#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 1.51 0.00 3.17 0.01 -1.26 -4.64 113.70 112.49 2k49 s SER 2 Ca 0.00 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.72 2k49 s SER 2 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2k49 s SER 2 CO 0.00 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2k49 n GLY 3 N -0.57 4.58 3.57 3.44 0.00 -1.22 -3.23 105.19 111.75 2k49 n GLY 3 Ca 0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 2.83 -0.39 -0.17 1.61 -2.14 -0.41 -4.78 118.94 115.49 2k49 s TRP 4 Ca 0.00 0.12 -0.05 0.00 2.66 0.00 0.00 56.10 58.82 2k49 s TRP 4 Cb 0.00 0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 30.94 2k49 s TRP 4 CO 0.00 -0.89 0.01 0.71 -2.66 0.00 0.00 176.95 174.11 2k49 s TYR 5 N -3.65 3.13 -0.21 1.66 1.51 -0.25 -0.65 117.35 118.88 2k49 s TYR 5 Ca 0.05 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2k49 s TYR 5 Cb -0.02 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 2k49 s TYR 5 CO -0.06 0.05 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.11 2k49 s GLU 6 N 0.36 3.10 -0.10 -0.62 2.02 0.04 0.16 118.70 123.66 2k49 s GLU 6 Ca -0.01 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 2k49 s GLU 6 Cb -0.13 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2k49 s GLU 6 CO 0.02 -0.25 0.54 -1.17 0.02 0.00 0.00 175.26 174.41 2k49 s LEU 7 N 1.37 4.30 0.23 1.80 2.96 -0.00 -0.39 118.68 128.94 2k49 s LEU 7 Ca 0.04 0.93 0.11 0.00 -0.22 0.00 0.00 54.13 54.99 2k49 s LEU 7 Cb -0.14 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 2k49 s LEU 7 CO -0.07 -0.02 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.79 2k49 s SER 8 N 0.60 3.30 -0.17 3.68 1.04 0.53 -0.62 113.70 122.06 2k49 s SER 8 Ca 0.29 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 2k49 s SER 8 Cb -0.16 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2k49 s SER 8 CO 0.13 0.03 0.05 -0.75 0.98 0.00 0.00 173.24 173.68 2k49 s LYS 9 N -3.14 3.87 0.67 4.02 2.36 -1.26 -1.96 119.74 124.30 2k49 s LYS 9 Ca 0.24 -0.36 -0.01 0.00 -2.55 0.00 0.00 55.97 53.29 2k49 s LYS 9 Cb -0.06 -3.15 0.09 0.00 -1.05 0.00 0.00 37.83 33.66 2k49 s LYS 9 CO 0.11 0.32 0.94 0.45 1.55 0.00 0.00 175.35 178.72 2k49 s SER 10 N 0.23 4.65 0.26 1.43 0.15 0.53 -4.95 113.70 116.00 2k49 s SER 10 Ca 0.03 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.50 2k49 s SER 10 Cb -0.12 -0.40 0.33 0.00 -1.71 0.00 0.00 66.02 64.12 2k49 s SER 10 CO 0.01 -1.63 1.80 0.77 1.20 0.00 0.00 173.24 175.38 2k49 h SER 11 N -0.38 0.85 -0.05 5.45 4.64 -2.00 -0.75 113.55 121.31 2k49 h SER 11 Ca -0.39 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2k49 h SER 11 Cb 1.28 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2k49 h SER 11 CO 0.46 0.83 0.00 0.59 -0.87 0.00 0.00 176.83 177.84 2k49 n ASN 12 N -4.26 0.33 -0.43 4.97 3.02 -1.26 -4.85 115.26 112.77 2k49 n ASN 12 Ca 0.04 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.53 2k49 n ASN 12 Cb 0.23 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.32 -5.17 -4.82 6.41 8.00 -0.29 -5.00 116.55 115.36 2k49 n ASP 13 Ca 0.02 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 2k49 n ASP 13 Cb 0.06 -3.17 0.09 0.00 -0.02 0.00 0.00 41.12 38.07 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 2.16 -0.06 -1.24 -0.21 -1.26 -4.69 119.66 112.18 2k49 s GLN 14 Ca 0.00 0.59 0.05 0.00 0.02 0.00 0.00 55.36 56.02 2k49 s GLN 14 Cb 0.00 -1.93 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 2k49 s GLN 14 CO 0.00 -1.56 -0.19 -0.06 -2.12 0.00 0.00 175.29 171.36 2k49 s PHE 15 N -3.20 2.58 -0.08 0.91 0.08 -1.13 -0.35 117.98 116.79 2k49 s PHE 15 Ca 0.61 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 2k49 s PHE 15 Cb -0.14 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2k49 s PHE 15 CO 0.54 -0.02 0.18 -1.59 -0.10 0.00 0.00 175.22 174.22 2k49 s LYS 16 N -0.40 0.14 0.14 0.44 -2.85 -0.83 -1.07 119.74 115.32 2k49 s LYS 16 Ca 0.04 0.39 0.07 0.00 -1.00 0.00 0.00 55.97 55.47 