#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i85 n LYS 2 N 0.00 -2.11 -3.28 1.43 3.00 -1.26 -4.54 118.16 111.39 2i85 n LYS 2 Ca 0.00 -0.58 -0.26 0.00 -0.00 0.00 0.00 58.31 57.47 2i85 n LYS 2 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 35.03 32.89 2i85 n LYS 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2i85 n SER 3 N -4.63 -6.41 -0.11 3.14 3.41 -0.95 -5.02 113.62 103.05 2i85 n SER 3 Ca 0.04 0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.53 2i85 n SER 3 Cb 0.54 -3.12 -0.11 0.00 -0.26 0.00 0.00 64.21 61.27 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 -0.48 1.30 -2.48 -1.33 -0.00 -1.24 -5.04 119.36 110.08 2i85 n ILE 4 Ca -0.03 -0.52 -0.04 0.00 -0.00 0.00 0.00 62.75 62.16 2i85 n ILE 4 Cb 0.60 -1.25 -0.03 0.00 -0.00 0.00 0.00 39.64 38.96 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 -3.13-11.62 0.25 7.28 0.31 -1.26 -4.96 118.33 105.20 2i85 n VAL 5 Ca -0.39 2.30 -0.16 0.00 -0.01 0.00 0.00 64.34 66.08 2i85 n VAL 5 Cb 0.94 -6.30 -0.08 0.00 -0.91 0.00 0.00 33.84 27.49 2i85 n VAL 5 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2i85 h LEU 6 N 3.41 -0.80 0.00 7.52 7.12 -1.96 -3.48 115.31 127.12 2i85 h LEU 6 Ca -0.40 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2i85 h LEU 6 Cb 0.90 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2i85 h LEU 6 CO 0.03 -0.47 0.00 -0.62 -0.13 0.00 0.00 178.44 177.25 2i85 n GLU 7 N -5.43 0.00 -1.94 1.25 1.02 -1.26 -5.06 120.64 109.21 2i85 n GLU 7 Ca -0.11 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.70 2i85 n GLU 7 Cb 0.33 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.78 2i85 n GLU 7 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2i85 s PRO 8 N -2.00 3.06 -0.33 3.49 0.04 -1.26 -4.36 135.00 133.64 2i85 s PRO 8 Ca 0.00 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2i85 s PRO 8 Cb 0.00 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2i85 s PRO 8 CO 0.00 -1.04 0.87 0.42 0.04 0.00 0.00 177.00 177.29 2i85 s ILE 9 N -2.28 4.68 -1.38 0.56 -1.09 -0.78 -4.53 121.20 116.38 2i85 s ILE 9 Ca 0.67 1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 60.21 2i85 s ILE 9 Cb -0.20 -4.25 0.09 0.00 -1.58 0.00 0.00 42.46 36.53 2i85 s ILE 9 CO 0.37 -0.39 2.14 0.00 -1.23 0.00 0.00 174.94 175.83 2i85 n TYR 10 N 6.50 3.12 0.00 3.97 9.36 -1.11 -2.64 117.16 136.36 2i85 n TYR 10 Ca 0.06 -2.89 0.00 0.00 3.32 0.00 0.00 57.90 58.39 2i85 n TYR 10 Cb 0.48 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 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 4.64 0.00 0.00 2.98 8.01 -1.00 -3.29 117.44 128.78 2i85 n TRP 11 Ca 0.49 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.68 2i85 n TRP 11 Cb 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 2i85 n TRP 11 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2i85 n ASN 12 N 2.38 0.00 -0.01 -0.99 2.85 -1.26 -4.94 115.26 113.29 2i85 n ASN 12 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 2i85 n ASN 12 Cb 0.00 0.00 0.45 0.00 1.24 0.00 0.00 39.78 41.47 2i85 n ASN 12 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2i85 h SER 13 N 0.00 0.43 -3.31 1.20 0.87 -2.00 -3.37 113.55 107.38 2i85 h SER 13 Ca 0.00 -0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 2i85 h SER 13 Cb 0.00 -0.10 -0.30 0.00 -0.44 0.00 0.00 62.40 61.55 2i85 h SER 13 CO 0.00 0.30 -0.82 -0.55 -0.53 0.00 0.00 176.83 175.23 2i85 s SER 14 N -6.58 3.53 0.29 6.23 0.15 -1.21 -5.08 113.70 111.04 2i85 s SER 14 Ca -0.08 -0.47 0.11 0.00 0.70 0.00 0.00 55.95 56.21 2i85 s SER 14 Cb 0.18 -1.52 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 2i85 s SER 14 CO 0.73 0.14 -0.17 0.20 1.20 0.00 0.00 173.24 175.34 2i85 s ASN 15 N 0.50 3.55 0.24 5.45 0.01 -1.26 -2.75 114.94 120.68 2i85 s ASN 15 Ca -0.12 -1.08 -0.06 0.00 -0.71 0.00 0.00 52.86 50.89 2i85 s ASN 15 Cb -0.16 -0.30 0.29 0.00 0.41 0.00 0.00 41.25 41.48 2i85 s ASN 15 CO 0.05 -0.04 1.88 0.77 -1.51 0.00 0.00 177.10 178.24 2i85 h SER 16 N 2.22 0.93 0.91 -1.22 4.64 -1.91 -2.65 113.55 116.47 2i85 h SER 16 Ca -0.40 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 2i85 h SER 16 Cb 1.25 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 2i85 h SER 16 CO 0.63 0.63 -0.92 0.50 -0.87 0.00 0.00 176.83 176.81 2i85 h LYS 17 N 1.09 0.01 -7.00 4.77 1.63 -1.91 -3.49 116.57 111.67 2i85 h LYS 17 Ca 0.36 -0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 59.56 2i85 h LYS 17 Cb 0.04 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.61 2i85 h LYS 17 CO -0.13 0.92 -0.98 0.34 -3.45 0.00 0.00 179.45 176.14 2i85 n PHE 18 N -3.46 -1.30 -4.01 1.91 7.35 -1.00 -4.95 117.46 112.00 2i85 n PHE 18 