#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 s SER 2 N 0.00 6.17 0.00 6.12 0.01 -1.26 -4.86 113.70 119.89 2k49 s SER 2 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2k49 s SER 2 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2k49 s SER 2 CO 0.00 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2k49 n GLY 3 N 5.10 2.34 3.52 3.44 0.00 -1.26 -4.62 105.19 113.71 2k49 n GLY 3 Ca -0.08 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 -0.45 0.02 1.61 -2.14 -0.39 -4.71 118.94 112.89 2k49 s TRP 4 Ca 0.00 0.19 0.01 0.00 2.66 0.00 0.00 56.10 58.96 2k49 s TRP 4 Cb 0.00 0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 30.92 2k49 s TRP 4 CO 0.00 -0.90 0.06 0.71 -2.66 0.00 0.00 176.95 174.16 2k49 s TYR 5 N -3.72 3.21 -0.20 1.66 2.02 -0.32 -1.36 117.35 118.64 2k49 s TYR 5 Ca 0.04 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 2k49 s TYR 5 Cb -0.02 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2k49 s TYR 5 CO -0.08 0.52 -0.01 -1.21 -1.57 0.00 0.00 175.55 173.20 2k49 s GLU 6 N -1.92 1.08 -0.22 -0.62 2.02 -0.07 0.01 118.70 118.98 2k49 s GLU 6 Ca 0.24 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.42 2k49 s GLU 6 Cb -0.12 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2k49 s GLU 6 CO 0.16 -0.59 0.58 -1.17 0.02 0.00 0.00 175.26 174.26 2k49 s LEU 7 N 1.67 4.11 0.13 1.80 2.96 -0.76 -0.93 118.68 127.66 2k49 s LEU 7 Ca -0.02 0.72 0.10 0.00 -0.22 0.00 0.00 54.13 54.70 2k49 s LEU 7 Cb -0.17 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2k49 s LEU 7 CO -0.07 -0.27 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.51 2k49 s SER 8 N 1.30 3.56 -0.10 3.68 1.04 -0.25 -0.38 113.70 122.56 2k49 s SER 8 Ca 0.26 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 2k49 s SER 8 Cb -0.16 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2k49 s SER 8 CO 0.09 0.18 0.01 -0.75 0.98 0.00 0.00 173.24 173.75 2k49 s LYS 9 N -2.11 3.11 0.23 4.02 2.20 -1.26 -0.79 119.74 125.15 2k49 s LYS 9 Ca 0.16 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.22 2k49 s LYS 9 Cb -0.10 -2.85 -0.08 0.00 -1.51 0.00 0.00 37.83 33.29 2k49 s LYS 9 CO 0.08 0.65 0.65 0.45 -0.36 0.00 0.00 175.35 176.83 2k49 s SER 10 N -0.74 6.85 0.03 1.43 0.15 0.49 -4.96 113.70 116.94 2k49 s SER 10 Ca 0.12 1.21 0.02 0.00 0.70 0.00 0.00 55.95 58.00 2k49 s SER 10 Cb -0.12 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 2k49 s SER 10 CO 0.02 -0.04 1.03 -1.20 1.20 0.00 0.00 173.24 174.25 2k49 n SER 11 N 0.29 0.05 -0.23 5.45 7.64 -1.26 -0.26 113.62 125.29 2k49 n SER 11 Ca -0.01 0.49 0.02 0.00 1.01 0.00 0.00 58.87 60.38 2k49 n SER 11 Cb 0.52 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 2k49 n SER 11 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k49 n ASN 12 N -1.54 0.67 -0.51 6.43 3.02 -1.26 -4.87 115.26 117.20 2k49 n ASN 12 Ca -0.00 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.48 2k49 n ASN 12 Cb 0.04 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 13 N -0.14 -4.54 -4.63 6.41 8.00 0.64 -5.01 116.55 117.28 2k49 n ASP 13 Ca 0.04 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 2k49 n ASP 13 Cb 0.11 -2.63 -0.10 0.00 -0.02 0.00 0.00 41.12 38.48 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k49 s GLN 14 N -2.18 3.49 -0.03 -1.24 -0.21 -1.21 -4.62 119.66 113.65 2k49 s GLN 14 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.94 2k49 s GLN 14 Cb 0.00 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 2k49 s GLN 14 CO 0.00 0.46 0.16 -0.06 -2.12 0.00 0.00 175.29 173.72 2k49 s PHE 15 N -0.19 3.51 -0.07 0.91 0.40 0.24 -0.38 117.98 122.40 2k49 s PHE 15 Ca 0.06 0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 56.72 2k49 s PHE 15 Cb -0.12 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.61 2k49 s PHE 15 CO 0.02 0.65 0.15 -1.59 0.70 0.00 0.00 175.22 175.15 2k49 s LYS 16 N -1.72 0.10 0.19 0.44 0.00 0.03 -0.28 119.74 118.50 2k49 s LYS 16 Ca 0.24 0.39 0.07 0.00 0.00 0.00 0.00 55.97 56.67 2k49 s