#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 n SER 2 N 0.00 2.24 -3.37 3.17 2.88 -1.26 -4.28 113.62 113.00 2k49 n SER 2 Ca 0.00 -2.52 -0.12 0.00 -1.33 0.00 0.00 58.87 54.90 2k49 n SER 2 Cb 0.00 -0.18 0.06 0.00 -0.75 0.00 0.00 64.21 63.34 2k49 n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k49 n GLY 3 N -0.92 0.85 3.74 0.46 0.00 -1.26 -3.83 105.19 104.23 2k49 n GLY 3 Ca 0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 2k49 n GLY 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k49 s TRP 4 N -1.45 -0.16 -0.09 1.61 -2.14 -0.52 -4.74 118.94 111.45 2k49 s TRP 4 Ca 0.35 -0.15 -0.03 0.00 2.66 0.00 0.00 56.10 58.93 2k49 s TRP 4 Cb -0.02 0.64 -0.03 0.00 -3.10 0.00 0.00 33.47 30.96 2k49 s TRP 4 CO 0.23 -0.86 0.02 0.71 -2.66 0.00 0.00 176.95 174.39 2k49 s TYR 5 N -3.37 3.22 -0.21 1.66 2.02 -0.13 -1.03 117.35 119.51 2k49 s TYR 5 Ca 0.11 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.04 2k49 s TYR 5 Cb -0.02 -1.82 0.06 0.00 -0.40 0.00 0.00 41.96 39.78 2k49 s TYR 5 CO 0.02 0.50 -0.02 -1.21 -1.57 0.00 0.00 175.55 173.27 2k49 s GLU 6 N -0.87 1.21 -0.26 -0.62 2.02 -0.15 -0.01 118.70 120.02 2k49 s GLU 6 Ca 0.13 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 54.21 2k49 s GLU 6 Cb -0.11 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2k49 s GLU 6 CO 0.02 -0.60 0.58 -1.17 0.02 0.00 0.00 175.26 174.11 2k49 s LEU 7 N 1.60 4.06 0.17 1.80 2.96 -0.38 -0.96 118.68 127.94 2k49 s LEU 7 Ca -0.03 0.62 0.07 0.00 -0.22 0.00 0.00 54.13 54.57 2k49 s LEU 7 Cb -0.18 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2k49 s LEU 7 CO -0.07 -0.33 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.54 2k49 s SER 8 N 1.51 2.36 0.43 3.68 1.04 -0.16 0.25 113.70 122.81 2k49 s SER 8 Ca 0.24 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.59 2k49 s SER 8 Cb -0.16 -0.11 -0.07 0.00 0.10 0.00 0.00 66.02 65.78 2k49 s SER 8 CO 0.09 -0.16 0.84 -0.75 0.98 0.00 0.00 173.24 174.24 2k49 s LYS 9 N -3.26 3.89 0.54 4.02 2.20 -1.26 -0.94 119.74 124.92 2k49 s LYS 9 Ca 0.17 0.69 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2k49 s LYS 9 Cb -0.02 -2.30 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2k49 s LYS 9 CO 0.05 -0.08 0.38 0.45 -0.36 0.00 0.00 175.35 175.79 2k49 s SER 10 N -2.96 4.62 0.51 1.43 0.15 0.88 -4.87 113.70 113.46 2k49 s SER 10 Ca 0.55 -1.24 0.16 0.00 0.70 0.00 0.00 55.95 56.11 2k49 s SER 10 Cb -0.10 0.37 1.23 0.00 -1.71 0.00 0.00 66.02 65.81 2k49 s SER 10 CO 0.28 -1.07 2.13 0.77 1.20 0.00 0.00 173.24 176.55 2k49 h SER 11 N 0.80 0.00 -0.25 5.45 4.64 -1.99 -0.78 113.55 121.41 2k49 h SER 11 Ca -0.37 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2k49 h SER 11 Cb 1.30 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2k49 h SER 11 CO 0.58 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 177.16 2k49 n ASN 12 N -4.51 2.73 0.00 4.97 3.02 -1.26 -4.85 115.26 115.36 2k49 n ASN 12 Ca -0.03 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 2k49 n ASN 12 Cb 0.11 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 13 N 0.29 -4.67 -2.95 6.41 2.03 -0.30 -4.98 116.55 112.38 2k49 n ASP 13 Ca 0.11 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 2k49 n ASP 13 Cb 0.58 -2.66 0.09 0.00 -0.72 0.00 0.00 41.12 38.40 2k49 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k49 n GLN 14 N -0.22 -0.43 -4.72 -0.67 6.02 -1.26 -4.71 117.38 111.41 2k49 n GLN 14 Ca 0.00 -1.02 -0.24 0.00 -0.01 0.00 0.00 57.00 55.73 2k49 n GLN 14 Cb 0.33 -0.57 -0.15 0.00 1.02 0.00 0.00 30.24 30.87 2k49 n GLN 14 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2k49 s PHE 15 N -2.14 1.48 -0.09 1.08 0.08 0.44 -0.09 117.98 118.73 2k49 s PHE 15 Ca 0.34 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 57.02 2k49 s PHE 15 Cb -0.01 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 2k49 s PHE 15 CO 0.24 -0.01 0.24 -1.59 -0.10 0.00 0.00 175.22 174.00 2k49 s LYS 16 N -0.56 0.25 0.03 0.44 0.00 -0.12 -0.44 119.74 119.35 2k49 s LYS 16 Ca 0.06 0.39 0.03 0.00 0.00 0.00 0.00 55.97 56.45 2k49 