#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 -0.38 -0.26 -5.12 0.00 -1.26 -5.10 121.76 109.64 2k3i s ALA 2 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2k3i s ALA 2 Cb 0.00 -1.86 0.15 0.00 0.00 0.00 0.00 23.12 21.42 2k3i s ALA 2 CO 0.00 -1.85 0.48 0.00 0.00 0.00 0.00 175.76 174.39 2k3i s MET 3 N 2.05 0.44 0.03 0.00 0.00 -1.26 -5.03 119.30 115.54 2k3i s MET 3 Ca 0.12 0.80 0.09 0.00 0.00 0.00 0.00 55.69 56.70 2k3i s MET 3 Cb -0.15 0.05 -0.22 0.00 0.00 0.00 0.00 34.83 34.51 2k3i s MET 3 CO -0.24 -0.58 0.95 -0.22 0.00 0.00 0.00 175.02 174.93 2k3i h LYS 4 N 8.10 0.01 -4.75 3.16 1.63 -2.09 -3.44 116.57 119.19 2k3i h LYS 4 Ca -0.21 -0.02 -0.63 0.00 -0.85 0.00 0.00 60.65 58.94 2k3i h LYS 4 Cb 1.15 0.01 -0.36 0.00 -0.60 0.00 0.00 32.23 32.43 2k3i h LYS 4 CO 0.25 0.75 -0.83 0.34 -3.45 0.00 0.00 179.45 176.52 2k3i s ASP 5 N -6.42 3.29 -0.10 4.20 2.15 -1.26 -5.11 116.67 113.43 2k3i s ASP 5 Ca -0.02 -0.80 -0.17 0.00 0.43 0.00 0.00 52.55 51.98 2k3i s ASP 5 Cb 0.09 -1.32 -0.04 0.00 -0.30 0.00 0.00 42.92 41.35 2k3i s ASP 5 CO 0.82 -0.09 0.46 0.68 -0.17 0.00 0.00 175.17 176.87 2k3i s VAL 6 N 1.36 5.17 -0.25 1.11 -7.23 -1.26 -5.06 120.40 114.23 2k3i s VAL 6 Ca 0.01 0.92 -0.09 0.00 -1.81 0.00 0.00 61.98 61.00 2k3i s VAL 6 Cb -0.15 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 2k3i s VAL 6 CO -0.10 0.37 0.13 -0.69 -0.31 0.00 0.00 175.10 174.50 2k3i s VAL 7 N 0.37 4.98 -0.29 1.32 1.01 -1.26 -5.04 120.40 121.49 2k3i s VAL 7 Ca 0.25 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 2k3i s VAL 7 Cb -0.15 -3.33 0.13 0.00 0.00 0.00 0.00 36.38 33.03 2k3i s VAL 7 CO 0.10 0.33 0.62 -0.62 0.00 0.00 0.00 175.10 175.53 2k3i s ASP 8 N 1.35 -1.07 -0.40 3.32 -1.08 -1.26 -5.13 116.67 112.41 2k3i s ASP 8 Ca 0.06 1.42 -0.17 0.00 -0.52 0.00 0.00 52.55 53.33 2k3i s ASP 8 Cb -0.15 2.18 0.01 0.00 -1.46 0.00 0.00 42.92 43.50 2k3i s ASP 8 CO 0.06 -0.23 0.46 -0.54 0.52 0.00 0.00 175.17 175.44 2k3i s LYS 9 N 2.86 3.26 -0.67 4.34 1.02 -1.26 -5.01 119.74 124.29 2k3i s LYS 9 Ca -0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.35 2k3i s LYS 9 Cb -0.12 -3.92 0.17 0.00 -0.52 0.00 0.00 37.83 33.44 2k3i s LYS 9 CO -0.19 -0.79 0.50 0.00 -0.92 0.00 0.00 175.35 173.95 2k3i s SER 11 N 0.66 7.52 -1.11 0.00 0.15 -1.26 -4.96 113.70 114.71 2k3i s SER 11 Ca 0.18 1.80 -0.22 0.00 0.70 0.00 0.00 55.95 58.42 2k3i s SER 11 Cb -0.18 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2k3i s SER 11 CO -0.04 0.09 1.67 -0.89 1.20 0.00 0.00 173.24 175.26 2k3i s THR 12 N -0.71 3.87 -0.32 6.45 2.01 -1.26 -4.75 115.64 120.93 2k3i s THR 12 Ca 0.42 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.40 2k3i s THR 12 Cb -0.24 -4.89 0.19 0.00 0.01 0.00 0.00 72.50 67.56 2k3i s THR 12 CO 0.30 -1.72 0.57 -1.59 -0.69 0.00 0.00 174.62 171.49 2k3i s LYS 13 N 5.21 0.61 -0.72 4.92 -2.85 -1.26 -5.04 119.74 120.61 2k3i s LYS 13 Ca 0.55 0.26 0.01 0.00 -1.00 0.00 0.00 55.97 55.79 2k3i s LYS 13 Cb 0.00 0.12 0.36 0.00 -2.06 0.00 0.00 37.83 36.25 2k3i s LYS 13 CO -0.01 -1.09 1.54 0.41 0.10 0.00 0.00 175.35 176.30 2k3i n GLY 14 N 5.13 5.81 3.53 0.59 0.00 -1.26 -4.95 105.19 114.04 2k3i n GLY 14 Ca 0.06 -2.