#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 -2.77 -2.62 3.04 0.00 -1.26 -5.13 120.51 111.77 2k3i n ALA 2 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 2k3i n ALA 2 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2k3i n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2k3i s MET 3 N 0.01 3.26 -0.04 0.00 0.00 -1.26 -4.80 119.30 116.48 2k3i s MET 3 Ca 0.01 -0.47 0.10 0.00 0.00 0.00 0.00 55.69 55.33 2k3i s MET 3 Cb 0.03 -4.01 0.27 0.00 0.00 0.00 0.00 34.83 31.11 2k3i s MET 3 CO -0.01 -1.17 1.21 1.63 0.00 0.00 0.00 175.02 176.68 2k3i n LYS 4 N 6.52 2.82 -1.68 4.11 4.01 -1.26 -5.03 118.16 127.65 2k3i n LYS 4 Ca -0.02 -2.07 -0.47 0.00 -0.51 0.00 0.00 58.31 55.24 2k3i n LYS 4 Cb 0.47 -1.31 -0.04 0.00 -0.51 0.00 0.00 35.03 33.64 2k3i n LYS 4 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2k3i n ASP 5 N 0.00 3.59 -3.71 4.39 2.03 -1.26 -4.97 116.55 116.63 2k3i n ASP 5 Ca 0.11 0.97 -0.11 0.00 0.52 0.00 0.00 54.79 56.27 2k3i n ASP 5 Cb 0.47 -1.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 2k3i n ASP 5 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k3i s VAL 6 N 3.74 -0.01 -0.14 5.18 0.11 -1.26 -5.14 120.40 122.88 2k3i s VAL 6 Ca 0.90 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 60.01 2k3i s VAL 6 Cb -0.63 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2k3i s VAL 6 CO 0.48 0.02 -0.14 0.54 -3.33 0.00 0.00 175.10 172.67 2k3i s VAL 7 N 0.94 1.51 -0.57 2.04 0.11 -1.26 -5.09 120.40 118.08 2k3i s VAL 7 Ca -0.06 -0.61 -0.22 0.00 -2.93 0.00 0.00 61.98 58.17 2k3i s VAL 7 Cb -0.06 -1.41 0.06 0.00 -1.53 0.00 0.00 36.38 33.43 2k3i s VAL 7 CO -0.08 0.45 0.83 -0.62 -3.33 0.00 0.00 175.10 172.35 2k3i s ASP 8 N 1.38 6.25 -0.38 3.54 -1.08 -1.26 -4.88 116.67 120.23 2k3i s ASP 8 Ca 0.02 -0.79 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 2k3i s ASP 8 Cb -0.13 -2.37 0.19 0.00 -1.46 0.00 0.00 42.92 39.14 2k3i s ASP 8 CO -0.08 -1.16 0.81 -0.75 0.52 0.00 0.00 175.17 174.51 2k3i s LYS 9 N 3.44 0.58 0.13 4.34 2.20 -1.26 -5.16 119.74 124.01 2k3i s LYS 9 Ca 0.22 -0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.67 2k3i s LYS 9 Cb -0.17 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 2k3i s LYS 9 CO 0.13 -0.82 -0.22 0.00 -0.36 0.00 0.00 175.35 174.09 2k3i s SER 11 N -2.14 1.77 -0.11 0.00 0.15 -1.26 -5.14 113.70 106.97 2k3i s SER 11 Ca 0.16 -0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.27 2k3i s SER 11 Cb -0.10 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.95 2k3i s SER 11 CO 0.08 0.16 0.63 0.28 1.20 0.00 0.00 173.24 175.59 2k3i s THR 12 N -0.17 0.01 0.14 6.45 -1.32 -1.26 -5.18 115.64 114.32 2k3i s THR 12 Ca 0.02 -0.05 -0.24 0.00 -1.21 0.00 0.00 61.69 60.20 2k3i s THR 12 Cb -0.08 -0.93 0.08 0.00 -1.51 0.00 0.00 72.50 70.06 2k3i s THR 12 CO 0.00 -0.03 1.04 -1.59 -2.21 0.00 0.00 174.62 171.83 2k3i s LYS 13 N -0.67 1.14 0.00 7.08 -2.85 -1.26 -5.06 119.74 118.12 2k3i s LYS 13 Ca -0.07 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2k3i s LYS 13 Cb -0.02 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2k3i s LYS 13 CO 0.06 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.39 2k3i n GLY 14 N -0.58 0.53 3.45 0.59 0.00 -1.26 -5.04 105.19 102.89 2k3i n GLY 14 Ca -0.05 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 6.85 2.12 -1.40 0.00 0.00 -1.26 -5.07 120.51 121.74 2k3i n ALA 16 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2k3i n ALA 16 Cb 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2k3i n ALA 16 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k3i n ILE 17 N 