#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 2.73 -0.73 3.04 0.00 -1.26 -5.02 121.76 120.52 2k3i s ALA 2 Ca 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 51.96 50.08 2k3i s ALA 2 Cb 0.00 -1.81 0.19 0.00 0.00 0.00 0.00 23.12 21.50 2k3i s ALA 2 CO 0.00 -1.33 0.58 -1.33 0.00 0.00 0.00 175.76 173.68 2k3i n MET 3 N 4.48 2.07 -3.96 0.00 0.00 -1.26 -5.02 117.12 113.43 2k3i n MET 3 Ca -0.11 -4.52 -0.31 0.00 0.00 0.00 0.00 57.70 52.76 2k3i n MET 3 Cb 0.42 -2.30 -0.15 0.00 0.00 0.00 0.00 33.22 31.19 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 -1.63 1.33 -0.37 0.03 1.02 -1.26 -5.06 119.74 113.81 2k3i s LYS 4 Ca 0.27 -1.71 -0.01 0.00 0.02 0.00 0.00 55.97 54.54 2k3i s LYS 4 Cb -0.02 -2.96 0.10 0.00 -0.52 0.00 0.00 37.83 34.43 2k3i s LYS 4 CO -0.14 -0.95 0.13 0.34 -0.92 0.00 0.00 175.35 173.82 2k3i s ASP 5 N 1.05 5.08 -0.15 2.83 2.15 -1.26 -5.08 116.67 121.29 2k3i s ASP 5 Ca 0.11 -1.91 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2k3i s ASP 5 Cb -0.19 -1.76 -0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2k3i s ASP 5 CO -0.11 -0.45 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.58 2k3i s VAL 6 N 1.11 2.63 -0.03 1.11 1.01 -1.26 -5.11 120.40 119.86 2k3i s VAL 6 Ca 0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2k3i s VAL 6 Cb -0.21 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k3i s VAL 6 CO -0.04 0.52 0.18 0.54 0.00 0.00 0.00 175.10 176.29 2k3i s VAL 7 N 0.77 0.05 -0.09 2.92 0.11 -1.26 -5.15 120.40 117.75 2k3i s VAL 7 Ca -0.06 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2k3i s VAL 7 Cb -0.15 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2k3i s VAL 7 CO 0.00 -0.21 0.09 -0.62 -3.33 0.00 0.00 175.10 171.03 2k3i s ASP 8 N -0.76 1.45 -0.13 3.54 2.15 -1.26 -5.12 116.67 116.54 2k3i s ASP 8 Ca -0.09 -0.10 -0.04 0.00 0.43 0.00 0.00 52.55 52.75 2k3i s ASP 8 Cb -0.05 -0.10 0.06 0.00 -0.30 0.00 0.00 42.92 42.53 2k3i s ASP 8 CO 0.01 -0.28 0.22 -0.75 -0.17 0.00 0.00 175.17 174.20 2k3i s LYS 9 N 2.18 0.11 -0.34 4.34 2.20 -1.26 -5.10 119.74 121.88 2k3i s LYS 9 Ca 0.04 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 2k3i s LYS 9 Cb -0.13 -0.34 0.15 0.00 -1.51 0.00 0.00 37.83 36.00 2k3i s LYS 9 CO -0.05 -0.36 0.37 0.00 -0.36 0.00 0.00 175.35 174.95 2k3i s SER 11 N 1.86 -0.65 -0.28 0.00 1.04 -1.26 -5.15 113.70 109.26 2k3i s SER 11 Ca 0.14 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 2k3i s SER 11 Cb -0.14 1.42 0.15 0.00 0.10 0.00 0.00 66.02 67.56 2k3i s SER 11 CO -0.15 -0.12 0.57 -0.89 0.98 0.00 0.00 173.24 173.63 2k3i s THR 12 N 2.93 -0.92 -0.14 2.02 2.01 -1.26 -5.16 115.64 115.12 2k3i s THR 12 Ca 0.22 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2k3i s THR 12 Cb -0.04 -0.94 0.11 0.00 0.01 0.00 0.00 72.50 71.64 2k3i s THR 12 CO -0.23 -0.01 0.92 -1.59 -0.69 0.00 0.00 174.62 173.03 2k3i s LYS 13 N 2.81 0.70 0.00 4.92 -2.85 -1.26 -5.05 119.74 119.01 2k3i s LYS 13 Ca 0.08 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 2k3i s LYS 13 Cb -0.14 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2k3i s LYS 13 CO -0.19 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.46 2k3i n GLY 14 N 0.89 0.91 2.87 0.59 0.00 -1.26 -5.11 105.19 104.09 2k3i n GLY 14 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 4.17 2.34 -0.13 0.00 0.00 -1.26 -4.84 120.51 120.80 2k3i n ALA 16 Ca 0.03 -1.53 0.10 0.00 0.00 0.00 0.00 53.44 52.03 2k3i n ALA 16 Cb 0.39 -0.56 0.24 0.00 0.00 0.00 0.00 19.45 19.52 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 0.23 0.84 -3.01 0.00 -6.64 -1.26 -4.93 119.36 