#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 3.96 -0.09 3.17 0.00 -1.26 -5.12 121.76 122.42 2k3i s ALA 2 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 2k3i s ALA 2 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.24 2k3i s ALA 2 CO 0.00 -0.12 0.25 0.00 0.00 0.00 0.00 175.76 175.89 2k3i s MET 3 N -4.30 0.29 -0.20 0.00 0.00 -1.26 -5.15 119.30 108.68 2k3i s MET 3 Ca 0.44 0.35 -0.01 0.00 0.00 0.00 0.00 55.69 56.48 2k3i s MET 3 Cb -0.10 0.14 0.05 0.00 0.00 0.00 0.00 34.83 34.93 2k3i s MET 3 CO 0.34 -0.04 -0.03 0.15 0.00 0.00 0.00 175.02 175.44 2k3i s LYS 4 N 0.16 1.31 -0.95 3.16 1.02 -1.26 -5.03 119.74 118.15 2k3i s LYS 4 Ca -0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2k3i s LYS 4 Cb -0.02 -2.28 0.29 0.00 -0.52 0.00 0.00 37.83 35.30 2k3i s LYS 4 CO 0.00 -0.56 1.25 -3.47 -0.92 0.00 0.00 175.35 171.65 2k3i n ASP 5 N 4.84 5.59 -3.85 2.83 2.03 -1.26 -4.94 116.55 121.79 2k3i n ASP 5 Ca -0.11 -3.42 -0.30 0.00 0.52 0.00 0.00 54.79 51.48 2k3i n ASP 5 Cb 0.46 -1.09 -0.14 0.00 -0.72 0.00 0.00 41.12 39.63 2k3i n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2k3i s VAL 6 N -2.67 1.64 -0.24 5.18 1.01 -1.26 -5.06 120.40 119.00 2k3i s VAL 6 Ca 0.34 -2.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 2k3i s VAL 6 Cb 0.07 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.36 2k3i s VAL 6 CO 0.07 -0.71 0.20 -0.69 0.00 0.00 0.00 175.10 173.96 2k3i s VAL 7 N 0.89 -0.25 -0.01 2.92 1.01 -1.26 -5.12 120.40 118.58 2k3i s VAL 7 Ca 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2k3i s VAL 7 Cb -0.20 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2k3i s VAL 7 CO -0.11 -0.40 -0.02 1.51 0.00 0.00 0.00 175.10 176.07 2k3i s ASP 8 N 2.25 0.39 -0.17 3.32 1.47 -1.26 -5.13 116.67 117.54 2k3i s ASP 8 Ca 0.07 -0.05 -0.04 0.00 1.18 0.00 0.00 52.55 53.71 2k3i s ASP 8 Cb -0.15 -0.09 0.07 0.00 -0.34 0.00 0.00 42.92 42.40 2k3i s ASP 8 CO -0.22 0.00 0.15 -0.75 0.68 0.00 0.00 175.17 175.03 2k3i s LYS 9 N 0.21 0.10 -0.35 2.11 2.20 -1.26 -5.02 119.74 117.73 2k3i s LYS 9 Ca -0.02 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 2k3i s LYS 9 Cb -0.05 -1.32 0.45 0.00 -1.51 0.00 0.00 37.83 35.40 2k3i s LYS 9 CO -0.00 -0.60 1.19 0.00 -0.36 0.00 0.00 175.35 175.57 2k3i s SER 11 N -3.52 4.47 -0.30 0.00 0.01 -1.26 -4.74 113.70 108.35 2k3i s SER 11 Ca 0.50 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.12 2k3i s SER 11 Cb 0.41 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 64.26 2k3i s SER 11 CO -0.04 -3.44 0.88 0.42 0.41 0.00 0.00 173.24 171.47 2k3i s THR 12 N 12.74 -0.57 0.46 1.44 -4.23 -1.26 -5.18 115.64 119.03 2k3i s THR 12 Ca 0.79 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 2k3i s THR 12 Cb -0.08 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 2k3i s THR 12 CO 0.06 0.00 0.06 -0.54 -0.54 0.00 0.00 174.62 173.66 2k3i s LYS 13 N 2.92 2.05 -0.34 3.99 1.02 -1.26 -5.09 119.74 123.04 2k3i s LYS 13 Ca 0.07 -2.28 -0.29 0.00 0.02 0.00 0.00 55.97 53.50 2k3i s LYS 13 Cb -0.12 -1.11 -0.00 0.00 -0.52 0.00 0.00 37.83 36.08 2k3i s LYS 13 CO -0.15 -0.39 1.43 0.20 -0.92 0.00 0.00 175.35 175.52 2k3i s GLY 14 N -3.74 1.20 0.48 -3.33 0.00 -1.26 -5.01 107.32 95.66 2k3i s GLY 14 Ca 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 2k3i s GLY 14 CO 0.09 2.77 0.74 0.00 0.00 0.00 0.00 173.10 176.70 2k3i n ALA 16 N -2.21 0.00 -1.29 0.00 0.00 -1.26 -5.13 120.51 110.61 2k3i n ALA 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k3i n ALA 16 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2k3i n ALA 16 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2k3i