0.13 -5.66 -4.05 0.00 2.08 -1.26 -5.08 119.36 105.52 2k3i n ILE 17 Ca 0.01 1.02 -0.21 0.00 0.56 0.00 0.00 62.75 64.12 2k3i n ILE 17 Cb 0.81 -3.94 -0.17 0.00 -0.75 0.00 0.00 39.64 35.59 2k3i n ILE 17 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2k3i s ASP 18 N -0.19 1.25 -0.34 4.38 2.15 -1.26 -5.11 116.67 117.55 2k3i s ASP 18 Ca 0.00 -0.14 0.03 0.00 0.43 0.00 0.00 52.55 52.87 2k3i s ASP 18 Cb 0.00 -0.49 0.10 0.00 -0.30 0.00 0.00 42.92 42.23 2k3i s ASP 18 CO 0.00 -0.09 0.07 0.27 -0.17 0.00 0.00 175.17 175.25 2k3i s ILE 19 N 1.25 2.02 -0.58 4.11 -4.36 -1.26 -5.03 121.20 117.35 2k3i s ILE 19 Ca -0.06 -2.22 0.04 0.00 -0.26 0.00 0.00 60.65 58.16 2k3i s ILE 19 Cb -0.14 -2.50 0.15 0.00 1.25 0.00 0.00 42.46 41.23 2k3i s ILE 19 CO -0.02 -0.63 0.37 -0.83 0.24 0.00 0.00 174.94 174.07 2k3i s GLY 20 N 0.98 2.44 0.02 6.27 0.00 -1.26 -4.66 107.32 111.11 2k3i s GLY 20 Ca 0.11 -3.35 -0.23 0.00 0.00 0.00 0.00 44.72 41.25 2k3i s GLY 20 CO -0.11 1.21 0.52 -1.08 0.00 0.00 0.00 173.10 173.64 2k3i s THR 21 N -0.68 0.03 -0.32 0.90 -1.32 -1.26 -5.05 115.64 107.95 2k3i s THR 21 Ca 0.22 -0.24 -0.05 0.00 -1.21 0.00 0.00 61.69 60.40 2k3i s THR 21 Cb -0.14 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2k3i s THR 21 CO -0.09 -0.13 0.19 0.52 -2.21 0.00 0.00 174.62 172.90 2k3i n VAL 22 N 0.62-10.80 -2.55 5.08 0.31 -1.26 -4.86 118.33 104.87 2k3i n VAL 22 Ca -0.19 1.37 -0.41 0.00 -0.01 0.00 0.00 64.34 65.11 2k3i n VAL 22 Cb 0.59 -6.78 -0.03 0.00 -0.91 0.00 0.00 33.84 26.71 2k3i n VAL 22 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2k3i s ILE 23 N -1.82 3.85 -0.94 2.52 1.09 -1.26 -4.92 121.20 119.72 2k3i s ILE 23 Ca 0.08 -0.41 -0.17 0.00 -1.10 0.00 0.00 60.65 59.06 2k3i s ILE 23 Cb -0.02 -5.01 0.16 0.00 -1.06 0.00 0.00 42.46 36.53 2k3i s ILE 23 CO 0.70 -1.90 1.08 -0.62 -0.10 0.00 0.00 174.94 174.10 2k3i s ASP 24 N 4.65 6.73 0.28 3.58 2.15 -1.26 -5.02 116.67 127.78 2k3i s ASP 24 Ca 0.43 -2.35 -0.25 0.00 0.43 0.00 0.00 52.55 50.81 2k3i s ASP 24 Cb -0.02 -2.35 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 2k3i s ASP 24 CO -0.02 -0.89 0.89 0.54 -0.17 0.00 0.00 175.17 175.52 2k3i s ASN 25 N 3.13 7.34 0.00 -0.34 4.22 -1.26 -4.85 114.94 123.18 2k3i s ASN 25 Ca 0.30 1.76 0.00 0.00 -2.14 0.00 0.00 52.86 52.78 2k3i s ASN 25 Cb -0.06 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.92 2k3i s ASN 25 CO -0.08 0.01 0.00 -0.67 -2.04 0.00 0.00 177.10 174.32 2k3i n ASP 26 N 0.82 0.00 -3.01 3.54 2.03 -1.26 -5.16 116.55 113.51 2k3i n ASP 26 Ca -0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.13 2k3i n ASP 26 Cb 0.50 0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 41.00 2k3i n ASP 26 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k3i n ASN 27 N -1.50 -0.33 -1.42 1.67 3.02 -1.26 -5.02 115.26 110.41 2k3i n ASN 27 Ca 0.00 -2.88 0.11 0.00 -0.03 0.00 0.00 54.58 51.78 2k3i n ASN 27 Cb 0.00 1.35 0.33 0.00 -0.61 0.00 0.00 39.78 40.85 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3i s THR 29 N -1.31 1.23 -0.37 0.00 2.01 -1.26 -1.85 115.64 114.08 2k3i s THR 29 Ca 0.49 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 2k3i s THR 29 Cb 0.28 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2k3i s THR 29 CO 0.30 0.37 0.36 -0.55 -0.69 0.00 0.00 174.62 174.41 2k3i s SER 30 N 0.55 6.16 -0.38 3.53 0.15 0.66 -4.89 113.70 119.48 2k3i s SER 30 Ca -0.13 -0.46 -0.15 0.00 0.70 0.00 0.00 55.95 55.91 2k3i s SER 30 Cb -0.15 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2k3i s SER 30 CO 0.04 -0.40 0.35 -0.54 1.20 0.00 0.00 173.24 173.89 2k3i s LYS 31 N 1.97 