#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3i s ALA 2 N 0.00 2.78 -0.04 -5.12 0.00 -1.26 -4.77 121.76 113.34 2k3i s ALA 2 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2k3i s ALA 2 Cb 0.00 -4.11 -0.10 0.00 0.00 0.00 0.00 23.12 18.91 2k3i s ALA 2 CO 0.00 -2.98 0.09 0.00 0.00 0.00 0.00 175.76 172.87 2k3i n MET 3 N 8.69 1.66 -3.74 0.00 0.00 -1.26 -4.98 117.12 117.48 2k3i n MET 3 Ca 0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 57.70 57.59 2k3i n MET 3 Cb 0.49 -1.17 -0.18 0.00 0.00 0.00 0.00 33.22 32.37 2k3i n MET 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k3i s LYS 4 N -2.32 0.22 -0.18 3.17 1.02 -1.26 -5.12 119.74 115.26 2k3i s LYS 4 Ca -0.03 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 2k3i s LYS 4 Cb 0.03 -0.66 0.08 0.00 -0.52 0.00 0.00 37.83 36.76 2k3i s LYS 4 CO 0.29 -0.29 0.40 0.34 -0.92 0.00 0.00 175.35 175.17 2k3i s ASP 5 N 1.91 -0.26 -0.01 2.83 -1.08 -1.26 -5.16 116.67 113.64 2k3i s ASP 5 Ca 0.03 0.92 -0.08 0.00 -0.52 0.00 0.00 52.55 52.90 2k3i s ASP 5 Cb -0.12 1.12 0.00 0.00 -1.46 0.00 0.00 42.92 42.46 2k3i s ASP 5 CO -0.04 -0.22 0.15 0.68 0.52 0.00 0.00 175.17 176.26 2k3i s VAL 6 N 2.27 0.07 -0.47 1.11 -7.23 -1.26 -5.11 120.40 109.78 2k3i s VAL 6 Ca -0.03 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 2k3i s VAL 6 Cb -0.11 -0.42 0.14 0.00 0.56 0.00 0.00 36.38 36.55 2k3i s VAL 6 CO -0.12 -0.33 0.28 0.54 -0.31 0.00 0.00 175.10 175.15 2k3i s VAL 7 N -1.22 1.57 -0.44 1.32 0.11 -1.26 -4.93 120.40 115.55 2k3i s VAL 7 Ca -0.13 -2.82 0.08 0.00 -2.93 0.00 0.00 61.98 56.18 2k3i s VAL 7 Cb -0.07 -2.09 0.21 0.00 -1.53 0.00 0.00 36.38 32.91 2k3i s VAL 7 CO 0.02 -0.93 1.17 -0.90 -3.33 0.00 0.00 175.10 171.12 2k3i n ASP 8 N 3.26 2.63 -4.26 3.54 5.68 -1.26 -4.90 116.55 121.24 2k3i n ASP 8 Ca 0.12 -2.19 -0.38 0.00 -0.50 0.00 0.00 54.79 51.84 2k3i n ASP 8 Cb 0.36 -0.19 -0.12 0.00 -1.14 0.00 0.00 41.12 40.03 2k3i n ASP 8 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2k3i s LYS 9 N -1.33 2.56 -0.33 0.11 2.36 -1.26 -5.01 119.74 116.85 2k3i s LYS 9 Ca 0.17 -1.32 0.00 0.00 -2.55 0.00 0.00 55.97 52.28 2k3i s LYS 9 Cb 0.11 -3.57 0.14 0.00 -1.05 0.00 0.00 37.83 33.46 2k3i s LYS 9 CO 0.08 -0.79 0.29 0.00 1.55 0.00 0.00 175.35 176.48 2k3i s SER 11 N 1.78 5.11 -0.29 0.00 0.15 -1.26 -5.07 113.70 114.12 2k3i s SER 11 Ca 0.13 -1.75 -0.16 0.00 0.70 0.00 0.00 55.95 54.88 2k3i s SER 11 Cb -0.16 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2k3i s SER 11 CO -0.17 -0.43 0.40 -0.89 1.20 0.00 0.00 173.24 173.35 2k3i s THR 12 N 1.17 5.14 0.28 6.45 2.01 -1.26 -5.04 115.64 124.40 2k3i s THR 12 Ca 0.04 0.46 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 2k3i s THR 12 Cb -0.21 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.55 2k3i s THR 12 CO -0.03 0.06 0.71 -1.59 -0.69 0.00 0.00 174.62 173.08 2k3i s LYS 13 N 2.12 1.78 0.00 4.92 -2.85 -1.26 -5.13 119.74 119.32 2k3i s LYS 13 Ca 0.15 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2k3i s LYS 13 Cb -0.16 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 2k3i s LYS 13 CO 0.11 -0.81 0.00 0.41 0.10 0.00 0.00 175.35 175.15 2k3i n GLY 14 N -0.46 -0.40 3.22 0.59 0.00 -1.26 -5.06 105.19 101.83 2k3i n GLY 14 Ca -0.04 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2k3i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i s ALA 16 N 1.33 3.12 -0.45 0.00 0.00 -1.26 -5.10 121.76 119.40 2k3i s ALA 16 Ca -0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 2k3i s ALA 16 Cb -0.20 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.62 2k3i s ALA 16 CO 0.01 -0.30 1.07 -1.50 0.00 0.00 0.00 175.76 175.04 