#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 -0.43 -4.34 7.83 3.41 -1.26 -5.09 113.62 113.74 2k49 n SER 2 Ca 0.00 -1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 57.20 2k49 n SER 2 Cb 0.00 0.68 0.13 0.00 -0.26 0.00 0.00 64.21 64.76 2k49 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k49 n GLY 3 N -0.23 0.25 3.43 5.00 0.00 -1.26 -3.32 105.19 109.06 2k49 n GLY 3 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.13 -0.54 -0.21 1.61 -2.14 -0.42 -4.71 118.94 109.39 2k49 s TRP 4 Ca 0.66 0.38 -0.07 0.00 2.66 0.00 0.00 56.10 59.73 2k49 s TRP 4 Cb -0.03 0.55 -0.03 0.00 -3.10 0.00 0.00 33.47 30.86 2k49 s TRP 4 CO 0.44 -0.83 0.04 0.71 -2.66 0.00 0.00 176.95 174.65 2k49 s TYR 5 N -3.59 3.12 -0.43 1.66 1.51 -0.83 -0.88 117.35 117.90 2k49 s TYR 5 Ca 0.00 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 2k49 s TYR 5 Cb -0.01 -2.13 0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2k49 s TYR 5 CO -0.12 -0.14 0.30 -1.21 -1.11 0.00 0.00 175.55 173.27 2k49 s GLU 6 N 0.99 2.84 -0.35 -0.62 2.02 0.04 0.40 118.70 124.01 2k49 s GLU 6 Ca 0.03 -1.27 -0.20 0.00 0.02 0.00 0.00 54.97 53.55 2k49 s GLU 6 Cb -0.14 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.16 2k49 s GLU 6 CO 0.03 -0.90 0.62 -1.17 0.02 0.00 0.00 175.26 173.86 2k49 s LEU 7 N 1.57 4.26 0.11 1.80 2.96 0.50 -1.42 118.68 128.46 2k49 s LEU 7 Ca 0.03 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 2k49 s LEU 7 Cb -0.22 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2k49 s LEU 7 CO 0.06 -0.57 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.46 2k49 s SER 8 N 1.78 1.70 -0.22 3.68 1.04 0.39 0.33 113.70 122.39 2k49 s SER 8 Ca 0.24 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 2k49 s SER 8 Cb -0.15 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 2k49 s SER 8 CO 0.14 -0.20 0.12 -0.75 0.98 0.00 0.00 173.24 173.54 2k49 s LYS 9 N -2.64 4.02 0.97 4.02 2.20 -1.26 -1.16 119.74 125.89 2k49 s LYS 9 Ca 0.06 -0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.22 2k49 s LYS 9 Cb -0.04 -3.42 0.18 0.00 -1.51 0.00 0.00 37.83 33.04 2k49 s LYS 9 CO 0.02 0.12 1.21 0.45 -0.36 0.00 0.00 175.35 176.78 2k49 s SER 10 N 0.85 3.02 0.52 1.43 0.15 -0.12 -4.89 113.70 114.66 2k49 s SER 10 Ca 0.06 0.61 0.18 0.00 0.70 0.00 0.00 55.95 57.50 2k49 s SER 10 Cb -0.13 -0.91 1.28 0.00 -1.71 0.00 0.00 66.02 64.55 2k49 s SER 10 CO 0.03 -2.82 2.11 0.28 1.20 0.00 0.00 173.24 174.04 2k49 h SER 11 N -1.69 0.01 -0.13 5.45 0.02 -1.99 -0.23 113.55 114.99 2k49 h SER 11 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k49 h SER 11 Cb 1.29 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2k49 h SER 11 CO 0.48 0.01 0.00 -0.46 -1.14 0.00 0.00 176.83 175.72 2k49 n ASN 12 N -4.50 1.42 -0.72 3.07 6.94 -1.26 -4.86 115.26 115.35 2k49 n ASN 12 Ca -0.00 -2.10 -0.09 0.00 -0.02 0.00 0.00 54.58 52.36 2k49 n ASN 12 Cb 0.20 -0.35 -0.04 0.00 -2.36 0.00 0.00 39.78 37.23 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k49 n ASP 13 N 0.03 -5.35 -4.84 0.53 8.00 -0.10 -4.98 116.55 109.85 2k49 n ASP 13 Ca 0.05 0.23 -0.38 0.00 0.71 0.00 0.00 54.79 55.41 2k49 n ASP 13 Cb 0.30 -3.67 -0.06 0.00 -0.02 0.00 0.00 41.12 37.67 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 -2.65 3.95 -0.09 -1.24 -0.21 -1.26 -4.85 119.66 113.31 2k49 s GLN 14 Ca 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 55.36 55.70 2k49 s GLN 14 Cb 0.00 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 2k49 s GLN 14 CO 0.00 0.65 0.30 -0.06 -2.12 0.00 0.00 175.29 174.06 2k49 s PHE 15 N -1.15 3.59 0.09 0.91 0.40 0.12 -0.95 117.98 121.00 2k49 s PHE 15 Ca 0.27 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 2k49 s PHE 15 Cb -0.17 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2k49 s PHE 15 CO 0.15 0.50 -0.07 -1.59 0.70 0.00 0.00 175.22 174.92 2k49 s LYS 16 N -0.44 0.79 0.01 0.44 -2.85 -0.31 -0.46 119.74 116.93 2k49 s LYS 16 Ca 0.19 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.93 2k49 s LYS 16 Cb -0.14 -0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.41 2k49 s LYS 16 CO 0.07 -0.01 -0.10 -0.59 0.10 0.00 0.00 175.35 174.83 2k49 s PHE 17 N -3.33 0.87 -0.09 1.78 -0.71 -1.26 -0.46 117.98 114.78 2k49 s PHE 17 Ca 0.09 -0.23 0.04 0.00 -1.04 0.00 0.00 56.93 55.78 2k49 s PHE 17 Cb 0.03 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 2k49 s PHE 17 CO -0.04 -0.01 -0.22 0.14 -1.34 0.00 0.00 175.22 173.75 2k49 s VAL 18 N -0.48 1.86 -0.42 -2.49 -7.23 -0.50 -3.27 120.40 107.87 2k49 s VAL 18 Ca 0.01 -0.91 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 2k49 s VAL 18 Cb -0.05 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2k49 s VAL 18 CO 0.00 0.52 0.63 -0.22 -0.31 0.00 0.00 175.10 175.72 2k49 s LEU 19 N 0.37 4.45 -0.14 1.32 2.96 0.19 -0.78 118.68 127.05 2k49 s LEU 19 Ca -0.17 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2k49 s LEU 19 Cb -0.17 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2k49 s LEU 19 CO 0.07 -0.72 0.09 -0.54 -1.32 0.00 0.00 176.35 173.93 2k49 s LYS 20 N 2.76 3.58 -0.25 1.98 1.02 -0.06 -0.80 119.74 127.97 2k49 s LYS 20 Ca 0.22 -0.25 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 2k49 s LYS 20 Cb -0.14 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2k49 s LYS 20 CO 0.18 0.58 0.12 0.00 -0.92 0.00 0.00 175.35 175.31 2k49 s ALA 21 N -0.48 3.39 0.00 5.17 0.00 -0.14 -1.30 121.76 128.40 2k49 s ALA 21 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2k49 s ALA 21 Cb -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2k49 s ALA 21 CO 0.02 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2k49 n GLY 22 N 4.62 0.22 0.00 0.00 0.00 -1.21 -1.87 105.19 106.95 2k49 n GLY 22 Ca -0.15 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.38 2k49 n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k49 n ASN 23 N 1.01 0.00 0.00 1.61 6.94 -1.26 -4.84 115.26 118.71 2k49 n ASN 23 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 2k49 n ASN 23 Cb 0.00 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k49 n GLY 24 N 0.70 1.00 3.70 4.83 0.00 -0.78 -5.08 105.19 109.56 2k49 n GLY 24 Ca 0.09 0.00 -0.42 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 -0.72 4.51 -0.55 1.61 2.12 -1.23 -4.74 118.70 119.70 2k49 s GLU 25 Ca 0.00 1.44 -0.28 0.00 0.36 0.00 0.00 54.97 56.49 2k49 s GLU 25 Cb 0.00 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2k49 s GLU 25 CO 0.00 -0.15 1.33 0.08 -0.54 0.00 0.00 175.26 175.98 2k49 s VAL 26 N 1.33 3.88 -0.05 3.70 1.01 -1.26 -0.97 120.40 128.04 2k49 s VAL 26 Ca 0.51 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.09 2k49 s VAL 26 Cb -0.21 -4.52 -0.31 0.00 0.00 0.00 0.00 36.38 31.34 2k49 s VAL 26 CO 0.25 -1.19 0.81 0.16 0.00 0.00 0.00 175.10 175.12 2k49 h ILE 27 N 6.31 1.33 -4.34 2.22 3.07 -1.34 -3.43 117.51 121.34 2k49 h ILE 27 Ca -0.26 -2.52 -0.56 0.00 1.55 0.00 0.00 64.86 63.07 2k49 h ILE 27 Cb 1.08 3.03 -0.29 0.00 -0.27 0.00 0.00 36.82 40.37 2k49 h ILE 27 CO 1.17 0.73 -0.84 -0.76 -1.05 0.00 0.00 178.15 177.40 2k49 s LEU 28 N -7.74 2.04 0.02 0.16 2.01 -1.21 -3.66 118.68 110.30 2k49 s LEU 28 Ca -0.15 -0.33 0.02 0.00 0.01 0.00 0.00 54.13 53.68 2k49 s LEU 28 Cb 0.02 -0.93 -0.02 0.00 0.01 0.00 0.00 46.19 45.28 2k49 s LEU 28 CO 0.83 0.22 -0.07 -0.89 1.01 0.00 0.00 176.35 177.45 2k49 s THR 29 N -0.43 0.53 0.00 5.49 2.01 0.75 -0.64 115.64 123.34 2k49 s THR 29 Ca 0.07 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2k49 s THR 29 Cb -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2k49 s THR 29 CO -0.01 -0.14 0.00 -0.24 -0.69 0.00 0.00 174.62 173.55 2k49 n SER 30 N 2.14 0.83 -3.09 3.53 2.88 -1.20 0.24 113.62 118.94 2k49 n SER 30 Ca -0.18 -0.76 -0.16 0.00 -1.33 0.00 0.00 58.87 56.44 2k49 n SER 30 Cb 0.56 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.13 2k49 n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k49 n GLU 31 N -0.45 -0.65 -3.20 -1.46 -0.58 -1.26 -4.86 120.64 108.19 2k49 n GLU 31 Ca 0.00 -1.18 -0.43 0.00 -0.42 0.00 0.00 57.16 55.13 