#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 3.46 0.05 3.04 0.00 -1.26 -5.02 121.76 122.03 2k3i s ALA 2 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2k3i s ALA 2 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2k3i s ALA 2 CO 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 175.76 175.14 2k3i s MET 3 N 2.13 0.62 -0.19 0.00 0.00 -1.26 -5.15 119.30 115.45 2k3i s MET 3 Ca 0.54 -0.85 -0.05 0.00 0.00 0.00 0.00 55.69 55.33 2k3i s MET 3 Cb -0.23 0.24 0.09 0.00 0.00 0.00 0.00 34.83 34.93 2k3i s MET 3 CO 0.21 -0.16 0.33 0.21 0.00 0.00 0.00 175.02 175.61 2k3i s LYS 4 N -2.95 0.25 -0.26 3.16 2.20 -1.26 -5.11 119.74 115.77 2k3i s LYS 4 Ca -0.02 0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2k3i s LYS 4 Cb 0.01 -0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.23 2k3i s LYS 4 CO -0.06 -0.41 0.05 0.34 -0.36 0.00 0.00 175.35 174.91 2k3i s ASP 5 N 2.49 3.64 -0.09 1.43 2.15 -1.26 -5.12 116.67 119.91 2k3i s ASP 5 Ca 0.04 -1.30 -0.02 0.00 0.43 0.00 0.00 52.55 51.71 2k3i s ASP 5 Cb -0.13 -0.84 -0.03 0.00 -0.30 0.00 0.00 42.92 41.61 2k3i s ASP 5 CO -0.12 -0.35 -0.01 0.68 -0.17 0.00 0.00 175.17 175.20 2k3i s VAL 6 N 1.65 4.20 -0.81 1.11 -7.23 -1.26 -5.06 120.40 112.99 2k3i s VAL 6 Ca 0.04 -0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 2k3i s VAL 6 Cb -0.17 -2.77 0.20 0.00 0.56 0.00 0.00 36.38 34.20 2k3i s VAL 6 CO -0.16 0.59 0.69 -0.69 -0.31 0.00 0.00 175.10 175.22 2k3i s VAL 7 N -0.73 4.40 -0.23 1.32 1.01 -1.26 -4.99 120.40 119.93 2k3i s VAL 7 Ca 0.11 -3.39 -0.03 0.00 0.00 0.00 0.00 61.98 58.68 2k3i s VAL 7 Cb -0.12 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2k3i s VAL 7 CO 0.02 -1.02 0.27 -0.62 0.00 0.00 0.00 175.10 173.75 2k3i s ASP 8 N 0.48 1.22 -0.41 3.32 2.15 -1.26 -5.05 116.67 117.12 2k3i s ASP 8 Ca 0.23 -0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.01 2k3i s ASP 8 Cb -0.12 0.55 0.17 0.00 -0.30 0.00 0.00 42.92 43.22 2k3i s ASP 8 CO -0.09 -0.33 0.44 -0.54 -0.17 0.00 0.00 175.17 174.48 2k3i s LYS 9 N 2.38 0.78 0.31 4.34 1.02 -1.26 -5.14 119.74 122.16 2k3i s LYS 9 Ca 0.09 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.65 2k3i s LYS 9 Cb -0.15 -0.72 -0.09 0.00 -0.52 0.00 0.00 37.83 36.34 2k3i s LYS 9 CO -0.17 -1.26 1.05 0.00 -0.92 0.00 0.00 175.35 174.05 2k3i s SER 11 N -1.14 6.19 0.00 0.00 0.01 -1.26 -5.03 113.70 112.47 2k3i s SER 11 Ca 0.48 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2k3i s SER 11 Cb -0.28 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k3i s SER 11 CO 0.35 -0.93 0.00 0.35 0.41 0.00 0.00 173.24 173.42 2k3i n THR 12 N 5.42 0.00 -0.59 1.44 -2.24 -1.26 -5.09 114.28 111.96 2k3i n THR 12 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k3i n THR 12 Cb 0.42 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2k3i n THR 12 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k3i n LYS 13 N -0.17 -1.65 0.00 -0.78 4.01 -1.26 -5.11 118.16 113.19 2k3i n LYS 13 Ca 0.00 1.25 0.00 0.00 -0.51 0.00 0.00 58.31 59.05 2k3i n LYS 13 Cb 0.00 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 2k3i n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k3i n GLY 14 N -1.30 1.43 3.18 0.72 0.00 -1.26 -5.18 105.19 102.78 2k3i n GLY 14 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.99 -0.55 0.13 0.00 0.00 -1.26 -5.14 121.76 112.95 2k3i s ALA 16 Ca 0.03 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2k3i s ALA 16 Cb -0.06 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2k3i s ALA 16 CO 0.01 -2.13 0.12 0.44 0.00 0.00 0.00 175.76 174.21 2k3i n