2k3i s ILE 17 N -3.15 4.32 -0.43 0.00 2.07 -1.26 -4.99 121.20 117.75 2k3i s ILE 17 Ca 0.21 1.20 -0.13 0.00 -1.41 0.00 0.00 60.65 60.52 2k3i s ILE 17 Cb 0.02 -4.53 0.06 0.00 0.13 0.00 0.00 42.46 38.14 2k3i s ILE 17 CO 0.13 -0.87 0.32 -0.62 -1.91 0.00 0.00 174.94 171.98 2k3i s ASP 18 N 2.28 5.94 0.37 4.50 2.15 -1.26 -4.93 116.67 125.71 2k3i s ASP 18 Ca 0.45 -1.28 0.05 0.00 0.43 0.00 0.00 52.55 52.20 2k3i s ASP 18 Cb -0.09 -2.10 0.70 0.00 -0.30 0.00 0.00 42.92 41.14 2k3i s ASP 18 CO 0.28 -0.55 1.98 0.40 -0.17 0.00 0.00 175.17 177.10 2k3i h ILE 19 N 5.85 1.15 0.00 4.11 1.08 -1.94 -3.46 117.51 124.30 2k3i h ILE 19 Ca -0.26 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2k3i h ILE 19 Cb 1.10 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2k3i h ILE 19 CO 0.79 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 179.04 2k3i n GLY 20 N -1.26 1.82 0.04 5.37 0.00 -1.26 -4.21 105.19 105.70 2k3i n GLY 20 Ca 0.03 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2k3i n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3i n THR 21 N 0.00 0.29 -3.65 2.61 -1.04 -1.26 -4.23 114.28 107.00 2k3i n THR 21 Ca 0.00 -0.09 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 2k3i n THR 21 Cb 0.00 -0.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.82 2k3i n THR 21 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k3i s VAL 22 N -3.05 1.36 -0.08 12.58 1.01 -1.26 -5.07 120.40 125.88 2k3i s VAL 22 Ca 0.12 -2.91 0.01 0.00 0.00 0.00 0.00 61.98 59.20 2k3i s VAL 22 Cb 0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.63 2k3i s VAL 22 CO 0.54 -1.02 -0.11 -0.63 0.00 0.00 0.00 175.10 173.88 2k3i s ILE 23 N -0.09 1.15 0.00 2.22 1.09 -1.26 -4.81 121.20 119.49 2k3i s ILE 23 Ca 0.24 -0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 2k3i s ILE 23 Cb -0.12 -1.08 0.00 0.00 -1.06 0.00 0.00 42.46 40.20 2k3i s ILE 23 CO -0.09 0.37 0.00 -0.67 -0.10 0.00 0.00 174.94 174.45 2k3i n ASP 24 N 4.19 1.17 -2.26 3.58 -0.08 -1.26 -5.09 116.55 116.80 2k3i n ASP 24 Ca -0.20 -0.32 -0.02 0.00 -1.51 0.00 0.00 54.79 52.75 2k3i n ASP 24 Cb 0.51 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.05 2k3i n ASP 24 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k3i n ASN 25 N -0.59 -0.96 -4.51 1.67 6.94 -1.26 -4.97 115.26 111.58 2k3i n ASN 25 Ca 0.00 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.36 2k3i n ASN 25 Cb 0.00 0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.86 2k3i n ASN 25 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2k3i s ASP 26 N -0.71 6.30 0.25 0.53 2.15 -1.26 -4.87 116.67 119.06 2k3i s ASP 26 Ca 0.06 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.00 2k3i s ASP 26 Cb 0.28 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2k3i s ASP 26 CO -0.08 -1.54 0.00 -3.20 -0.17 0.00 0.00 175.17 170.18 2k3i n ASN 27 N 8.37 -3.31 -0.31 -0.34 2.85 -1.26 -4.70 115.26 116.56 2k3i n ASN 27 Ca 0.10 0.58 0.12 0.00 -0.11 0.00 0.00 54.58 55.26 2k3i n ASN 27 Cb 0.48 -2.04 0.11 0.00 1.24 0.00 0.00 39.78 39.56 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3i s THR 29 N -2.60 3.81 -0.31 0.00 2.01 -1.26 -3.09 115.64 114.19 2k3i s THR 29 Ca 0.18 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 2k3i s THR 29 Cb 0.18 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2k3i s THR 29 CO 0.61 0.48 0.32 -0.55 -0.69 0.00 0.00 174.62 174.79 2k3i s SER 30 N 0.54 6.15 -0.36 3.53 0.15 0.11 -4.87 113.70 118.97 2k3i s SER 30 Ca -0.03 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.43 2k3i s SER 30 Cb -0.14 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2k3i s SER 30 CO 0.03 -0.23 