#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 -3.00 -0.64 3.04 0.00 -1.26 -5.03 121.76 114.87 2k3i s ALA 2 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 2k3i s ALA 2 Cb 0.00 -2.82 0.43 0.00 0.00 0.00 0.00 23.12 20.73 2k3i s ALA 2 CO 0.00 -2.31 2.04 -1.33 0.00 0.00 0.00 175.76 174.15 2k3i n MET 3 N 3.87 2.62 -2.61 0.00 2.00 -1.26 -4.86 117.12 116.87 2k3i n MET 3 Ca 0.11 -3.15 -0.42 0.00 0.00 0.00 0.00 57.70 54.24 2k3i n MET 3 Cb 0.59 -2.23 -0.01 0.00 0.00 0.00 0.00 33.22 31.56 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 -3.66 3.81 -0.40 0.03 3.01 -1.26 -4.87 119.74 116.39 2k3i s LYS 4 Ca 0.62 -1.65 0.02 0.00 -1.01 0.00 0.00 55.97 53.95 2k3i s LYS 4 Cb 0.49 -5.41 0.12 0.00 -1.01 0.00 0.00 37.83 32.02 2k3i s LYS 4 CO -0.01 -2.19 0.17 0.34 0.51 0.00 0.00 175.35 174.17 2k3i s ASP 5 N 4.44 4.05 -0.06 2.83 2.15 -1.26 -5.09 116.67 123.73 2k3i s ASP 5 Ca 0.49 -2.36 0.02 0.00 0.43 0.00 0.00 52.55 51.14 2k3i s ASP 5 Cb 0.02 -1.19 0.01 0.00 -0.30 0.00 0.00 42.92 41.45 2k3i s ASP 5 CO -0.01 -0.32 -0.12 0.54 -0.17 0.00 0.00 175.17 175.09 2k3i s VAL 6 N 0.67 1.12 -0.47 1.11 0.11 -1.26 -5.10 120.40 116.57 2k3i s VAL 6 Ca 0.14 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.60 2k3i s VAL 6 Cb -0.22 -1.02 0.11 0.00 -1.53 0.00 0.00 36.38 33.72 2k3i s VAL 6 CO -0.08 0.35 0.36 -0.69 -3.33 0.00 0.00 175.10 171.71 2k3i s VAL 7 N 0.57 4.47 -0.23 2.04 1.01 -1.26 -5.01 120.40 121.99 2k3i s VAL 7 Ca -0.13 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.16 2k3i s VAL 7 Cb -0.15 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.46 2k3i s VAL 7 CO 0.03 -0.72 0.52 1.51 0.00 0.00 0.00 175.10 176.45 2k3i s ASP 8 N 2.72 -0.66 -0.36 3.32 -4.77 -1.26 -5.07 116.67 110.59 2k3i s ASP 8 Ca 0.05 1.22 0.06 0.00 -3.30 0.00 0.00 52.55 50.57 2k3i s ASP 8 Cb -0.26 1.53 0.24 0.00 -1.09 0.00 0.00 42.92 43.34 2k3i s ASP 8 CO 0.01 -0.22 1.22 1.17 0.70 0.00 0.00 175.17 178.05 2k3i n LYS 9 N 5.05 0.73 -3.47 2.11 4.81 -1.26 -5.08 118.16 121.04 2k3i n LYS 9 Ca -0.14 -1.32 -0.26 0.00 -0.87 0.00 0.00 58.31 55.72 2k3i n LYS 9 Cb 0.52 -0.06 -0.12 0.00 0.02 0.00 0.00 35.03 35.38 2k3i n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3i s SER 11 N 1.65 -1.53 -0.01 0.00 0.15 -1.26 -5.03 113.70 107.66 2k3i s SER 11 Ca 0.13 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2k3i s SER 11 Cb -0.19 1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 66.07 2k3i s SER 11 CO -0.18 -0.21 -0.01 0.35 1.20 0.00 0.00 173.24 174.39 2k3i n THR 12 N 4.75 0.05 -2.36 6.45 -2.24 -1.26 -5.02 114.28 114.64 2k3i n THR 12 Ca 0.09 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 2k3i n THR 12 Cb 0.56 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 2k3i n THR 12 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k3i s LYS 13 N -2.02 4.31 0.00 -0.78 2.20 -1.26 -4.88 119.74 117.32 2k3i s LYS 13 Ca -0.01 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 2k3i s LYS 13 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2k3i s LYS 13 CO 0.02 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2k3i n GLY 14 N 3.51 -1.99 3.44 5.54 0.00 -1.26 -5.16 105.19 109.28 2k3i n GLY 14 Ca 0.12 0.94 0.01 0.00 0.00 0.00 0.00 46.02 47.09 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 2.15 -1.83 -0.11 0.00 0.00 -1.26 -5.16 121.76 115.56 2k3i s ALA 16 Ca -0.04 1.