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.01 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 3.04 0.10 -0.34 0.00 0.00 -1.26 -5.11 121.76 118.19 2k3i s ALA 16 Ca 0.49 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 2k3i s ALA 16 Cb 0.01 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.75 2k3i s ALA 16 CO 0.04 -1.45 1.02 -1.50 0.00 0.00 0.00 175.76 173.87 2k3i s ILE 17 N 2.23 4.53 -0.28 0.00 1.10 -1.26 -4.99 121.20 122.53 2k3i s ILE 17 Ca 0.07 1.53 -0.21 0.00 -0.51 0.00 0.00 60.65 61.53 2k3i s ILE 17 Cb -0.15 -4.39 0.08 0.00 0.15 0.00 0.00 42.46 38.15 2k3i s ILE 17 CO -0.24 -0.51 0.74 -0.62 -2.11 0.00 0.00 174.94 172.20 2k3i s ASP 18 N 1.76 -0.80 -0.00 4.50 2.15 -1.26 -5.02 116.67 118.00 2k3i s ASP 18 Ca 0.43 1.40 0.21 0.00 0.43 0.00 0.00 52.55 55.02 2k3i s ASP 18 Cb -0.12 1.38 -0.24 0.00 -0.30 0.00 0.00 42.92 43.65 2k3i s ASP 18 CO 0.17 -0.23 0.85 -0.38 -0.17 0.00 0.00 175.17 175.41 2k3i n ILE 19 N 3.36 0.00 0.00 4.11 2.08 -1.26 -4.95 119.36 122.70 2k3i n ILE 19 Ca -0.17 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2k3i n ILE 19 Cb 0.57 0.85 0.00 0.00 -0.75 0.00 0.00 39.64 40.31 2k3i n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k3i n GLY 20 N 1.47 1.13 3.54 7.39 0.00 -1.26 -5.05 105.19 112.40 2k3i n GLY 20 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.83 -0.21 2.61 2.01 -1.26 -4.99 115.64 115.64 2k3i s THR 21 Ca 0.00 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 2k3i s THR 21 Cb 0.00 -4.87 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 2k3i s THR 21 CO 0.00 -1.76 0.04 0.54 -0.69 0.00 0.00 174.62 172.75 2k3i s VAL 22 N 5.42 4.35 -0.05 3.82 0.11 -1.26 -4.99 120.40 127.81 2k3i s VAL 22 Ca 0.33 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2k3i s VAL 22 Cb -0.09 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2k3i s VAL 22 CO 0.15 0.41 -0.06 -0.51 -3.33 0.00 0.00 175.10 171.76 2k3i s ILE 23 N 0.98 0.64 0.00 7.04 2.07 -1.26 -5.10 121.20 125.57 2k3i s ILE 23 Ca 0.03 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 2k3i s ILE 23 Cb -0.14 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2k3i s ILE 23 CO 0.02 0.25 0.36 -0.67 -1.91 0.00 0.00 174.94 173.00 2k3i n ASP 24 N 4.03 0.00 -3.63 4.50 -0.08 -1.26 -4.97 116.55 115.14 2k3i n ASP 24 Ca -0.24 0.39 -0.13 0.00 -1.51 0.00 0.00 54.79 53.31 2k3i n ASP 24 Cb 0.51 -0.08 -0.07 0.00 2.34 0.00 0.00 41.12 43.82 2k3i n ASP 24 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k3i s ASN 25 N -1.75 -0.72 0.00 1.67 2.20 -1.26 -5.16 114.94 109.92 2k3i s ASN 25 Ca 0.00 1.37 0.00 0.00 -0.94 0.00 0.00 52.86 53.29 2k3i s ASN 25 Cb 0.00 1.38 0.00 0.00 -2.00 0.00 0.00 41.25 40.63 2k3i s ASN 25 CO 0.00 -0.23 0.00 0.47 -2.94 0.00 0.00 177.10 174.40 2k3i n ASP 26 N 2.77 1.16 -4.48 3.54 8.00 -1.26 -5.17 116.55 121.12 2k3i n ASP 26 Ca -0.14 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.09 2k3i n ASP 26 Cb 0.55 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.79 2k3i n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3i s ASN 27 N 1.97 3.88 -0.07 -2.24 6.03 -1.26 -5.00 114.94 118.24 2k3i s ASN 27 Ca 0.00 0.05 0.17 0.00 -1.03 0.00 0.00 52.86 52.05 2k3i s ASN 27 Cb 0.00 -0.33 0.56 0.00 -3.03 0.00 0.00 41.25 38.45 2k3i s ASN 27 CO 0.00 -2.21 1.48 0.00 -2.03 0.00 0.00 177.10 174.34 2k3i s THR 29 N -1.59 4.40 -0.22 0.00 2.01 -1.25 -0.72 115.64 118.27 2k3i s THR 29 Ca 0.41 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2k3i s THR 29 Cb 0.26 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2k3i s THR 29 CO 0.21 0.34 0.24 -0.55 -0.69 0.00 0.00 174.62 174.17 2k3i s SER 30 N 1.58 6.23 -0.38 3.53 0.15 0.38 -4.87 113.70 120.32 2k3i s SER 30 Ca 0.06 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.83 2k3i s SER 30 Cb -0.15 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2k3i s SER 30 CO 0.04 0.02 0.27 -0.54 1.20 0.00 0.00 173.24 174.23 2k3i s LYS 31 N 1.11 3.15 -0.19 5.44 3.01 -1.26 -1.23 119.74 129.76 2k3i s LYS 31 Ca 0.12 -0.89 0.01 0.00 -1.01 