23 -1.09 -2.07 115.64 106.81 2i85 s THR 66 Ca 0.34 -0.79 0.11 0.00 -1.18 0.00 0.00 61.69 60.17 2i85 s THR 66 Cb -0.06 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2i85 s THR 66 CO 0.76 0.48 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.57 2i85 s ILE 67 N 0.59 2.71 -0.20 2.99 -1.09 0.28 -4.73 121.20 121.75 2i85 s ILE 67 Ca -0.15 -2.22 0.01 0.00 -2.23 0.00 0.00 60.65 56.06 2i85 s ILE 67 Cb -0.17 -2.52 0.04 0.00 -1.58 0.00 0.00 42.46 38.23 2i85 s ILE 67 CO 0.05 -0.36 -0.15 -0.54 -1.23 0.00 0.00 174.94 172.71 2i85 s LYS 68 N -3.58 2.54 0.64 2.79 -0.14 -1.26 -4.83 119.74 115.90 2i85 s LYS 68 Ca 0.31 -0.95 0.32 0.00 -1.36 0.00 0.00 55.97 54.29 2i85 s LYS 68 Cb -0.04 -2.59 1.77 0.00 -1.68 0.00 0.00 37.83 35.29 2i85 s LYS 68 CO 0.17 -0.35 2.04 1.57 -0.76 0.00 0.00 175.35 178.02 2i85 h LYS 69 N 7.91 0.00 0.00 1.68 2.10 -1.98 -1.13 116.57 125.16 2i85 h LYS 69 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2i85 h LYS 69 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2i85 h LYS 69 CO 0.55 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.39 2i85 n GLU 70 N -3.22 0.16 -4.69 0.07 1.02 -1.26 -4.76 120.64 107.96 2i85 n GLU 70 Ca -0.00 0.48 -0.31 0.00 -0.02 0.00 0.00 57.16 57.31 2i85 n GLU 70 Cb 0.34 -1.86 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 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 -4.07 3.88 -0.01 1.62 0.01 -0.43 -5.17 114.94 110.78 2i85 s ASN 71 Ca 0.02 -1.57 0.04 0.00 -0.71 0.00 0.00 52.86 50.64 2i85 s ASN 71 Cb 0.08 0.25 -0.01 0.00 0.41 0.00 0.00 41.25 41.98 2i85 s ASN 71 CO 0.31 -0.74 -0.12 0.42 -1.51 0.00 0.00 177.10 175.47 2i85 s THR 72 N -2.88 0.93 0.13 1.60 -4.23 -1.26 -4.89 115.64 105.03 2i85 s THR 72 Ca 0.16 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 2i85 s THR 72 Cb 0.04 -0.78 -0.09 0.00 1.34 0.00 0.00 72.50 73.02 2i85 s THR 72 CO 0.08 0.26 1.46 -2.16 -0.54 0.00 0.00 174.62 173.73 2i85 s PRO 73 N -0.23 4.28 0.58 3.99 0.04 -1.26 -4.82 135.00 137.58 2i85 s PRO 73 Ca 0.04 2.17 0.28 0.00 0.04 0.00 0.00 61.00 63.53 2i85 s PRO 73 Cb -0.05 -3.24 1.76 0.00 0.04 0.00 0.00 34.50 33.01 2i85 s PRO 73 CO -0.00 -0.51 2.24 1.37 0.04 0.00 0.00 177.00 180.14 2i85 h LEU 74 N 6.92 0.00 -8.19 -3.56 -0.00 -1.57 -3.40 115.31 105.51 2i85 h LEU 74 Ca -0.42 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 56.79 2i85 h LEU 74 Cb 1.21 0.00 -0.32 0.00 -0.00 0.00 0.00 40.66 41.55 2i85 h LEU 74 CO 0.88 0.00 -0.77 -0.22 -0.00 0.00 0.00 178.44 178.34 2i85 s LEU 75 N -7.83 2.88 -0.83 0.17 1.98 -1.08 -5.01 118.68 108.96 2i85 s LEU 75 Ca -0.05 -0.71 0.02 0.00 -2.89 0.00 0.00 54.13 50.50 2i85 s LEU 75 Cb 0.15 -1.64 0.33 0.00 0.66 0.00 0.00 46.19 45.69 2i85 s LEU 75 CO 0.56 -0.07 1.40 0.59 -1.89 0.00 0.00 176.35 176.94 2i85 n ASN 76 N 4.69 5.97 -1.40 3.68 3.02 -1.26 -2.25 115.26 127.70 2i85 n ASN 76 Ca -0.18 