#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 1.70 -0.46 3.04 0.00 -1.26 -5.02 121.76 119.77 2k3i s ALA 2 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 51.96 50.40 2k3i s ALA 2 Cb 0.00 -1.58 0.18 0.00 0.00 0.00 0.00 23.12 21.71 2k3i s ALA 2 CO 0.00 -1.54 0.56 0.00 0.00 0.00 0.00 175.76 174.78 2k3i s MET 3 N 1.52 0.93 -0.33 0.00 0.00 -1.26 -5.10 119.30 115.08 2k3i s MET 3 Ca 0.06 -1.20 -0.00 0.00 0.00 0.00 0.00 55.69 54.55 2k3i s MET 3 Cb -0.18 -0.48 0.13 0.00 0.00 0.00 0.00 34.83 34.31 2k3i s MET 3 CO -0.18 -1.31 0.26 -1.59 0.00 0.00 0.00 175.02 172.20 2k3i s LYS 4 N 0.87 0.43 -0.30 3.16 0.00 -1.26 -5.09 119.74 117.56 2k3i s LYS 4 Ca 0.27 -0.71 -0.16 0.00 0.00 0.00 0.00 55.97 55.37 2k3i s LYS 4 Cb -0.02 -0.94 0.17 0.00 0.00 0.00 0.00 37.83 37.04 2k3i s LYS 4 CO -0.08 -1.12 1.03 0.34 0.00 0.00 0.00 175.35 175.52 2k3i s ASP 5 N 1.74 -0.50 -0.03 0.03 2.15 -1.26 -5.16 116.67 113.64 2k3i s ASP 5 Ca 0.13 0.69 -0.15 0.00 0.43 0.00 0.00 52.55 53.65 2k3i s ASP 5 Cb -0.17 1.54 -0.05 0.00 -0.30 0.00 0.00 42.92 43.94 2k3i s ASP 5 CO -0.18 -0.10 0.40 0.68 -0.17 0.00 0.00 175.17 175.81 2k3i s VAL 6 N 2.30 5.08 -0.23 1.11 -7.23 -1.26 -5.07 120.40 115.10 2k3i s VAL 6 Ca -0.03 0.82 0.01 0.00 -1.81 0.00 0.00 61.98 60.97 2k3i s VAL 6 Cb -0.05 -3.71 0.04 0.00 0.56 0.00 0.00 36.38 33.22 2k3i s VAL 6 CO -0.17 0.53 -0.12 0.54 -0.31 0.00 0.00 175.10 175.57 2k3i s VAL 7 N -0.72 2.34 -0.29 1.32 0.11 -1.26 -5.08 120.40 116.82 2k3i s VAL 7 Ca 0.23 -1.27 -0.15 0.00 -2.93 0.00 0.00 61.98 57.86 2k3i s VAL 7 Cb -0.16 -2.21 0.15 0.00 -1.53 0.00 0.00 36.38 32.63 2k3i s VAL 7 CO 0.12 0.20 0.92 -0.62 -3.33 0.00 0.00 175.10 172.39 2k3i s ASP 8 N 1.22 -0.65 -0.46 3.54 2.15 -1.26 -5.09 116.67 116.12 2k3i s ASP 8 Ca -0.02 0.94 0.04 0.00 0.43 0.00 0.00 52.55 53.94 2k3i s ASP 8 Cb -0.17 1.56 0.17 0.00 -0.30 0.00 0.00 42.92 44.18 2k3i s ASP 8 CO -0.07 -0.14 0.36 -0.75 -0.17 0.00 0.00 175.17 174.40 2k3i s LYS 9 N 2.06 1.16 -1.11 4.34 2.20 -1.26 -5.06 119.74 122.07 2k3i s LYS 9 Ca -0.06 -2.29 -0.08 0.00 -0.36 0.00 0.00 55.97 53.18 2k3i s LYS 9 Cb -0.06 -1.76 0.29 0.00 -1.51 0.00 0.00 37.83 34.79 2k3i s LYS 9 CO -0.17 -1.36 1.20 0.00 -0.36 0.00 0.00 175.35 174.66 2k3i s SER 11 N 0.53 7.00 -0.22 0.00 0.01 -1.26 -4.98 113.70 114.79 2k3i s SER 11 Ca 0.31 -2.91 0.00 0.00 1.31 0.00 0.00 55.95 54.67 2k3i s SER 11 Cb -0.06 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.89 2k3i s SER 11 CO -0.04 -0.68 -0.05 -0.89 0.41 0.00 0.00 173.24 172.00 2k3i s THR 12 N 0.92 1.39 -0.32 1.44 2.01 -1.26 -5.02 115.64 114.80 2k3i s THR 12 Ca 0.34 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 2k3i s THR 12 Cb -0.06 -1.65 0.19 0.00 0.01 0.00 0.00 72.50 70.99 2k3i s THR 12 CO -0.05 -0.05 0.90 -0.75 -0.69 0.00 0.00 174.62 173.98 2k3i s LYS 13 N 1.47 0.34 -0.38 4.92 2.47 -1.26 -5.09 119.74 122.20 2k3i s LYS 13 Ca -0.04 0.07 0.11 0.00 -1.56 0.00 0.00 55.97 54.55 2k3i s LYS 13 Cb -0.18 0.08 0.34 0.00 -1.46 0.00 0.00 37.83 36.62 2k3i s LYS 13 CO -0.07 -0.55 0.78 0.41 0.16 0.00 0.00 175.35 176.08 2k3i n GLY 14 N 4.57 3.13 3.05 5.54 0.00 -1.26 -5.07 105.19 115.15 2k3i n GLY 14 Ca 0.08 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 0.78 3.53 -0.29 0.00 0.00 -1.26 -5.02 121.76 119.50 2k3i s ALA 16 Ca -0.12 -3.31 -0.17 0.00 0.00 0.00 0.00 51.96 48.37 2k3i s ALA 16 Cb -0.16 -2.52 0.12 0.00 0.00 0.00 0.00 23.12 20.56 2k3i s ALA 16 CO 0.02 -2.09 0.88 -1.50 0.00 0.00 0.00 175.76 173.07 2k3i s ILE 17 N -0.21 0.00 -0.26 0.00 1.10 -1.26 -5.13 121.20 115.44 2k3i s ILE 17 Ca 0.17 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 