#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 -1.95 0.00 3.17 0.00 -1.26 -5.17 121.76 116.55 2k3i s ALA 2 Ca 0.00 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.48 2k3i s ALA 2 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2k3i s ALA 2 CO 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 175.76 175.06 2k3i s MET 3 N -2.04 1.64 -0.28 0.00 0.00 -1.26 -5.12 119.30 112.24 2k3i s MET 3 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 55.69 54.93 2k3i s MET 3 Cb -0.01 -1.64 0.17 0.00 0.00 0.00 0.00 34.83 33.36 2k3i s MET 3 CO -0.04 0.44 0.48 -1.59 0.00 0.00 0.00 175.02 174.31 2k3i s LYS 4 N -0.71 0.47 0.06 3.16 -2.85 -1.26 -5.15 119.74 113.46 2k3i s LYS 4 Ca 0.08 0.43 -0.03 0.00 -1.00 0.00 0.00 55.97 55.45 2k3i s LYS 4 Cb -0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.61 2k3i s LYS 4 CO -0.00 -0.93 0.03 0.16 0.10 0.00 0.00 175.35 174.71 2k3i s ASP 5 N 2.67 0.38 0.13 0.03 -4.77 -1.26 -5.18 116.67 108.67 2k3i s ASP 5 Ca 0.12 -0.89 0.03 0.00 -3.30 0.00 0.00 52.55 48.51 2k3i s ASP 5 Cb -0.12 0.24 -0.04 0.00 -1.09 0.00 0.00 42.92 41.90 2k3i s ASP 5 CO -0.26 -0.63 -0.07 0.68 0.70 0.00 0.00 175.17 175.59 2k3i s VAL 6 N -3.85 0.88 -0.05 2.11 -7.23 -1.26 -5.16 120.40 105.85 2k3i s VAL 6 Ca 0.06 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2k3i s VAL 6 Cb 0.07 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2k3i s VAL 6 CO -0.10 -0.76 -0.10 0.54 -0.31 0.00 0.00 175.10 174.37 2k3i s VAL 7 N -3.51 0.91 -0.28 1.32 0.11 -1.26 -5.10 120.40 112.60 2k3i s VAL 7 Ca 0.16 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2k3i s VAL 7 Cb 0.04 -0.84 0.13 0.00 -1.53 0.00 0.00 36.38 34.18 2k3i s VAL 7 CO -0.01 0.30 0.29 -0.62 -3.33 0.00 0.00 175.10 171.72 2k3i s ASP 8 N 0.58 1.57 -0.29 3.54 2.15 -1.26 -5.11 116.67 117.85 2k3i s ASP 8 Ca -0.11 -0.63 -0.03 0.00 0.43 0.00 0.00 52.55 52.21 2k3i s ASP 8 Cb -0.14 0.52 0.17 0.00 -0.30 0.00 0.00 42.92 43.17 2k3i s ASP 8 CO 0.02 -0.38 0.57 -0.75 -0.17 0.00 0.00 175.17 174.46 2k3i s LYS 9 N 2.37 0.53 0.00 4.34 2.20 -1.26 -5.02 119.74 122.90 2k3i s LYS 9 Ca 0.09 1.02 0.19 0.00 -0.36 0.00 0.00 55.97 56.92 2k3i s LYS 9 Cb -0.14 0.46 0.32 0.00 -1.51 0.00 0.00 37.83 36.96 2k3i s LYS 9 CO -0.29 -0.54 1.12 0.00 -0.36 0.00 0.00 175.35 175.28 2k3i s SER 11 N -1.74 6.31 -0.29 0.00 1.04 -1.26 -4.91 113.70 112.86 2k3i s SER 11 Ca 0.25 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2k3i s SER 11 Cb 0.29 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 64.04 2k3i s SER 11 CO -0.13 -1.63 0.45 -0.89 0.98 0.00 0.00 173.24 172.03 2k3i s THR 12 N 5.07 -0.72 -0.10 2.02 2.01 -1.26 -5.14 115.64 117.52 2k3i s THR 12 Ca 0.37 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 2k3i s THR 12 Cb -0.06 -0.98 0.04 0.00 0.01 0.00 0.00 72.50 71.51 2k3i s THR 12 CO 0.04 -0.20 0.45 -1.59 -0.69 0.00 0.00 174.62 172.62 2k3i s LYS 13 N 2.61 0.66 0.00 4.92 -2.85 -1.26 -5.02 119.74 118.80 2k3i s LYS 13 Ca 0.10 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 2k3i s LYS 13 Cb -0.12 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2k3i s LYS 13 CO -0.28 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.44 2k3i n GLY 14 N 2.03 0.00 3.59 0.59 0.00 -1.26 -5.11 105.19 105.03 2k3i n GLY 14 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2k3i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i n ALA 16 N 8.31 1.10 -2.39 0.00 0.00 -1.26 -5.10 120.51 121.16 2k3i n ALA 16 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 2k3i n ALA 16 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 2k3i n ALA 16 