2k49 s LYS 16 Cb -0.12 -0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.50 2k49 s LYS 16 CO 0.02 -0.14 -0.06 -0.59 0.10 0.00 0.00 175.35 174.68 2k49 s PHE 17 N 0.97 2.76 -0.08 1.78 -0.71 -1.26 -0.35 117.98 121.09 2k49 s PHE 17 Ca -0.07 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.69 2k49 s PHE 17 Cb -0.09 -1.39 0.01 0.00 -1.21 0.00 0.00 43.02 40.34 2k49 s PHE 17 CO -0.05 0.48 -0.18 0.14 -1.34 0.00 0.00 175.22 174.27 2k49 s VAL 18 N -1.51 1.57 -0.35 -2.49 -7.23 0.48 -1.12 120.40 109.75 2k49 s VAL 18 Ca 0.24 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.48 2k49 s VAL 18 Cb -0.10 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.45 2k49 s VAL 18 CO 0.16 0.45 0.63 -0.22 -0.31 0.00 0.00 175.10 175.81 2k49 s LEU 19 N 0.53 4.26 -0.08 1.32 2.96 0.54 -0.78 118.68 127.42 2k49 s LEU 19 Ca -0.16 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2k49 s LEU 19 Cb -0.17 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 2k49 s LEU 19 CO 0.06 -0.58 0.22 -0.54 -1.32 0.00 0.00 176.35 174.19 2k49 s LYS 20 N 2.68 3.60 0.93 1.98 1.02 0.17 -0.75 119.74 129.38 2k49 s LYS 20 Ca 0.24 0.03 -0.15 0.00 0.02 0.00 0.00 55.97 56.12 2k49 s LYS 20 Cb -0.15 -3.20 0.17 0.00 -0.52 0.00 0.00 37.83 34.13 2k49 s LYS 20 CO 0.15 0.75 1.24 0.00 -0.92 0.00 0.00 175.35 176.56 2k49 s ALA 21 N -1.02 2.15 0.57 5.17 0.00 0.35 -1.29 121.76 127.68 2k49 s ALA 21 Ca 0.18 -0.94 0.27 0.00 0.00 0.00 0.00 51.96 51.47 2k49 s ALA 21 Cb -0.13 -2.87 1.51 0.00 0.00 0.00 0.00 23.12 21.63 2k49 s ALA 21 CO 0.07 -2.31 2.02 0.78 0.00 0.00 0.00 175.76 176.32 2k49 h GLY 22 N -1.54 0.00 0.64 0.00 0.00 -1.88 0.66 103.07 100.93 2k49 h GLY 22 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2k49 h GLY 22 CO 0.49 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.19 2k49 n ASN 23 N -4.02 0.34 0.00 0.19 6.94 -1.26 -4.90 115.26 112.55 2k49 n ASN 23 Ca 0.06 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 2k49 n ASN 23 Cb 0.48 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 1.03 0.74 3.86 4.83 0.00 0.22 -5.06 105.19 110.82 2k49 n GLY 24 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.53 3.75 -0.28 1.61 2.56 -1.26 -4.81 118.70 119.74 2k49 s GLU 25 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 54.97 54.86 2k49 s GLU 25 Cb 0.00 -3.08 0.01 0.00 2.00 0.00 0.00 34.13 33.05 2k49 s GLU 25 CO 0.00 0.62 1.17 0.08 -0.56 0.00 0.00 175.26 176.58 2k49 s VAL 26 N -1.27 4.37 -0.16 3.70 1.01 -1.26 -0.50 120.40 126.29 2k49 s VAL 26 Ca 0.28 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 2k49 s VAL 26 Cb -0.14 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 2k49 s VAL 26 CO 0.15 -0.41 0.27 2.30 0.00 0.00 0.00 175.10 177.42 2k49 n ILE 27 N 5.87 1.68 -4.84 2.22 -5.35 0.07 -4.73 119.36 114.28 2k49 n ILE 27 Ca 0.13 -0.42 -0.28 0.00 -0.27 0.00 0.00 62.75 61.92 2k49 n ILE 27 Cb 0.47 -1.84 -0.17 0.00 -1.74 0.00 0.00 39.64 36.35 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 -7.35 1.83 -0.07 7.28 2.01 -1.18 -3.26 118.68 117.95 2k49 s LEU 28 Ca -0.26 -0.41 0.06 0.00 0.01 0.00 0.00 54.13 53.53 2k49 s LEU 28 Cb 0.07 -1.08 -0.01 0.00 0.01 0.00 0.00 46.19 45.18 2k49 s LEU 28 CO 0.69 0.09 -0.25 -0.89 1.01 0.00 0.00 176.35 177.00 2k49 s THR 29 N 0.54 2.05 0.72 5.49 2.01 0.44 -0.34 115.64 126.56 2k49 s THR 29 Ca -0.16 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.72 2k49 s THR 29 Cb -0.17 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.68 2k49 s THR 29 CO 0.06 0.57 1.03 -0.94 -0.69 0.00 0.00 174.62 174.64 2k49 s SER 30 N -0.03 4.62 0.46 3.53 1.04 -0.28 0.82 113.70 123.86 2k49 s SER 30 Ca -0.08 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 2k49 s SER 30 Cb -0.15 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.08 2k49 s SER 30 CO 0.05 -1.71 0.05 -0.62 0.98 0.00 0.00 173.24 171.99 2k49 n GLU 31 N -2.97 0.52 -2.79 4.02 -0.58 -1.26 -4.67 120.64 112.91 2k49 n GLU 31 Ca 0.09 -0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.27 2k49 n GLU 31 Cb 0.60 -0.04 -0.04 0.00 -0.57 0.00 0.00 31.44 31.40 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 3.97 0.58 -4.62 1.43 -1.26 -4.29 118.68 114.49 2k49 s LEU 32 Ca 0.03 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 2k49 s LEU 32 Cb -0.00 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 2k49 s LEU 32 CO 0.02 -1.24 1.01 -0.31 0.23 0.00 0.00 176.35 176.07 2k49 s TYR 33 N 4.10 3.53 0.07 0.29 1.51 -0.24 -4.86 117.35 121.75 2k49 s TYR 33 Ca 0.34 1.37 -0.19 0.00 -1.01 0.00 0.00 57.07 57.57 2k49 s TYR 33 Cb -0.11 -2.76 -0.10 0.00 -0.11 0.00 0.00 41.96 38.88 2k49 s TYR 33 CO 0.22 -0.60 1.50 1.79 -1.11 0.00 0.00 175.55 177.35 2k49 h THR 34 N 0.16 1.26 -4.27 -0.71 1.35 -1.96 -3.00 112.91 105.74 2k49 h THR 34 Ca -0.45 -0.91 -0.17 0.00 -0.55 0.00 0.00 66.41 64.33 2k49 h THR 34 Cb 1.19 1.44 -0.13 0.00 -1.73 0.00 0.00 68.15 68.91 2k49 h THR 34 CO 0.61 0.28 -0.47 -0.83 -0.25 0.00 0.00 175.52 174.86 2k49 s GLY 35 N -3.11 1.06 0.45 5.82 0.00 -1.26 -4.76 107.32 105.53 2k49 s GLY 35 Ca -0.14 -1.39 0.15 0.00 0.00 0.00 0.00 44.72 43.35 2k49 s GLY 35 CO 0.74 -1.15 2.00 1.70 0.00 0.00 0.00 173.10 176.39 2k49 h LYS 36 N 2.56 0.00 -0.05 2.90 3.64 -1.93 -1.86 116.57 121.82 2k49 h LYS 36 Ca -0.33 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2k49 h LYS 36 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2k49 h LYS 36 CO 0.49 0.17 -0.10 1.03 -2.27 0.00 0.00 179.45 178.78 2k49 h SER 37 N 0.00 -0.29 0.35 4.20 0.87 -1.99 0.50 113.55 117.18 2k49 h SER 37 Ca -0.00 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 2k49 h SER 37 Cb 0.31 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2k49 h SER 37 CO 0.02 -0.14 -0.57 1.23 -0.53 0.00 0.00 176.83 176.85 2k49 h GLY 38 N -0.14 0.26 0.89 5.77 0.00 -1.93 -2.33 103.07 105.59 2k49 h GLY 38 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2k49 h GLY 38 CO -0.14 0.27 -0.08 0.00 0.00 0.00 0.00 176.54 176.60 2k49 h ALA 39 N 1.23 -0.21 -0.42 3.60 0.00 -0.97 0.55 119.26 123.03 2k49 h ALA 39 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k49 h ALA 39 Cb 1.06 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k49 h ALA 39 CO 0.09 -0.56 0.12 0.52 0.00 0.00 0.00 179.25 179.41 2k49 h MET 40 N -0.33 0.67 -0.90 0.00 2.86 -0.96 -1.56 114.93 114.71 2k49 h MET 40 Ca -0.02 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2k49 h MET 40 Cb 0.26 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 2k49 h MET 40 CO 0.04 0.67 0.58 -0.97 1.06 0.00 0.00 176.91 178.28 2k49 h ASN 41 N 0.55 0.66 -0.88 1.22 -1.24 -1.38 0.14 115.58 114.64 2k49 h ASN 41 Ca 0.13 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 2k49 h ASN 41 Cb 0.29 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 2k49 h ASN 41 CO -0.00 0.33 0.50 1.23 -1.29 0.00 0.00 177.43 178.20 2k49 h GLY 42 N 0.69 1.30 0.89 1.57 0.00 -0.01 0.12 103.07 107.64 2k49 h GLY 42 Ca 0.45 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2k49 h GLY 42 CO -0.21 0.55 0.06 -2.22 0.00 0.00 0.00 176.54 174.72 2k49 h ILE 43 N 1.22 1.14 -0.83 2.60 2.04 0.12 0.22 117.51 124.02 2k49 h ILE 43 Ca 0.31 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2k49 h ILE 43 Cb 0.00 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2k49 h ILE 43 CO -0.05 0.13 0.49 -0.33 0.00 0.00 0.00 178.15 178.38 2k49 h GLU 44 N 0.07 1.14 -0.61 2.37 5.08 -1.00 -1.06 114.58 120.57 2k49 h GLU 44 Ca 0.05 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2k49 h GLU 44 Cb 0.15 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2k49 h GLU 44 CO -0.00 0.81 0.34 1.03 -1.00 0.00 0.00 179.01 180.18 2k49 h SER 45 N 1.15 0.76 -0.49 1.42 0.87 -0.43 -1.95 113.55 114.88 2k49 h SER 45 Ca 0.30 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2k49 h SER 45 Cb -0.03 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 2k49 h SER 45 CO -0.05 0.63 0.30 0.58 -0.53 0.00 0.00 176.83 177.75 2k49 h VAL 46 N 0.83 