#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 2.33 0.00 -5.12 0.00 -1.26 -5.00 121.76 112.71 2k3i s ALA 2 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2k3i s ALA 2 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2k3i s ALA 2 CO 0.00 0.52 0.00 -1.33 0.00 0.00 0.00 175.76 174.95 2k3i n MET 3 N 2.49 2.22 -3.23 0.00 2.81 -1.26 -5.04 117.12 115.11 2k3i n MET 3 Ca -0.17 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.29 2k3i n MET 3 Cb 0.52 -0.67 -0.07 0.00 -0.71 0.00 0.00 33.22 32.29 2k3i n MET 3 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k3i s LYS 4 N -1.11 3.09 -0.37 0.03 1.02 -1.26 -4.95 119.74 116.19 2k3i s LYS 4 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.04 2k3i s LYS 4 Cb 0.00 -4.08 0.15 0.00 -0.52 0.00 0.00 37.83 33.37 2k3i s LYS 4 CO 0.00 -1.12 0.28 0.34 -0.92 0.00 0.00 175.35 173.93 2k3i s ASP 5 N 2.53 2.23 -0.27 2.83 -1.08 -1.26 -5.11 116.67 116.54 2k3i s ASP 5 Ca 0.12 -2.11 -0.11 0.00 -0.52 0.00 0.00 52.55 49.93 2k3i s ASP 5 Cb -0.20 -0.10 0.10 0.00 -1.46 0.00 0.00 42.92 41.27 2k3i s ASP 5 CO 0.11 -0.28 0.61 0.54 0.52 0.00 0.00 175.17 176.67 2k3i s VAL 6 N 1.05 -0.57 -0.19 1.11 0.11 -1.26 -5.16 120.40 115.50 2k3i s VAL 6 Ca 0.20 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 2k3i s VAL 6 Cb -0.18 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2k3i s VAL 6 CO -0.02 0.01 0.52 0.54 -3.33 0.00 0.00 175.10 172.82 2k3i s VAL 7 N 2.36 0.00 -0.31 2.04 0.11 -1.26 -5.14 120.40 118.21 2k3i s VAL 7 Ca -0.07 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2k3i s VAL 7 Cb -0.10 -0.73 0.16 0.00 -1.53 0.00 0.00 36.38 34.18 2k3i s VAL 7 CO -0.18 -0.01 0.43 1.51 -3.33 0.00 0.00 175.10 173.52 2k3i s ASP 8 N 0.19 0.27 -0.38 3.54 -4.77 -1.26 -5.07 116.67 109.19 2k3i s ASP 8 Ca -0.01 -0.56 0.04 0.00 -3.30 0.00 0.00 52.55 48.72 2k3i s ASP 8 Cb -0.04 1.13 0.18 0.00 -1.09 0.00 0.00 42.92 43.11 2k3i s ASP 8 CO 0.01 -0.33 0.71 -0.75 0.70 0.00 0.00 175.17 175.52 2k3i s LYS 9 N 2.35 0.66 -0.12 2.11 2.20 -1.26 -5.01 119.74 120.67 2k3i s LYS 9 Ca 0.11 -0.14 0.16 0.00 -0.36 0.00 0.00 55.97 55.74 2k3i s LYS 9 Cb -0.12 0.10 0.28 0.00 -1.51 0.00 0.00 37.83 36.58 2k3i s LYS 9 CO -0.25 -0.98 1.14 0.00 -0.36 0.00 0.00 175.35 174.91 2k3i s SER 11 N -2.71 6.76 -0.12 0.00 0.01 -1.26 -4.87 113.70 111.51 2k3i s SER 11 Ca 0.29 -2.21 -0.08 0.00 1.31 0.00 0.00 55.95 55.26 2k3i s SER 11 Cb 0.26 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.98 2k3i s SER 11 CO 0.01 -1.22 0.30 0.28 0.41 0.00 0.00 173.24 173.02 2k3i s THR 12 N 4.15 -0.02 -0.12 1.44 -1.32 -1.26 -5.07 115.64 113.44 2k3i s THR 12 Ca 0.50 0.07 0.12 0.00 -1.21 0.00 0.00 61.69 61.17 2k3i s THR 12 Cb 0.02 -0.44 -0.17 0.00 -1.51 0.00 0.00 72.50 70.40 2k3i s THR 12 CO 0.02 0.03 0.07 1.17 -2.21 0.00 0.00 174.62 173.70 2k3i n LYS 13 N 3.65 1.71 -2.03 7.08 4.81 -1.26 -5.04 118.16 127.08 2k3i n LYS 13 Ca -0.19 -0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.21 2k3i n LYS 13 Cb 0.56 -1.34 0.01 0.00 0.02 0.00 0.00 35.03 34.28 2k3i n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3i n GLY 14 N 2.14 0.45 0.15 3.14 0.00 -1.26 -4.96 105.19 104.84 2k3i n GLY 14 Ca -0.20 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.44 3.56 -0.69 0.00 0.00 -1.26 -5.02 121.76 114.92 2k3i s ALA 16 Ca -0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 2k3i s ALA 16 Cb 0.11 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.73 2k3i s ALA 16 CO 0.74 0.15 1.50 0.96 0.00 0.00 0.00 175.76 179.11 2k3i s ILE 17 N 0.14 3.58 -0.05 0.00 -4.36 -1.26 -4.96 121.20 114.29 2k3i s ILE 17 