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 2k3i s ALA 16 Cb -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2k3i s ALA 16 CO -0.17 -0.33 0.10 -1.50 0.00 0.00 0.00 175.76 173.87 2k3i s ILE 17 N -0.18 5.18 0.01 0.00 2.07 -1.26 -5.11 121.20 121.92 2k3i s ILE 17 Ca -0.02 0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 2k3i s ILE 17 Cb -0.03 -3.25 0.02 0.00 0.13 0.00 0.00 42.46 39.33 2k3i s ILE 17 CO 0.02 0.60 0.28 -0.62 -1.91 0.00 0.00 174.94 173.31 2k3i s ASP 18 N -1.03 -0.13 0.04 4.50 2.15 -1.26 -5.06 116.67 115.87 2k3i s ASP 18 Ca 0.15 -0.06 -0.27 0.00 0.43 0.00 0.00 52.55 52.80 2k3i s ASP 18 Cb -0.12 0.31 -0.17 0.00 -0.30 0.00 0.00 42.92 42.64 2k3i s ASP 18 CO 0.04 -0.50 1.45 0.40 -0.17 0.00 0.00 175.17 176.40 2k3i h ILE 19 N 3.68 0.65 -0.08 4.11 2.04 -1.99 -3.32 117.51 122.60 2k3i h ILE 19 Ca -0.31 -0.31 -0.22 0.00 1.00 0.00 0.00 64.86 65.03 2k3i h ILE 19 Cb 1.19 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 2k3i h ILE 19 CO 0.43 0.06 -0.28 0.61 0.00 0.00 0.00 178.15 178.97 2k3i n GLY 20 N -0.81 3.11 0.61 5.37 0.00 -1.26 -3.81 105.19 108.40 2k3i n GLY 20 Ca -0.10 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2k3i n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3i n THR 21 N 2.40 0.00 -4.06 2.61 5.66 -1.25 -4.85 114.28 114.79 2k3i n THR 21 Ca 0.44 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.75 2k3i n THR 21 Cb 0.88 1.32 -0.17 0.00 -1.55 0.00 0.00 70.33 70.82 2k3i n THR 21 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2k3i s VAL 22 N -1.97 1.52 -0.17 1.08 1.01 -1.25 -5.11 120.40 115.50 2k3i s VAL 22 Ca 0.19 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2k3i s VAL 22 Cb 0.16 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 35.16 2k3i s VAL 22 CO 0.38 0.45 -0.05 -0.51 0.00 0.00 0.00 175.10 175.37 2k3i s ILE 23 N 1.45 1.13 0.06 2.22 2.07 -1.26 -4.86 121.20 122.01 2k3i s ILE 23 Ca 0.04 -0.66 0.11 0.00 -1.41 0.00 0.00 60.65 58.73 2k3i s ILE 23 Cb -0.13 -1.31 -0.07 0.00 0.13 0.00 0.00 42.46 41.08 2k3i s ILE 23 CO -0.10 0.12 1.42 0.44 -1.91 0.00 0.00 174.94 174.91 2k3i h ASP 24 N 8.11 0.00 -5.86 4.50 3.32 -1.98 -3.47 116.42 121.04 2k3i h ASP 24 Ca -0.24 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.49 2k3i h ASP 24 Cb 1.11 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.50 2k3i h ASP 24 CO 0.40 0.74 -0.47 -0.46 -1.72 0.00 0.00 179.24 177.73 2k3i n ASN 25 N -3.38 -2.04 -0.06 6.45 6.94 -1.26 -4.84 115.26 117.07 2k3i n ASN 25 Ca 0.00 -0.35 -0.13 0.00 -0.02 0.00 0.00 54.58 54.09 2k3i n ASN 25 Cb 0.80 -1.78 -0.12 0.00 -2.36 0.00 0.00 39.78 36.31 2k3i n ASN 25 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2k3i h ASP 26 N -0.55 -0.00 -2.19 0.53 3.58 -1.96 -3.49 116.42 112.34 2k3i h ASP 26 Ca -0.33 -0.91 -0.03 0.00 0.42 0.00 0.00 57.03 56.19 2k3i h ASP 26 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2k3i h ASP 26 CO 0.46 0.94 -0.03 0.59 -2.88 0.00 0.00 179.24 178.32 2k3i n ASN 27 N -4.63 -0.02 -0.08 2.28 3.02 -1.26 -5.03 115.26 109.53 2k3i n ASN 27 Ca -0.09 -1.14 0.05 0.00 -0.03 0.00 0.00 54.58 53.37 2k3i n ASN 27 Cb 0.44 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.67 4.00 -0.51 0.00 2.01 -1.26 -1.30 115.64 116.90 2k3i s THR 29 Ca 0.05 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.58 2k3i s THR 29 Cb 0.07 -2.80 0.08 0.00 0.01 0.00 0.00 72.50 69.87 2k3i s THR 29 CO 0.33 0.44 0.53 -0.44 -0.69 0.00 0.00 174.62 174.79 2k3i s SER 30 N 0.88 6.18 -0.38 3.53 0.01 0.16 -4.86 113.70 119.22 2k3i s SER 30 Ca 0.01 -1.30 -0.15 0.00 1.31 0.00 0.00 55.95 55.82 2k3i s SER 30 Cb -0.14 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2k3i s SER 30 CO 0.02 -0.83 0.35 -1.59 0.41 0.00 0.00 173.24 171.59 2k3i s LYS 31 N 2.10 3.26 -0.19 12.44 0.00 -1.25 0.27 119.74 136.36 2k3i s LYS 31 Ca 0.08 -0.71 0.01 0.00 0.00 0.00 0.00 55.97 