1.06 -0.58 2.23 2.07 -0.28 0.29 116.25 121.86 2k49 h VAL 46 Ca 0.21 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2k49 h VAL 46 Cb 0.03 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2k49 h VAL 46 CO -0.04 0.11 0.39 1.56 0.02 0.00 0.00 177.57 179.61 2k49 h GLN 47 N 0.60 0.49 0.11 1.57 4.20 -0.88 0.26 115.11 121.45 2k49 h GLN 47 Ca 0.19 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.66 2k49 h GLN 47 Cb 0.00 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.69 2k49 h GLN 47 CO -0.08 0.32 -0.92 1.15 -0.67 0.00 0.00 178.83 178.64 2k49 h THR 48 N 0.50 1.41 0.00 -0.54 2.02 -0.64 -3.39 112.91 112.28 2k49 h THR 48 Ca 0.26 -2.40 -0.23 0.00 0.77 0.00 0.00 66.41 64.81 2k49 h THR 48 Cb 0.37 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 2k49 h THR 48 CO -0.07 0.70 -1.15 0.78 0.37 0.00 0.00 175.52 176.15 2k49 h ASN 49 N -0.10 0.02 -0.38 4.18 2.35 0.07 -3.36 115.58 118.36 2k49 h ASN 49 Ca -0.14 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2k49 h ASN 49 Cb 1.66 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.97 2k49 h ASN 49 CO 0.17 1.01 0.01 0.28 -1.65 0.00 0.00 177.43 177.26 2k49 h SER 50 N 0.00 -0.14 0.34 5.81 0.02 -0.69 0.88 113.55 119.78 2k49 h SER 50 Ca -0.07 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k49 h SER 50 Cb 1.82 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.51 2k49 h SER 50 CO 0.12 -0.03 0.00 -0.81 -1.14 0.00 0.00 176.83 174.97 2k49 n PRO 51 N -5.18 0.27 -3.49 3.45 -0.04 -1.26 -4.26 135.00 124.49 2k49 n PRO 51 Ca 0.02 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 2k49 n PRO 51 Cb 0.19 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.55 4.82 0.54 0.52 1.01 0.30 -4.94 121.20 120.91 2k49 s ILE 52 Ca 0.18 -2.69 0.30 0.00 0.00 0.00 0.00 60.65 58.44 2k49 s ILE 52 Cb 0.12 -4.03 0.45 0.00 0.01 0.00 0.00 42.46 39.01 2k49 s ILE 52 CO 0.28 -0.97 1.92 -0.33 0.00 0.00 0.00 174.94 175.84 2k49 h GLU 53 N 7.45 0.00 0.00 2.79 5.08 -1.76 -1.75 114.58 126.40 2k49 h GLU 53 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k49 h GLU 53 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2k49 h GLU 53 CO 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 2k49 n ALA 54 N -2.64 1.28 -0.60 3.43 0.00 -1.26 -1.20 120.51 119.51 2k49 n ALA 54 Ca 0.15 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.66 2k49 n ALA 54 Cb 0.83 -1.04 0.36 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.32 4.04 -2.18 0.00 5.12 -0.66 -4.99 116.66 116.67 2k49 n ARG 55 Ca 0.01 -2.82 -0.34 0.00 -1.93 0.00 0.00 57.85 52.78 2k49 n ARG 55 Cb 0.02 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 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 -2.16 2.88 -0.18 -1.55 1.13 -0.35 -3.57 117.35 113.54 2k49 s TYR 56 Ca 0.50 1.54 -0.05 0.00 -1.41 0.00 0.00 57.07 57.65 2k49 s TYR 56 Cb 0.34 -3.10 0.07 0.00 -1.10 0.00 0.00 41.96 38.18 2k49 s TYR 56 CO 0.20 -1.21 0.14 0.00 -2.51 0.00 0.00 175.55 172.17 2k49 s ALA 57 N -2.18 0.14 -0.39 9.51 0.00 -1.01 -4.95 121.76 122.89 2k49 s ALA 57 Ca 0.67 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 2k49 s ALA 57 Cb -0.18 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.80 2k49 s ALA 57 CO 0.31 -1.19 0.84 0.15 0.00 0.00 0.00 175.76 175.86 2k49 s LYS 58 N 2.22 3.71 -0.03 0.00 -0.14 -1.26 -1.74 119.74 122.50 2k49 s LYS 58 Ca 0.04 0.31 0.05 0.00 -1.36 0.00 0.00 55.97 55.02 2k49 s LYS 58 Cb -0.16 -3.84 -0.01 0.00 -1.68 0.00 0.00 37.83 32.15 2k49 s LYS 58 CO -0.11 -0.95 -0.19 -1.21 -0.76 0.00 0.00 175.35 172.14 2k49 s GLU 59 N 3.29 1.73 -0.08 1.68 0.41 -0.88 -5.02 118.70 119.83 2k49 s GLU 59 Ca 0.33 -0.68 0.01 0.00 -0.41 0.00 0.00 54.97 54.23 2k49 s GLU 59 Cb -0.12 -1.58 0.02 0.00 -1.78 0.00 0.00 34.13 30.66 2k49 s GLU 59 CO 0.19 0.35 -0.09 0.08 -0.49 0.00 0.00 175.26 175.30 2k49 s VAL 60 N -0.24 0.96 0.37 2.63 1.01 -1.26 -0.56 120.40 123.30 2k49 s VAL 60 Ca 0.02 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2k49 