60.30 2k3i s ILE 17 Cb -0.21 -1.00 0.13 0.00 0.15 0.00 0.00 42.46 41.52 2k3i s ILE 17 CO -0.03 0.00 0.30 -0.62 -2.11 0.00 0.00 174.94 172.48 2k3i s ASP 18 N 1.33 1.21 -0.71 4.50 2.15 -1.26 -5.08 116.67 118.82 2k3i s ASP 18 Ca -0.08 -0.38 -0.05 0.00 0.43 0.00 0.00 52.55 52.47 2k3i s ASP 18 Cb -0.04 0.64 0.18 0.00 -0.30 0.00 0.00 42.92 43.40 2k3i s ASP 18 CO -0.15 -0.35 0.55 0.27 -0.17 0.00 0.00 175.17 175.32 2k3i s ILE 19 N 2.40 4.14 0.25 4.11 -4.36 -1.26 -4.91 121.20 121.57 2k3i s ILE 19 Ca 0.09 -3.04 0.30 0.00 -0.26 0.00 0.00 60.65 57.74 2k3i s ILE 19 Cb -0.15 -3.64 0.32 0.00 1.25 0.00 0.00 42.46 40.24 2k3i s ILE 19 CO -0.23 -0.94 2.00 1.23 0.24 0.00 0.00 174.94 177.23 2k3i h GLY 20 N 6.97 0.00 0.00 6.27 0.00 -2.01 -3.46 103.07 110.84 2k3i h GLY 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k3i h GLY 20 CO 0.74 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.91 2k3i n THR 21 N -3.34 0.00 -4.28 4.70 5.66 -1.26 -4.83 114.28 110.93 2k3i n THR 21 Ca -0.01 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.73 2k3i n THR 21 Cb 0.30 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.00 2k3i n THR 21 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2k3i s VAL 22 N 0.00 3.31 -1.15 1.08 -7.23 -1.26 -5.05 120.40 110.10 2k3i s VAL 22 Ca 0.00 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.30 2k3i s VAL 22 Cb 0.00 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.34 2k3i s VAL 22 CO 0.00 -0.15 1.58 -0.63 -0.31 0.00 0.00 175.10 175.59 2k3i s ILE 23 N -1.80 4.03 -0.03 -0.62 1.01 -1.26 -4.76 121.20 117.76 2k3i s ILE 23 Ca 0.26 -1.31 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 2k3i s ILE 23 Cb -0.08 -5.12 -0.11 0.00 0.01 0.00 0.00 42.46 37.15 2k3i s ILE 23 CO 0.16 -1.97 0.79 -0.78 0.00 0.00 0.00 174.94 173.14 2k3i h ASP 24 N 8.75 -0.43 -4.15 3.58 3.58 -1.99 -3.50 116.42 122.26 2k3i h ASP 24 Ca 0.32 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k3i h ASP 24 Cb 0.94 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2k3i h ASP 24 CO 1.44 0.01 -0.67 -3.20 -2.88 0.00 0.00 179.24 173.95 2k3i n ASN 25 N -5.12 -6.85 0.00 2.28 4.05 -1.26 -5.08 115.26 103.28 2k3i n ASN 25 Ca -0.08 1.23 0.00 0.00 0.45 0.00 0.00 54.58 56.18 2k3i n ASN 25 Cb 0.25 -3.80 0.00 0.00 1.23 0.00 0.00 39.78 37.46 2k3i n ASN 25 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2k3i n ASP 26 N 1.21 0.00 -3.27 1.20 2.03 -1.26 -5.16 116.55 111.30 2k3i n ASP 26 Ca -0.01 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.15 2k3i n ASP 26 Cb 0.01 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 2k3i n ASP 26 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k3i n ASN 27 N -1.80 2.63 -0.37 1.67 2.85 -1.26 -5.04 115.26 113.94 2k3i n ASN 27 Ca 0.00 -2.04 0.05 0.00 -0.11 0.00 0.00 54.58 52.48 2k3i n ASN 27 Cb 0.00 0.16 0.03 0.00 1.24 0.00 0.00 39.78 41.21 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 -0.96 2.88 -0.21 0.00 2.01 -1.26 -0.86 115.64 117.25 2k3i s THR 29 Ca 0.11 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 2k3i s THR 29 Cb 0.08 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2k3i s THR 29 CO 0.15 0.47 0.13 -0.55 -0.69 0.00 0.00 174.62 174.13 2k3i s SER 30 N 1.37 6.06 -0.13 3.53 0.15 0.56 -4.88 113.70 120.37 2k3i s SER 30 Ca 0.05 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 2k3i s SER 30 Cb -0.14 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2k3i s SER 30 CO -0.07 0.13 -0.03 -0.54 1.20 0.00 0.00 173.24 173.94 2k3i s LYS 31 N 0.64 3.43 -0.11 5.44 1.02 -1.26 0.12 119.74 129.02 2k3i s LYS 31 Ca 0.07 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.51 