Ca -0.00 0.17 -0.31 0.00 -0.76 0.00 0.00 57.45 56.54 2i85 n PHE 18 Cb 0.87 -2.69 -0.15 0.00 0.35 0.00 0.00 39.48 37.86 2i85 n PHE 18 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2i85 s LEU 19 N -7.42 3.83 -0.41 -2.13 0.20 -1.25 -5.03 118.68 106.47 2i85 s LEU 19 Ca 0.37 -1.73 -0.28 0.00 0.69 0.00 0.00 54.13 53.19 2i85 s LEU 19 Cb -0.21 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 2i85 s LEU 19 CO 0.96 -0.30 1.77 -2.16 -0.29 0.00 0.00 176.35 176.33 2i85 s PRO 20 N 1.09 3.19 0.00 0.98 0.04 -1.26 -3.53 135.00 135.51 2i85 s PRO 20 Ca 0.02 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2i85 s PRO 20 Cb -0.19 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2i85 s PRO 20 CO -0.08 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.33 2i85 n GLY 21 N 5.45 -0.52 0.32 0.56 0.00 -1.26 -4.94 105.19 104.79 2i85 n GLY 21 Ca 0.22 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.53 2i85 n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i85 h GLN 22 N 0.00 0.00 0.00 1.61 4.20 -1.79 -3.41 115.11 115.73 2i85 h GLN 22 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2i85 h GLN 22 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2i85 h GLN 22 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2i85 n GLY 23 N -1.37 2.34 2.94 3.46 0.00 -1.23 -3.28 105.19 108.05 2i85 n GLY 23 Ca -0.01 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 1.94 -0.15 0.99 2.96 -1.04 -3.80 118.68 119.57 2i85 s LEU 24 Ca 0.00 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2i85 s LEU 24 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 2i85 s LEU 24 CO 0.00 0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 2i85 s VAL 25 N -0.01 3.15 0.06 1.68 1.01 -1.26 -2.30 120.40 122.73 2i85 s VAL 25 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2i85 s VAL 25 Cb -0.03 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2i85 s VAL 25 CO -0.00 0.50 0.20 -0.76 0.00 0.00 0.00 175.10 175.04 2i85 s LEU 26 N 0.59 4.31 -0.27 3.92 2.01 -0.55 -4.78 118.68 123.91 2i85 s LEU 26 Ca -0.07 0.25 -0.29 0.00 0.01 0.00 0.00 54.13 54.03 2i85 s LEU 26 Cb -0.15 -2.91 0.01 0.00 0.01 0.00 0.00 46.19 43.15 2i85 s LEU 26 CO 0.03 0.17 1.05 -0.31 1.01 0.00 0.00 176.35 178.31 2i85 s TYR 27 N -1.49 3.25 -1.11 0.29 1.51 -1.26 -4.66 117.35 113.88 2i85 s TYR 27 Ca 0.34 1.34 -0.18 0.00 -1.01 0.00 0.00 57.07 57.56 2i85 s TYR 27 Cb -0.13 -3.47 -0.06 0.00 -0.11 0.00 0.00 41.96 38.19 2i85 s TYR 27 CO 0.27 -0.61 2.09 -0.35 -1.11 0.00 0.00 175.55 175.84 2i85 n PRO 28 N 6.58 2.18 -3.67 -1.71 -0.04 -1.26 -4.86 135.00 132.21 2i85 n PRO 28 Ca 0.12 -2.18 -0.22 0.00 -0.04 0.00 0.00 63.50 61.17 2i85 n PRO 28 Cb 0.47 -3.07 -0.18 0.00 -0.04 0.00 0.00 33.50 30.68 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 4.07 0.09 -0.54 0.54 -1.52 -1.26 -4.29 119.66 116.75 2i85 s GLN 29 Ca 0.52 0.19 -0.28 0.00 -1.95 0.00 0.00 55.36 53.85 2i85 s GLN 29 Cb 0.14 -0.98 -0.00 0.00 -0.22 0.00 0.00 33.01 31.95 2i85 s GLN 29 CO 0.02 -0.43 1.59 0.42 -0.25 0.00 0.00 175.29 176.64 2i85 s ILE 30 N 2.12 3.62 0.00 1.08 -1.09 -1.26 -3.01 121.20 122.66 2i85 s ILE 30 Ca 0.04 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2i85 s ILE 30 Cb -0.13 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2i85 s ILE 30 CO -0.05 -1.00 0.00 0.61 -1.23 0.00 0.00 174.94 173.27 2i85 n GLY 31 N 5.40 0.95 3.91 6.18 0.00 -1.25 -5.03 105.19 115.36 2i85 n GLY 31 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 5.19 -0.05 1.61 -1.08 -1.16 -2.25 116.67 118.93 2i85 s ASP 32 Ca 0.00 0.78 -0.25 0.00 -0.52 0.00 0.00 52.55 52.56 2i85 s ASP 32 Cb 0.00 -1.56 0.06 0.00 -1.46 0.00 0.00 42.92 39.96 2i85 s ASP 32 CO 0.00 -1.41 0.56 -1.59 0.52 0.00 0.00 175.17 173.26 2i85 s LYS 33 N -5.25 0.92 -0.06 4.34 -2.85 -1.26 -0.85 119.74 114.73 2i85 s LYS 33 Ca 0.58 0.16 0.01 0.00 -1.00 0.00 0.00 55.97 55.72 2i85 s LYS 33 Cb -0.11 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.11 2i85 s LYS 33 CO 0.48 -0.27 -0.07 -0.51 0.10 0.00 0.00 175.35 175.08 2i85 s LEU 34 N -1.14 1.37 -0.53 2.77 2.01 -0.24 -3.55 118.68 119.37 2i85 s LEU 34 Ca -0.11 -0.20 -0.05 0.00 0.01 0.00 0.00 54.13 53.79 2i85 s LEU 34 Cb -0.02 -0.60 0.14 0.00 0.01 0.00 0.00 46.19 45.71 2i85 s LEU 34 CO 0.08 -0.04 0.36 1.51 1.01 0.00 0.00 176.35 179.26 2i85 s ASP 35 N 0.98 5.43 0.02 2.29 1.47 -1.26 -1.97 116.67 123.63 2i85 s ASP 35 Ca -0.10 -2.36 -0.30 0.00 1.18 0.00 0.00 52.55 50.97 2i85 s ASP 35 Cb -0.14 -1.90 -0.05 0.00 -0.34 0.00 0.00 42.92 40.49 2i85 s ASP 35 CO 0.00 -0.51 1.22 -0.51 0.68 0.00 0.00 175.17 176.05 2i85 s ILE 36 N 0.67 4.05 -0.03 2.11 2.07 -0.11 -1.86 121.20 