s LYS 16 Cb -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 37.83 37.78 2k49 s LYS 16 CO -0.00 -0.07 0.01 -0.59 0.00 0.00 0.00 175.35 174.69 2k49 s PHE 17 N 0.48 3.06 -0.05 1.78 -0.71 -1.26 -0.99 117.98 120.29 2k49 s PHE 17 Ca -0.03 0.05 0.06 0.00 -1.04 0.00 0.00 56.93 55.97 2k49 s PHE 17 Cb -0.04 -1.63 -0.01 0.00 -1.21 0.00 0.00 43.02 40.13 2k49 s PHE 17 CO -0.02 0.47 -0.24 0.14 -1.34 0.00 0.00 175.22 174.23 2k49 s VAL 18 N -1.18 1.93 -0.39 -2.49 -7.23 -0.13 -1.69 120.40 109.22 2k49 s VAL 18 Ca 0.22 -1.01 -0.15 0.00 -1.81 0.00 0.00 61.98 59.23 2k49 s VAL 18 Cb -0.12 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2k49 s VAL 18 CO 0.14 0.54 0.33 -0.22 -0.31 0.00 0.00 175.10 175.58 2k49 s LEU 19 N -0.20 4.86 -0.01 1.32 2.96 0.28 -0.98 118.68 126.90 2k49 s LEU 19 Ca -0.01 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.13 2k49 s LEU 19 Cb -0.13 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 2k49 s LEU 19 CO 0.03 -0.43 0.30 -0.54 -1.32 0.00 0.00 176.35 174.39 2k49 s LYS 20 N 1.84 3.67 0.89 1.98 1.02 -0.19 -1.02 119.74 127.93 2k49 s LYS 20 Ca 0.08 0.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 2k49 s LYS 20 Cb -0.18 -3.13 0.19 0.00 -0.52 0.00 0.00 37.83 34.19 2k49 s LYS 20 CO 0.11 0.67 1.22 0.00 -0.92 0.00 0.00 175.35 176.43 2k49 s ALA 21 N -1.20 2.76 0.21 5.17 0.00 -0.02 -1.43 121.76 127.25 2k49 s ALA 21 Ca 0.25 -1.47 0.24 0.00 0.00 0.00 0.00 51.96 50.99 2k49 s ALA 21 Cb -0.14 -2.46 1.33 0.00 0.00 0.00 0.00 23.12 21.85 2k49 s ALA 21 CO 0.13 -2.15 1.72 0.78 0.00 0.00 0.00 175.76 176.24 2k49 h GLY 22 N -1.28 0.00 0.25 0.00 0.00 -1.74 0.20 103.07 100.49 2k49 h GLY 22 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2k49 h GLY 22 CO 0.36 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.89 2k49 n ASN 23 N -2.47 0.49 -1.76 0.19 5.15 -1.26 -4.68 115.26 110.92 2k49 n ASN 23 Ca -0.02 -1.43 -0.14 0.00 -0.60 0.00 0.00 54.58 52.39 2k49 n ASN 23 Cb 0.22 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k49 n GLY 24 N 0.93 -0.18 3.11 8.20 0.00 0.71 -5.02 105.19 112.94 2k49 n GLY 24 Ca 0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2k49 n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k49 s GLU 25 N -4.91 1.38 -0.20 1.61 2.12 -1.25 -4.91 118.70 112.55 2k49 s GLU 25 Ca 0.07 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 2k49 s GLU 25 Cb -0.03 -1.28 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 2k49 s GLU 25 CO 0.09 0.27 1.50 0.08 -0.54 0.00 0.00 175.26 176.66 2k49 s VAL 26 N -0.15 3.87 -0.18 3.70 1.01 -1.26 -0.84 120.40 126.54 2k49 s VAL 26 Ca 0.01 1.00 0.18 0.00 0.00 0.00 0.00 61.98 63.17 2k49 s VAL 26 Cb -0.08 -3.81 -0.25 0.00 0.00 0.00 0.00 36.38 32.23 2k49 s VAL 26 CO 0.00 -0.27 0.13 2.30 0.00 0.00 0.00 175.10 177.26 2k49 n ILE 27 N 6.06 1.34 -4.50 2.22 -5.35 -0.18 -4.88 119.36 114.07 2k49 n ILE 27 Ca 0.17 -0.84 -0.29 0.00 -0.27 0.00 0.00 62.75 61.53 2k49 n ILE 27 Cb 0.45 -0.48 -0.17 0.00 -1.74 0.00 0.00 39.64 37.71 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -5.48 1.75 -0.16 7.28 2.01 -1.11 -3.78 118.68 119.18 2k49 s LEU 28 Ca -0.10 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.63 2k49 s LEU 28 Cb 0.07 -1.10 0.01 0.00 0.01 0.00 0.00 46.19 45.18 2k49 s LEU 28 CO 0.83 0.02 -0.20 -0.89 1.01 0.00 0.00 176.35 177.12 2k49 s THR 29 N 0.94 2.11 0.81 5.49 2.01 0.59 -0.56 115.64 127.04 2k49 s THR 29 Ca -0.07 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 2k49 s THR 29 Cb -0.15 -1.87 0.16 0.00 0.01 0.00 0.00 72.50 70.65 2k49 s THR 29 CO -0.01 0.54 1.12 -0.55 -0.69 0.00 0.00 174.62 175.03 2k49 s SER 30 N 1.08 3.89 0.00 3.53 0.15 -0.68 -0.17 113.70 121.50 2k49 s SER 30 Ca -0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2k49 s SER 30 Cb -0.14 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2k49 s SER 30 CO -0.08 -2.19 0.00 -1.84 1.20 0.00 0.00 173.24 170.34 2k49 n GLU 31 N -3.17 3.52 -2.58 5.44 0.28 -1.26 -4.66 120.64 118.20 2k49 n GLU 31 Ca 0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.72 2k49 