2k3i s LYS 31 Cb -0.12 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.37 2k3i s LYS 31 CO 0.01 0.40 0.26 0.12 -0.92 0.00 0.00 175.35 175.22 2k3i s PHE 32 N -0.06 -0.35 -0.04 3.18 5.36 0.29 -4.99 117.98 121.37 2k3i s PHE 32 Ca 0.02 0.82 0.01 0.00 -0.96 0.00 0.00 56.93 56.83 2k3i s PHE 32 Cb -0.13 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 2k3i s PHE 32 CO 0.02 -0.24 -0.04 -1.54 -1.46 0.00 0.00 175.22 171.97 2k3i s SER 33 N 1.19 0.81 0.02 6.13 1.04 -1.25 -0.58 113.70 121.05 2k3i s SER 33 Ca -0.09 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.28 2k3i s SER 33 Cb -0.10 -0.37 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 2k3i s SER 33 CO -0.08 -0.04 -0.13 -0.60 0.98 0.00 0.00 173.24 173.36 2k3i s ARG 34 N 0.78 0.98 -0.08 4.02 6.06 -0.37 -4.93 118.95 125.41 2k3i s ARG 34 Ca -0.10 -0.61 -0.21 0.00 -2.50 0.00 0.00 55.73 52.31 2k3i s ARG 34 Cb -0.13 -0.96 -0.04 0.00 0.06 0.00 0.00 34.95 33.88 2k3i s ARG 34 CO -0.00 0.25 0.62 -0.06 -2.50 0.00 0.00 175.30 173.61 2k3i s PHE 35 N -0.59 3.56 0.38 5.12 0.08 -1.26 -0.90 117.98 124.38 2k3i s PHE 35 Ca 0.03 1.12 0.05 0.00 0.12 0.00 0.00 56.93 58.25 2k3i s PHE 35 Cb -0.06 -2.70 -0.07 0.00 -0.57 0.00 0.00 43.02 39.62 2k3i s PHE 35 CO 0.00 0.14 0.03 -0.06 -0.10 0.00 0.00 175.22 175.24 2k3i s PHE 36 N 0.66 2.22 0.02 0.36 0.08 0.78 -4.94 117.98 117.16 2k3i s PHE 36 Ca 0.33 -0.83 -0.27 0.00 0.12 0.00 0.00 56.93 56.28 2k3i s PHE 36 Cb -0.17 -1.54 -0.15 0.00 -0.57 0.00 0.00 43.02 40.59 2k3i s PHE 36 CO 0.15 0.22 1.15 0.00 -0.10 0.00 0.00 175.22 176.64 2k3i h ALA 37 N 1.90 -0.93 -1.94 5.36 0.00 -1.89 0.47 119.26 122.23 2k3i h ALA 37 Ca -0.42 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 2k3i h ALA 37 Cb 1.25 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 2k3i h ALA 37 CO 0.75 -0.88 -0.65 0.95 0.00 0.00 0.00 179.25 179.42 2k3i s THR 38 N -4.76 1.78 0.39 0.00 -4.23 -1.26 -3.60 115.64 103.97 2k3i s THR 38 Ca -0.14 -2.09 0.33 0.00 -1.18 0.00 0.00 61.69 58.60 2k3i s THR 38 Cb 0.02 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.52 2k3i s THR 38 CO 0.44 -0.15 2.12 0.08 -0.54 0.00 0.00 174.62 176.57 2k3i h ARG 39 N 2.07 0.00 -0.31 3.99 -0.00 -1.91 -1.64 114.38 116.59 2k3i h ARG 39 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.55 2k3i h ARG 39 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 2k3i h ARG 39 CO 0.71 0.07 0.15 0.93 -0.00 0.00 0.00 179.97 181.83 2k3i h GLU 40 N 0.00 0.44 0.00 0.08 5.08 -1.99 -0.79 114.58 117.40 2k3i h GLU 40 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k3i h GLU 40 Cb 0.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k3i h GLU 40 CO 0.01 0.41 -0.01 0.93 -1.00 0.00 0.00 179.01 179.36 2k3i h GLU 41 N 0.36 0.00 -0.02 2.33 4.39 -1.70 0.05 114.58 119.99 2k3i h GLU 41 Ca 0.11 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 2k3i h GLU 41 Cb 0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k3i h GLU 41 CO -0.01 0.01 -0.70 0.00 -1.16 0.00 0.00 179.01 177.14 2k3i h ALA 42 N 1.99 0.10 -0.78 3.43 0.00 -1.10 -1.40 119.26 121.51 2k3i h ALA 42 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2k3i h ALA 42 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2k3i h ALA 42 CO 0.00 0.44 0.35 0.93 0.00 0.00 0.00 179.25 180.98 2k3i h GLU 43 N 0.05 1.14 -0.36 0.00 5.08 -0.68 -0.70 114.58 119.11 2k3i h GLU 43 Ca -0.08 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2k3i h GLU 43 Cb 1.39 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2k3i h GLU 43 CO 0.14 0.90 -0.01 0.77 -1.00 0.00 0.00 179.01 179.81 2k3i h SER 44 N 1.12 0.54 0.03 