0.24 -0.54 1.20 0.00 0.00 173.24 173.94 2k3i s LYS 31 N 1.95 3.25 -0.18 5.44 -0.14 -1.26 -0.17 119.74 128.63 2k3i s LYS 31 Ca 0.11 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2k3i s LYS 31 Cb -0.16 -3.81 0.01 0.00 -1.68 0.00 0.00 37.83 32.18 2k3i s LYS 31 CO 0.11 -0.55 -0.14 0.12 -0.76 0.00 0.00 175.35 174.13 2k3i s PHE 32 N 1.68 2.83 -0.11 3.18 5.36 0.85 -4.97 117.98 126.80 2k3i s PHE 32 Ca 0.05 -1.26 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 2k3i s PHE 32 Cb -0.18 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2k3i s PHE 32 CO 0.09 -0.64 -0.11 -1.54 -1.46 0.00 0.00 175.22 171.56 2k3i s SER 33 N 1.21 2.29 -0.00 6.13 1.04 -1.26 0.30 113.70 123.42 2k3i s SER 33 Ca 0.02 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 2k3i s SER 33 Cb -0.14 -0.97 -0.00 0.00 0.10 0.00 0.00 66.02 65.01 2k3i s SER 33 CO -0.06 -0.06 0.03 -0.13 0.98 0.00 0.00 173.24 174.00 2k3i s ARG 34 N 1.37 0.20 -0.17 4.02 1.81 -0.53 -4.99 118.95 120.65 2k3i s ARG 34 Ca 0.00 -0.23 -0.06 0.00 -1.72 0.00 0.00 55.73 53.71 2k3i s ARG 34 Cb -0.13 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 2k3i s ARG 34 CO -0.06 -0.03 0.04 -0.06 -0.68 0.00 0.00 175.30 174.50 2k3i s PHE 35 N -0.67 3.20 0.22 -0.53 0.08 -1.26 0.17 117.98 119.18 2k3i s PHE 35 Ca -0.07 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.98 2k3i s PHE 35 Cb -0.05 -2.05 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2k3i s PHE 35 CO -0.00 0.12 0.04 1.19 -0.10 0.00 0.00 175.22 176.47 2k3i n PHE 36 N 3.51 0.27 0.00 0.36 3.72 0.46 -4.91 117.46 120.87 2k3i n PHE 36 Ca -0.17 -1.25 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 2k3i n PHE 36 Cb 0.52 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2k3i n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k3i n ALA 37 N -2.12 -0.08 -2.46 4.37 0.00 -1.26 0.32 120.51 119.27 2k3i n ALA 37 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 2k3i n ALA 37 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2k3i n ALA 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k3i s THR 38 N -1.30 2.86 0.55 0.00 -4.23 -1.26 -3.10 115.64 109.16 2k3i s THR 38 Ca 0.00 -1.63 0.24 0.00 -1.18 0.00 0.00 61.69 59.12 2k3i s THR 38 Cb 0.00 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.19 2k3i s THR 38 CO 0.00 -0.12 2.09 0.08 -0.54 0.00 0.00 174.62 176.13 2k3i h ARG 39 N 1.44 0.00 -0.36 3.99 0.11 -1.94 -1.42 114.38 116.21 2k3i h ARG 39 Ca -0.43 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.54 2k3i h ARG 39 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2k3i h ARG 39 CO 0.63 0.00 -0.18 0.93 0.10 0.00 0.00 179.97 181.46 2k3i h GLU 40 N 0.00 0.75 -0.66 0.08 5.08 -1.99 -1.38 114.58 116.46 2k3i h GLU 40 Ca 0.11 -0.33 0.13 0.00 -1.00 0.00 0.00 59.36 58.26 2k3i h GLU 40 Cb 0.47 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2k3i h GLU 40 CO -0.00 0.94 0.45 0.93 -1.00 0.00 0.00 179.01 180.33 2k3i h GLU 41 N 0.53 0.34 -0.01 2.33 4.39 -1.65 0.16 114.58 120.67 2k3i h GLU 41 Ca 0.08 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2k3i h GLU 41 Cb 0.72 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2k3i h GLU 41 CO 0.05 0.23 -0.13 0.00 -1.16 0.00 0.00 179.01 178.00 2k3i h ALA 42 N 1.68 0.03 -0.74 3.43 0.00 -1.21 -2.48 119.26 119.97 2k3i h ALA 42 Ca 0.32 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2k3i h ALA 42 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2k3i h ALA 42 CO -0.08 -0.02 0.43 0.93 0.00 0.00 0.00 179.25 180.51 2k3i h GLU 43 N -0.58 0.75 -0.06 0.00 4.39 -0.75 -1.67 114.58 116.65 2k3i h GLU 43 Ca -0.01 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2k3i