#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3i n ALA 2 N 0.00 3.25 -3.66 3.04 0.00 -1.26 -5.05 120.51 116.83 2k3i n ALA 2 Ca 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 53.44 49.32 2k3i n ALA 2 Cb 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2k3i n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3i s MET 3 N -1.66 0.42 0.00 0.00 0.00 -1.26 -5.00 119.30 111.80 2k3i s MET 3 Ca 0.36 1.11 0.00 0.00 0.00 0.00 0.00 55.69 57.17 2k3i s MET 3 Cb 0.13 0.40 0.00 0.00 0.00 0.00 0.00 34.83 35.36 2k3i s MET 3 CO -0.08 -0.22 0.80 0.36 0.00 0.00 0.00 175.02 175.88 2k3i n LYS 4 N 5.19 0.00 -2.17 3.16 2.85 -1.26 -5.14 118.16 120.80 2k3i n LYS 4 Ca -0.12 -0.62 -0.38 0.00 -1.05 0.00 0.00 58.31 56.14 2k3i n LYS 4 Cb 0.51 0.32 -0.01 0.00 -0.65 0.00 0.00 35.03 35.20 2k3i n LYS 4 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2k3i s ASP 5 N -0.62 6.19 -0.04 -5.58 -4.77 -1.26 -5.03 116.67 105.56 2k3i s ASP 5 Ca 0.00 2.45 0.06 0.00 -3.30 0.00 0.00 52.55 51.76 2k3i s ASP 5 Cb 0.00 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.20 2k3i s ASP 5 CO 0.00 -0.91 -0.22 0.54 0.70 0.00 0.00 175.17 175.27 2k3i s VAL 6 N -1.42 1.80 -0.12 2.11 0.11 -1.26 -5.12 120.40 116.51 2k3i s VAL 6 Ca 0.61 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2k3i s VAL 6 Cb -0.33 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 2k3i s VAL 6 CO 0.40 0.51 -0.15 0.54 -3.33 0.00 0.00 175.10 173.07 2k3i s VAL 7 N -0.23 1.50 0.05 2.04 0.11 -1.26 -5.13 120.40 117.48 2k3i s VAL 7 Ca 0.00 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2k3i s VAL 7 Cb -0.11 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 2k3i s VAL 7 CO 0.02 0.44 -0.04 1.51 -3.33 0.00 0.00 175.10 173.70 2k3i s ASP 8 N 1.08 0.60 -0.19 3.54 1.47 -1.26 -5.14 116.67 116.76 2k3i s ASP 8 Ca -0.05 -0.78 -0.05 0.00 1.18 0.00 0.00 52.55 52.86 2k3i s ASP 8 Cb -0.15 0.12 -0.02 0.00 -0.34 0.00 0.00 42.92 42.54 2k3i s ASP 8 CO -0.03 -0.42 -0.01 -0.54 0.68 0.00 0.00 175.17 174.84 2k3i s LYS 9 N -2.81 3.59 -0.36 2.11 3.01 -1.26 -5.04 119.74 118.99 2k3i s LYS 9 Ca -0.02 -0.54 0.04 0.00 -1.01 0.00 0.00 55.97 54.45 2k3i s LYS 9 Cb -0.01 -3.03 0.16 0.00 -1.01 0.00 0.00 37.83 33.94 2k3i s LYS 9 CO -0.05 0.03 0.46 0.00 0.51 0.00 0.00 175.35 176.30 2k3i s SER 11 N 1.86 0.26 -0.12 0.00 0.01 -1.26 -5.12 113.70 109.34 2k3i s SER 11 Ca 0.15 -1.66 -0.05 0.00 1.31 0.00 0.00 55.95 55.69 2k3i s SER 11 Cb -0.11 0.91 0.06 0.00 0.21 0.00 0.00 66.02 67.08 2k3i s SER 11 CO -0.12 -0.20 0.25 0.28 0.41 0.00 0.00 173.24 173.86 2k3i s THR 12 N 1.22 -0.29 0.20 1.44 -1.32 -1.26 -5.15 115.64 110.49 2k3i s THR 12 Ca 0.21 0.25 0.03 0.00 -1.21 0.00 0.00 61.69 60.97 2k3i s THR 12 Cb -0.08 -0.41 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 2k3i s THR 12 CO -0.06 0.10 -0.00 -0.54 -2.21 0.00 0.00 174.62 171.92 2k3i s LYS 13 N 2.06 1.21 0.00 7.08 1.02 -1.26 -5.05 119.74 124.80 2k3i s LYS 13 Ca -0.02 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2k3i s LYS 13 Cb -0.12 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 2k3i s LYS 13 CO -0.08 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 2k3i n GLY 14 N -0.32 0.00 3.48 -3.33 0.00 -1.26 -5.08 105.19 98.68 2k3i n GLY 14 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2k3i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i h ALA 16 N 9.50 0.44 -1.99 0.00 0.00 -2.07 -3.48 119.26 121.67 2k3i h ALA 16 Ca -0.12 -1.29 -0.57 0.00 0.00 0.00 0.00 54.91 52.93 2k3i h ALA 16 Cb 1.05 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 