s VAL 60 Cb -0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 2k49 s VAL 60 CO 0.01 0.33 1.23 0.00 0.00 0.00 0.00 175.10 176.67 2k49 s ALA 61 N 1.15 3.29 -1.86 5.51 0.00 0.03 -4.89 121.76 124.99 2k49 s ALA 61 Ca -0.06 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.07 2k49 s ALA 61 Cb -0.14 -3.43 0.34 0.00 0.00 0.00 0.00 23.12 19.89 2k49 s ALA 61 CO -0.02 -0.61 0.87 1.63 0.00 0.00 0.00 175.76 177.64 2k49 n LYS 62 N 0.37 0.16 -0.64 0.00 4.76 -1.26 0.07 118.16 121.61 2k49 n LYS 62 Ca 0.03 0.06 0.02 0.00 -2.87 0.00 0.00 58.31 55.55 2k49 n LYS 62 Cb 0.44 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.40 2k49 n LYS 62 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2k49 n ASN 63 N -1.07 4.18 -1.66 4.39 3.02 -1.26 -4.90 115.26 117.97 2k49 n ASN 63 Ca 0.04 -2.69 -0.18 0.00 -0.03 0.00 0.00 54.58 51.72 2k49 n ASN 63 Cb 0.03 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.32 -5.15 -4.37 6.41 8.00 0.11 -4.97 116.55 116.89 2k49 n ASP 64 Ca 0.21 0.23 -0.45 0.00 0.71 0.00 0.00 54.79 55.50 2k49 n ASP 64 Cb 0.95 -4.22 -0.06 0.00 -0.02 0.00 0.00 41.12 37.77 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 -4.12 3.02 0.33 -1.24 1.02 -1.07 -4.85 119.74 112.82 2k49 s LYS 65 Ca 0.00 -1.39 -0.26 0.00 0.02 0.00 0.00 55.97 54.34 2k49 s LYS 65 Cb 0.00 -4.21 -0.10 0.00 -0.52 0.00 0.00 37.83 33.01 2k49 s LYS 65 CO 0.00 -1.26 0.98 -1.25 -0.92 0.00 0.00 175.35 172.90 2k49 s PRO 66 N 1.98 4.53 0.23 -1.68 0.04 -1.16 -0.79 135.00 138.15 2k49 s PRO 66 Ca 0.07 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 2k49 s PRO 66 Cb -0.25 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.50 2k49 s PRO 66 CO 0.06 0.21 0.41 2.48 0.04 0.00 0.00 177.00 180.20 2k49 n TYR 67 N 0.55 -1.56 -3.66 0.56 4.11 0.27 -1.68 117.16 115.75 2k49 n TYR 67 Ca 0.02 -1.21 -0.12 0.00 -0.00 0.00 0.00 57.90 56.59 2k49 n TYR 67 Cb 0.49 0.48 -0.06 0.00 -0.00 0.00 0.00 39.34 40.25 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 -4.56 -0.24 0.16 -3.48 -0.71 -1.26 -2.08 117.98 105.82 2k49 s PHE 68 Ca 0.12 0.12 0.07 0.00 -1.04 0.00 0.00 56.93 56.20 2k49 s PHE 68 Cb -0.02 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 2k49 s PHE 68 CO 0.09 -0.60 -0.16 0.54 -1.34 0.00 0.00 175.22 173.75 2k49 s ASN 69 N -2.23 2.44 -0.15 1.98 2.20 -0.71 -0.43 114.94 118.04 2k49 s ASN 69 Ca -0.03 -0.90 -0.01 0.00 -0.94 0.00 0.00 52.86 50.98 2k49 s ASN 69 Cb -0.00 -0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.11 2k49 s ASN 69 CO -0.05 -0.11 -0.10 -0.22 -2.94 0.00 0.00 177.10 173.68 2k49 s LEU 70 N -2.82 2.85 -0.10 3.54 2.96 0.47 -2.39 118.68 123.19 2k49 s LEU 70 Ca 0.16 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2k49 s LEU 70 Cb -0.04 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2k49 s LEU 70 CO 0.05 0.14 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.49 2k49 s LYS 71 N 0.49 3.04 1.27 1.98 1.02 -1.23 -1.09 119.74 125.22 2k49 s LYS 71 Ca -0.07 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 54.92 2k49 s LYS 71 Cb -0.15 -2.40 0.31 0.00 -0.52 0.00 0.00 37.83 35.07 2k49 s LYS 71 CO 0.04 0.27 1.06 0.00 -0.92 0.00 0.00 175.35 175.80 2k49 s ALA 72 N 0.16 0.22 0.25 5.17 0.00 -0.72 -4.75 121.76 122.10 2k49 s ALA 72 Ca -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2k49 s ALA 72 Cb -0.16 -2.89 0.50 0.00 0.00 0.00 0.00 23.12 20.57 2k49 s ALA 72 CO 0.06 -3.90 1.73 0.00 0.00 0.00 0.00 175.76 173.65 2k49 h ALA 73 N -2.85 1.15 0.00 0.00 0.00 -1.96 0.41 119.26 116.02 2k49 h ALA 73 Ca -0.44 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k49 h ALA 73 Cb 1.