h GLU 43 Cb 0.86 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2k3i h GLU 43 CO 0.03 0.50 -0.23 0.77 -1.16 0.00 0.00 179.01 178.92 2k3i h SER 44 N 0.77 0.10 0.66 1.42 0.02 -0.72 -2.52 113.55 113.28 2k3i h SER 44 Ca 0.33 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 61.00 2k3i h SER 44 Cb 0.21 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k3i h SER 44 CO -0.19 0.33 -1.18 0.15 -1.14 0.00 0.00 176.83 174.80 2k3i h PHE 45 N 0.10 0.43 0.00 3.45 3.57 -0.89 -3.16 116.94 120.43 2k3i h PHE 45 Ca 0.02 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.17 2k3i h PHE 45 Cb 0.46 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2k3i h PHE 45 CO 0.00 1.23 -0.18 1.98 -2.23 0.00 0.00 178.31 179.11 2k3i h MET 46 N 0.07 0.00 -0.43 1.11 4.05 -0.98 -3.11 114.93 115.63 2k3i h MET 46 Ca -0.11 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2k3i h MET 46 Cb 1.91 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.67 2k3i h MET 46 CO 0.19 0.18 0.21 1.15 0.23 0.00 0.00 176.91 178.86 2k3i h THR 47 N 0.00 0.95 0.00 -0.77 2.02 -1.42 -1.37 112.91 112.32 2k3i h THR 47 Ca -0.00 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 2k3i h THR 47 Cb 0.52 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2k3i h THR 47 CO 0.02 0.08 -0.42 0.07 0.37 0.00 0.00 175.52 175.64 2k3i h LYS 48 N 0.41 0.00 0.00 6.66 2.10 -1.70 -2.44 116.57 121.60 2k3i h LYS 48 Ca 0.19 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.78 2k3i h LYS 48 Cb 0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2k3i h LYS 48 CO -0.15 0.42 -0.29 -0.07 -2.00 0.00 0.00 179.45 177.36 2k3i h LEU 49 N 0.00 0.00 -0.10 7.07 -0.00 -1.33 -2.46 115.31 118.48 2k3i h LEU 49 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2k3i h LEU 49 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 2k3i h LEU 49 CO 0.05 0.29 0.03 0.11 -0.00 0.00 0.00 178.44 178.93 2k3i h LYS 50 N 0.00 0.08 -0.44 1.13 6.56 -0.81 0.22 116.57 123.30 2k3i h LYS 50 Ca -0.00 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2k3i h LYS 50 Cb 0.52 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2k3i h LYS 50 CO 0.04 0.05 0.27 0.93 -2.06 0.00 0.00 179.45 178.68 2k3i h GLU 51 N 0.08 0.60 -0.20 3.15 5.08 -1.53 -1.10 114.58 120.67 2k3i h GLU 51 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k3i h GLU 51 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2k3i h GLU 51 CO -0.05 0.44 0.04 -0.07 -1.00 0.00 0.00 179.01 178.37 2k3i h LEU 52 N 0.59 0.31 -1.07 1.33 3.38 -1.24 -2.44 115.31 116.17 2k3i h LEU 52 Ca 0.16 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2k3i h LEU 52 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k3i h LEU 52 CO -0.03 0.48 -0.13 0.00 0.09 0.00 0.00 178.44 178.85 2k3i h ALA 53 N 0.84 1.23 -0.16 1.53 0.00 -0.45 0.12 119.26 122.36 2k3i h ALA 53 Ca 0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2k3i h ALA 53 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k3i h ALA 53 CO 0.00 0.50 -0.36 0.00 0.00 0.00 0.00 179.25 179.40 2k3i h ALA 54 N 1.40 1.09 0.01 0.00 0.00 -1.08 -2.74 119.26 117.94 2k3i h ALA 54 Ca 0.09 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 2k3i h ALA 54 Cb 0.51 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2k3i h ALA 54 CO 0.03 0.58 -1.39 0.00 0.00 0.00 0.00 179.25 178.47 2k3i h ALA 55 N 1.34 0.54 -0.00 0.00 0.00 -0.99 -3.33 119.26 116.82 2k3i h ALA 55 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2k3i h ALA 55 Cb 0.77 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k3i h ALA 55 CO 0.06 1.40 -0.03 0.00 0.00 0.00 0.00 179.25 180.68 2k3i n ALA 56 N -2.48 2.64 -3.62 0.00 0.00 0.37 -4.56 120.51 112.87 2k3i n ALA 56 Ca -0.10 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 2k3i n ALA 56 Cb 1.00 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 2k3i n ALA 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k3i s SER 57 N -2.26 5.31 0.00 0.00 1.04 -1.04 -4.49 113.70 112.26 2k3i s SER 57 Ca 0.38 -1.75 0.19 0.00 0.48 0.00 0.00 55.95 55.24 2k3i s SER 57 Cb 0.21 -1.86 -0.08 0.00 0.10 0.00 0.00 66.02 64.40 2k3i s SER 57 CO 0.42 -0.50 0.89 -1.20 0.98 0.00 0.00 173.24 173.83 2k3i n SER 58 N 4.70 1.46 -0.07 7.02 7.64 -1.26 -4.30 113.62 128.79 2k3i n SER 58 Ca -0.06 -1.23 -0.09 0.00 1.01 0.00 0.00 58.87 58.50 2k3i n SER 58 Cb 0.42 0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 64.28 2k3i n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3i h ALA 59 N 3.02 0.33 -3.00 -0.43 0.00 -1.98 -3.48 119.26 113.71 2k3i h ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3i h ALA 59 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3i h ALA 59 CO 0.00 -0.25 0.00 -3.47 0.00 0.00 0.00 179.25 175.53 2k3i n ASP 60 N -4.96 0.00 0.00 0.00 2.03 -1.26 -4.97 116.55 107.39 2k3i n ASP 60 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k3i n ASP 60 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k3i n GLU 61 N -0.15 0.00 -1.42 -0.67 1.02 -1.26 -4.98 120.64 113.18 2k3i n GLU 61 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2k3i n GLU 61 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2k3i n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3i n GLY 62 N 0.00 4.38 3.64 0.62 0.00 -1.26 -4.87 105.19 107.71 2k3i n GLY 62 Ca 0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2k3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i s ALA 63 N 1.78 3.58 -0.55 4.61 0.00 -1.26 -3.94 121.76 125.99 2k3i s ALA 63 Ca 0.67 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 2k3i s ALA 63 Cb 0.18 -2.41 0.12 0.00 0.00 0.00 0.00 23.12 21.01 2k3i s ALA 63 CO -0.07 -0.31 0.55 -1.12 0.00 0.00 0.00 175.76 174.81 2k3i s SER 64 N 1.25 6.19 -0.33 0.00 0.01 0.66 -4.93 113.70 116.55 2k3i s SER 64 Ca 0.09 -1.65 -0.12 0.00 1.31 0.00 0.00 55.95 55.58 2k3i s SER 64 Cb -0.14 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2k3i s SER 64 CO 0.07 -0.91 0.23 0.54 0.41 0.00 0.00 173.24 173.57 2k3i s VAL 65 N 1.89 5.21 -0.48 3.43 0.11 -1.26 -0.04 120.40 129.27 2k3i s VAL 65 Ca 0.05 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 2k3i s VAL 65 Cb -0.28 -3.65 0.13 0.00 -1.53 0.00 0.00 36.38 31.04 2k3i s VAL 65 CO 0.04 0.03 0.26 0.00 -3.33 0.00 0.00 175.10 172.10 2k3i s ALA 66 N 1.71 3.27 -0.03 1.54 0.00 0.44 -4.94 121.76 123.75 2k3i s ALA 66 Ca 0.06 -2.82 0.06 0.00 0.00 0.00 0.00 51.96 49.26 2k3i s ALA 66 Cb -0.17 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2k3i s ALA 66 CO 0.10 -1.90 -0.21 1.52 0.00 0.00 0.00 175.76 175.26 2k3i s TYR 67 N 0.63 2.48 0.18 0.00 1.13 -1.26 -1.56 117.35 118.95 2k3i s TYR 67 Ca 0.12 -0.36 0.09 0.00 -1.41 0.00 0.00 57.07 55.51 2k3i s TYR 67 Cb -0.22 -1.56 -0.04 0.00 -1.10 0.00 0.00 41.96 39.04 2k3i s TYR 67 CO -0.04 0.03 -0.14 -1.59 -2.51 0.00 0.00 175.55 171.30 2k3i s LYS 68 N -0.61 1.91 -0.37 -3.49 -2.85 0.11 -4.96 119.74 109.47 2k3i s LYS 68 Ca 0.09 -1.33 -0.03 0.00 -1.00 0.00 0.00 55.97 53.70 2k3i s LYS 68 Cb -0.11 -2.08 0.09 0.00 -2.06 0.00 0.00 37.83 33.67 2k3i s LYS 68 CO -0.00 0.43 0.15 0.42 0.10 0.00 0.00 175.35 176.44 2k3i s ILE 69 N -1.66 3.33 -0.65 3.79 1.01 -1.26 -1.24 121.20 124.51 2k3i s ILE 69 Ca 0.23 -1.74 -0.27 0.00 0.00 0.00 0.00 60.65 58.87 2k3i s ILE 69 Cb -0.09 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.29 