0.00 0.00 55.97 54.20 2k3i s LYS 31 Cb -0.14 -3.88 0.03 0.00 -1.01 0.00 0.00 37.83 32.83 2k3i s LYS 31 CO 0.05 -0.63 -0.17 0.12 0.51 0.00 0.00 175.35 175.23 2k3i s PHE 32 N 1.68 2.80 -0.26 3.18 5.36 0.11 -4.97 117.98 125.88 2k3i s PHE 32 Ca 0.05 -1.74 -0.01 0.00 -0.96 0.00 0.00 56.93 54.27 2k3i s PHE 32 Cb -0.18 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2k3i s PHE 32 CO 0.10 -0.81 -0.04 -1.12 -1.46 0.00 0.00 175.22 171.88 2k3i s SER 33 N 1.28 4.50 -0.05 6.13 0.01 -1.26 0.12 113.70 124.43 2k3i s SER 33 Ca 0.02 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.31 2k3i s SER 33 Cb -0.14 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2k3i s SER 33 CO -0.11 -0.17 -0.21 -0.60 0.41 0.00 0.00 173.24 172.56 2k3i s ARG 34 N 1.29 2.17 -0.14 12.44 3.00 0.21 -4.96 118.95 132.95 2k3i s ARG 34 Ca -0.02 -0.74 -0.17 0.00 -1.00 0.00 0.00 55.73 53.79 2k3i s ARG 34 Cb -0.18 -1.84 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 2k3i s ARG 34 CO -0.03 0.29 0.45 -0.06 0.00 0.00 0.00 175.30 175.95 2k3i s PHE 35 N -0.02 3.47 0.39 5.12 0.08 -1.26 -0.27 117.98 125.49 2k3i s PHE 35 Ca -0.05 0.81 0.07 0.00 0.12 0.00 0.00 56.93 57.88 2k3i s PHE 35 Cb -0.13 -2.54 -0.08 0.00 -0.57 0.00 0.00 43.02 39.71 2k3i s PHE 35 CO 0.03 0.12 -0.00 -0.06 -0.10 0.00 0.00 175.22 175.21 2k3i s PHE 36 N 0.82 2.42 -0.02 0.36 0.08 0.22 -4.94 117.98 116.92 2k3i s PHE 36 Ca 0.24 -0.68 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 2k3i s PHE 36 Cb -0.15 -1.64 -0.13 0.00 -0.57 0.00 0.00 43.02 40.53 2k3i s PHE 36 CO 0.09 0.41 0.91 0.00 -0.10 0.00 0.00 175.22 176.54 2k3i h ALA 37 N 1.87 -0.56 -1.95 5.36 0.00 -1.89 0.28 119.26 122.37 2k3i h ALA 37 Ca -0.43 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 53.70 2k3i h ALA 37 Cb 1.24 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2k3i h ALA 37 CO 0.78 -0.58 -0.68 0.95 0.00 0.00 0.00 179.25 179.72 2k3i s THR 38 N -3.95 2.16 0.33 0.00 -4.23 -1.26 -3.77 115.64 104.92 2k3i s THR 38 Ca -0.12 -2.19 0.33 0.00 -1.18 0.00 0.00 61.69 58.54 2k3i s THR 38 Cb 0.01 -2.63 0.36 0.00 1.34 0.00 0.00 72.50 71.58 2k3i s THR 38 CO 0.39 -0.21 2.08 0.08 -0.54 0.00 0.00 174.62 176.42 2k3i h ARG 39 N 2.05 0.00 -0.23 3.99 0.11 -1.92 -2.00 114.38 116.38 2k3i h ARG 39 Ca -0.42 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.61 2k3i h ARG 39 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2k3i h ARG 39 CO 0.70 0.06 -0.06 0.93 0.10 0.00 0.00 179.97 181.70 2k3i h GLU 40 N 0.00 0.45 -0.08 0.08 5.08 -1.99 -1.62 114.58 116.49 2k3i h GLU 40 Ca -0.00 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k3i h GLU 40 Cb 0.37 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k3i h GLU 40 CO 0.01 0.69 0.07 0.93 -1.00 0.00 0.00 179.01 179.71 2k3i h GLU 41 N 0.18 0.00 0.04 2.33 4.39 -1.77 0.02 114.58 119.77 2k3i h GLU 41 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2k3i h GLU 41 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2k3i h GLU 41 CO 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.85 2k3i h ALA 42 N 1.94 -0.06 -0.57 3.43 0.00 -1.11 -2.46 119.26 120.44 2k3i h ALA 42 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2k3i h ALA 42 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2k3i h ALA 42 CO -0.00 -0.18 0.22 0.93 0.00 0.00 0.00 179.25 180.22 2k3i h GLU 43 N -0.76 0.82 0.00 0.00 4.39 -1.03 -0.65 114.58 117.35 2k3i h GLU 43 Ca -0.01 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 2k3i h GLU 43 Cb 0.65 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2k3i h GLU 43 CO 0.01 0.68 -0.24 0.77 -1.16 0.00 0.00 179.01 