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k49 h ALA 73 CO 0.31 -0.19 0.00 -1.71 0.00 0.00 0.00 179.25 177.66 2k49 n ASN 74 N -4.97 0.00 -1.23 0.00 5.15 -1.26 -4.87 115.26 108.09 2k49 n ASN 74 Ca 0.16 -0.65 -0.08 0.00 -0.60 0.00 0.00 54.58 53.40 2k49 n ASN 74 Cb 0.44 -0.04 0.01 0.00 -0.53 0.00 0.00 39.78 39.67 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 -1.04 -0.69 -3.56 1.20 8.25 0.14 -5.04 115.22 114.49 2k49 n HIS 75 Ca 0.17 0.17 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 2k49 n HIS 75 Cb 0.09 -2.27 -0.06 0.00 1.12 0.00 0.00 29.99 28.88 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 -4.90 3.80 -0.72 -0.41 -2.07 -1.26 -4.79 119.66 109.32 2k49 s GLN 76 Ca 0.10 0.25 -0.26 0.00 -1.82 0.00 0.00 55.36 53.63 2k49 s GLN 76 Cb -0.04 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.77 2k49 s GLN 76 CO 0.12 0.60 1.93 0.42 -1.32 0.00 0.00 175.29 177.05 2k49 s ILE 77 N -1.30 3.36 -0.61 3.63 -1.09 -1.26 -1.75 121.20 122.18 2k49 s ILE 77 Ca 0.30 -0.03 0.23 0.00 -2.23 0.00 0.00 60.65 58.92 2k49 s ILE 77 Cb -0.15 -3.90 -0.12 0.00 -1.58 0.00 0.00 42.46 36.71 2k49 s ILE 77 CO 0.16 -0.86 1.01 2.30 -1.23 0.00 0.00 174.94 176.32 2k49 n ILE 78 N 7.54 0.16 -3.65 2.92 -5.35 -0.25 -4.08 119.36 116.65 2k49 n ILE 78 Ca 0.29 -0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.38 2k49 n ILE 78 Cb 0.50 0.24 -0.07 0.00 -1.74 0.00 0.00 39.64 38.56 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 -3.65 -0.34 -0.17 3.28 0.00 -0.75 -4.23 107.32 101.47 2k49 s GLY 79 Ca 0.04 0.76 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 2k49 s GLY 79 CO 0.81 0.48 0.35 -1.59 0.00 0.00 0.00 173.10 173.14 2k49 s THR 80 N -1.30 -0.53 0.65 0.90 2.01 0.24 -0.40 115.64 117.22 2k49 s THR 80 Ca -0.12 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2k49 s THR 80 Cb -0.03 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 2k49 s THR 80 CO 0.07 0.09 1.05 -0.94 -0.69 0.00 0.00 174.62 174.20 2k49 s SER 81 N 2.49 5.66 0.36 3.53 1.04 0.43 -0.42 113.70 126.80 2k49 s SER 81 Ca -0.01 1.62 -0.28 0.00 0.48 0.00 0.00 55.95 57.77 2k49 s SER 81 Cb -0.12 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 2k49 s SER 81 CO -0.11 -1.25 1.36 0.00 0.98 0.00 0.00 173.24 174.22 2k49 s GLN 82 N -4.81 4.19 -0.57 4.02 -2.07 -1.20 -4.63 119.66 114.59 2k49 s GLN 82 Ca 0.59 2.31 -0.27 0.00 -1.82 0.00 0.00 55.36 56.17 2k49 s GLN 82 Cb -0.14 -2.97 -0.02 0.00 -1.09 0.00 0.00 33.01 28.80 2k49 s GLN 82 CO 0.50 -0.37 1.80 -1.64 -1.32 0.00 0.00 175.29 174.26 2k49 s MET 83 N -1.99 2.81 0.89 9.60 -1.94 -1.26 -4.71 119.30 122.70 2k49 s MET 83 Ca 0.52 0.71 -0.12 0.00 -1.71 0.00 0.00 55.69 55.08 2k49 s MET 83 Cb -0.41 -4.33 0.13 0.00 2.01 0.00 0.00 34.83 32.22 2k49 s MET 83 CO 0.55 -2.51 1.12 0.71 -0.01 0.00 0.00 175.02 174.88 2k49 s TYR 84 N 8.41 2.56 -0.22 -0.03 2.02 -0.68 -4.89 117.35 124.52 2k49 s TYR 84 Ca 0.67 0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 58.15 2k49 s TYR 84 Cb -0.14 -3.32 -0.18 0.00 -0.40 0.00 0.00 41.96 37.92 2k49 s TYR 84 CO 0.23 -2.26 0.06 0.45 -1.57 0.00 0.00 175.55 172.45 2k49 n SER 85 N -3.72 1.94 -4.87 2.29 2.88 -1.26 -2.97 113.62 107.90 2k49 n SER 85 Ca 0.07 0.33 -0.35 0.00 -1.33 0.00 0.00 58.87 57.58 2k49 n SER 85 Cb 0.58 -0.87 -0.05 0.00 -0.75 0.00 0.00 64.21 63.11 2k49 n SER 85 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k49 s SER 86 N -7.03 6.58 0.17 -3.46 0.01 -1.26 -4.62 113.70 104.09 2k49 s SER 86 Ca -0.31 0.69 -0.13 0.00 1.31 0.00 0.00 55.95 57.51 2k49 s SER 86 Cb 0.09 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 64.24 2k49 s SER 86 CO 0.59 0.23 1.76 0.71 0.41 0.00 0.00 173.24 176.94 2k49 h THR 87 N 3.04 1.20 -0.64 1.44 1.35 -1.92 -2.76 112.91 114.62 2k49 h THR 87 Ca -0.50 -0.56 0.12 0.00 -0.55 0.00 0.00 66.41 64.92 2k49 h THR 87 Cb 1.20 0.53 -0.09 0.00 -1.73 0.00 0.00 68.15 68.06 2k49 h THR 87 CO 0.66 0.23 0.18 0.00 -0.25 0.00 0.00 175.52 176.33 2k49 h ALA 88 N 1.11 0.80 -0.60 6.62 0.00 -2.00 -0.46 119.26 124.75 2k49 h ALA 88 Ca 0.20 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2k49 h ALA 88 Cb 0.10 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2k49 h ALA 88 CO -0.03 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.34 2k49 h ALA 89 N 1.50 1.79 -0.23 0.00 0.00 -1.91 -0.50 119.26 119.92 2k49 