2k49 n GLU 31 Cb 0.00 -0.73 -0.07 0.00 -0.57 0.00 0.00 31.44 30.06 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k49 s LEU 32 N 0.00 4.69 0.01 -4.62 1.43 -1.26 -4.53 118.68 114.41 2k49 s LEU 32 Ca 0.42 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 2k49 s LEU 32 Cb -0.01 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 2k49 s LEU 32 CO 0.29 -0.71 0.81 -0.31 0.23 0.00 0.00 176.35 176.66 2k49 s TYR 33 N 2.53 3.68 -0.15 0.29 1.51 0.39 -4.83 117.35 120.77 2k49 s TYR 33 Ca 0.18 1.49 0.25 0.00 -1.01 0.00 0.00 57.07 57.97 2k49 s TYR 33 Cb -0.16 -2.90 1.28 0.00 -0.11 0.00 0.00 41.96 40.08 2k49 s TYR 33 CO 0.16 0.16 1.76 1.79 -1.11 0.00 0.00 175.55 178.31 2k49 h THR 34 N 4.42 0.00 -3.30 -0.71 1.35 -1.92 0.39 112.91 113.14 2k49 h THR 34 Ca -0.42 -0.06 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 2k49 h THR 34 Cb 1.21 0.67 -0.21 0.00 -1.73 0.00 0.00 68.15 68.08 2k49 h THR 34 CO 0.73 0.00 -0.41 -0.83 -0.25 0.00 0.00 175.52 174.76 2k49 s GLY 35 N -3.64 -0.05 0.49 5.82 0.00 -1.26 -4.86 107.32 103.82 2k49 s GLY 35 Ca -0.01 0.14 0.16 0.00 0.00 0.00 0.00 44.72 45.00 2k49 s GLY 35 CO 0.27 -0.02 2.08 1.70 0.00 0.00 0.00 173.10 177.14 2k49 h LYS 36 N 4.36 0.00 0.53 2.90 3.64 -1.93 -2.85 116.57 123.21 2k49 h LYS 36 Ca -0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2k49 h LYS 36 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2k49 h LYS 36 CO 0.40 0.08 -0.46 1.03 -2.27 0.00 0.00 179.45 178.22 2k49 h SER 37 N 0.00 -1.25 -0.67 4.20 0.87 -1.97 -1.75 113.55 112.98 2k49 h SER 37 Ca -0.00 0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.76 2k49 h SER 37 Cb 0.14 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 2k49 h SER 37 CO 0.01 -0.63 0.44 1.23 -0.53 0.00 0.00 176.83 177.35 2k49 h GLY 38 N -0.97 0.70 0.96 5.77 0.00 -1.93 0.53 103.07 108.13 2k49 h GLY 38 Ca -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2k49 h GLY 38 CO -0.02 0.11 -0.17 0.00 0.00 0.00 0.00 176.54 176.46 2k49 h ALA 39 N 1.67 -0.48 -0.47 3.60 0.00 -1.28 -0.74 119.26 121.56 2k49 h ALA 39 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k49 h ALA 39 Cb 0.57 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k49 h ALA 39 CO -0.10 -0.75 0.09 0.52 0.00 0.00 0.00 179.25 179.02 2k49 h MET 40 N -0.53 0.78 -0.89 0.00 2.86 -0.67 -1.66 114.93 114.82 2k49 h MET 40 Ca -0.05 -0.20 0.18 0.00 -2.06 0.00 0.00 59.70 57.57 2k49 h MET 40 Cb 0.40 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.86 2k49 h MET 40 CO 0.08 0.78 0.46 -0.91 1.06 0.00 0.00 176.91 178.38 2k49 h ASN 41 N 0.65 0.52 -0.70 1.22 2.35 -0.87 0.16 115.58 118.91 2k49 h ASN 41 Ca 0.15 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 2k49 h ASN 41 Cb 0.37 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2k49 h ASN 41 CO 0.01 0.17 0.18 1.23 -1.65 0.00 0.00 177.43 177.36 2k49 h GLY 42 N 0.58 1.21 0.96 2.83 0.00 -0.63 -2.30 103.07 105.73 2k49 h GLY 42 Ca 0.51 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2k49 h GLY 42 CO -0.41 0.70 -0.10 -2.22 0.00 0.00 0.00 176.54 174.50 2k49 h ILE 43 N 1.07 0.80 -0.41 2.60 2.04 0.20 -0.40 117.51 123.41 2k49 h ILE 43 Ca 0.22 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2k49 h ILE 43 Cb 0.36 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2k49 h ILE 43 CO 0.00 0.02 0.07 1.05 0.00 0.00 0.00 178.15 179.29 2k49 h GLU 44 N -0.33 0.62 -0.37 2.37 4.11 -1.28 -0.29 114.58 119.41 2k49 h GLU 44 Ca -0.03 -0.12 0.02 0.00 0.07 0.00 0.00 59.36 59.30 2k49 h GLU 44 Cb 0.