55.35 2k3i s LYS 31 Cb -0.24 -3.90 0.02 0.00 0.00 0.00 0.00 37.83 33.72 2k3i s LYS 31 CO 0.07 -0.66 -0.17 0.12 0.00 0.00 0.00 175.35 174.71 2k3i s PHE 32 N 1.91 2.86 -0.14 1.78 5.36 0.91 -4.95 117.98 125.72 2k3i s PHE 32 Ca 0.09 -1.68 -0.02 0.00 -0.96 0.00 0.00 56.93 54.36 2k3i s PHE 32 Cb -0.17 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.54 2k3i s PHE 32 CO 0.12 -0.80 -0.08 -1.12 -1.46 0.00 0.00 175.22 171.88 2k3i s SER 33 N 1.28 4.47 0.01 6.13 0.01 -1.26 -1.57 113.70 122.78 2k3i s SER 33 Ca 0.03 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2k3i s SER 33 Cb -0.14 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.44 2k3i s SER 33 CO -0.11 0.19 -0.05 -0.13 0.41 0.00 0.00 173.24 173.55 2k3i s ARG 34 N 0.22 0.37 -0.07 12.44 1.81 0.12 -4.97 118.95 128.87 2k3i s ARG 34 Ca -0.05 -0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 53.45 2k3i s ARG 34 Cb -0.14 -0.23 -0.05 0.00 -0.45 0.00 0.00 34.95 34.07 2k3i s ARG 34 CO 0.04 0.05 0.27 -0.06 -0.68 0.00 0.00 175.30 174.92 2k3i s PHE 35 N -0.69 3.64 0.30 -0.53 0.08 -1.26 0.37 117.98 119.89 2k3i s PHE 35 Ca -0.05 0.74 0.03 0.00 0.12 0.00 0.00 56.93 57.78 2k3i s PHE 35 Cb -0.05 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2k3i s PHE 35 CO -0.00 0.65 0.18 -0.06 -0.10 0.00 0.00 175.22 175.89 2k3i s PHE 36 N -0.92 1.57 -0.04 0.36 0.08 0.52 -4.96 117.98 114.59 2k3i s PHE 36 Ca 0.19 -1.44 -0.20 0.00 0.12 0.00 0.00 56.93 55.60 2k3i s PHE 36 Cb -0.14 -0.78 -0.14 0.00 -0.57 0.00 0.00 43.02 41.39 2k3i s PHE 36 CO 0.08 -0.62 0.83 0.00 -0.10 0.00 0.00 175.22 175.41 2k3i h ALA 37 N 2.25 -0.31 -2.28 5.36 0.00 -1.91 0.27 119.26 122.64 2k3i h ALA 37 Ca -0.32 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.97 2k3i h ALA 37 Cb 1.25 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 2k3i h ALA 37 CO 0.48 -0.37 -0.73 0.95 0.00 0.00 0.00 179.25 179.58 2k3i s THR 38 N -3.47 1.62 0.54 0.00 -4.23 -1.26 -3.69 115.64 105.16 2k3i s THR 38 Ca -0.11 -2.15 0.26 0.00 -1.18 0.00 0.00 61.69 58.50 2k3i s THR 38 Cb 0.01 -1.98 0.32 0.00 1.34 0.00 0.00 72.50 72.18 2k3i s THR 38 CO 0.41 -0.60 2.19 0.08 -0.54 0.00 0.00 174.62 176.16 2k3i h ARG 39 N 2.67 0.00 -0.34 3.99 0.11 -1.94 -0.83 114.38 118.03 2k3i h ARG 39 Ca -0.38 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.68 2k3i h ARG 39 Cb 1.21 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 2k3i h ARG 39 CO 0.61 0.03 0.15 0.93 0.10 0.00 0.00 179.97 181.79 2k3i h GLU 40 N 0.00 0.51 -0.37 0.08 5.08 -2.00 -1.43 114.58 116.45 2k3i h GLU 40 Ca -0.00 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2k3i h GLU 40 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2k3i h GLU 40 CO 0.00 0.49 0.26 0.93 -1.00 0.00 0.00 179.01 179.69 2k3i h GLU 41 N 0.41 0.12 -0.02 2.33 4.39 -1.57 -1.40 114.58 118.85 2k3i h GLU 41 Ca 0.12 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.57 2k3i h GLU 41 Cb 0.16 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2k3i h GLU 41 CO -0.01 0.08 -0.95 0.00 -1.16 0.00 0.00 179.01 176.97 2k3i h ALA 42 N 1.81 0.30 -0.52 3.43 0.00 -1.05 -2.72 119.26 120.51 2k3i h ALA 42 Ca 0.17 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2k3i h ALA 42 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k3i h ALA 42 CO -0.02 0.76 -0.01 0.93 0.00 0.00 0.00 179.25 180.91 2k3i h GLU 43 N 0.31 0.92 -0.06 0.00 5.08 -0.29 -2.36 114.58 118.19 2k3i h GLU 43 Ca -0.09 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2k3i h GLU 43 Cb 1.59 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 2k3i h GLU 43 CO 0.17 0.95 -0.04 0.77 -1.00 0.00 0.00 179.01 179.86 2k3i