n GLU 31 Cb 0.60 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.45 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k49 s LEU 32 N 0.00 3.83 -0.07 -1.84 1.43 -1.26 -4.25 118.68 116.52 2k49 s LEU 32 Ca 0.00 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2k49 s LEU 32 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2k49 s LEU 32 CO 0.00 -1.03 0.09 -0.31 0.23 0.00 0.00 176.35 175.33 2k49 s TYR 33 N 4.06 3.39 -0.78 0.29 1.51 0.41 -4.91 117.35 121.32 2k49 s TYR 33 Ca 0.49 0.33 0.26 0.00 -1.01 0.00 0.00 57.07 57.14 2k49 s TYR 33 Cb -0.12 -1.83 0.82 0.00 -0.11 0.00 0.00 41.96 40.72 2k49 s TYR 33 CO 0.22 0.61 1.74 0.25 -1.11 0.00 0.00 175.55 177.25 2k49 n THR 34 N 1.70 0.43 -4.14 -0.71 -2.24 -1.26 -0.42 114.28 107.63 2k49 n THR 34 Ca -0.17 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2k49 n THR 34 Cb 0.54 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 2k49 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k49 s GLY 35 N -3.46 0.39 0.29 3.38 0.00 -1.26 -4.87 107.32 101.79 2k49 s GLY 35 Ca 0.11 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2k49 s GLY 35 CO 0.60 -0.47 1.75 1.70 0.00 0.00 0.00 173.10 176.68 2k49 h LYS 36 N 5.36 0.54 -0.18 2.90 3.64 -1.97 -2.61 116.57 124.25 2k49 h LYS 36 Ca -0.32 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 2k49 h LYS 36 Cb 1.19 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 2k49 h LYS 36 CO 0.46 0.69 -0.06 1.03 -2.27 0.00 0.00 179.45 179.30 2k49 h SER 37 N 0.49 -0.21 -0.21 4.20 0.87 -1.99 0.10 113.55 116.81 2k49 h SER 37 Ca 0.08 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2k49 h SER 37 Cb 0.58 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2k49 h SER 37 CO 0.04 -0.08 -0.18 1.23 -0.53 0.00 0.00 176.83 177.31 2k49 h GLY 38 N -0.02 0.69 1.00 5.77 0.00 -1.96 0.16 103.07 108.70 2k49 h GLY 38 Ca 0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2k49 h GLY 38 CO -0.20 0.50 -0.11 0.00 0.00 0.00 0.00 176.54 176.72 2k49 h ALA 39 N 1.23 -0.32 -0.78 3.60 0.00 -1.04 0.11 119.26 122.06 2k49 h ALA 39 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k49 h ALA 39 Cb 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2k49 h ALA 39 CO 0.04 -0.68 0.30 0.52 0.00 0.00 0.00 179.25 179.44 2k49 h MET 40 N -0.32 1.17 -0.88 0.00 2.86 -0.74 -1.57 114.93 115.45 2k49 h MET 40 Ca -0.03 -0.22 0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2k49 h MET 40 Cb 0.25 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 31.62 2k49 h MET 40 CO 0.05 0.95 0.45 -0.97 1.06 0.00 0.00 176.91 178.46 2k49 h ASN 41 N 1.14 0.53 -0.82 1.22 -0.00 -0.45 0.27 115.58 117.48 2k49 h ASN 41 Ca 0.26 0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.65 2k49 h ASN 41 Cb 0.22 0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.53 2k49 h ASN 41 CO -0.02 0.19 0.46 1.23 -0.00 0.00 0.00 177.43 179.29 2k49 h GLY 42 N 0.61 1.21 0.98 1.57 0.00 -0.05 -2.12 103.07 105.28 2k49 h GLY 42 Ca 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k49 h GLY 42 CO -0.39 0.52 0.07 -2.22 0.00 0.00 0.00 176.54 174.52 2k49 h ILE 43 N 1.13 1.04 -0.88 2.60 2.04 0.27 0.10 117.51 123.82 2k49 h ILE 43 Ca 0.29 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 66.13 2k49 h ILE 43 Cb 0.02 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2k49 h ILE 43 CO -0.05 0.04 0.57 -0.33 0.00 0.00 0.00 178.15 178.38 2k49 h GLU 44 N 0.13 0.89 -0.70 2.37 5.08 -0.97 -0.39 114.58 120.99 2k49 h GLU 44 Ca 0.04 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2k49 h GLU 44 Cb 0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2k49 h GLU 44 CO -0.01 0.59 0.15 0.77 -1.00 0.00 0.00 179.01 179.51 2k49 h SER 45 N 0.91 1.08 -0.15 1.42 0.02 -0.63 -1.53 113.55 114.68 2k49 h SER 45 Ca 0.40 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2k49 h SER 45 Cb 0.