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2k3i s ILE 17 N -2.00 4.10 -0.41 0.00 2.07 -1.26 -4.98 121.20 118.72 2k3i s ILE 17 Ca 0.00 1.44 0.01 0.00 -1.41 0.00 0.00 60.65 60.70 2k3i s ILE 17 Cb 0.00 -3.93 0.14 0.00 0.13 0.00 0.00 42.46 38.81 2k3i s ILE 17 CO 0.00 0.00 0.25 -0.62 -1.91 0.00 0.00 174.94 172.66 2k3i s ASP 18 N 1.58 3.13 -0.07 4.50 2.15 -1.26 -5.08 116.67 121.62 2k3i s ASP 18 Ca 0.58 -2.52 -0.01 0.00 0.43 0.00 0.00 52.55 51.03 2k3i s ASP 18 Cb -0.27 -0.70 0.03 0.00 -0.30 0.00 0.00 42.92 41.68 2k3i s ASP 18 CO 0.23 -0.27 -0.00 0.27 -0.17 0.00 0.00 175.17 175.23 2k3i s ILE 19 N 0.58 0.41 -0.45 4.11 -5.25 -1.26 -4.59 121.20 114.74 2k3i s ILE 19 Ca 0.20 0.10 -0.03 0.00 -0.99 0.00 0.00 60.65 59.94 2k3i s ILE 19 Cb -0.20 -0.56 0.17 0.00 2.95 0.00 0.00 42.46 44.82 2k3i s ILE 19 CO -0.02 0.27 2.40 0.61 -1.79 0.00 0.00 174.94 176.40 2k3i n GLY 20 N 5.14 4.47 2.89 6.27 0.00 -1.26 -4.88 105.19 117.82 2k3i n GLY 20 Ca -0.07 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.67 0.52 0.42 2.61 2.01 -1.26 -5.15 115.64 112.12 2k3i s THR 21 Ca 0.49 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.45 2k3i s THR 21 Cb 0.35 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2k3i s THR 21 CO -0.14 0.22 0.18 0.68 -0.69 0.00 0.00 174.62 174.87 2k3i s VAL 22 N 0.89 2.24 -0.07 3.82 -7.23 -1.26 -5.04 120.40 113.75 2k3i s VAL 22 Ca -0.12 -1.71 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 2k3i s VAL 22 Cb -0.14 -2.95 0.03 0.00 0.56 0.00 0.00 36.38 33.88 2k3i s VAL 22 CO 0.00 0.00 0.37 -0.51 -0.31 0.00 0.00 175.10 174.66 2k3i s ILE 23 N -2.62 0.03 0.00 -0.62 2.07 -1.26 -5.12 121.20 113.68 2k3i s ILE 23 Ca 0.40 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2k3i s ILE 23 Cb 0.04 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 42.01 2k3i s ILE 23 CO 0.22 -0.13 0.08 0.47 -1.91 0.00 0.00 174.94 173.67 2k3i n ASP 24 N 1.92 0.00 -3.57 4.50 8.00 -1.26 -5.07 116.55 121.08 2k3i n ASP 24 Ca -0.18 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.31 2k3i n ASP 24 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 2k3i n ASP 24 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3i s ASN 25 N -1.21 -0.35 0.00 -2.24 4.22 -1.26 -5.12 114.94 108.97 2k3i s ASN 25 Ca 0.00 0.31 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 2k3i s ASN 25 Cb 0.00 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.83 2k3i s ASN 25 CO 0.00 -0.38 0.00 -0.67 -2.04 0.00 0.00 177.10 174.01 2k3i n ASP 26 N 0.53 0.00 0.00 3.54 2.03 -1.26 -5.18 116.55 116.21 2k3i n ASP 26 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k3i n ASP 26 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.47 0.00 -0.50 1.67 3.02 -1.26 -5.03 115.26 112.68 2k3i n ASN 27 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 2k3i n ASN 27 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.94 2.64 -0.20 0.00 2.01 -1.26 -1.10 115.64 116.80 2k3i s THR 29 Ca 0.16 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 2k3i s THR 29 Cb 0.10 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2k3i s THR 29 CO 0.14 0.49 0.07 -0.55 -0.69 0.00 0.00 174.62 174.08 2k3i s SER 30 N 1.26 5.52 -0.21 3.53 0.15 0.86 -4.91 113.70 119.91 2k3i s SER 30 Ca 0.03 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 2k3i s SER 30 Cb -0.14 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 2k3i s SER 30 CO -0.07 0.12 0.19 -0.54 1.20 0.00 0.00 173.24 174.14 2k3i s LYS 31 N 0.68 4.16 -0.19 5.44 -0.14 -1.26 -0.18 119.74 128.24 2k3i s LYS 31 Ca 0.03 -0.15 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 