h ALA 89 Ca 0.34 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2k49 h ALA 89 Cb 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k49 h ALA 89 CO -0.40 0.11 -0.17 -0.09 0.00 0.00 0.00 179.25 178.70 2k49 h ARG 90 N 0.60 0.52 -0.72 0.00 1.12 -1.01 -1.63 114.38 113.26 2k49 h ARG 90 Ca 0.25 -0.25 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2k49 h ARG 90 Cb 0.24 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.17 2k49 h ARG 90 CO -0.07 0.82 0.18 0.22 -3.11 0.00 0.00 179.97 178.00 2k49 h ASP 91 N 0.21 1.08 -0.96 -3.80 3.58 -0.84 -1.54 116.42 114.15 2k49 h ASP 91 Ca 0.04 -0.23 0.09 0.00 0.42 0.00 0.00 57.03 57.34 2k49 h ASP 91 Cb 0.70 -0.29 -0.07 0.00 1.72 0.00 0.00 39.33 41.40 2k49 h ASP 91 CO 0.05 1.04 0.62 0.78 -2.88 0.00 0.00 179.24 178.84 2k49 h ASN 92 N 1.08 0.93 -0.99 2.28 4.21 -1.06 -0.95 115.58 121.09 2k49 h ASN 92 Ca 0.22 0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.78 2k49 h ASN 92 Cb 0.37 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.35 2k49 h ASN 92 CO 0.00 0.56 0.65 1.23 -1.29 0.00 0.00 177.43 178.59 2k49 h GLY 93 N 1.04 1.41 0.97 2.83 0.00 -0.33 -0.34 103.07 108.64 2k49 h GLY 93 Ca 0.43 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2k49 h GLY 93 CO -0.19 0.47 -0.16 -2.22 0.00 0.00 0.00 176.54 174.44 2k49 h ILE 94 N 1.30 0.66 -0.74 2.60 2.04 -0.43 -0.81 117.51 122.13 2k49 h ILE 94 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.22 2k49 h ILE 94 Cb -0.08 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2k49 h ILE 94 CO -0.10 0.00 0.38 0.07 0.00 0.00 0.00 178.15 178.50 2k49 h LYS 95 N -0.44 1.03 -0.51 2.37 2.10 -1.35 -2.47 116.57 117.31 2k49 h LYS 95 Ca -0.04 -0.13 0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2k49 h LYS 95 Cb 0.35 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 2k49 h LYS 95 CO 0.05 0.78 0.31 0.77 -2.00 0.00 0.00 179.45 179.36 2k49 h SER 96 N 1.03 0.50 -0.13 7.07 0.02 -0.69 -1.97 113.55 119.38 2k49 h SER 96 Ca 0.26 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 2k49 h SER 96 Cb 0.07 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.51 2k49 h SER 96 CO -0.04 0.36 -0.71 1.62 -1.14 0.00 0.00 176.83 176.92 2k49 h VAL 97 N 0.62 1.30 0.00 2.27 3.04 -0.98 0.20 116.25 122.69 2k49 h VAL 97 Ca 0.20 -1.94 -0.04 0.00 -1.01 0.00 0.00 66.70 63.91 2k49 h VAL 97 Cb 0.01 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 2k49 h VAL 97 CO -0.09 0.61 -0.20 0.00 -1.01 0.00 0.00 177.57 176.88 2k49 h MET 98 N 0.42 0.00 0.00 4.17 -0.00 -1.36 0.37 114.93 118.52 2k49 h MET 98 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.59 2k49 h MET 98 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.94 2k49 h MET 98 CO 0.15 0.20 -0.60 0.93 -0.00 0.00 0.00 176.91 177.59 2k49 h GLU 99 N 0.00 0.00 0.00 -0.10 5.08 -1.32 -3.38 114.58 114.86 2k49 h GLU 99 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2k49 h GLU 99 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k49 h GLU 99 CO 0.03 0.30 -0.39 -0.91 -1.00 0.00 0.00 179.01 177.04 2k49 h ASN 100 N -1.00 0.00 0.17 1.42 2.35 -0.64 -3.07 115.58 114.81 2k49 h ASN 100 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2k49 h ASN 100 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2k49 h ASN 100 CO -0.05 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.73 2k49 n GLY 101 N -0.03 -0.71 0.01 2.83 0.00 0.13 -2.54 105.19 104.88 2k49 n GLY 101 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2k49 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k49 n LYS 102 N -1.15 0.02 -2.02 1.61 5.02 -1.16 -4.33 118.16 116.14 2k49 n LYS 102 Ca 0.11 0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 56.18 2k49 n LYS 102 Cb 0.10 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k49 s THR 103 N -3.02 2.53 -2.51 -0.18 -1.32 -1.05 -4.94 115.64 105.16 2k49 s THR 103 Ca 0.09 0.52 0.23 0.00 -1.21 0.00 0.00 61.69 61.32 2k49 s THR 103 Cb 0.12 -3.32 0.41 0.00 -1.51 0.00 0.00 