Ca 0.23 0.34 0.03 0.00 -0.26 0.00 0.00 60.65 60.99 2k3i s ILE 17 Cb -0.15 -4.53 0.00 0.00 1.25 0.00 0.00 42.46 39.03 2k3i s ILE 17 CO 0.09 -1.48 -0.14 -0.62 0.24 0.00 0.00 174.94 173.04 2k3i s ASP 18 N 5.40 1.82 0.41 4.36 2.15 -1.26 -4.89 116.67 124.67 2k3i s ASP 18 Ca 0.48 -0.30 0.24 0.00 0.43 0.00 0.00 52.55 53.40 2k3i s ASP 18 Cb -0.10 -0.64 0.52 0.00 -0.30 0.00 0.00 42.92 42.40 2k3i s ASP 18 CO 0.17 0.09 1.67 0.40 -0.17 0.00 0.00 175.17 177.34 2k3i h ILE 19 N 5.56 0.00 0.00 4.11 2.04 -1.96 -3.46 117.51 123.80 2k3i h ILE 19 Ca -0.32 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2k3i h ILE 19 Cb 1.18 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2k3i h ILE 19 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.24 2k3i n GLY 20 N 1.01 1.87 4.01 5.37 0.00 -1.26 -5.11 105.19 111.08 2k3i n GLY 20 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2k3i n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3i s THR 21 N -2.00 2.68 0.93 2.61 2.01 -1.26 -5.11 115.64 115.50 2k3i s THR 21 Ca 0.00 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 2k3i s THR 21 Cb 0.00 -2.75 0.15 0.00 0.01 0.00 0.00 72.50 69.91 2k3i s THR 21 CO 0.00 0.00 1.13 0.68 -0.69 0.00 0.00 174.62 175.74 2k3i s VAL 22 N -2.54 2.05 -0.16 3.82 -7.23 -1.26 -5.05 120.40 110.03 2k3i s VAL 22 Ca 0.58 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.71 2k3i s VAL 22 Cb -0.09 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2k3i s VAL 22 CO 0.36 -0.02 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.50 2k3i s ILE 23 N -3.21 4.21 -0.25 -0.62 1.09 -1.26 -5.02 121.20 116.14 2k3i s ILE 23 Ca 0.64 -0.25 -0.27 0.00 -1.10 0.00 0.00 60.65 59.68 2k3i s ILE 23 Cb -0.16 -2.86 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 2k3i s ILE 23 CO 0.54 0.49 0.93 -0.62 -0.10 0.00 0.00 174.94 176.18 2k3i s ASP 24 N 0.30 6.93 -0.31 3.58 2.15 -1.26 -5.02 116.67 123.04 2k3i s ASP 24 Ca -0.01 1.14 -0.06 0.00 0.43 0.00 0.00 52.55 54.05 2k3i s ASP 24 Cb -0.13 -2.48 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2k3i s ASP 24 CO 0.02 -0.61 0.07 0.21 -0.17 0.00 0.00 175.17 174.69 2k3i s ASN 25 N 1.33 5.10 0.00 -0.34 2.47 -1.26 -4.69 114.94 117.55 2k3i s ASN 25 Ca 0.39 -0.91 0.00 0.00 0.42 0.00 0.00 52.86 52.76 2k3i s ASN 25 Cb -0.15 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 2k3i s ASN 25 CO 0.08 -0.24 0.00 -0.67 -3.72 0.00 0.00 177.10 172.55 2k3i n ASP 26 N 4.82 0.00 -4.10 -4.21 2.03 -1.26 -5.16 116.55 108.67 2k3i n ASP 26 Ca -0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.90 2k3i n ASP 26 Cb 0.46 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 2k3i n ASP 26 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k3i n ASN 27 N 0.00 1.94 0.00 1.67 3.02 -1.26 -5.04 115.26 115.59 2k3i n ASN 27 Ca 0.00 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 2k3i n ASN 27 Cb 0.00 0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3i s THR 29 N -1.41 5.25 0.07 0.00 2.01 -1.26 -2.50 115.64 117.80 2k3i s THR 29 Ca 0.00 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 2k3i s THR 29 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2k3i s THR 29 CO 0.00 0.17 0.28 -0.55 -0.69 0.00 0.00 174.62 173.83 2k3i s SER 30 N 1.71 6.44 -0.22 3.53 0.15 0.02 -4.84 113.70 120.49 2k3i s SER 30 Ca 0.10 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.22 2k3i s SER 30 Cb -0.16 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2k3i s SER 30 CO 0.11 0.15 -0.11 -0.54 1.20 0.00 0.00 173.24 174.05 2k3i s LYS 31 N -2.36 2.16 -0.30 5.44 3.01 -1.26 0.21 119.74 126.64 2k3i s LYS 31 