ILE 17 N 3.42 0.00 -0.62 0.00 -5.35 -1.26 -5.13 119.36 110.42 2k3i n ILE 17 Ca 0.19 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 2k3i n ILE 17 Cb 0.50 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 -2.39 -4.31 -1.17 7.28 -0.08 -1.26 -4.89 116.55 109.72 2k3i n ASP 18 Ca 0.03 0.46 0.10 0.00 -1.51 0.00 0.00 54.79 53.86 2k3i n ASP 18 Cb 0.23 -1.09 0.28 0.00 2.34 0.00 0.00 41.12 42.88 2k3i n ASP 18 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2k3i n ILE 19 N -0.41 1.18 0.00 5.18 5.41 -1.26 -4.98 119.36 124.48 2k3i n ILE 19 Ca 0.00 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.69 2k3i n ILE 19 Cb 0.00 0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 2k3i n ILE 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k3i n GLY 20 N 1.16 2.23 0.99 7.39 0.00 -1.26 -4.86 105.19 110.84 2k3i n GLY 20 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2k3i n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3i n THR 21 N 0.00 -4.95 -4.28 2.61 -1.04 -1.26 -5.09 114.28 100.27 2k3i n THR 21 Ca 0.00 0.86 -0.13 0.00 -2.04 0.00 0.00 64.05 62.75 2k3i n THR 21 Cb 0.00 -3.09 -0.03 0.00 -1.82 0.00 0.00 70.33 65.39 2k3i n THR 21 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2k3i n VAL 22 N 0.48 0.00 -1.37 12.58 0.24 -1.26 -5.07 118.33 123.93 2k3i n VAL 22 Ca 0.00 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2k3i n VAL 22 Cb 0.00 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 2k3i n VAL 22 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2k3i n ILE 23 N -0.48 -7.76 -2.75 1.34 5.41 -1.26 -4.89 119.36 108.98 2k3i n ILE 23 Ca -0.07 1.68 -0.43 0.00 1.00 0.00 0.00 62.75 64.94 2k3i n ILE 23 Cb 0.26 -3.95 -0.04 0.00 -0.71 0.00 0.00 39.64 35.20 2k3i n ILE 23 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2k3i s ASP 24 N -0.27 6.33 0.22 4.38 1.01 -1.26 -5.01 116.67 122.08 2k3i s ASP 24 Ca 0.00 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.65 2k3i s ASP 24 Cb 0.00 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 2k3i s ASP 24 CO 0.00 -1.37 1.22 0.21 0.21 0.00 0.00 175.17 175.44 2k3i s ASN 25 N 3.05 7.03 0.00 0.27 3.84 -1.26 -4.93 114.94 122.93 2k3i s ASN 25 Ca 0.33 2.34 0.28 0.00 0.21 0.00 0.00 52.86 56.02 2k3i s ASN 25 Cb -0.11 -2.62 1.07 0.00 -0.55 0.00 0.00 41.25 39.04 2k3i s ASN 25 CO 0.19 -0.39 1.78 0.47 -2.79 0.00 0.00 177.10 176.36 2k3i n ASP 26 N 2.13 0.29 -4.07 -4.21 8.00 -1.26 -4.88 116.55 112.55 2k3i n ASP 26 Ca 0.03 -0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 2k3i n ASP 26 Cb 0.44 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.79 0.08 -0.11 -2.24 6.03 -1.26 -5.05 114.94 109.59 2k3i s ASN 27 Ca 0.19 -1.08 0.17 0.00 -1.03 0.00 0.00 52.86 51.11 2k3i s ASN 27 Cb 0.19 0.44 0.66 0.00 -3.03 0.00 0.00 41.25 39.51 2k3i s ASN 27 CO 0.55 -0.92 1.57 0.00 -2.03 0.00 0.00 177.10 176.28 2k3i s THR 29 N -1.85 4.34 -0.33 0.00 2.01 -1.26 -2.25 115.64 116.30 2k3i s THR 29 Ca 0.48 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 2k3i s THR 29 Cb 0.31 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2k3i s THR 29 CO 0.22 0.49 0.32 -0.55 -0.69 0.00 0.00 174.62 174.41 2k3i s SER 30 N 0.20 6.14 -0.37 3.53 0.15 0.13 -4.88 113.70 118.60 2k3i s SER 30 Ca 0.01 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 2k3i s SER 30 Cb -0.13 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2k3i s SER 30 CO 0.02 -0.27 0.28 -0.54 1.20 0.00 0.00 173.24 173.93 2k3i s LYS 31 N 1.93 3.29 -0.18 5.44 3.01 -1.26 -0.28 119.74 131.69 2k3i s LYS 31 Ca 0.10 -0.76 0.01 0.00 -1.01 0.00 0.00 