1.42 0.02 -0.98 -2.39 113.55 113.31 2k3i h SER 44 Ca 0.27 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2k3i h SER 44 Cb 0.15 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k3i h SER 44 CO -0.03 0.62 -0.01 0.15 -1.14 0.00 0.00 176.83 176.42 2k3i h PHE 45 N 0.55 -0.04 -0.31 3.45 3.57 -0.64 -3.09 116.94 120.44 2k3i h PHE 45 Ca 0.11 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.70 2k3i h PHE 45 Cb 0.37 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2k3i h PHE 45 CO 0.01 0.42 0.25 1.98 -2.23 0.00 0.00 178.31 178.74 2k3i h MET 46 N -0.52 0.00 -0.18 1.11 4.05 -1.00 -1.37 114.93 117.03 2k3i h MET 46 Ca -0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2k3i h MET 46 Cb 0.48 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 2k3i h MET 46 CO 0.01 0.00 -0.01 1.15 0.23 0.00 0.00 176.91 178.28 2k3i h THR 47 N 0.00 0.86 0.00 -0.77 2.02 -1.34 -2.43 112.91 111.25 2k3i h THR 47 Ca 0.15 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 2k3i h THR 47 Cb 0.64 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2k3i h THR 47 CO -0.00 0.01 -0.48 0.07 0.37 0.00 0.00 175.52 175.49 2k3i h LYS 48 N 0.04 0.00 -0.83 6.66 2.10 -1.32 -2.72 116.57 120.49 2k3i h LYS 48 Ca 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2k3i h LYS 48 Cb 0.11 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 2k3i h LYS 48 CO -0.16 0.48 0.51 -0.07 -2.00 0.00 0.00 179.45 178.22 2k3i h LEU 49 N 0.00 0.99 -0.71 7.07 -0.00 -1.22 0.84 115.31 122.28 2k3i h LEU 49 Ca -0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 2k3i h LEU 49 Cb 1.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.40 2k3i h LEU 49 CO 0.06 0.76 0.28 0.11 -0.00 0.00 0.00 178.44 179.65 2k3i h LYS 50 N 1.14 1.07 -0.16 1.13 6.56 -1.14 0.20 116.57 125.37 2k3i h LYS 50 Ca 0.30 -0.20 -0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2k3i h LYS 50 Cb -0.06 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.42 2k3i h LYS 50 CO -0.06 0.88 0.09 0.93 -2.06 0.00 0.00 179.45 179.24 2k3i h GLU 51 N 1.02 0.22 -0.44 3.15 4.39 -1.22 -2.82 114.58 118.88 2k3i h GLU 51 Ca 0.24 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2k3i h GLU 51 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2k3i h GLU 51 CO -0.02 0.21 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.88 2k3i h LEU 52 N 0.17 0.84 -0.75 1.33 3.38 -0.63 -3.19 115.31 116.46 2k3i h LEU 52 Ca 0.06 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2k3i h LEU 52 Cb 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2k3i h LEU 52 CO -0.01 1.00 0.48 0.00 0.09 0.00 0.00 178.44 180.00 2k3i h ALA 53 N 0.87 0.97 -0.34 1.53 0.00 -0.53 0.92 119.26 122.67 2k3i h ALA 53 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2k3i h ALA 53 Cb 0.63 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k3i h ALA 53 CO 0.04 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2k3i h ALA 54 N 1.30 1.37 0.07 0.00 0.00 -1.49 -1.11 119.26 119.40 2k3i h ALA 54 Ca 0.29 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 2k3i h ALA 54 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k3i h ALA 54 CO -0.09 0.44 -1.50 0.00 0.00 0.00 0.00 179.25 178.10 2k3i h ALA 55 N 1.50 0.41 0.01 0.00 0.00 -1.41 -3.39 119.26 116.37 2k3i h ALA 55 Ca 0.11 -1.17 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 2k3i h ALA 55 Cb 0.33 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3i h ALA 55 CO 0.01 1.27 -0.00 0.00 0.00 0.00 0.00 179.25 180.52 2k3i h ALA 56 N 0.67 -0.01 -1.87 0.00 0.00 -0.66 -3.47 119.26 113.92 2k3i h ALA 56 Ca -0.22 -0.41 -0.44 0.00 0.00 0.00 0.00 54.91 53.84 2k3i