Ca 0.35 -1.02 -0.10 0.00 -1.01 0.00 0.00 55.97 54.20 2k3i s LYS 31 Cb -0.13 -2.60 -0.01 0.00 -1.01 0.00 0.00 37.83 34.08 2k3i s LYS 31 CO 0.24 -0.47 0.15 0.12 0.51 0.00 0.00 175.35 175.90 2k3i s PHE 32 N 1.29 3.18 -0.09 3.18 5.36 -0.05 -4.89 117.98 125.96 2k3i s PHE 32 Ca -0.03 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 2k3i s PHE 32 Cb -0.17 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 2k3i s PHE 32 CO -0.08 -0.42 -0.14 -1.54 -1.46 0.00 0.00 175.22 171.59 2k3i s SER 33 N 1.63 4.01 -0.02 6.13 1.04 -1.25 -0.67 113.70 124.57 2k3i s SER 33 Ca 0.05 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 2k3i s SER 33 Cb -0.17 -1.21 0.01 0.00 0.10 0.00 0.00 66.02 64.75 2k3i s SER 33 CO 0.07 0.26 0.18 -0.13 0.98 0.00 0.00 173.24 174.60 2k3i s ARG 34 N -0.22 0.45 -0.20 4.02 1.81 0.47 -4.99 118.95 120.30 2k3i s ARG 34 Ca 0.01 -0.20 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 2k3i s ARG 34 Cb -0.13 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 2k3i s ARG 34 CO 0.03 -0.10 -0.00 -0.06 -0.68 0.00 0.00 175.30 174.48 2k3i s PHE 35 N -1.00 3.04 0.36 -0.53 0.08 -1.26 -1.15 117.98 117.51 2k3i s PHE 35 Ca -0.11 -0.46 0.09 0.00 0.12 0.00 0.00 56.93 56.57 2k3i s PHE 35 Cb -0.06 -2.08 -0.07 0.00 -0.57 0.00 0.00 43.02 40.24 2k3i s PHE 35 CO 0.02 -0.24 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.77 2k3i s PHE 36 N 0.99 2.43 0.16 0.36 0.08 -0.92 -4.92 117.98 116.15 2k3i s PHE 36 Ca 0.02 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.60 2k3i s PHE 36 Cb -0.14 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.77 2k3i s PHE 36 CO 0.02 0.55 1.36 0.00 -0.10 0.00 0.00 175.22 177.05 2k3i h ALA 37 N 1.96 0.50 -2.75 5.36 0.00 -1.89 0.12 119.26 122.56 2k3i h ALA 37 Ca -0.42 -0.82 -0.37 0.00 0.00 0.00 0.00 54.91 53.30 2k3i h ALA 37 Cb 1.25 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 2k3i h ALA 37 CO 0.73 1.11 -0.74 0.95 0.00 0.00 0.00 179.25 181.30 2k3i s THR 38 N -2.95 1.15 0.49 0.00 -4.23 -1.26 -4.14 115.64 104.70 2k3i s THR 38 Ca 0.00 -1.72 0.25 0.00 -1.18 0.00 0.00 61.69 59.04 2k3i s THR 38 Cb 0.11 -1.49 0.29 0.00 1.34 0.00 0.00 72.50 72.74 2k3i s THR 38 CO 0.81 -0.51 2.12 -0.09 -0.54 0.00 0.00 174.62 176.41 2k3i h ARG 39 N 3.46 0.00 0.28 3.99 2.43 -1.92 -1.94 114.38 120.68 2k3i h ARG 39 Ca -0.38 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2k3i h ARG 39 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2k3i h ARG 39 CO 0.53 0.08 -0.18 0.93 -1.51 0.00 0.00 179.97 179.82 2k3i h GLU 40 N 0.00 -0.43 -0.84 0.20 5.08 -1.99 -1.03 114.58 115.57 2k3i h GLU 40 Ca -0.00 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.58 2k3i h GLU 40 Cb 0.19 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2k3i h GLU 40 CO 0.01 -0.29 0.56 0.93 -1.00 0.00 0.00 179.01 179.23 2k3i h GLU 41 N -0.45 0.34 0.10 2.33 4.39 -1.77 0.26 114.58 119.79 2k3i h GLU 41 Ca -0.03 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k3i h GLU 41 Cb 0.37 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k3i h GLU 41 CO 0.02 0.23 -0.05 0.00 -1.16 0.00 0.00 179.01 178.05 2k3i h ALA 42 N 1.62 -0.14 0.00 3.43 0.00 -1.02 -2.39 119.26 120.76 2k3i h ALA 42 Ca 0.43 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2k3i h ALA 42 Cb 1.