128.11 2i85 s ILE 36 Ca 0.12 1.45 0.02 0.00 -1.41 0.00 0.00 60.65 60.82 2i85 s ILE 36 Cb -0.22 -3.93 0.01 0.00 0.13 0.00 0.00 42.46 38.45 2i85 s ILE 36 CO -0.03 0.07 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.36 2i85 s ILE 37 N 1.55 0.66 -0.03 2.00 1.01 -1.08 -1.72 121.20 123.59 2i85 s ILE 37 Ca 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 2i85 s ILE 37 Cb -0.28 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.61 2i85 s ILE 37 CO 0.27 0.22 0.05 0.00 0.00 0.00 0.00 174.94 175.48 2i85 s PRO 39 N 1.66 1.92 -0.13 0.00 0.04 -1.26 -1.62 135.00 135.61 2i85 s PRO 39 Ca -0.02 0.88 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 2i85 s PRO 39 Cb -0.12 -1.88 -0.26 0.00 0.04 0.00 0.00 34.50 32.28 2i85 s PRO 39 CO -0.03 -1.79 0.64 -0.22 0.04 0.00 0.00 177.00 175.64 2i85 h LYS 40 N -1.23 0.10 -3.19 4.56 3.11 -1.81 -3.39 116.57 114.73 2i85 h LYS 40 Ca -0.47 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 57.20 2i85 h LYS 40 Cb 1.26 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 2i85 h LYS 40 CO 0.55 1.08 -0.49 0.28 -2.81 0.00 0.00 179.45 178.06 2i85 n VAL 41 N -4.35 -7.81 0.00 2.00 0.31 -1.26 -4.89 118.33 102.32 2i85 n VAL 41 Ca -0.18 1.64 0.00 0.00 -0.01 0.00 0.00 64.34 65.79 2i85 n VAL 41 Cb 0.66 -4.37 0.00 0.00 -0.91 0.00 0.00 33.84 29.22 2i85 n VAL 41 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2i85 n ASP 42 N 0.93 0.00 0.06 4.52 8.00 -1.26 -3.90 116.55 124.91 2i85 n ASP 42 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2i85 n ASP 42 Cb 0.00 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.58 -0.26 -2.24 0.87 -1.99 -2.27 113.55 108.24 2i85 h SER 43 Ca 0.00 -0.46 -0.16 0.00 -1.23 0.00 0.00 61.79 59.94 2i85 h SER 43 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2i85 h SER 43 CO 0.00 1.25 -0.47 0.11 -0.53 0.00 0.00 176.83 177.19 2i85 h LYS 44 N 0.26 0.78 0.00 2.24 1.79 -2.03 -3.43 116.57 116.17 2i85 h LYS 44 Ca -0.08 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2i85 h LYS 44 Cb 1.57 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 2i85 h LYS 44 CO 0.17 1.12 0.00 2.41 -1.08 0.00 0.00 179.45 182.06 2i85 n THR 45 N -4.11 0.00 0.00 -0.16 -1.04 -1.25 -5.11 114.28 102.60 2i85 n THR 45 Ca -0.05 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2i85 n THR 45 Cb 0.58 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -1.43 0.00 0.00 12.58 3.14 -0.85 -4.93 118.33 126.84 2i85 n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i85 n VAL 46 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.65 0.93 1.82 7.55 0.00 -1.25 -4.57 105.19 109.01 2i85 n GLY 47 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2i85 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i85 n GLN 48 N 0.00 0.67 0.00 1.61 -0.00 -1.26 -4.95 117.38 113.45 2i85 n GLN 48 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 57.00 55.84 2i85 n GLN 48 Cb 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 30.24 30.66 2i85 n GLN 48 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2i85 n TYR 49 N -0.73 0.00 -2.46 2.61 9.36 -1.26 -5.02 117.16 119.66 2i85 n TYR 49 Ca -0.22 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.09 2i85 n TYR 49 Cb 0.79 -0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 39.47 2i85 n TYR 49 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2i85 n GLU 50 N -0.44 -1.29 -4.49 2.98 2.13 -1.26 -5.00 120.64 113.26 2i85 n GLU 50 Ca 0.00 0.85 -0.23 0.00 0.66 0.00 0.00 57.16 58.44 2i85 n GLU 50 Cb 0.02 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.05 2i85 n GLU 50 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2i85 s TYR 51 N -1.16 2.10 0.03 4.31 -0.85 -1.26 -4.92 117.35 115.60 2i85 s TYR 51 Ca 0.00 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 55.71 2i85 s TYR 51 Cb 0.00 -1.38 -0.02 0.00 0.38 0.00 0.00 41.96 40.94 2i85 s TYR 51 CO 0.00 0.15 -0.06 0.71 -1.52 0.00 0.00 175.55 174.83 2i85 s TYR 52 N -3.12 0.51 -0.07 -3.49 2.02 -0.83 -4.53 117.35 107.85 2i85 s TYR 52 Ca 0.35 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2i85 s TYR 52 Cb 0.08 -0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 2i85 s TYR 52 CO 0.16 -0.09 0.04 -1.59 -1.57 0.00 0.00 175.55 172.50 2i85 s LYS 53 N -1.27 0.19 -0.25 -0.62 -2.85 -1.26 -1.68 119.74 112.00 2i85 s LYS 53 Ca -0.09 0.21 -0.08 0.00 -1.00 0.00 0.00 55.97 55.01 2i85 s LYS 53 Cb -0.08 -0.87 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 2i85 s LYS 53 CO -0.00 -0.37 0.09 0.08 0.10 0.00 0.00 175.35 175.25 2i85 s VAL 54 N 2.09 4.48 0.01 1.79 1.01 -0.88 -4.03 120.40 124.87 2i85 s VAL 54 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2i85 