55.97 54.31 2k3i s LYS 31 Cb -0.17 -3.88 0.03 0.00 -1.01 0.00 0.00 37.83 32.80 2k3i s LYS 31 CO 0.11 -0.58 -0.17 0.12 0.51 0.00 0.00 175.35 175.34 2k3i s PHE 32 N 1.75 2.67 -0.08 3.18 5.36 0.23 -4.99 117.98 126.11 2k3i s PHE 32 Ca 0.06 -1.62 0.04 0.00 -0.96 0.00 0.00 56.93 54.45 2k3i s PHE 32 Cb -0.18 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 2k3i s PHE 32 CO 0.11 -0.78 -0.20 -1.12 -1.46 0.00 0.00 175.22 171.76 2k3i s SER 33 N 1.32 2.64 0.05 6.13 0.01 -1.26 -0.51 113.70 122.09 2k3i s SER 33 Ca 0.03 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2k3i s SER 33 Cb -0.14 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 2k3i s SER 33 CO -0.11 0.13 -0.06 -0.13 0.41 0.00 0.00 173.24 173.49 2k3i s ARG 34 N 0.34 0.58 -0.12 12.44 1.81 0.95 -4.98 118.95 129.96 2k3i s ARG 34 Ca -0.15 -0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 52.86 2k3i s ARG 34 Cb -0.16 -0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.22 2k3i s ARG 34 CO 0.06 -0.02 -0.00 -0.06 -0.68 0.00 0.00 175.30 174.60 2k3i s PHE 35 N -2.48 3.12 0.25 -0.53 0.08 -1.26 0.20 117.98 117.36 2k3i s PHE 35 Ca -0.02 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.05 2k3i s PHE 35 Cb -0.02 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 2k3i s PHE 35 CO -0.03 0.25 0.05 -0.06 -0.10 0.00 0.00 175.22 175.33 2k3i s PHE 36 N -0.27 1.57 -0.00 0.36 0.08 -0.10 -4.96 117.98 114.66 2k3i s PHE 36 Ca 0.06 -1.06 -0.24 0.00 0.12 0.00 0.00 56.93 55.81 2k3i s PHE 36 Cb -0.12 -0.94 -0.15 0.00 -0.57 0.00 0.00 43.02 41.24 2k3i s PHE 36 CO 0.02 -0.19 1.08 0.00 -0.10 0.00 0.00 175.22 176.03 2k3i h ALA 37 N 2.40 -0.57 -1.99 5.36 0.00 -1.89 0.14 119.26 122.72 2k3i h ALA 37 Ca -0.38 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 53.81 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 0.63 -0.62 -0.65 0.95 0.00 0.00 0.00 179.25 179.56 2k3i s THR 38 N -4.36 1.72 0.43 0.00 -4.23 -1.26 -3.93 115.64 104.01 2k3i s THR 38 Ca -0.13 -2.10 0.16 0.00 -1.18 0.00 0.00 61.69 58.43 2k3i s THR 38 Cb 0.02 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.42 2k3i s THR 38 CO 0.46 -0.19 1.98 -0.09 -0.54 0.00 0.00 174.62 176.24 2k3i h ARG 39 N 2.13 0.00 -0.30 3.99 2.43 -1.93 -1.98 114.38 118.72 2k3i h ARG 39 Ca -0.41 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 2k3i h ARG 39 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2k3i h ARG 39 CO 0.70 0.20 0.16 0.93 -1.51 0.00 0.00 179.97 180.45 2k3i h GLU 40 N 0.00 0.32 0.00 0.20 5.08 -2.00 -1.55 114.58 116.63 2k3i h GLU 40 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k3i h GLU 40 Cb 0.37 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k3i h GLU 40 CO 0.03 0.21 -0.00 0.93 -1.00 0.00 0.00 179.01 179.18 2k3i h GLU 41 N 0.33 0.00 -0.11 2.33 4.39 -1.77 -2.37 114.58 117.37 2k3i h GLU 41 Ca 0.12 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 2k3i h GLU 41 Cb 0.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k3i h GLU 41 CO -0.08 0.00 -0.66 0.00 -1.16 0.00 0.00 179.01 177.12 2k3i h ALA 42 N 2.00 0.23 -0.36 3.43 0.00 -0.99 -2.98 119.26 120.58 2k3i h ALA 42 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2k3i h ALA 42 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k3i h ALA 42 CO 0.00 0.52 0.03 0.93 0.00 0.00 0.00 179.25 180.73 2k3i h GLU 43 N 0.29 0.55 -0.89 0.00 5.08 -0.93 -1.24 114.58 117.43 2k3i h GLU 43 Ca -0.05 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2k3i h GLU 43 Cb 1.