h SER 44 N 0.79 0.07 -0.43 1.42 0.02 -1.30 -1.33 113.55 112.80 2k3i h SER 44 Ca 0.15 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 2k3i h SER 44 Cb 0.54 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2k3i h SER 44 CO 0.03 0.13 -0.30 0.15 -1.14 0.00 0.00 176.83 175.70 2k3i h PHE 45 N 0.08 1.13 -0.02 3.45 3.57 -1.11 -2.81 116.94 121.23 2k3i h PHE 45 Ca 0.02 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.14 2k3i h PHE 45 Cb 0.14 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2k3i h PHE 45 CO 0.00 1.14 -0.32 1.98 -2.23 0.00 0.00 178.31 178.88 2k3i h MET 46 N 0.80 0.04 -0.43 1.11 4.05 -0.80 -2.36 114.93 117.33 2k3i h MET 46 Ca 0.08 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2k3i h MET 46 Cb 0.89 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 2k3i h MET 46 CO 0.08 0.36 0.28 1.15 0.23 0.00 0.00 176.91 179.00 2k3i h THR 47 N 0.03 1.13 -0.11 -0.77 2.02 -1.02 0.11 112.91 114.30 2k3i h THR 47 Ca 0.00 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.73 2k3i h THR 47 Cb 0.59 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2k3i h THR 47 CO 0.04 0.12 -0.72 0.07 0.37 0.00 0.00 175.52 175.41 2k3i h LYS 48 N 0.58 0.52 -0.61 6.66 2.10 -1.43 -3.17 116.57 121.22 2k3i h LYS 48 Ca 0.16 -0.41 -0.07 0.00 -2.00 0.00 0.00 60.65 58.33 2k3i h LYS 48 Cb -0.04 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 2k3i h LYS 48 CO -0.03 1.04 0.11 -0.07 -2.00 0.00 0.00 179.45 178.50 2k3i h LEU 49 N 0.36 0.92 -0.30 7.07 -0.00 -1.12 -2.33 115.31 119.91 2k3i h LEU 49 Ca -0.03 -0.20 0.07 0.00 -0.00 0.00 0.00 57.88 57.72 2k3i h LEU 49 Cb 1.30 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 41.66 2k3i h LEU 49 CO 0.13 0.91 -0.13 0.50 -0.00 0.00 0.00 178.44 179.85 2k3i h LYS 50 N 0.92 -0.08 -0.36 1.13 1.63 -0.76 0.23 116.57 119.27 2k3i h LYS 50 Ca 0.19 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2k3i h LYS 50 Cb 0.38 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2k3i h LYS 50 CO 0.01 -0.06 -0.19 0.93 -3.45 0.00 0.00 179.45 176.69 2k3i h GLU 51 N -0.09 0.68 -0.43 1.90 4.39 -1.53 -2.48 114.58 117.02 2k3i h GLU 51 Ca 0.15 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2k3i h GLU 51 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k3i h GLU 51 CO -0.35 0.82 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.19 2k3i h LEU 52 N 0.60 0.80 -1.31 1.33 3.38 -0.90 -3.05 115.31 116.16 2k3i h LEU 52 Ca 0.09 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2k3i h LEU 52 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2k3i h LEU 52 CO 0.05 0.95 0.29 0.00 0.09 0.00 0.00 178.44 179.81 2k3i h ALA 53 N 0.88 1.47 -0.31 1.53 0.00 -0.32 0.23 119.26 122.73 2k3i h ALA 53 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k3i h ALA 53 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k3i h ALA 53 CO 0.03 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.76 2k3i h ALA 54 N 1.55 1.49 0.00 0.00 0.00 -1.34 0.25 119.26 121.22 2k3i h ALA 54 Ca 0.19 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 2k3i h ALA 54 Cb 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2k3i h ALA 54 CO -0.03 0.37 -1.37 0.00 0.00 0.00 0.00 179.25 178.22 2k3i h ALA 55 N 1.60 0.59 0.11 0.00 0.00 -1.31 -3.39 119.26 116.87 2k3i h ALA 55 Ca 0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 54.91 53.81 2k3i h ALA 55 Cb 0.23 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k3i h ALA 55 CO 0.00 1.42 -0.05 0.00 0.00 0.00 0.00 179.25 180.61 2k3i h ALA 56 N 1.01 -0.15 -3.14 0.00 0.00 -0.58 -3.45 119.26 112.95 2k3i h ALA 56 Ca -0.16 -0.24 