LYS 16 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 37.83 37.49 2k49 s LYS 16 CO 0.15 -0.17 0.02 -0.59 0.00 0.00 0.00 175.35 174.76 2k49 s PHE 17 N 1.19 2.87 -0.02 1.78 -0.12 -1.26 -1.09 117.98 121.33 2k49 s PHE 17 Ca -0.09 -0.13 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 2k49 s PHE 17 Cb -0.12 -1.37 -0.02 0.00 -0.63 0.00 0.00 43.02 40.88 2k49 s PHE 17 CO -0.06 0.53 -0.25 0.14 -0.05 0.00 0.00 175.22 175.52 2k49 s VAL 18 N -1.81 2.00 -0.29 -2.49 -7.23 -0.11 -1.22 120.40 109.24 2k49 s VAL 18 Ca 0.28 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2k49 s VAL 18 Cb -0.09 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2k49 s VAL 18 CO 0.19 0.56 0.16 -0.22 -0.31 0.00 0.00 175.10 175.49 2k49 s LEU 19 N -0.61 4.00 -0.10 1.32 2.96 0.17 -0.89 118.68 125.54 2k49 s LEU 19 Ca 0.10 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2k49 s LEU 19 Cb -0.10 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2k49 s LEU 19 CO -0.01 -0.11 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.28 2k49 s LYS 20 N 1.68 3.04 0.83 1.98 1.02 -0.46 -1.85 119.74 125.99 2k49 s LYS 20 Ca 0.06 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.31 2k49 s LYS 20 Cb -0.16 -2.63 0.20 0.00 -0.52 0.00 0.00 37.83 34.72 2k49 s LYS 20 CO 0.08 0.47 0.98 0.00 -0.92 0.00 0.00 175.35 175.96 2k49 n ALA 21 N 2.81 -1.69 0.13 5.17 0.00 -0.48 -1.26 120.51 125.19 2k49 n ALA 21 Ca -0.18 -1.33 0.18 0.00 0.00 0.00 0.00 53.44 52.11 2k49 n ALA 21 Cb 0.53 -0.08 0.76 0.00 0.00 0.00 0.00 19.45 20.66 2k49 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k49 h GLY 22 N -1.65 0.00 -0.27 0.00 0.00 -1.89 0.21 103.07 99.46 2k49 h GLY 22 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k49 h GLY 22 CO 0.23 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.76 2k49 n ASN 23 N -4.01 0.69 -0.92 0.19 5.15 -1.26 -4.83 115.26 110.27 2k49 n ASN 23 Ca 0.04 -1.80 -0.12 0.00 -0.60 0.00 0.00 54.58 52.10 2k49 n ASN 23 Cb 0.43 -0.07 -0.05 0.00 -0.53 0.00 0.00 39.78 39.56 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 0.80 1.29 3.62 8.20 0.00 0.72 -4.96 105.19 114.87 2k49 n GLY 24 Ca 0.09 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.96 3.88 -0.42 1.61 2.12 -1.24 -4.73 118.70 116.96 2k49 s GLU 25 Ca 0.00 0.92 -0.28 0.00 0.36 0.00 0.00 54.97 55.97 2k49 s GLU 25 Cb 0.00 -3.84 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 2k49 s GLU 25 CO 0.00 -1.16 1.65 0.08 -0.54 0.00 0.00 175.26 175.29 2k49 s VAL 26 N 4.20 3.61 -0.20 3.70 1.01 -1.26 -1.38 120.40 130.09 2k49 s VAL 26 Ca 0.50 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 2k49 s VAL 26 Cb -0.11 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 2k49 s VAL 26 CO 0.24 -0.68 -0.20 2.30 0.00 0.00 0.00 175.10 176.77 2k49 n ILE 27 N 7.23 1.10 -4.47 2.22 -5.35 -0.77 -4.84 119.36 114.48 2k49 n ILE 27 Ca 0.19 -0.38 -0.24 0.00 -0.27 0.00 0.00 62.75 62.05 2k49 n ILE 27 Cb 0.48 -1.35 -0.13 0.00 -1.74 0.00 0.00 39.64 36.90 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 -6.40 2.22 -0.01 7.28 2.01 -1.22 -4.02 118.68 118.54 2k49 s LEU 28 Ca -0.27 -0.58 -0.00 0.00 0.01 0.00 0.00 54.13 53.29 2k49 s LEU 28 Cb 0.08 -0.90 0.01 0.00 0.01 0.00 0.00 46.19 45.39 2k49 s LEU 28 CO 0.42 0.11 0.02 -0.89 1.01 0.00 0.00 176.35 177.01 2k49 s THR 29 N -0.96 -0.03 0.77 5.49 2.01 -0.05 -0.65 115.64 122.23 2k49 s THR 29 Ca 0.06 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 2k49 s THR 29 Cb -0.09 -0.05 0.10 0.00 0.01 0.00 0.00 72.50 72.47 2k49 s THR 29 CO 0.03 0.04 1.09 -0.94 -0.69 0.00 0.00 174.62 174.15 2k49 s SER 30 N 0.51 4.37 0.78 3.53 1.04 -0.36 -0.45 113.70 123.12 2k49 s SER 30 Ca -0.04 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 2k49 s SER 30 Cb -0.06 -0.79 0.08 0.00 0.10 0.00 0.00 66.02 65.35 2k49 s SER 30 CO -0.01 -1.90 0.53 -1.84 0.98 0.00 0.00 173.24 171.00 2k49 n GLU 31 N -3.11 -0.17 -2.71 4.02 0.28 -1.22 -4.65 120.64 113.07 2k49 n GLU 31 Ca 0.11 -1.08 -0.42 0.00 -0.16 0.00 0.00 