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2k3i h GLU 43 CO 0.13 0.55 0.59 1.03 -1.00 0.00 0.00 179.01 180.31 2k3i h SER 44 N 0.53 1.01 1.10 1.42 0.87 -1.35 -1.25 113.55 115.88 2k3i h SER 44 Ca 0.12 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 2k3i h SER 44 Cb 0.29 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2k3i h SER 44 CO 0.01 0.73 -0.90 0.15 -0.53 0.00 0.00 176.83 176.28 2k3i h PHE 45 N 1.19 0.00 -0.02 2.24 3.57 -1.20 -3.01 116.94 119.70 2k3i h PHE 45 Ca 0.33 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2k3i h PHE 45 Cb -0.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2k3i h PHE 45 CO -0.00 0.90 -0.40 1.98 -2.23 0.00 0.00 178.31 178.56 2k3i h MET 46 N 0.00 0.05 -0.21 1.11 4.05 -0.76 -1.14 114.93 118.03 2k3i h MET 46 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2k3i h MET 46 Cb 1.69 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.48 2k3i h MET 46 CO 0.12 0.44 0.09 1.15 0.23 0.00 0.00 176.91 178.94 2k3i h THR 47 N 0.04 1.15 0.00 -0.77 2.02 -1.10 -1.22 112.91 113.02 2k3i h THR 47 Ca 0.00 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 2k3i h THR 47 Cb 0.73 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2k3i h THR 47 CO 0.05 0.14 -0.55 0.07 0.37 0.00 0.00 175.52 175.61 2k3i h LYS 48 N 0.19 0.00 -0.86 6.66 2.10 -1.55 -2.92 116.57 120.20 2k3i h LYS 48 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2k3i h LYS 48 Cb 0.14 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 2k3i h LYS 48 CO -0.01 0.55 0.50 -0.07 -2.00 0.00 0.00 179.45 178.42 2k3i h LEU 49 N 0.00 1.04 -0.90 7.07 -0.00 -0.80 0.11 115.31 121.83 2k3i h LEU 49 Ca -0.01 -0.07 0.01 0.00 -0.00 0.00 0.00 57.88 57.81 2k3i h LEU 49 Cb 1.09 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.44 2k3i h LEU 49 CO 0.07 0.81 0.59 0.11 -0.00 0.00 0.00 178.44 180.02 2k3i h LYS 50 N 1.19 1.19 -0.39 1.13 1.57 -1.05 0.15 116.57 120.37 2k3i h LYS 50 Ca 0.31 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2k3i h LYS 50 Cb -0.02 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2k3i h LYS 50 CO -0.05 0.80 0.09 0.93 -0.57 0.00 0.00 179.45 180.64 2k3i h GLU 51 N 1.23 0.63 -0.69 3.15 5.08 -1.21 -0.35 114.58 122.42 2k3i h GLU 51 Ca 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2k3i h GLU 51 Cb -0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2k3i h GLU 51 CO -0.07 0.66 0.38 -0.07 -1.00 0.00 0.00 179.01 178.92 2k3i h LEU 52 N 0.49 0.85 -0.64 1.33 3.38 -0.42 -0.49 115.31 119.81 2k3i h LEU 52 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2k3i h LEU 52 Cb 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k3i h LEU 52 CO 0.00 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.40 2k3i h ALA 53 N 1.19 0.84 -0.52 1.53 0.00 -0.53 0.26 119.26 122.03 2k3i h ALA 53 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k3i h ALA 53 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2k3i h ALA 53 CO -0.04 0.54 0.22 0.00 0.00 0.00 0.00 179.25 179.97 2k3i h ALA 54 N 1.06 0.68 -0.29 0.00 0.00 -0.67 0.82 119.26 120.86 2k3i h ALA 54 Ca 0.20 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2k3i h ALA 54 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k3i h ALA 54 CO -0.00 0.28 -0.36 0.00 0.00 0.00 0.00 179.25 179.17 2k3i h ALA 55 N 1.06 0.83 0.08 0.00 0.00 -0.91 -3.28 119.26 117.04 2k3i h ALA 55 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3i h ALA 55 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k3i h ALA 55 CO -0.02 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 2k3i h ALA 56 N 1.06 -0.11 -2.66 0.00 0.00 -0.74 -3.45 119.26 113.37 2k3i h ALA 56 Ca 0.05 