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.70 2i85 n ASN 76 Cb 0.49 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i85 s ALA 78 N 0.83 -0.07 0.03 0.00 0.00 -1.24 -2.70 121.76 118.60 2i85 s ALA 78 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 2i85 s ALA 78 Cb 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.75 2i85 s ALA 78 CO 0.00 -1.47 0.87 0.15 0.00 0.00 0.00 175.76 175.31 2i85 s LYS 79 N 2.27 0.91 -0.09 0.00 1.02 -1.26 -5.07 119.74 117.52 2i85 s LYS 79 Ca 0.08 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 2i85 s LYS 79 Cb -0.15 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2i85 s LYS 79 CO -0.24 -0.40 0.20 -1.00 -0.92 0.00 0.00 175.35 172.98 2i85 h PRO 80 N 2.00 -0.08 -0.60 -1.68 0.13 -2.00 -3.37 132.00 126.40 2i85 h PRO 80 Ca -0.23 0.01 -0.41 0.00 -0.87 0.00 0.00 66.00 64.49 2i85 h PRO 80 Cb 1.25 0.02 -0.41 0.00 0.13 0.00 0.00 31.00 31.98 2i85 h PRO 80 CO 0.31 0.06 -0.94 -0.40 -0.23 0.00 0.00 178.00 176.79 2i85 n ASP 81 N -4.82 3.46 -3.72 1.44 5.68 -1.26 -4.56 116.55 112.77 2i85 n ASP 81 Ca -0.02 -3.02 -0.21 0.00 -0.50 0.00 0.00 54.79 51.04 2i85 n ASP 81 Cb 0.09 -0.40 -0.18 0.00 -1.14 0.00 0.00 41.12 39.49 2i85 n ASP 81 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2i85 s GLN 82 N -3.65 0.23 0.52 0.11 0.74 -1.26 -5.11 119.66 111.23 2i85 s GLN 82 Ca 0.41 0.26 -0.20 0.00 0.05 0.00 0.00 55.36 55.88 2i85 s GLN 82 Cb 0.37 -0.72 -0.07 0.00 1.10 0.00 0.00 33.01 33.70 2i85 s GLN 82 CO 0.00 -0.32 1.08 0.16 -0.55 0.00 0.00 175.29 175.67 2i85 s ASP 83 N 2.08 6.02 -0.08 6.67 -4.77 -1.26 -4.28 116.67 121.05 2i85 s ASP 83 Ca 0.05 2.04 0.00 0.00 -3.30 0.00 0.00 52.55 51.34 2i85 s ASP 83 Cb -0.12 -2.57 -0.03 0.00 -1.09 0.00 0.00 42.92 39.11 2i85 s ASP 83 CO -0.04 -1.01 -0.08 -0.51 0.70 0.00 0.00 175.17 174.24 2i85 s ILE 84 N -1.91 3.63 -0.13 2.11 1.10 -0.24 -5.00 121.20 120.76 2i85 s ILE 84 Ca 0.70 -0.50 -0.14 0.00 -0.51 0.00 0.00 60.65 60.20 2i85 s ILE 84 Cb -0.20 -2.49 0.04 0.00 0.15 0.00 0.00 42.46 39.95 2i85 s ILE 84 CO 0.24 0.58 0.39 -1.59 -2.11 0.00 0.00 174.94 172.45 2i85 s LYS 85 N -0.60 0.50 -0.09 3.50 -2.85 -1.26 -1.13 119.74 117.82 2i85 s LYS 85 Ca 0.09 0.44 -0.03 0.00 -1.00 0.00 0.00 55.97 55.46 2i85 s LYS 85 Cb -0.12 0.24 0.05 0.00 -2.06 0.00 0.00 37.83 35.94 2i85 s LYS 85 CO 0.02 -0.08 0.17 -0.06 0.10 0.00 0.00 175.35 175.50 2i85 s PHE 86 N -0.04 -0.20 -0.29 1.78 0.40 -0.01 -5.01 117.98 114.62 2i85 s PHE 86 Ca -0.02 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 56.92 2i85 s PHE 86 Cb -0.03 -0.23 0.05 0.00 0.51 0.00 0.00 43.02 43.32 2i85 s PHE 86 CO 0.01 -0.27 -0.01 -0.08 0.70 0.00 0.00 175.22 175.58 2i85 s THR 87 N 2.20 2.96 -0.21 0.64 -1.32 -1.26 -0.93 115.64 117.72 2i85 s THR 87 Ca 0.02 -1.36 -0.05 0.00 -1.21 0.00 0.00 61.69 59.09 2i85 s THR 87 Cb -0.12 -2.69 -0.02 0.00 -1.51 0.00 