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2k49 h GLU 44 CO 0.05 0.60 0.20 0.77 0.07 0.00 0.00 179.01 180.70 2k49 h SER 45 N 0.60 0.31 -0.67 3.06 0.02 -1.11 -1.80 113.55 113.97 2k49 h SER 45 Ca 0.13 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2k49 h SER 45 Cb 0.28 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2k49 h SER 45 CO 0.00 0.23 0.39 0.58 -1.14 0.00 0.00 176.83 176.89 2k49 h VAL 46 N 0.41 1.20 -0.77 2.27 2.07 -0.25 0.12 116.25 121.30 2k49 h VAL 46 Ca 0.15 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.33 2k49 h VAL 46 Cb 0.03 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2k49 h VAL 46 CO -0.08 0.21 0.51 1.56 0.02 0.00 0.00 177.57 179.79 2k49 h GLN 47 N 0.91 0.56 0.14 1.57 4.20 -0.73 0.11 115.11 121.87 2k49 h GLN 47 Ca 0.24 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 2k49 h GLN 47 Cb -0.00 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.67 2k49 h GLN 47 CO -0.04 0.37 -0.87 1.15 -0.67 0.00 0.00 178.83 178.77 2k49 h THR 48 N 0.57 1.47 0.01 -0.54 2.02 -0.67 -3.39 112.91 112.38 2k49 h THR 48 Ca 0.37 -2.53 -0.21 0.00 0.77 0.00 0.00 66.41 64.82 2k49 h THR 48 Cb 0.65 3.16 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 2k49 h THR 48 CO -0.14 0.72 -0.99 0.78 0.37 0.00 0.00 175.52 176.25 2k49 h ASN 49 N -0.37 0.05 -0.41 4.18 2.35 -0.68 -3.37 115.58 117.33 2k49 h ASN 49 Ca -0.16 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2k49 h ASN 49 Cb 1.65 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.93 2k49 h ASN 49 CO 0.14 1.01 -0.10 0.28 -1.65 0.00 0.00 177.43 177.11 2k49 h SER 50 N 0.01 -0.38 0.48 5.81 0.02 -0.97 0.91 113.55 119.43 2k49 h SER 50 Ca -0.02 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k49 h SER 50 Cb 1.74 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2k49 h SER 50 CO 0.13 -0.13 0.00 1.55 -1.14 0.00 0.00 176.83 177.24 2k49 h PRO 51 N 0.00 0.00 -4.61 3.45 0.13 -1.74 -3.36 132.00 125.87 2k49 h PRO 51 Ca 0.20 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.61 2k49 h PRO 51 Cb 0.30 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.22 2k49 h PRO 51 CO -0.42 0.00 0.38 0.42 -0.23 0.00 0.00 178.00 178.15 2k49 s ILE 52 N -3.72 4.98 0.42 -3.56 1.01 0.31 -4.92 121.20 115.73 2k49 s ILE 52 Ca -0.01 -1.57 0.15 0.00 0.00 0.00 0.00 60.65 59.22 2k49 s ILE 52 Cb 0.10 -4.60 0.36 0.00 0.01 0.00 0.00 42.46 38.33 2k49 s ILE 52 CO 0.41 -1.25 1.90 -0.08 0.00 0.00 0.00 174.94 175.92 2k49 h GLU 53 N 8.70 0.43 0.00 2.79 4.81 -1.76 -2.35 114.58 127.19 2k49 h GLU 53 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k49 h GLU 53 Cb 1.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2k49 h GLU 53 CO 1.01 0.28 0.39 0.00 -0.73 0.00 0.00 179.01 179.96 2k49 h ALA 54 N 1.63 1.27 -0.30 2.92 0.00 -1.91 0.48 119.26 123.35 2k49 h ALA 54 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k49 h ALA 54 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k49 h ALA 54 CO -0.14 -0.27 0.00 0.54 0.00 0.00 0.00 179.25 179.38 2k49 n ARG 55 N -2.07 1.80 -1.94 0.00 5.12 -0.89 -4.96 116.66 113.73 2k49 n ARG 55 Ca -0.01 -1.13 -0.39 0.00 -1.93 0.00 0.00 57.85 54.40 2k49 n ARG 55 Cb 0.41 -1.30 0.02 0.00 -1.16 0.00 0.00 32.46 30.43 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 -1.60 2.55 -0.29 -1.55 -0.85 0.17 -2.86 117.35 112.92 2k49 s TYR 56 Ca 0.21 1.40 -0.03 0.00 -0.52 0.00 0.00 57.07 58.12 2k49 s TYR 56 Cb 0.11 -3.70 0.10 0.00 0.38 0.00 0.00 41.96 38.85 2k49 s TYR 56 CO 0.13 -2.44 0.12 0.00 -1.52 0.00 0.00 175.55 171.84 2k49 s ALA 57 N -1.33 0.82 -0.47 9.51 0.00 -0.77 -4.89 121.76 124.63 2k49 s ALA 57 Ca 0.65 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 2k49 s ALA 57 Cb -0.38 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.35 2k49 s ALA 57 CO 0.47 -1.62 1.06 0.15 0.00 0.00 0.00 175.76 175.82 2k49 s LYS 58 N 1.99 3.67 0.26 0.00 1.02 -1.26 -0.99 119.74 124.43 2k49 s LYS 58 Ca 0.09 0.44 0.10 0.00 0.02 0.00 0.00 55.97 56.61 2k49 s LYS 58 Cb -0.16 -3.91 -0.05 0.00 -0.52 0.00 0.00 37.83 33.19 2k49 s LYS 58 CO -0.32 -1.31 -0.07 -1.21 -0.92 0.00 0.00 175.35 171.52 2k49 s GLU 59 N 4.17 2.09 -0.04 1.68 0.41 0.30 -5.00 118.70 122.31 2k49 s GLU 59 Ca 0.44 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.48 2k49 s GLU 59 Cb -0.08 -2.04 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 2k49 s GLU 59 CO 0.29 0.36 -0.01 0.08 -0.49 0.00 0.00 175.26 175.50 2k49 s VAL 60 N -2.34 0.28 0.76 2.63 1.01 -1.26 -1.21 120.40 120.27 2k49 s VAL 60 Ca 0.30 