3.29 -0.17 5.44 -0.14 -1.26 -0.74 119.74 128.13 2k3i s LYS 31 Ca 0.10 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 54.04 2k3i s LYS 31 Cb -0.17 -3.89 0.03 0.00 -1.68 0.00 0.00 37.83 32.12 2k3i s LYS 31 CO 0.12 -0.65 -0.14 0.12 -0.76 0.00 0.00 175.35 174.04 2k3i s PHE 32 N 1.94 2.36 -0.10 3.18 5.36 -0.07 -4.97 117.98 125.68 2k3i s PHE 32 Ca 0.10 -1.42 0.03 0.00 -0.96 0.00 0.00 56.93 54.67 2k3i s PHE 32 Cb -0.17 -1.66 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2k3i s PHE 32 CO 0.12 -0.72 -0.20 -1.12 -1.46 0.00 0.00 175.22 171.84 2k3i s SER 33 N 1.42 3.49 0.05 6.13 0.01 -1.26 -0.10 113.70 123.45 2k3i s SER 33 Ca 0.03 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.88 2k3i s SER 33 Cb -0.14 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 2k3i s SER 33 CO -0.10 0.19 -0.10 -0.13 0.41 0.00 0.00 173.24 173.51 2k3i s ARG 34 N 0.19 0.64 -0.14 12.44 1.81 0.12 -4.99 118.95 129.02 2k3i s ARG 34 Ca -0.11 -0.84 -0.04 0.00 -1.72 0.00 0.00 55.73 53.01 2k3i s ARG 34 Cb -0.16 -0.47 -0.03 0.00 -0.45 0.00 0.00 34.95 33.84 2k3i s ARG 34 CO 0.06 0.09 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.71 2k3i s PHE 35 N -1.42 3.10 0.35 -0.53 0.08 -1.26 0.07 117.98 118.37 2k3i s PHE 35 Ca -0.07 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.92 2k3i s PHE 35 Cb -0.09 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2k3i s PHE 35 CO 0.01 0.12 0.07 -0.06 -0.10 0.00 0.00 175.22 175.26 2k3i s PHE 36 N 0.07 1.95 -0.02 0.36 0.08 -0.44 -4.94 117.98 115.05 2k3i s PHE 36 Ca 0.01 -1.00 -0.23 0.00 0.12 0.00 0.00 56.93 55.83 2k3i s PHE 36 Cb -0.13 -1.29 -0.16 0.00 -0.57 0.00 0.00 43.02 40.87 2k3i s PHE 36 CO 0.02 -0.02 1.08 0.00 -0.10 0.00 0.00 175.22 176.20 2k3i h ALA 37 N 2.03 -0.33 -2.09 5.36 0.00 -1.87 0.21 119.26 122.57 2k3i h ALA 37 Ca -0.40 -0.20 -0.46 0.00 0.00 0.00 0.00 54.91 53.85 2k3i h ALA 37 Cb 1.25 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 2k3i h ALA 37 CO 0.68 -0.45 -0.64 0.95 0.00 0.00 0.00 179.25 179.79 2k3i s THR 38 N -4.13 1.28 0.57 0.00 -4.23 -1.26 -3.80 115.64 104.08 2k3i s THR 38 Ca -0.13 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 58.62 2k3i s THR 38 Cb 0.01 -2.59 0.34 0.00 1.34 0.00 0.00 72.50 71.61 2k3i s THR 38 CO 0.51 -0.16 2.24 0.08 -0.54 0.00 0.00 174.62 176.75 2k3i h ARG 39 N 2.25 0.00 0.10 3.99 0.11 -1.93 -1.59 114.38 117.31 2k3i h ARG 39 Ca -0.40 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.68 2k3i h ARG 39 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2k3i h ARG 39 CO 0.68 0.01 -0.05 0.93 0.10 0.00 0.00 179.97 181.64 2k3i h GLU 40 N 0.00 -0.13 -0.51 0.08 5.08 -1.99 -0.52 114.58 116.59 2k3i h GLU 40 Ca -0.00 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2k3i h GLU 40 Cb 0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k3i h GLU 40 CO 0.00 -0.02 0.35 0.93 -1.00 0.00 0.00 179.01 179.28 2k3i h GLU 41 N -0.21 0.12 0.05 2.33 4.39 -1.70 -1.58 114.58 117.99 2k3i h GLU 41 Ca -0.01 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k3i h GLU 41 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2k3i h GLU 41 CO 0.02 0.08 -0.02 0.00 -1.16 0.00 0.00 179.01 177.93 2k3i h ALA 42 N 1.75 -0.06 -0.33 3.43 0.00 -1.16 -3.25 119.26 119.63 2k3i h ALA 42 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k3i h ALA 42 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2k3i h ALA 42 CO -0.03 -0.12 0.08 0.93 0.00 0.00 0.00 179.25 180.11 2k3i h GLU 43 N -0.90 0.48 0.00 0.00 5.08 -0.83 -1.09 114.58 117.33 2k3i h GLU 43 Ca -0.01 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2k3i