19.17 2k3i h ALA 16 CO 1.21 1.30 -0.68 0.96 0.00 0.00 0.00 179.25 182.04 2k3i s ILE 17 N -2.59 2.02 -0.14 0.00 -5.25 -1.26 -5.14 121.20 108.84 2k3i s ILE 17 Ca -0.12 -2.18 -0.06 0.00 -0.99 0.00 0.00 60.65 57.30 2k3i s ILE 17 Cb 0.07 -2.58 0.06 0.00 2.95 0.00 0.00 42.46 42.96 2k3i s ILE 17 CO 0.82 -0.23 0.30 -0.62 -1.79 0.00 0.00 174.94 173.42 2k3i s ASP 18 N -3.55 -0.02 -0.02 4.36 2.15 -1.26 -5.03 116.67 113.30 2k3i s ASP 18 Ca 0.31 0.68 0.21 0.00 0.43 0.00 0.00 52.55 54.18 2k3i s ASP 18 Cb 0.03 0.74 -0.29 0.00 -0.30 0.00 0.00 42.92 43.10 2k3i s ASP 18 CO 0.15 -0.21 0.63 -0.38 -0.17 0.00 0.00 175.17 175.19 2k3i n ILE 19 N 4.92 0.00 -3.13 4.11 2.08 -1.26 -4.98 119.36 121.10 2k3i n ILE 19 Ca -0.14 -0.30 -0.19 0.00 0.56 0.00 0.00 62.75 62.68 2k3i n ILE 19 Cb 0.51 0.41 0.05 0.00 -0.75 0.00 0.00 39.64 39.86 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 1.37 -0.30 3.51 7.39 0.00 -1.26 -4.90 105.19 111.00 2k3i n GLY 20 Ca -0.01 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.44 3.98 -3.77 2.61 -1.04 -1.26 -4.82 114.28 105.55 2k3i n THR 21 Ca -0.05 -4.17 -0.29 0.00 -2.04 0.00 0.00 64.05 57.50 2k3i n THR 21 Cb 0.58 -2.38 -0.13 0.00 -1.82 0.00 0.00 70.33 66.58 2k3i n THR 21 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2k3i s VAL 22 N 3.69 1.87 -0.18 12.58 -7.23 -1.26 -4.78 120.40 125.09 2k3i s VAL 22 Ca 0.52 -3.10 -0.10 0.00 -1.81 0.00 0.00 61.98 57.49 2k3i s VAL 22 Cb 0.03 -2.28 0.06 0.00 0.56 0.00 0.00 36.38 34.75 2k3i s VAL 22 CO 0.06 -0.93 0.44 -0.51 -0.31 0.00 0.00 175.10 173.85 2k3i s ILE 23 N -0.20 -0.07 -0.28 -0.62 1.10 -1.26 -5.03 121.20 114.84 2k3i s ILE 23 Ca 0.21 0.09 -0.01 0.00 -0.51 0.00 0.00 60.65 60.43 2k3i s ILE 23 Cb -0.18 -0.66 0.00 0.00 0.15 0.00 0.00 42.46 41.77 2k3i s ILE 23 CO -0.05 0.04 0.02 -0.67 -2.11 0.00 0.00 174.94 172.16 2k3i n ASP 24 N 4.35 -7.46 -3.43 4.50 2.03 -1.26 -5.08 116.55 110.19 2k3i n ASP 24 Ca -0.22 1.28 -0.13 0.00 0.52 0.00 0.00 54.79 56.24 2k3i n ASP 24 Cb 0.55 -4.93 -0.03 0.00 -0.72 0.00 0.00 41.12 35.99 2k3i n ASP 24 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k3i s ASN 25 N -1.51 -0.58 0.39 1.67 4.22 -1.26 -5.07 114.94 112.80 2k3i s ASN 25 Ca 0.01 0.10 0.00 0.00 -2.14 0.00 0.00 52.86 50.83 2k3i s ASN 25 Cb -0.00 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.12 2k3i s ASN 25 CO 0.71 -0.92 0.00 -0.67 -2.04 0.00 0.00 177.10 174.18 2k3i n ASP 26 N -0.20 -3.14 -2.12 3.54 2.03 -1.26 -5.13 116.55 110.27 2k3i n ASP 26 Ca -0.17 0.74 -0.01 0.00 0.52 0.00 0.00 54.79 55.87 2k3i n ASP 26 Cb 0.64 3.00 0.01 0.00 -0.72 0.00 0.00 41.12 44.05 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 -3.34 0.06 -3.71 1.67 6.94 -1.26 -5.02 115.26 110.60 2k3i n ASN 27 Ca 0.00 -1.05 -0.39 0.00 -0.02 0.00 0.00 54.58 53.12 2k3i n ASN 27 Cb 0.00 -0.03 -0.00 0.00 -2.36 0.00 0.00 39.78 37.39 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 -3.39 -0.14 -0.49 0.00 2.01 -1.26 -0.04 115.64 112.33 2k3i s THR 29 Ca 0.36 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.42 2k3i s THR 29 Cb 0.13 -0.30 0.06 0.00 0.01 0.00 0.00 72.50 72.40 2k3i s THR 29 CO -0.00 0.10 0.52 -0.44 -0.69 0.00 0.00 174.62 174.10 2k3i s SER 30 N 1.60 6.19 -0.36 3.53 0.01 0.16 -4.88 113.70 119.95 2k3i s SER 30 Ca -0.05 -1.10 -0.14 0.00 1.31 0.00 0.00 55.95 55.97 2k3i s SER 30 Cb -0.12 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2k3i s SER 30 CO -0.07 -0.77 0.31 -1.59 0.41 0.00 0.00 173.24 171.53 2k3i s LYS 31 N 2.17 3.40 -0.22 12.44 0.00 -1.26 -0.39 119.74 135.89 2k3i s LYS 31 Ca 