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2k49 s VAL 60 Cb -0.06 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2k49 s VAL 60 CO 0.18 0.19 1.08 0.00 0.00 0.00 0.00 175.10 176.55 2k49 s ALA 61 N 1.28 2.37 0.39 5.51 0.00 0.32 -4.94 121.76 126.69 2k49 s ALA 61 Ca -0.06 0.06 0.25 0.00 0.00 0.00 0.00 51.96 52.21 2k49 s ALA 61 Cb -0.13 -3.19 1.30 0.00 0.00 0.00 0.00 23.12 21.10 2k49 s ALA 61 CO -0.02 -1.58 2.02 -0.22 0.00 0.00 0.00 175.76 175.96 2k49 h LYS 62 N -0.98 0.00 -0.87 0.00 3.64 -2.02 -1.11 116.57 115.23 2k49 h LYS 62 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2k49 h LYS 62 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2k49 h LYS 62 CO 0.56 0.16 0.00 0.09 -2.27 0.00 0.00 179.45 177.98 2k49 n ASN 63 N -3.71 1.15 0.00 4.20 4.13 -1.26 -4.84 115.26 114.92 2k49 n ASN 63 Ca -0.02 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.20 2k49 n ASN 63 Cb 0.27 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2k49 n ASP 64 N -0.01 -4.78 -4.63 6.41 8.00 -0.42 -4.98 116.55 116.14 2k49 n ASP 64 Ca 0.02 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 2k49 n ASP 64 Cb 0.27 -2.36 -0.08 0.00 -0.02 0.00 0.00 41.12 38.93 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 -1.24 4.10 0.31 -1.24 1.02 -1.25 -4.84 119.74 116.61 2k49 s LYS 65 Ca 0.00 0.24 -0.27 0.00 0.02 0.00 0.00 55.97 55.96 2k49 s LYS 65 Cb 0.00 -3.61 -0.09 0.00 -0.52 0.00 0.00 37.83 33.60 2k49 s LYS 65 CO 0.00 -0.23 1.04 -1.25 -0.92 0.00 0.00 175.35 173.99 2k49 s PRO 66 N 1.92 4.53 0.25 -1.68 0.04 -1.24 -0.52 135.00 138.29 2k49 s PRO 66 Ca 0.20 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 2k49 s PRO 66 Cb -0.15 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.44 2k49 s PRO 66 CO 0.09 0.17 0.40 2.48 0.04 0.00 0.00 177.00 180.18 2k49 n TYR 67 N 0.78 -1.38 -3.91 0.56 4.11 -0.35 -0.70 117.16 116.27 2k49 n TYR 67 Ca 0.01 -1.50 -0.10 0.00 -0.00 0.00 0.00 57.90 56.31 2k49 n TYR 67 Cb 0.47 0.46 -0.09 0.00 -0.00 0.00 0.00 39.34 40.18 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 -3.84 0.17 0.18 -3.48 -0.71 -1.26 -0.54 117.98 108.50 2k49 s PHE 68 Ca 0.17 -0.46 0.11 0.00 -1.04 0.00 0.00 56.93 55.72 2k49 s PHE 68 Cb -0.02 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 2k49 s PHE 68 CO 0.12 -0.39 -0.24 -0.80 -1.34 0.00 0.00 175.22 172.58 2k49 s ASN 69 N -2.14 3.47 -0.23 1.98 0.02 -0.17 -1.39 114.94 116.48 2k49 s ASN 69 Ca -0.05 -0.82 -0.03 0.00 -1.02 0.00 0.00 52.86 50.94 2k49 s ASN 69 Cb -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 41.25 40.98 2k49 s ASN 69 CO -0.05 0.14 -0.04 -0.22 0.02 0.00 0.00 177.10 176.95 2k49 s LEU 70 N -2.53 3.02 -0.06 0.60 2.96 0.29 -1.84 118.68 121.12 2k49 s LEU 70 Ca 0.19 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2k49 s LEU 70 Cb -0.08 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2k49 s LEU 70 CO 0.09 -0.06 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.47 2k49 s LYS 71 N 1.44 2.76 0.86 1.98 1.02 -1.13 -1.53 119.74 125.13 2k49 s LYS 71 Ca 0.04 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 2k49 s LYS 71 Cb -0.15 -2.62 0.17 0.00 -0.52 0.00 0.00 37.83 34.71 2k49 s LYS 71 CO -0.04 0.66 1.18 0.00 -0.92 0.00 0.00 175.35 176.24 2k49 s ALA 72 N -0.87 2.86 0.37 5.17 0.00 -0.91 -4.73 121.76 123.65 2k49 s ALA 72 Ca 0.14 -1.41 0.12 0.00 0.00 0.00 0.00 51.96 50.80 2k49 s ALA 72 Cb -0.11 -2.45 0.91 0.00 0.00 0.00 0.00 23.12 21.47 2k49 s ALA 72 CO 0.03 -2.01 1.84 0.00 0.00 0.00 0.00 175.76 175.62 2k49 h ALA 73 N -1.16 1.96 0.00 0.00 0.00 -1.99 0.34 119.26 118.40 2k49 h ALA 73 Ca -0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k49 h ALA 73 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k49 h ALA 73 CO 0.39 -0.25 0.00 -1.71 0.00 0.00 0.00 179.25 177.68 2k49 n ASN 74 N -4.58 0.00 -0.09 0.00 5.15 -1.26 -4.83 115.26 109.64 2k49 n ASN 74 Ca 0.20 -1.05 -0.01 0.00 -0.60 0.00 0.00 54.58 53.12 2k49 n ASN 74 Cb 0.59 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 