h GLU 43 Cb 0.65 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k3i h GLU 43 CO 0.01 0.45 -0.12 0.77 -1.00 0.00 0.00 179.01 179.12 2k3i h SER 44 N 0.48 0.00 0.51 1.42 0.02 -1.40 -2.54 113.55 112.03 2k3i h SER 44 Ca 0.11 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.77 2k3i h SER 44 Cb 0.18 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.74 2k3i h SER 44 CO -0.00 0.12 -1.32 0.15 -1.14 0.00 0.00 176.83 174.64 2k3i h PHE 45 N 0.00 0.66 0.00 3.45 3.57 -1.23 -3.33 116.94 120.06 2k3i h PHE 45 Ca -0.00 -0.48 -0.11 0.00 3.53 0.00 0.00 57.97 60.91 2k3i h PHE 45 Cb 0.24 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2k3i h PHE 45 CO 0.00 1.37 -0.53 1.98 -2.23 0.00 0.00 178.31 178.90 2k3i h MET 46 N 0.10 0.00 -0.18 1.11 4.05 -1.19 -3.17 114.93 115.65 2k3i h MET 46 Ca -0.17 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.30 2k3i h MET 46 Cb 2.03 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.78 2k3i h MET 46 CO 0.23 0.53 -0.16 1.15 0.23 0.00 0.00 176.91 178.89 2k3i h THR 47 N 0.00 0.56 0.00 -0.77 2.02 -1.60 -0.27 112.91 112.86 2k3i h THR 47 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2k3i h THR 47 Cb 0.96 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2k3i h THR 47 CO 0.07 0.00 -0.55 0.07 0.37 0.00 0.00 175.52 175.48 2k3i h LYS 48 N -0.17 0.00 -0.57 6.66 2.10 -1.76 -2.85 116.57 119.98 2k3i h LYS 48 Ca 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.73 2k3i h LYS 48 Cb 0.34 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.64 2k3i h LYS 48 CO -0.29 0.55 0.20 -0.07 -2.00 0.00 0.00 179.45 177.85 2k3i h LEU 49 N 0.00 0.77 -0.74 7.07 -0.00 -1.30 -1.17 115.31 119.93 2k3i h LEU 49 Ca -0.01 -0.11 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2k3i h LEU 49 Cb 1.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.51 2k3i h LEU 49 CO 0.07 0.71 0.46 0.11 -0.00 0.00 0.00 178.44 179.79 2k3i h LYS 50 N 0.82 0.85 -0.22 1.13 1.57 -0.84 0.10 116.57 119.99 2k3i h LYS 50 Ca 0.19 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2k3i h LYS 50 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2k3i h LYS 50 CO -0.01 0.56 -0.10 0.93 -0.57 0.00 0.00 179.45 180.26 2k3i h GLU 51 N 0.88 0.46 -0.72 3.15 5.08 -1.41 -2.97 114.58 119.04 2k3i h GLU 51 Ca 0.31 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2k3i h GLU 51 Cb 0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2k3i h GLU 51 CO -0.13 0.73 0.34 -0.07 -1.00 0.00 0.00 179.01 178.88 2k3i h LEU 52 N 0.16 0.94 -1.57 1.33 3.38 -0.96 -2.34 115.31 116.26 2k3i h LEU 52 Ca 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2k3i h LEU 52 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k3i h LEU 52 CO 0.03 0.80 0.10 0.00 0.09 0.00 0.00 178.44 179.47 2k3i h ALA 53 N 1.34 1.66 -0.16 1.53 0.00 -0.71 -1.73 119.26 121.19 2k3i h ALA 53 Ca 0.25 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k3i h ALA 53 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3i h ALA 53 CO -0.03 0.27 -0.22 0.00 0.00 0.00 0.00 179.25 179.27 2k3i h ALA 54 N 1.73 0.25 -0.42 0.00 0.00 -1.27 -2.39 119.26 117.17 2k3i h ALA 54 Ca 0.10 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2k3i h ALA 54 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k3i h ALA 54 CO -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 2k3i h ALA 55 N 0.60 1.20 0.00 0.00 0.00 -1.24 -2.74 119.26 117.08 2k3i h ALA 55 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3i h ALA 55 Cb 0.78 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3i h ALA 55 CO 0.05 0.52 -0.39 0.00 0.00 0.00 0.00 179.25 