179.07 2k3i h SER 44 N 0.81 0.00 0.13 1.42 0.02 -1.03 -0.27 113.55 114.63 2k3i h SER 44 Ca 0.19 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 2k3i h SER 44 Cb 0.17 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.73 2k3i h SER 44 CO -0.02 0.24 -0.79 0.15 -1.14 0.00 0.00 176.83 175.27 2k3i h PHE 45 N 0.00 0.54 -0.39 3.45 3.57 -0.82 -3.31 116.94 119.97 2k3i h PHE 45 Ca -0.00 -0.39 -0.14 0.00 3.53 0.00 0.00 57.97 60.96 2k3i h PHE 45 Cb 0.47 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2k3i h PHE 45 CO 0.00 1.30 -0.33 1.98 -2.23 0.00 0.00 178.31 179.03 2k3i h MET 46 N -0.37 0.89 -0.52 1.11 4.05 -0.93 -1.33 114.93 117.83 2k3i h MET 46 Ca -0.14 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 2k3i h MET 46 Cb 1.61 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.39 2k3i h MET 46 CO 0.15 1.08 0.34 1.15 0.23 0.00 0.00 176.91 179.86 2k3i h THR 47 N 0.74 1.14 0.00 -0.77 2.02 -1.20 -1.09 112.91 113.76 2k3i h THR 47 Ca 0.08 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2k3i h THR 47 Cb 0.90 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2k3i h THR 47 CO 0.08 0.13 -0.48 0.07 0.37 0.00 0.00 175.52 175.69 2k3i h LYS 48 N 0.71 0.00 0.00 6.66 5.09 -1.64 -2.73 116.57 124.66 2k3i h LYS 48 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.91 2k3i h LYS 48 Cb -0.07 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.26 2k3i h LYS 48 CO -0.04 0.48 -0.08 -0.07 -2.09 0.00 0.00 179.45 177.65 2k3i h LEU 49 N 0.00 0.00 -1.51 7.07 -0.00 -0.22 -1.15 115.31 119.51 2k3i h LEU 49 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k3i h LEU 49 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 2k3i h LEU 49 CO 0.06 0.08 0.28 0.11 -0.00 0.00 0.00 178.44 178.98 2k3i h LYS 50 N 0.00 0.61 -0.45 1.13 6.56 -0.91 0.48 116.57 123.99 2k3i h LYS 50 Ca -0.00 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.48 2k3i h LYS 50 Cb 0.15 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 2k3i h LYS 50 CO 0.01 0.43 0.05 0.93 -2.06 0.00 0.00 179.45 178.81 2k3i h GLU 51 N 0.63 0.76 0.01 3.15 4.39 -1.31 -1.63 114.58 120.58 2k3i h GLU 51 Ca 0.17 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k3i h GLU 51 Cb -0.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2k3i h GLU 51 CO -0.03 0.80 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.54 2k3i h LEU 52 N 0.62 -0.02 -0.92 1.33 3.38 -1.11 -2.42 115.31 116.18 2k3i h LEU 52 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k3i h LEU 52 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2k3i h LEU 52 CO 0.01 0.12 0.38 0.00 0.09 0.00 0.00 178.44 179.04 2k3i h ALA 53 N 0.83 1.16 -0.70 1.53 0.00 -0.93 0.46 119.26 121.61 2k3i h ALA 53 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k3i h ALA 53 Cb 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2k3i h ALA 53 CO 0.00 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.27 2k3i h ALA 54 N 1.27 0.90 0.00 0.00 0.00 -1.18 -1.09 119.26 119.15 2k3i h ALA 54 Ca 0.28 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2k3i h ALA 54 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k3i h ALA 54 CO -0.03 0.41 -0.74 0.00 0.00 0.00 0.00 179.25 178.89 2k3i h ALA 55 N 1.19 0.56 0.12 0.00 0.00 -1.09 -2.33 119.26 117.71 2k3i h ALA 55 Ca 0.25 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2k3i h ALA 55 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k3i h ALA 55 CO -0.04 0.87 -0.06 0.00 0.00 0.00 0.00 179.25 180.02 2k3i h ALA 56 N 1.32 -0.16 0.00 0.00 0.00 -0.63 -3.41 119.26 116.37 2k3i h ALA 56 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k3i h ALA 56 Cb 1.