n ILE 17 N 0.00 -4.36 -0.11 0.00 -5.35 -1.26 -5.00 119.36 103.29 2k3i n ILE 17 Ca 0.00 1.90 -0.17 0.00 -0.27 0.00 0.00 62.75 64.21 2k3i n ILE 17 Cb 0.00 -2.64 -0.06 0.00 -1.74 0.00 0.00 39.64 35.20 2k3i n ILE 17 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2k3i n ASP 18 N -1.02 1.92 -0.11 7.28 2.03 -1.26 -4.80 116.55 120.60 2k3i n ASP 18 Ca 0.00 0.38 -0.23 0.00 0.52 0.00 0.00 54.79 55.46 2k3i n ASP 18 Cb 0.03 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 39.54 2k3i n ASP 18 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k3i n ILE 19 N -4.40 1.19 0.00 5.18 2.08 -1.26 -5.03 119.36 117.12 2k3i n ILE 19 Ca -0.30 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.70 2k3i n ILE 19 Cb 0.64 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 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 1.72 2.28 3.70 7.39 0.00 -1.26 -4.89 105.19 114.13 2k3i n GLY 20 Ca -0.42 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2k3i n GLY 20 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k3i s THR 21 N 0.00 4.64 -0.29 2.61 -1.32 -1.26 -5.00 115.64 115.02 2k3i s THR 21 Ca 0.00 1.90 -0.22 0.00 -1.21 0.00 0.00 61.69 62.16 2k3i s THR 21 Cb 0.00 -4.22 0.17 0.00 -1.51 0.00 0.00 72.50 66.94 2k3i s THR 21 CO 0.00 0.11 1.22 0.54 -2.21 0.00 0.00 174.62 174.28 2k3i s VAL 22 N 1.32 0.00 -0.40 5.08 0.11 -1.26 -5.12 120.40 120.12 2k3i s VAL 22 Ca 0.53 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.60 2k3i s VAL 22 Cb -0.22 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.75 2k3i s VAL 22 CO 0.26 0.00 0.19 -0.63 -3.33 0.00 0.00 175.10 171.59 2k3i s ILE 23 N 0.44 1.44 -0.09 7.04 1.01 -1.26 -5.08 121.20 124.71 2k3i s ILE 23 Ca 0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 60.65 58.32 2k3i s ILE 23 Cb -0.04 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.44 2k3i s ILE 23 CO -0.12 -0.81 0.18 -0.62 0.00 0.00 0.00 174.94 173.57 2k3i s ASP 24 N 0.67 0.26 -0.29 3.58 -1.08 -1.26 -5.14 116.67 113.41 2k3i s ASP 24 Ca 0.15 0.38 -0.15 0.00 -0.52 0.00 0.00 52.55 52.41 2k3i s ASP 24 Cb -0.22 0.31 0.13 0.00 -1.46 0.00 0.00 42.92 41.68 2k3i s ASP 24 CO -0.06 -0.20 0.86 0.54 0.52 0.00 0.00 175.17 176.83 2k3i s ASN 25 N 1.77 -0.72 0.34 -0.34 4.22 -1.26 -4.92 114.94 114.03 2k3i s ASN 25 Ca -0.03 1.09 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 2k3i s ASN 25 Cb -0.12 1.50 0.00 0.00 1.28 0.00 0.00 41.25 43.91 2k3i s ASN 25 CO -0.07 -0.17 0.00 -0.67 -2.04 0.00 0.00 177.10 174.16 2k3i n ASP 26 N 4.36 -2.63 -3.51 3.54 -0.08 -1.26 -5.16 116.55 111.82 2k3i n ASP 26 Ca -0.16 0.64 -0.12 0.00 -1.51 0.00 0.00 54.79 53.64 2k3i n ASP 26 Cb 0.56 2.56 -0.04 0.00 2.34 0.00 0.00 41.12 46.54 2k3i n ASP 26 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k3i s ASN 27 N -2.67 0.42 -0.29 1.67 2.20 -1.26 -5.06 114.94 109.95 2k3i s ASN 27 Ca 0.00 -1.24 0.11 0.00 -0.94 0.00 0.00 52.86 50.79 2k3i s ASN 27 Cb 0.00 0.65 0.67 0.00 -2.00 0.00 0.00 41.25 40.57 2k3i s ASN 27 CO 0.00 -1.27 1.68 0.00 -2.94 0.00 0.00 177.10 174.57 2k3i s THR 29 N -3.00 2.72 -0.32 0.00 2.01 -1.26 -1.45 115.64 114.34 2k3i s THR 29 Ca 0.51 -1.43 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 2k3i s THR 29 Cb 0.42 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2k3i s THR 29 CO 0.11 -0.05 0.29 -0.55 -0.69 0.00 0.00 174.62 173.72 2k3i s SER 30 N 1.21 6.12 -0.35 3.53 0.15 0.11 -4.91 113.70 119.56 2k3i s SER 30 Ca -0.06 -0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 2k3i s SER 30 Cb -0.20 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2k3i s SER 