s VAL 54 Cb -0.13 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2i85 s VAL 54 CO -0.05 0.33 -0.02 -0.47 0.00 0.00 0.00 175.10 174.89 2i85 s TYR 55 N 1.60 0.20 -0.09 5.22 5.04 -0.95 -0.84 117.35 127.53 2i85 s TYR 55 Ca 0.06 -0.30 -0.28 0.00 -2.44 0.00 0.00 57.07 54.12 2i85 s TYR 55 Cb -0.15 -0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 2i85 s TYR 55 CO 0.05 -0.10 0.91 0.00 -1.34 0.00 0.00 175.55 175.07 2i85 s MET 56 N -0.82 4.43 0.08 4.97 0.23 -1.26 -0.52 119.30 126.41 2i85 s MET 56 Ca -0.08 1.23 -0.07 0.00 -1.03 0.00 0.00 55.69 55.74 2i85 s MET 56 Cb -0.06 -3.51 -0.01 0.00 -1.53 0.00 0.00 34.83 29.72 2i85 s MET 56 CO -0.00 -0.19 0.13 0.14 -2.03 0.00 0.00 175.02 173.07 2i85 s VAL 57 N 1.59 0.16 0.87 5.16 -7.23 0.10 -4.95 120.40 116.10 2i85 s VAL 57 Ca 0.45 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2i85 s VAL 57 Cb -0.18 -1.39 0.11 0.00 0.56 0.00 0.00 36.38 35.48 2i85 s VAL 57 CO 0.19 -0.74 1.10 -1.81 -0.31 0.00 0.00 175.10 173.53 2i85 s ASP 58 N -2.88 3.60 0.53 4.85 1.11 -1.26 -4.13 116.67 118.48 2i85 s ASP 58 Ca 0.05 1.83 0.30 0.00 0.18 0.00 0.00 52.55 54.91 2i85 s ASP 58 Cb 0.06 -2.44 1.44 0.00 1.07 0.00 0.00 42.92 43.05 2i85 s ASP 58 CO -0.11 -2.61 1.90 0.11 1.18 0.00 0.00 175.17 175.64 2i85 h LYS 59 N -1.53 0.03 -0.24 8.23 1.79 -1.98 -1.52 116.57 121.34 2i85 h LYS 59 Ca -0.46 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 2i85 h LYS 59 Cb 1.26 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2i85 h LYS 59 CO 0.49 0.02 0.13 0.22 -1.08 0.00 0.00 179.45 179.23 2i85 h ASP 60 N 0.03 0.30 -0.19 0.86 3.58 -1.99 -0.43 116.42 118.58 2i85 h ASP 60 Ca 0.41 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.62 2i85 h ASP 60 Cb 1.58 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2i85 h ASP 60 CO -0.02 0.31 -0.40 1.56 -2.88 0.00 0.00 179.24 177.81 2i85 h GLN 61 N 0.27 0.73 -0.90 0.28 1.08 -1.68 -1.12 115.11 113.78 2i85 h GLN 61 Ca 0.08 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 56.92 2i85 h GLN 61 Cb 0.08 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 2i85 h GLN 61 CO -0.01 1.00 0.59 0.00 -0.95 0.00 0.00 178.83 179.46 2i85 h ALA 62 N 0.95 1.16 0.04 3.87 0.00 -1.14 0.19 119.26 124.32 2i85 h ALA 62 Ca 0.05 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2i85 h ALA 62 Cb 0.95 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 18.41 2i85 h ALA 62 CO 0.09 0.51 -1.09 0.22 0.00 0.00 0.00 179.25 178.97 2i85 h ASP 63 N 1.19 0.79 0.56 0.00 3.58 -1.00 -3.12 116.42 118.43 2i85 h ASP 63 Ca 0.34 -0.67 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 2i85 h ASP 63 Cb -0.09 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.71 2i85 h ASP 63 CO -0.09 1.48 -0.01 0.03 -2.88 0.00 0.00 179.24 177.77 2i85 h ARG 64 N 0.31 0.00 -6.22 0.28 3.08 -1.12 -3.48 114.38 107.23 2i85 h ARG 64 Ca -0.14 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.47 2i85 h ARG 64 Cb 1.75 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.82 2i85 h ARG 64 CO 0.21 0.01 -0.85 0.00 -1.07 0.00 0.00 179.97 178.27 2i85 s THR 66 N -3.77 1.06 -0.10 0.00 -4.23 -0.84 -0.69 115.64 107.07 2i85 s THR 66 Ca 0.00 -1.68 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2i85 s THR 66 Cb -0.00 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 2i85 s THR 66 CO 0.84 -0.53 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.68 2i85 s ILE 67 N -2.40 3.58 0.11 2.99 -1.09 -0.65 -4.60 121.20 119.15 2i85 s ILE 67 Ca 0.07 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.68 2i85 s ILE 67 Cb -0.03 -2.49 -0.06 0.00 -1.58 0.00 0.00 42.46 38.30 2i85 s ILE 67 CO 0.01 0.56 1.12 -0.75 -1.23 0.00 0.00 174.94 174.65 2i85 s LYS 68 N -0.36 4.54 0.46 2.79 2.47 -1.26 -4.78 119.74 123.60 2i85 s LYS 68 Ca 0.05 1.69 0.31 0.00 -1.56 0.00 0.00 55.97 56.46 2i85 s LYS 68 Cb -0.12 -3.33 1.65 0.00 -1.46 0.00 0.00 37.83 34.57 2i85 s LYS 68 CO 0.02 -0.05 1.95 1.57 0.16 0.00 0.00 175.35 179.00 2i85 h LYS 69 N 5.91 0.00 0.00 4.03 2.10 -1.99 -0.99 116.57 125.63 2i85 h LYS 69 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2i85 h LYS 69 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2i85 h LYS 69 CO 0.76 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.60 2i85 n GLU 70 N -2.60 0.40 -0.71 0.07 1.02 -1.26 -4.82 120.64 112.73 2i85 n GLU 70 Ca -0.02 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2i85 n GLU 70 Cb 0.07 -1.50 0.15 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 -1.02 -1.43 0.00 1.62 0.23 -0.38 -4.93 115.26 109.36 2i85 n ASN 71 Ca 0.10 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2i85 n ASN 71 