104.60 2k3i n ILE 17 Ca 0.00 -0.92 -0.42 0.00 -1.77 0.00 0.00 62.75 59.64 2k3i n ILE 17 Cb 0.90 0.64 -0.06 0.00 -1.44 0.00 0.00 39.64 39.68 2k3i n ILE 17 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2k3i s ASP 18 N -1.10 6.57 0.07 7.28 2.15 -1.26 -4.89 116.67 125.50 2k3i s ASP 18 Ca 0.37 0.49 0.17 0.00 0.43 0.00 0.00 52.55 54.01 2k3i s ASP 18 Cb 0.20 -2.38 -0.13 0.00 -0.30 0.00 0.00 42.92 40.31 2k3i s ASP 18 CO 0.27 -0.59 0.84 0.40 -0.17 0.00 0.00 175.17 175.91 2k3i h ILE 19 N 5.62 0.51 -1.29 4.11 1.08 -1.94 -3.49 117.51 122.11 2k3i h ILE 19 Ca -0.25 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 2k3i h ILE 19 Cb 1.10 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2k3i h ILE 19 CO 0.86 0.29 0.00 0.61 -0.69 0.00 0.00 178.15 179.22 2k3i n GLY 20 N 1.39 0.70 2.71 5.37 0.00 -1.26 -5.08 105.19 109.02 2k3i n GLY 20 Ca -0.09 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.78 -0.01 -0.18 2.61 2.01 -1.26 -5.13 115.64 110.90 2k3i s THR 21 Ca 0.00 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 2k3i s THR 21 Cb 0.00 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.35 2k3i s THR 21 CO 0.00 0.18 0.48 0.54 -0.69 0.00 0.00 174.62 175.13 2k3i s VAL 22 N 1.96 -0.00 0.00 3.82 0.11 -1.26 -5.02 120.40 120.00 2k3i s VAL 22 Ca 0.03 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2k3i s VAL 22 Cb -0.12 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2k3i s VAL 22 CO -0.03 0.01 0.00 -0.38 -3.33 0.00 0.00 175.10 171.36 2k3i n ILE 23 N 3.14 0.00 0.00 7.04 -0.00 -1.26 -5.13 119.36 123.15 2k3i n ILE 23 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 2k3i n ILE 23 Cb 0.57 -0.07 0.00 0.00 -0.00 0.00 0.00 39.64 40.14 2k3i n ILE 23 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2k3i n ASP 24 N 0.00 0.00 -3.76 4.38 8.00 -1.26 -5.14 116.55 118.77 2k3i n ASP 24 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2k3i n ASP 24 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2k3i n ASP 24 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2k3i s ASN 25 N 1.54 0.07 0.00 -2.24 -0.87 -1.26 -5.15 114.94 107.04 2k3i s ASN 25 Ca 0.00 0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 2k3i s ASN 25 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 2k3i s ASN 25 CO 0.00 -0.14 0.00 -0.67 -2.57 0.00 0.00 177.10 173.72 2k3i n ASP 26 N 4.26 1.62 -0.12 -1.22 2.03 -1.26 -5.08 116.55 116.77 2k3i n ASP 26 Ca -0.26 -0.35 -0.26 0.00 0.52 0.00 0.00 54.79 54.44 2k3i n ASP 26 Cb 0.50 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.80 2k3i n ASP 26 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k3i n ASN 27 N -0.48 1.94 0.00 1.67 6.94 -1.26 -4.97 115.26 119.10 2k3i n ASN 27 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.89 2k3i n ASN 27 Cb 0.00 -0.84 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k3i s THR 29 N 0.00 2.72 -0.26 0.00 2.01 -1.26 -0.52 115.64 118.34 2k3i s THR 29 Ca 0.00 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2k3i s THR 29 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2k3i s THR 29 CO 0.00 0.50 0.30 -0.55 -0.69 0.00 0.00 174.62 174.18 2k3i s SER 30 N 1.06 6.21 0.12 3.53 0.15 0.78 -4.88 113.70 120.66 2k3i s SER 30 Ca -0.01 0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.93 2k3i s SER 30 Cb -0.15 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 2k3i s SER 30 CO -0.03 -0.09 0.01 -0.54 1.20 0.00 0.00 173.24 173.78 2k3i s LYS 31 N 1.69 2.52 -0.29 5.44 3.01 -1.26 -0.51 119.74 130.34 2k3i s LYS 31 Ca 0.12 -0.92 -0.13 0.00 -1.01 0.00 0.00 55.97 54.04 2k3i s LYS 31 Cb -0.15 -2.49 0.12 0.00 -1.01 0.00 0.00 37.83 34.30 2k3i s LYS 31 CO 0.09 0.51 0.72 0.12 0.51 0.00 0.00 175.35 177.30 2k3i s PHE 32 N -1.46 -1.14 -0.23 3.18 5.36 -0.13 -5.00 117.98 118.56 2k3i s PHE 32 Ca 0.27 2.07 -0.02 0.00 -0.96 0.00 0.00 56.93 58.29 2k3i s PHE 32 Cb -0.11 0.69 0.07 0.00 -0.34 0.00 0.00 43.02 43.33 2k3i s PHE 32 CO 0.19 -0.57 0.05 -1.12 -1.46 0.00 0.00 175.22 172.31 2k3i s SER 33 N 2.39 3.30 -0.01 6.13 0.01 -1.25 -0.75 113.70 123.52 2k3i s SER 33 Ca -0.07 -1.08 0.05 0.00 1.31 0.00 0.00 55.95 56.16 2k3i s SER 33 Cb -0.09 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 2k3i s SER 33 CO -0.19 -0.33 -0.14 -0.60 0.41 0.00 0.00 173.24 172.39 2k3i s ARG 34 N 1.77 2.38 -0.06 12.44 3.52 -0.91 -4.89 118.95 133.21 2k3i s ARG 34 Ca 0.02 -0.79 -0.19 0.00 -0.13 0.00 0.00 55.73 54.63 2k3i s ARG 34 Cb -0.17 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 2k3i s ARG 34 CO -0.13 0.59 0.54 -0.06 -0.81 0.00 0.00 175.30 175.43 2k3i s PHE 35 N -0.85 3.61 0.25 5.12 0.08 -1.26 -1.03 117.98 123.89 2k3i s PHE 35 Ca 0.14 1.06 0.12 0.00 0.12 0.00 0.00 56.93 58.37 2k3i s PHE 35 Cb -0.11 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.72 2k3i s PHE 35 CO 0.04 0.27 -0.20 -0.06 -0.10 0.00 0.00 175.22 175.17 2k3i s PHE 36 N 0.17 2.33 0.19 0.36 0.08 0.55 -4.92 117.98 116.73 2k3i s PHE 36 Ca 0.29 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 2k3i s PHE 36 Cb -0.17 -1.06 0.10 0.00 -0.57 0.00 0.00 43.02 41.33 2k3i s PHE 36 CO 0.14 0.64 1.81 0.00 -0.10 0.00 0.00 175.22 177.72 2k3i h ALA 37 N 2.56 0.82 -2.23 5.36 0.00 -1.87 -0.32 119.26 123.57 2k3i h ALA 37 Ca -0.42 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 2k3i h ALA 37 Cb 1.24 -0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 2k3i h ALA 37 CO 0.56 0.32 -0.70 0.95 0.00 0.00 0.00 179.25 180.38 2k3i s THR 38 N -5.92 0.91 0.48 0.00 -4.23 -1.26 -4.13 115.64 101.49 2k3i s THR 38 Ca -0.13 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.53 2k3i s THR 38 Cb 0.14 -1.82 0.22 0.00 1.34 0.00 0.00 72.50 72.37 2k3i s THR 38 CO 0.78 -0.76 2.06 -0.09 -0.54 0.00 0.00 174.62 176.07 2k3i h ARG 39 N 2.84 0.02 -0.24 3.99 2.43 -1.91 -1.73 114.38 119.78 2k3i h ARG 39 Ca -0.36 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2k3i h ARG 39 Cb 1.18 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2k3i h ARG 39 CO 0.64 0.11 -0.04 0.93 -1.51 0.00 0.00 179.97 180.09 2k3i h GLU 40 N 0.02 0.02 -0.52 0.20 5.08 -1.98 0.15 114.58 117.55 2k3i h GLU 40 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2k3i h GLU 40 Cb 0.17 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2k3i h GLU 40 CO 0.01 0.01 0.35 0.93 -1.00 0.00 0.00 179.01 179.31 2k3i h GLU 41 N 0.02 0.28 0.04 2.33 4.39 -1.73 0.47 114.58 120.39 2k3i h GLU 41 Ca 0.11 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2k3i h GLU 41 Cb 0.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k3i h GLU 41 CO -0.23 0.19 -0.02 0.00 -1.16 0.00 0.00 179.01 177.79 2k3i h ALA 42 N 1.74 -0.06 -0.31 3.43 0.00 -0.93 -3.11 119.26 120.02 2k3i h ALA 42 Ca 0.24 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k3i h ALA 42 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2k3i h ALA 42 CO -0.05 -0.13 -0.02 0.93 0.00 0.00 0.00 179.25 179.98 2k3i h GLU 43 N -0.86 0.49 0.00 0.00 5.08 -0.44 -1.70 114.58 117.14 2k3i h GLU 43 Ca -0.01 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2k3i h GLU 43 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2k3i h GLU 43 CO 0.01 0.53 -0.25 1.03 -1.00 0.00 0.00 179.01 179.33 2k3i h SER 44 N 0.47 0.00 0.01 