57.16 55.60 2k49 n GLU 31 Cb 0.60 -0.47 -0.03 0.00 1.43 0.00 0.00 31.44 32.97 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 3.89 0.19 -1.84 1.43 -1.26 -4.23 118.68 116.86 2k49 s LEU 32 Ca 0.32 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 2k49 s LEU 32 Cb -0.01 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 2k49 s LEU 32 CO 0.22 -1.56 1.18 -0.31 0.23 0.00 0.00 176.35 176.11 2k49 s TYR 33 N 4.65 3.45 -2.03 0.29 1.51 0.61 -4.76 117.35 121.07 2k49 s TYR 33 Ca 0.31 1.46 0.13 0.00 -1.01 0.00 0.00 57.07 57.96 2k49 s TYR 33 Cb -0.10 -3.41 0.70 0.00 -0.11 0.00 0.00 41.96 39.04 2k49 s TYR 33 CO 0.07 -1.10 1.46 0.25 -1.11 0.00 0.00 175.55 175.13 2k49 n THR 34 N 2.37 0.06 -3.69 -0.71 -2.24 -1.26 -0.59 114.28 108.21 2k49 n THR 34 Ca 0.04 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 2k49 n THR 34 Cb 0.45 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.38 -0.40 0.13 3.38 0.00 -1.26 -4.91 107.32 102.88 2k49 s GLY 35 Ca 0.20 1.42 -0.12 0.00 0.00 0.00 0.00 44.72 46.22 2k49 s GLY 35 CO 0.16 1.20 1.50 1.70 0.00 0.00 0.00 173.10 177.65 2k49 h LYS 36 N 5.07 0.85 -0.70 2.90 3.64 -1.90 -0.62 116.57 125.82 2k49 h LYS 36 Ca -0.28 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 58.76 2k49 h LYS 36 Cb 1.17 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 2k49 h LYS 36 CO 0.20 1.03 0.41 1.03 -2.27 0.00 0.00 179.45 179.85 2k49 h SER 37 N 0.66 0.64 -0.81 4.20 0.87 -1.99 0.15 113.55 117.27 2k49 h SER 37 Ca 0.08 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2k49 h SER 37 Cb 0.80 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 2k49 h SER 37 CO 0.07 0.42 0.41 1.23 -0.53 0.00 0.00 176.83 178.43 2k49 h GLY 38 N 0.77 1.24 1.02 5.77 0.00 -1.91 -0.65 103.07 109.31 2k49 h GLY 38 Ca 0.30 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2k49 h GLY 38 CO -0.16 0.57 0.20 0.00 0.00 0.00 0.00 176.54 177.15 2k49 h ALA 39 N 1.22 0.83 0.31 3.60 0.00 -0.37 0.11 119.26 124.95 2k49 h ALA 39 Ca 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k49 h ALA 39 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k49 h ALA 39 CO -0.04 0.51 -0.15 0.52 0.00 0.00 0.00 179.25 180.09 2k49 h MET 40 N 0.91 -0.40 -0.72 0.00 2.86 -0.50 -1.68 114.93 115.41 2k49 h MET 40 Ca 0.20 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 2k49 h MET 40 Cb 0.30 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2k49 h MET 40 CO -0.01 -0.26 0.47 -0.97 1.06 0.00 0.00 176.91 177.21 2k49 h ASN 41 N -0.42 0.67 -0.90 1.22 -1.24 -1.02 0.08 115.58 113.98 2k49 h ASN 41 Ca -0.04 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.01 2k49 h ASN 41 Cb 0.32 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 2k49 h ASN 41 CO 0.07 0.44 0.59 1.23 -1.29 0.00 0.00 177.43 178.47 2k49 h GLY 42 N 0.77 1.29 0.90 1.57 0.00 -0.41 -0.07 103.07 107.11 2k49 h GLY 42 Ca 0.30 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2k49 h GLY 42 CO -0.10 0.38 0.08 -2.22 0.00 0.00 0.00 176.54 174.68 2k49 h ILE 43 N 1.11 1.22 -0.28 2.60 2.04 -0.07 -1.20 117.51 122.93 2k49 h ILE 43 Ca 0.36 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2k49 h ILE 43 Cb 0.03 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2k49 h ILE 43 CO -0.11 0.24 0.14 -0.33 0.00 0.00 0.00 178.15 178.09 2k49 h GLU 44 N 0.34 0.38 0.02 2.37 5.08 -0.94 0.90 114.58 122.73 2k49 h GLU 44 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k49 h GLU 44 Cb 0.