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k3i h ALA 42 CO -0.14 -0.33 -0.23 0.93 0.00 0.00 0.00 179.25 179.49 2k3i h GLU 43 N -0.63 0.00 -0.13 0.00 5.08 -0.54 -2.14 114.58 116.22 2k3i h GLU 43 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 2k3i h GLU 43 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k3i h GLU 43 CO 0.02 0.23 -0.54 0.77 -1.00 0.00 0.00 179.01 178.49 2k3i h SER 44 N 0.00 0.41 1.06 1.42 0.02 -0.52 -3.01 113.55 112.93 2k3i h SER 44 Ca -0.00 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.60 2k3i h SER 44 Cb 0.76 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2k3i h SER 44 CO 0.03 0.87 -0.61 0.15 -1.14 0.00 0.00 176.83 176.13 2k3i h PHE 45 N 0.29 0.00 -0.28 3.45 3.57 -0.90 -2.96 116.94 120.10 2k3i h PHE 45 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k3i h PHE 45 Cb 1.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2k3i h PHE 45 CO 0.03 0.61 0.16 1.98 -2.23 0.00 0.00 178.31 178.86 2k3i h MET 46 N 0.00 0.38 0.01 1.11 4.05 -1.27 -2.43 114.93 116.77 2k3i h MET 46 Ca -0.01 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2k3i h MET 46 Cb 1.30 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.98 2k3i h MET 46 CO 0.08 0.28 -0.23 1.15 0.23 0.00 0.00 176.91 178.42 2k3i h THR 47 N 0.39 0.47 0.00 -0.77 2.02 -1.49 -0.52 112.91 113.00 2k3i h THR 47 Ca 0.10 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 2k3i h THR 47 Cb 0.01 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2k3i h THR 47 CO -0.02 0.00 -0.37 0.07 0.37 0.00 0.00 175.52 175.58 2k3i h LYS 48 N -0.36 0.00 -0.69 6.66 2.10 -1.61 -1.55 116.57 121.11 2k3i h LYS 48 Ca 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.69 2k3i h LYS 48 Cb 0.44 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 2k3i h LYS 48 CO -0.20 0.37 0.34 -0.07 -2.00 0.00 0.00 179.45 177.89 2k3i h LEU 49 N 0.00 0.90 -0.72 7.07 -0.00 -0.97 -0.15 115.31 121.44 2k3i h LEU 49 Ca -0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.71 2k3i h LEU 49 Cb 0.82 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 2k3i h LEU 49 CO 0.05 0.77 0.30 0.11 -0.00 0.00 0.00 178.44 179.67 2k3i h LYS 50 N 0.96 1.07 -0.58 1.13 1.79 -0.31 0.32 116.57 120.96 2k3i h LYS 50 Ca 0.24 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2k3i h LYS 50 Cb 0.11 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2k3i h LYS 50 CO -0.03 0.88 0.37 0.93 -1.08 0.00 0.00 179.45 180.51 2k3i h GLU 51 N 1.03 0.71 -0.25 3.15 5.08 -0.95 -1.68 114.58 121.66 2k3i h GLU 51 Ca 0.24 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 2k3i h GLU 51 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k3i h GLU 51 CO -0.02 0.47 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.89 2k3i h LEU 52 N 0.73 0.75 -1.05 1.33 3.38 -0.70 -3.12 115.31 116.63 2k3i h LEU 52 Ca 0.23 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2k3i h LEU 52 Cb -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2k3i h LEU 52 CO -0.08 1.11 0.50 0.00 0.09 0.00 0.00 178.44 180.06 2k3i h ALA 53 N 0.91 1.28 -0.03 1.53 0.00 0.01 -1.07 119.26 121.90 2k3i h ALA 53 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2k3i h ALA 53 Cb 1.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k3i h ALA 53 CO 0.10 0.61 -0.25 0.00 0.00 0.00 0.00 179.25 179.71 2k3i h ALA 54 N 1.38 1.53 0.03 0.00 0.00 -1.26 0.18 119.26 121.12 2k3i h ALA 54 Ca 0.30 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2k3i h ALA 54 Cb -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k3i h ALA 54 CO -0.05 0.35 -0.46 0.00 0.00 0.00 0.00 179.25 179.09 2k3i h ALA 55 N 1.71 0.02 0.05 0.00 0.00 -1.31 -3.37 119.26 116.34 2k3i h ALA 55 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k3i h ALA 55 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3i h ALA 55 CO 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 2k3i h ALA 56 N 0.22 -0.06 -3.03 0.00 0.00 -1.07 -3.42 