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2k49 h SER 45 CO -0.16 1.04 0.09 0.58 -1.14 0.00 0.00 176.83 177.24 2k49 h VAL 46 N 1.06 1.07 -0.68 2.27 2.07 0.45 0.16 116.25 122.65 2k49 h VAL 46 Ca 0.22 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.69 2k49 h VAL 46 Cb 0.40 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2k49 h VAL 46 CO 0.01 0.06 0.45 1.56 0.02 0.00 0.00 177.57 179.67 2k49 h GLN 47 N 0.17 0.46 -0.04 1.57 4.20 -0.97 0.32 115.11 120.82 2k49 h GLN 47 Ca 0.05 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.50 2k49 h GLN 47 Cb 0.02 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.71 2k49 h GLN 47 CO -0.01 0.31 -0.93 1.15 -0.67 0.00 0.00 178.83 178.68 2k49 h THR 48 N 0.48 1.32 0.00 -0.54 2.02 -0.66 -3.34 112.91 112.19 2k49 h THR 48 Ca 0.32 -2.22 -0.20 0.00 0.77 0.00 0.00 66.41 65.08 2k49 h THR 48 Cb 0.60 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 2k49 h THR 48 CO -0.10 0.68 -0.99 0.78 0.37 0.00 0.00 175.52 176.26 2k49 h ASN 49 N 0.38 0.00 -0.69 4.18 2.35 0.19 -3.35 115.58 118.64 2k49 h ASN 49 Ca -0.09 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.80 2k49 h ASN 49 Cb 1.56 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.80 2k49 h ASN 49 CO 0.18 0.89 -0.16 -1.28 -1.65 0.00 0.00 177.43 175.40 2k49 h SER 50 N 0.00 -0.62 1.38 5.81 0.87 -0.52 0.25 113.55 120.73 2k49 h SER 50 Ca -0.04 0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2k49 h SER 50 Cb 1.71 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 64.09 2k49 h SER 50 CO 0.11 -0.22 -0.21 1.55 -0.53 0.00 0.00 176.83 177.52 2k49 h PRO 51 N 0.00 0.00 -4.43 2.24 0.13 -1.79 -3.42 132.00 124.74 2k49 h PRO 51 Ca 0.33 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.73 2k49 h PRO 51 Cb 0.51 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.42 2k49 h PRO 51 CO -0.70 0.21 0.36 0.42 -0.23 0.00 0.00 178.00 178.06 2k49 s ILE 52 N -3.34 5.13 0.29 -3.56 1.01 0.89 -4.92 121.20 116.71 2k49 s ILE 52 Ca 0.03 -1.85 0.04 0.00 0.00 0.00 0.00 60.65 58.87 2k49 s ILE 52 Cb 0.08 -4.58 0.29 0.00 0.01 0.00 0.00 42.46 38.26 2k49 s ILE 52 CO 0.66 -1.22 1.80 -0.08 0.00 0.00 0.00 174.94 176.11 2k49 h GLU 53 N 8.45 0.85 -0.02 2.79 4.81 -1.80 -2.83 114.58 126.83 2k49 h GLU 53 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k49 h GLU 53 Cb 1.04 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2k49 h GLU 53 CO 0.95 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 179.80 2k49 n ALA 54 N -2.34 1.82 0.16 2.92 0.00 -1.26 -1.91 120.51 119.90 2k49 n ALA 54 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2k49 n ALA 54 Cb 0.47 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 19.07 2k49 n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k49 n ARG 55 N -0.45 2.12 -2.58 0.00 5.12 -1.07 -5.00 116.66 114.80 2k49 n ARG 55 Ca 0.00 -1.93 -0.24 0.00 -1.93 0.00 0.00 57.85 53.75 2k49 n ARG 55 Cb 0.01 -1.36 0.03 0.00 -1.16 0.00 0.00 32.46 29.98 2k49 n ARG 55 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2k49 s TYR 56 N -1.16 3.06 -0.28 -1.55 1.13 -0.80 -2.04 117.35 115.71 2k49 s TYR 56 Ca 0.27 0.30 0.02 0.00 -1.41 0.00 0.00 57.07 56.25 2k49 s TYR 56 Cb 0.16 -2.72 0.08 0.00 -1.10 0.00 0.00 41.96 38.38 2k49 s TYR 56 CO 0.22 -0.83 -0.00 0.00 -2.51 0.00 0.00 175.55 172.42 2k49 s ALA 57 N -2.86 2.26 -0.05 9.51 0.00 0.23 -4.88 121.76 125.96 2k49 s ALA 57 Ca 0.55 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2k49 s ALA 57 Cb -0.10 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2k49 s ALA 57 CO 0.41 -1.42 1.06 0.21 0.00 0.00 0.00 175.76 176.01 2k49 s LYS 58 N 1.24 4.44 -0.11 0.00 2.47 -1.26 -1.43 119.74 125.09 2k49 s LYS 58 Ca 0.02 1.49 -0.30 0.00 -1.56 0.00 0.00 55.97 55.62 2k49 s LYS 58 Cb -0.19 -3.51 0.09 0.00 -1.46 0.00 0.00 37.83 32.77 2k49 s LYS 58 CO -0.10 -0.27 0.79 -2.00 0.16 0.00 0.00 175.35 173.94 2k49 s GLU 59 N 1.71 0.88 -0.03 4.03 2.12 -1.18 -5.01 118.70 121.22 2k49 s GLU 59 Ca 0.52 0.30 0.07 0.00 0.36 0.00 0.00 54.97 56.21 2k49 s GLU 59 Cb -0.21 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 2k49 s GLU 59 CO 0.22 -0.26 -0.24 0.08 -0.54 0.00 0.00 175.26 174.52 2k49 s VAL 60 N -0.98 1.93 0.49 3.70 1.01 -1.26 -2.15 120.40 123.15 2k49 s VAL 60 Ca -0.07 