0.00 72.50 68.16 2i85 s THR 87 CO -0.06 -0.08 -0.00 -0.63 -2.21 0.00 0.00 174.62 171.64 2i85 s ILE 88 N 1.25 3.91 0.41 5.08 1.09 -0.61 -5.02 121.20 127.30 2i85 s ILE 88 Ca -0.05 -0.33 0.08 0.00 -1.10 0.00 0.00 60.65 59.25 2i85 s ILE 88 Cb -0.20 -2.77 -0.01 0.00 -1.06 0.00 0.00 42.46 38.42 2i85 s ILE 88 CO -0.01 0.42 0.43 -1.59 -0.10 0.00 0.00 174.94 174.09 2i85 s LYS 89 N 1.09 2.66 0.42 2.79 -2.85 -1.26 -0.84 119.74 121.74 2i85 s LYS 89 Ca 0.02 -1.41 0.27 0.00 -1.00 0.00 0.00 55.97 53.85 2i85 s LYS 89 Cb -0.14 -2.52 1.37 0.00 -2.06 0.00 0.00 37.83 34.48 2i85 s LYS 89 CO 0.01 -0.18 1.62 0.27 0.10 0.00 0.00 175.35 177.17 2i85 h PHE 90 N 0.92 0.62 -0.18 1.78 -0.00 -1.31 -3.42 116.94 115.34 2i85 h PHE 90 Ca -0.41 0.03 -0.74 0.00 -0.00 0.00 0.00 57.97 56.85 2i85 h PHE 90 Cb 1.27 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.95 37.03 2i85 h PHE 90 CO 0.48 -0.24 1.37 0.94 -0.00 0.00 0.00 178.31 180.85 2i85 n GLN 91 N -4.82 0.17 0.00 6.09 -0.06 -1.26 -4.73 117.38 112.77 2i85 n GLN 91 Ca 0.37 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 2i85 n GLN 91 Cb 1.35 -1.66 0.00 0.00 -4.06 0.00 0.00 30.24 25.87 2i85 n GLN 91 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2i85 n GLU 92 N 7.68 0.00 -2.21 3.69 2.13 -1.26 -4.83 120.64 125.84 2i85 n GLU 92 Ca 0.53 0.41 -0.42 0.00 0.66 0.00 0.00 57.16 58.34 2i85 n GLU 92 Cb 0.01 -0.90 -0.03 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.84 3.15 -0.07 4.31 5.36 -1.26 -3.27 117.98 125.35 2i85 s PHE 93 Ca 0.00 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 2i85 s PHE 93 Cb 0.00 -3.65 0.01 0.00 -0.34 0.00 0.00 43.02 39.04 2i85 s PHE 93 CO 0.00 -2.31 -0.12 -1.12 -1.46 0.00 0.00 175.22 170.22 2i85 s SER 94 N 1.32 1.81 0.26 6.13 0.01 -1.26 -4.99 113.70 116.98 2i85 s SER 94 Ca 0.64 -0.30 0.25 0.00 1.31 0.00 0.00 55.95 57.85 2i85 s SER 94 Cb -0.35 -0.83 0.92 0.00 0.21 0.00 0.00 66.02 65.97 2i85 s SER 94 CO 0.29 0.02 1.75 1.55 0.41 0.00 0.00 173.24 177.26 2i85 h PRO 95 N 7.10 0.00 0.32 12.44 0.13 -2.03 -3.32 132.00 146.64 2i85 h PRO 95 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2i85 h PRO 95 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2i85 h PRO 95 CO 0.47 0.00 -0.16 -0.97 -0.23 0.00 0.00 178.00 177.11 2i85 h ASN 96 N 0.00 -0.37 -4.97 1.44 -0.73 -2.03 -3.48 115.58 105.44 2i85 h ASN 96 Ca 0.00 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.01 2i85 h ASN 96 Cb 0.53 0.10 -0.12 0.00 0.27 0.00 0.00 38.32 39.10 2i85 h ASN 96 CO 0.00 -0.00 0.25 -0.22 -0.37 0.00 0.00 177.43 177.08 2i85 s LEU 97 N -9.50 -0.51 0.00 0.34 2.96 -1.25 -5.05 118.68 105.66 2i85 s LEU 97 Ca -0.14 -0.06 0.23 0.00 -0.22 0.00 0.00 54.13 53.93 2i85 s LEU 97 Cb 0.02 2.55 1.33 0.00 0.50 0.00 0.00 46.19 50.58 2i85 s LEU 97 CO 0.54 -0.97 1.86 -2.67 -1.32 0.00 0.00 176.35 173.78 2i85 n TRP 98 N -0.37 0.01 -0.00 5.38 4.27 -1.26 -3.96 117.44 121.50 2i85 n TRP 98 Ca -0.15 -0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.41 2i85 n TRP 98 Cb 0.64 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 30.76 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 2i85 h GLY 99 N 5.28 0.58 1.11 -1.67 0.00 -1.96 -3.03 103.07 103.37 2i85 h GLY 99 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2i85 h GLY 99 CO 0.00 0.45 -0.89 1.41 0.00 0.00 0.00 176.54 177.51 2i85 h LEU 100 N 0.47 0.00 -9.63 3.11 3.38 -1.89 -3.47 115.31 107.28 2i85 h LEU 100 Ca 0.06 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.45 2i85 h LEU 100 Cb 0.72 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.59 2i85 h LEU 100 CO 0.06 0.00 0.24 -0.62 0.09 0.00 0.00 178.44 178.21 2i85 n GLU 101 N -2.73 1.55 -4.11 1.13 -0.58 -1.15 -4.76 120.64 110.00 2i85 n GLU 101 Ca 0.00 0.55 -0.08 0.00 -0.42 0.00 0.00 57.16 57.22 2i85 n GLU 101 Cb 0.55 -2.06 -0.10 0.00 -0.57 0.00 0.00 31.44 29.26 2i85 n GLU 101 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2i85 s PHE 102 N -1.17 0.60 -0.08 -0.32 0.08 -1.25 -5.02 117.98 110.81 2i85 s PHE 102 Ca 0.60 -1.09 0.05 0.00 0.12 0.00 0.00 56.93 56.61 2i85 s PHE 102 Cb -0.60 -0.42 -0.00 0.00 -0.57 0.00 0.00 43.02 41.43 2i85 s PHE 102 CO 0.59 -0.39 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.43 2i85 s GLN 103 N -3.94 2.86 1.24 0.44 1.11 -1.26 -4.81 119.66 115.31 2i85 s GLN 103 Ca 0.10 -0.89 -0.16 0.00 0.01 0.00 0.00 55.36 54.43 2i85 s GLN 103 Cb 0.08 -2.25 0.31 0.00 -1.01 0.00 0.00 33.01 30.14 2i85 s GLN 103 CO -0.08 0.26 1.00 -1.59 0.01 0.00 0.00 175.29 174.89 2i85 s LYS 104 N 0.15 -1.53 -0.71 2.91 -2.85 -1.26 -3.99 119.74 112.46 2i85 s LYS 104 Ca -0.13 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 2i85 s LYS 104 Cb -0.16 -1.51 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 2i85 s LYS 104 CO 0.07 -4.06 0.00 0.27 0.10 0.00 0.00 175.35 171.73 2i85 n ASN 105 N -5.11 -2.88 -3.81 0.03 0.23 -0.01 -4.91 115.26 98.79 2i85 n ASN 105 Ca 0.06 0.29 -0.18 0.00 -0.53 0.00 0.00 54.58 54.22 2i85 n ASN 105 Cb 0.56 -2.52 -0.16 0.00 -2.08 0.00 0.00 39.78 35.58 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2i85 s LYS 106 N -4.90 0.34 -0.08 -3.83 2.36 -1.03 -5.01 119.74 107.59 2i85 s LYS 106 Ca 0.00 0.08 -0.23 0.00 -2.55 0.00 0.00 55.97 53.27 2i85 s LYS 106 Cb 0.00 -0.54 -0.04 0.00 -1.05 0.00 0.00 37.83 36.20 2i85 s LYS 106 CO 0.00 -0.15 0.68 -0.51 1.55 0.00 0.00 175.35 176.92 2i85 s ASP 107 N 1.14 6.94 -0.10 1.43 1.01 -1.26 -3.55 116.67 122.27 2i85 s ASP 107 Ca -0.08 1.13 -0.04 0.00 0.71 0.00 0.00 52.55 54.27 2i85 s ASP 107 Cb -0.13 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2i85 s ASP 107 CO -0.02 -0.12 0.07 -0.47 0.21 0.00 0.00 175.17 174.84 2i85 s TYR 108 N 0.88 3.36 -0.01 4.23 5.04 -0.13 -5.01 117.35 125.71 2i85 s TYR 