179.44 2k3i n ALA 56 N -2.48 2.85 -1.78 0.00 0.00 -0.69 -4.88 120.51 113.54 2k3i n ALA 56 Ca 0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 2k3i n ALA 56 Cb 0.29 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2k3i n ALA 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k3i s SER 57 N -3.84 7.25 0.49 0.00 1.04 -0.92 -4.80 113.70 112.93 2k3i s SER 57 Ca 0.09 2.27 0.23 0.00 0.48 0.00 0.00 55.95 59.02 2k3i s SER 57 Cb 0.15 -2.63 1.28 0.00 0.10 0.00 0.00 66.02 64.92 2k3i s SER 57 CO 0.66 -0.16 2.04 0.28 0.98 0.00 0.00 173.24 177.04 2k3i h SER 58 N 3.90 0.00 0.05 7.02 0.02 -1.87 -2.75 113.55 119.93 2k3i h SER 58 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2k3i h SER 58 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k3i h SER 58 CO 0.67 0.15 -0.11 0.00 -1.14 0.00 0.00 176.83 176.41 2k3i n ALA 59 N -2.36 2.77 0.00 3.77 0.00 -1.26 -4.93 120.51 118.50 2k3i n ALA 59 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k3i n ALA 59 Cb 0.25 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.10 0.00 0.22 0.00 9.92 -1.04 -4.67 116.55 121.08 2k3i n ASP 60 Ca 0.16 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.28 2k3i n ASP 60 Cb 0.40 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.70 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k3i h GLU 61 N 0.21 -0.57 0.00 -1.24 4.39 -1.87 -3.44 114.58 112.06 2k3i h GLU 61 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k3i h GLU 61 Cb 0.00 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k3i h GLU 61 CO 0.00 -0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.00 2k3i n GLY 62 N -0.42 2.72 3.87 -3.84 0.00 -1.26 -4.70 105.19 101.55 2k3i n GLY 62 Ca -0.10 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 3.38 -0.62 4.61 0.00 -1.11 -4.84 121.76 121.18 2k3i s ALA 63 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 2k3i s ALA 63 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2k3i s ALA 63 CO 0.00 0.10 2.11 -1.12 0.00 0.00 0.00 175.76 176.85 2k3i s SER 64 N -2.97 4.83 -0.30 0.00 0.01 -1.03 -4.84 113.70 109.40 2k3i s SER 64 Ca 0.51 0.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.12 2k3i s SER 64 Cb -0.10 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2k3i s SER 64 CO 0.28 -2.74 0.16 0.54 0.41 0.00 0.00 173.24 171.89 2k3i s VAL 65 N 10.83 4.78 -0.41 3.43 0.11 -1.25 -0.24 120.40 137.64 2k3i s VAL 65 Ca 0.80 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.56 2k3i s VAL 65 Cb -0.13 -3.38 0.11 0.00 -1.53 0.00 0.00 36.38 31.44 2k3i s VAL 65 CO 0.19 0.12 0.21 0.00 -3.33 0.00 0.00 175.10 172.30 2k3i s ALA 66 N 1.65 3.17 -0.00 1.54 0.00 0.59 -4.97 121.76 123.75 2k3i s ALA 66 Ca 0.05 -2.47 0.04 0.00 0.00 0.00 0.00 51.96 49.58 2k3i s ALA 66 Cb -0.17 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2k3i s ALA 66 CO 0.07 -1.78 -0.11 1.52 0.00 0.00 0.00 175.76 175.47 2k3i s TYR 67 N 1.19 2.78 0.07 0.00 -0.85 -1.26 -1.74 117.35 117.54 2k3i s TYR 67 Ca 0.07 -0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.54 2k3i s TYR 67 Cb -0.23 -1.58 -0.03 0.00 0.38 0.00 0.00 41.96 40.49 2k3i s TYR 67 CO -0.03 0.31 -0.08 0.15 -1.52 0.00 0.00 175.55 174.37 2k3i s LYS 68 N -1.26 0.70 -0.16 -3.49 1.02 0.54 -5.01 119.74 112.08 2k3i s LYS 68 Ca 0.15 -1.02 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 2k3i s LYS 68 Cb -0.11 -0.35 0.04 0.00 -0.52 0.00 0.00 37.83 36.90 2k3i s LYS 68 CO 0.05 0.04 -0.01 0.42 -0.92 0.00 0.00 175.35 174.93 2k3i s ILE 69 N -2.26 0.77 -0.26 2.17 1.01 -1.26 -0.58 121.20 120.78 2k3i s ILE 69 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 