1.42 0.87 -1.01 -2.69 113.55 112.62 2k3i h SER 44 Ca 0.10 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.47 2k3i h SER 44 Cb 0.34 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2k3i h SER 44 CO 0.01 0.25 -0.76 0.15 -0.53 0.00 0.00 176.83 175.95 2k3i h PHE 45 N 0.00 0.75 0.00 2.24 3.57 -1.25 -3.20 116.94 119.05 2k3i h PHE 45 Ca -0.00 -0.41 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k3i h PHE 45 Cb 0.47 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 2k3i h PHE 45 CO 0.00 1.24 -0.07 1.98 -2.23 0.00 0.00 178.31 179.24 2k3i h MET 46 N 0.04 0.00 -0.28 1.11 4.05 -1.24 -2.78 114.93 115.84 2k3i h MET 46 Ca -0.10 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.38 2k3i h MET 46 Cb 1.46 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.20 2k3i h MET 46 CO 0.15 0.07 -0.09 1.15 0.23 0.00 0.00 176.91 178.42 2k3i h THR 47 N 0.00 0.68 0.00 -0.77 2.02 -1.47 -1.76 112.91 111.60 2k3i h THR 47 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2k3i h THR 47 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2k3i h THR 47 CO 0.01 0.00 -0.55 0.07 0.37 0.00 0.00 175.52 175.42 2k3i h LYS 48 N -0.03 0.00 -0.02 6.66 2.10 -1.65 -2.74 116.57 120.89 2k3i h LYS 48 Ca 0.14 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.75 2k3i h LYS 48 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2k3i h LYS 48 CO -0.30 0.55 -0.17 -0.07 -2.00 0.00 0.00 179.45 177.45 2k3i h LEU 49 N 0.00 0.03 -0.96 7.07 -0.00 -1.35 -0.78 115.31 119.32 2k3i h LEU 49 Ca -0.01 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 2k3i h LEU 49 Cb 1.13 -0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.71 2k3i h LEU 49 CO 0.07 0.20 0.61 0.11 -0.00 0.00 0.00 178.44 179.43 2k3i h LYS 50 N 0.03 1.03 0.03 1.13 6.56 -1.02 0.06 116.57 124.39 2k3i h LYS 50 Ca 0.00 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2k3i h LYS 50 Cb 0.32 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2k3i h LYS 50 CO 0.02 0.68 -0.01 0.93 -2.06 0.00 0.00 179.45 179.01 2k3i h GLU 51 N 1.06 -0.04 -0.76 3.15 5.08 -1.41 -3.32 114.58 118.34 2k3i h GLU 51 Ca 0.44 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.84 2k3i h GLU 51 Cb 0.27 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2k3i h GLU 51 CO -0.20 0.65 0.47 -0.07 -1.00 0.00 0.00 179.01 178.86 2k3i h LEU 52 N -0.80 0.75 -0.99 1.33 3.38 -0.95 -1.95 115.31 116.08 2k3i h LEU 52 Ca -0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2k3i h LEU 52 Cb 0.70 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2k3i h LEU 52 CO 0.01 0.50 0.65 0.00 0.09 0.00 0.00 178.44 179.69 2k3i h ALA 53 N 1.35 1.28 0.00 1.53 0.00 -1.13 0.58 119.26 122.87 2k3i h ALA 53 Ca 0.32 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2k3i h ALA 53 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2k3i h ALA 53 CO -0.14 0.60 -0.81 0.00 0.00 0.00 0.00 179.25 178.90 2k3i h ALA 54 N 1.38 0.66 0.10 0.00 0.00 -1.51 -1.80 119.26 118.09 2k3i h ALA 54 Ca 0.38 -0.73 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 2k3i h ALA 54 Cb -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2k3i h ALA 54 CO -0.10 1.00 -1.19 0.00 0.00 0.00 0.00 179.25 178.96 2k3i h ALA 55 N 1.18 0.15 0.19 0.00 0.00 -0.86 -3.35 119.26 116.57 2k3i h ALA 55 Ca -0.01 -0.89 -0.27 0.00 0.00 0.00 0.00 54.91 53.74 2k3i h ALA 55 Cb 1.43 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.22 2k3i h ALA 55 CO 0.11 1.03 -1.19 0.00 0.00 0.00 0.00 179.25 179.20 2k3i h ALA 56 N 0.67 -0.09 -2.60 0.00 0.00 -0.92 -3.45 119.26 112.86 2k3i h ALA 56 Ca -0.11 -0.82 