2k3i s ILE 69 CO 0.14 -0.48 1.20 -0.75 0.00 0.00 0.00 174.94 175.05 2k3i s LYS 70 N 1.22 3.34 -0.50 2.79 2.47 0.82 -4.90 119.74 124.97 2k3i s LYS 70 Ca 0.03 -0.06 -0.29 0.00 -1.56 0.00 0.00 55.97 54.10 2k3i s LYS 70 Cb -0.22 -4.10 0.03 0.00 -1.46 0.00 0.00 37.83 32.08 2k3i s LYS 70 CO -0.02 -1.89 1.22 0.34 0.16 0.00 0.00 175.35 175.16 2k3i s ASP 71 N 3.34 6.50 0.43 1.43 -1.08 -1.26 -0.97 116.67 125.06 2k3i s ASP 71 Ca 0.37 0.40 0.06 0.00 -0.52 0.00 0.00 52.55 52.87 2k3i s ASP 71 Cb -0.09 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.76 2k3i s ASP 71 CO 0.20 -1.38 0.04 -0.76 0.52 0.00 0.00 175.17 173.78 2k3i s LEU 72 N 4.87 2.81 -0.55 -1.34 1.43 -0.71 -5.02 118.68 120.18 2k3i s LEU 72 Ca 0.49 -1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 2k3i s LEU 72 Cb -0.08 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.23 2k3i s LEU 72 CO 0.30 -0.54 0.99 -1.61 0.23 0.00 0.00 176.35 175.72 2k3i s GLU 73 N -3.77 3.39 0.00 1.70 8.01 -1.26 -3.52 118.70 123.24 2k3i s GLU 73 Ca 0.31 -0.12 0.00 0.00 0.01 0.00 0.00 54.97 55.17 2k3i s GLU 73 Cb 0.08 -4.03 0.00 0.00 -4.31 0.00 0.00 34.13 25.86 2k3i s GLU 73 CO 0.16 -1.50 0.00 0.41 0.01 0.00 0.00 175.26 174.34 2k3i n GLY 74 N 5.09 0.17 3.64 -1.39 0.00 -1.26 -5.01 105.19 106.43 2k3i n GLY 74 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2k3i n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k3i s GLN 75 N -0.97 0.98 0.06 1.61 -2.07 -1.21 -4.73 119.66 113.34 2k3i s GLN 75 Ca 0.00 -0.48 0.01 0.00 -1.82 0.00 0.00 55.36 53.08 2k3i s GLN 75 Cb 0.00 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 2k3i s GLN 75 CO 0.00 -0.44 -0.06 0.14 -1.32 0.00 0.00 175.29 173.60 2k3i s VAL 76 N -3.16 0.52 -0.31 3.63 -7.23 0.15 -1.73 120.40 112.27 2k3i s VAL 76 Ca 0.09 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 2k3i s VAL 76 Cb -0.01 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2k3i s VAL 76 CO -0.03 -0.64 0.13 -0.70 -0.31 0.00 0.00 175.10 173.56 2k3i s GLU 77 N -2.63 3.23 -0.45 4.82 2.12 -0.14 -0.40 118.70 125.25 2k3i s GLU 77 Ca -0.01 -0.79 -0.22 0.00 0.36 0.00 0.00 54.97 54.32 2k3i s GLU 77 Cb -0.03 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.89 2k3i s GLU 77 CO -0.03 -0.44 0.71 -1.17 -0.54 0.00 0.00 175.26 173.79 2k3i s LEU 78 N 1.57 4.40 -0.30 2.70 1.98 0.13 -0.12 118.68 129.03 2k3i s LEU 78 Ca 0.04 -0.26 -0.01 0.00 -2.89 0.00 0.00 54.13 51.00 2k3i s LEU 78 Cb -0.17 -2.82 0.06 0.00 0.66 0.00 0.00 46.19 43.92 2k3i s LEU 78 CO 0.05 -0.85 -0.00 -0.62 -1.89 0.00 0.00 176.35 173.04 2k3i s ASP 79 N 2.10 4.84 -0.03 3.68 -1.08 -0.37 -1.45 116.67 124.36 2k3i s ASP 79 Ca 0.26 -1.38 0.05 0.00 -0.52 0.00 0.00 52.55 50.95 2k3i s ASP 79 Cb -0.13 -1.69 -0.03 0.00 -1.46 0.00 0.00 42.92 39.61 2k3i s ASP 79 CO 0.20 -0.27 -0.15 0.00 0.52 0.00 0.00 175.17 175.47 2k3i s ALA 80 N 1.21 2.64 -0.21 3.66 0.00 0.15 0.05 121.76 129.25 2k3i s ALA 80 Ca -0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2k3i s ALA 80 Cb -0.20 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.08 2k3i s ALA 80 CO -0.02 0.56 0.00 0.00 0.00 0.00 0.00 175.76 176.30 2k3i s ALA 81 N -0.78 1.42 -0.36 0.00 0.00 -0.60 -0.11 121.76 121.32 2k3i s ALA 81 Ca 0.12 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2k3i s ALA 81 Cb -0.11 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.73 2k3i s ALA 81 CO 0.02 -1.20 0.21 -0.06 0.00 0.00 0.00 175.76 174.73 2k3i s PHE 82 N 1.66 3.23 -0.33 0.00 0.40 0.76 -0.42 117.98 123.28 2k3i s PHE 82 Ca -0.03 -0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 55.40 2k3i s PHE 82 Cb -0.18 