0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 55.97 55.42 2k3i s LYS 31 Cb -0.21 -3.85 0.02 0.00 0.00 0.00 0.00 37.83 33.78 2k3i s LYS 31 CO 0.09 -0.56 -0.11 0.12 0.00 0.00 0.00 175.35 174.90 2k3i s PHE 32 N 1.86 2.94 -0.20 1.78 5.36 0.13 -4.95 117.98 124.90 2k3i s PHE 32 Ca 0.08 -1.44 0.01 0.00 -0.96 0.00 0.00 56.93 54.62 2k3i s PHE 32 Cb -0.17 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 2k3i s PHE 32 CO 0.11 -0.71 -0.16 -1.12 -1.46 0.00 0.00 175.22 171.88 2k3i s SER 33 N 1.35 3.54 -0.03 6.13 0.01 -1.25 -0.07 113.70 123.38 2k3i s SER 33 Ca 0.03 -0.75 -0.04 0.00 1.31 0.00 0.00 55.95 56.50 2k3i s SER 33 Cb -0.15 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.56 2k3i s SER 33 CO -0.07 -0.04 0.09 -0.60 0.41 0.00 0.00 173.24 173.03 2k3i s ARG 34 N 1.28 0.18 0.03 12.44 3.00 0.06 -4.98 118.95 130.96 2k3i s ARG 34 Ca 0.03 0.02 -0.21 0.00 -1.00 0.00 0.00 55.73 54.56 2k3i s ARG 34 Cb -0.14 0.08 -0.06 0.00 0.00 0.00 0.00 34.95 34.83 2k3i s ARG 34 CO -0.10 -0.03 0.62 -0.06 0.00 0.00 0.00 175.30 175.73 2k3i s PHE 35 N -0.24 3.73 0.29 5.12 0.08 -1.26 -0.55 117.98 125.16 2k3i s PHE 35 Ca -0.03 1.28 0.08 0.00 0.12 0.00 0.00 56.93 58.38 2k3i s PHE 35 Cb -0.02 -2.62 -0.06 0.00 -0.57 0.00 0.00 43.02 39.75 2k3i s PHE 35 CO 0.00 0.40 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.38 2k3i s PHE 36 N -0.42 2.06 0.13 0.36 0.08 0.29 -4.94 117.98 115.54 2k3i s PHE 36 Ca 0.32 -0.61 -0.20 0.00 0.12 0.00 0.00 56.93 56.55 2k3i s PHE 36 Cb -0.19 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 2k3i s PHE 36 CO 0.19 0.39 1.71 0.00 -0.10 0.00 0.00 175.22 177.41 2k3i h ALA 37 N 2.24 0.12 -2.64 5.36 0.00 -1.86 0.13 119.26 122.61 2k3i h ALA 37 Ca -0.40 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.33 2k3i h ALA 37 Cb 1.24 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 2k3i h ALA 37 CO 0.67 -0.48 -0.57 0.95 0.00 0.00 0.00 179.25 179.82 2k3i s THR 38 N -6.20 0.00 0.55 0.00 -4.23 -1.26 -3.10 115.64 101.39 2k3i s THR 38 Ca -0.13 -1.96 0.22 0.00 -1.18 0.00 0.00 61.69 58.64 2k3i s THR 38 Cb 0.10 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.77 2k3i s THR 38 CO 0.68 0.00 2.15 0.08 -0.54 0.00 0.00 174.62 176.99 2k3i h ARG 39 N 2.55 0.00 -0.43 3.99 0.11 -1.89 -1.11 114.38 117.60 2k3i h ARG 39 Ca -0.34 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.72 2k3i h ARG 39 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 2k3i h ARG 39 CO 0.50 0.00 0.20 0.93 0.10 0.00 0.00 179.97 181.71 2k3i h GLU 40 N 0.00 0.62 0.00 0.08 5.08 -1.98 -2.33 114.58 116.05 2k3i h GLU 40 Ca 0.04 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k3i h GLU 40 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k3i h GLU 40 CO -0.00 0.54 -0.02 0.93 -1.00 0.00 0.00 179.01 179.46 2k3i h GLU 41 N 0.56 0.00 0.04 2.33 4.39 -1.60 -0.12 114.58 120.17 2k3i h GLU 41 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2k3i h GLU 41 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k3i h GLU 41 CO -0.02 0.02 -0.02 0.00 -1.16 0.00 0.00 179.01 177.83 2k3i h ALA 42 N 1.98 -0.05 -0.52 3.43 0.00 -1.27 -2.45 119.26 120.37 2k3i h ALA 42 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3i h ALA 42 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k3i h ALA 42 CO 0.00 -0.27 0.31 0.93 0.00 0.00 0.00 179.25 180.23 2k3i h GLU 43 N -0.57 0.70 0.00 0.00 4.39 -1.15 -2.12 114.58 115.82 2k3i h GLU 43 Ca -0.01 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2k3i h GLU 43 Cb 0.52 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k3i