30 CO -0.03 -0.23 0.20 -0.54 1.20 0.00 0.00 173.24 173.84 2k3i s LYS 31 N 1.88 3.10 -0.16 5.44 -0.14 -1.26 -0.17 119.74 128.45 2k3i s LYS 31 Ca 0.09 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2k3i s LYS 31 Cb -0.17 -3.69 0.03 0.00 -1.68 0.00 0.00 37.83 32.32 2k3i s LYS 31 CO 0.11 -0.57 -0.13 0.12 -0.76 0.00 0.00 175.35 174.12 2k3i s PHE 32 N 1.60 2.18 -0.21 3.18 5.36 0.64 -4.96 117.98 125.77 2k3i s PHE 32 Ca 0.04 -1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 54.74 2k3i s PHE 32 Cb -0.18 -1.59 0.06 0.00 -0.34 0.00 0.00 43.02 40.97 2k3i s PHE 32 CO 0.07 -0.68 -0.03 -1.54 -1.46 0.00 0.00 175.22 171.58 2k3i s SER 33 N 1.48 3.41 0.15 6.13 1.04 -1.25 0.19 113.70 124.86 2k3i s SER 33 Ca 0.04 -0.99 0.11 0.00 0.48 0.00 0.00 55.95 55.59 2k3i s SER 33 Cb -0.13 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 2k3i s SER 33 CO -0.10 -0.24 -0.25 -0.60 0.98 0.00 0.00 173.24 173.03 2k3i s ARG 34 N 1.56 1.50 0.10 4.02 3.52 -0.69 -4.89 118.95 124.07 2k3i s ARG 34 Ca -0.03 -1.38 -0.25 0.00 -0.13 0.00 0.00 55.73 53.94 2k3i s ARG 34 Cb -0.18 -1.92 -0.07 0.00 -1.56 0.00 0.00 34.95 31.23 2k3i s ARG 34 CO -0.07 0.44 0.77 -0.06 -0.81 0.00 0.00 175.30 175.57 2k3i s PHE 35 N -1.26 3.82 0.24 5.12 0.08 -1.26 -0.82 117.98 123.89 2k3i s PHE 35 Ca 0.17 1.55 0.06 0.00 0.12 0.00 0.00 56.93 58.83 2k3i s PHE 35 Cb -0.09 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2k3i s PHE 35 CO 0.08 0.39 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.45 2k3i s PHE 36 N -0.56 1.73 0.06 0.36 0.08 0.52 -4.94 117.98 115.23 2k3i s PHE 36 Ca 0.37 -0.72 -0.33 0.00 0.12 0.00 0.00 56.93 56.37 2k3i s PHE 36 Cb -0.22 -0.94 -0.19 0.00 -0.57 0.00 0.00 43.02 41.11 2k3i s PHE 36 CO 0.24 0.21 1.57 0.00 -0.10 0.00 0.00 175.22 177.14 2k3i h ALA 37 N 2.44 -0.92 -2.20 5.36 0.00 -1.89 0.03 119.26 122.08 2k3i h ALA 37 Ca -0.39 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 53.79 2k3i h ALA 37 Cb 1.22 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 2k3i h ALA 37 CO 0.65 -1.00 -0.74 0.95 0.00 0.00 0.00 179.25 179.11 2k3i s THR 38 N -5.89 2.05 0.47 0.00 -4.23 -1.26 -4.17 115.64 102.61 2k3i s THR 38 Ca -0.17 -2.29 0.12 0.00 -1.18 0.00 0.00 61.69 58.17 2k3i s THR 38 Cb 0.03 -2.18 0.27 0.00 1.34 0.00 0.00 72.50 71.96 2k3i s THR 38 CO 0.60 -0.49 2.11 -0.09 -0.54 0.00 0.00 174.62 176.21 2k3i h ARG 39 N 2.41 0.22 0.01 3.99 2.43 -1.95 -1.97 114.38 119.54 2k3i h ARG 39 Ca -0.39 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 2k3i h ARG 39 Cb 1.24 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2k3i h ARG 39 CO 0.62 0.15 -0.04 0.93 -1.51 0.00 0.00 179.97 180.11 2k3i h GLU 40 N 0.23 -0.08 -0.78 0.20 5.08 -1.99 -0.62 114.58 116.62 2k3i h GLU 40 Ca 0.07 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 2k3i h GLU 40 Cb -0.01 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2k3i h GLU 40 CO -0.01 -0.05 0.52 0.93 -1.00 0.00 0.00 179.01 179.39 2k3i h GLU 41 N -0.08 0.45 0.16 2.33 4.39 -1.78 0.26 114.58 120.31 2k3i h GLU 41 Ca 0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k3i h GLU 41 Cb 0.