h ALA 56 Cb 1.97 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.81 2k3i h ALA 56 CO 0.13 -0.04 -0.05 -1.54 0.00 0.00 0.00 179.25 177.75 2k3i s SER 57 N -6.06 5.38 -0.00 0.00 1.04 -0.44 -4.71 113.70 108.91 2k3i s SER 57 Ca -0.16 0.03 0.12 0.00 0.48 0.00 0.00 55.95 56.41 2k3i s SER 57 Cb -0.02 -0.98 0.35 0.00 0.10 0.00 0.00 66.02 65.47 2k3i s SER 57 CO 0.61 -1.06 1.28 -1.20 0.98 0.00 0.00 173.24 173.85 2k3i n SER 58 N -2.28 2.14 -4.50 7.02 7.64 -1.26 -4.76 113.62 117.61 2k3i n SER 58 Ca 0.07 -2.02 -0.42 0.00 1.01 0.00 0.00 58.87 57.51 2k3i n SER 58 Cb 0.59 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 2k3i n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3i s ALA 59 N -1.49 2.95 0.38 -0.43 0.00 -1.26 -4.88 121.76 117.02 2k3i s ALA 59 Ca 0.26 -1.77 0.11 0.00 0.00 0.00 0.00 51.96 50.56 2k3i s ALA 59 Cb 0.14 -4.10 0.75 0.00 0.00 0.00 0.00 23.12 19.91 2k3i s ALA 59 CO 0.18 -3.08 1.87 0.22 0.00 0.00 0.00 175.76 174.94 2k3i h ASP 60 N 9.72 0.12 -0.71 0.00 3.58 -1.91 -1.37 116.42 125.86 2k3i h ASP 60 Ca -0.20 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2k3i h ASP 60 Cb 1.05 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2k3i h ASP 60 CO 1.24 0.39 0.00 1.21 -2.88 0.00 0.00 179.24 179.20 2k3i n GLU 61 N -4.19 2.63 0.00 0.28 2.13 -1.26 -5.00 120.64 115.24 2k3i n GLU 61 Ca -0.01 -2.54 0.00 0.00 0.66 0.00 0.00 57.16 55.27 2k3i n GLU 61 Cb 0.34 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.50 2k3i n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k3i n GLY 62 N 1.62 2.91 3.75 8.31 0.00 -0.52 -5.06 105.19 116.21 2k3i n GLY 62 Ca 0.24 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.26 2.37 -0.78 4.61 0.00 -1.26 -4.82 121.76 120.63 2k3i s ALA 63 Ca 0.00 0.85 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 2k3i s ALA 63 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2k3i s ALA 63 CO 0.00 -1.45 1.88 -1.12 0.00 0.00 0.00 175.76 175.07 2k3i s SER 64 N -1.99 5.27 -0.24 0.00 0.01 -1.00 -4.87 113.70 110.89 2k3i s SER 64 Ca 0.74 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 2k3i s SER 64 Cb -0.27 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.40 2k3i s SER 64 CO 0.39 -2.52 -0.01 0.54 0.41 0.00 0.00 173.24 172.04 2k3i s VAL 65 N 9.38 3.52 -0.52 3.43 0.11 -1.25 0.21 120.40 135.27 2k3i s VAL 65 Ca 0.67 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 59.03 2k3i s VAL 65 Cb -0.09 -2.66 0.12 0.00 -1.53 0.00 0.00 36.38 32.22 2k3i s VAL 65 CO 0.09 0.34 0.47 0.00 -3.33 0.00 0.00 175.10 172.66 2k3i s ALA 66 N 1.48 3.62 0.26 1.54 0.00 0.14 -4.89 121.76 123.91 2k3i s ALA 66 Ca 0.05 -2.43 0.11 0.00 0.00 0.00 0.00 51.96 49.68 2k3i s ALA 66 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2k3i s ALA 66 CO -0.02 -1.94 -0.19 1.52 0.00 0.00 0.00 175.76 175.13 2k3i s TYR 67 N 1.60 2.13 0.01 0.00 1.13 -1.26 -0.45 117.35 120.51 2k3i s TYR 67 Ca 0.03 -0.40 -0.05 0.00 -1.41 0.00 0.00 57.07 55.24 2k3i s TYR 67 Cb -0.28 -0.94 -0.01 0.00 -1.10 0.00 0.00 41.96 39.63 2k3i s TYR 67 CO 0.04 0.61 0.09 -1.59 -2.51 0.00 0.00 175.55 172.19 2k3i s LYS 68 N -3.51 0.44 -0.37 -3.49 -2.85 0.17 -4.96 119.74 105.18 2k3i s LYS 68 Ca 0.28 -0.49 -0.04 0.00 -1.00 0.00 0.00 55.97 54.72 2k3i s LYS 68 Cb -0.04 0.18 0.08 0.00 -2.06 0.00 0.00 37.83 35.98 2k3i s LYS 68 CO 0.13 -0.10 0.13 0.42 0.10 0.00 0.00 175.35 176.03 2k3i s ILE 69 N -1.50 3.41 -0.34 3.79 1.01 -1.26 -1.17 121.20 125.14 2k3i s ILE 69 Ca -0.14 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 58.78 2k3i s ILE 69 Cb -0.08 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2k3i s ILE 69 CO 0.00 -0.40 0.22 -0.75 0.00 0.00 0.00 174.94 174.02 2k3i s LYS 70 N 1.26 3.34 0.05 2.79 2.47 -0.17 -4.96 119.74 124.51 2k3i s LYS 70 Ca 0.02 -0.74 -0.31 0.00 -1.56 0.00 0.00 55.97 53.38 2k3i s LYS 70 Cb -0.21 -3.76 -0.07 0.00 -1.46 0.00 0.00 37.83 32.33 2k3i s LYS 70 CO -0.01 -0.49 1.41 0.16 0.16 0.00 0.00 175.35 176.57 2k3i s ASP 71 N 1.68 6.84 0.03 1.43 -4.77 -1.26 -0.37 116.67 120.23 2k3i s ASP 71 Ca 0.05 2.21 0.00 0.00 -3.30 0.00 0.00 52.55 51.51 2k3i s ASP 71 Cb -0.18 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 2k3i s ASP 71 CO 0.09 -0.70 0.01 0.18 0.70 0.00 0.00 175.17 175.45 2k3i n LEU 72 N 4.83 0.00 -4.42 2.11 4.77 0.10 -4.92 117.00 119.47 2k3i n LEU 72 Ca 0.13 -0.16 -0.44 0.00 -0.03 0.00 0.00 56.01 55.50 2k3i n LEU 72 Cb 0.43 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2k3i n LEU 72 CO 0.59 -0.10 0.63 -0.70 -1.33 0.00 0.00 177.39 176.48 2k3i s GLU 73 N -2.10 3.10 0.00 3.23 2.56 -1.26 -3.89 118.70 120.34 2k3i s GLU 73 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.97 53.92 2k3i s GLU 73 Cb -0.00 -4.27 0.00 0.00 2.00 0.00 0.00 34.13 31.86 2k3i s GLU 73 CO 0.00 -1.71 0.00 0.41 -0.56 0.00 0.00 175.26 173.40 2k3i n GLY 74 N 5.31 0.57 3.80 -1.50 0.00 -1.26 -4.98 105.19 107.12 2k3i n GLY 74 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.63 2k3i n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3i n GLN 75 N -2.79 0.27 -3.99 1.61 10.64 -1.24 -4.85 117.38 117.04 2k3i n GLN 75 Ca 0.00 -0.89 -0.08 0.00 -1.83 0.00 0.00 57.00 54.19 2k3i n GLN 75 Cb 0.00 1.38 -0.10 0.00 -0.86 0.00 0.00 30.24 30.67 2k3i n GLN 75 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k3i s VAL 76 N -2.03 0.16 -0.24 -0.39 -7.23 0.15 0.02 120.40 110.84 2k3i s VAL 76 Ca 0.27 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 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 0.01 -0.73 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.35 2k3i s GLU 77 N -3.01 3.28 -0.44 4.82 2.12 0.50 -0.15 118.70 125.80 2k3i s GLU 77 Ca -0.01 -0.70 -0.21 0.00 0.36 0.00 0.00 54.97 54.40 2k3i s GLU 77 Cb 0.01 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.35 2k3i s GLU 77 CO -0.07 -0.26 0.68 -1.17 -0.54 0.00 0.00 175.26 173.90 2k3i s LEU 78 N 1.47 4.44 -0.08 2.70 1.98 -0.08 -1.00 118.68 128.11 2k3i s LEU 78 Ca 0.05 -0.29 0.03 0.00 -2.89 0.00 0.00 54.13 51.03 2k3i s LEU 78 Cb -0.15 -2.78 -0.02 0.00 0.66 0.00 0.00 46.19 43.90 2k3i s LEU 78 CO -0.02 -0.82 -0.17 -0.62 -1.89 0.00 0.00 176.35 172.83 2k3i s ASP 79 N 2.05 3.74 -0.12 3.68 2.15 -0.31 -1.24 116.67 126.61 2k3i s ASP 79 Ca 0.24 -0.33 -0.11 0.00 0.43 0.00 0.00 52.55 52.78 2k3i s ASP 79 Cb -0.14 -1.11 0.03 0.00 -0.30 0.00 0.00 42.92 41.41 2k3i s ASP 79 CO 0.20 0.25 0.33 0.00 -0.17 0.00 0.00 175.17 175.78 2k3i s ALA 80 N -0.20 -0.80 -0.30 3.66 0.00 0.25 0.45 121.76 124.82 2k3i s ALA 80 Ca -0.01 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2k3i s ALA 80 Cb -0.13 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.51 2k3i s ALA 80 CO 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 175.76 175.63 2k3i s ALA 81 N 0.17 2.79 -0.37 0.00 0.00 0.41 -0.55 121.76 124.21 2k3i s ALA 81 Ca -0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.00 2k3i s ALA 81 Cb -0.02 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 2k3i s ALA 81 CO 0.00 -1.30 0.26 -0.06 0.00 0.00 0.00 175.76 174.67 2k3i s PHE 82 N 1.21 3.23 -0.34 0.00 0.40 0.12 -0.68 117.98 121.92 2k3i s PHE 82 Ca -0.05 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 2k3i s PHE 82 Cb -0.20 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2k3i s PHE 82 CO -0.02 -0.46 0.46 0.99 0.70 0.00 0.00 175.22 176.89 2k3i s THR 83 N 1.70 5.07 0.49 0.64 2.01 0.13 -0.32 115.64 125.36 2k3i s THR 83 Ca 0.05 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.39 2k3i s THR 83 Cb -0.18 -3.91 0.09 0.00 0.01 0.00 0.00 72.50 68.51 2k3i s THR 83 CO 0.10 -0.15 0.68 0.49 -0.69 0.00 0.00 174.62 175.05 2k3i n PHE 84 N 5.61 -2.63 0.45 4.92 3.72 -0.04 -2.36 117.46 127.13 2k3i n PHE 84 Ca -0.06 -1.58 0.08 0.00 -0.05 0.00 0.00 57.45 55.84 2k3i n PHE 84 Cb 0.49 -0.48 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 2k3i n PHE 84 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k3i n SER 85 N -2.62 0.89 -4.11 4.37 3.41 -1.26 -4.88 113.62 109.42 2k3i n SER 85 Ca 0.13 -0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.14 2k3i n SER 85 Cb 0.47 1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 65.66 2k3i n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3i h GLN 87 N 3.39 0.00 -0.77 0.00 5.75 -1.94 -3.08 115.11 118.47 2k3i h GLN 87 Ca -0.34 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.22 2k3i h GLN 87 Cb 1.16 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.65 2k3i h GLN 87 CO 0.60 0.06 0.45 0.00 -2.65 0.00 0.00 178.83 177.29 2k3i h ALA 88 N 0.95 1.06 -0.34 3.38 0.00 -1.97 -1.50 119.26 120.84 2k3i h ALA 88 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2k3i h ALA 88 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k3i h ALA 88 CO -0.00 0.14 0.25 0.93 0.00 0.00 0.00 179.25 180.57 2k3i h GLU 89 N 0.81 0.00 0.26 0.00 5.08 -1.82 0.30 114.58 119.22 2k3i h GLU 89 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2k3i h GLU 89 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k3i h GLU 89 CO -0.19 0.00 -0.13 1.98 -1.00 0.00 0.00 179.01 179.67 2k3i h MET 90 N 0.00 -0.34 -0.14 2.33 4.05 -1.29 -2.92 114.93 116.62 2k3i h MET 90 Ca 0.16 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 2k3i h MET 90 Cb 0.66 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 2k3i h MET 90 CO -0.00 -0.12 -0.37 -0.84 0.23 0.00 0.00 176.91 175.81 2k3i h ILE 91 N -1.05 1.29 -0.02 1.77 3.07 -1.25 -1.95 117.51 119.37 2k3i h ILE 91 Ca -0.04 -1.43 -0.11 0.00 1.55 0.00 0.00 64.86 64.83 2k3i h ILE 91 Cb 0.37 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 2k3i h ILE 91 CO 0.06 0.43 -0.51 0.16 -1.05 0.00 0.00 178.15 177.24 2k3i h ILE 92 N 0.25 1.36 -0.19 0.16 3.07 -0.58 -2.40 117.51 119.18 2k3i h ILE 92 Ca 0.03 -1.75 -0.02 0.00 1.55 0.00 0.00 64.86 64.67 2k3i h ILE 92 Cb 0.77 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.23 2k3i h ILE 92 CO 0.06 0.50 0.05 0.15 -1.05 0.00 0.00 178.15 177.86 2k3i h PHE 93 N 0.04 0.32 -0.84 0.16 3.57 -1.17 0.14 116.94 119.16 2k3i h PHE 93 Ca -0.00 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2k3i h PHE 93 Cb 0.91 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2k3i h PHE 93 CO 0.00 0.42 0.54 0.93 -2.23 0.00 0.00 178.31 177.97 2k3i h GLU 94 N 0.12 1.02 -0.19 1.11 5.08 -1.29 -0.97 114.58 119.46 2k3i h GLU 94 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k3i h GLU 94 Cb 0.26 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k3i h GLU 94 CO 0.00 0.68 0.03 -0.07 -1.00 0.00 0.00 179.01 178.65 2k3i h LEU 95 N 1.05 0.31 -0.89 1.33 3.38 -1.18 -2.70 115.31 116.60 2k3i h LEU 95 Ca 0.33 -0.26 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2k3i h LEU 95 Cb 0.01 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 2k3i h LEU 95 CO -0.11 0.49 0.49 0.28 0.09 0.00 0.00 178.44 179.68 2k3i h SER 96 N 0.11 0.62 -0.33 -0.43 0.02 -0.22 0.43 113.55 113.75 2k3i h SER 96 Ca 0.06 