h GLU 43 CO 0.01 0.49 -0.22 0.77 -1.16 0.00 0.00 179.01 178.91 2k3i h SER 44 N 0.71 0.00 0.74 1.42 0.02 -0.90 -2.34 113.55 113.20 2k3i h SER 44 Ca 0.19 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.89 2k3i h SER 44 Cb -0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2k3i h SER 44 CO -0.04 0.22 -1.36 0.15 -1.14 0.00 0.00 176.83 174.66 2k3i h PHE 45 N 0.00 0.00 -0.16 3.45 3.57 -0.91 -3.38 116.94 119.51 2k3i h PHE 45 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 2k3i h PHE 45 Cb 0.42 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.17 2k3i h PHE 45 CO 0.00 0.97 -0.65 1.98 -2.23 0.00 0.00 178.31 178.38 2k3i h MET 46 N 0.00 0.73 0.08 1.11 4.05 -0.93 -3.16 114.93 116.81 2k3i h MET 46 Ca -0.15 -0.57 0.02 0.00 -0.28 0.00 0.00 59.70 58.72 2k3i h MET 46 Cb 1.88 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.74 2k3i h MET 46 CO 0.10 1.18 -0.35 1.15 0.23 0.00 0.00 176.91 179.23 2k3i h THR 47 N 0.44 0.27 0.00 -0.77 2.02 -1.61 0.10 112.91 113.35 2k3i h THR 47 Ca -0.04 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 2k3i h THR 47 Cb 1.28 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2k3i h THR 47 CO 0.14 0.00 -0.30 0.07 0.37 0.00 0.00 175.52 175.80 2k3i h LYS 48 N -0.55 0.00 0.00 6.66 2.10 -1.78 -2.27 116.57 120.74 2k3i h LYS 48 Ca 0.04 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.59 2k3i h LYS 48 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2k3i h LYS 48 CO -0.23 0.30 -0.49 -0.07 -2.00 0.00 0.00 179.45 176.95 2k3i h LEU 49 N 0.00 0.00 -0.79 7.07 -0.00 -1.26 -2.84 115.31 117.49 2k3i h LEU 49 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2k3i h LEU 49 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 2k3i h LEU 49 CO 0.04 0.49 0.51 0.11 -0.00 0.00 0.00 178.44 179.59 2k3i h LYS 50 N 0.00 0.98 -0.83 1.13 1.57 -0.39 0.25 116.57 119.27 2k3i h LYS 50 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k3i h LYS 50 Cb 0.92 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 2k3i h LYS 50 CO 0.06 0.65 0.51 0.93 -0.57 0.00 0.00 179.45 181.03 2k3i h GLU 51 N 1.01 1.11 -0.17 3.15 5.08 -1.52 -1.86 114.58 121.38 2k3i h GLU 51 Ca 0.31 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2k3i h GLU 51 Cb -0.03 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2k3i h GLU 51 CO -0.10 0.77 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.35 2k3i h LEU 52 N 1.13 0.53 -0.79 1.33 3.38 -1.27 -3.17 115.31 116.45 2k3i h LEU 52 Ca 0.30 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2k3i h LEU 52 Cb -0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2k3i h LEU 52 CO -0.06 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.76 2k3i h ALA 53 N 0.59 1.02 -0.35 1.53 0.00 -0.34 -0.83 119.26 120.88 2k3i h ALA 53 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k3i h ALA 53 Cb 0.85 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k3i h ALA 53 CO 0.06 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.14 2k3i h ALA 54 N 1.17 0.44 0.00 0.00 0.00 -1.40 -2.43 119.26 117.04 2k3i h ALA 54 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2k3i h ALA 54 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k3i h ALA 54 CO -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2k3i h ALA 55 N 1.07 1.00 -0.34 0.00 0.00 -1.48 -0.47 119.26 119.04 2k3i h ALA 55 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2k3i h ALA 55 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3i h ALA 55 CO -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.97 2k3i h ALA 56 N 2.20 0.91 0.00 0.00 0.00 -0.65 -3.26 119.26 118.46 2k3i h ALA 56 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 2k3i h ALA 56 Cb 0.70 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k3i h ALA 56 CO 0.00 0.62 -2.06 0.43 0.00 0.00 0.00 179.25 178.24 2k3i n SER 57 N -4.10 0.66 0.00 0.00 7.64 -1.17 -4.60 113.62 112.05 2k3i n SER 57 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k3i n SER 57 Cb 0.44 1.