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k3i h GLU 41 CO -0.03 0.30 -0.07 0.00 -1.16 0.00 0.00 179.01 178.04 2k3i h ALA 42 N 1.64 -0.21 -0.10 3.43 0.00 -0.73 -2.42 119.26 120.86 2k3i h ALA 42 Ca 0.38 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2k3i h ALA 42 Cb 0.82 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k3i h ALA 42 CO -0.13 -0.38 -0.30 0.93 0.00 0.00 0.00 179.25 179.37 2k3i h GLU 43 N -0.68 0.19 0.00 0.00 5.08 -0.85 -2.36 114.58 115.97 2k3i h GLU 43 Ca -0.02 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2k3i h GLU 43 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k3i h GLU 43 CO 0.04 0.48 -0.34 0.77 -1.00 0.00 0.00 179.01 178.95 2k3i h SER 44 N 0.17 0.00 0.21 1.42 0.02 -0.94 -2.51 113.55 111.92 2k3i h SER 44 Ca 0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2k3i h SER 44 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2k3i h SER 44 CO 0.05 0.34 -0.66 0.15 -1.14 0.00 0.00 176.83 175.57 2k3i h PHE 45 N 0.00 0.56 -0.78 3.45 3.57 -0.90 -3.18 116.94 119.65 2k3i h PHE 45 Ca -0.00 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 2k3i h PHE 45 Cb 0.66 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2k3i h PHE 45 CO 0.00 0.96 0.30 1.98 -2.23 0.00 0.00 178.31 179.32 2k3i h MET 46 N 0.30 1.18 -0.32 1.11 4.05 -1.28 -3.17 114.93 116.80 2k3i h MET 46 Ca -0.02 -0.22 0.07 0.00 -0.28 0.00 0.00 59.70 59.25 2k3i h MET 46 Cb 1.22 -0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 31.76 2k3i h MET 46 CO 0.11 0.97 -0.13 1.15 0.23 0.00 0.00 176.91 179.24 2k3i h THR 47 N 1.14 0.58 0.00 -0.77 2.02 -1.49 0.58 112.91 114.97 2k3i h THR 47 Ca 0.26 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.34 2k3i h THR 47 Cb 0.24 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2k3i h THR 47 CO -0.02 0.00 -0.49 0.07 0.37 0.00 0.00 175.52 175.45 2k3i h LYS 48 N -0.07 0.00 -0.19 6.66 2.10 -1.70 -2.95 116.57 120.41 2k3i h LYS 48 Ca 0.16 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.66 2k3i h LYS 48 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 2k3i h LYS 48 CO -0.37 0.49 -0.52 -0.07 -2.00 0.00 0.00 179.45 176.97 2k3i h LEU 49 N 0.00 0.61 -0.31 7.07 -0.00 -1.14 -2.76 115.31 118.79 2k3i h LEU 49 Ca -0.00 -0.32 0.05 0.00 -0.00 0.00 0.00 57.88 57.61 2k3i h LEU 49 Cb 0.95 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 2k3i h LEU 49 CO 0.06 1.02 0.04 0.11 -0.00 0.00 0.00 178.44 179.67 2k3i h LYS 50 N 0.43 0.13 -0.87 1.13 1.57 -0.77 0.25 116.57 118.44 2k3i h LYS 50 Ca 0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2k3i h LYS 50 Cb 1.06 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 2k3i h LYS 50 CO 0.10 0.09 0.55 0.93 -0.57 0.00 0.00 179.45 180.55 2k3i h GLU 51 N 0.14 1.01 -0.31 3.15 5.08 -1.52 -0.31 114.58 121.81 2k3i h GLU 51 Ca 0.15 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2k3i h GLU 51 Cb 0.17 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2k3i h GLU 51 CO -0.21 0.67 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.21 2k3i h LEU 52 N 1.04 0.70 -0.68 1.33 3.38 -1.06 -2.69 115.31 117.33 2k3i h LEU 52 Ca 0.37 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2k3i h LEU 52 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2k3i h LEU 52 CO -0.15 0.97 0.23 0.00 0.09 0.00 0.00 178.44 179.58 2k3i h ALA 53 N 0.75 0.88 -0.49 1.53 0.00 -0.11 0.18 119.26 122.01 2k3i h ALA 53 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k3i h ALA 53 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k3i h ALA 53 CO 0.05 0.54 0.20 0.00 0.00 0.00 0.00 179.25 180.05 2k3i h ALA 54 N 1.10 1.44 0.00 0.00 0.00 -1.02 -0.84 119.26 119.95 2k3i h ALA 54 Ca 0.22 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2k3i h ALA 54 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2k3i h ALA 54 CO -0.01 0.43 -1.36 0.00 0.00 0.00 0.00 179.25 178.31 2k3i h ALA 55 N 1.54 0.58 -0.21 0.00 0.00 -1.12 -3.34 119.26 116.71 2k3i h ALA 55 Ca 0.17 -1.18 -0.17 0.00 0.00 0.00 0.00 54.91 53.73 2k3i h ALA 55 Cb 0.13 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k3i h ALA 55 CO -0.02 1.40 -0.57 0.00 0.00 0.00 0.00 179.25 180.06 2k3i h ALA 56 N 1.03 0.62 -2.15 0.00 0.00 -0.34 -3.41 119.26 115.00 2k3i h ALA 56 Ca -0.15 -0.52 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 2k3i h ALA 56 Cb 1.88 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 2k3i h ALA 56 CO 0.10 0.69 0.46 0.45 0.00 0.00 0.00 179.25 180.95 2k3i s SER 57 N -6.94 6.63 0.00 0.00 0.15 -0.35 -4.75 113.70 108.45 2k3i s SER 57 Ca -0.08 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2k3i s SER 57 Cb 0.11 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2k3i s SER 57 CO 0.86 -0.73 0.50 -1.20 1.20 0.00 0.00 173.24 173.86 2k3i n SER 58 N 6.46 0.98 -0.45 5.45 7.64 -1.26 -3.90 113.62 128.54 2k3i n SER 58 Ca 0.05 -1.98 0.03 0.00 1.01 0.00 0.00 58.87 57.98 2k3i n SER 58 Cb 0.48 -0.49 0.09 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 2.54 0.00 -0.43 0.00 -1.26 -4.91 120.51 116.45 2k3i n ALA 59 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2k3i n ALA 59 Cb 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.60 0.00 8.00 -1.25 -4.43 116.55 117.35 2k3i n ASP 60 Ca 0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 2k3i n ASP 60 Cb 0.22 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.43 2k3i n ASP 60 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2k3i n GLU 61 N 0.00 1.77 0.00 -1.24 2.13 -1.26 -5.00 120.64 117.05 2k3i n GLU 61 Ca 0.00 -1.57 0.00 0.00 0.66 0.00 0.00 57.16 56.25 2k3i n GLU 61 Cb 0.00 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.07 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 -0.30 2.49 3.29 8.31 0.00 -1.26 -4.87 105.19 112.85 2k3i n GLY 62 Ca 0.30 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.84 -0.21 4.61 0.00 -1.26 -4.45 121.76 120.29 2k3i s ALA 63 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 51.96 49.75 2k3i s ALA 63 Cb 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 23.12 24.54 2k3i s ALA 63 CO 0.00 -0.64 0.65 -1.12 0.00 0.00 0.00 175.76 174.65 2k3i s SER 64 N -3.36 6.67 -0.13 0.00 0.01 -0.18 -4.94 113.70 111.78 2k3i s SER 64 Ca 0.40 0.82 -0.01 0.00 1.31 0.00 0.00 55.95 58.46 2k3i s SER 64 Cb 0.03 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.94 2k3i s SER 64 CO 0.25 -0.32 -0.01 0.54 0.41 0.00 0.00 173.24 174.12 2k3i s VAL 65 N 2.13 0.64 -0.13 3.43 0.11 -1.25 0.27 120.40 125.60 2k3i s VAL 65 Ca 0.29 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2k3i s VAL 65 Cb -0.16 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2k3i s VAL 65 CO 0.10 0.12 -0.15 0.00 -3.33 0.00 0.00 175.10 171.84 2k3i s ALA 66 N 1.84 1.83 -0.05 1.54 0.00 -0.71 -4.97 121.76 121.24 2k3i s ALA 66 Ca 0.03 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2k3i s ALA 66 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2k3i s ALA 66 CO -0.07 -0.22 -0.24 1.52 0.00 0.00 0.00 175.76 176.75 2k3i s TYR 67 N 1.22 2.35 0.35 0.00 1.13 -1.26 -0.57 117.35 120.56 2k3i s TYR 67 Ca -0.01 -0.66 0.08 0.00 -1.41 0.00 0.00 57.07 55.07 2k3i s TYR 67 Cb -0.14 -1.54 -0.05 0.00 -1.10 0.00 0.00 41.96 39.13 2k3i s TYR 67 CO -0.06 -0.19 0.09 0.15 -2.51 0.00 0.00 175.55 173.03 2k3i s LYS 68 N -0.21 2.22 -0.16 -3.49 1.02 0.91 -4.97 119.74 115.07 2k3i s LYS 68 Ca -0.02 -1.67 -0.04 0.00 0.02 0.00 0.00 55.97 54.27 2k3i s LYS 68 Cb -0.13 -2.04 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 2k3i s LYS 68 CO 0.03 0.10 0.06 0.42 -0.92 0.00 0.00 175.35 175.03 2k3i s ILE 69 N -2.49 0.22 -0.50 2.17 1.01 -1.26 -1.54 121.20 118.82 2k3i s ILE 69 Ca 0.37 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2k3i s ILE 69 Cb -0.01 -0.75 0.13 0.00 0.01 0.00 0.00 42.46 41.84 2k3i s ILE 69 CO 0.21 -0.18 0.38 -0.75 0.00 0.00 0.00 174.94 174.61 2k3i s LYS 70 N 2.00 2.58 -0.48 2.79 2.20 -0.57 -4.96 119.74 123.30 2k3i s LYS 70 Ca 0.01 -1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 53.53 2k3i s LYS 70 Cb -0.16 -3.98 0.01 0.00 -1.51 0.00 0.00 37.83 32.19 2k3i s LYS 70 CO -0.08 -1.22 1.42 0.16 -0.36 0.00 0.00 175.35 175.27 2k3i s ASP 71 N 2.70 6.23 0.11 1.43 -4.77 -1.26 -0.55 116.67 120.56 2k3i s ASP 71 Ca 0.06 0.59 0.00 0.00 -3.30 0.00 0.00 52.55 49.91 2k3i s ASP 71 Cb -0.26 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 2k3i s ASP 71 CO -0.01 -1.56 0.00 0.18 0.70 0.00 0.00 175.17 174.48 2k3i n LEU 72 N 9.20 0.00 -4.56 2.11 4.77 0.50 -4.99 117.00 124.03 2k3i n LEU 72 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 2k3i n LEU 72 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2k3i n LEU 72 CO 0.71 -0.50 1.31 -0.70 -1.33 0.00 0.00 177.39 176.88 2k3i s GLU 73 N -2.10 3.12 0.00 3.23 2.12 -1.26 -4.12 118.70 119.69 2k3i s GLU 73 Ca 0.00 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2k3i s GLU 73 Cb 0.00 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2k3i s GLU 73 CO 0.00 -2.18 0.00 0.41 -0.54 0.00 0.00 175.26 172.95 2k3i n GLY 74 N 5.40 2.25 3.91 -1.50 0.00 -1.26 -4.95 105.19 109.03 2k3i n GLY 74 Ca 0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 2.53 0.11 1.61 -2.07 -1.26 -4.72 119.66 115.86 2k3i s GLN 75 Ca 0.00 -1.55 0.05 0.00 -1.82 0.00 0.00 55.36 52.04 2k3i s GLN 75 Cb 0.00 -2.42 -0.04 0.00 -1.09 0.00 0.00 33.01 29.46 2k3i s GLN 75 CO 0.00 -0.30 -0.13 0.14 -1.32 0.00 0.00 175.29 173.69 2k3i s VAL 76 N -2.50 1.16 -0.28 3.63 -7.23 -0.00 -0.37 120.40 114.81 2k3i s VAL 76 Ca 0.49 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.95 2k3i s VAL 76 Cb -0.04 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.48 2k3i s VAL 76 CO 0.29 -0.45 0.04 -0.70 -0.31 0.00 0.00 175.10 173.97 2k3i s GLU 77 N -2.63 3.11 -0.36 4.82 2.12 0.29 -0.35 118.70 125.68 2k3i s GLU 77 Ca 0.07 -0.83 -0.20 0.00 0.36 0.00 0.00 54.97 54.36 2k3i s GLU 77 Cb -0.05 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2k3i s GLU 77 CO 0.02 -0.40 0.62 -1.17 -0.54 0.00 0.00 175.26 173.79 2k3i s LEU 78 N 1.47 4.30 -0.29 2.70 1.98 -0.00 -1.51 118.68 127.33 2k3i s LEU 78 Ca 0.03 0.06 -0.06 0.00 -2.89 0.00 0.00 54.13 51.27 2k3i s LEU 78 Cb -0.17 -2.74 0.01 0.00 0.66 0.00 0.00 46.19 43.95 2k3i s LEU 78 CO 0.01 -0.60 0.06 -0.62 -1.89 0.00 0.00 176.35 173.31 2k3i s ASP 79 N 1.81 5.03 -0.09 3.68 2.15 -0.59 -1.70 116.67 126.96 2k3i s ASP 79 Ca 0.23 -0.75 0.03 0.00 0.43 0.00 0.00 52.55 52.49 2k3i s ASP 79 Cb -0.15 -1.85 -0.01 0.00 -0.30 0.00 0.00 42.92 40.61 2k3i s ASP 79 CO 0.15 -0.19 -0.18 0.00 -0.17 0.00 0.00 175.17 174.78 2k3i s ALA 80 N 1.47 2.44 -0.31 3.66 0.00 0.13 -0.06 121.76 129.09 2k3i s ALA 80 Ca 0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2k3i s ALA 80 Cb -0.17 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.04 2k3i s ALA 80 CO 0.02 0.35 0.02 0.00 0.00 0.00 0.00 175.76 176.15 2k3i s ALA 81 N 0.02 2.84 -0.35 0.00 0.00 0.26 -0.26 121.76 124.27 2k3i s ALA 81 Ca -0.06 -1.95 -0.12 0.00 0.00 0.00 0.00 51.96 49.83 2k3i s ALA 81 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2k3i s ALA 81 CO 0.05 -1.38 0.22 -0.06 0.00 0.00 0.00 175.76 174.58 2k3i s PHE 82 N 1.18 3.22 -0.39 0.00 0.08 0.77 -1.74 117.98 121.10 2k3i s PHE 82 Ca -0.02 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.39 2k3i s PHE 82 Cb -0.20 -2.45 0.07 0.00 -0.57 0.00 0.00 43.02 39.86 2k3i s PHE 82 