2k3i s ILE 69 Cb -0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2k3i s ILE 69 CO -0.01 0.04 0.11 -0.75 0.00 0.00 0.00 174.94 174.33 2k3i s LYS 70 N 1.77 3.72 -0.27 2.79 2.47 -0.31 -4.95 119.74 124.96 2k3i s LYS 70 Ca 0.01 -0.45 -0.29 0.00 -1.56 0.00 0.00 55.97 53.68 2k3i s LYS 70 Cb -0.15 -3.44 0.01 0.00 -1.46 0.00 0.00 37.83 32.79 2k3i s LYS 70 CO -0.07 -0.20 1.06 -0.51 0.16 0.00 0.00 175.35 175.78 2k3i s ASP 71 N 1.66 7.02 0.29 1.43 1.01 -1.26 -0.53 116.67 126.30 2k3i s ASP 71 Ca 0.06 1.23 0.02 0.00 0.71 0.00 0.00 52.55 54.58 2k3i s ASP 71 Cb -0.16 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2k3i s ASP 71 CO 0.06 -0.76 0.19 0.18 0.21 0.00 0.00 175.17 175.05 2k3i n LEU 72 N 6.56 0.00 -4.43 1.23 4.77 -0.08 -4.98 117.00 120.07 2k3i n LEU 72 Ca 0.12 -1.58 -0.44 0.00 -0.03 0.00 0.00 56.01 54.09 2k3i n LEU 72 Cb 0.46 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2k3i n LEU 72 CO 0.55 -0.41 0.60 -0.70 -1.33 0.00 0.00 177.39 176.11 2k3i s GLU 73 N -3.19 3.09 0.00 3.23 2.56 -1.26 -3.94 118.70 119.19 2k3i s GLU 73 Ca 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 54.97 54.12 2k3i s GLU 73 Cb -0.01 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.89 2k3i s GLU 73 CO 0.09 -1.67 0.00 0.41 -0.56 0.00 0.00 175.26 173.53 2k3i n GLY 74 N 5.29 2.38 3.66 -1.50 0.00 -1.26 -5.00 105.19 108.77 2k3i n GLY 74 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.97 2.00 0.08 1.61 -2.07 -1.25 -4.76 119.66 114.31 2k3i s GLN 75 Ca 0.00 -1.51 0.01 0.00 -1.82 0.00 0.00 55.36 52.04 2k3i s GLN 75 Cb 0.00 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 2k3i s GLN 75 CO 0.00 -0.89 -0.05 0.14 -1.32 0.00 0.00 175.29 173.17 2k3i s VAL 76 N -2.91 0.53 -0.26 3.63 -7.23 0.72 -0.90 120.40 113.98 2k3i s VAL 76 Ca 0.22 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2k3i s VAL 76 Cb -0.03 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2k3i s VAL 76 CO 0.14 -0.91 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.31 2k3i s GLU 77 N -3.84 2.96 -0.33 4.82 2.12 0.31 -1.33 118.70 123.41 2k3i s GLU 77 Ca 0.10 -0.91 -0.18 0.00 0.36 0.00 0.00 54.97 54.34 2k3i s GLU 77 Cb 0.06 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 2k3i s GLU 77 CO -0.06 -0.40 0.51 -1.17 -0.54 0.00 0.00 175.26 173.60 2k3i s LEU 78 N 1.40 4.28 -0.22 2.70 1.98 0.11 -1.17 118.68 127.76 2k3i s LEU 78 Ca 0.01 0.08 -0.01 0.00 -2.89 0.00 0.00 54.13 51.33 2k3i s LEU 78 Cb -0.17 -2.60 0.02 0.00 0.66 0.00 0.00 46.19 44.10 2k3i s LEU 78 CO -0.02 -0.44 -0.11 -0.62 -1.89 0.00 0.00 176.35 173.27 2k3i s ASP 79 N 1.72 3.92 0.06 3.68 2.15 0.25 -0.70 116.67 127.75 2k3i s ASP 79 Ca 0.19 -0.70 0.07 0.00 0.43 0.00 0.00 52.55 52.54 2k3i s ASP 79 Cb -0.15 -1.62 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2k3i s ASP 79 CO 0.13 -0.06 -0.16 0.00 -0.17 0.00 0.00 175.17 174.91 2k3i s ALA 80 N 1.34 2.70 -0.23 3.66 0.00 0.86 -0.34 121.76 129.75 2k3i s ALA 80 Ca 0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 2k3i s ALA 80 Cb -0.15 -0.78 0.09 0.00 0.00 0.00 0.00 23.12 22.28 2k3i s ALA 80 CO -0.07 0.59 0.17 0.00 0.00 0.00 0.00 175.76 176.45 2k3i s ALA 81 N -1.01 0.13 -0.31 0.00 0.00 -0.71 -0.89 121.76 118.96 2k3i s ALA 81 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2k3i s ALA 81 Cb -0.11 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.73 2k3i s ALA 81 CO 0.07 -1.37 0.08 -0.06 0.00 0.00 0.00 175.76 174.49 2k3i s PHE 82 N 2.22 3.20 -0.45 0.00 0.08 0.08 -0.30 117.98 122.80 2k3i s PHE 82 Ca 0.06 -1.26 -0.19 0.00 0.12 0.00 0.00 56.93 55.66 2k3i s PHE 