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2k3i h SER 96 Cb 0.31 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2k3i h SER 96 CO 0.00 0.27 0.12 -0.07 -1.14 0.00 0.00 176.83 176.01 2k3i h LEU 97 N 0.69 0.15 -0.15 5.07 3.38 -0.96 0.18 115.31 123.68 2k3i h LEU 97 Ca 0.49 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.27 2k3i h LEU 97 Cb 0.67 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2k3i h LEU 97 CO -0.35 0.12 -0.97 0.03 0.09 0.00 0.00 178.44 177.35 2k3i h ARG 98 N 0.27 0.21 0.10 1.13 3.08 -0.94 -3.21 114.38 115.01 2k3i h ARG 98 Ca 0.15 -0.27 -0.26 0.00 0.07 0.00 0.00 59.98 59.67 2k3i h ARG 98 Cb 0.11 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k3i h ARG 98 CO -0.14 1.03 -1.16 0.77 -1.07 0.00 0.00 179.97 179.40 2k3i h SER 99 N 0.10 0.47 0.92 7.04 0.02 -0.05 -3.15 113.55 118.90 2k3i h SER 99 Ca -0.06 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2k3i h SER 99 Cb 1.64 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2k3i h SER 99 CO 0.15 1.32 0.00 0.25 -1.14 0.00 0.00 176.83 177.42 2k3i h LEU 100 N 0.12 0.00 -1.46 5.07 5.85 -1.03 -0.70 115.31 123.17 2k3i h LEU 100 Ca -0.12 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2k3i h LEU 100 Cb 1.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 2k3i h LEU 100 CO 0.19 0.00 -0.14 0.00 -0.34 0.00 0.00 178.44 178.15 2k3i h ALA 101 N 2.08 1.08 0.00 1.25 0.00 -1.55 -3.46 119.26 118.66 2k3i h ALA 101 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k3i h ALA 101 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3i h ALA 101 CO 0.00 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.71 2k3i n LEU 102 N -3.37 0.00 -0.34 0.00 4.77 -0.27 -4.14 117.00 113.65 2k3i n LEU 102 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2k3i n LEU 102 Cb 0.34 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.63 2k3i n LEU 102 CO 0.31 0.00 1.26 -0.08 -1.33 0.00 0.00 177.39 177.55 2k3i h GLU 103 N 0.00 1.11 -1.97 3.23 4.81 -1.89 -3.49 114.58 116.39 2k3i h GLU 103 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k3i h GLU 103 Cb 0.00 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2k3i h GLU 103 CO 0.00 0.74 -0.47 0.72 -0.73 0.00 0.00 179.01 179.26 2k3i n HIS 104 N -4.47 -2.32 0.07 0.92 8.25 -1.26 -5.08 115.22 111.32 2k3i n HIS 104 Ca 0.14 1.23 0.00 0.00 -0.26 0.00 0.00 57.72 58.82 2k3i n HIS 104 Cb 0.15 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 28.84 2k3i n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3i n HIS 105 N -0.58 -1.34 -2.79 4.41 -0.00 -1.26 -5.03 115.22 108.63 2k3i n HIS 105 Ca 0.00 0.25 -0.43 0.00 0.46 0.00 0.00 57.72 58.00 2k3i n HIS 105 Cb 0.00 0.67 -0.04 0.00 -0.12 0.00 0.00 29.99 30.50 2k3i n HIS 105 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k3i s HIS 106 N -1.43 2.98 -0.35 1.57 2.46 -1.26 -4.98 115.29 114.28 2k3i s HIS 106 Ca 0.00 0.61 -0.29 0.00 0.47 0.00 0.00 55.06 55.85 2k3i s HIS 106 Cb 0.00 -3.88 0.02 0.00 -0.13 0.00 0.00 32.58 28.59 2k3i s HIS 106 CO 0.00 -0.99 1.11 -1.01 -2.47 0.00 0.00 174.74 171.37 2k3i s HIS 107 N 3.71 3.05 -0.16 3.88 3.76 -1.26 -3.98 115.29 124.29 2k3i s HIS 107 Ca 0.39 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2k3i s HIS 107 Cb -0.11 -3.86 0.00 0.00 1.11 0.00 0.00 32.58 29.73 2k3i s HIS 107 CO 0.23 -0.94 0.00 1.58 -0.85 0.00 0.00 174.74 174.76 2k3i n HIS 108 N 7.12 0.00 -1.00 1.40 -0.00 -1.26 -5.27 115.22 116.22 2k3i n HIS 108 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2k3i n HIS 108 Cb 0.47 -1.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.21 2k3i n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52