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 2k49 s VAL 60 Cb -0.01 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 2k49 s VAL 60 CO 0.06 0.54 0.95 0.00 0.00 0.00 0.00 175.10 176.66 2k49 s ALA 61 N -0.41 3.11 0.25 5.51 0.00 -0.28 -4.95 121.76 125.00 2k49 s ALA 61 Ca 0.04 0.13 0.35 0.00 0.00 0.00 0.00 51.96 52.48 2k49 s ALA 61 Cb -0.11 -3.05 1.82 0.00 0.00 0.00 0.00 23.12 21.78 2k49 s ALA 61 CO 0.01 -0.18 2.07 0.87 0.00 0.00 0.00 175.76 178.52 2k49 h LYS 62 N 1.01 0.00 -0.34 0.00 1.57 -2.01 0.09 116.57 116.89 2k49 h LYS 62 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2k49 h LYS 62 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2k49 h LYS 62 CO 0.62 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.59 2k49 n ASN 63 N -2.78 0.87 -0.99 0.86 3.02 -1.26 -4.85 115.26 110.13 2k49 n ASN 63 Ca -0.02 -2.04 -0.13 0.00 -0.03 0.00 0.00 54.58 52.37 2k49 n ASN 63 Cb 0.11 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 64 N -0.11 -4.76 -4.47 6.41 8.00 0.02 -4.98 116.55 116.65 2k49 n ASP 64 Ca 0.04 0.32 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 2k49 n ASP 64 Cb 0.17 -3.40 -0.07 0.00 -0.02 0.00 0.00 41.12 37.80 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k49 s LYS 65 N -3.04 3.14 0.17 -1.24 1.02 -1.23 -4.81 119.74 113.75 2k49 s LYS 65 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2k49 s LYS 65 Cb 0.00 -4.01 -0.07 0.00 -0.52 0.00 0.00 37.83 33.22 2k49 s LYS 65 CO 0.00 -1.01 1.04 -1.25 -0.92 0.00 0.00 175.35 173.21 2k49 s PRO 66 N 2.41 4.66 0.22 -1.68 0.04 -1.22 -1.13 135.00 138.30 2k49 s PRO 66 Ca 0.15 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 2k49 s PRO 66 Cb -0.17 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.08 2k49 s PRO 66 CO 0.14 0.18 0.36 2.48 0.04 0.00 0.00 177.00 180.20 2k49 n TYR 67 N 2.32 -1.32 -3.64 0.56 4.11 -0.91 -3.48 117.16 114.80 2k49 n TYR 67 Ca 0.02 -1.33 -0.16 0.00 -0.00 0.00 0.00 57.90 56.44 2k49 n TYR 67 Cb 0.47 0.41 -0.07 0.00 -0.00 0.00 0.00 39.34 40.15 2k49 n TYR 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 2k49 s PHE 68 N -4.15 -0.43 0.13 -3.48 -0.71 -1.26 -3.09 117.98 104.99 2k49 s PHE 68 Ca 0.15 0.73 0.04 0.00 -1.04 0.00 0.00 56.93 56.81 2k49 s PHE 68 Cb -0.01 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 2k49 s PHE 68 CO 0.11 -0.50 0.11 -0.80 -1.34 0.00 0.00 175.22 172.80 2k49 s ASN 69 N -1.22 5.49 -0.19 1.98 -0.87 -0.52 -1.23 114.94 118.38 2k49 s ASN 69 Ca -0.12 -0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.05 2k49 s ASN 69 Cb -0.03 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.25 39.76 2k49 s ASN 69 CO 0.07 0.11 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.41 2k49 s LEU 70 N -2.82 2.81 0.07 0.60 2.96 0.41 0.75 118.68 123.46 2k49 s LEU 70 Ca 0.30 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 2k49 s LEU 70 Cb -0.11 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2k49 s LEU 70 CO 0.23 0.05 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.53 2k49 s LYS 71 N 1.04 1.79 0.93 1.98 1.02 -0.86 -1.47 119.74 124.16 2k49 s LYS 71 Ca 0.00 -1.13 -0.15 0.00 0.02 0.00 0.00 55.97 54.71 2k49 s LYS 71 Cb -0.15 -2.02 0.17 0.00 -0.52 0.00 0.00 37.83 35.31 2k49 s LYS 71 CO -0.01 0.50 1.29 0.00 -0.92 0.00 0.00 175.35 176.21 2k49 s ALA 72 N -0.91 2.34 0.36 5.17 0.00 -0.53 -4.76 121.76 123.44 2k49 s ALA 72 Ca 0.13 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2k49 s ALA 72 Cb -0.10 -2.81 0.77 0.00 0.00 0.00 0.00 23.12 20.98 2k49 s ALA 72 CO 0.04 -2.26 1.94 0.00 0.00 0.00 0.00 175.76 175.48 2k49 h ALA 73 N -1.50 1.75 0.00 0.00 0.00 -1.95 0.21 119.26 117.76 2k49 h ALA 73 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k49 h ALA 73 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k49 h ALA 73 CO 0.44 0.10 0.00 -1.71 0.00 0.00 0.00 179.25 178.08 2k49 n ASN 74 N -4.50 0.00 -0.22 0.00 5.15 -1.26 -4.85 115.26 109.58 2k49 n ASN 74 Ca 0.12 -1.25 -0.03 0.00 -0.60 0.00 0.00 54.58 52.83 2k49 n ASN 74 Cb 0.30 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.53 