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 2k3i n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3i n SER 58 N -2.44 0.00 -3.84 6.43 7.64 -0.19 -4.86 113.62 116.36 2k3i n SER 58 Ca -0.18 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 2k3i n SER 58 Cb 0.83 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.50 4.87 -0.95 -0.43 0.00 -1.26 -4.83 120.51 118.41 2k3i n ALA 59 Ca 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.67 2k3i n ALA 59 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 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 6.80 0.00 0.17 0.00 8.00 -1.26 -1.02 116.55 129.24 2k3i n ASP 60 Ca 0.51 0.00 0.10 0.00 0.71 0.00 0.00 54.79 56.11 2k3i n ASP 60 Cb 0.40 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.00 0.00 -1.24 5.08 -1.90 -3.48 114.58 113.03 2k3i h GLU 61 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3i h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3i h GLU 61 CO 0.00 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 2k3i n GLY 62 N 1.15 1.53 0.00 -3.84 0.00 -0.19 -4.67 105.19 99.17 2k3i n GLY 62 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i n ALA 63 N 2.49 0.00 -1.68 4.61 0.00 -1.25 -4.54 120.51 120.14 2k3i n ALA 63 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2k3i n ALA 63 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2k3i n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k3i n SER 64 N -0.54 3.47 -4.02 0.00 7.64 -1.26 -4.64 113.62 114.28 2k3i n SER 64 Ca 0.00 1.02 -0.31 0.00 1.01 0.00 0.00 58.87 60.59 2k3i n SER 64 Cb 0.00 -1.44 -0.16 0.00 -1.01 0.00 0.00 64.21 61.60 2k3i n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k3i s VAL 65 N 2.57 1.73 -0.15 0.44 0.11 -1.26 0.16 120.40 124.00 2k3i s VAL 65 Ca 0.85 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2k3i s VAL 65 Cb -0.63 -1.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.50 2k3i s VAL 65 CO 0.43 0.22 -0.02 0.00 -3.33 0.00 0.00 175.10 172.40 2k3i s ALA 66 N 1.36 1.16 -0.03 1.54 0.00 -1.07 -5.00 121.76 119.72 2k3i s ALA 66 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.40 2k3i s ALA 66 Cb -0.16 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2k3i s ALA 66 CO -0.09 -0.78 -0.20 1.52 0.00 0.00 0.00 175.76 176.21 2k3i s TYR 67 N 1.78 1.85 0.05 0.00 1.13 -1.26 -0.74 117.35 120.17 2k3i s TYR 67 Ca 0.02 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.28 2k3i s TYR 67 Cb -0.15 -1.21 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2k3i s TYR 67 CO -0.07 -0.08 0.06 0.15 -2.51 0.00 0.00 175.55 173.10 2k3i s LYS 68 N -0.31 2.88 -0.31 -3.49 1.02 0.16 -4.93 119.74 114.75 2k3i s LYS 68 Ca 0.04 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.41 2k3i s LYS 68 Cb -0.09 -2.73 0.09 0.00 -0.52 0.00 0.00 37.83 34.58 2k3i s LYS 68 CO 0.00 0.59 0.03 0.42 -0.92 0.00 0.00 175.35 175.48 2k3i s ILE 69 N -1.29 1.91 -0.28 2.17 1.01 -1.25 -1.10 121.20 122.36 2k3i s ILE 69 Ca 0.26 -1.96 -0.21 0.00 0.00 0.00 0.00 60.65 58.74 2k3i s ILE 69 Cb -0.12 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2k3i s ILE 69 CO 0.18 -0.50 