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.90 2k3i s PHE 82 CO -0.08 -0.58 0.19 0.99 0.70 0.00 0.00 175.22 176.44 2k3i s THR 83 N 1.59 4.85 0.25 0.64 2.01 0.95 0.10 115.64 126.02 2k3i s THR 83 Ca 0.03 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2k3i s THR 83 Cb -0.19 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2k3i s THR 83 CO 0.07 0.02 0.35 -0.36 -0.69 0.00 0.00 174.62 174.01 2k3i s PHE 84 N 1.65 3.38 0.26 4.92 0.08 -1.18 -0.25 117.98 126.83 2k3i s PHE 84 Ca 0.05 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 2k3i s PHE 84 Cb -0.17 -1.59 0.33 0.00 -0.57 0.00 0.00 43.02 41.02 2k3i s PHE 84 CO 0.08 0.41 1.71 0.77 -0.10 0.00 0.00 175.22 178.09 2k3i h SER 85 N 1.18 0.65 -3.94 1.36 0.02 -1.91 -3.44 113.55 107.48 2k3i h SER 85 Ca -0.51 -0.20 -0.69 0.00 -0.84 0.00 0.00 61.79 59.55 2k3i h SER 85 Cb 1.23 -0.18 -0.22 0.00 0.14 0.00 0.00 62.40 63.38 2k3i h SER 85 CO 0.60 0.83 -0.85 0.00 -1.14 0.00 0.00 176.83 176.27 2k3i h GLN 87 N 4.05 0.00 -0.93 0.00 4.15 -1.88 -2.83 115.11 117.67 2k3i h GLN 87 Ca -0.50 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.02 2k3i h GLN 87 Cb 1.16 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 2k3i h GLN 87 CO 0.42 0.41 0.57 0.00 -1.93 0.00 0.00 178.83 178.29 2k3i h ALA 88 N 1.59 1.35 -0.15 3.38 0.00 -1.96 -0.73 119.26 122.75 2k3i h ALA 88 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k3i h ALA 88 Cb 0.77 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k3i h ALA 88 CO 0.05 0.21 -0.14 0.93 0.00 0.00 0.00 179.25 180.31 2k3i h GLU 89 N 0.94 0.23 0.04 0.00 4.39 -1.72 -2.00 114.58 116.47 2k3i h GLU 89 Ca 0.44 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 2k3i h GLU 89 Cb 0.37 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k3i h GLU 89 CO -0.24 0.38 -0.02 1.98 -1.16 0.00 0.00 179.01 179.95 2k3i h MET 90 N 0.22 -0.06 -0.51 2.33 4.05 -1.20 -2.50 114.93 117.26 2k3i h MET 90 Ca 0.05 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 2k3i h MET 90 Cb 0.38 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 2k3i h MET 90 CO 0.02 0.48 -0.05 -0.84 0.23 0.00 0.00 176.91 176.76 2k3i h ILE 91 N -0.64 1.26 0.00 1.77 3.07 -1.26 -0.19 117.51 121.52 2k3i h ILE 91 Ca -0.01 -1.14 -0.07 0.00 1.55 0.00 0.00 64.86 65.20 2k3i h ILE 91 Cb 0.57 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 2k3i h ILE 91 CO 0.01 0.40 -0.33 0.16 -1.05 0.00 0.00 178.15 177.34 2k3i h ILE 92 N 0.82 1.19 0.07 0.16 3.07 -1.45 -1.47 117.51 119.90 2k3i h ILE 92 Ca 0.15 -1.16 -0.00 0.00 1.55 0.00 0.00 64.86 65.39 2k3i h ILE 92 Cb 0.55 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2k3i h ILE 92 CO 0.03 0.33 -0.03 0.15 -1.05 0.00 0.00 178.15 177.58 2k3i h PHE 93 N 0.00 -0.09 -0.15 0.16 3.57 -0.84 -2.65 116.94 116.95 2k3i h PHE 93 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2k3i h PHE 93 Cb 0.61 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2k3i h PHE 93 CO 0.00 0.35 -0.32 1.05 -2.23 0.00 0.00 178.31 177.16 2k3i h GLU 94 N -0.55 0.29 -0.02 1.11 -0.00 -0.94 -2.11 114.58 112.37 2k3i h GLU 94 Ca -0.01 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.36 59.23 2k3i h GLU 94 Cb 0.47 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2k3i h GLU 94 CO 0.02 0.59 0.01 -0.07 -0.00 0.00 0.00 179.01 179.56 2k3i h LEU 95 N 0.26 0.02 -1.77 3.06 3.38 -1.33 -2.67 115.31 116.25 2k3i h LEU 95 Ca 0.03 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2k3i h LEU 95 Cb 0.70 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2k3i h LEU 95 CO 0.05 0.09 0.27 0.28 0.09 0.00 0.00 178.44 179.22 2k3i h SER 96 N -0.04 0.25 -0.19 -0.43 0.02 -1.11 -1.50 113.55 110.53 