2k3i s LYS 31 Cb -0.13 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.57 2k3i s LYS 31 CO 0.02 0.18 -0.19 0.12 -0.76 0.00 0.00 175.35 174.72 2k3i s PHE 32 N 0.69 2.85 -0.15 3.18 5.36 0.77 -4.98 117.98 125.70 2k3i s PHE 32 Ca 0.10 -1.73 -0.00 0.00 -0.96 0.00 0.00 56.93 54.34 2k3i s PHE 32 Cb -0.12 -1.92 0.04 0.00 -0.34 0.00 0.00 43.02 40.67 2k3i s PHE 32 CO 0.02 -0.81 -0.07 -1.12 -1.46 0.00 0.00 175.22 171.78 2k3i s SER 33 N 1.27 2.70 0.01 6.13 0.01 -1.25 -0.43 113.70 122.13 2k3i s SER 33 Ca 0.03 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2k3i s SER 33 Cb -0.14 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 2k3i s SER 33 CO -0.12 -0.16 -0.03 -0.60 0.41 0.00 0.00 173.24 172.74 2k3i s ARG 34 N 1.63 0.28 0.12 12.44 3.52 -0.10 -4.98 118.95 131.85 2k3i s ARG 34 Ca 0.02 -0.25 -0.14 0.00 -0.13 0.00 0.00 55.73 55.23 2k3i s ARG 34 Cb -0.14 -0.19 -0.07 0.00 -1.56 0.00 0.00 34.95 32.99 2k3i s ARG 34 CO -0.08 0.04 0.52 -0.06 -0.81 0.00 0.00 175.30 174.91 2k3i s PHE 35 N -0.42 3.63 0.11 5.12 0.08 -1.26 -0.01 117.98 125.23 2k3i s PHE 35 Ca -0.03 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.09 2k3i s PHE 35 Cb -0.03 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2k3i s PHE 35 CO -0.00 0.47 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.43 2k3i s PHE 36 N -1.40 1.10 0.10 0.36 0.08 0.13 -4.94 117.98 113.41 2k3i s PHE 36 Ca 0.35 -0.72 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 2k3i s PHE 36 Cb -0.15 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2k3i s PHE 36 CO 0.19 0.00 1.56 0.00 -0.10 0.00 0.00 175.22 176.87 2k3i h ALA 37 N 3.25 0.41 -3.20 5.36 0.00 -1.86 0.64 119.26 123.86 2k3i h ALA 37 Ca -0.37 -0.21 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 2k3i h ALA 37 Cb 1.19 -0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.67 2k3i h ALA 37 CO 0.58 0.13 -0.82 0.99 0.00 0.00 0.00 179.25 180.12 2k3i s THR 38 N -5.10 2.34 0.38 0.00 2.01 -1.26 -3.97 115.64 110.03 2k3i s THR 38 Ca -0.13 -2.02 0.06 0.00 0.31 0.00 0.00 61.69 59.90 2k3i s THR 38 Cb 0.08 -2.11 0.28 0.00 0.01 0.00 0.00 72.50 70.76 2k3i s THR 38 CO 0.76 -0.12 2.01 -0.09 -0.69 0.00 0.00 174.62 176.49 2k3i h ARG 39 N 3.22 0.66 -0.75 4.92 2.43 -1.92 -1.75 114.38 121.20 2k3i h ARG 39 Ca -0.46 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2k3i h ARG 39 Cb 1.21 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2k3i h ARG 39 CO 0.48 0.44 0.40 0.93 -1.51 0.00 0.00 179.97 180.71 2k3i h GLU 40 N 0.68 1.05 -0.63 0.20 5.08 -1.98 -1.30 114.58 117.68 2k3i h GLU 40 Ca 0.23 -0.12 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2k3i h GLU 40 Cb 0.09 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2k3i h GLU 40 CO -0.06 0.78 0.43 0.93 -1.00 0.00 0.00 179.01 180.08 2k3i h GLU 41 N 1.05 0.31 0.02 2.33 4.39 -1.72 0.75 114.58 121.71 2k3i h GLU 41 Ca 0.27 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 2k3i h GLU 41 Cb 0.04 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2k3i h GLU 41 CO -0.04 0.20 -0.72 0.00 -1.16 0.00 0.00 179.01 177.29 2k3i h ALA 42 N 1.69 0.07 -0.26 3.43 0.00 -1.23 -2.63 119.26 120.33 2k3i h ALA 42 Ca 0.30 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k3i h ALA 42 Cb 0.74 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k3i h ALA 42 CO -0.07 0.42 0.13 0.93 0.00 0.00 0.00 179.25 180.66 2k3i h GLU 43 N -0.02 0.27 -0.04 0.00 5.08 -0.79 -1.42 114.58 117.65 2k3i h GLU 43 Ca -0.09 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2k3i h GLU 43 Cb 1.