119.26 111.89 2k3i h ALA 56 Ca -0.07 -0.21 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 2k3i h ALA 56 Cb 1.24 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.75 2k3i h ALA 56 CO 0.09 -0.32 -0.76 -1.54 0.00 0.00 0.00 179.25 176.72 2k3i s SER 57 N -5.56 3.95 0.00 0.00 1.04 0.61 -4.86 113.70 108.87 2k3i s SER 57 Ca -0.15 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2k3i s SER 57 Cb 0.02 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2k3i s SER 57 CO 0.65 -0.00 0.12 -1.20 0.98 0.00 0.00 173.24 173.78 2k3i n SER 58 N 4.67 0.00 -0.35 7.02 7.64 -1.26 -4.13 113.62 127.21 2k3i n SER 58 Ca -0.19 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2k3i n SER 58 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2k3i n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3i n ALA 59 N -1.56 0.00 -0.06 -0.43 0.00 -1.26 -2.39 120.51 114.81 2k3i n ALA 59 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2k3i n ALA 59 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2k3i n ALA 59 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k3i h ASP 60 N 0.00 -0.00 0.00 0.00 5.19 -2.02 -3.40 116.42 116.19 2k3i h ASP 60 Ca 0.00 -0.89 0.00 0.00 -0.62 0.00 0.00 57.03 55.52 2k3i h ASP 60 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k3i h ASP 60 CO 0.00 0.91 -0.19 -0.62 -3.12 0.00 0.00 179.24 176.22 2k3i n GLU 61 N -4.65 0.85 0.00 3.56 1.02 -1.26 -5.12 120.64 115.03 2k3i n GLU 61 Ca -0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 2k3i n GLU 61 Cb 0.43 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.61 -3.03 3.65 0.62 0.00 -1.00 -4.93 105.19 99.89 2k3i n GLY 62 Ca 0.06 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.20 0.81 0.30 4.61 0.00 -1.26 -4.83 121.76 120.19 2k3i s ALA 63 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 2k3i s ALA 63 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 2k3i s ALA 63 CO 0.00 -2.94 1.14 -1.12 0.00 0.00 0.00 175.76 172.85 2k3i s SER 64 N -3.21 7.10 -0.11 0.00 0.01 -0.96 -4.85 113.70 111.68 2k3i s SER 64 Ca 0.66 2.35 -0.02 0.00 1.31 0.00 0.00 55.95 60.25 2k3i s SER 64 Cb -0.20 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.44 2k3i s SER 64 CO 0.59 -0.27 0.02 0.54 0.41 0.00 0.00 173.24 174.53 2k3i s VAL 65 N -1.19 0.35 -0.31 3.43 0.11 -1.26 0.10 120.40 121.63 2k3i s VAL 65 Ca 0.47 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2k3i s VAL 65 Cb -0.33 -0.65 0.07 0.00 -1.53 0.00 0.00 36.38 33.94 2k3i s VAL 65 CO 0.43 0.08 -0.00 0.00 -3.33 0.00 0.00 175.10 172.28 2k3i s ALA 66 N 1.97 2.79 0.02 1.54 0.00 0.02 -4.95 121.76 123.14 2k3i s ALA 66 Ca 0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 2k3i s ALA 66 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2k3i s ALA 66 CO -0.06 -1.39 0.17 1.52 0.00 0.00 0.00 175.76 176.00 2k3i s TYR 67 N 1.12 3.47 -0.10 0.00 -0.85 -1.26 -0.66 117.35 119.08 2k3i s TYR 67 Ca -0.02 0.28 -0.02 0.00 -0.52 0.00 0.00 57.07 56.79 2k3i s TYR 67 Cb -0.20 -1.78 -0.03 0.00 0.38 0.00 0.00 41.96 40.33 2k3i s TYR 67 CO -0.04 0.61 0.01 0.15 -1.52 0.00 0.00 175.55 174.75 2k3i s LYS 68 N -2.12 3.09 -0.26 -3.49 1.02 0.20 -4.95 119.74 113.22 2k3i s LYS 68 Ca 0.29 -0.40 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2k3i s LYS 68 Cb -0.13 -2.84 0.09 0.00 -0.52 0.00 0.00 37.83 34.43 2k3i s LYS 68 CO 0.21 0.66 0.08 0.42 -0.92 0.00 0.00 175.35 175.81 2k3i s ILE 69 N -0.76 0.52 -0.27 2.17 1.01 -1.25 -2.01 121.20 120.62 2k3i s ILE 69 Ca 0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 2k3i s ILE 69 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2k3i