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2k3i h ALA 56 CO 0.09 -0.26 -0.14 1.03 0.00 0.00 0.00 179.25 179.96 2k3i h SER 57 N -0.82 0.00 -0.39 0.00 0.87 -1.33 -3.46 113.55 108.42 2k3i h SER 57 Ca -0.02 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2k3i h SER 57 Cb 0.56 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 2k3i h SER 57 CO 0.03 0.25 -0.15 -1.20 -0.53 0.00 0.00 176.83 175.22 2k3i n SER 58 N -3.07 -4.58 0.00 6.23 7.64 -0.88 -4.93 113.62 114.04 2k3i n SER 58 Ca -0.02 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2k3i n SER 58 Cb 0.08 -2.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 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 1.15 -0.07 -0.07 -0.43 0.00 -1.26 -4.73 120.51 115.10 2k3i n ALA 59 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2k3i n ALA 59 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 2k3i n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k3i n ASP 60 N -0.72 1.53 0.00 0.00 2.03 -1.26 -4.86 116.55 113.26 2k3i n ASP 60 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2k3i n ASP 60 Cb 0.00 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 2k3i n ASP 60 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k3i n GLU 61 N -4.04 1.77 0.00 -0.67 2.13 -1.26 -5.04 120.64 113.53 2k3i n GLU 61 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2k3i n GLU 61 Cb 0.41 -0.85 0.00 0.00 0.27 0.00 0.00 31.44 31.27 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 1.77 0.05 4.91 8.31 0.00 -1.26 -4.06 105.19 114.90 2k3i n GLY 62 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.91 2k3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i n ALA 63 N 0.00 -1.10 -3.27 4.61 0.00 -1.26 -4.41 120.51 115.08 2k3i n ALA 63 Ca 0.00 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 2k3i n ALA 63 Cb 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 2k3i n ALA 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k3i s SER 64 N -4.81 4.57 -0.27 0.00 0.01 -0.09 -4.93 113.70 108.18 2k3i s SER 64 Ca 0.00 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 2k3i s SER 64 Cb 0.00 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.44 2k3i s SER 64 CO 0.00 0.03 0.08 0.54 0.41 0.00 0.00 173.24 174.29 2k3i s VAL 65 N 1.21 4.14 -0.37 3.43 0.11 -1.26 -0.18 120.40 127.48 2k3i s VAL 65 Ca 0.03 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2k3i s VAL 65 Cb -0.14 -3.04 0.11 0.00 -1.53 0.00 0.00 36.38 31.77 2k3i s VAL 65 CO 0.00 0.20 0.10 0.00 -3.33 0.00 0.00 175.10 172.07 2k3i s ALA 66 N 1.56 2.99 0.25 1.54 0.00 0.40 -5.00 121.76 123.50 2k3i s ALA 66 Ca 0.05 -2.63 0.11 0.00 0.00 0.00 0.00 51.96 49.49 2k3i s ALA 66 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 2k3i s ALA 66 CO 0.03 -1.75 -0.20 1.52 0.00 0.00 0.00 175.76 175.36 2k3i s TYR 67 N 0.80 2.19 0.14 0.00 1.13 -1.26 -1.13 117.35 119.21 2k3i s TYR 67 Ca 0.11 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 2k3i s TYR 67 Cb -0.20 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.63 2k3i s TYR 67 CO -0.07 0.60 -0.02 0.15 -2.51 0.00 0.00 175.55 173.71 2k3i s LYS 68 N -3.32 0.99 -0.27 -3.49 1.02 0.12 -4.99 119.74 109.80 2k3i s LYS 68 Ca 0.26 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2k3i s LYS 68 Cb -0.05 -0.18 0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2k3i s LYS 68 CO 0.12 -0.11 0.02 0.42 -0.92 0.00 0.00 175.35 174.89 2k3i s ILE 69 N -3.70 1.35 -0.29 2.17 1.01 -1.26 -0.99 121.20 119.50 2k3i s ILE 69 Ca 0.20 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2k3i s