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k49 h GLU 44 CO 0.00 0.30 -0.01 1.03 -1.00 0.00 0.00 179.01 179.33 2k49 h SER 45 N 0.39 -0.02 -0.74 1.42 0.87 -0.65 -1.75 113.55 113.06 2k49 h SER 45 Ca 0.10 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 2k49 h SER 45 Cb 0.04 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 2k49 h SER 45 CO -0.01 0.11 0.42 0.58 -0.53 0.00 0.00 176.83 177.40 2k49 h VAL 46 N -0.16 0.97 -0.65 2.23 2.07 -0.21 0.36 116.25 120.85 2k49 h VAL 46 Ca -0.00 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2k49 h VAL 46 Cb 0.15 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2k49 h VAL 46 CO 0.00 0.14 0.43 1.56 0.02 0.00 0.00 177.57 179.73 2k49 h GLN 47 N 0.76 0.62 0.02 1.57 4.20 -0.76 0.23 115.11 121.76 2k49 h GLN 47 Ca 0.34 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.80 2k49 h GLN 47 Cb 0.22 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2k49 h GLN 47 CO -0.20 0.41 -0.97 1.15 -0.67 0.00 0.00 178.83 178.55 2k49 h THR 48 N 0.64 1.60 0.00 -0.54 2.02 -0.06 -3.33 112.91 113.24 2k49 h THR 48 Ca 0.28 -3.04 -0.20 0.00 0.77 0.00 0.00 66.41 64.22 2k49 h THR 48 Cb 0.30 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2k49 h THR 48 CO -0.09 0.88 -0.96 0.78 0.37 0.00 0.00 175.52 176.50 2k49 h ASN 49 N 0.04 0.00 -0.45 4.18 2.35 0.57 -3.36 115.58 118.91 2k49 h ASN 49 Ca -0.04 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2k49 h ASN 49 Cb 1.67 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.98 2k49 h ASN 49 CO 0.14 0.96 0.06 -1.28 -1.65 0.00 0.00 177.43 175.65 2k49 h SER 50 N 0.00 -0.06 0.00 5.81 0.87 -0.69 -0.24 113.55 119.24 2k49 h SER 50 Ca -0.01 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2k49 h SER 50 Cb 1.72 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2k49 h SER 50 CO 0.12 0.00 0.00 -0.81 -0.53 0.00 0.00 176.83 175.62 2k49 n PRO 51 N -5.14 0.86 -3.93 2.24 -0.04 -1.26 -4.48 135.00 123.26 2k49 n PRO 51 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2k49 n PRO 51 Cb 0.22 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 2k49 n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k49 s ILE 52 N -2.00 2.29 0.45 0.52 1.01 -0.10 -4.98 121.20 118.39 2k49 s ILE 52 Ca 0.21 -2.88 0.18 0.00 0.00 0.00 0.00 60.65 58.16 2k49 s ILE 52 Cb 0.10 -2.63 0.36 0.00 0.01 0.00 0.00 42.46 40.30 2k49 s ILE 52 CO 0.16 -0.75 1.95 -0.33 0.00 0.00 0.00 174.94 175.97 2k49 h GLU 53 N 6.91 0.31 0.00 2.79 3.07 -1.78 -1.99 114.58 123.88 2k49 h GLU 53 Ca -0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2k49 h GLU 53 Cb 0.94 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2k49 h GLU 53 CO 0.61 0.20 0.00 0.00 -1.40 0.00 0.00 179.01 178.42 2k49 n ALA 54 N -2.55 1.47 0.01 3.43 0.00 -1.26 -2.14 120.51 119.47 2k49 n ALA 54 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 2k49 n ALA 54 Cb 0.52 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 2k49 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k49 h ARG 55 N 0.00 0.00 -7.38 0.00 2.47 -1.65 -3.48 114.38 104.34 2k49 h ARG 55 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 2k49 h ARG 55 Cb 0.00 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.45 2k49 h ARG 55 CO 0.00 0.49 0.31 1.52 0.56 0.00 0.00 179.97 182.85 2k49 s TYR 56 N -2.73 2.70 -0.20 3.04 -0.85 -0.91 -1.02 117.35 117.37 2k49 s TYR 56 Ca -0.03 1.22 -0.04 0.00 -0.52 0.00 0.00 57.07 57.69 2k49 s TYR 56 Cb 0.08 -3.11 0.08 0.00 0.38 0.00 0.00 41.96 39.38 2k49 s TYR 56 CO 0.82 -1.91 0.13 0.00 -1.52 0.00 0.00 175.55 173.07 2k49 s ALA 57 N -3.08 0.26 -0.07 9.51 0.00 0.13 -4.84 121.76 123.66 2k49 s ALA 57 Ca 0.61 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 2k49 s ALA 57 Cb -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2k49 s ALA 57 CO 0.55 -1.26 0.43 0.15 0.00 0.00 0.00 175.76 175.64 2k49 s LYS 58 N 2.19 4.17 -0.01 0.00 1.02 -1.26 -0.63 119.74 125.21 2k49 s LYS 58 Ca 0.04 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.17 2k49 s LYS 58 Cb -0.16 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.86 2k49 s LYS 58 CO -0.14 0.38 0.59 -2.00 -0.92 0.00 0.00 175.35 173.26 2k49 s GLU 59 N -0.08 1.01 -0.23 1.68 2.56 -0.94 -5.02 118.70 117.68 2k49 s GLU 59 Ca 0.24 0.06 0.01 0.00 0.00 0.00 0.00 54.97 55.28 2k49 s GLU 59 Cb -0.16 0.47 0.04 0.00 2.00 0.00 0.00 34.13 36.48 2k49 s GLU 59 CO 0.11 -0.33 -0.13 0.08 -0.56 0.00 0.00 175.26 174.43 2k49 s VAL 60 N -1.59 2.30 0.80 3.70 1.01 -1.26 -1.51 120.40 123.85 2k49 s VAL 60 Ca -0.10 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 