s ILE 69 CO 0.02 -0.52 0.10 -0.75 0.00 0.00 0.00 174.94 173.79 2k3i s LYS 70 N 1.82 3.63 -0.83 2.79 2.20 -0.85 -4.95 119.74 123.54 2k3i s LYS 70 Ca 0.06 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 2k3i s LYS 70 Cb -0.17 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2k3i s LYS 70 CO -0.22 -0.23 1.29 -0.51 -0.36 0.00 0.00 175.35 175.32 2k3i s ASP 71 N 1.63 6.30 0.49 1.43 1.01 -1.26 -1.91 116.67 124.35 2k3i s ASP 71 Ca 0.06 -0.93 0.03 0.00 0.71 0.00 0.00 52.55 52.42 2k3i s ASP 71 Cb -0.16 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.31 2k3i s ASP 71 CO 0.05 -1.64 0.56 0.18 0.21 0.00 0.00 175.17 174.53 2k3i n LEU 72 N 8.87 0.00 -4.39 1.23 4.77 -0.62 -5.03 117.00 121.82 2k3i n LEU 72 Ca 0.13 -1.44 -0.45 0.00 -0.03 0.00 0.00 56.01 54.23 2k3i n LEU 72 Cb 0.49 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2k3i n LEU 72 CO 0.67 -0.72 0.54 -0.70 -1.33 0.00 0.00 177.39 175.85 2k3i s GLU 73 N -3.87 3.20 0.00 3.23 2.12 -1.26 -4.07 118.70 118.06 2k3i s GLU 73 Ca 0.40 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 54.25 2k3i s GLU 73 Cb -0.03 -4.39 0.00 0.00 0.26 0.00 0.00 34.13 29.97 2k3i s GLU 73 CO 0.26 -1.58 0.00 0.41 -0.54 0.00 0.00 175.26 173.81 2k3i n GLY 74 N 5.17 2.07 3.61 -1.50 0.00 -1.26 -5.01 105.19 108.27 2k3i n GLY 74 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.95 1.91 0.05 1.61 -2.07 -1.26 -4.61 119.66 114.35 2k3i s GLN 75 Ca 0.00 -1.53 0.01 0.00 -1.82 0.00 0.00 55.36 52.02 2k3i s GLN 75 Cb 0.00 0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 32.40 2k3i s GLN 75 CO 0.00 -0.83 -0.05 0.14 -1.32 0.00 0.00 175.29 173.23 2k3i s VAL 76 N -3.11 0.36 -0.33 3.63 -7.23 0.43 -1.60 120.40 112.56 2k3i s VAL 76 Ca 0.24 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2k3i s VAL 76 Cb -0.02 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 2k3i s VAL 76 CO 0.15 -0.67 0.19 -1.61 -0.31 0.00 0.00 175.10 172.85 2k3i s GLU 77 N -2.57 3.34 -0.36 4.82 2.02 -0.80 -2.16 118.70 122.99 2k3i s GLU 77 Ca -0.03 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 2k3i s GLU 77 Cb -0.03 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.55 2k3i s GLU 77 CO -0.04 -0.46 0.20 -1.17 0.02 0.00 0.00 175.26 173.82 2k3i s LEU 78 N 1.65 4.63 -0.27 1.80 1.98 -0.30 -2.00 118.68 126.16 2k3i s LEU 78 Ca 0.05 -0.92 -0.02 0.00 -2.89 0.00 0.00 54.13 50.36 2k3i s LEU 78 Cb -0.17 -2.02 0.09 0.00 0.66 0.00 0.00 46.19 44.74 2k3i s LEU 78 CO 0.08 -0.36 0.08 -0.62 -1.89 0.00 0.00 176.35 173.64 2k3i s ASP 79 N 1.57 3.64 -0.23 3.68 2.15 -0.85 -0.39 116.67 126.23 2k3i s ASP 79 Ca 0.02 -1.34 -0.09 0.00 0.43 0.00 0.00 52.55 51.57 2k3i s ASP 79 Cb -0.19 -0.72 -0.04 0.00 -0.30 0.00 0.00 42.92 41.67 2k3i s ASP 79 CO 0.07 -0.38 0.11 0.00 -0.17 0.00 0.00 175.17 174.79 2k3i s ALA 80 N 1.75 3.40 -0.37 3.66 0.00 0.16 0.60 121.76 130.97 2k3i s ALA 80 Ca 0.06 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2k3i s ALA 80 Cb -0.17 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 2k3i s ALA 80 CO -0.22 -0.20 0.41 0.00 0.00 0.00 0.00 175.76 175.75 2k3i s ALA 81 N 1.09 3.47 -0.35 0.00 0.00 0.17 -0.87 121.76 125.27 2k3i s ALA 81 Ca 0.05 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 2k3i s ALA 81 Cb -0.14 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2k3i s ALA 81 CO 0.04 -1.25 0.21 -0.06 0.00 0.00 0.00 175.76 174.70 2k3i s PHE 82 N 2.13 3.22 -0.55 0.00 0.08 0.13 -0.80 117.98 122.19 2k3i s PHE 82 Ca 0.13 -0.66 -0.22 0.00 0.12 0.00 0.00 56.93 56.31 2k3i s PHE 82 Cb -0.16 -2.44 0.06 0.00 -0.57 0.00 0.00 43.02 39.90 2k3i s PHE 82 CO 