108 Ca 0.36 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2i85 s TYR 108 Cb -0.17 -1.86 0.01 0.00 0.35 0.00 0.00 41.96 40.28 2i85 s TYR 108 CO 0.17 0.59 -0.01 0.71 -1.34 0.00 0.00 175.55 175.66 2i85 s TYR 109 N -0.93 0.21 -0.02 4.97 2.02 -1.26 -1.88 117.35 120.46 2i85 s TYR 109 Ca 0.14 -0.02 -0.07 0.00 -0.37 0.00 0.00 57.07 56.75 2i85 s TYR 109 Cb -0.12 -0.19 0.01 0.00 -0.40 0.00 0.00 41.96 41.26 2i85 s TYR 109 CO 0.03 -0.03 0.15 0.42 -1.57 0.00 0.00 175.55 174.54 2i85 s ILE 110 N 0.23 0.06 0.11 2.71 1.01 -1.11 -1.31 121.20 122.91 2i85 s ILE 110 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2i85 s ILE 110 Cb -0.04 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2i85 s ILE 110 CO -0.01 -0.27 0.04 0.27 0.00 0.00 0.00 174.94 174.98 2i85 s ILE 111 N -0.96 0.13 -0.01 2.92 -4.36 0.12 -0.33 121.20 118.70 2i85 s ILE 111 Ca -0.11 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2i85 s ILE 111 Cb -0.06 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.73 2i85 s ILE 111 CO 0.01 -0.58 0.04 -0.55 0.24 0.00 0.00 174.94 174.11 2i85 s SER 112 N -3.02 -0.03 -0.94 4.36 0.15 -0.81 -1.23 113.70 112.18 2i85 s SER 112 Ca 0.20 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 2i85 s SER 112 Cb 0.08 0.09 0.28 0.00 -1.71 0.00 0.00 66.02 64.75 2i85 s SER 112 CO -0.01 -0.03 1.15 0.35 1.20 0.00 0.00 173.24 175.90 2i85 n THR 113 N 2.99 4.12 0.33 6.45 -2.24 -1.25 -3.19 114.28 121.49 2i85 n THR 113 Ca -0.13 -5.57 0.22 0.00 -2.27 0.00 0.00 64.05 56.31 2i85 n THR 113 Cb 0.60 -2.18 1.20 0.00 -2.10 0.00 0.00 70.33 67.84 2i85 n THR 113 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2i85 h SER 114 N 5.31 0.00 0.31 3.42 0.87 -1.93 0.59 113.55 122.11 2i85 h SER 114 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2i85 h SER 114 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2i85 h SER 114 CO 1.10 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.99 2i85 n ASN 115 N -3.04 0.00 -1.65 6.23 4.13 -1.26 -4.12 115.26 115.54 2i85 n ASN 115 Ca -0.03 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.90 2i85 n ASN 115 Cb 0.07 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2i85 n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i85 n GLY 116 N 0.77 1.53 3.50 7.41 0.00 0.20 -4.74 105.19 113.85 2i85 n GLY 116 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2i85 n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i85 n SER 117 N 1.62 -1.25 0.04 1.61 7.64 -1.26 -4.10 113.62 117.92 2i85 n SER 117 Ca 0.00 0.06 0.21 0.00 1.01 0.00 0.00 58.87 60.15 2i85 n SER 117 Cb 0.27 -1.28 0.73 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.28 0.00 -2.09 -3.43 -0.00 -1.98 0.11 115.31 105.64 2i85 h LEU 118 Ca -0.54 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.40 2i85 h LEU 118 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2i85 