82 Cb -0.16 -2.25 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2k3i s PHE 82 CO -0.20 -0.67 0.56 0.99 -0.10 0.00 0.00 175.22 175.80 2k3i s THR 83 N 1.43 4.94 -0.66 0.64 2.01 0.66 -0.24 115.64 124.42 2k3i s THR 83 Ca 0.00 -0.24 0.22 0.00 0.31 0.00 0.00 61.69 61.98 2k3i s THR 83 Cb -0.18 -4.17 -0.25 0.00 0.01 0.00 0.00 72.50 67.91 2k3i s THR 83 CO 0.02 -0.59 0.79 0.49 -0.69 0.00 0.00 174.62 174.64 2k3i n PHE 84 N 5.98 0.02 0.00 4.92 3.72 -0.77 -2.48 117.46 128.85 2k3i n PHE 84 Ca -0.05 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2k3i n PHE 84 Cb 0.47 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2k3i n PHE 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k3i n SER 85 N -1.78 0.00 -4.78 4.37 7.64 -1.06 -4.77 113.62 113.25 2k3i n SER 85 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 2k3i n SER 85 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 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 3.40 0.12 -0.01 0.00 4.15 -1.87 -2.81 115.11 118.09 2k3i h GLN 87 Ca -0.47 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 58.81 2k3i h GLN 87 Cb 1.16 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 2k3i h GLN 87 CO 0.65 0.94 0.00 0.00 -1.93 0.00 0.00 178.83 178.50 2k3i h ALA 88 N 1.00 0.02 -0.54 3.38 0.00 -1.95 0.80 119.26 121.97 2k3i h ALA 88 Ca -0.04 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2k3i h ALA 88 Cb 1.57 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2k3i h ALA 88 CO 0.13 -0.39 0.39 0.93 0.00 0.00 0.00 179.25 180.31 2k3i h GLU 89 N -0.16 0.00 -0.00 0.00 3.07 -1.87 0.09 114.58 115.71 2k3i h GLU 89 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k3i h GLU 89 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2k3i h GLU 89 CO -0.00 0.00 -0.01 1.98 -1.40 0.00 0.00 179.01 179.58 2k3i h MET 90 N 0.00 0.01 -0.15 2.33 4.05 -1.00 -3.11 114.93 117.06 2k3i h MET 90 Ca 0.26 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.54 2k3i h MET 90 Cb 1.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 2k3i h MET 90 CO -0.00 0.77 -0.49 -0.84 0.23 0.00 0.00 176.91 176.58 2k3i h ILE 91 N -0.76 1.33 -0.05 1.77 3.07 -0.35 -1.39 117.51 121.13 2k3i h ILE 91 Ca -0.00 -1.72 -0.06 0.00 1.55 0.00 0.00 64.86 64.63 2k3i h ILE 91 Cb 0.78 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 39.07 2k3i h ILE 91 CO 0.00 0.52 -0.27 0.16 -1.05 0.00 0.00 178.15 177.51 2k3i h ILE 92 N 0.31 1.22 -0.21 0.16 3.07 -1.12 0.95 117.51 121.88 2k3i h ILE 92 Ca 0.02 -1.02 -0.08 0.00 1.55 0.00 0.00 64.86 65.33 2k3i h ILE 92 Cb 0.98 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2k3i h ILE 92 CO 0.08 0.30 -0.16 0.15 -1.05 0.00 0.00 178.15 177.47 2k3i h PHE 93 N 0.07 0.58 0.02 0.16 3.57 -1.36 -2.49 116.94 117.48 2k3i h PHE 93 Ca 0.01 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.37 2k3i h PHE 93 Cb 0.52 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2k3i h PHE 93 CO 0.00 0.81 -0.18 0.93 -2.23 0.00 0.00 178.31 177.65 2k3i h GLU 94 N 0.18 -0.29 -0.84 1.11 4.39 -0.62 -0.25 114.58 118.25 2k3i h GLU 94 Ca 0.04 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.86 2k3i h GLU 94 Cb 0.69 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 2k3i h GLU 94 CO 0.04 -0.19 0.49 -0.07 -1.16 0.00 0.00 179.01 178.12 2k3i h LEU 95 N -0.30 0.70 -0.19 1.33 3.38 -0.85 0.19 115.31 119.57 2k3i h LEU 95 Ca 0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2k3i h LEU 95 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2k3i h LEU 95 CO -0.15 0.40 0.07 0.28 0.09 0.00 0.00 178.44 179.12 2k3i h SER 96 N 0.81 0.27 -0.13 -0.43 0.02 -1.03 -2.40 113.55 110.66 2k3i h SER 96 Ca 0.41 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2k3i h SER 96 Cb 0.38 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k3i h SER 96 CO -0.25 0.38 0.07 -0.07 -1.14 0.00 0.00 176.83 175.81 2k3i h LEU 97 N 0.15 0.17 -0.71 5.07 3.38 -0.07 -2.26 115.31 121.04 2k3i h LEU 97 Ca 0.06 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2k3i h LEU 97 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k3i h LEU 97 CO -0.00 0.23 -0.20 0.03 0.09 0.00 0.00 178.44 178.58 2k3i h ARG 98 N 0.10 0.77 -0.00 1.13 3.08 -0.67 0.19 114.38 118.99 2k3i h ARG 98 Ca 0.05 -0.30 -0.17 0.00 0.07 0.00 0.00 59.98 59.63 2k3i h ARG 98 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2k3i h ARG 98 CO -0.01 0.91 -0.78 0.77 -1.07 0.00 0.00 179.97 179.79 2k3i h SER 99 N 0.68 0.09 0.91 7.04 0.02 -1.42 -2.95 113.55 117.92 2k3i h SER 99 Ca 0.10 -0.07 -0.22 0.00 -0.84 0.00 0.00 61.79 60.76 2k3i h SER 99 Cb 0.71 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2k3i h SER 99 CO 0.05 0.83 -1.09 0.25 -1.14 0.00 0.00 176.83 175.73 2k3i h LEU 100 N 0.04 0.05 -0.33 5.07 5.85 -1.03 -3.19 115.31 121.76 2k3i h LEU 100 Ca -0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2k3i h LEU 100 Cb 1.37 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2k3i h LEU 100 CO 0.11 1.04 -0.03 0.00 -0.34 0.00 0.00 178.44 179.22 2k3i n ALA 101 N -2.39 2.67 0.34 1.25 0.00 0.02 -3.75 120.51 118.65 2k3i n ALA 101 Ca -0.03 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 2k3i n ALA 101 Cb 0.96 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 0.81 -0.83 0.00 0.00 3.38 -1.50 -3.34 115.31 113.83 2k3i h LEU 102 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k3i h LEU 102 Cb 0.25 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k3i h LEU 102 CO 0.00 -0.54 -0.51 -0.62 0.09 0.00 0.00 178.44 176.86 2k3i n GLU 103 N -5.48 0.45 -3.53 1.13 -0.58 -1.26 -4.76 120.64 106.61 2k3i n GLU 103 Ca -0.13 0.53 -0.39 0.00 -0.42 0.00 0.00 57.16 56.76 2k3i n GLU 103 Cb 0.37 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 2k3i n GLU 103 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2k3i n HIS 104 N -4.62 4.53 0.11 -0.32 1.44 -1.25 -4.49 115.22 110.63 2k3i n HIS 104 Ca -0.07 -4.04 0.04 0.00 -2.01 0.00 0.00 57.72 51.63 2k3i n HIS 104 Cb 0.26 -1.31 0.06 0.00 0.12 0.00 0.00 29.99 29.12 2k3i n HIS 104 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2k3i n HIS 105 N 2.38 0.14 -3.25 -1.40 1.44 -1.25 -4.65 115.22 108.63 2k3i n HIS 105 Ca 0.23 -0.23 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 2k3i n HIS 105 Cb 0.38 -0.02 -0.08 0.00 0.12 0.00 0.00 29.99 30.39 2k3i n HIS 105 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k3i s HIS 106 N -0.79 3.20 0.00 -1.40 5.04 -1.26 -5.00 115.29 115.08 2k3i s HIS 106 Ca 0.12 0.29 0.00 0.00 -1.54 0.00 0.00 55.06 53.93 2k3i s HIS 106 Cb 0.07 -2.85 0.00 0.00 0.04 0.00 0.00 32.58 29.84 2k3i s HIS 106 CO 0.10 -0.46 0.00 0.72 -2.34 0.00 0.00 174.74 172.76 2k3i n HIS 107 N 5.66 0.00 -0.02 3.88 8.25 -1.26 -4.97 115.22 126.76 2k3i n HIS 107 Ca -0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 2k3i n HIS 107 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 2k3i n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3i n HIS 108 N -0.03 0.00 1.54 4.41 -0.00 -1.26 -5.21 115.22 114.66 2k3i n HIS 108 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 2k3i n HIS 108 Cb 0.00 -0.13 0.55 0.00 -0.12 0.00 0.00 29.99 30.30 2k3i n HIS 108 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38