0.13 -0.53 0.81 0.99 -0.10 0.00 0.00 175.22 176.52 2k3i s THR 83 N 1.62 4.59 0.54 0.64 2.01 0.11 -0.80 115.64 124.36 2k3i s THR 83 Ca 0.04 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2k3i s THR 83 Cb -0.18 -4.47 0.02 0.00 0.01 0.00 0.00 72.50 67.88 2k3i s THR 83 CO 0.08 -1.05 0.79 -0.36 -0.69 0.00 0.00 174.62 173.38 2k3i s PHE 84 N 3.38 3.04 -0.09 4.92 0.08 -1.04 -2.26 117.98 126.01 2k3i s PHE 84 Ca 0.22 0.21 0.15 0.00 0.12 0.00 0.00 56.93 57.63 2k3i s PHE 84 Cb -0.17 -2.66 -0.21 0.00 -0.57 0.00 0.00 43.02 39.41 2k3i s PHE 84 CO 0.14 -0.76 0.59 0.43 -0.10 0.00 0.00 175.22 175.52 2k3i n SER 85 N -2.36 0.69 -4.46 1.36 7.64 -1.26 -4.71 113.62 110.52 2k3i n SER 85 Ca 0.05 0.32 -0.23 0.00 1.01 0.00 0.00 58.87 60.03 2k3i n SER 85 Cb 0.59 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.92 2k3i n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3i h GLN 87 N 2.24 0.13 -0.26 0.00 4.15 -1.90 -3.21 115.11 116.26 2k3i h GLN 87 Ca -0.40 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 58.85 2k3i h GLN 87 Cb 1.24 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.96 2k3i h GLN 87 CO 0.66 1.03 -0.07 0.00 -1.93 0.00 0.00 178.83 178.53 2k3i h ALA 88 N 0.78 0.17 0.00 3.38 0.00 -1.97 0.42 119.26 122.03 2k3i h ALA 88 Ca -0.12 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k3i h ALA 88 Cb 1.90 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2k3i h ALA 88 CO 0.15 -0.47 -0.22 1.05 0.00 0.00 0.00 179.25 179.76 2k3i h GLU 89 N -0.00 0.00 0.12 0.00 4.11 -1.90 -2.12 114.58 114.79 2k3i h GLU 89 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2k3i h GLU 89 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k3i h GLU 89 CO -0.27 0.22 -0.06 1.98 0.07 0.00 0.00 179.01 180.96 2k3i h MET 90 N 0.00 -0.16 -0.70 1.06 4.05 -1.24 -2.89 114.93 115.05 2k3i h MET 90 Ca -0.00 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 2k3i h MET 90 Cb 0.56 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 2k3i h MET 90 CO 0.03 0.31 0.24 -0.84 0.23 0.00 0.00 176.91 176.88 2k3i h ILE 91 N -0.83 1.25 0.00 1.77 3.07 -0.90 -2.16 117.51 119.72 2k3i h ILE 91 Ca -0.02 -0.85 -0.06 0.00 1.55 0.00 0.00 64.86 65.49 2k3i h ILE 91 Cb 0.55 0.48 -0.01 0.00 -0.27 0.00 0.00 36.82 37.57 2k3i h ILE 91 CO 0.03 0.33 -0.29 0.16 -1.05 0.00 0.00 178.15 177.34 2k3i h ILE 92 N 1.02 1.11 -0.14 0.16 -0.00 -1.51 -0.63 117.51 117.52 2k3i h ILE 92 Ca 0.23 -1.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.07 2k3i h ILE 92 Cb 0.27 1.56 -0.01 0.00 -0.00 0.00 0.00 36.82 38.64 2k3i h ILE 92 CO -0.01 0.28 0.07 0.15 -0.00 0.00 0.00 178.15 178.63 2k3i h PHE 93 N 0.00 0.21 -0.87 0.16 3.57 -1.18 0.15 116.94 118.98 2k3i h PHE 93 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2k3i h PHE 93 Cb 0.54 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 2k3i h PHE 93 CO 0.00 0.26 0.54 0.93 -2.23 0.00 0.00 178.31 177.81 2k3i h GLU 94 N 0.10 0.93 0.22 1.11 4.39 -0.85 0.23 114.58 120.70 2k3i h GLU 94 Ca 0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k3i h GLU 94 Cb 0.13 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2k3i h GLU 94 CO -0.01 0.61 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.28 2k3i h LEU 95 N 0.96 -0.25 -0.90 1.33 3.38 -0.78 -0.72 115.31 118.33 2k3i h LEU 95 Ca 0.39 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.43 2k3i h LEU 95 Cb 0.22 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2k3i h LEU 95 CO -0.19 -0.11 0.52 0.28 0.09 0.00 0.00 178.44 179.04 2k3i h SER 96 N -0.38 0.72 -0.36 -0.43 0.02 -0.28 -0.35 113.55 112.48 2k3i h SER 96 Ca -0.03 