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 -0.80 0.00 -2.55 1.20 8.25 0.12 -5.00 115.22 116.45 2k49 n HIS 75 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 2k49 n HIS 75 Cb 0.05 -0.87 -0.04 0.00 1.12 0.00 0.00 29.99 30.25 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 -1.04 3.84 -0.68 -0.41 -2.07 -1.25 -4.75 119.66 113.31 2k49 s GLN 76 Ca 0.00 1.37 -0.24 0.00 -1.82 0.00 0.00 55.36 54.67 2k49 s GLN 76 Cb 0.00 -2.13 0.05 0.00 -1.09 0.00 0.00 33.01 29.84 2k49 s GLN 76 CO 0.00 -0.40 1.08 0.42 -1.32 0.00 0.00 175.29 175.06 2k49 s ILE 77 N -1.95 4.11 -0.22 3.63 -1.09 -1.26 -2.15 121.20 122.27 2k49 s ILE 77 Ca 0.66 -0.01 0.20 0.00 -2.23 0.00 0.00 60.65 59.27 2k49 s ILE 77 Cb -0.17 -4.75 -0.29 0.00 -1.58 0.00 0.00 42.46 35.67 2k49 s ILE 77 CO 0.20 -1.56 0.53 2.30 -1.23 0.00 0.00 174.94 175.18 2k49 n ILE 78 N 6.12 0.00 -3.84 2.92 -5.35 -0.58 -4.76 119.36 113.87 2k49 n ILE 78 Ca -0.01 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2k49 n ILE 78 Cb 0.47 0.24 -0.14 0.00 -1.74 0.00 0.00 39.64 38.48 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 -4.01 -0.03 -0.05 3.28 0.00 -0.79 -4.49 107.32 101.22 2k49 s GLY 79 Ca -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 2k49 s GLY 79 CO 0.83 0.24 -0.00 -1.59 0.00 0.00 0.00 173.10 172.58 2k49 s THR 80 N 0.20 0.33 0.79 0.90 2.01 0.14 -0.55 115.64 119.45 2k49 s THR 80 Ca -0.01 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 2k49 s THR 80 Cb -0.02 -0.45 0.14 0.00 0.01 0.00 0.00 72.50 72.17 2k49 s THR 80 CO -0.01 0.22 1.09 -0.94 -0.69 0.00 0.00 174.62 174.29 2k49 s SER 81 N 1.58 4.06 0.54 3.53 1.04 -0.48 -0.18 113.70 123.78 2k49 s SER 81 Ca -0.01 -0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.13 2k49 s SER 81 Cb -0.13 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.70 2k49 s SER 81 CO -0.03 -2.07 1.17 -1.10 0.98 0.00 0.00 173.24 172.18 2k49 s GLN 82 N -5.36 3.34 -0.76 4.02 -0.21 -1.24 -4.78 119.66 114.66 2k49 s GLN 82 Ca 0.68 1.73 -0.26 0.00 0.02 0.00 0.00 55.36 57.53 2k49 s GLN 82 Cb -0.06 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.87 2k49 s GLN 82 CO 0.47 -0.88 1.59 0.00 -2.12 0.00 0.00 175.29 174.34 2k49 s MET 83 N -3.15 2.98 0.84 2.91 0.00 -1.26 -4.52 119.30 117.10 2k49 s MET 83 Ca 0.72 -0.10 -0.12 0.00 0.00 0.00 0.00 55.69 56.19 2k49 s MET 83 Cb -0.27 -4.55 0.10 0.00 0.00 0.00 0.00 34.83 30.10 2k49 s MET 83 CO 0.31 -2.52 1.16 0.71 0.00 0.00 0.00 175.02 174.68 2k49 s TYR 84 N 7.31 2.81 -0.10 3.16 2.02 0.12 -4.88 117.35 127.79 2k49 s TYR 84 Ca 0.52 0.80 0.13 0.00 -0.37 0.00 0.00 57.07 58.15 2k49 s TYR 84 Cb -0.08 -3.44 -0.24 0.00 -0.40 0.00 0.00 41.96 37.80 2k49 s TYR 84 CO 0.11 -1.96 0.45 -1.13 -1.57 0.00 0.00 175.55 171.45 2k49 n SER 85 N -3.46 0.73 -4.27 2.29 3.41 -1.26 -3.66 113.62 107.40 2k49 n SER 85 Ca 0.07 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.64 2k49 n SER 85 Cb 0.60 0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.57 2k49 n SER 85 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k49 s SER 86 N -5.99 3.09 0.38 4.04 0.15 -1.26 -4.91 113.70 109.20 2k49 s SER 86 Ca -0.08 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.14 2k49 s SER 86 Cb 0.07 -0.86 0.75 0.00 -1.71 0.00 0.00 66.02 64.27 2k49 s SER 86 CO 0.82 0.24 1.92 0.71 1.20 0.00 0.00 173.24 178.13 2k49 h THR 87 N 5.07 1.17 -0.34 6.45 1.35 -1.92 -1.13 112.91 123.55 2k49 h THR 87 Ca -0.32 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 2k49 h THR 87 Cb 1.18 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 2k49 h THR 87 CO 0.47 0.23 0.13 0.00 -0.25 0.00 0.00 175.52 176.11 2k49 h ALA 88 N 1.62 0.45 -0.10 6.62 0.00 -1.99 -1.04 119.26 124.81 2k49 h ALA 88 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k49 h ALA 88 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k49 h ALA 88 CO 0.01 0.06 -0.10 0.00 0.00 0.00 0.00 179.25 179.22 2k49 h ALA 89 N 0.97 1.65 -0.19 0.00 0.00 -1.87 0.90 119.26 120.72 2k49 h ALA 89 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k49 