Cb 0.05 -1.25 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 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 -4.03 0.00 1.70 5.53 -1.04 -1.26 -4.95 114.28 110.23 2i85 n THR 72 Ca 0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.12 2i85 n THR 72 Cb 0.54 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.25 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 -1.71 1.23 -1.64 -2.82 -0.04 -1.26 -4.90 135.00 123.86 2i85 n PRO 73 Ca 0.00 -0.36 -0.51 0.00 -0.04 0.00 0.00 63.50 62.59 2i85 n PRO 73 Cb 0.00 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2i85 n PRO 73 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2i85 n LEU 74 N -0.28 2.40 -4.43 1.53 0.00 -1.26 -4.94 117.00 110.02 2i85 n LEU 74 Ca 0.07 1.08 -0.44 0.00 0.00 0.00 0.00 56.01 56.73 2i85 n LEU 74 Cb 0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 43.42 42.20 2i85 n LEU 74 CO 0.05 -0.61 0.43 -0.22 0.00 0.00 0.00 177.39 177.05 2i85 s LEU 75 N 1.54 5.00 -0.79 -1.96 1.98 -0.02 -4.94 118.68 119.49 2i85 s LEU 75 Ca 0.86 -1.07 -0.07 0.00 -2.89 0.00 0.00 54.13 50.96 2i85 s LEU 75 Cb -0.86 -2.42 -0.06 0.00 0.66 0.00 0.00 46.19 43.51 2i85 s LEU 75 CO 0.48 -1.05 1.96 0.59 -1.89 0.00 0.00 176.35 176.44 2i85 n ASN 76 N 6.46 4.05 -4.68 3.68 3.02 -1.26 -2.08 115.26 124.46 2i85 n ASN 76 Ca -0.07 -2.34 -0.44 0.00 -0.03 0.00 0.00 54.58 51.71 2i85 n ASN 76 Cb 0.44 -1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i85 n ALA 78 N 1.31 0.00 -0.64 0.00 0.00 -1.26 -1.96 120.51 117.97 2i85 n ALA 78 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2i85 n ALA 78 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.81 -0.77 0.05 0.00 5.02 -0.47 -4.03 118.16 117.15 2i85 n LYS 79 Ca 0.00 0.50 -0.15 0.00 -2.02 0.00 0.00 58.31 56.65 2i85 n LYS 79 Cb 0.00 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 2i85 n LYS 79 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2i85 h PRO 80 N 0.00 0.52 -0.01 1.97 0.13 -1.92 -3.43 132.00 129.26 2i85 h PRO 80 Ca 0.01 -0.51 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 2i85 h PRO 80 Cb 0.35 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.46 2i85 h PRO 80 CO 0.00 1.15 -0.39 -3.47 -0.23 0.00 0.00 178.00 175.06 2i85 n ASP 81 N -3.81 -2.01 -3.54 1.44 -0.08 -1.26 -5.11 116.55 102.17 2i85 n ASP 81 Ca -0.07 -2.85 -0.17 0.00 -1.51 0.00 0.00 54.79 50.19 2i85 n ASP 81 Cb 0.81 1.29 -0.06 0.00 2.34 0.00 0.00 41.12 45.49 2i85 n ASP 81 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2i85 s GLN 82 N 0.19 1.04 0.32 -0.67 -0.21 -1.26 -5.09 119.66 113.98 2i85 s GLN 82 Ca 0.22 0.19 -0.29 0.00 0.02 0.00 0.00 55.36 55.50 2i85 s GLN 82 Cb 0.37 0.49 -0.10 0.00 1.00 0.00 0.00 33.01 34.76 2i85 s GLN 82 CO -0.08 -0.33 1.31 0.16 -2.12 0.00 0.00 175.29 174.24 2i85 s ASP 83 N -1.27 6.77 -0.09 5.90 -4.77 -1.26 -3.95 116.67 118.00 2i85 s ASP 83 Ca -0.11 2.68 -0.04 0.00 -3.30 0.00 0.00 52.55 51.78 2i85 s ASP 83 Cb -0.00 -2.65 -0.04 0.00 -1.09 0.00 0.00 42.92 39.14 2i85 s ASP 83 CO 0.09 -0.54 0.09 -0.63 0.70 0.00 0.00 175.17 174.88 2i85 s ILE 84 N -1.06 5.05 -0.26 2.11 1.09 -0.64 -4.98 121.20 122.51 2i85 s ILE 84 Ca 0.50 -0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.99 2i85 s ILE 84 Cb -0.40 -3.20 0.14 0.00 -1.06 0.00 0.00 42.46 37.95 2i85 s ILE 84 CO 0.52 0.57 0.50 -1.59 -0.10 0.00 0.00 174.94 174.84 2i85 s LYS 85 N -1.11 0.45 -0.04 2.79 0.00 -1.26 -1.23 119.74 119.35 2i85 s LYS 85 Ca 0.16 0.91 -0.02 0.00 0.00 0.00 0.00 55.97 57.02 2i85 s LYS 85 Cb -0.12 0.20 0.03 0.00 0.00 0.00 0.00 37.83 37.94 2i85 s LYS 85 CO 0.05 -0.51 0.08 -0.06 0.00 0.00 0.00 175.35 174.91 2i85 s PHE 86 N 2.71 -0.06 -0.19 1.78 0.40 -0.70 -5.03 117.98 116.89 2i85 s PHE 86 Ca 0.11 0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 2i85 s PHE 86 Cb -0.14 -0.11 0.04 0.00 0.51 0.00 0.00 43.02 43.32 2i85 s PHE 86 CO -0.17 -0.10 -0.08 -0.08 0.70 0.00 0.00 175.22 175.49 2i85 s THR 87 N 0.80 1.43 -0.08 0.64 -1.32 -1.26 -0.93 115.64 114.92 2i85 s THR 87 Ca -0.06 -0.90 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 2i85 s THR 87 Cb -0.09 -1.57 -0.01 0.00 -1.51 0.00 0.00 72.50 69.32 2i85 s THR 87 CO -0.03 0.12 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.66 2i85 s ILE 88 N 1.48 2.39 0.03 5.08 1.01 -0.83 -4.97 121.20 125.39 2i85 s ILE 88 Ca -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2i85 s ILE 88 Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2i85 s ILE 88 CO -0.08 0.56 0.22 -1.59 0.00 0.00 0.00 174.94 174.06 2i85 s LYS 89 N -0.09 3.47 0.00 2.79 -2.85 -1.26 -1.08 119.74 120.73 2i85 s LYS 89 Ca -0.05 -0.31 -0.02 0.00 -1.00 0.00 0.00 55.97 54.59 