0.67 -0.75 0.00 0.00 0.00 174.94 174.54 2k3i s LYS 70 N 1.12 4.00 -0.27 2.79 2.47 -0.03 -4.89 119.74 124.92 2k3i s LYS 70 Ca 0.07 0.46 -0.29 0.00 -1.56 0.00 0.00 55.97 54.65 2k3i s LYS 70 Cb -0.19 -3.70 -0.02 0.00 -1.46 0.00 0.00 37.83 32.46 2k3i s LYS 70 CO -0.11 -0.53 1.74 0.16 0.16 0.00 0.00 175.35 176.77 2k3i s ASP 71 N 1.56 6.10 0.53 1.43 -4.77 -1.26 -1.77 116.67 118.49 2k3i s ASP 71 Ca 0.27 1.48 0.02 0.00 -3.30 0.00 0.00 52.55 51.02 2k3i s ASP 71 Cb -0.15 -2.53 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2k3i s ASP 71 CO 0.11 -1.51 0.15 -0.76 0.70 0.00 0.00 175.17 173.85 2k3i s LEU 72 N 6.16 2.39 -0.54 2.11 1.43 -0.64 -4.99 118.68 124.61 2k3i s LEU 72 Ca 0.77 -1.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.10 2k3i s LEU 72 Cb -0.24 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.15 2k3i s LEU 72 CO 0.32 -0.98 0.89 -0.70 0.23 0.00 0.00 176.35 176.12 2k3i s GLU 73 N -4.04 3.31 0.00 1.70 2.12 -1.26 -3.88 118.70 116.65 2k3i s GLU 73 Ca 0.14 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.14 2k3i s GLU 73 Cb -0.00 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2k3i s GLU 73 CO 0.09 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 2k3i n GLY 74 N 5.11 1.01 3.85 -1.50 0.00 -1.26 -4.96 105.19 107.45 2k3i n GLY 74 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.43 1.58 0.09 1.61 -2.07 -1.18 -4.71 119.66 114.56 2k3i s GLN 75 Ca 0.00 -1.01 -0.03 0.00 -1.82 0.00 0.00 55.36 52.51 2k3i s GLN 75 Cb 0.00 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 2k3i s GLN 75 CO 0.00 -0.74 0.05 0.14 -1.32 0.00 0.00 175.29 173.42 2k3i s VAL 76 N -2.31 0.16 -0.28 3.63 -7.23 0.46 -1.61 120.40 113.21 2k3i s VAL 76 Ca 0.19 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 2k3i s VAL 76 Cb -0.03 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2k3i s VAL 76 CO 0.07 -0.72 0.11 -0.70 -0.31 0.00 0.00 175.10 173.55 2k3i s GLU 77 N -3.96 3.45 -0.36 4.82 2.12 -0.73 -0.54 118.70 123.50 2k3i s GLU 77 Ca 0.13 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.67 2k3i s GLU 77 Cb 0.07 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 2k3i s GLU 77 CO -0.06 -0.32 0.40 -1.17 -0.54 0.00 0.00 175.26 173.58 2k3i s LEU 78 N 1.61 4.53 -0.29 2.70 1.98 0.29 -0.85 118.68 128.66 2k3i s LEU 78 Ca 0.05 -0.31 0.03 0.00 -2.89 0.00 0.00 54.13 51.01 2k3i s LEU 78 Cb -0.16 -2.39 0.07 0.00 0.66 0.00 0.00 46.19 44.37 2k3i s LEU 78 CO 0.05 -0.42 -0.04 -0.62 -1.89 0.00 0.00 176.35 173.42 2k3i s ASP 79 N 1.76 4.48 -0.16 3.68 -1.08 -0.25 -0.76 116.67 124.33 2k3i s ASP 79 Ca 0.13 -1.63 0.01 0.00 -0.52 0.00 0.00 52.55 50.53 2k3i s ASP 79 Cb -0.16 -1.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.78 2k3i s ASP 79 CO 0.12 -0.26 -0.18 0.00 0.52 0.00 0.00 175.17 175.37 2k3i s ALA 80 N 1.08 2.41 -0.42 3.66 0.00 0.90 0.38 121.76 129.77 2k3i s ALA 80 Ca -0.01 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 2k3i s ALA 80 Cb -0.19 -1.17 0.09 0.00 0.00 0.00 0.00 23.12 21.85 2k3i s ALA 80 CO -0.07 -0.10 0.25 0.00 0.00 0.00 0.00 175.76 175.84 2k3i s ALA 81 N 0.93 3.26 -0.18 0.00 0.00 0.08 0.23 121.76 126.07 2k3i s ALA 81 Ca -0.04 -2.30 -0.16 0.00 0.00 0.00 0.00 51.96 49.46 2k3i s ALA 81 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2k3i s ALA 81 CO -0.03 -1.72 0.40 -0.06 0.00 0.00 0.00 175.76 174.35 2k3i s PHE 82 N 1.34 3.41 0.06 0.00 0.08 0.48 -2.60 117.98 120.74 2k3i s PHE 82 Ca 0.04 0.66 -0.06 0.00 0.12 0.00 0.00 56.93 57.70 2k3i s PHE 82 Cb -0.24 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 