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.17 2k3i h ALA 56 Cb 0.88 0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.76 2k3i h ALA 56 CO 0.08 -0.26 0.87 -1.54 0.00 0.00 0.00 179.25 178.40 2k3i s SER 57 N -5.64 6.56 0.00 0.00 1.04 0.26 -4.64 113.70 111.29 2k3i s SER 57 Ca -0.15 2.68 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2k3i s SER 57 Cb 0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2k3i s SER 57 CO 0.59 -0.82 0.01 -1.20 0.98 0.00 0.00 173.24 172.80 2k3i n SER 58 N 3.47 0.03 0.40 7.02 7.64 -1.26 -4.82 113.62 126.10 2k3i n SER 58 Ca 0.12 -0.47 -0.16 0.00 1.01 0.00 0.00 58.87 59.37 2k3i n SER 58 Cb 0.38 0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 64.39 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 0.00 -1.03 -3.00 -0.43 0.00 -1.89 -3.48 119.26 109.43 2k3i h ALA 59 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3i h ALA 59 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k3i h ALA 59 CO 0.00 -0.96 0.00 -3.47 0.00 0.00 0.00 179.25 174.82 2k3i n ASP 60 N -5.46 0.00 0.00 0.00 2.03 -1.26 -5.03 116.55 106.83 2k3i n ASP 60 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2k3i n ASP 60 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.25 2.39 0.00 -0.67 2.13 -1.26 -5.13 120.64 117.86 2k3i n GLU 61 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k3i n GLU 61 Cb 0.00 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 30.91 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 1.66 -1.06 3.18 8.31 0.00 -1.26 -4.67 105.19 111.36 2k3i n GLY 62 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.00 -0.38 4.61 0.00 -1.26 -4.61 121.76 119.12 2k3i s ALA 63 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 2k3i s ALA 63 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2k3i s ALA 63 CO 0.00 -0.48 1.71 -1.12 0.00 0.00 0.00 175.76 175.86 2k3i s SER 64 N -2.89 5.93 -0.33 0.00 0.01 -0.07 -4.82 113.70 111.54 2k3i s SER 64 Ca 0.07 1.07 -0.12 0.00 1.31 0.00 0.00 55.95 58.28 2k3i s SER 64 Cb 0.06 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2k3i s SER 64 CO -0.10 -1.71 0.22 0.54 0.41 0.00 0.00 173.24 172.60 2k3i s VAL 65 N 6.76 5.16 -0.30 3.43 0.11 -1.26 -0.08 120.40 134.22 2k3i s VAL 65 Ca 0.74 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2k3i s VAL 65 Cb -0.19 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.11 2k3i s VAL 65 CO 0.32 0.03 -0.02 0.00 -3.33 0.00 0.00 175.10 172.10 2k3i s ALA 66 N 1.71 2.74 0.13 1.54 0.00 0.07 -4.98 121.76 122.98 2k3i s ALA 66 Ca 0.06 -2.08 0.04 0.00 0.00 0.00 0.00 51.96 49.98 2k3i s ALA 66 Cb -0.17 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2k3i s ALA 66 CO 0.10 -1.41 -0.10 1.52 0.00 0.00 0.00 175.76 175.87 2k3i s TYR 67 N 1.05 1.20 0.04 0.00 1.13 -1.26 -0.51 117.35 119.00 2k3i s TYR 67 Ca -0.01 -0.76 0.03 0.00 -1.41 0.00 0.00 57.07 54.92 2k3i s TYR 67 Cb -0.20 -0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 40.02 2k3i s TYR 67 CO -0.06 0.05 -0.09 -1.59 -2.51 0.00 0.00 175.55 171.35 2k3i s LYS 68 N -3.61 0.58 -0.37 -3.49 0.00 0.31 -4.98 119.74 108.18 2k3i s LYS 68 Ca 0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 55.97 55.35 2k3i s LYS 68 Cb 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 37.83 37.51 2k3i s LYS 68 CO -0.00 0.09 0.14 0.42 0.00 0.00 0.00 175.35 176.00 2k3i s ILE 69 N -1.19 3.42 -0.26 3.79 1.01 -1.26 -1.59 121.20 125.12 2k3i s ILE 69 Ca -0.07 -1.65 -0.18 0.00 0.00 0.00 0.00 60.65 58.75 2k3i s ILE 69 Cb -0.09 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2k3i s ILE 69 CO 0.01 -0.44 0.51 -0.75 0.00 0.00 0.00 174.94 174.27 2k3i s LYS 70 N 1.25 4.07 -0.88 2.79 2.47 0.12 -4.93 119.74 124.64 2k3i s LYS 70 Ca 0.02 0.31 -0.25 0.00 -1.56 0.00 0.00 55.97 54.50 2k3i s LYS 70 Cb -0.22 -3.65 0.02 0.00 -1.46 0.00 0.00 37.83 32.53 2k3i s LYS 70 CO -0.01 -0.34 1.49 -0.51 0.16 0.00 0.00 175.35 176.14 2k3i s ASP 71 N 1.53 6.11 0.43 1.43 1.01 -1.26 -0.97 116.67 124.95 2k3i s ASP 71 Ca 0.21 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2k3i s ASP 71 Cb -0.16 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2k3i s ASP 71 CO 0.09 -1.85 0.00 0.18 0.21 0.00 0.00 175.17 173.80 2k3i n LEU 72 N 10.03 0.00 -4.39 1.23 4.77 -0.01 -5.00 117.00 123.63 2k3i n LEU 72 Ca 0.23 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.76 2k3i n LEU 72 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2k3i n LEU 72 CO 0.67 -0.37 0.54 -1.61 -1.33 0.00 0.00 177.39 175.30 2k3i s GLU 73 N -1.59 3.22 0.00 3.23 2.02 -1.26 -4.07 118.70 120.24 2k3i s GLU 73 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.49 2k3i s GLU 73 Cb 0.00 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.83 2k3i s GLU 73 CO 0.00 -1.58 0.00 0.41 0.02 0.00 0.00 175.26 174.11 2k3i n GLY 74 N 5.16 0.95 3.19 -1.39 0.00 -1.26 -4.98 105.19 106.87 2k3i n GLY 74 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2k3i n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3i n GLN 75 N -2.00 0.93 -4.19 1.61 10.64 -1.26 -4.86 117.38 118.26 2k3i n GLN 75 Ca 0.00 -1.83 -0.13 0.00 -1.83 0.00 0.00 57.00 53.21 2k3i n GLN 75 Cb 0.00 2.30 -0.10 0.00 -0.86 0.00 0.00 30.24 31.57 2k3i n GLN 75 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k3i s VAL 76 N -2.23 0.91 -0.22 -0.39 -7.23 0.50 -0.83 120.40 110.92 2k3i s VAL 76 Ca 0.14 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2k3i s VAL 76 Cb -0.04 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2k3i s VAL 76 CO 0.10 -0.66 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.47 2k3i s GLU 77 N -3.19 3.34 -0.39 4.82 2.12 -0.14 -0.92 118.70 124.34 2k3i s GLU 77 Ca 0.09 -0.64 -0.15 0.00 0.36 0.00 0.00 54.97 54.62 2k3i s GLU 77 Cb -0.00 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.42 2k3i s GLU 77 CO -0.01 -0.20 0.34 -1.17 -0.54 0.00 0.00 175.26 173.68 2k3i s LEU 78 N 1.46 4.81 -0.19 2.70 1.98 0.13 -0.70 118.68 128.88 2k3i s LEU 78 Ca 0.06 -0.63 0.00 0.00 -2.89 0.00 0.00 54.13 50.67 2k3i s LEU 78 Cb -0.14 -2.25 0.04 0.00 0.66 0.00 0.00 46.19 44.50 2k3i s LEU 78 CO -0.04 -0.43 -0.09 -0.62 -1.89 0.00 0.00 176.35 173.29 2k3i s ASP 79 N 1.73 3.26 -0.11 3.68 2.15 -0.62 -0.03 116.67 126.73 2k3i s ASP 79 Ca 0.08 -0.84 0.02 0.00 0.43 0.00 0.00 52.55 52.25 2k3i s ASP 79 Cb -0.18 -1.14 0.01 0.00 -0.30 0.00 0.00 42.92 41.32 2k3i s ASP 79 CO 0.11 -0.16 -0.18 0.00 -0.17 0.00 0.00 175.17 174.77 2k3i s ALA 80 N 1.47 1.84 -0.33 3.66 0.00 0.33 -0.53 121.76 128.20 2k3i s ALA 80 Ca -0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2k3i s ALA 80 Cb -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2k3i s ALA 80 CO -0.08 0.04 0.10 0.00 0.00 0.00 0.00 175.76 175.82 2k3i s ALA 81 N 0.76 3.05 -0.37 0.00 0.00 0.33 -0.60 121.76 124.94 2k3i s ALA 81 Ca -0.11 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 2k3i s ALA 81 Cb -0.16 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2k3i s ALA 81 CO 0.01 -1.25 0.25 -0.06 0.00 0.00 0.00 175.76 174.71 2k3i s PHE 82 N 1.42 3.23 -0.53 0.00 0.40 0.61 -0.75 117.98 122.37 2k3i s PHE 82 Ca -0.01 -0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 55.64 2k3i s PHE 82 Cb -0.19 -2.50 