2i85 s LYS 89 Cb -0.14 -3.05 -0.07 0.00 -2.06 0.00 0.00 37.83 32.51 2i85 s LYS 89 CO 0.04 0.63 1.76 1.19 0.10 0.00 0.00 175.35 179.07 2i85 n PHE 90 N 0.63 0.00 -3.04 1.78 3.72 -0.03 -4.31 117.46 116.22 2i85 n PHE 90 Ca -0.08 -0.75 0.05 0.00 -0.05 0.00 0.00 57.45 56.61 2i85 n PHE 90 Cb 0.52 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 2i85 n PHE 90 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2i85 s GLN 91 N 1.20 0.11 -0.49 -1.08 0.74 -1.26 -3.77 119.66 115.12 2i85 s GLN 91 Ca 0.18 0.05 0.06 0.00 0.05 0.00 0.00 55.36 55.71 2i85 s GLN 91 Cb 0.09 0.04 0.21 0.00 1.10 0.00 0.00 33.01 34.44 2i85 s GLN 91 CO 0.00 -0.19 0.73 0.39 -0.55 0.00 0.00 175.29 175.67 2i85 n GLU 92 N 4.67 0.61 -1.76 1.67 -0.58 -1.26 -5.07 120.64 118.92 2i85 n GLU 92 Ca 0.09 -2.15 -0.41 0.00 -0.42 0.00 0.00 57.16 54.26 2i85 n GLU 92 Cb 0.60 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 2i85 n GLU 92 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2i85 n PHE 93 N 2.31 2.93 -3.77 -0.32 -1.74 -1.26 -3.61 117.46 112.01 2i85 n PHE 93 Ca 0.16 0.41 -0.13 0.00 -0.56 0.00 0.00 57.45 57.33 2i85 n PHE 93 Cb 0.57 -2.54 -0.13 0.00 1.52 0.00 0.00 39.48 38.90 2i85 n PHE 93 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2i85 s SER 94 N -0.00 -0.16 0.00 5.98 0.15 -1.26 -5.02 113.70 113.38 2i85 s SER 94 Ca 0.56 0.35 0.20 0.00 0.70 0.00 0.00 55.95 57.76 2i85 s SER 94 Cb -0.48 0.28 0.94 0.00 -1.71 0.00 0.00 66.02 65.04 2i85 s SER 94 CO 0.61 -0.12 1.63 -0.81 1.20 0.00 0.00 173.24 175.74 2i85 n PRO 95 N 3.78 0.17 -1.79 5.44 -0.04 -1.26 -4.02 135.00 137.27 2i85 n PRO 95 Ca -0.21 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2i85 n PRO 95 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2i85 n PRO 95 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2i85 n ASN 96 N -1.37 -0.13 -3.26 3.54 2.85 -1.26 -5.07 115.26 110.55 2i85 n ASN 96 Ca 0.08 -2.05 -0.05 0.00 -0.11 0.00 0.00 54.58 52.44 2i85 n ASN 96 Cb 0.19 0.09 -0.04 0.00 1.24 0.00 0.00 39.78 41.26 2i85 n ASN 96 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2i85 s LEU 97 N -1.50 -1.03 0.00 1.20 1.98 -1.26 -5.04 118.68 113.04 2i85 s LEU 97 Ca 0.16 -0.33 0.08 0.00 -2.89 0.00 0.00 54.13 51.14 2i85 s LEU 97 Cb 0.25 1.39 0.39 0.00 0.66 0.00 0.00 46.19 48.88 2i85 s LEU 97 CO -0.08 -0.32 1.26 0.79 -1.89 0.00 0.00 176.35 176.11 2i85 n TRP 98 N 5.24 0.09 -0.03 5.38 8.01 -1.26 -3.64 117.44 131.22 2i85 n TRP 98 Ca 0.03 -0.04 -0.01 0.00 -1.31 0.00 0.00 57.50 56.17 2i85 n TRP 98 Cb 0.51 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.81 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2i85 h GLY 99 N 5.66 0.00 2.00 6.99 0.00 -1.97 -3.37 103.07 112.38 2i85 h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2i85 h GLY 99 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.01 2i85 n LEU 100 N -3.52 0.42 -4.74 3.11 -0.00 -1.26 -4.86 117.00 106.15 2i85 n LEU 100 Ca -0.01 0.55 -0.35 0.00 -0.00 0.00 0.00 56.01 56.20 2i85 n LEU 100 Cb 0.05 -0.43 0.06 0.00 -0.00 0.00 0.00 43.42 43.10 2i85 n LEU 100 CO 0.02 -0.16 0.81 -1.61 -0.00 0.00 0.00 177.39 176.45 2i85 s GLU 101 N -3.08 2.58 0.04 1.47 0.41 -1.24 -4.26 118.70 114.63 2i85 s GLU 101 Ca 0.11 1.73 -0.12 0.00 -0.41 0.00 0.00 54.97 56.27 2i85 s GLU 101 Cb 0.14 -1.89 0.01 0.00 -1.78 0.00 0.00 34.13 30.62 2i85 s GLU 101 CO 0.52 -1.49 0.27 -0.06 -0.49 0.00 0.00 175.26 174.01 2i85 s PHE 102 N -1.88 -0.06 -0.03 1.61 0.08 -1.26 -4.96 117.98 111.48 2i85 s PHE 102 Ca 0.74 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.73 2i85 s PHE 102 Cb -0.28 0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 2i85 s PHE 102 CO 0.40 -0.47 -0.12 -0.65 -0.10 0.00 0.00 175.22 174.27 2i85 s GLN 103 N -2.50 2.50 0.61 0.44 -0.21 -1.26 -5.00 119.66 114.24 2i85 s GLN 103 Ca -0.05 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.46 2i85 s GLN 103 Cb -0.01 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2i85 s GLN 103 CO -0.03 0.62 1.08 0.21 -2.12 0.00 0.00 175.29 175.04 2i85 s LYS 104 N -0.99 3.15 -1.47 2.91 2.20 -1.26 -3.60 119.74 120.67 2i85 s LYS 104 Ca 0.13 1.29 -0.15 0.00 -0.36 0.00 0.00 55.97 56.88 2i85 s LYS 104 Cb -0.11 -2.00 0.12 0.00 -1.51 0.00 0.00 37.83 34.33 2i85 s LYS 104 CO 0.03 -0.96 0.64 -1.71 -0.36 0.00 0.00 175.35 172.99 2i85 n ASN 105 N -2.12 -3.35 -4.01 1.43 5.15 -0.27 -4.93 115.26 107.15 2i85 n ASN 105 Ca 0.09 -0.71 -0.25 0.00 -0.60 0.00 0.00 54.58 53.12 2i85 n ASN 105 Cb 0.52 -2.77 -0.17 0.00 -0.53 0.00 0.00 39.78 36.84 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2i85 s LYS 106 N -6.50 1.65 -0.05 1.20 2.36 -0.74 -5.00 119.74 112.66 2i85 s LYS 