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2k3i h SER 96 Cb 0.29 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2k3i h SER 96 CO 0.05 0.36 0.20 -0.07 -1.14 0.00 0.00 176.83 176.23 2k3i h LEU 97 N 0.80 0.32 -1.58 5.07 3.38 -0.14 0.23 115.31 123.39 2k3i h LEU 97 Ca 0.47 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2k3i h LEU 97 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k3i h LEU 97 CO -0.30 0.24 -0.21 0.03 0.09 0.00 0.00 178.44 178.28 2k3i h ARG 98 N 0.42 0.00 0.18 1.13 3.08 -0.17 0.17 114.38 119.18 2k3i h ARG 98 Ca 0.15 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 2k3i h ARG 98 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 2k3i h ARG 98 CO -0.08 0.21 -1.09 1.03 -1.07 0.00 0.00 179.97 178.97 2k3i h SER 99 N 0.00 0.58 0.00 7.04 0.87 -0.34 -3.12 113.55 118.58 2k3i h SER 99 Ca -0.00 -0.94 -0.08 0.00 -1.23 0.00 0.00 61.79 59.54 2k3i h SER 99 Cb 0.38 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2k3i h SER 99 CO 0.03 1.52 -0.80 -0.11 -0.53 0.00 0.00 176.83 176.94 2k3i n LEU 100 N -3.97 1.83 0.09 2.23 7.94 0.74 -4.49 117.00 121.37 2k3i n LEU 100 Ca -0.16 0.56 -0.20 0.00 -1.11 0.00 0.00 56.01 55.10 2k3i n LEU 100 Cb 0.92 -0.90 -0.12 0.00 0.53 0.00 0.00 43.42 43.86 2k3i n LEU 100 CO 0.52 -0.22 -0.03 0.00 -1.11 0.00 0.00 177.39 176.54 2k3i h ALA 101 N -0.85 0.06 0.00 1.96 0.00 -0.96 -3.47 119.26 116.01 2k3i h ALA 101 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2k3i h ALA 101 Cb 0.79 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k3i h ALA 101 CO -0.07 0.75 0.00 -0.11 0.00 0.00 0.00 179.25 179.82 2k3i n LEU 102 N -3.74 0.00 -4.43 0.00 0.00 0.03 -4.75 117.00 104.10 2k3i n LEU 102 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.52 2k3i n LEU 102 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.37 2k3i n LEU 102 CO 0.57 0.00 1.88 1.21 0.00 0.00 0.00 177.39 181.04 2k3i n GLU 103 N 0.00 2.45 -2.56 1.96 2.13 -1.26 -4.56 120.64 118.79 2k3i n GLU 103 Ca 0.00 -2.81 -0.29 0.00 0.66 0.00 0.00 57.16 54.71 2k3i n GLU 103 Cb 0.00 -3.52 -0.01 0.00 0.27 0.00 0.00 31.44 28.18 2k3i n GLU 103 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k3i n HIS 104 N 10.36 3.52 0.00 4.31 -0.00 -1.26 -4.98 115.22 127.16 2k3i n HIS 104 Ca 0.48 -3.25 0.00 0.00 0.46 0.00 0.00 57.72 55.41 2k3i n HIS 104 Cb 0.45 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 2k3i n HIS 104 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k3i n HIS 105 N -0.39 0.00 0.00 1.57 -0.00 -1.26 -4.56 115.22 110.58 2k3i n HIS 105 Ca 0.39 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.57 2k3i n HIS 105 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2k3i n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k3i n HIS 106 N 0.00 0.00 -3.39 1.57 -0.00 -1.26 -5.06 115.22 107.08 2k3i n HIS 106 Ca 0.00 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.73 2k3i n HIS 106 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2k3i n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k3i s HIS 107 N 0.00 3.84 -0.11 1.57 2.46 -1.26 -4.85 115.29 116.94 2k3i s HIS 107 Ca 0.00 -2.28 -0.24 0.00 0.47 0.00 0.00 55.06 53.01 2k3i s HIS 107 Cb 0.00 -3.72 -0.27 0.00 -0.13 0.00 0.00 32.58 28.46 2k3i s HIS 107 CO 0.00 -0.95 0.70 1.25 -2.47 0.00 0.00 174.74 173.27 2k3i h HIS 108 N 7.36 0.24 0.00 3.88 6.17 -1.97 -3.54 115.15 127.28 2k3i h HIS 108 Ca 0.11 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2k3i h HIS 108 Cb 0.98 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.90 2k3i h HIS 108 CO 0.93 1.24 0.00 0.72 0.71 0.00 0.00 177.93 181.53