0.06 0.00 0.51 0.00 0.00 43.02 40.90 2k3i s PHE 82 CO 0.03 -0.49 0.71 0.99 0.70 0.00 0.00 175.22 177.16 2k3i s THR 83 N 1.67 4.75 0.88 0.64 2.01 0.88 0.20 115.64 126.67 2k3i s THR 83 Ca 0.05 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 2k3i s THR 83 Cb -0.18 -4.38 0.13 0.00 0.01 0.00 0.00 72.50 68.07 2k3i s THR 83 CO 0.09 -0.93 1.21 -0.36 -0.69 0.00 0.00 174.62 173.94 2k3i s PHE 84 N 2.95 2.46 -0.08 4.92 0.40 -0.95 -0.89 117.98 126.78 2k3i s PHE 84 Ca 0.18 0.65 0.19 0.00 -0.60 0.00 0.00 56.93 57.35 2k3i s PHE 84 Cb -0.18 -3.63 -0.29 0.00 0.51 0.00 0.00 43.02 39.42 2k3i s PHE 84 CO 0.13 -2.17 0.45 0.43 0.70 0.00 0.00 175.22 174.75 2k3i n SER 85 N -3.56 0.60 -4.33 1.36 7.64 -1.26 -4.90 113.62 109.17 2k3i n SER 85 Ca 0.10 -0.06 -0.25 0.00 1.01 0.00 0.00 58.87 59.67 2k3i n SER 85 Cb 0.60 1.83 -0.12 0.00 -1.01 0.00 0.00 64.21 65.51 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 3.76 0.22 -0.16 0.00 4.15 -1.95 -3.14 115.11 117.99 2k3i h GLN 87 Ca -0.46 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 58.76 2k3i h GLN 87 Cb 1.19 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2k3i h GLN 87 CO 0.43 0.88 0.09 0.00 -1.93 0.00 0.00 178.83 178.29 2k3i h ALA 88 N 1.06 0.20 0.00 3.38 0.00 -1.99 -0.69 119.26 121.21 2k3i h ALA 88 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k3i h ALA 88 Cb 1.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k3i h ALA 88 CO 0.12 -0.27 -0.18 1.05 0.00 0.00 0.00 179.25 179.97 2k3i h GLU 89 N 0.15 0.00 -0.00 0.00 4.11 -1.82 -2.13 114.58 114.89 2k3i h GLU 89 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 2k3i h GLU 89 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k3i h GLU 89 CO -0.01 0.18 -0.17 1.98 0.07 0.00 0.00 179.01 181.07 2k3i h MET 90 N 0.00 0.12 -0.19 1.06 4.05 -1.35 -2.74 114.93 115.88 2k3i h MET 90 Ca -0.00 -0.12 -0.12 0.00 -0.28 0.00 0.00 59.70 59.17 2k3i h MET 90 Cb 0.39 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2k3i h MET 90 CO 0.02 0.87 -0.40 -0.84 0.23 0.00 0.00 176.91 176.79 2k3i h ILE 91 N -0.59 1.30 0.00 1.77 3.07 -0.98 -1.53 117.51 120.56 2k3i h ILE 91 Ca -0.02 -1.54 -0.12 0.00 1.55 0.00 0.00 64.86 64.73 2k3i h ILE 91 Cb 0.93 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 39.05 2k3i h ILE 91 CO 0.03 0.48 -0.56 0.16 -1.05 0.00 0.00 178.15 177.21 2k3i h ILE 92 N 0.36 1.39 -0.49 0.16 -0.00 -1.51 -2.71 117.51 114.72 2k3i h ILE 92 Ca 0.03 -1.92 -0.05 0.00 -0.00 0.00 0.00 64.86 62.92 2k3i h ILE 92 Cb 0.86 2.04 -0.02 0.00 -0.00 0.00 0.00 36.82 39.70 2k3i h ILE 92 CO 0.07 0.55 0.12 0.15 -0.00 0.00 0.00 178.15 179.04 2k3i h PHE 93 N 0.00 0.82 -0.66 0.16 3.57 -1.09 0.12 116.94 119.86 2k3i h PHE 93 Ca -0.01 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.48 2k3i h PHE 93 Cb 1.00 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 2k3i h PHE 93 CO 0.00 0.74 0.32 0.93 -2.23 0.00 0.00 178.31 178.06 2k3i h GLU 94 N 0.67 0.54 -0.08 1.11 4.39 -1.05 -0.07 114.58 120.10 2k3i h GLU 94 Ca 0.16 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 2k3i h GLU 94 Cb 0.32 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k3i h GLU 94 CO 0.00 0.36 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.03 2k3i h LEU 95 N 0.55 0.23 -1.07 1.33 3.38 -1.24 -3.15 115.31 115.35 2k3i h LEU 95 Ca 0.32 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.90 2k3i h LEU 95 Cb 0.33 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2k3i h LEU 95 CO -0.26 0.70 0.62 0.28 0.09 0.00 0.00 178.44 179.87 2k3i h SER 96 N -0.24 0.86 0.02 -0.43 0.02 -0.60 -0.29 113.55 