106 Ca 0.59 -0.39 -0.08 0.00 -2.55 0.00 0.00 55.97 53.53 2i85 s LYS 106 Cb -0.32 -1.39 -0.05 0.00 -1.05 0.00 0.00 37.83 35.02 2i85 s LYS 106 CO 0.72 0.00 0.24 -0.51 1.55 0.00 0.00 175.35 177.35 2i85 s ASP 107 N 0.75 6.51 0.01 1.43 1.11 -1.26 -1.13 116.67 124.09 2i85 s ASP 107 Ca -0.13 0.60 0.08 0.00 0.18 0.00 0.00 52.55 53.28 2i85 s ASP 107 Cb -0.16 -2.11 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 2i85 s ASP 107 CO 0.03 0.33 -0.25 -0.31 1.18 0.00 0.00 175.17 176.15 2i85 s TYR 108 N -1.15 2.23 -0.12 4.23 2.02 0.05 -4.98 117.35 119.64 2i85 s TYR 108 Ca 0.22 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 2i85 s TYR 108 Cb -0.13 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2i85 s TYR 108 CO 0.11 0.03 -0.18 0.71 -1.57 0.00 0.00 175.55 174.65 2i85 s TYR 109 N -0.68 2.71 0.27 2.71 2.02 -1.26 -1.52 117.35 121.59 2i85 s TYR 109 Ca 0.10 -0.84 0.06 0.00 -0.37 0.00 0.00 57.07 56.02 2i85 s TYR 109 Cb -0.10 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2i85 s TYR 109 CO 0.00 -0.32 0.31 0.42 -1.57 0.00 0.00 175.55 174.40 2i85 s ILE 110 N 0.38 4.65 0.05 2.71 1.09 -0.72 -0.72 121.20 128.64 2i85 s ILE 110 Ca -0.14 -1.17 -0.07 0.00 -1.10 0.00 0.00 60.65 58.17 2i85 s ILE 110 Cb -0.17 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 2i85 s ILE 110 CO 0.07 -0.30 0.13 -0.51 -0.10 0.00 0.00 174.94 174.23 2i85 s ILE 111 N -2.09 0.14 0.06 2.92 2.07 0.33 -3.18 121.20 121.44 2i85 s ILE 111 Ca 0.36 -1.13 -0.10 0.00 -1.41 0.00 0.00 60.65 58.36 2i85 s ILE 111 Cb -0.08 -1.08 0.01 0.00 0.13 0.00 0.00 42.46 41.43 2i85 s ILE 111 CO 0.28 -0.63 0.22 -0.44 -1.91 0.00 0.00 174.94 172.47 2i85 s SER 112 N -2.39 0.02 -0.35 4.50 0.01 -0.68 -2.25 113.70 112.56 2i85 s SER 112 Ca -0.01 -0.42 0.12 0.00 1.31 0.00 0.00 55.95 56.95 2i85 s SER 112 Cb 0.01 0.33 0.45 0.00 0.21 0.00 0.00 66.02 67.02 2i85 s SER 112 CO -0.07 -0.64 1.07 0.35 0.41 0.00 0.00 173.24 174.36 2i85 n THR 113 N 0.37 1.79 -0.25 1.44 -2.24 -1.26 -3.58 114.28 110.56 2i85 n THR 113 Ca -0.17 -3.91 0.27 0.00 -2.27 0.00 0.00 64.05 57.96 2i85 n THR 113 Cb 0.60 -0.24 0.65 0.00 -2.10 0.00 0.00 70.33 69.24 2i85 n THR 113 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2i85 h SER 114 N 2.66 0.17 -0.02 3.42 4.64 -1.90 0.35 113.55 122.87 2i85 h SER 114 Ca 0.12 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2i85 h SER 114 Cb 1.16 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2i85 h SER 114 CO 0.62 0.05 0.05 0.78 -0.87 0.00 0.00 176.83 177.46 2i85 h ASN 115 N 0.16 0.00 -6.47 4.97 4.21 -1.89 -3.44 115.58 113.12 2i85 h ASN 115 Ca 0.50 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.52 2i85 h ASN 115 Cb 1.69 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.88 2i85 h ASN 115 CO -0.10 0.00 -0.93 0.61 -1.29 0.00 0.00 177.43 175.73 2i85 n GLY 116 N -1.18 -0.58 3.39 2.83 0.00 0.11 -4.91 105.19 104.85 2i85 n GLY 116 Ca -0.03 0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 2i85 n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i85 n SER 117 N -2.76 -2.03 -0.01 1.61 7.64 -1.25 -4.40 113.62 112.42 2i85 n SER 117 Ca -0.21 0.58 0.05 0.00 1.01 0.00 0.00 58.87 60.31 2i85 n SER 117 Cb 0.64 -1.11 0.44 0.00 -1.01 0.00 0.00 64.21 63.17 2i85 n SER 117 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2i85 h LEU 118 N -0.31 0.44 -2.07 -3.43 7.12 -1.91 0.21 115.31 115.36 2i85 h LEU 118 Ca -0.45 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.55 2i85 h LEU 118 Cb 1.37 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 2i85 h LEU 118 CO 0.41 0.31 -0.04 -0.33 -0.13 0.00 0.00 178.44 178.66 2i85 h GLU 119 N 0.52 0.00 0.00 1.25 4.39 -1.90 -3.10 114.58 115.73 2i85 h GLU 119 Ca 0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2i85 h GLU 119 Cb 0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2i85 h GLU 119 CO -0.04 0.04 -0.40 0.41 -1.16 0.00 0.00 179.01 177.86 2i85 n GLY 120 N -0.53 4.57 0.31 -3.84 0.00 0.57 -4.57 105.19 101.70 2i85 n GLY 120 Ca -0.01 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.67 0.70 -0.06 0.99 -0.00 -0.99 -3.31 115.31 113.31 2i85 h LEU 121 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2i85 h LEU 121 Cb 1.09 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2i85 h LEU 121 CO 0.01 0.61 0.00 0.47 -0.00 0.00 0.00 178.44 179.53 2i85 n ASP 122 N -4.36 0.06 -2.24 0.17 8.00 -1.26 -5.04 116.55 111.89 2i85 n ASP 122 Ca 0.05 -0.34 -0.02 0.00 0.71 0.00 0.00 54.79 55.19 2i85 n ASP 122 Cb 0.14 0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2i85 n ASP 122 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2i85 n ASN 123 N -0.43 0.22 -3.07 -2.24 