2k49 n ASN 74 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2k49 n HIS 75 N -0.77 0.00 -2.85 1.20 8.25 0.72 -5.02 115.22 116.74 2k49 n HIS 75 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 2k49 n HIS 75 Cb 0.05 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.22 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2k49 s GLN 76 N -1.79 4.57 -0.39 -0.41 -2.07 -1.25 -4.78 119.66 113.53 2k49 s GLN 76 Ca 0.00 1.26 -0.29 0.00 -1.82 0.00 0.00 55.36 54.51 2k49 s GLN 76 Cb 0.00 -2.95 0.00 0.00 -1.09 0.00 0.00 33.01 28.98 2k49 s GLN 76 CO 0.00 0.37 1.51 0.42 -1.32 0.00 0.00 175.29 176.27 2k49 s ILE 77 N -1.47 3.79 -0.34 3.63 -1.09 -1.26 -1.45 121.20 123.01 2k49 s ILE 77 Ca 0.46 0.81 0.14 0.00 -2.23 0.00 0.00 60.65 59.82 2k49 s ILE 77 Cb -0.20 -4.07 -0.18 0.00 -1.58 0.00 0.00 42.46 36.43 2k49 s ILE 77 CO 0.25 -0.68 0.44 2.30 -1.23 0.00 0.00 174.94 176.02 2k49 n ILE 78 N 7.17 0.00 -3.48 2.92 -5.35 -0.54 -4.89 119.36 115.20 2k49 n ILE 78 Ca 0.18 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.27 2k49 n ILE 78 Cb 0.48 0.61 -0.04 0.00 -1.74 0.00 0.00 39.64 38.95 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -2.91 -0.57 -0.11 3.28 0.00 -0.68 -4.52 107.32 101.81 2k49 s GLY 79 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 2k49 s GLY 79 CO 0.57 0.42 0.23 -1.59 0.00 0.00 0.00 173.10 172.73 2k49 s THR 80 N -2.79 -0.26 0.91 0.90 2.01 0.76 -0.44 115.64 116.74 2k49 s THR 80 Ca -0.03 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2k49 s THR 80 Cb -0.01 -0.39 0.14 0.00 0.01 0.00 0.00 72.50 72.26 2k49 s THR 80 CO -0.04 0.10 1.15 -0.55 -0.69 0.00 0.00 174.62 174.59 2k49 s SER 81 N 1.97 3.49 0.40 3.53 0.15 -0.37 -0.30 113.70 122.58 2k49 s SER 81 Ca -0.02 0.90 -0.09 0.00 0.70 0.00 0.00 55.95 57.44 2k49 s SER 81 Cb -0.11 -1.43 -0.06 0.00 -1.71 0.00 0.00 66.02 62.71 2k49 s SER 81 CO -0.08 -2.56 0.75 -1.10 1.20 0.00 0.00 173.24 171.45 2k49 s GLN 82 N -5.34 3.71 -1.20 5.44 -0.21 -1.25 -4.76 119.66 116.05 2k49 s GLN 82 Ca 0.64 0.36 -0.20 0.00 0.02 0.00 0.00 55.36 56.18 2k49 s GLN 82 Cb -0.14 -2.42 0.06 0.00 1.00 0.00 0.00 33.01 31.51 2k49 s GLN 82 CO 0.53 -0.04 1.66 -1.64 -2.12 0.00 0.00 175.29 173.68 2k49 s MET 83 N -3.98 3.79 0.66 2.91 -1.94 -1.26 -4.68 119.30 114.80 2k49 s MET 83 Ca 0.50 -1.67 -0.17 0.00 -1.71 0.00 0.00 55.69 52.63 2k49 s MET 83 Cb -0.10 -5.47 0.00 0.00 2.01 0.00 0.00 34.83 31.27 2k49 s MET 83 CO 0.34 -2.33 1.22 0.71 -0.01 0.00 0.00 175.02 174.96 2k49 s TYR 84 N 4.80 2.19 -0.82 -0.03 2.02 -1.23 -4.91 117.35 119.37 2k49 s TYR 84 Ca 0.52 1.54 0.15 0.00 -0.37 0.00 0.00 57.07 58.92 2k49 s TYR 84 Cb 0.02 -3.52 0.71 0.00 -0.40 0.00 0.00 41.96 38.78 2k49 s TYR 84 CO 0.03 -2.52 1.61 0.43 -1.57 0.00 0.00 175.55 173.52 2k49 n SER 85 N -2.14 4.86 -3.66 2.29 7.64 -1.26 -3.41 113.62 117.93 2k49 n SER 85 Ca 0.14 -2.60 -0.14 0.00 1.01 0.00 0.00 58.87 57.29 2k49 n SER 85 Cb 0.50 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 63.01 2k49 n SER 85 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k49 s SER 86 N -0.80 -0.66 0.34 6.43 1.04 -1.26 -5.01 113.70 113.77 2k49 s SER 86 Ca 0.49 1.27 0.02 0.00 0.48 0.00 0.00 55.95 58.21 2k49 s SER 86 Cb 0.34 1.29 0.60 0.00 0.10 0.00 0.00 66.02 68.35 2k49 s SER 86 CO 0.20 -0.22 1.98 0.71 0.98 0.00 0.00 173.24 176.89 2k49 h THR 87 N 4.17 1.13 -0.05 2.02 1.35 -1.92 -2.14 112.91 117.48 2k49 h THR 87 Ca -0.28 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2k49 h THR 87 Cb 1.17 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2k49 h THR 87 CO 0.11 0.17 0.03 0.00 -0.25 0.00 0.00 175.52 175.58 2k49 h ALA 88 N 1.57 0.06 -0.57 6.62 0.00 -1.98 0.25 119.26 125.20 2k49 h ALA 88 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2k49 h ALA 88 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2k49 h ALA 88 CO -0.08 -0.42 0.26 0.00 0.00 0.00 0.00 179.25 179.02 2k49 h ALA 89 N 0.98 0.74 -0.75 0.00 0.00 -1.92 -0.18 119.26 118.14 2k49 h ALA 89 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k49 h ALA 89 