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2k3i h GLU 43 CO 0.14 0.18 -0.18 0.77 -1.00 0.00 0.00 179.01 178.92 2k3i h SER 44 N 0.28 0.06 0.22 1.42 0.02 -0.96 -2.70 113.55 111.88 2k3i h SER 44 Ca 0.11 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 2k3i h SER 44 Cb 0.03 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.56 2k3i h SER 44 CO -0.07 0.26 -0.99 0.15 -1.14 0.00 0.00 176.83 175.04 2k3i h PHE 45 N 0.07 0.77 0.00 3.45 3.57 -1.02 -3.13 116.94 120.65 2k3i h PHE 45 Ca 0.01 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 2k3i h PHE 45 Cb 0.37 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k3i h PHE 45 CO 0.00 1.25 -0.14 1.98 -2.23 0.00 0.00 178.31 179.17 2k3i h MET 46 N 0.29 0.00 -0.17 1.11 4.05 -0.95 -3.03 114.93 116.23 2k3i h MET 46 Ca -0.10 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2k3i h MET 46 Cb 1.63 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.42 2k3i h MET 46 CO 0.18 0.14 0.09 1.15 0.23 0.00 0.00 176.91 178.70 2k3i h THR 47 N 0.00 1.02 0.00 -0.77 2.02 -1.46 -0.79 112.91 112.92 2k3i h THR 47 Ca -0.00 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 2k3i h THR 47 Cb 0.34 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2k3i h THR 47 CO 0.02 0.04 -0.54 0.07 0.37 0.00 0.00 175.52 175.48 2k3i h LYS 48 N 0.20 0.00 -0.80 6.66 2.10 -1.68 -2.83 116.57 120.21 2k3i h LYS 48 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2k3i h LYS 48 Cb -0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2k3i h LYS 48 CO -0.03 0.54 0.36 -0.07 -2.00 0.00 0.00 179.45 178.25 2k3i h LEU 49 N 0.00 1.06 -0.26 7.07 -0.00 -1.30 -1.60 115.31 120.27 2k3i h LEU 49 Ca -0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2k3i h LEU 49 Cb 1.05 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2k3i h LEU 49 CO 0.07 0.91 0.15 0.11 -0.00 0.00 0.00 178.44 179.68 2k3i h LYS 50 N 1.14 0.30 -0.44 1.13 1.57 -0.91 0.25 116.57 119.61 2k3i h LYS 50 Ca 0.27 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2k3i h LYS 50 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2k3i h LYS 50 CO -0.03 0.20 0.28 0.93 -0.57 0.00 0.00 179.45 180.26 2k3i h GLU 51 N 0.31 0.54 -0.70 3.15 4.39 -1.44 -0.77 114.58 120.07 2k3i h GLU 51 Ca 0.10 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2k3i h GLU 51 Cb -0.00 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2k3i h GLU 51 CO -0.05 0.36 0.16 -0.07 -1.16 0.00 0.00 179.01 178.25 2k3i h LEU 52 N 0.56 1.08 -0.67 1.33 3.38 -0.98 -2.32 115.31 117.68 2k3i h LEU 52 Ca 0.17 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2k3i h LEU 52 Cb -0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2k3i h LEU 52 CO -0.06 1.04 0.11 0.00 0.09 0.00 0.00 178.44 179.62 2k3i h ALA 53 N 1.08 0.89 -0.05 1.53 0.00 -0.17 -0.24 119.26 122.31 2k3i h ALA 53 Ca 0.22 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k3i h ALA 53 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k3i h ALA 53 CO 0.01 0.66 -0.29 0.00 0.00 0.00 0.00 179.25 179.63 2k3i h ALA 54 N 1.05 1.43 0.00 0.00 0.00 -0.92 -0.51 119.26 120.31 2k3i h ALA 54 Ca 0.20 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2k3i h ALA 54 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k3i h ALA 54 CO 0.01 0.41 -1.22 0.00 0.00 0.00 0.00 179.25 178.46 2k3i h ALA 55 N 1.63 0.57 0.18 0.00 0.00 -1.10 -3.37 119.26 117.18 2k3i h ALA 55 Ca 0.01 -1.02 -0.24 0.00 0.00 0.00 0.00 54.91 53.66 2k3i h ALA 55 Cb 0.56 0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k3i h ALA 55 CO 0.04 1.23 -1.06 0.00 0.00 0.00 0.00 179.25 179.46 2k3i h ALA 56 N 1.13 -0.10 -2.52 0.00 0.00 -0.74 -3.45 119.26 113.57 