h LEU 118 CO 0.44 0.00 0.16 -0.33 -0.00 0.00 0.00 178.44 178.70 2i85 h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.93 -3.35 114.58 115.51 2i85 h GLU 119 Ca 0.24 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 2i85 h GLU 119 Cb 1.15 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 2i85 h GLU 119 CO -0.00 0.00 -0.27 0.41 -1.00 0.00 0.00 179.01 178.15 2i85 n GLY 120 N -1.52 1.58 0.25 -3.84 0.00 -0.01 -5.00 105.19 96.66 2i85 n GLY 120 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 1.28 0.45 -0.00 0.99 8.10 -1.03 -1.06 115.31 124.03 2i85 h LEU 121 Ca -0.38 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.49 2i85 h LEU 121 Cb 1.28 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2i85 h LEU 121 CO -0.14 0.63 -0.08 -0.67 -4.11 0.00 0.00 178.44 174.06 2i85 n ASP 122 N -4.19 0.08 -4.18 0.17 2.03 -1.26 -4.57 116.55 104.63 2i85 n ASP 122 Ca 0.00 0.36 -0.41 0.00 0.52 0.00 0.00 54.79 55.25 2i85 n ASP 122 Cb 0.33 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.35 2i85 n ASP 122 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2i85 n ASN 123 N -1.49 4.19 -0.98 1.67 5.15 -0.40 -4.82 115.26 118.59 2i85 n ASN 123 Ca 0.07 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 2i85 n ASN 123 Cb 0.34 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2i85 n GLN 124 N 7.38 0.26 -3.76 1.20 6.02 -1.26 -4.71 117.38 122.51 2i85 n GLN 124 Ca 0.50 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.36 2i85 n GLN 124 Cb 0.43 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2i85 s GLU 125 N 0.66 0.41 -0.55 -1.09 2.02 -1.25 -0.56 118.70 118.34 2i85 s GLU 125 Ca 0.00 0.43 -0.01 0.00 0.02 0.00 0.00 54.97 55.41 2i85 s GLU 125 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 2i85 s GLU 125 CO 0.00 -0.05 0.50 0.41 0.02 0.00 0.00 175.26 176.14 2i85 n GLY 126 N 2.80 -0.71 0.00 -1.39 0.00 -0.88 -5.00 105.19 100.01 2i85 n GLY 126 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.43 6.01 0.28 -0.02 0.00 -1.26 -4.99 105.19 103.78 2i85 n GLY 127 Ca -0.02 -1.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 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 0.31 1.22 0.00 1.61 -1.51 -1.90 -1.63 116.25 114.35 2i85 h VAL 128 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 2i85 h VAL 128 Cb 0.00 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2i85 h VAL 128 CO 0.00 0.31 0.37 0.00 -1.23 0.00 0.00 177.57 177.02 2i85 h GLN 130 N 0.00 0.70 0.00 0.00 4.15 -1.48 -3.39 115.11 115.09 2i85 h GLN 130 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.83 2i85 h GLN 130 Cb 0.74 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2i85 h GLN 130 CO 0.00 1.20 0.00 2.41 -1.93 0.00 0.00 178.83 180.51 2i85 n THR 131 N -3.90 0.00 0.17 2.39 -1.04 -0.89 -4.79 114.28 106.22 2i85 n THR 131 Ca -0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.07 