ILE 69 Cb 0.06 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2k3i s ILE 69 CO 0.00 -0.39 0.51 -0.75 0.00 0.00 0.00 174.94 174.32 2k3i s LYS 70 N 1.42 3.93 -0.53 2.79 2.20 0.29 -4.91 119.74 124.94 2k3i s LYS 70 Ca 0.03 0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.52 2k3i s LYS 70 Cb -0.18 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2k3i s LYS 70 CO -0.13 -0.44 1.34 0.34 -0.36 0.00 0.00 175.35 176.10 2k3i s ASP 71 N 1.62 6.28 0.27 1.43 -1.08 -1.26 -0.28 116.67 123.66 2k3i s ASP 71 Ca 0.20 0.38 0.04 0.00 -0.52 0.00 0.00 52.55 52.66 2k3i s ASP 71 Cb -0.15 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.80 2k3i s ASP 71 CO 0.11 -1.56 0.36 0.18 0.52 0.00 0.00 175.17 174.77 2k3i n LEU 72 N 9.03 0.00 -4.37 -1.34 4.77 -0.27 -4.98 117.00 119.84 2k3i n LEU 72 Ca 0.12 -1.22 -0.45 0.00 -0.03 0.00 0.00 56.01 54.44 2k3i n LEU 72 Cb 0.49 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2k3i n LEU 72 CO 0.71 -0.58 0.41 -1.83 -1.33 0.00 0.00 177.39 174.78 2k3i s GLU 73 N -3.23 3.06 0.00 3.23 -1.05 -1.26 -3.99 118.70 115.47 2k3i s GLU 73 Ca 0.27 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.72 2k3i s GLU 73 Cb -0.02 -4.29 0.00 0.00 -0.44 0.00 0.00 34.13 29.38 2k3i s GLU 73 CO 0.17 -1.54 0.00 0.41 0.95 0.00 0.00 175.26 175.26 2k3i n GLY 74 N 5.26 0.75 3.92 -3.83 0.00 -1.26 -4.99 105.19 105.04 2k3i n GLY 74 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.52 1.05 0.06 1.61 -2.07 -1.25 -4.85 119.66 113.68 2k3i s GLN 75 Ca 0.00 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 52.87 2k3i s GLN 75 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 2k3i s GLN 75 CO 0.00 -0.49 -0.06 0.14 -1.32 0.00 0.00 175.29 173.56 2k3i s VAL 76 N -2.09 0.45 -0.33 3.63 -7.23 0.99 -1.11 120.40 114.71 2k3i s VAL 76 Ca 0.25 -1.44 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 2k3i s VAL 76 Cb -0.02 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.89 2k3i s VAL 76 CO 0.04 -0.66 0.17 -0.70 -0.31 0.00 0.00 175.10 173.63 2k3i s GLU 77 N -2.66 3.13 -0.45 4.82 2.12 0.61 -0.61 118.70 125.66 2k3i s GLU 77 Ca -0.01 -0.87 -0.20 0.00 0.36 0.00 0.00 54.97 54.25 2k3i s GLU 77 Cb -0.02 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.78 2k3i s GLU 77 CO -0.03 -0.53 0.59 -1.17 -0.54 0.00 0.00 175.26 173.58 2k3i s LEU 78 N 1.58 4.68 -0.29 2.70 1.98 0.63 -0.54 118.68 129.41 2k3i s LEU 78 Ca 0.03 -0.53 -0.03 0.00 -2.89 0.00 0.00 54.13 50.71 2k3i s LEU 78 Cb -0.18 -2.59 0.04 0.00 0.66 0.00 0.00 46.19 44.12 2k3i s LEU 78 CO 0.06 -0.76 0.01 -0.62 -1.89 0.00 0.00 176.35 173.15 2k3i s ASP 79 N 2.09 4.84 -0.09 3.68 2.15 -0.16 -0.62 116.67 128.56 2k3i s ASP 79 Ca 0.19 -1.07 0.01 0.00 0.43 0.00 0.00 52.55 52.11 2k3i s ASP 79 Cb -0.16 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.69 2k3i s ASP 79 CO 0.16 -0.23 -0.11 0.00 -0.17 0.00 0.00 175.17 174.83 2k3i s ALA 80 N 1.33 2.78 -0.25 3.66 0.00 0.12 0.14 121.76 129.55 2k3i s ALA 80 Ca -0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k3i s ALA 80 Cb -0.19 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 21.84 2k3i s ALA 80 CO -0.01 0.44 0.02 0.00 0.00 0.00 0.00 175.76 176.21 2k3i s ALA 81 N -0.36 1.65 -0.29 0.00 0.00 -0.28 0.06 121.76 122.53 2k3i s ALA 81 Ca 0.04 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 2k3i s ALA 81 Cb -0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2k3i s ALA 81 CO 0.02 -1.34 0.12 -0.06 0.00 0.00 0.00 175.76 174.50 2k3i s PHE 82 N 1.55 3.15 -0.45 0.00 0.40 -0.37 -0.45 117.98 121.81 2k3i s PHE 82 Ca 0.01 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.54 