2k49 s VAL 60 Cb -0.01 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2k49 s VAL 60 CO 0.06 0.25 0.86 0.00 0.00 0.00 0.00 175.10 176.27 2k49 n ALA 61 N 4.56 -0.89 0.28 5.51 0.00 0.02 -4.78 120.51 125.22 2k49 n ALA 61 Ca -0.17 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.08 2k49 n ALA 61 Cb 0.46 -2.05 0.83 0.00 0.00 0.00 0.00 19.45 18.69 2k49 n ALA 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k49 h LYS 62 N -0.81 0.00 -0.32 0.00 1.63 -2.00 0.32 116.57 115.39 2k49 h LYS 62 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2k49 h LYS 62 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2k49 h LYS 62 CO 0.43 0.07 0.00 -1.71 -3.45 0.00 0.00 179.45 174.79 2k49 n ASN 63 N -3.55 0.32 -3.12 4.20 5.15 -1.26 -4.86 115.26 112.15 2k49 n ASN 63 Ca -0.02 -1.93 -0.19 0.00 -0.60 0.00 0.00 54.58 51.85 2k49 n ASN 63 Cb 0.19 -0.16 0.07 0.00 -0.53 0.00 0.00 39.78 39.35 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k49 n ASP 64 N -0.33 -4.60 -4.24 1.20 8.00 0.11 -5.00 116.55 111.70 2k49 n ASP 64 Ca 0.00 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 2k49 n ASP 64 Cb 0.08 -4.39 -0.08 0.00 -0.02 0.00 0.00 41.12 36.71 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 -5.82 2.59 -0.07 -1.24 1.02 -1.18 -4.89 119.74 110.15 2k49 s LYS 65 Ca 0.35 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 2k49 s LYS 65 Cb -0.15 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 2k49 s LYS 65 CO 0.62 -1.21 1.37 -1.25 -0.92 0.00 0.00 175.35 173.97 2k49 s PRO 66 N 1.42 4.26 0.27 -1.68 0.04 -1.26 -0.80 135.00 137.24 2k49 s PRO 66 Ca 0.05 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 2k49 s PRO 66 Cb -0.27 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.57 2k49 s PRO 66 CO 0.00 -0.65 0.37 2.48 0.04 0.00 0.00 177.00 179.24 2k49 n TYR 67 N 6.07 -1.20 -3.65 0.56 4.11 -0.57 -2.06 117.16 120.41 2k49 n TYR 67 Ca 0.14 -1.78 -0.15 0.00 -0.00 0.00 0.00 57.90 56.11 2k49 n TYR 67 Cb 0.44 0.42 -0.08 0.00 -0.00 0.00 0.00 39.34 40.12 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 -3.43 -0.45 0.19 -3.48 -0.71 -1.26 -2.23 117.98 106.62 2k49 s PHE 68 Ca 0.22 0.84 0.07 0.00 -1.04 0.00 0.00 56.93 57.01 2k49 s PHE 68 Cb -0.01 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 2k49 s PHE 68 CO 0.16 -0.45 0.08 -0.80 -1.34 0.00 0.00 175.22 172.87 2k49 s ASN 69 N -0.95 5.14 -0.18 1.98 0.01 0.20 -1.06 114.94 120.08 2k49 s ASN 69 Ca -0.10 -0.30 -0.02 0.00 -0.71 0.00 0.00 52.86 51.73 2k49 s ASN 69 Cb -0.03 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.41 2k49 s ASN 69 CO 0.06 0.05 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.39 2k49 s LEU 70 N -3.23 2.78 -0.03 0.60 2.96 0.37 0.17 118.68 122.30 2k49 s LEU 70 Ca 0.30 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2k49 s LEU 70 Cb -0.09 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2k49 s LEU 70 CO 0.21 0.05 0.25 -0.54 -1.32 0.00 0.00 176.35 175.01 2k49 s LYS 71 N 1.04 3.59 0.77 1.98 1.02 -0.19 -1.61 119.74 126.34 2k49 s LYS 71 Ca -0.00 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 2k49 s LYS 71 Cb -0.15 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.18 2k49 s LYS 71 CO -0.01 0.69 1.07 0.00 -0.92 0.00 0.00 175.35 176.18 2k49 s ALA 72 N -1.19 3.40 0.35 5.17 0.00 0.13 -4.77 121.76 124.85 2k49 s ALA 72 Ca 0.23 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.66 2k49 s ALA 72 Cb -0.13 -2.16 0.84 0.00 0.00 0.00 0.00 23.12 21.66 2k49 s ALA 72 CO 0.12 -1.67 1.84 0.00 0.00 0.00 0.00 175.76 176.05 2k49 h ALA 73 N -0.77 1.86 -0.20 0.00 0.00 -1.94 0.24 119.26 118.45 2k49 h ALA 73 Ca -0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k49 h ALA 73 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k49 h ALA 73 CO 0.40 -0.14 0.00 -1.71 0.00 0.00 0.00 179.25 177.80 2k49 n ASN 74 N -4.59 2.48 0.00 0.00 5.15 -1.26 -4.86 115.26 112.17 2k49 n ASN 74 Ca 0.19 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.89 2k49 n ASN 74 Cb 