2i85 n THR 131 Cb 0.75 -0.21 0.69 0.00 -1.82 0.00 0.00 70.33 69.74 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 -4.02 -2.82 9.65 -1.46 -3.48 114.38 112.24 2i85 h ARG 132 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2i85 h ARG 132 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2i85 h ARG 132 CO 0.00 0.00 -0.56 0.00 2.80 0.00 0.00 179.97 182.21 2i85 n ALA 133 N -2.55 -3.27 -3.41 2.80 0.00 -0.64 -4.91 120.51 108.53 2i85 n ALA 133 Ca 0.02 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 2i85 n ALA 133 Cb 0.28 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 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 0.46 0.93 -4.04 0.00 0.00 -1.19 -4.01 117.12 109.28 2i85 n MET 134 Ca -0.05 -3.60 -0.08 0.00 0.00 0.00 0.00 57.70 53.97 2i85 n MET 134 Cb 0.08 -1.70 -0.10 0.00 0.00 0.00 0.00 33.22 31.50 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 -0.93 0.52 0.10 2.12 -2.85 -0.83 -1.92 119.74 115.95 2i85 s LYS 135 Ca 0.33 -0.99 0.09 0.00 -1.00 0.00 0.00 55.97 54.40 2i85 s LYS 135 Cb 0.08 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2i85 s LYS 135 CO -0.14 -0.10 -0.20 0.96 0.10 0.00 0.00 175.35 175.97 2i85 s ILE 136 N -3.07 2.67 -0.09 3.79 -5.25 0.55 -2.21 121.20 117.60 2i85 s ILE 136 Ca -0.01 -1.48 0.00 0.00 -0.99 0.00 0.00 60.65 58.18 2i85 s ILE 136 Cb 0.02 -2.19 0.02 0.00 2.95 0.00 0.00 42.46 43.26 2i85 s ILE 136 CO -0.07 0.16 -0.09 -0.22 -1.79 0.00 0.00 174.94 172.94 2i85 s LEU 137 N -1.92 1.32 -0.27 0.37 2.96 -0.97 -2.75 118.68 117.43 2i85 s LEU 137 Ca 0.16 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2i85 s LEU 137 Cb -0.10 -0.80 0.08 0.00 0.50 0.00 0.00 46.19 45.86 2i85 s LEU 137 CO 0.08 -0.07 0.02 -0.32 -1.32 0.00 0.00 176.35 174.74 2i85 s MET 138 N 1.34 1.14 0.11 1.98 -2.45 -0.79 -1.84 119.30 118.79 2i85 s MET 138 Ca -0.02 -1.03 -0.21 0.00 -1.25 0.00 0.00 55.69 53.17 2i85 s MET 138 Cb -0.14 -2.39 -0.07 0.00 1.25 0.00 0.00 34.83 33.48 2i85 s MET 138 CO -0.04 -0.78 0.64 0.21 1.05 0.00 0.00 175.02 176.10 2i85 s LYS 139 N 1.48 4.32 -0.17 4.11 2.20 -1.26 -0.96 119.74 129.46 2i85 s LYS 139 Ca 0.02 0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 56.44 2i85 s LYS 139 Cb -0.18 -3.24 0.08 0.00 -1.51 0.00 0.00 37.83 32.98 2i85 s LYS 139 CO -0.13 0.61 0.37 0.14 -0.36 0.00 0.00 175.35 175.98 2i85 s VAL 140 N -1.13 -0.48 0.00 4.02 -7.23 -1.23 -3.99 120.40 110.36 2i85 s VAL 140 Ca 0.31 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2i85 s VAL 140 Cb -0.21 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.15 2i85 s VAL 140 CO 0.21 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 2i85 n GLY 141 N 5.19 -1.77 0.57 2.32 0.00 -1.26 -0.83 105.19 109.41 2i85 n GLY 141 Ca -0.10 0.80 0.07 0.00 0.00 0.00 0.00 46.02 46.79 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26