112.90 2k3i h SER 96 Ca 0.01 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2k3i h SER 96 Cb 0.64 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2k3i h SER 96 CO 0.02 0.45 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.99 2k3i h LEU 97 N 0.92 -0.30 -0.24 5.07 3.38 -0.99 -2.44 115.31 120.71 2k3i h LEU 97 Ca 0.49 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.31 2k3i h LEU 97 Cb 0.55 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2k3i h LEU 97 CO -0.26 -0.15 -0.89 0.03 0.09 0.00 0.00 178.44 177.26 2k3i h ARG 98 N -0.19 0.06 -0.00 1.13 -0.00 -1.38 -2.12 114.38 111.88 2k3i h ARG 98 Ca 0.03 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2k3i h ARG 98 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.22 2k3i h ARG 98 CO -0.09 0.91 -0.01 0.43 0.00 0.00 0.00 179.97 181.21 2k3i n SER 99 N -3.54 0.47 0.02 7.04 7.64 -0.17 -3.20 113.62 121.88 2k3i n SER 99 Ca -0.02 -1.11 -0.02 0.00 1.01 0.00 0.00 58.87 58.73 2k3i n SER 99 Cb 0.84 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.66 1.26 -1.91 -3.43 7.94 -0.92 -4.78 117.00 114.49 2k3i n LEU 100 Ca 0.22 0.18 -0.10 0.00 -1.11 0.00 0.00 56.01 55.19 2k3i n LEU 100 Cb 0.19 -0.42 0.23 0.00 0.53 0.00 0.00 43.42 43.95 2k3i n LEU 100 CO 0.18 -0.61 1.02 0.00 -1.11 0.00 0.00 177.39 176.87 2k3i n ALA 101 N -3.69 4.59 -0.36 1.96 0.00 -0.81 -4.51 120.51 117.69 2k3i n ALA 101 Ca -0.04 -2.14 0.04 0.00 0.00 0.00 0.00 53.44 51.30 2k3i n ALA 101 Cb 0.14 -1.28 0.19 0.00 0.00 0.00 0.00 19.45 18.50 2k3i n ALA 101 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3i h LEU 102 N 1.91 0.95 0.00 0.00 8.10 -1.73 -3.48 115.31 121.06 2k3i h LEU 102 Ca 0.34 0.03 0.17 0.00 0.11 0.00 0.00 57.88 58.53 2k3i h LEU 102 Cb 2.28 -0.17 -0.04 0.00 -0.44 0.00 0.00 40.66 42.29 2k3i h LEU 102 CO 0.74 0.57 -0.23 1.21 -4.11 0.00 0.00 178.44 176.62 2k3i n GLU 103 N -4.57 -1.27 0.00 0.17 0.00 -1.26 -4.76 120.64 108.94 2k3i n GLU 103 Ca 0.16 0.84 0.00 0.00 0.00 0.00 0.00 57.16 58.16 2k3i n GLU 103 Cb 0.25 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.15 2k3i n GLU 103 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k3i n HIS 104 N -2.91 0.00 0.00 4.31 8.25 -1.26 -2.80 115.22 120.81 2k3i n HIS 104 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k3i n HIS 104 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2k3i n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3i n HIS 105 N 0.00 0.00 -3.78 4.41 -0.00 -1.26 -5.15 115.22 109.44 2k3i n HIS 105 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2k3i n HIS 105 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2k3i n HIS 105 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k3i s HIS 106 N 0.00 -0.04 -0.09 1.57 -3.43 -1.12 -5.16 115.29 107.02 2k3i s HIS 106 Ca 0.00 -0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.04 2k3i s HIS 106 Cb 0.00 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 2k3i s HIS 106 CO 0.00 -0.69 -0.15 -3.38 -2.00 0.00 0.00 174.74 168.52 2k3i s HIS 107 N -2.67 2.73 -0.00 0.38 -3.43 -1.26 -4.68 115.29 106.36 2k3i s HIS 107 Ca 0.17 -0.47 -0.16 0.00 -0.80 0.00 0.00 55.06 53.80 2k3i s HIS 107 Cb -0.00 -1.74 -0.34 0.00 -1.43 0.00 0.00 32.58 29.07 2k3i s HIS 107 CO 0.02 -0.06 0.90 1.25 -2.00 0.00 0.00 174.74 174.84 2k3i h HIS 108 N 6.13 0.86 0.00 0.38 6.17 -1.97 -3.53 115.15 123.20 2k3i h HIS 108 Ca -0.34 -0.63 0.00 0.00 0.71 0.00 0.00 60.37 60.11 2k3i h HIS 108 Cb 1.19 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2k3i h HIS 108 CO 0.49 1.56 0.00 -2.39 0.71 0.00 0.00 177.93 178.30