h ALA 89 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k49 h ALA 89 CO -0.01 0.26 0.03 -0.09 0.00 0.00 0.00 179.25 179.45 2k49 h ARG 90 N 0.15 0.32 -0.23 0.00 1.12 -0.73 0.24 114.38 115.25 2k49 h ARG 90 Ca 0.03 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 58.80 2k49 h ARG 90 Cb 0.28 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2k49 h ARG 90 CO 0.02 0.48 0.06 0.22 -3.11 0.00 0.00 179.97 177.63 2k49 h ASP 91 N 0.11 0.35 -0.44 -3.80 3.58 -0.83 -2.19 116.42 113.19 2k49 h ASP 91 Ca 0.06 -0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.35 2k49 h ASP 91 Cb 0.31 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2k49 h ASP 91 CO 0.00 0.48 0.30 0.78 -2.88 0.00 0.00 179.24 177.92 2k49 h ASN 92 N 0.20 0.29 -0.52 2.28 4.21 -0.79 -0.93 115.58 120.31 2k49 h ASN 92 Ca 0.07 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.58 2k49 h ASN 92 Cb 0.27 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 2k49 h ASN 92 CO 0.00 0.19 0.31 1.23 -1.29 0.00 0.00 177.43 177.87 2k49 h GLY 93 N 0.33 0.76 0.67 2.83 0.00 -0.02 0.23 103.07 107.87 2k49 h GLY 93 Ca 0.19 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.26 2k49 h GLY 93 CO -0.04 0.31 0.32 -2.22 0.00 0.00 0.00 176.54 174.91 2k49 h ILE 94 N 0.70 0.95 -0.46 2.60 2.04 -0.60 -0.77 117.51 121.97 2k49 h ILE 94 Ca 0.19 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2k49 h ILE 94 Cb -0.01 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2k49 h ILE 94 CO -0.03 0.11 -0.10 0.11 0.00 0.00 0.00 178.15 178.23 2k49 h LYS 95 N 0.60 0.82 -0.69 2.37 1.57 -1.11 -2.25 116.57 117.88 2k49 h LYS 95 Ca 0.28 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2k49 h LYS 95 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2k49 h LYS 95 CO -0.19 0.89 0.32 0.77 -0.57 0.00 0.00 179.45 180.67 2k49 h SER 96 N 0.74 0.90 0.90 0.86 0.02 0.24 -2.32 113.55 114.90 2k49 h SER 96 Ca 0.13 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 2k49 h SER 96 Cb 0.59 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2k49 h SER 96 CO 0.04 0.77 -0.77 1.62 -1.14 0.00 0.00 176.83 177.35 2k49 h VAL 97 N 0.98 1.47 -0.81 2.27 3.04 -1.04 -0.39 116.25 121.77 2k49 h VAL 97 Ca 0.24 -2.70 0.01 0.00 -1.01 0.00 0.00 66.70 63.24 2k49 h VAL 97 Cb 0.12 2.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.85 2k49 h VAL 97 CO -0.03 0.75 0.53 0.24 -1.01 0.00 0.00 177.57 178.05 2k49 h MET 98 N 0.00 1.07 0.07 4.17 2.07 -0.99 0.51 114.93 121.83 2k49 h MET 98 Ca -0.01 -0.07 -0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2k49 h MET 98 Cb 1.43 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 30.92 2k49 h MET 98 CO 0.10 0.72 -0.03 0.93 1.07 0.00 0.00 176.91 179.70 2k49 h GLU 99 N 1.10 -0.09 0.00 1.72 4.39 -1.36 -3.38 114.58 116.97 2k49 h GLU 99 Ca 0.30 0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.76 2k49 h GLU 99 Cb -0.12 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2k49 h GLU 99 CO -0.06 0.50 -1.39 -0.91 -1.16 0.00 0.00 179.01 175.99 2k49 h ASN 100 N -0.82 0.00 0.06 1.42 2.35 -1.09 -3.36 115.58 114.15 2k49 h ASN 100 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2k49 h ASN 100 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2k49 h ASN 100 CO 0.01 0.96 -0.09 1.23 -1.65 0.00 0.00 177.43 177.89 2k49 h GLY 101 N 3.33 0.09 -3.15 2.83 0.00 -0.15 -3.01 103.07 103.01 2k49 h GLY 101 Ca -0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2k49 h GLY 101 CO 0.10 0.04 -0.03 0.58 0.00 0.00 0.00 176.54 177.23 2k49 n LYS 102 N -4.39 1.02 -4.05 4.80 2.85 -1.26 -4.13 118.16 113.00 2k49 n LYS 102 Ca -0.02 -0.08 -0.34 0.00 -1.05 0.00 0.00 58.31 56.82 2k49 n LYS 102 Cb 0.19 -1.11 -0.07 0.00 -0.65 0.00 0.00 35.03 33.40 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 0.21 4.96 -2.63 0.58 -1.32 -1.14 -5.00 115.64 111.29 2k49 s THR 103 Ca 0.05 -0.24 0.24 0.00 -1.21 0.00 0.00 61.69 60.53 2k49 s THR 103 Cb 0.03 -3.24 0.37 0.00 -1.51 0.00 0.00 72.50 68.14 2k49 s THR 103 CO 0.00 