72.50 68.21 2k49 s THR 103 CO 0.36 0.11 1.41 0.35 -2.21 0.00 0.00 174.62 174.63 2k49 n THR 104 N 0.51 0.45 -2.85 5.08 -2.24 -1.26 -4.91 114.28 109.07 2k49 n THR 104 Ca 0.01 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 2k49 n THR 104 Cb 0.42 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.55 4.79 0.01 4.28 2.01 -1.26 -5.03 115.64 118.90 2k49 s THR 105 Ca 0.38 1.60 0.06 0.00 0.31 0.00 0.00 61.69 64.04 2k49 s THR 105 Cb 0.22 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2k49 s THR 105 CO 0.31 -0.14 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.30 2k49 s ILE 106 N 2.96 1.44 -0.00 1.82 1.01 -1.26 -1.09 121.20 126.08 2k49 s ILE 106 Ca 0.36 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2k49 s ILE 106 Cb -0.15 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2k49 s ILE 106 CO 0.08 0.27 -0.17 -0.54 0.00 0.00 0.00 174.94 174.59 2k49 s LYS 107 N -0.78 2.27 -0.35 2.79 1.02 0.12 -4.96 119.74 119.84 2k49 s LYS 107 Ca 0.06 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 2k49 s LYS 107 Cb -0.08 -2.26 0.06 0.00 -0.52 0.00 0.00 37.83 35.03 2k49 s LYS 107 CO 0.00 0.58 0.12 0.34 -0.92 0.00 0.00 175.35 175.47 2k49 s ASP 108 N -1.09 5.25 -0.25 2.83 -1.08 -1.26 -0.82 116.67 120.24 2k49 s ASP 108 Ca 0.13 -1.39 0.13 0.00 -0.52 0.00 0.00 52.55 50.90 2k49 s ASP 108 Cb -0.11 -1.84 0.75 0.00 -1.46 0.00 0.00 42.92 40.27 2k49 s ASP 108 CO 0.03 -0.38 1.71 0.18 0.52 0.00 0.00 175.17 177.22 2k49 n LEU 109 N 4.74 5.49 -0.11 -1.34 4.77 0.21 -4.51 117.00 126.25 2k49 n LEU 109 Ca -0.10 -3.04 -0.20 0.00 -0.03 0.00 0.00 56.01 52.64 2k49 n LEU 109 Cb 0.43 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.76 2k49 n LEU 109 CO 0.32 0.69 -1.25 0.35 -1.33 0.00 0.00 177.39 176.17 2k49 n THR 110 N 0.20 1.25 -0.06 -5.08 -2.24 -1.25 -4.39 114.28 102.71 2k49 n THR 110 Ca 0.30 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2k49 n THR 110 Cb 1.19 -1.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.42 0.44 -9.72 3.22 3.38 -1.95 -3.45 115.31 106.81 2k49 h LEU 111 Ca -0.54 -0.45 -0.60 0.00 0.09 0.00 0.00 57.88 56.38 2k49 h LEU 111 Cb 1.63 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 2k49 h LEU 111 CO -0.22 0.80 -0.19 -1.61 0.09 0.00 0.00 178.44 177.31 2k49 s GLU 112 N -4.42 3.91 -0.08 1.13 2.02 -1.26 -4.97 118.70 115.03 2k49 s GLU 112 Ca -0.14 0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.26 2k49 s GLU 112 Cb 0.06 -3.15 0.11 0.00 0.10 0.00 0.00 34.13 31.25 2k49 s GLU 112 CO 0.76 0.65 1.24 -2.39 0.02 0.00 0.00 175.26 175.54 2k49 n HIS 113 N 1.55 0.53 -0.53 1.61 1.44 -1.26 -4.52 115.22 114.05 2k49 n HIS 113 Ca -0.12 -0.80 -0.10 0.00 -2.01 0.00 0.00 57.72 54.69 2k49 n HIS 113 Cb 0.52 -0.40 0.03 0.00 0.12 0.00 0.00 29.99 30.26 2k49 n HIS 113 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k49 n HIS 114 N 0.30 1.01 -1.62 -1.40 -0.00 -1.26 -4.96 115.22 107.30 2k49 n HIS 114 Ca 0.10 -1.49 -0.49 0.00 -0.00 0.00 0.00 57.72 55.85 2k49 n HIS 114 Cb 0.69 -0.73 -0.05 0.00 -0.00 0.00 0.00 29.99 29.90 2k49 n HIS 114 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k49 n HIS 115 N 0.57 1.76 -0.88 1.57 1.44 -1.26 -4.87 115.22 113.54 2k49 n HIS 115 Ca 0.20 0.52 -0.17 0.00 -2.01 0.00 0.00 57.72 56.26 2k49 n HIS 115 Cb 0.62 -2.39 0.04 0.00 0.12 0.00 0.00 29.99 28.38 2k49 n HIS 115 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k49 n HIS 116 N 2.52 1.54 -3.93 -1.40 8.25 -1.26 -4.87 115.22 116.08 2k49 n HIS 116 Ca 0.17 -1.96 -0.09 0.00 -0.26 0.00 0.00 57.72 55.57 2k49 n HIS 116 Cb 0.24 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.34 2k49 n HIS 116 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k49 s HIS 117 N -1.82 0.25 0.00 4.41 3.76 -1.26 -5.35 115.29 115.28 2k49 s HIS 117 Ca 0.31 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2k49 s HIS 117 Cb 0.24 0.18 0.00 0.00 1.11 0.00 0.00 32.58 34.11 2k49 s HIS 117 CO -0.00 -0.91 0.40 0.72 -0.85 0.00 0.00 174.74 174.10