2k3i h ALA 56 Ca -0.12 -0.77 -0.53 0.00 0.00 0.00 0.00 54.91 53.49 2k3i h ALA 56 Cb 1.77 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2k3i h ALA 56 CO 0.09 0.50 0.59 -1.54 0.00 0.00 0.00 179.25 178.90 2k3i s SER 57 N -7.18 7.03 -0.17 0.00 1.04 -0.23 -4.82 113.70 109.37 2k3i s SER 57 Ca -0.12 2.11 0.16 0.00 0.48 0.00 0.00 55.95 58.57 2k3i s SER 57 Cb 0.02 -2.58 0.61 0.00 0.10 0.00 0.00 66.02 64.17 2k3i s SER 57 CO 0.87 -0.50 1.52 -1.20 0.98 0.00 0.00 173.24 174.91 2k3i n SER 58 N 3.75 4.41 -0.28 7.02 7.64 -1.26 -4.50 113.62 130.39 2k3i n SER 58 Ca 0.09 -2.86 0.04 0.00 1.01 0.00 0.00 58.87 57.15 2k3i n SER 58 Cb 0.45 -0.56 0.16 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.05 2.50 -0.08 -0.43 0.00 -1.26 -4.93 120.51 116.35 2k3i n ALA 59 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k3i n ALA 59 Cb 0.94 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2k3i n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3i n ASP 60 N -0.09 0.00 0.01 0.00 8.00 -1.26 -3.90 116.55 119.30 2k3i n ASP 60 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 2k3i n ASP 60 Cb 0.15 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.47 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k3i h GLU 61 N 0.00 0.50 0.00 -1.24 5.08 -1.96 -3.49 114.58 113.47 2k3i h GLU 61 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2k3i h GLU 61 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k3i h GLU 61 CO 0.00 0.66 0.00 0.41 -1.00 0.00 0.00 179.01 179.08 2k3i n GLY 62 N -0.51 0.35 3.20 -3.84 0.00 -1.25 -5.13 105.19 98.00 2k3i n GLY 62 Ca 0.00 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.31 -0.48 4.61 0.00 -1.26 -4.50 121.76 118.82 2k3i s ALA 63 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 2k3i s ALA 63 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2k3i s ALA 63 CO 0.00 -0.44 1.53 -1.12 0.00 0.00 0.00 175.76 175.73 2k3i s SER 64 N -2.47 6.06 -0.24 0.00 0.01 -0.89 -4.89 113.70 111.29 2k3i s SER 64 Ca -0.00 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 57.87 2k3i s SER 64 Cb 0.02 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2k3i s SER 64 CO -0.07 -1.70 -0.08 0.54 0.41 0.00 0.00 173.24 172.33 2k3i s VAL 65 N 6.35 2.74 -0.63 3.43 0.11 -1.25 0.74 120.40 131.88 2k3i s VAL 65 Ca 0.61 -1.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.48 2k3i s VAL 65 Cb -0.14 -2.37 0.16 0.00 -1.53 0.00 0.00 36.38 32.50 2k3i s VAL 65 CO 0.28 0.24 0.59 0.00 -3.33 0.00 0.00 175.10 172.88 2k3i s ALA 66 N 1.31 3.79 -0.28 1.54 0.00 0.41 -4.92 121.76 123.62 2k3i s ALA 66 Ca 0.00 -2.80 -0.12 0.00 0.00 0.00 0.00 51.96 49.05 2k3i s ALA 66 Cb -0.16 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2k3i s ALA 66 CO -0.06 -2.10 0.22 1.52 0.00 0.00 0.00 175.76 175.34 2k3i s TYR 67 N 1.12 3.23 0.07 0.00 -0.85 -1.26 -0.56 117.35 119.10 2k3i s TYR 67 Ca 0.08 0.17 0.06 0.00 -0.52 0.00 0.00 57.07 56.86 2k3i s TYR 67 Cb -0.23 -2.41 -0.03 0.00 0.38 0.00 0.00 41.96 39.67 2k3i s TYR 67 CO -0.01 -0.17 -0.17 0.15 -1.52 0.00 0.00 175.55 173.83 2k3i s LYS 68 N 1.80 1.00 -0.25 -3.49 1.02 0.13 -5.00 119.74 114.94 2k3i s LYS 68 Ca 0.08 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 2k3i s LYS 68 Cb -0.16 -1.10 0.08 0.00 -0.52 0.00 0.00 37.83 36.13 2k3i s LYS 68 CO 0.11 0.26 0.05 0.42 -0.92 0.00 0.00 175.35 175.27 2k3i s ILE 69 N -1.09 0.85 -0.33 2.17 1.01 -1.26 -0.70 121.20 121.85 2k3i s ILE 69 Ca 0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 2k3i s ILE 69 Cb -0.09 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2k3i s ILE 69 CO 0.03 -0.41 