0.42 1.43 0.35 -2.21 0.00 0.00 174.62 174.60 2k49 n THR 104 N 1.37 0.21 -2.75 5.08 -2.24 -1.26 -4.87 114.28 109.82 2k49 n THR 104 Ca -0.14 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 2k49 n THR 104 Cb 0.53 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.79 4.29 -0.21 4.28 2.01 -1.26 -5.01 115.64 117.94 2k49 s THR 105 Ca 0.34 0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2k49 s THR 105 Cb 0.21 -4.58 0.04 0.00 0.01 0.00 0.00 72.50 68.18 2k49 s THR 105 CO 0.30 -1.13 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.32 2k49 s ILE 106 N 4.23 2.07 -0.32 1.82 1.01 -1.26 -1.97 121.20 126.77 2k49 s ILE 106 Ca 0.36 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 2k49 s ILE 106 Cb -0.10 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.37 2k49 s ILE 106 CO 0.23 0.29 0.99 -0.54 0.00 0.00 0.00 174.94 175.91 2k49 s LYS 107 N 1.23 4.02 -0.60 2.79 1.02 0.16 -4.96 119.74 123.39 2k49 s LYS 107 Ca -0.01 0.90 -0.22 0.00 0.02 0.00 0.00 55.97 56.67 2k49 s LYS 107 Cb -0.16 -3.74 0.07 0.00 -0.52 0.00 0.00 37.83 33.48 2k49 s LYS 107 CO -0.10 -0.86 0.85 0.34 -0.92 0.00 0.00 175.35 174.67 2k49 s ASP 108 N 1.67 6.21 0.00 2.83 2.15 -1.26 -0.37 116.67 127.90 2k49 s ASP 108 Ca 0.42 -0.96 0.19 0.00 0.43 0.00 0.00 52.55 52.63 2k49 s ASP 108 Cb -0.13 -2.38 0.50 0.00 -0.30 0.00 0.00 42.92 40.62 2k49 s ASP 108 CO 0.15 -1.25 1.42 0.18 -0.17 0.00 0.00 175.17 175.50 2k49 n LEU 109 N 7.13 3.55 0.16 -1.34 4.77 0.15 -4.44 117.00 126.98 2k49 n LEU 109 Ca -0.04 -1.90 0.04 0.00 -0.03 0.00 0.00 56.01 54.08 2k49 n LEU 109 Cb 0.45 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2k49 n LEU 109 CO 0.61 0.87 0.57 0.71 -1.33 0.00 0.00 177.39 178.82 2k49 h THR 110 N 3.63 0.81 -0.44 -5.08 1.35 -1.84 -3.30 112.91 108.02 2k49 h THR 110 Ca 0.00 -1.89 0.04 0.00 -0.55 0.00 0.00 66.41 64.02 2k49 h THR 110 Cb 0.90 2.21 -0.04 0.00 -1.73 0.00 0.00 68.15 69.49 2k49 h THR 110 CO 0.00 0.42 0.20 -0.07 -0.25 0.00 0.00 175.52 175.81 2k49 h LEU 111 N 0.00 0.26 -7.01 3.87 3.38 -1.91 -3.45 115.31 110.45 2k49 h LEU 111 Ca -0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2k49 h LEU 111 Cb 1.18 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 2k49 h LEU 111 CO 0.06 0.19 0.20 -1.83 0.09 0.00 0.00 178.44 177.14 2k49 s GLU 112 N -6.14 1.25 -0.35 1.13 -1.05 -1.24 -5.13 118.70 107.17 2k49 s GLU 112 Ca -0.13 -0.42 -0.04 0.00 -0.15 0.00 0.00 54.97 54.24 2k49 s GLU 112 Cb 0.13 0.58 0.19 0.00 -0.44 0.00 0.00 34.13 34.58 2k49 s GLU 112 CO 0.72 -0.54 0.90 -3.38 0.95 0.00 0.00 175.26 173.92 2k49 s HIS 113 N -3.54 -0.84 0.17 4.83 -3.43 -1.26 -4.89 115.29 106.33 2k49 s HIS 113 Ca 0.00 0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 54.11 2k49 s HIS 113 Cb -0.01 0.15 -0.07 0.00 -1.43 0.00 0.00 32.58 31.22 2k49 s HIS 113 CO -0.11 -0.57 0.99 -3.38 -2.00 0.00 0.00 174.74 169.68 2k49 s HIS 114 N 1.98 3.80 0.24 0.38 -3.43 -1.26 -5.04 115.29 111.96 2k49 s HIS 114 Ca 0.15 1.78 -0.20 0.00 -0.80 0.00 0.00 55.06 55.99 2k49 s HIS 114 Cb 0.00 -3.10 0.03 0.00 -1.43 0.00 0.00 32.58 28.09 2k49 s HIS 114 CO -0.13 0.05 0.64 -3.38 -2.00 0.00 0.00 174.74 169.93 2k49 s HIS 115 N -0.40 -0.19 0.49 0.38 -3.43 -1.26 -5.18 115.29 105.70 2k49 s HIS 115 Ca 0.46 -0.20 0.04 0.00 -0.80 0.00 0.00 55.06 54.56 2k49 s HIS 115 Cb -0.26 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.51 2k49 s HIS 115 CO 0.32 -1.10 0.30 0.72 -2.00 0.00 0.00 174.74 172.98 2k49 n HIS 116 N -0.42 -0.33 -3.72 0.38 8.25 -1.26 -5.16 115.22 112.95 2k49 n HIS 116 Ca -0.07 -2.14 -0.12 0.00 -0.26 0.00 0.00 57.72 55.13 2k49 n HIS 116 Cb 0.61 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 2k49 n HIS 116 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k49 s HIS 117 N -2.51 -0.49 -2.70 4.41 2.46 -1.26 -5.33 115.29 109.87 2k49 s HIS 117 Ca 0.23 1.11 0.22 0.00 0.47 0.00 0.00 55.06 57.08 2k49 s HIS 117 Cb -0.02 0.19 0.17 0.00 -0.13 0.00 0.00 32.58 32.79 2k49 s HIS 117 CO 0.14 -0.27 1.19 -2.39 -2.47 0.00 0.00 174.74 170.94