CO -0.03 -0.50 0.20 0.99 -0.10 0.00 0.00 175.22 175.79 2k3i s THR 83 N 1.64 4.00 0.29 0.64 2.01 0.14 0.09 115.64 124.45 2k3i s THR 83 Ca 0.04 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.63 2k3i s THR 83 Cb -0.18 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2k3i s THR 83 CO 0.08 -0.41 0.56 -0.36 -0.69 0.00 0.00 174.62 173.80 2k3i s PHE 84 N 1.39 3.47 0.18 4.92 0.40 -0.53 -1.01 117.98 126.81 2k3i s PHE 84 Ca 0.02 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.08 2k3i s PHE 84 Cb -0.22 -2.14 0.06 0.00 0.51 0.00 0.00 43.02 41.23 2k3i s PHE 84 CO 0.02 0.17 1.42 0.77 0.70 0.00 0.00 175.22 178.30 2k3i h SER 85 N 1.76 0.18 -4.29 1.36 0.02 -1.88 -3.45 113.55 107.26 2k3i h SER 85 Ca -0.47 -0.14 -0.59 0.00 -0.84 0.00 0.00 61.79 59.74 2k3i h SER 85 Cb 1.19 -0.06 -0.26 0.00 0.14 0.00 0.00 62.40 63.41 2k3i h SER 85 CO 0.66 0.92 -0.84 0.00 -1.14 0.00 0.00 176.83 176.43 2k3i h GLN 87 N 4.88 0.26 -0.82 0.00 4.15 -1.94 -2.46 115.11 119.17 2k3i h GLN 87 Ca -0.43 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 58.95 2k3i h GLN 87 Cb 1.16 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 2k3i h GLN 87 CO 0.44 0.51 0.54 0.00 -1.93 0.00 0.00 178.83 178.39 2k3i h ALA 88 N 1.50 1.53 -0.06 3.38 0.00 -1.99 -1.41 119.26 122.21 2k3i h ALA 88 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k3i h ALA 88 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k3i h ALA 88 CO 0.04 0.37 -0.34 0.93 0.00 0.00 0.00 179.25 180.25 2k3i h GLU 89 N 0.98 0.11 0.31 0.00 4.39 -1.73 -2.41 114.58 116.22 2k3i h GLU 89 Ca 0.34 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2k3i h GLU 89 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k3i h GLU 89 CO -0.11 0.44 -0.15 1.98 -1.16 0.00 0.00 179.01 180.02 2k3i h MET 90 N 0.09 -0.40 -0.51 2.33 4.05 -1.21 -1.67 114.93 117.60 2k3i h MET 90 Ca 0.01 0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 2k3i h MET 90 Cb 0.66 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2k3i h MET 90 CO 0.05 -0.11 -0.12 -0.84 0.23 0.00 0.00 176.91 176.12 2k3i h ILE 91 N -0.68 1.27 0.00 1.77 3.07 -1.45 -2.30 117.51 119.17 2k3i h ILE 91 Ca -0.04 -1.26 -0.09 0.00 1.55 0.00 0.00 64.86 65.02 2k3i h ILE 91 Cb 0.48 0.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.01 2k3i h ILE 91 CO 0.07 0.44 -0.45 0.16 -1.05 0.00 0.00 178.15 177.32 2k3i h ILE 92 N 0.86 1.30 0.19 0.16 -0.00 -1.48 -1.24 117.51 117.30 2k3i h ILE 92 Ca 0.13 -1.55 -0.01 0.00 -0.00 0.00 0.00 64.86 63.44 2k3i h ILE 92 Cb 0.66 1.84 0.00 0.00 -0.00 0.00 0.00 36.82 39.33 2k3i h ILE 92 CO 0.05 0.44 -0.09 0.15 -0.00 0.00 0.00 178.15 178.69 2k3i h PHE 93 N 0.00 -0.24 -0.05 0.16 3.57 -0.89 -2.10 116.94 117.39 2k3i h PHE 93 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2k3i h PHE 93 Cb 0.80 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2k3i h PHE 93 CO 0.00 -0.04 -0.46 1.05 -2.23 0.00 0.00 178.31 176.63 2k3i h GLU 94 N -0.41 0.12 -0.48 1.11 4.11 -1.28 -2.40 114.58 115.36 2k3i h GLU 94 Ca -0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2k3i h GLU 94 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2k3i h GLU 94 CO 0.04 0.56 0.27 -0.07 0.07 0.00 0.00 179.01 179.89 2k3i h LEU 95 N 0.10 0.59 -1.86 3.06 3.38 -1.17 -1.26 115.31 118.15 2k3i h LEU 95 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k3i h LEU 95 Cb 0.86 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k3i h LEU 95 CO 0.07 0.50 -0.09 0.28 0.09 0.00 0.00 178.44 179.28 2k3i h SER 96 N 0.63 0.00 0.84 -0.43 0.02 -1.03 -1.63 113.55 111.96 2k3i h SER 96 Ca 0.17 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 