0.79 -0.75 0.00 0.00 0.00 174.94 174.60 2k3i s LYS 70 N 1.67 3.88 -0.60 2.79 2.47 -0.49 -4.91 119.74 124.55 2k3i s LYS 70 Ca 0.03 0.48 -0.28 0.00 -1.56 0.00 0.00 55.97 54.64 2k3i s LYS 70 Cb -0.17 -3.76 0.03 0.00 -1.46 0.00 0.00 37.83 32.46 2k3i s LYS 70 CO -0.16 -0.76 1.20 0.16 0.16 0.00 0.00 175.35 175.96 2k3i s ASP 71 N 1.72 6.41 0.26 1.43 -4.77 -1.26 -1.81 116.67 118.65 2k3i s ASP 71 Ca 0.32 0.03 0.03 0.00 -3.30 0.00 0.00 52.55 49.63 2k3i s ASP 71 Cb -0.14 -2.55 0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2k3i s ASP 71 CO 0.14 -1.52 0.24 0.18 0.70 0.00 0.00 175.17 174.91 2k3i n LEU 72 N 8.55 0.00 -4.50 2.11 4.77 -0.72 -5.03 117.00 122.18 2k3i n LEU 72 Ca 0.08 -1.29 -0.43 0.00 -0.03 0.00 0.00 56.01 54.33 2k3i n LEU 72 Cb 0.49 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2k3i n LEU 72 CO 0.71 -0.46 0.68 -0.70 -1.33 0.00 0.00 177.39 176.30 2k3i s GLU 73 N -3.10 3.26 0.00 3.23 2.12 -1.26 -3.99 118.70 118.96 2k3i s GLU 73 Ca 0.18 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2k3i s GLU 73 Cb -0.01 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.29 2k3i s GLU 73 CO 0.11 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.75 2k3i n GLY 74 N 5.16 2.76 3.81 -1.50 0.00 -1.26 -4.98 105.19 109.18 2k3i n GLY 74 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.84 1.85 0.17 1.61 -2.07 -1.26 -4.75 119.66 114.38 2k3i s GLN 75 Ca 0.00 -1.13 0.02 0.00 -1.82 0.00 0.00 55.36 52.43 2k3i s GLN 75 Cb 0.00 0.59 -0.05 0.00 -1.09 0.00 0.00 33.01 32.47 2k3i s GLN 75 CO 0.00 -0.84 -0.00 0.14 -1.32 0.00 0.00 175.29 173.26 2k3i s VAL 76 N -3.58 0.69 -0.22 3.63 -7.23 0.22 -1.75 120.40 112.15 2k3i s VAL 76 Ca 0.14 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2k3i s VAL 76 Cb -0.05 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2k3i s VAL 76 CO 0.08 -0.50 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.56 2k3i s GLU 77 N -3.91 2.92 -0.38 4.82 2.12 -0.75 -0.70 118.70 122.83 2k3i s GLU 77 Ca 0.23 -0.90 -0.22 0.00 0.36 0.00 0.00 54.97 54.44 2k3i s GLU 77 Cb 0.06 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.63 2k3i s GLU 77 CO 0.04 -0.32 0.72 -1.17 -0.54 0.00 0.00 175.26 173.99 2k3i s LEU 78 N 1.31 4.22 -0.14 2.70 1.98 0.98 -1.40 118.68 128.34 2k3i s LEU 78 Ca 0.02 0.17 -0.00 0.00 -2.89 0.00 0.00 54.13 51.43 2k3i s LEU 78 Cb -0.15 -2.91 0.03 0.00 0.66 0.00 0.00 46.19 43.82 2k3i s LEU 78 CO -0.07 -0.71 -0.11 -0.62 -1.89 0.00 0.00 176.35 172.95 2k3i s ASP 79 N 1.87 2.49 -0.04 3.68 2.15 0.13 -0.92 116.67 126.02 2k3i s ASP 79 Ca 0.28 -0.43 0.03 0.00 0.43 0.00 0.00 52.55 52.86 2k3i s ASP 79 Cb -0.14 -1.02 0.01 0.00 -0.30 0.00 0.00 42.92 41.47 2k3i s ASP 79 CO 0.17 -0.09 -0.11 0.00 -0.17 0.00 0.00 175.17 174.97 2k3i s ALA 80 N 1.59 1.08 -0.36 3.66 0.00 0.43 0.19 121.76 128.34 2k3i s ALA 80 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2k3i s ALA 80 Cb -0.13 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.60 2k3i s ALA 80 CO -0.09 0.14 0.15 0.00 0.00 0.00 0.00 175.76 175.95 2k3i s ALA 81 N 0.40 3.11 -0.38 0.00 0.00 0.27 -0.16 121.76 125.01 2k3i s ALA 81 Ca -0.08 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 49.84 2k3i s ALA 81 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2k3i s ALA 81 CO 0.02 -1.44 0.36 -0.06 0.00 0.00 0.00 175.76 174.64 2k3i s PHE 82 N 1.39 3.21 -0.44 0.00 0.08 0.74 -0.44 117.98 122.52 2k3i s PHE 82 Ca 0.00 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2k3i s PHE 82 Cb -0.20 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.61 2k3i s PHE 82 CO 0.02 -0.53 0.32 0.99 -0.10 0.00 