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 2k3i h ALA 56 Cb 1.93 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.84 2k3i h ALA 56 CO 0.19 0.58 0.16 0.45 0.00 0.00 0.00 179.25 180.63 2k3i s SER 57 N -7.26 6.95 0.00 0.00 0.15 -0.68 -4.88 113.70 107.98 2k3i s SER 57 Ca -0.12 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2k3i s SER 57 Cb 0.03 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2k3i s SER 57 CO 0.88 -0.20 0.77 -1.20 1.20 0.00 0.00 173.24 174.69 2k3i n SER 58 N 4.26 0.26 -1.13 5.45 7.64 -1.26 -3.70 113.62 125.14 2k3i n SER 58 Ca 0.00 -1.80 0.03 0.00 1.01 0.00 0.00 58.87 58.12 2k3i n SER 58 Cb 0.51 -0.13 0.19 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.34 3.11 0.00 -0.43 0.00 -1.26 -4.94 120.51 116.65 2k3i n ALA 59 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2k3i n ALA 59 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.31 0.00 -1.84 0.00 8.00 -1.24 -4.23 116.55 117.55 2k3i n ASP 60 Ca 0.13 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 2k3i n ASP 60 Cb 0.67 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.88 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k3i n GLU 61 N 0.00 1.86 0.00 -1.24 1.02 -1.26 -4.83 120.64 116.19 2k3i n GLU 61 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 2k3i n GLU 61 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2k3i n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3i n GLY 62 N -0.48 0.50 3.36 0.62 0.00 -1.26 -4.84 105.19 103.09 2k3i n GLY 62 Ca 0.39 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 0.71 -0.70 4.61 0.00 -1.26 -4.19 121.76 118.92 2k3i s ALA 63 Ca 0.00 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 2k3i s ALA 63 Cb 0.00 1.27 0.01 0.00 0.00 0.00 0.00 23.12 24.40 2k3i s ALA 63 CO 0.00 -0.70 1.56 -1.12 0.00 0.00 0.00 175.76 175.50 2k3i s SER 64 N -3.13 5.76 -0.26 0.00 0.01 -0.62 -4.81 113.70 110.64 2k3i s SER 64 Ca 0.33 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.37 2k3i s SER 64 Cb 0.04 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.73 2k3i s SER 64 CO 0.13 -2.09 0.01 0.54 0.41 0.00 0.00 173.24 172.24 2k3i s VAL 65 N 7.28 3.52 -0.65 3.43 0.11 -1.25 0.48 120.40 133.32 2k3i s VAL 65 Ca 0.50 -0.74 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 2k3i s VAL 65 Cb -0.10 -2.76 0.13 0.00 -1.53 0.00 0.00 36.38 32.13 2k3i s VAL 65 CO 0.16 0.19 0.70 0.00 -3.33 0.00 0.00 175.10 172.82 2k3i s ALA 66 N 1.44 3.59 0.20 1.54 0.00 -0.66 -4.90 121.76 122.98 2k3i s ALA 66 Ca 0.03 -2.56 0.11 0.00 0.00 0.00 0.00 51.96 49.53 2k3i s ALA 66 Cb -0.16 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2k3i s ALA 66 CO -0.01 -2.31 -0.22 1.52 0.00 0.00 0.00 175.76 174.74 2k3i s TYR 67 N 1.95 2.19 0.06 0.00 1.13 -1.26 -2.75 117.35 118.67 2k3i s TYR 67 Ca 0.12 -0.38 -0.10 0.00 -1.41 0.00 0.00 57.07 55.30 2k3i s TYR 67 Cb -0.21 -1.06 0.01 0.00 -1.10 0.00 0.00 41.96 39.59 2k3i s TYR 67 CO 0.01 0.49 0.22 -1.59 -2.51 0.00 0.00 175.55 172.18 2k3i s LYS 68 N -2.83 0.79 -0.29 -3.49 -2.85 0.46 -4.99 119.74 106.54 2k3i s LYS 68 Ca 0.21 -0.73 0.03 0.00 -1.00 0.00 0.00 55.97 54.48 2k3i s LYS 68 Cb -0.07 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 2k3i s LYS 68 CO 0.10 -0.25 -0.02 0.42 0.10 0.00 0.00 175.35 175.70 2k3i s ILE 69 N -3.10 2.03 -0.23 3.79 1.01 -1.26 -1.08 121.20 122.36 2k3i s ILE 69 Ca -0.01 -1.87 -0.06 0.00 0.00 0.00 0.00 60.65 58.71 2k3i s ILE 69 Cb 0.01 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 2k3i s ILE 69 CO -0.07 -0.34 0.03 -0.75 0.00 0.00 0.00 174.94 173.82 2k3i s LYS 70 N 1.09 3.61 -0.04 2.79 2.20 -0.32 -4.97 119.74 124.10 2k3i s LYS 70 Ca 0.02 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 2k3i s LYS 70 Cb -0.19 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2k3i s LYS 70 CO -0.08 -0.11 1.08 -0.51 -0.36 0.00 0.00 175.35 175.38 2k3i s ASP 71 N 1.34 7.20 0.40 1.43 1.11 -1.26 -0.83 116.67 126.06 2k3i s ASP 71 Ca 0.05 1.72 0.01 0.00 0.18 0.00 0.00 52.55 54.50 2k3i s ASP 71 Cb -0.15 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.28 2k3i s ASP 71 CO 0.02 -0.44 0.02 0.18 1.18 0.00 0.00 175.17 176.13 2k3i n LEU 72 N 4.58 0.00 -4.49 1.23 4.77 0.29 -4.95 117.00 118.44 2k3i n LEU 72 Ca 0.09 -2.61 -0.43 0.00 -0.03 0.00 0.00 56.01 53.03 2k3i n LEU 72 Cb 0.48 0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 2k3i n LEU 72 CO 0.53 -0.38 0.77 -0.70 -1.33 0.00 0.00 177.39 176.29 2k3i s GLU 73 N -3.46 3.21 0.00 3.23 2.12 -1.26 -3.71 118.70 118.83 2k3i s GLU 73 Ca 0.03 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2k3i s GLU 73 Cb 0.00 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.25 2k3i s GLU 73 CO 0.02 -1.68 0.00 0.41 -0.54 0.00 0.00 175.26 173.47 2k3i n GLY 74 N 5.23 0.82 3.84 -1.50 0.00 -1.26 -4.98 105.19 107.34 2k3i n GLY 74 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 1.70 0.03 1.61 -2.07 -1.24 -4.77 119.66 114.26 2k3i s GLN 75 Ca 0.00 -1.08 -0.01 0.00 -1.82 0.00 0.00 55.36 52.45 2k3i s GLN 75 Cb 0.00 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.38 2k3i s GLN 75 CO 0.00 -0.79 -0.01 0.14 -1.32 0.00 0.00 175.29 173.31 2k3i s VAL 76 N -2.37 0.15 -0.18 3.63 -7.23 -0.13 -0.55 120.40 113.72 2k3i s VAL 76 Ca 0.18 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2k3i s VAL 76 Cb -0.04 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 2k3i s VAL 76 CO 0.08 -0.67 -0.02 -1.83 -0.31 0.00 0.00 175.10 172.35 2k3i s GLU 77 N -2.38 3.62 -0.41 4.82 -1.05 -0.01 -0.33 118.70 122.95 2k3i s GLU 77 Ca -0.07 -0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 54.05 2k3i s GLU 77 Cb -0.03 -2.99 0.02 0.00 -0.44 0.00 0.00 34.13 30.68 2k3i s GLU 77 CO -0.04 0.10 0.39 -1.17 0.95 0.00 0.00 175.26 175.49 2k3i s LEU 78 N 0.75 4.89 -0.19 1.83 1.98 -0.20 -1.18 118.68 126.56 2k3i s LEU 78 Ca -0.01 -0.69 -0.05 0.00 -2.89 0.00 0.00 54.13 50.49 2k3i s LEU 78 Cb -0.14 -2.32 -0.03 0.00 0.66 0.00 0.00 46.19 44.36 2k3i s LEU 78 CO 0.02 -0.52 0.01 -0.62 -1.89 0.00 0.00 176.35 173.35 2k3i s ASP 79 N 1.77 5.00 -0.01 3.68 2.15 -0.24 -2.14 116.67 126.87 2k3i s ASP 79 Ca 0.10 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2k3i s ASP 79 Cb -0.17 -1.85 0.01 0.00 -0.30 0.00 0.00 42.92 40.61 2k3i s ASP 79 CO 0.12 0.10 0.00 0.00 -0.17 0.00 0.00 175.17 175.23 2k3i s ALA 80 N 0.77 0.13 -0.30 3.66 0.00 0.07 -0.40 121.76 125.69 2k3i s ALA 80 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2k3i s ALA 80 Cb -0.14 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 22.95 2k3i s ALA 80 CO 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 175.76 175.86 2k3i s ALA 81 N 0.43 1.28 -0.39 0.00 0.00 -1.11 -0.96 121.76 121.01 2k3i s ALA 81 Ca -0.04 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 2k3i s ALA 81 Cb -0.06 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2k3i s ALA 81 CO -0.01 -1.63 0.55 -0.06 0.00 0.00 0.00 175.76 174.60 2k3i s PHE 82 N 1.75 3.14 -0.45 0.00 0.40 0.33 -1.66 117.98 121.50 2k3i s PHE 82 Ca 0.09 0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.26 2k3i s PHE 82 Cb -0.17 -3.06 0.03 0.00 0.51 0.00 0.00 43.02 40.33 2k3i s PHE 82 CO -0.27 -0.67 0.54 0.99 0.70 0.00 0.00 175.22 176.51 2k3i s THR 83 N 