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 2k3i h ALA 56 Cb 1.89 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 2k3i h ALA 56 CO 0.10 -0.21 -0.47 -1.54 0.00 0.00 0.00 179.25 177.13 2k3i s SER 57 N -5.60 6.27 -0.63 0.00 1.04 0.04 -4.93 113.70 109.89 2k3i s SER 57 Ca -0.12 0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 2k3i s SER 57 Cb -0.00 -2.10 0.38 0.00 0.10 0.00 0.00 66.02 64.41 2k3i s SER 57 CO 0.45 0.21 2.06 -1.20 0.98 0.00 0.00 173.24 175.75 2k3i n SER 58 N 3.24 7.45 -0.04 7.02 7.64 -1.26 -4.37 113.62 133.29 2k3i n SER 58 Ca -0.16 -3.66 -0.10 0.00 1.01 0.00 0.00 58.87 55.96 2k3i n SER 58 Cb 0.53 -1.01 -0.09 0.00 -1.01 0.00 0.00 64.21 62.62 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 2.08 -0.03 -1.05 -0.43 0.00 -1.94 -3.49 119.26 114.40 2k3i h ALA 59 Ca 0.55 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k3i h ALA 59 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k3i h ALA 59 CO 1.42 -0.06 0.00 -3.47 0.00 0.00 0.00 179.25 177.14 2k3i n ASP 60 N -4.71 0.00 -0.08 0.00 2.03 -1.26 -4.94 116.55 107.58 2k3i n ASP 60 Ca -0.07 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.26 2k3i n ASP 60 Cb 0.32 0.23 0.03 0.00 -0.72 0.00 0.00 41.12 40.98 2k3i n ASP 60 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3i n GLU 61 N -1.72 1.50 -1.55 -0.67 0.28 -1.26 -5.10 120.64 112.12 2k3i n GLU 61 Ca 0.00 -1.44 0.00 0.00 -0.16 0.00 0.00 57.16 55.56 2k3i n GLU 61 Cb 0.00 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 31.94 2k3i n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k3i n GLY 62 N -0.53 0.37 3.70 -1.84 0.00 -1.26 -4.32 105.19 101.32 2k3i n GLY 62 Ca 0.04 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.00 3.44 -0.48 4.61 0.00 -1.26 -4.20 121.76 122.87 2k3i s ALA 63 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 51.96 49.69 2k3i s ALA 63 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2k3i s ALA 63 CO 0.00 -0.05 1.98 -1.12 0.00 0.00 0.00 175.76 176.57 2k3i s SER 64 N -3.83 5.29 -0.33 0.00 0.01 -0.93 -4.79 113.70 109.11 2k3i s SER 64 Ca 0.38 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.39 2k3i s SER 64 Cb 0.01 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2k3i s SER 64 CO 0.22 -2.26 0.23 0.54 0.41 0.00 0.00 173.24 172.37 2k3i s VAL 65 N 9.06 5.24 -0.51 3.43 0.11 -1.26 0.72 120.40 137.19 2k3i s VAL 65 Ca 0.79 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.60 2k3i s VAL 65 Cb -0.18 -3.67 0.13 0.00 -1.53 0.00 0.00 36.38 31.13 2k3i s VAL 65 CO 0.26 0.02 0.33 0.00 -3.33 0.00 0.00 175.10 172.38 2k3i s ALA 66 N 1.72 3.38 0.02 1.54 0.00 0.60 -4.95 121.76 124.07 2k3i s ALA 66 Ca 0.06 -2.81 0.08 0.00 0.00 0.00 0.00 51.96 49.29 2k3i s ALA 66 Cb -0.17 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2k3i s ALA 66 CO 0.10 -1.94 -0.23 1.52 0.00 0.00 0.00 175.76 175.21 2k3i s TYR 67 N 0.75 2.43 0.08 0.00 1.13 -1.26 -0.34 117.35 120.13 2k3i s TYR 67 Ca 0.11 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.46 2k3i s TYR 67 Cb -0.22 -1.45 -0.03 0.00 -1.10 0.00 0.00 41.96 39.15 2k3i s TYR 67 CO -0.03 0.14 -0.11 -1.59 -2.51 0.00 0.00 175.55 171.44 2k3i s LYS 68 N -1.14 0.79 -0.24 -3.49 -2.85 0.64 -4.97 119.74 108.50 2k3i s LYS 68 Ca 0.12 -1.02 0.01 0.00 -1.00 0.00 0.00 55.97 54.08 2k3i s LYS 68 Cb -0.10 -0.62 0.04 0.00 -2.06 0.00 0.00 37.83 35.08 2k3i s LYS 68 CO 0.02 0.12 -0.11 0.42 0.10 0.00 0.00 175.35 175.90 2k3i s ILE 69 N -1.81 2.41 -0.37 3.79 1.01 -1.26 -0.89 121.20 124.08 2k3i s ILE 69 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2k3i s ILE 69 Cb -0.07 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2k3i