0.53 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 2k49 n ASN 74 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2k49 n HIS 75 N 0.22 0.00 -2.60 1.20 -0.00 0.83 -4.98 115.22 109.89 2k49 n HIS 75 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.46 2k49 n HIS 75 Cb 0.53 -0.44 -0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2k49 s GLN 76 N -0.32 4.16 -0.76 1.57 -2.07 -1.26 -4.64 119.66 116.35 2k49 s GLN 76 Ca 0.00 1.43 -0.26 0.00 -1.82 0.00 0.00 55.36 54.70 2k49 s GLN 76 Cb 0.00 -2.46 0.03 0.00 -1.09 0.00 0.00 33.01 29.49 2k49 s GLN 76 CO 0.00 -0.13 1.27 0.42 -1.32 0.00 0.00 175.29 175.54 2k49 s ILE 77 N -1.76 3.78 -0.13 3.63 -1.09 -1.26 -0.69 121.20 123.67 2k49 s ILE 77 Ca 0.59 0.27 0.10 0.00 -2.23 0.00 0.00 60.65 59.37 2k49 s ILE 77 Cb -0.19 -4.92 -0.23 0.00 -1.58 0.00 0.00 42.46 35.54 2k49 s ILE 77 CO 0.24 -1.84 0.31 2.30 -1.23 0.00 0.00 174.94 174.73 2k49 n ILE 78 N 6.39 1.55 -4.35 2.92 -5.35 -0.63 -4.93 119.36 114.96 2k49 n ILE 78 Ca 0.05 -0.76 -0.26 0.00 -0.27 0.00 0.00 62.75 61.51 2k49 n ILE 78 Cb 0.49 -1.02 -0.13 0.00 -1.74 0.00 0.00 39.64 37.24 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 -5.49 1.33 -0.02 3.28 0.00 -0.97 -3.40 107.32 102.05 2k49 s GLY 79 Ca -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2k49 s GLY 79 CO 0.79 -1.28 -0.02 -1.59 0.00 0.00 0.00 173.10 171.00 2k49 s THR 80 N -1.10 0.26 0.85 0.90 2.01 0.41 -0.48 115.64 118.48 2k49 s THR 80 Ca 0.09 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 2k49 s THR 80 Cb -0.10 -0.31 0.15 0.00 0.01 0.00 0.00 72.50 72.25 2k49 s THR 80 CO 0.04 0.14 1.18 -0.55 -0.69 0.00 0.00 174.62 174.75 2k49 s SER 81 N 0.71 3.81 0.61 3.53 0.15 -0.23 -0.87 113.70 121.42 2k49 s SER 81 Ca -0.08 0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.79 2k49 s SER 81 Cb -0.11 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 63.84 2k49 s SER 81 CO -0.01 -2.27 0.85 0.00 1.20 0.00 0.00 173.24 173.01 2k49 s GLN 82 N -5.58 2.16 -0.53 5.44 -2.07 -1.26 -4.77 119.66 113.06 2k49 s GLN 82 Ca 0.69 -1.21 -0.27 0.00 -1.82 0.00 0.00 55.36 52.75 2k49 s GLN 82 Cb -0.06 -2.50 0.03 0.00 -1.09 0.00 0.00 33.01 29.39 2k49 s GLN 82 CO 0.49 -1.00 1.08 0.00 -1.32 0.00 0.00 175.29 174.54 2k49 s MET 83 N -4.84 3.53 0.63 9.60 0.23 -1.26 -4.49 119.30 122.70 2k49 s MET 83 Ca 0.62 0.21 -0.11 0.00 -1.03 0.00 0.00 55.69 55.38 2k49 s MET 83 Cb -0.07 -3.98 -0.03 0.00 -1.53 0.00 0.00 34.83 29.22 2k49 s MET 83 CO 0.40 -1.48 1.03 0.71 -2.03 0.00 0.00 175.02 173.65 2k49 s TYR 84 N 4.41 3.58 -1.95 3.16 1.51 -0.88 -4.96 117.35 122.22 2k49 s TYR 84 Ca 0.41 1.24 0.24 0.00 -1.01 0.00 0.00 57.07 57.95 2k49 s TYR 84 Cb -0.09 -2.76 0.33 0.00 -0.11 0.00 0.00 41.96 39.33 2k49 s TYR 84 CO 0.26 -0.75 1.30 -1.13 -1.11 0.00 0.00 175.55 174.12 2k49 n SER 85 N -2.77 1.63 -3.85 2.29 3.41 -1.26 -4.07 113.62 109.00 2k49 n SER 85 Ca 0.06 -1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 2k49 n SER 85 Cb 0.55 0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 64.69 2k49 n SER 85 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k49 s SER 86 N -2.47 -0.07 0.08 4.04 0.01 -1.26 -5.05 113.70 108.98 2k49 s SER 86 Ca 0.21 0.11 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 2k49 s SER 86 Cb 0.19 0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.50 2k49 s SER 86 CO 0.54 -0.07 1.56 0.71 0.41 0.00 0.00 173.24 176.39 2k49 h THR 87 N 4.93 1.21 -0.93 1.44 1.35 -1.94 -2.44 112.91 116.52 2k49 h THR 87 Ca -0.26 -0.67 0.07 0.00 -0.55 0.00 0.00 66.41 65.00 2k49 h THR 87 Cb 1.20 1.30 -0.06 0.00 -1.73 0.00 0.00 68.15 68.86 2k49 h THR 87 CO 0.45 0.21 0.61 0.00 -0.25 0.00 0.00 175.52 176.53 2k49 h ALA 88 N 0.85 1.48 -0.19 6.62 0.00 -1.99 -0.89 119.26 125.14 2k49 h ALA 88 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k49 h ALA 88 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k49 h ALA 88 CO 0.00 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.66 2k49 h ALA 89 N 1.49 1.71 0.21 0.00 0.00 -1.90 0.24 119.26 121.01 2k49 h ALA 89 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2k49 h ALA 89 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k49 h ALA 89 CO -0.15 0.23 -0.10 -0.09 0.00 0.00 0.00 179.25 179.13 2k49 h ARG 90 N 0.27 -0.28 0.00 0.00 1.12 -0.71 0.20 114.38 114.99 2k49 h ARG 90 Ca 0.07 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 2k49 h ARG 90 Cb 0.13 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2k49 h ARG 90 CO -0.00 0.04 -0.16 -0.44 -3.11 0.00 0.00 179.97 176.30 2k49 h ASP 91 N -0.62 0.00 0.22 -3.80 5.19 -1.18 -1.03 116.42 115.20 2k49 h ASP 91 Ca -0.03 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.25 2k49 h ASP 91 Cb 0.45 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2k49 h ASP 91 CO 0.05 0.16 -0.50 0.78 -3.12 0.00 0.00 179.24 176.61 2k49 h ASN 92 N 0.00 0.35 -0.82 6.45 2.35 -0.40 -2.32 115.58 121.19 2k49 h ASN 92 Ca -0.00 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2k49 h ASN 92 Cb 0.29 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2k49 h ASN 92 CO 0.02 0.79 0.53 1.23 -1.65 0.00 0.00 177.43 178.35 2k49 h GLY 93 N 1.28 1.16 0.97 2.83 0.00 0.71 0.27 103.07 110.30 2k49 h GLY 93 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2k49 h GLY 93 CO 0.08 0.43 0.24 -2.22 0.00 0.00 0.00 176.54 175.08 2k49 h ILE 94 N 1.12 1.18 -0.72 2.60 2.04 -1.19 -0.25 117.51 122.29 2k49 h ILE 94 Ca 0.30 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2k49 h ILE 94 Cb -0.11 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2k49 h ILE 94 CO -0.06 0.20 0.48 0.11 0.00 0.00 0.00 178.15 178.88 2k49 h LYS 95 N 0.64 0.92 -0.63 2.37 1.57 -0.84 -1.06 116.57 119.52 2k49 h LYS 95 Ca 0.17 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2k49 h LYS 95 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2k49 h LYS 95 CO -0.02 0.61 0.11 1.03 -0.57 0.00 0.00 179.45 180.60 2k49 h SER 96 N 0.94 1.00 0.70 0.86 0.87 0.26 -2.16 113.55 116.03 2k49 h SER 96 Ca 0.27 -0.26 -0.20 0.00 -1.23 0.00 0.00 61.79 60.38 2k49 h SER 96 Cb -0.06 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 2k49 h SER 96 CO -0.07 1.01 -0.90 1.62 -0.53 0.00 0.00 176.83 177.96 2k49 h VAL 97 N 0.96 1.55 0.00 2.23 3.04 -0.69 0.76 116.25 124.10 2k49 h VAL 97 Ca 0.19 -2.79 -0.07 0.00 -1.01 0.00 0.00 66.70 63.02 2k49 h VAL 97 Cb 0.43 2.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.25 2k49 h VAL 97 CO 0.01 0.81 -0.34 0.00 -1.01 0.00 0.00 177.57 177.04 2k49 h MET 98 N 0.06 0.00 0.00 4.17 -0.00 -1.14 0.39 114.93 118.40 2k49 h MET 98 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2k49 h MET 98 Cb 1.55 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.15 2k49 h MET 98 CO 0.13 0.34 -0.08 1.49 -0.00 0.00 0.00 176.91 178.79 2k49 h GLU 99 N 0.00 0.00 -0.01 -0.10 4.81 -1.30 -3.42 114.58 114.56 2k49 h GLU 99 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k49 h GLU 99 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k49 h GLU 99 CO 0.04 0.24 -0.37 0.09 -0.73 0.00 0.00 179.01 178.28 2k49 n ASN 100 N -4.72 1.56 -0.05 1.04 3.02 0.25 -4.38 115.26 111.99 2k49 n ASN 100 Ca -0.04 -1.23 -0.15 0.00 -0.03 0.00 0.00 54.58 53.13 2k49 n ASN 100 Cb 0.14 0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 2k49 n ASN 100 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2k49 h GLY 101 N 4.89 0.67 -3.52 7.41 0.00 -0.37 -3.31 103.07 108.84 2k49 h GLY 101 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 2k49 h GLY 101 CO 0.00 0.77 -0.09 0.58 0.00 0.00 0.00 176.54 177.80 2k49 n LYS 102 N -4.20 1.14 -3.74 4.80 2.85 -1.26 -4.43 118.16 113.32 2k49 n LYS 102 Ca -0.07 -0.30 -0.37 0.00 -1.05 0.00 0.00 58.31 56.53 2k49 n LYS 102 Cb 0.58 -1.38 -0.07 0.00 -0.65 0.00 0.00 35.03 33.51 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 0.68 5.38 -2.17 0.58 -1.32 -1.24 -4.98 115.64 112.56 2k49 s THR 103 Ca 0.20 0.36 0.20 0.00 -1.21 0.00 0.00 61.69 61.24 2k49 s THR 103 Cb 0.10 -3.50 0.49 0.00 -1.51 0.00 0.00 72.50 68.08 