2.50 4.96 0.59 0.64 2.01 0.18 -0.16 115.64 126.36 2k3i s THR 83 Ca 0.19 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2k3i s THR 83 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.24 2k3i s THR 83 CO 0.15 -0.56 0.85 -0.36 -0.69 0.00 0.00 174.62 174.01 2k3i s PHE 84 N 2.44 2.98 -0.11 4.92 0.08 0.33 -1.59 117.98 127.03 2k3i s PHE 84 Ca 0.16 0.25 0.21 0.00 0.12 0.00 0.00 56.93 57.67 2k3i s PHE 84 Cb -0.17 -2.83 0.49 0.00 -0.57 0.00 0.00 43.02 39.94 2k3i s PHE 84 CO 0.15 -0.96 1.64 0.66 -0.10 0.00 0.00 175.22 176.60 2k3i h SER 85 N -0.13 0.00 -5.09 1.36 4.64 -1.92 -3.46 113.55 108.96 2k3i h SER 85 Ca -0.44 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.74 2k3i h SER 85 Cb 1.29 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.20 2k3i h SER 85 CO 0.57 0.27 -0.67 0.00 -0.87 0.00 0.00 176.83 176.12 2k3i h GLN 87 N 3.98 0.30 -1.00 0.00 4.15 -1.88 -2.81 115.11 117.85 2k3i h GLN 87 Ca -0.33 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.03 2k3i h GLN 87 Cb 1.18 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 2k3i h GLN 87 CO 0.51 0.66 0.64 0.00 -1.93 0.00 0.00 178.83 178.72 2k3i h ALA 88 N 1.32 1.42 -0.23 3.38 0.00 -1.98 0.03 119.26 123.21 2k3i h ALA 88 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k3i h ALA 88 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k3i h ALA 88 CO 0.07 0.38 0.01 0.93 0.00 0.00 0.00 179.25 180.63 2k3i h GLU 89 N 1.12 0.34 0.11 0.00 4.39 -1.84 -1.19 114.58 117.51 2k3i h GLU 89 Ca 0.45 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2k3i h GLU 89 Cb 0.26 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k3i h GLU 89 CO -0.20 0.36 -0.05 1.98 -1.16 0.00 0.00 179.01 179.94 2k3i h MET 90 N 0.33 -0.14 -0.48 2.33 4.05 -1.00 -2.63 114.93 117.39 2k3i h MET 90 Ca 0.08 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.37 2k3i h MET 90 Cb 0.22 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2k3i h MET 90 CO 0.00 0.28 -0.22 -0.84 0.23 0.00 0.00 176.91 176.37 2k3i h ILE 91 N -0.61 1.27 -0.04 1.77 3.07 -1.16 -2.20 117.51 119.60 2k3i h ILE 91 Ca -0.01 -1.39 -0.05 0.00 1.55 0.00 0.00 64.86 64.96 2k3i h ILE 91 Cb 0.48 1.13 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 2k3i h ILE 91 CO 0.02 0.48 -0.20 0.16 -1.05 0.00 0.00 178.15 177.56 2k3i h ILE 92 N 0.85 1.17 0.11 0.16 -0.00 -1.31 0.06 117.51 118.55 2k3i h ILE 92 Ca 0.11 -0.79 -0.01 0.00 -0.00 0.00 0.00 64.86 64.18 2k3i h ILE 92 Cb 0.80 1.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.99 2k3i h ILE 92 CO 0.07 0.23 -0.05 0.15 -0.00 0.00 0.00 178.15 178.55 2k3i h PHE 93 N 0.06 -0.14 0.00 0.16 3.57 -1.06 -2.22 116.94 117.32 2k3i h PHE 93 Ca 0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2k3i h PHE 93 Cb 0.40 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2k3i h PHE 93 CO 0.00 0.15 -0.51 1.05 -2.23 0.00 0.00 178.31 176.77 2k3i h GLU 94 N -0.42 0.00 0.10 1.11 4.11 -1.16 -1.79 114.58 116.53 2k3i h GLU 94 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2k3i h GLU 94 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k3i h GLU 94 CO 0.02 0.51 -0.05 -0.07 0.07 0.00 0.00 179.01 179.50 2k3i h LEU 95 N 0.00 -0.12 -0.92 3.06 3.38 -0.96 -1.36 115.31 118.39 2k3i h LEU 95 Ca -0.01 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k3i h LEU 95 Cb 1.