s ILE 69 CO 0.01 0.20 0.48 -0.75 0.00 0.00 0.00 174.94 174.89 2k3i s LYS 70 N 1.24 3.48 -0.72 2.79 2.47 0.01 -4.94 119.74 124.07 2k3i s LYS 70 Ca -0.02 -0.34 -0.21 0.00 -1.56 0.00 0.00 55.97 53.85 2k3i s LYS 70 Cb -0.17 -3.85 0.10 0.00 -1.46 0.00 0.00 37.83 32.45 2k3i s LYS 70 CO -0.07 -0.69 0.95 0.34 0.16 0.00 0.00 175.35 176.04 2k3i s ASP 71 N 1.79 6.30 0.47 1.43 -1.08 -1.26 -0.70 116.67 123.62 2k3i s ASP 71 Ca 0.16 -1.38 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 2k3i s ASP 71 Cb -0.16 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2k3i s ASP 71 CO 0.14 -1.26 0.69 -0.76 0.52 0.00 0.00 175.17 174.49 2k3i s LEU 72 N 3.36 3.59 -0.94 -1.34 1.43 0.02 -5.00 118.68 119.80 2k3i s LEU 72 Ca 0.23 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 2k3i s LEU 72 Cb -0.15 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2k3i s LEU 72 CO 0.04 -0.77 1.52 -0.70 0.23 0.00 0.00 176.35 176.67 2k3i s GLU 73 N -4.59 3.32 0.00 1.70 2.12 -1.26 -3.17 118.70 116.83 2k3i s GLU 73 Ca 0.50 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2k3i s GLU 73 Cb -0.10 -5.09 0.00 0.00 0.26 0.00 0.00 34.13 29.20 2k3i s GLU 73 CO 0.38 -2.41 0.00 0.41 -0.54 0.00 0.00 175.26 173.10 2k3i n GLY 74 N 6.60 1.64 3.83 -1.50 0.00 -1.26 -5.08 105.19 109.42 2k3i n GLY 74 Ca 0.29 -0.24 -0.06 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 0.00 1.76 0.20 1.61 -2.07 -1.19 -4.91 119.66 115.06 2k3i s GLN 75 Ca 0.00 -1.06 0.06 0.00 -1.82 0.00 0.00 55.36 52.54 2k3i s GLN 75 Cb 0.00 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.41 2k3i s GLN 75 CO 0.00 -0.82 -0.10 0.14 -1.32 0.00 0.00 175.29 173.19 2k3i s VAL 76 N -2.99 1.45 -0.12 3.63 -7.23 0.94 -0.80 120.40 115.28 2k3i s VAL 76 Ca 0.14 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2k3i s VAL 76 Cb -0.04 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.85 2k3i s VAL 76 CO 0.07 -0.58 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.41 2k3i s GLU 77 N -3.71 2.48 -0.36 4.82 2.12 0.13 -0.35 118.70 123.82 2k3i s GLU 77 Ca 0.22 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.72 2k3i s GLU 77 Cb 0.02 -2.08 -0.00 0.00 0.26 0.00 0.00 34.13 32.32 2k3i s GLU 77 CO 0.05 -0.07 0.50 -1.17 -0.54 0.00 0.00 175.26 174.04 2k3i s LEU 78 N 0.98 4.40 -0.33 2.70 1.98 0.16 -0.81 118.68 127.76 2k3i s LEU 78 Ca -0.06 -0.11 0.03 0.00 -2.89 0.00 0.00 54.13 51.11 2k3i s LEU 78 Cb -0.15 -2.56 0.09 0.00 0.66 0.00 0.00 46.19 44.24 2k3i s LEU 78 CO -0.03 -0.49 0.03 -0.62 -1.89 0.00 0.00 176.35 173.35 2k3i s ASP 79 N 1.78 4.74 -0.16 3.68 2.15 -0.07 -0.71 116.67 128.08 2k3i s ASP 79 Ca 0.18 -1.99 -0.00 0.00 0.43 0.00 0.00 52.55 51.17 2k3i s ASP 79 Cb -0.16 -1.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.83 2k3i s ASP 79 CO 0.13 -0.35 -0.14 0.00 -0.17 0.00 0.00 175.17 174.64 2k3i s ALA 80 N 0.96 2.53 -0.39 3.66 0.00 -0.61 -0.26 121.76 127.66 2k3i s ALA 80 Ca 0.07 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2k3i s ALA 80 Cb -0.19 -1.26 0.07 0.00 0.00 0.00 0.00 23.12 21.74 2k3i s ALA 80 CO -0.07 -0.04 0.19 0.00 0.00 0.00 0.00 175.76 175.84 2k3i s ALA 81 N 0.82 3.16 -0.39 0.00 0.00 0.54 -0.06 121.76 125.83 2k3i s ALA 81 Ca -0.05 -2.11 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 2k3i s ALA 81 Cb -0.15 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.53 2k3i s ALA 81 CO 0.00 -1.58 0.56 -0.06 0.00 0.00 0.00 175.76 174.68 2k3i s PHE 82 N 1.34 3.14 -0.52 0.00 0.08 0.14 -0.29 117.98 121.87 2k3i s PHE 82 Ca 0.02 0.04 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 2k3i s PHE 82 Cb -0.22 -3.08 0.05 0.00 -0.57 0.00 0.00 43.02 39.20 2k3i s PHE 82 CO 0.01 -0.68 0.80 0.99 -0.10 0.00 0.00 175.22 176.24 2k3i s THR 83 N 2.53 4.60 0.27 0.64 2.01 0.22 0.38 115.64 126.29 2k3i s THR 83 Ca 0.20 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 2k3i s THR 83 Cb -0.15 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 2k3i s THR 83 CO 0.15 -0.95 0.56 -0.36 -0.69 0.00 0.00 174.62 173.33 2k3i s PHE 84 N 3.38 3.46 -0.09 4.92 0.08 -0.42 -2.19 117.98 127.12 2k3i s PHE 84 Ca 0.25 0.72 0.27 0.00 0.12 0.00 0.00 56.93 58.28 2k3i s PHE 84 Cb -0.15 -2.16 0.85 0.00 -0.57 0.00 0.00 43.02 40.99 2k3i s PHE 84 CO 0.17 0.19 1.79 0.77 -0.10 0.00 0.00 175.22 178.04 2k3i h SER 85 N 1.92 0.00 -4.64 1.36 0.02 -1.96 -3.45 113.55 106.80 2k3i h SER 85 Ca -0.47 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.15 2k3i h SER 85 Cb 1.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 2k3i h SER 85 CO 0.67 0.08 -0.75 0.00 -1.14 0.00 0.00 176.83 175.69 2k3i h GLN 87 N 4.34 0.04 -0.42 0.00 4.15 -1.86 -2.82 115.11 118.54 2k3i h GLN 87 Ca -0.38 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.03 2k3i h GLN 87 Cb 1.20 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2k3i h GLN 87 CO 0.42 0.60 0.28 0.00 -1.93 0.00 0.00 178.83 178.20 2k3i h ALA 88 N 1.39 1.74 -0.43 3.38 0.00 -1.96 -1.48 119.26 121.90 2k3i h ALA 88 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k3i h ALA 88 Cb 1.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2k3i h ALA 88 CO 0.08 0.22 0.11 0.93 0.00 0.00 0.00 179.25 180.59 2k3i h GLU 89 N 0.53 0.64 0.59 0.00 4.39 -1.86 -2.03 114.58 116.85 2k3i h GLU 89 Ca 0.16 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2k3i h GLU 89 Cb -0.00 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2k3i h GLU 89 CO -0.04 0.59 -0.29 1.98 -1.16 0.00 0.00 179.01 180.09 2k3i h MET 90 N 0.63 -0.77 -0.38 2.33 4.05 -1.34 -2.45 114.93 117.00 2k3i h MET 90 Ca 0.14 0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2k3i h MET 90 Cb 0.24 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2k3i h MET 90 CO -0.00 -0.49 -0.01 -0.84 0.23 0.00 0.00 176.91 175.80 2k3i h ILE 91 N -0.86 1.26 -0.02 1.77 3.07 -1.44 -2.00 117.51 119.29 2k3i h ILE 91 Ca -0.08 -1.02 -0.04 0.00 1.55 0.00 0.00 64.86 65.27 2k3i h ILE 91 Cb 0.64 1.16 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 2k3i h ILE 91 CO 0.13 0.34 -0.19 0.16 -1.05 0.00 0.00 178.15 177.55 2k3i h ILE 92 N 0.50 1.15 0.10 0.16 -0.00 -1.43 -1.46 117.51 116.53 2k3i h ILE 92 Ca 0.11 -0.69 -0.00 0.00 -0.00 0.00 0.00 64.86 64.28 2k3i h ILE 92 Cb 0.48 1.34 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 2k3i h ILE 92 CO 0.02 0.20 -0.05 0.15 -0.00 0.00 0.00 178.15 178.47 2k3i h PHE 93 N 0.03 -0.13 -0.52 0.16 3.57 -1.16 -2.53 116.94 116.37 2k3i h PHE 93 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2k3i h PHE 93 Cb 0.35 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 2k3i h PHE 93 CO 0.00 0.37 0.23 0.93 -2.23 0.00 0.00 178.31 177.61 2k3i h GLU 94 N -0.73 0.43 0.18 1.11 4.39 -1.16 -1.24 114.58 117.55 2k3i h GLU 94 Ca -0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2k3i h GLU 94 Cb 0.56 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2k3i h GLU 94 CO 0.02 0.28 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.00 2k3i h LEU 95 N 0.44 -0.20 -0.86 1.33 3.38 -1.34 -1.60 115.31 116.46 2k3i h LEU 95 Ca 0.24 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.19 2k3i h LEU 95 Cb 0.21 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 2k3i h LEU 95 CO -0.21 0.11 0.39 0.28 0.09 0.00 0.00 178.44 179.10 2k3i h SER 96 N -0.52 0.39 -0.09 -0.43 0.02 -1.34 -1.84 113.55 109.74 2k3i h SER 96 Ca -0.02 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2k3i h SER 96 Cb 0.40 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2k3i h SER 96 CO 0.04 0.10 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.60 2k3i h LEU 97 N 0.49 0.44 -0.26 5.07 3.38 -0.87 -2.87 115.31 120.68 2k3i h LEU 97 Ca 0.50 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.38 2k3i h LEU 97 Cb 0.84 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2k3i h LEU 97 CO -0.45 0.62 0.12 -0.09 0.09 0.00 0.00 178.44 178.73 2k3i h ARG 98 N 0.41 0.25 -0.55 1.13 9.65 -0.41 -0.64 114.38 124.22 2k3i h ARG 98 Ca 0.07 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2k3i h ARG 98 Cb 0.51 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2k3i h ARG 98 CO 0.03 0.17 0.00 0.43 2.80 0.00 0.00 179.97 183.40 2k3i n SER 99 N -4.99 2.70 -0.09 -3.80 7.64 -1.19 -3.90 113.62 109.99 2k3i n SER 99 Ca -0.01 -2.20 -0.12 0.00 1.01 0.00 0.00 58.87 57.55 2k3i n SER 99 Cb 0.07 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.55 2.74 0.18 -3.43 0.00 -0.35 -4.40 117.00 112.29 2k3i n LEU 100 Ca 0.14 -0.09 0.10 0.00 0.00 0.00 0.00 56.01 56.16 2k3i n LEU 100 Cb 0.50 -0.56 0.64 0.00 0.00 0.00 0.00 43.42 44.00 2k3i n LEU 100 CO 0.12 0.77 1.10 0.00 0.00 0.00 0.00 177.39 179.39 2k3i h ALA 101 N 0.06 2.09 0.00 1.96 0.00 -1.40 -3.45 119.26 118.52 2k3i h ALA 101 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k3i h ALA 101 Cb 1.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2k3i h ALA 101 CO -0.06 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2k3i n LEU 102 N -4.50 0.00 0.13 0.00 4.77 -1.26 -4.75 117.00 111.39 2k3i n LEU 102 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2k3i n LEU 102 Cb 0.20 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2k3i n LEU 102 CO 0.35 0.00 0.69 -0.33 -1.33 0.00 0.00 177.39 176.76 2k3i h GLU 103 N 0.29 -0.48 -4.09 3.23 4.39 -1.89 -2.91 114.58 113.12 2k3i h GLU 103 Ca 0.00 0.03 -0.72 0.00 0.34 0.00 0.00 59.36 59.01 2k3i h GLU 103 Cb 0.00 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 2k3i h GLU 103 CO 0.00 -0.32 2.68 1.58 -1.16 0.00 0.00 179.01 181.79 2k3i n HIS 104 N -5.38 3.56 -2.05 4.33 -0.00 -1.26 -4.96 115.22 109.46 2k3i n HIS 104 Ca -0.07 -2.93 -0.42 0.00 0.46 0.00 0.00 57.72 54.76 2k3i n HIS 104 Cb 0.29 -2.39 -0.03 0.00 -0.12 0.00 0.00 29.99 27.74 2k3i n HIS 104 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k3i s HIS 105 N 2.50 2.50 -1.00 1.57 2.46 -1.10 -4.93 115.29 117.29 2k3i s HIS 105 Ca 0.46 0.48 -0.15 0.00 0.47 0.00 0.00 55.06 56.31 2k3i s HIS 105 Cb 0.11 -3.85 0.18 0.00 -0.13 0.00 0.00 32.58 28.89 2k3i s HIS 105 CO -0.04 -3.36 1.13 -1.58 -2.47 0.00 0.00 174.74 168.42 2k3i s HIS 106 N 2.79 3.49 -0.87 3.88 2.46 -1.26 -4.61 115.29 121.16 2k3i s HIS 106 Ca 0.70 -1.86 0.08 0.00 0.47 0.00 0.00 55.06 54.45 2k3i s HIS 106 Cb -0.36 -4.14 0.03 0.00 -0.13 0.00 0.00 32.58 27.98 2k3i s HIS 106 CO 0.30 -1.30 0.66 1.58 -2.47 0.00 0.00 174.74 173.51 2k3i n HIS 107 N 5.33 0.00 -2.46 3.88 -0.00 -1.26 -4.95 115.22 115.75 2k3i n HIS 107 Ca 0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.54 2k3i n HIS 107 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.43 2k3i n HIS 107 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k3i s HIS 108 N -0.92 2.84 -2.41 1.57 5.04 -1.26 -5.36 115.29 114.80 2k3i s HIS 108 Ca 0.08 1.00 0.29 0.00 -1.54 0.00 0.00 55.06 54.89 2k3i s HIS 108 Cb 0.07 -3.68 1.21 0.00 0.04 0.00 0.00 32.58 30.21 2k3i s HIS 108 CO 0.15 -1.52 1.83 -2.39 -2.34 0.00 0.00 174.74 170.47