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2k49 h ALA 89 CO -0.00 0.32 0.29 -0.09 0.00 0.00 0.00 179.25 179.76 2k49 h ARG 90 N 0.78 1.12 0.22 0.00 1.12 -1.27 0.73 114.38 117.09 2k49 h ARG 90 Ca 0.20 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2k49 h ARG 90 Cb 0.14 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 2k49 h ARG 90 CO -0.02 0.93 -0.11 0.22 -3.11 0.00 0.00 179.97 177.88 2k49 h ASP 91 N 1.08 -0.25 -0.17 -3.80 3.58 -0.08 -0.31 116.42 116.47 2k49 h ASP 91 Ca 0.25 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2k49 h ASP 91 Cb 0.23 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2k49 h ASP 91 CO -0.02 -0.07 0.13 0.78 -2.88 0.00 0.00 179.24 177.18 2k49 h ASN 92 N -0.43 0.00 -0.27 2.28 2.35 -0.98 -0.88 115.58 117.66 2k49 h ASN 92 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2k49 h ASN 92 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2k49 h ASN 92 CO 0.05 0.00 0.15 1.23 -1.65 0.00 0.00 177.43 177.21 2k49 h GLY 93 N 0.00 0.40 1.00 2.83 0.00 -0.00 0.14 103.07 107.43 2k49 h GLY 93 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2k49 h GLY 93 CO -0.00 0.17 0.31 -2.22 0.00 0.00 0.00 176.54 174.80 2k49 h ILE 94 N 0.32 1.14 -0.83 2.60 2.04 0.22 -0.35 117.51 122.65 2k49 h ILE 94 Ca 0.09 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.77 2k49 h ILE 94 Cb 0.05 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 2k49 h ILE 94 CO -0.02 0.14 0.46 0.11 0.00 0.00 0.00 178.15 178.85 2k49 h LYS 95 N 0.66 0.73 -0.64 2.37 6.56 -1.13 -0.25 116.57 124.87 2k49 h LYS 95 Ca 0.18 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 2k49 h LYS 95 Cb -0.04 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.43 2k49 h LYS 95 CO -0.04 0.48 0.36 0.77 -2.06 0.00 0.00 179.45 178.96 2k49 h SER 96 N 0.75 0.78 -0.31 0.86 0.02 -0.04 -2.12 113.55 113.49 2k49 h SER 96 Ca 0.42 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2k49 h SER 96 Cb 0.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2k49 h SER 96 CO -0.28 0.62 -0.25 0.58 -1.14 0.00 0.00 176.83 176.37 2k49 h VAL 97 N 0.89 1.27 -0.49 2.27 2.07 0.40 0.41 116.25 123.06 2k49 h VAL 97 Ca 0.23 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2k49 h VAL 97 Cb 0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2k49 h VAL 97 CO -0.04 0.46 0.04 0.24 0.02 0.00 0.00 177.57 178.29 2k49 h MET 98 N 0.69 0.80 0.00 1.57 2.07 -0.54 0.00 114.93 119.53 2k49 h MET 98 Ca 0.09 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.43 2k49 h MET 98 Cb 0.77 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.39 2k49 h MET 98 CO 0.06 0.78 -0.94 0.39 1.07 0.00 0.00 176.91 178.27 2k49 n GLU 99 N -4.23 0.50 0.20 1.72 1.02 -0.85 -4.52 120.64 114.49 2k49 n GLU 99 Ca 0.03 0.45 0.10 0.00 -0.02 0.00 0.00 57.16 57.72 2k49 n GLU 99 Cb 0.28 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 30.20 2k49 n GLU 99 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2k49 h ASN 100 N -1.00 0.00 0.04 1.62 2.35 -0.32 -3.32 115.58 114.95 2k49 h ASN 100 Ca -0.13 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2k49 h ASN 100 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2k49 h ASN 100 CO -0.08 0.11 -0.34 1.23 -1.65 0.00 0.00 177.43 176.71 2k49 h GLY 101 N 3.88 0.46 -1.73 2.83 0.00 -0.84 -3.03 103.07 104.64 2k49 h GLY 101 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2k49 h GLY 101 CO 0.01 0.37 0.02 0.58 0.00 0.00 0.00 176.54 177.53 2k49 n LYS 102 N -4.07 1.14 -2.56 4.80 2.85 -1.25 -4.54 118.16 114.53 2k49 n LYS 102 Ca -0.01 -0.18 -0.35 0.00 -1.05 0.00 0.00 58.31 56.72 2k49 n LYS 102 Cb 0.45 -1.26 -0.04 0.00 -0.65 0.00 0.00 35.03 33.53 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2k49 s THR 103 N -0.56 3.79 -1.55 0.58 -1.32 -1.14 -4.97 115.64 110.46 2k49 s THR 103 Ca 0.03 1.23 0.17 0.00 -1.21 0.00 0.00 61.69 61.91 2k49 s THR 103 Cb 0.03 -3.57 0.45 0.00 -1.51 0.00 0.00 72.50 67.90 2k49 s THR 103 CO 0.01 -0.13 1.37 0.35 -2.21 0.00 0.00 174.62 174.01 2k49 n THR 104 N -0.52 0.90 -2.93 5.08 -2.24 -1.26 -4.91 114.28 108.40 2k49 n THR 104 Ca 0.07 -0.95 -0.43 0.00 -2.27 0.00 0.00 64.05 60.47 2k49 n THR 104 Cb 0.51 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2k49 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k49 s THR 105 N -1.05 4.50 -0.19 4.28 2.01 -1.26 -5.03 115.64 118.90 2k49 s THR 105 Ca 0.35 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.18 2k49 s THR 105 Cb 0.19 -4.