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2k3i h LEU 95 CO 0.07 0.07 0.59 0.28 0.09 0.00 0.00 178.44 179.54 2k3i h SER 96 N -0.30 0.98 -0.19 -0.43 0.02 -1.27 0.15 113.55 112.50 2k3i h SER 96 Ca -0.01 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2k3i h SER 96 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2k3i h SER 96 CO 0.02 0.66 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.30 2k3i h LEU 97 N 1.14 -0.08 -0.86 5.07 3.38 -1.16 -1.06 115.31 121.74 2k3i h LEU 97 Ca 0.37 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 2k3i h LEU 97 Cb 0.03 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2k3i h LEU 97 CO -0.13 -0.02 -0.53 0.03 0.09 0.00 0.00 178.44 177.89 2k3i h ARG 98 N 0.06 0.11 -0.02 1.13 3.08 -0.81 0.12 114.38 118.05 2k3i h ARG 98 Ca 0.09 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2k3i h ARG 98 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2k3i h ARG 98 CO -0.16 0.62 -0.31 1.03 -1.07 0.00 0.00 179.97 180.08 2k3i h SER 99 N 0.09 0.04 0.01 7.04 0.87 -0.20 -1.92 113.55 119.47 2k3i h SER 99 Ca -0.00 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 2k3i h SER 99 Cb 0.96 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2k3i h SER 99 CO 0.07 0.35 -0.85 0.25 -0.53 0.00 0.00 176.83 176.12 2k3i h LEU 100 N 0.03 0.03 -2.30 2.23 6.46 -0.84 -3.36 115.31 117.57 2k3i h LEU 100 Ca 0.00 -0.70 -0.09 0.00 -0.12 0.00 0.00 57.88 56.97 2k3i h LEU 100 Cb 0.57 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 2k3i h LEU 100 CO 0.04 1.34 0.12 0.00 -0.62 0.00 0.00 178.44 179.32 2k3i n ALA 101 N -3.12 3.11 -0.10 1.25 0.00 0.40 -4.44 120.51 117.62 2k3i n ALA 101 Ca -0.24 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2k3i n ALA 101 Cb 0.63 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2k3i n ALA 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3i n LEU 102 N 0.15 0.00 0.00 0.00 4.77 -0.73 -4.78 117.00 116.41 2k3i n LEU 102 Ca 0.12 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 2k3i n LEU 102 Cb 0.71 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2k3i n LEU 102 CO 0.12 -0.45 0.00 -0.62 -1.33 0.00 0.00 177.39 175.11 2k3i n GLU 103 N -2.02 0.00 -3.68 3.23 1.02 -1.26 -4.51 120.64 113.41 2k3i n GLU 103 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2k3i n GLU 103 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2k3i n GLU 103 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2k3i s HIS 104 N 0.00 3.52 -1.04 -0.32 -3.43 -1.26 -5.02 115.29 107.73 2k3i s HIS 104 Ca 0.00 -2.25 -0.23 0.00 -0.80 0.00 0.00 55.06 51.78 2k3i s HIS 104 Cb 0.00 -3.33 -0.01 0.00 -1.43 0.00 0.00 32.58 27.81 2k3i s HIS 104 CO 0.00 -0.97 1.77 -3.38 -2.00 0.00 0.00 174.74 170.16 2k3i s HIS 105 N 1.07 2.17 -0.26 0.38 -3.43 -1.26 -4.89 115.29 109.08 2k3i s HIS 105 Ca 0.08 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.20 2k3i s HIS 105 Cb -0.24 -4.32 0.08 0.00 -1.43 0.00 0.00 32.58 26.67 2k3i s HIS 105 CO -0.03 -1.71 0.07 -1.58 -2.00 0.00 0.00 174.74 169.48 2k3i s HIS 106 N 8.00 1.32 -0.88 0.38 5.04 -1.26 -5.02 115.29 122.87 2k3i s HIS 106 Ca 0.61 -1.28 0.01 0.00 -1.54 0.00 0.00 55.06 52.85 2k3i s HIS 106 Cb -0.02 -1.34 0.29 0.00 0.04 0.00 0.00 32.58 31.56 2k3i s HIS 106 CO 0.00 -0.76 1.24 0.72 -2.34 0.00 0.00 174.74 173.61 2k3i n HIS 107 N 4.96 2.94 -0.99 3.88 8.25 -1.26 -5.02 115.22 127.98 2k3i n HIS 107 Ca -0.06 -3.22 0.13 0.00 -0.26 0.00 0.00 57.72 54.31 2k3i n HIS 107 Cb 0.44 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 2k3i n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k3i n HIS 108 N 0.82 -2.58 -1.72 4.41 8.25 -1.26 -5.29 115.22 117.85 2k3i n HIS 108 Ca 0.31 1.35 0.00 0.00 -0.26 0.00 0.00 57.72 59.12 2k3i n HIS 108 Cb 0.35 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.12 2k3i n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56