2k3i h SER 96 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2k3i h SER 96 Cb 0.07 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k3i h SER 96 CO -0.00 0.16 0.09 -0.07 -1.14 0.00 0.00 176.83 175.87 2k3i h LEU 97 N 0.28 0.26 -0.52 5.07 3.38 -1.06 -2.94 115.31 119.78 2k3i h LEU 97 Ca 0.17 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2k3i h LEU 97 Cb 0.32 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2k3i h LEU 97 CO -0.04 0.33 -0.45 0.03 0.09 0.00 0.00 178.44 178.40 2k3i h ARG 98 N 0.17 0.69 0.00 1.13 3.08 -1.06 -1.28 114.38 117.11 2k3i h ARG 98 Ca 0.07 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2k3i h ARG 98 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2k3i h ARG 98 CO -0.01 1.00 0.00 0.43 -1.07 0.00 0.00 179.97 180.32 2k3i n SER 99 N -4.01 0.00 0.04 7.04 7.64 -0.65 -2.58 113.62 121.10 2k3i n SER 99 Ca -0.02 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2k3i n SER 99 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2k3i n SER 99 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k3i n LEU 100 N -0.54 0.82 -1.91 -3.43 7.94 -0.98 -4.84 117.00 114.06 2k3i n LEU 100 Ca 0.02 0.13 -0.22 0.00 -1.11 0.00 0.00 56.01 54.83 2k3i n LEU 100 Cb 0.01 -0.23 0.11 0.00 0.53 0.00 0.00 43.42 43.84 2k3i n LEU 100 CO 0.01 -0.71 0.88 0.00 -1.11 0.00 0.00 177.39 176.46 2k3i n ALA 101 N -3.29 5.34 0.03 1.96 0.00 -0.52 -4.74 120.51 119.29 2k3i n ALA 101 Ca 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 53.44 49.93 2k3i n ALA 101 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 2k3i n ALA 101 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3i h LEU 102 N 1.65 -0.74 0.00 0.00 -0.00 -1.65 -3.45 115.31 111.12 2k3i h LEU 102 Ca 0.44 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 2k3i h LEU 102 Cb 1.50 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 42.47 2k3i h LEU 102 CO 0.97 -0.30 0.00 -0.62 -0.00 0.00 0.00 178.44 178.49 2k3i n GLU 103 N -5.37 0.00 -2.63 0.17 1.02 -1.26 -4.72 120.64 107.85 2k3i n GLU 103 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 2k3i n GLU 103 Cb 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.67 2k3i n GLU 103 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k3i s HIS 104 N 0.00 3.46 0.41 -0.32 5.04 -1.26 -5.03 115.29 117.59 2k3i s HIS 104 Ca 0.00 1.51 -0.13 0.00 -1.54 0.00 0.00 55.06 54.91 2k3i s HIS 104 Cb 0.00 -3.24 -0.07 0.00 0.04 0.00 0.00 32.58 29.31 2k3i s HIS 104 CO 0.00 -0.48 0.80 -3.38 -2.34 0.00 0.00 174.74 169.34 2k3i s HIS 105 N 1.83 3.44 -0.30 3.88 -3.43 -1.26 -5.08 115.29 114.38 2k3i s HIS 105 Ca 0.51 1.17 -0.12 0.00 -0.80 0.00 0.00 55.06 55.82 2k3i s HIS 105 Cb -0.21 -2.53 0.12 0.00 -1.43 0.00 0.00 32.58 28.54 2k3i s HIS 105 CO 0.21 -0.11 0.70 -1.58 -2.00 0.00 0.00 174.74 171.96 2k3i s HIS 106 N -2.33 -1.21 -0.32 0.38 5.04 -1.26 -5.12 115.29 110.46 2k3i s HIS 106 Ca 0.53 2.16 0.00 0.00 -1.54 0.00 0.00 55.06 56.22 2k3i s HIS 106 Cb -0.10 0.73 0.14 0.00 0.04 0.00 0.00 32.58 33.38 2k3i s HIS 106 CO 0.28 -0.60 0.28 -3.38 -2.34 0.00 0.00 174.74 168.98 2k3i s HIS 107 N 2.56 -0.13 -0.29 3.88 -3.43 -1.26 -5.10 115.29 111.51 2k3i s HIS 107 Ca -0.07 -0.68 -0.13 0.00 -0.80 0.00 0.00 55.06 53.39 2k3i s HIS 107 Cb -0.10 -0.57 0.12 0.00 -1.43 0.00 0.00 32.58 30.60 2k3i s HIS 107 CO -0.19 -0.91 0.72 -1.58 -2.00 0.00 0.00 174.74 170.78 2k3i s HIS 108 N 1.86 -1.14 -0.90 0.38 5.04 -1.26 -5.36 115.29 113.91 2k3i s HIS 108 Ca 0.13 2.07 0.07 0.00 -1.54 0.00 0.00 55.06 55.79 2k3i s HIS 108 Cb -0.16 0.68 0.06 0.00 0.04 0.00 0.00 32.58 33.20 2k3i s HIS 108 CO -0.20 -0.57 0.73 0.72 -2.34 0.00 0.00 174.74 173.08