2k3i s PHE 82 CO -0.00 0.05 0.31 0.99 -0.10 0.00 0.00 175.22 176.47 2k3i s THR 83 N 1.09 5.25 0.07 0.64 2.01 0.12 0.40 115.64 125.24 2k3i s THR 83 Ca 0.20 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2k3i s THR 83 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k3i s THR 83 CO 0.08 0.24 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.67 2k3i s PHE 84 N -1.43 1.87 0.41 4.92 0.08 0.94 -3.87 117.98 120.89 2k3i s PHE 84 Ca 0.33 -0.39 0.13 0.00 0.12 0.00 0.00 56.93 57.11 2k3i s PHE 84 Cb -0.13 -1.07 0.85 0.00 -0.57 0.00 0.00 43.02 42.10 2k3i s PHE 84 CO 0.20 0.16 1.91 0.77 -0.10 0.00 0.00 175.22 178.16 2k3i h SER 85 N 4.46 0.02 -4.69 1.36 0.02 -1.86 -3.44 113.55 109.41 2k3i h SER 85 Ca -0.45 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.25 2k3i h SER 85 Cb 1.17 -0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 2k3i h SER 85 CO 0.42 0.29 -0.67 0.00 -1.14 0.00 0.00 176.83 175.72 2k3i h GLN 87 N 2.84 0.00 -0.68 0.00 4.15 -1.94 -2.84 115.11 116.64 2k3i h GLN 87 Ca -0.36 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.10 2k3i h GLN 87 Cb 1.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 2k3i h GLN 87 CO 0.63 0.48 0.42 0.00 -1.93 0.00 0.00 178.83 178.43 2k3i h ALA 88 N 1.52 0.89 -0.70 3.38 0.00 -1.99 -1.85 119.26 120.51 2k3i h ALA 88 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k3i h ALA 88 Cb 1.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k3i h ALA 88 CO 0.06 0.17 0.29 0.93 0.00 0.00 0.00 179.25 180.70 2k3i h GLU 89 N 0.81 1.02 0.32 0.00 4.39 -1.76 -1.55 114.58 117.81 2k3i h GLU 89 Ca 0.28 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2k3i h GLU 89 Cb 0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2k3i h GLU 89 CO -0.12 0.83 -0.46 1.98 -1.16 0.00 0.00 179.01 180.08 2k3i h MET 90 N 1.01 -0.80 -0.23 2.33 1.85 -1.15 -2.08 114.93 115.86 2k3i h MET 90 Ca 0.24 0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 59.22 2k3i h MET 90 Cb 0.18 0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 2k3i h MET 90 CO -0.02 -0.53 -0.52 -0.84 -0.40 0.00 0.00 176.91 174.60 2k3i h ILE 91 N -0.83 1.30 -0.03 1.77 3.07 -1.18 -2.40 117.51 119.21 2k3i h ILE 91 Ca -0.02 -1.74 -0.08 0.00 1.55 0.00 0.00 64.86 64.57 2k3i h ILE 91 Cb 0.77 1.68 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 2k3i h ILE 91 CO -0.14 0.55 -0.33 0.16 -1.05 0.00 0.00 178.15 177.33 2k3i h ILE 92 N 0.51 1.25 -0.11 0.16 -0.00 -1.28 0.47 117.51 118.51 2k3i h ILE 92 Ca 0.02 -1.21 -0.03 0.00 -0.00 0.00 0.00 64.86 63.64 2k3i h ILE 92 Cb 1.07 1.60 -0.00 0.00 -0.00 0.00 0.00 36.82 39.50 2k3i h ILE 92 CO 0.10 0.35 -0.04 0.15 -0.00 0.00 0.00 178.15 178.71 2k3i h PHE 93 N 0.06 0.25 -0.38 0.16 3.57 -1.19 -2.15 116.94 117.26 2k3i h PHE 93 Ca 0.01 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.50 2k3i h PHE 93 Cb 0.62 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2k3i h PHE 93 CO 0.00 0.55 0.11 0.93 -2.23 0.00 0.00 178.31 177.68 2k3i h GLU 94 N -0.12 0.25 -0.62 1.11 4.39 -1.01 -1.11 114.58 117.47 2k3i h GLU 94 Ca 0.03 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.79 2k3i h GLU 94 Cb 0.48 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2k3i h GLU 94 CO 0.01 0.16 0.28 -0.07 -1.16 0.00 0.00 179.01 178.23 2k3i h LEU 95 N 0.25 0.34 -0.83 1.33 3.38 -0.88 -1.99 115.31 116.92 2k3i h LEU 95 Ca 0.18 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2k3i h LEU 95 Cb 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2k3i h LEU 95 CO -0.20 0.21 0.10 0.28 0.09 0.00 0.00 178.44 178.93 2k3i h