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 2k49 s THR 105 CO 0.25 -1.14 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.37 2k49 s ILE 106 N 3.62 3.60 -0.25 1.82 1.01 -1.26 -0.96 121.20 128.79 2k49 s ILE 106 Ca 0.24 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 2k49 s ILE 106 Cb -0.16 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.71 2k49 s ILE 106 CO 0.14 0.45 -0.03 -0.54 0.00 0.00 0.00 174.94 174.96 2k49 s LYS 107 N 0.99 3.03 -0.30 2.79 1.02 0.99 -4.97 119.74 123.28 2k49 s LYS 107 Ca 0.00 -0.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.89 2k49 s LYS 107 Cb -0.15 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2k49 s LYS 107 CO 0.01 -0.36 0.83 0.34 -0.92 0.00 0.00 175.35 175.25 2k49 s ASP 108 N 1.40 6.71 0.00 2.83 -1.08 -1.26 -1.25 116.67 124.02 2k49 s ASP 108 Ca 0.02 0.74 0.19 0.00 -0.52 0.00 0.00 52.55 52.98 2k49 s ASP 108 Cb -0.16 -2.43 0.29 0.00 -1.46 0.00 0.00 42.92 39.16 2k49 s ASP 108 CO -0.03 -0.64 1.23 0.18 0.52 0.00 0.00 175.17 176.43 2k49 n LEU 109 N 6.27 2.97 0.07 -1.34 4.77 0.14 -4.51 117.00 125.36 2k49 n LEU 109 Ca 0.05 -1.35 -0.13 0.00 -0.03 0.00 0.00 56.01 54.55 2k49 n LEU 109 Cb 0.48 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 2k49 n LEU 109 CO 0.51 0.61 -0.11 0.71 -1.33 0.00 0.00 177.39 177.78 2k49 h THR 110 N 3.72 1.41 0.00 -5.08 1.35 -1.87 -3.22 112.91 109.22 2k49 h THR 110 Ca 0.00 -3.06 -0.05 0.00 -0.55 0.00 0.00 66.41 62.75 2k49 h THR 110 Cb 0.84 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 2k49 h THR 110 CO 0.00 0.86 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.83 2k49 h LEU 111 N 0.05 0.00 -8.55 3.87 3.38 -1.91 -3.41 115.31 108.74 2k49 h LEU 111 Ca -0.14 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.27 2k49 h LEU 111 Cb 1.93 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 2k49 h LEU 111 CO 0.16 0.24 0.91 -1.61 0.09 0.00 0.00 178.44 178.22 2k49 s GLU 112 N -4.10 3.46 -1.21 1.13 2.02 -1.22 -4.94 118.70 113.84 2k49 s GLU 112 Ca -0.02 0.12 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 2k49 s GLU 112 Cb 0.13 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.31 2k49 s GLU 112 CO 0.65 -1.68 1.93 1.58 0.02 0.00 0.00 175.26 177.76 2k49 n HIS 113 N 8.33 3.40 -3.73 1.61 -0.00 -1.26 -4.85 115.22 118.72 2k49 n HIS 113 Ca 0.07 -2.32 -0.28 0.00 -0.00 0.00 0.00 57.72 55.19 2k49 n HIS 113 Cb 0.49 -2.45 -0.16 0.00 -0.00 0.00 0.00 29.99 27.87 2k49 n HIS 113 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k49 s HIS 114 N 5.93 1.17 0.25 1.57 5.04 -1.26 -5.13 115.29 122.86 2k49 s HIS 114 Ca 0.57 -1.05 -0.30 0.00 -1.54 0.00 0.00 55.06 52.74 2k49 s HIS 114 Cb 0.07 -1.16 -0.09 0.00 0.04 0.00 0.00 32.58 31.44 2k49 s HIS 114 CO 0.07 -0.68 0.95 -3.38 -2.34 0.00 0.00 174.74 169.36 2k49 s HIS 115 N 1.81 3.95 -0.49 3.88 -3.43 -1.26 -5.01 115.29 114.73 2k49 s HIS 115 Ca 0.01 1.90 -0.23 0.00 -0.80 0.00 0.00 55.06 55.94 2k49 s HIS 115 Cb -0.17 -2.99 0.04 0.00 -1.43 0.00 0.00 32.58 28.02 2k49 s HIS 115 CO -0.12 0.39 0.80 -1.58 -2.00 0.00 0.00 174.74 172.23 2k49 s HIS 116 N -1.21 2.94 -0.08 0.38 2.46 -1.26 -5.02 115.29 113.49 2k49 s HIS 116 Ca 0.42 -0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.91 2k49 s HIS 116 Cb -0.26 -3.76 0.02 0.00 -0.13 0.00 0.00 32.58 28.46 2k49 s HIS 116 CO 0.32 -1.11 -0.05 -1.58 -2.47 0.00 0.00 174.74 169.84 2k49 s HIS 117 N 3.37 1.11 -2.00 3.88 5.04 -1.26 -5.26 115.29 120.17 2k49 s HIS 117 Ca 0.27 -0.45 0.27 0.00 -1.54 0.00 0.00 55.06 53.61 2k49 s HIS 117 Cb -0.14 -0.99 1.64 0.00 0.04 0.00 0.00 32.58 33.13 2k49 s HIS 117 CO 0.19 -0.38 1.98 1.58 -2.34 0.00 0.00 174.74 175.78