2k49 s THR 103 CO 0.00 0.54 1.62 0.35 -2.21 0.00 0.00 174.62 174.93 2k49 n THR 104 N 2.51 0.12 -2.64 5.08 -2.24 -1.26 -4.79 114.28 111.06 2k49 n THR 104 Ca -0.17 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2k49 n THR 104 Cb 0.53 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.88 3.90 -0.19 4.28 2.01 -1.26 -5.00 115.64 117.50 2k49 s THR 105 Ca 0.31 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 2k49 s THR 105 Cb 0.16 -4.86 -0.02 0.00 0.01 0.00 0.00 72.50 67.79 2k49 s THR 105 CO 0.25 -1.75 -0.04 -0.63 -0.69 0.00 0.00 174.62 171.76 2k49 s ILE 106 N 5.22 3.59 0.07 1.82 1.01 -1.26 -1.17 121.20 130.47 2k49 s ILE 106 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2k49 s ILE 106 Cb -0.10 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2k49 s ILE 106 CO 0.12 0.45 0.17 -0.54 0.00 0.00 0.00 174.94 175.14 2k49 s LYS 107 N 1.03 3.24 -0.28 2.79 1.02 0.10 -4.95 119.74 122.69 2k49 s LYS 107 Ca 0.01 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.43 2k49 s LYS 107 Cb -0.15 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2k49 s LYS 107 CO 0.01 0.59 0.01 0.34 -0.92 0.00 0.00 175.35 175.38 2k49 s ASP 108 N -2.50 4.77 -0.02 2.83 -1.08 -1.26 -1.82 116.67 117.59 2k49 s ASP 108 Ca 0.33 -0.92 0.12 0.00 -0.52 0.00 0.00 52.55 51.56 2k49 s ASP 108 Cb -0.13 -1.76 0.36 0.00 -1.46 0.00 0.00 42.92 39.93 2k49 s ASP 108 CO 0.26 -0.19 1.30 0.18 0.52 0.00 0.00 175.17 177.23 2k49 n LEU 109 N 4.74 3.12 0.05 -1.34 4.77 0.49 -4.48 117.00 124.35 2k49 n LEU 109 Ca -0.15 -2.12 0.12 0.00 -0.03 0.00 0.00 56.01 53.83 2k49 n LEU 109 Cb 0.46 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2k49 n LEU 109 CO 0.29 0.74 0.10 0.35 -1.33 0.00 0.00 177.39 177.53 2k49 n THR 110 N 0.47 0.30 0.42 -5.08 -2.24 -1.15 -4.22 114.28 102.77 2k49 n THR 110 Ca 0.14 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 2k49 n THR 110 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 2k49 n THR 110 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k49 h LEU 111 N 0.00 -0.93 -9.18 3.22 3.38 -1.91 -3.43 115.31 106.46 2k49 h LEU 111 Ca 0.00 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 2k49 h LEU 111 Cb 0.78 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2k49 h LEU 111 CO 0.00 -0.64 0.08 -1.61 0.09 0.00 0.00 178.44 176.35 2k49 s GLU 112 N -6.03 4.26 -0.67 1.13 2.02 -1.26 -4.96 118.70 113.19 2k49 s GLU 112 Ca -0.18 0.63 -0.24 0.00 0.02 0.00 0.00 54.97 55.20 2k49 s GLU 112 Cb 0.03 -3.54 -0.19 0.00 0.10 0.00 0.00 34.13 30.53 2k49 s GLU 112 CO 0.61 -0.14 1.87 -2.39 0.02 0.00 0.00 175.26 175.23 2k49 n HIS 113 N 4.69 1.59 -1.52 1.61 1.44 -1.26 -4.88 115.22 116.88 2k49 n HIS 113 Ca -0.02 -1.50 -0.39 0.00 -2.01 0.00 0.00 57.72 53.80 2k49 n HIS 113 Cb 0.50 -1.63 -0.09 0.00 0.12 0.00 0.00 29.99 28.89 2k49 n HIS 113 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2k49 n HIS 114 N 8.64 1.01 -2.84 -1.40 1.44 -1.26 -4.88 115.22 115.93 2k49 n HIS 114 Ca 0.49 0.25 -0.43 0.00 -2.01 0.00 0.00 57.72 56.02 2k49 n HIS 114 Cb 0.41 -2.51 -0.04 0.00 0.12 0.00 0.00 29.99 27.98 2k49 n HIS 114 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k49 s HIS 115 N 10.63 2.71 -0.86 -1.40 -3.43 -1.26 -4.98 115.29 116.69 2k49 s HIS 115 Ca 1.17 -0.66 -0.17 0.00 -0.80 0.00 0.00 55.06 54.60 2k49 s HIS 115 Cb -0.71 -4.33 0.16 0.00 -1.43 0.00 0.00 32.58 26.27 2k49 s HIS 115 CO 0.38 -1.66 0.95 -1.58 -2.00 0.00 0.00 174.74 170.82 2k49 s HIS 116 N 3.99 3.36 -0.08 0.38 2.46 -1.26 -5.01 115.29 119.13 2k49 s HIS 116 Ca 0.25 -1.59 0.04 0.00 0.47 0.00 0.00 55.06 54.24 2k49 s HIS 116 Cb -0.14 -4.08 -0.00 0.00 -0.13 0.00 0.00 32.58 28.23 2k49 s HIS 116 CO 0.07 -1.28 -0.22 -1.58 -2.47 0.00 0.00 174.74 169.26 2k49 s HIS 117 N 1.70 2.24 -2.39 3.88 5.04 -1.26 -5.35 115.29 119.16 2k49 s HIS 117 Ca 0.25 -0.81 0.29 0.00 -1.54 0.00 0.00 55.06 53.25 2k49 s HIS 117 Cb -0.09 -1.51 1.24 0.00 0.04 0.00 0.00 32.58 32.27 2k49 s HIS 117 CO -0.08 -0.31 1.85 1.58 -2.34 0.00 0.00 174.74 175.44