0.00 175.22 175.92 2k3i s THR 83 N 1.96 4.81 0.00 0.64 2.01 0.23 -0.10 115.64 125.18 2k3i s THR 83 Ca 0.10 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2k3i s THR 83 Cb -0.17 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2k3i s THR 83 CO 0.12 -0.50 0.00 0.49 -0.69 0.00 0.00 174.62 174.03 2k3i n PHE 84 N 5.08 -2.77 -0.13 4.92 3.72 -0.26 -2.09 117.46 125.94 2k3i n PHE 84 Ca -0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 2k3i n PHE 84 Cb 0.44 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.86 2k3i n PHE 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k3i n SER 85 N -2.57 1.98 -4.47 4.37 7.64 -1.26 -4.85 113.62 114.45 2k3i n SER 85 Ca 0.00 0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 2k3i n SER 85 Cb 0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 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 3.97 0.16 -0.60 0.00 4.15 -1.89 -2.09 115.11 118.81 2k3i h GLN 87 Ca -0.49 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.02 2k3i h GLN 87 Cb 1.16 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.74 2k3i h GLN 87 CO 0.46 0.16 0.17 0.00 -1.93 0.00 0.00 178.83 177.69 2k3i h ALA 88 N 1.87 0.74 -0.41 3.38 0.00 -1.95 -0.15 119.26 122.74 2k3i h ALA 88 Ca 0.04 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2k3i h ALA 88 Cb 0.08 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k3i h ALA 88 CO -0.00 -0.26 -0.02 0.93 0.00 0.00 0.00 179.25 179.90 2k3i h GLU 89 N 0.32 0.67 0.64 0.00 5.08 -1.70 -1.34 114.58 118.26 2k3i h GLU 89 Ca 0.31 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2k3i h GLU 89 Cb 0.43 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k3i h GLU 89 CO -0.36 0.71 -0.31 1.98 -1.00 0.00 0.00 179.01 180.04 2k3i h MET 90 N 0.63 -0.82 -0.64 2.33 4.05 -1.15 -2.61 114.93 116.71 2k3i h MET 90 Ca 0.13 0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 2k3i h MET 90 Cb 0.43 0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 2k3i h MET 90 CO 0.02 -0.51 0.08 -0.84 0.23 0.00 0.00 176.91 175.89 2k3i h ILE 91 N -1.06 1.26 -0.07 1.77 3.07 -0.98 -2.10 117.51 119.41 2k3i h ILE 91 Ca -0.09 -1.06 -0.06 0.00 1.55 0.00 0.00 64.86 65.20 2k3i h ILE 91 Cb 0.70 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 37.92 2k3i h ILE 91 CO 0.14 0.39 -0.23 0.16 -1.05 0.00 0.00 178.15 177.57 2k3i h ILE 92 N 1.00 1.20 0.10 0.16 3.07 -1.33 -0.85 117.51 120.86 2k3i h ILE 92 Ca 0.19 -0.93 -0.00 0.00 1.55 0.00 0.00 64.86 65.66 2k3i h ILE 92 Cb 0.47 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2k3i h ILE 92 CO 0.02 0.28 -0.05 0.15 -1.05 0.00 0.00 178.15 177.50 2k3i h PHE 93 N 0.10 -0.12 0.00 0.16 3.57 -0.99 -0.80 116.94 118.87 2k3i h PHE 93 Ca 0.02 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2k3i h PHE 93 Cb 0.47 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2k3i h PHE 93 CO 0.00 0.25 -0.53 1.05 -2.23 0.00 0.00 178.31 176.86 2k3i h GLU 94 N -0.53 0.00 -0.34 1.11 4.11 -1.31 -0.86 114.58 116.76 2k3i h GLU 94 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 2k3i h GLU 94 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k3i h GLU 94 CO 0.02 0.53 -0.23 -0.07 0.07 0.00 0.00 179.01 179.33 2k3i h LEU 95 N 0.00 0.79 -1.27 3.06 3.38 -1.17 -2.93 115.31 117.18 2k3i h LEU 95 Ca -0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2k3i h LEU 95 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2k3i h LEU 95 CO 0.07 1.06 0.38 -1.28 0.09 0.00 0.00 178.44 178.76 2k3i h SER 96 N 0.53 0.78 -0.39 -0.43 0.87 -0.80 -1.14 113.55 112.98 2k3i h SER 96 Ca 0.07 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2k3i