3.02 -1.25 -5.08 115.26 106.44 2i85 n ASN 123 Ca 0.00 -1.13 -0.27 0.00 -0.03 0.00 0.00 54.58 53.16 2i85 n ASN 123 Cb 0.02 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i85 n GLN 124 N -1.07 3.01 -3.66 3.52 3.00 -1.26 -4.69 117.38 116.22 2i85 n GLN 124 Ca 0.01 -4.78 -0.09 0.00 -0.01 0.00 0.00 57.00 52.13 2i85 n GLN 124 Cb 0.05 -2.23 -0.10 0.00 0.00 0.00 0.00 30.24 27.96 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2i85 s GLU 125 N -3.19 0.30 0.06 -1.09 2.02 -1.26 -1.63 118.70 113.92 2i85 s GLU 125 Ca 0.46 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2i85 s GLU 125 Cb 0.25 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.73 2i85 s GLU 125 CO -0.11 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2i85 n GLY 126 N 5.30 -3.09 0.00 -1.39 0.00 0.13 -1.83 105.19 104.30 2i85 n GLY 126 Ca -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.21 -0.59 0.24 -0.02 0.00 -1.26 -3.84 105.19 98.52 2i85 n GLY 127 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 0.85 0.00 1.61 -1.51 -1.82 -2.27 116.25 113.10 2i85 h VAL 128 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2i85 h VAL 128 Cb 0.00 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2i85 h VAL 128 CO 0.00 0.15 0.27 0.00 -1.23 0.00 0.00 177.57 176.76 2i85 h GLN 130 N 0.00 0.07 0.00 0.00 4.15 -1.73 -3.35 115.11 114.25 2i85 h GLN 130 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2i85 h GLN 130 Cb 0.54 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 2i85 h GLN 130 CO 0.00 0.87 -0.44 -2.37 -1.93 0.00 0.00 178.83 174.96 2i85 n THR 131 N -3.28 0.00 0.00 2.39 5.66 -0.87 -4.87 114.28 113.31 2i85 n THR 131 Ca -0.10 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2i85 n THR 131 Cb 1.01 0.45 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 2i85 n THR 131 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2i85 n ARG 132 N 0.03 0.00 -3.38 1.09 0.00 0.36 -5.08 116.66 109.69 2i85 n ARG 132 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 2i85 n ARG 132 Cb 0.69 -0.33 0.06 0.00 0.00 0.00 0.00 32.46 32.89 2i85 n ARG 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i85 n ALA 133 N -0.96 -2.46 -2.16 5.13 0.00 -0.84 -4.51 120.51 114.71 2i85 n ALA 133 Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2i85 n ALA 133 Cb 0.00 -5.09 -0.04 0.00 0.00 0.00 0.00 19.45 14.32 2i85 n ALA 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2i85 s MET 134 N -4.88 2.78 0.21 0.00 1.75 -1.26 -3.94 119.30 113.97 2i85 s MET 134 Ca 0.42 -0.13 -0.07 0.00 -1.25 0.00 0.00 55.69 54.66 2i85 s MET 134 Cb -0.08 -4.82 -0.02 0.00 2.84 0.00 0.00 34.83 32.75 2i85 s MET 134 CO 0.77 -2.91 0.29 -1.59 -0.65 0.00 0.00 175.02 170.93 2i85 s LYS 135 N 6.62 1.32 -0.01 4.11 -2.85 -1.21 -1.68 119.74 126.03 2i85 s LYS 135 Ca 0.63 -1.40 0.01 0.00 -1.00 0.00 0.00 55.97 54.21 2i85 s LYS 135 Cb -0.08 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2i85 s LYS 135 CO 0.06 -0.49 -0.04 0.96 0.10 0.00 0.00 175.35 175.94 2i85 s ILE 136 N -4.07 0.36 -0.23 3.79 -4.36 -1.19 -2.51 121.20 112.99 2i85 s ILE 136 Ca 0.28 -0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 60.33 2i85 s ILE 136 Cb 0.03 -0.32 -0.03 0.00 1.25 0.00 0.00 42.46 43.39 2i85 s ILE 136 CO 0.08 0.12 0.49 -0.22 0.24 0.00 0.00 174.94 175.65 2i85 s LEU 137 N 0.09 4.10 -0.36 0.37 2.96 -0.97 -1.75 118.68 123.12 2i85 s LEU 137 Ca -0.01 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2i85 s LEU 137 Cb -0.04 -2.65 0.12 0.00 0.50 0.00 0.00 46.19 44.12 2i85 s LEU 137 CO -0.00 -0.21 0.17 -0.32 -1.32 0.00 0.00 176.35 174.67 2i85 s MET 138 N 1.88 0.81 0.22 1.98 1.75 -0.58 -1.48 119.30 123.88 2i85 s MET 138 Ca 0.22 -1.37 -0.07 0.00 -1.25 0.00 0.00 55.69 53.22 2i85 s MET 138 Cb -0.15 -1.88 -0.06 0.00 2.84 0.00 0.00 34.83 35.57 2i85 s MET 138 CO 0.09 -1.09 0.50 0.21 -0.65 0.00 0.00 175.02 174.08 2i85 s LYS 139 N 1.15 3.71 -0.12 4.11 2.36 -1.26 -0.77 119.74 128.92 2i85 s LYS 139 Ca 0.14 0.11 -0.01 0.00 -2.55 0.00 0.00 55.97 53.66 2i85 s LYS 139 Cb -0.21 -2.70 0.03 0.00 -1.05 0.00 0.00 37.83 33.90 2i85 s LYS 139 CO -0.13 0.34 -0.04 0.08 1.55 0.00 0.00 175.35 177.15 2i85 s VAL 140 N -1.83 0.84 0.00 4.02 1.01 -0.28 -4.19 120.40 119.96 2i85 s VAL 140 Ca 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2i85 s VAL 140 Cb -0.11 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2i85 s VAL 140 CO 0.24 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2i85 n GLY 141 N 4.99 3.06 0.00 4.51 0.00 -1.26 -1.12 105.19 115.37 2i85 n GLY 141 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2i85 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93