SER 96 N 0.50 0.93 -0.82 -0.43 0.02 -0.76 -1.39 113.55 111.61 2k3i h SER 96 Ca 0.30 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2k3i h SER 96 Cb 0.31 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2k3i h SER 96 CO -0.25 0.93 0.34 -0.07 -1.14 0.00 0.00 176.83 176.64 2k3i h LEU 97 N 0.93 1.11 -0.50 5.07 3.38 -0.50 -2.12 115.31 122.68 2k3i h LEU 97 Ca 0.19 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2k3i h LEU 97 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2k3i h LEU 97 CO 0.01 0.97 -0.75 0.03 0.09 0.00 0.00 178.44 178.79 2k3i h ARG 98 N 1.18 0.04 0.00 1.13 -0.00 -1.19 -1.30 114.38 114.24 2k3i h ARG 98 Ca 0.27 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 2k3i h ARG 98 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.18 2k3i h ARG 98 CO -0.03 0.77 0.00 0.43 0.00 0.00 0.00 179.97 181.15 2k3i n SER 99 N -3.67 0.00 -0.00 7.04 7.64 -0.54 -2.04 113.62 122.04 2k3i n SER 99 Ca -0.01 -0.69 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 2k3i n SER 99 Cb 0.72 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.04 0.25 -0.10 -3.43 0.00 -0.85 -4.83 117.00 107.00 2k3i n LEU 100 Ca 0.18 0.04 -0.11 0.00 0.00 0.00 0.00 56.01 56.12 2k3i n LEU 100 Cb 0.10 -0.31 -0.16 0.00 0.00 0.00 0.00 43.42 43.05 2k3i n LEU 100 CO 0.15 -0.50 -1.17 0.00 0.00 0.00 0.00 177.39 175.87 2k3i n ALA 101 N -2.74 1.49 -2.14 1.96 0.00 -0.54 -4.49 120.51 114.05 2k3i n ALA 101 Ca -0.01 -1.30 -0.36 0.00 0.00 0.00 0.00 53.44 51.76 2k3i n ALA 101 Cb 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.81 6.75 0.10 0.00 4.77 -1.11 -4.82 117.00 119.87 2k3i n LEU 102 Ca -0.34 -4.99 -0.13 0.00 -0.03 0.00 0.00 56.01 50.52 2k3i n LEU 102 Cb 1.14 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2k3i n LEU 102 CO 0.41 1.91 0.64 -0.33 -1.33 0.00 0.00 177.39 178.70 2k3i h GLU 103 N 2.98 -0.52 -6.37 3.23 5.08 -1.63 -3.32 114.58 114.02 2k3i h GLU 103 Ca 0.49 0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 58.33 2k3i h GLU 103 Cb 0.28 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2k3i h GLU 103 CO 1.26 -0.35 0.99 -3.38 -1.00 0.00 0.00 179.01 176.53 2k3i s HIS 104 N -5.99 2.43 -0.55 4.33 -3.43 -1.26 -4.93 115.29 105.88 2k3i s HIS 104 Ca -0.16 0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.23 2k3i s HIS 104 Cb 0.08 -4.56 0.16 0.00 -1.43 0.00 0.00 32.58 26.83 2k3i s HIS 104 CO 0.65 -1.87 0.37 -1.58 -2.00 0.00 0.00 174.74 170.31 2k3i s HIS 105 N 5.34 2.58 -0.71 0.38 5.04 -1.25 -5.03 115.29 121.64 2k3i s HIS 105 Ca 0.37 -2.87 -0.20 0.00 -1.54 0.00 0.00 55.06 50.82 2k3i s HIS 105 Cb -0.08 -2.11 0.10 0.00 0.04 0.00 0.00 32.58 30.52 2k3i s HIS 105 CO 0.18 -0.69 0.92 -1.58 -2.34 0.00 0.00 174.74 171.24 2k3i s HIS 106 N -0.55 2.90 -0.32 3.88 2.46 -1.26 -4.93 115.29 117.47 2k3i s HIS 106 Ca 0.24 -0.91 0.02 0.00 0.47 0.00 0.00 55.06 54.88 2k3i s HIS 106 Cb -0.10 -4.20 0.16 0.00 -0.13 0.00 0.00 32.58 28.31 2k3i s HIS 106 CO -0.11 -1.49 0.39 -1.58 -2.47 0.00 0.00 174.74 169.48 2k3i s HIS 107 N 3.23 -0.76 -0.12 3.88 5.04 -1.26 -5.02 115.29 120.27 2k3i s HIS 107 Ca 0.21 -0.09 -0.08 0.00 -1.54 0.00 0.00 55.06 53.56 2k3i s HIS 107 Cb -0.16 -0.25 0.03 0.00 0.04 0.00 0.00 32.58 32.24 2k3i s HIS 107 CO 0.04 -0.98 0.16 1.58 -2.34 0.00 0.00 174.74 173.20 2k3i n HIS 108 N 4.97 -2.89 0.00 3.88 -0.00 -1.26 -5.10 115.22 114.83 2k3i n HIS 108 Ca 0.04 1.68 0.00 0.00 -0.00 0.00 0.00 57.72 59.44 2k3i n HIS 108 Cb 0.48 -3.06 0.00 0.00 -0.00 0.00 0.00 29.99 27.41 2k3i n HIS 108 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95