h SER 96 Cb 0.79 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 2k3i h SER 96 CO 0.06 0.61 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.90 2k3i h LEU 97 N 0.90 -0.17 -0.69 2.23 3.38 -1.01 0.20 115.31 120.15 2k3i h LEU 97 Ca 0.23 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 2k3i h LEU 97 Cb -0.02 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k3i h LEU 97 CO -0.04 -0.05 0.01 0.03 0.09 0.00 0.00 178.44 178.48 2k3i h ARG 98 N 0.10 1.02 -0.53 1.13 3.08 -1.23 -1.36 114.38 116.58 2k3i h ARG 98 Ca 0.19 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2k3i h ARG 98 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2k3i h ARG 98 CO -0.32 1.00 0.12 1.03 -1.07 0.00 0.00 179.97 180.73 2k3i h SER 99 N 0.94 0.81 0.09 7.04 0.87 -0.44 -2.56 113.55 120.31 2k3i h SER 99 Ca 0.17 -0.24 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 2k3i h SER 99 Cb 0.53 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2k3i h SER 99 CO 0.03 0.84 -0.55 0.25 -0.53 0.00 0.00 176.83 176.87 2k3i h LEU 100 N 0.75 0.54 -2.04 2.23 5.85 -0.52 0.78 115.31 122.90 2k3i h LEU 100 Ca 0.17 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2k3i h LEU 100 Cb 0.35 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k3i h LEU 100 CO 0.00 0.98 -0.09 0.00 -0.34 0.00 0.00 178.44 178.99 2k3i h ALA 101 N 1.03 1.46 -0.00 1.25 0.00 -1.02 -2.46 119.26 119.53 2k3i h ALA 101 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3i h ALA 101 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k3i h ALA 101 CO 0.10 0.11 -0.56 1.47 0.00 0.00 0.00 179.25 180.37 2k3i n LEU 102 N -3.86 0.80 0.00 0.00 -0.00 -0.98 -5.00 117.00 107.95 2k3i n LEU 102 Ca -0.02 -0.55 0.00 0.00 -0.00 0.00 0.00 56.01 55.43 2k3i n LEU 102 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2k3i n LEU 102 CO 0.31 0.18 0.00 -0.62 -0.00 0.00 0.00 177.39 177.26 2k3i n GLU 103 N -1.08 0.00 -3.64 1.47 1.02 0.24 -4.56 120.64 114.10 2k3i n GLU 103 Ca 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2k3i n GLU 103 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.58 2k3i n GLU 103 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k3i s HIS 104 N 0.00 -0.65 0.02 -0.32 5.04 -1.26 -4.77 115.29 113.35 2k3i s HIS 104 Ca 0.00 1.51 0.00 0.00 -1.54 0.00 0.00 55.06 55.03 2k3i s HIS 104 Cb 0.00 0.36 0.00 0.00 0.04 0.00 0.00 32.58 32.98 2k3i s HIS 104 CO 0.00 -0.32 0.00 0.72 -2.34 0.00 0.00 174.74 172.80 2k3i n HIS 105 N 2.76 -0.63 -1.68 3.88 8.25 -1.26 -4.87 115.22 121.67 2k3i n HIS 105 Ca -0.14 0.38 -0.43 0.00 -0.26 0.00 0.00 57.72 57.27 2k3i n HIS 105 Cb 0.56 -2.22 -0.03 0.00 1.12 0.00 0.00 29.99 29.42 2k3i n HIS 105 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k3i s HIS 106 N -0.07 1.29 -0.46 4.41 2.46 -1.26 -4.91 115.29 116.75 2k3i s HIS 106 Ca 0.00 0.60 -0.16 0.00 0.47 0.00 0.00 55.06 55.97 2k3i s HIS 106 Cb 0.00 -3.95 0.05 0.00 -0.13 0.00 0.00 32.58 28.55 2k3i s HIS 106 CO 0.00 -3.80 0.42 -1.58 -2.47 0.00 0.00 174.74 167.31 2k3i s HIS 107 N 8.20 3.20 -0.02 3.88 5.04 -1.26 -4.96 115.29 129.37 2k3i s HIS 107 Ca 0.96 -0.71 -0.25 0.00 -1.54 0.00 0.00 55.06 53.53 2k3i s HIS 107 Cb -0.30 -3.06 -0.19 0.00 0.04 0.00 0.00 32.58 29.07 2k3i s HIS 107 CO 0.34 -0.77 1.22 0.45 -2.34 0.00 0.00 174.74 173.64 2k3i h HIS 108 N 8.76 -0.08 0.00 3.88 3.86 -2.02 -3.48 115.15 126.07 2k3i h HIS 108 Ca -0.28 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2k3i h HIS 108 Cb 1.11 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2k3i h HIS 108 CO 0.63 0.37 0.00 1.58 0.86 0.00 0.00 177.93 181.37