2k3i s PHE 82 Cb -0.18 -2.31 0.04 0.00 0.51 0.00 0.00 43.02 41.09 2k3i s PHE 82 CO -0.12 -0.46 0.45 0.99 0.70 0.00 0.00 175.22 176.78 2k3i s THR 83 N 1.59 5.11 0.63 0.64 2.01 0.75 -0.47 115.64 125.90 2k3i s THR 83 Ca 0.05 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 2k3i s THR 83 Cb -0.17 -4.11 0.06 0.00 0.01 0.00 0.00 72.50 68.30 2k3i s THR 83 CO 0.05 -0.54 0.89 -0.36 -0.69 0.00 0.00 174.62 173.97 2k3i s PHE 84 N 2.04 2.58 -0.01 4.92 0.40 0.11 -0.92 117.98 127.09 2k3i s PHE 84 Ca 0.09 0.05 -0.23 0.00 -0.60 0.00 0.00 56.93 56.25 2k3i s PHE 84 Cb -0.20 -2.94 -0.21 0.00 0.51 0.00 0.00 43.02 40.18 2k3i s PHE 84 CO 0.11 -1.22 1.14 0.77 0.70 0.00 0.00 175.22 176.72 2k3i h SER 85 N -0.26 0.30 -4.41 1.36 0.02 -1.98 -3.45 113.55 105.13 2k3i h SER 85 Ca -0.41 -0.67 -0.26 0.00 -0.84 0.00 0.00 61.79 59.60 2k3i h SER 85 Cb 1.29 -0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 2k3i h SER 85 CO 0.51 0.93 -0.71 0.00 -1.14 0.00 0.00 176.83 176.42 2k3i h GLN 87 N 3.06 0.00 -0.98 0.00 4.15 -1.89 -1.82 115.11 117.62 2k3i h GLN 87 Ca -0.36 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.14 2k3i h GLN 87 Cb 1.18 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 2k3i h GLN 87 CO 0.62 0.01 0.63 0.00 -1.93 0.00 0.00 178.83 178.16 2k3i h ALA 88 N 1.99 1.46 0.00 3.38 0.00 -1.99 0.37 119.26 124.48 2k3i h ALA 88 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2k3i h ALA 88 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2k3i h ALA 88 CO 0.00 0.37 -0.57 0.93 0.00 0.00 0.00 179.25 179.98 2k3i h GLU 89 N 1.10 0.00 -0.01 0.00 5.08 -1.65 -2.99 114.58 116.11 2k3i h GLU 89 Ca 0.44 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 2k3i h GLU 89 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k3i h GLU 89 CO -0.19 0.57 -0.33 1.98 -1.00 0.00 0.00 179.01 180.04 2k3i h MET 90 N 0.00 0.25 -0.69 2.33 4.05 -1.13 -2.64 114.93 117.09 2k3i h MET 90 Ca -0.01 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.11 2k3i h MET 90 Cb 1.10 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 2k3i h MET 90 CO 0.07 0.95 0.22 -0.84 0.23 0.00 0.00 176.91 177.54 2k3i h ILE 91 N -0.36 1.25 -0.09 1.77 3.07 -1.05 0.01 117.51 122.11 2k3i h ILE 91 Ca -0.04 -0.87 -0.07 0.00 1.55 0.00 0.00 64.86 65.42 2k3i h ILE 91 Cb 1.05 0.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 2k3i h ILE 91 CO 0.07 0.34 -0.28 0.16 -1.05 0.00 0.00 178.15 177.38 2k3i h ILE 92 N 1.01 1.24 -0.11 0.16 3.07 -1.62 -1.92 117.51 119.35 2k3i h ILE 92 Ca 0.22 -1.14 -0.03 0.00 1.55 0.00 0.00 64.86 65.47 2k3i h ILE 92 Cb 0.30 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 38.33 2k3i h ILE 92 CO -0.01 0.34 -0.03 0.15 -1.05 0.00 0.00 178.15 177.55 2k3i h PHE 93 N 0.15 0.24 -0.65 0.16 3.57 -0.98 -0.95 116.94 118.48 2k3i h PHE 93 Ca 0.02 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.53 2k3i h PHE 93 Cb 0.59 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 2k3i h PHE 93 CO 0.01 0.53 0.35 0.93 -2.23 0.00 0.00 178.31 177.89 2k3i h GLU 94 N -0.11 0.62 -0.38 1.11 4.39 -0.81 -0.13 114.58 119.27 2k3i h GLU 94 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k3i h GLU 94 Cb 0.45 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2k3i h GLU 94 CO 0.01 0.41 0.19 -0.07 -1.16 0.00 0.00 179.01 178.39 2k3i h LEU 95 N 0.64 0.50 -1.56 1.33 3.38 -1.26 -2.57 115.31 115.76 2k3i h LEU 95 Ca 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2k3i h LEU 95 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k3i h LEU 95 CO -0.20 0.48 0.07 0.28 0.09 0.00 0.00 178.44 179.16 2k3i h SER 96 N 0.48 0.32 -0.27 -0.43 0.02 -0.49 -0.57 113.55 112.61 2k3i h SER 96 Ca 0.13 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2k3i h SER 96 Cb 0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k3i h SER 96 CO -0.02 0.32 0.14 -0.07 -1.14 0.00 0.00 176.83 176.07 2k3i h LEU 97 N 0.35 0.34 -0.68 5.07 3.38 -0.66 -1.48 115.31 121.63 2k3i h LEU 97 Ca 0.09 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2k3i h LEU 97 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2k3i h LEU 97 CO -0.00 0.34 0.06 0.03 0.09 0.00 0.00 178.44 178.96 2k3i h ARG 98 N 0.31 1.08 0.00 1.13 -0.00 -1.03 -2.24 114.38 113.64 2k3i h ARG 98 Ca 0.09 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 2k3i h ARG 98 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 29.94 2k3i h ARG 98 CO -0.01 1.02 0.00 0.43 0.00 0.00 0.00 179.97 181.40 2k3i n SER 99 N -4.20 0.03 -0.10 7.04 7.64 -0.29 -0.50 113.62 123.25 2k3i n SER 99 Ca 0.04 0.51 -0.18 0.00 1.01 0.00 0.00 58.87 60.25 2k3i n SER 99 Cb 0.31 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.53 1.85 0.10 -3.43 0.00 -0.58 -2.64 117.00 110.77 2k3i n LEU 100 Ca 0.04 0.47 0.01 0.00 0.00 0.00 0.00 56.01 56.53 2k3i n LEU 100 Cb 0.20 -0.93 0.34 0.00 0.00 0.00 0.00 43.42 43.03 2k3i n LEU 100 CO 0.16 0.09 0.84 0.00 0.00 0.00 0.00 177.39 178.48 2k3i h ALA 101 N -0.68 1.40 -2.75 1.96 0.00 -1.40 -3.36 119.26 114.43 2k3i h ALA 101 Ca -0.28 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 2k3i h ALA 101 Cb 1.11 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.41 2k3i h ALA 101 CO -0.17 0.42 -0.81 -0.51 0.00 0.00 0.00 179.25 178.18 2k3i s LEU 102 N -8.70 1.49 0.42 0.00 1.02 0.35 -5.11 118.68 108.15 2k3i s LEU 102 Ca -0.06 -2.18 -0.22 0.00 0.02 0.00 0.00 54.13 51.69 2k3i s LEU 102 Cb 0.15 -0.60 -0.10 0.00 0.02 0.00 0.00 46.19 45.66 2k3i s LEU 102 CO 0.75 -0.32 0.97 -1.83 0.02 0.00 0.00 176.35 175.94 2k3i s GLU 103 N 1.01 4.22 2.07 1.70 -1.05 -1.08 -3.94 118.70 121.63 2k3i s GLU 103 Ca 0.16 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 2k3i s GLU 103 Cb -0.22 -2.31 0.00 0.00 -0.44 0.00 0.00 34.13 31.16 2k3i s GLU 103 CO -0.04 -0.05 0.00 0.72 0.95 0.00 0.00 175.26 176.84 2k3i n HIS 104 N -0.43 -1.36 -0.54 4.83 8.25 -1.26 -5.05 115.22 119.66 2k3i n HIS 104 Ca 0.06 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 2k3i n HIS 104 Cb 0.53 0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.79 2k3i n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k3i n HIS 105 N -0.93 -1.44 -2.08 4.41 8.25 -1.26 -4.89 115.22 117.28 2k3i n HIS 105 Ca 0.00 0.80 -0.21 0.00 -0.26 0.00 0.00 57.72 58.05 2k3i n HIS 105 Cb 0.00 -1.31 -0.04 0.00 1.12 0.00 0.00 29.99 29.76 2k3i n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3i n HIS 106 N -2.88 -0.60 -1.45 4.41 -0.00 -1.26 -4.86 115.22 108.58 2k3i n HIS 106 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.29 2k3i n HIS 106 Cb 0.25 -3.76 -0.02 0.00 -0.00 0.00 0.00 29.99 26.46 2k3i n HIS 106 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k3i n HIS 107 N -3.38 2.79 -3.78 1.57 8.25 -1.26 -4.79 115.22 114.61 2k3i n HIS 107 Ca -0.23 -3.04 -0.29 0.00 -0.26 0.00 0.00 57.72 53.90 2k3i n HIS 107 Cb 0.68 -2.51 -0.16 0.00 1.12 0.00 0.00 29.99 29.12 2k3i n HIS 107 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k3i s HIS 108 N 2.55 1.43 0.00 4.41 3.76 -1.26 -5.27 115.29 120.91 2k3i s HIS 108 Ca 0.62 -1.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2k3i s HIS 108 Cb 0.17 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.62 2k3i s HIS 108 CO -0.07 -0.68 0.00 0.72 -0.85 0.00 0.00 174.74 173.86