2k3i h SER 96 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2k3i h SER 96 CO -0.03 0.09 -0.92 -0.07 -1.14 0.00 0.00 176.83 174.77 2k3i h LEU 97 N 0.00 0.06 0.08 5.07 3.38 -0.85 -3.23 115.31 119.82 2k3i h LEU 97 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k3i h LEU 97 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k3i h LEU 97 CO 0.01 0.94 -0.04 0.03 0.09 0.00 0.00 178.44 179.47 2k3i h ARG 98 N 0.02 -0.11 0.00 1.13 3.08 -0.24 0.24 114.38 118.50 2k3i h ARG 98 Ca -0.02 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2k3i h ARG 98 Cb 1.60 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 2k3i h ARG 98 CO 0.12 0.04 -0.39 0.66 -1.07 0.00 0.00 179.97 179.33 2k3i h SER 99 N -0.24 0.00 -0.22 7.04 4.64 -1.70 -2.58 113.55 120.49 2k3i h SER 99 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2k3i h SER 99 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2k3i h SER 99 CO 0.02 0.39 -0.11 0.25 -0.87 0.00 0.00 176.83 176.52 2k3i h LEU 100 N 0.00 0.47 -0.53 5.97 6.46 -1.49 -3.03 115.31 123.16 2k3i h LEU 100 Ca -0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2k3i h LEU 100 Cb 0.78 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2k3i h LEU 100 CO 0.05 0.78 0.00 0.00 -0.62 0.00 0.00 178.44 178.65 2k3i n ALA 101 N -2.41 2.53 0.41 1.25 0.00 0.82 -3.15 120.51 119.96 2k3i n ALA 101 Ca -0.05 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2k3i n ALA 101 Cb 0.33 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 18.99 2k3i n ALA 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k3i h LEU 102 N 0.28 0.00 -5.87 0.00 3.38 -1.34 -3.40 115.31 108.36 2k3i h LEU 102 Ca 0.00 -0.06 -0.72 0.00 0.09 0.00 0.00 57.88 57.19 2k3i h LEU 102 Cb 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2k3i h LEU 102 CO 0.01 0.03 2.81 -0.62 0.09 0.00 0.00 178.44 180.76 2k3i n GLU 103 N -2.53 3.58 0.00 1.13 1.02 -1.19 -4.74 120.64 117.92 2k3i n GLU 103 Ca 0.04 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 2k3i n GLU 103 Cb 0.48 -2.96 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2k3i n GLU 103 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k3i n HIS 104 N 4.09 0.00 -2.16 -0.32 1.44 -1.26 -5.15 115.22 111.86 2k3i n HIS 104 Ca 0.55 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.89 2k3i n HIS 104 Cb 0.32 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.43 2k3i n HIS 104 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k3i s HIS 105 N -0.41 2.80 -0.07 -1.40 -3.43 -1.26 -5.04 115.29 106.48 2k3i s HIS 105 Ca 0.00 1.50 -0.07 0.00 -0.80 0.00 0.00 55.06 55.69 2k3i s HIS 105 Cb 0.00 -3.48 0.02 0.00 -1.43 0.00 0.00 32.58 27.68 2k3i s HIS 105 CO 0.00 -1.78 0.19 -3.38 -2.00 0.00 0.00 174.74 167.77 2k3i s HIS 106 N -1.45 -0.21 -0.30 0.38 -3.43 -1.26 -5.13 115.29 103.88 2k3i s HIS 106 Ca 0.63 0.51 -0.18 0.00 -0.80 0.00 0.00 55.06 55.22 2k3i s HIS 106 Cb -0.32 0.07 0.19 0.00 -1.43 0.00 0.00 32.58 31.09 2k3i s HIS 106 CO 0.39 -0.10 1.22 -1.58 -2.00 0.00 0.00 174.74 172.67 2k3i s HIS 107 N 0.11 -0.20 -0.30 0.38 2.46 -1.26 -5.16 115.29 111.31 2k3i s HIS 107 Ca -0.00 0.32 -0.06 0.00 0.47 0.00 0.00 55.06 55.79 2k3i s HIS 107 Cb -0.01 0.11 0.16 0.00 -0.13 0.00 0.00 32.58 32.71 2k3i s HIS 107 CO 0.00 -0.10 0.68 -1.58 -2.47 0.00 0.00 174.74 171.27 2k3i s HIS 108 N 2.30 -1.36 0.00 3.88 5.04 -1.26 -5.36 115.29 118.53 2k3i s HIS 108 Ca -0.01 1.82 0.00 0.00 -1.54 0.00 0.00 55.06 55.33 2k3i s HIS 108 Cb -0.03 0.62 0.00 0.00 0.04 0.00 0.00 32.58 33.21 2k3i s HIS 108 CO -0.15 -0.71 0.00 1.58 -2.34 0.00 0.00 174.74 173.12