#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 6.46 1.28 6.12 0.01 -1.26 -3.85 113.70 122.45 2k49 s SER 2 Ca 0.00 1.22 -0.21 0.00 1.31 0.00 0.00 55.95 58.27 2k49 s SER 2 Cb 0.00 -2.37 0.32 0.00 0.21 0.00 0.00 66.02 64.18 2k49 s SER 2 CO 0.00 -0.53 1.08 -0.83 0.41 0.00 0.00 173.24 173.37 2k49 s GLY 3 N -3.45 1.56 0.22 3.44 0.00 -1.26 -4.13 107.32 103.70 2k49 s GLY 3 Ca 0.53 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 2k49 s GLY 3 CO 0.37 -0.07 0.70 0.66 0.00 0.00 0.00 173.10 174.75 2k49 s TRP 4 N -2.88 -0.32 -0.14 1.90 -2.14 -0.64 -4.75 118.94 109.97 2k49 s TRP 4 Ca 0.71 -0.04 -0.04 0.00 2.66 0.00 0.00 56.10 59.40 2k49 s TRP 4 Cb -0.09 0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 30.90 2k49 s TRP 4 CO 0.56 -1.06 0.01 0.71 -2.66 0.00 0.00 176.95 174.51 2k49 s TYR 5 N -3.80 3.14 -0.22 1.66 2.02 -0.02 -0.90 117.35 119.23 2k49 s TYR 5 Ca 0.07 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2k49 s TYR 5 Cb -0.04 -1.93 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 2k49 s TYR 5 CO -0.01 0.21 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.88 2k49 s GLU 6 N -0.11 1.94 -0.36 -0.62 2.02 -0.79 -0.28 118.70 120.51 2k49 s GLU 6 Ca 0.04 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.86 2k49 s GLU 6 Cb -0.13 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 2k49 s GLU 6 CO 0.02 -0.52 0.46 -1.17 0.02 0.00 0.00 175.26 174.07 2k49 s LEU 7 N 1.33 4.43 0.25 1.80 2.96 -0.08 -2.02 118.68 127.35 2k49 s LEU 7 Ca -0.04 -0.16 0.10 0.00 -0.22 0.00 0.00 54.13 53.80 2k49 s LEU 7 Cb -0.18 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2k49 s LEU 7 CO -0.07 -0.45 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.51 2k49 s SER 8 N 1.76 4.26 0.28 3.68 1.04 0.11 0.63 113.70 125.46 2k49 s SER 8 Ca 0.16 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 2k49 s SER 8 Cb -0.16 -0.69 -0.07 0.00 0.10 0.00 0.00 66.02 65.20 2k49 s SER 8 CO 0.13 0.03 0.62 -0.75 0.98 0.00 0.00 173.24 174.25 2k49 s LYS 9 N -3.49 3.83 0.34 4.02 2.20 -1.26 -1.40 119.74 123.98 2k49 s LYS 9 Ca 0.30 0.37 0.07 0.00 -0.36 0.00 0.00 55.97 56.34 2k49 s LYS 9 Cb -0.06 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.68 2k49 s LYS 9 CO 0.18 0.23 0.48 0.45 -0.36 0.00 0.00 175.35 176.32 2k49 s SER 10 N -2.50 5.94 0.59 1.43 0.15 0.97 -4.92 113.70 115.36 2k49 s SER 10 Ca 0.49 -0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.23 2k49 s SER 10 Cb -0.11 -1.18 1.75 0.00 -1.71 0.00 0.00 66.02 64.77 2k49 s SER 10 CO 0.22 -0.46 2.18 0.28 1.20 0.00 0.00 173.24 176.66 2k49 h SER 11 N 0.88 0.00 -0.09 5.45 0.02 -2.00 0.17 113.55 117.98 2k49 h SER 11 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2k49 h SER 11 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2k49 h SER 11 CO 0.52 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.80 2k49 n ASN 12 N -3.80 0.75 0.00 3.07 4.13 -1.26 -4.88 115.26 113.27 2k49 n ASN 12 Ca -0.01 -1.67 0.00 0.00 1.68 0.00 0.00 54.58 54.58 2k49 n ASN 12 Cb 0.20 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2k49 n ASP 13 N -0.24 -1.80 -4.85 6.41 8.00 0.61 -5.00 116.55 119.68 2k49 n ASP 13 Ca 0.12 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 2k49 n ASP 13 Cb 0.17 -1.89 -0.02 0.00 -0.02 0.00 0.00 41.12 39.36 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 -0.87 3.84 0.04 -1.24 -0.21 -1.26 -4.69 119.66 115.27 2k49 s GLN 14 Ca 0.00 0.83 0.02 0.00 0.02 0.00 0.00 55.36 56.22 2k49 s GLN 14 Cb 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2k49 s GLN 14 CO 0.00 -0.31 0.08 -0.06 -2.12 0.00 0.00 175.29 172.88 2k49 s PHE 15 N -2.72 3.23 -0.02 0.91 0.08 -0.80 -0.02 117.98 118.63 2k49 s PHE 15 Ca 0.57 0.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.69 2k49 s PHE 15 Cb -0.10 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k49 s PHE 15 CO 0.37 0.53 0.13 -1.59 -0.10 0.00 0.00 175.22 174.56 2k49 s LYS 16 N -2.11 0.31 0.04 0.44 -2.85 -0.50 -0.53 119.74 114.56 2k49 s LYS 16 Ca 0.27 -0.12 0.05 0.00 -1.00 0.00 0.00 55.97 55.16 2k49 s LYS 16 Cb -0.12 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 2k49 s LYS 16 CO 0.19 -0.06 -0.14 -0.59 0.10 0.00 0.00 175.35 174.85 2k49 s PHE 17 N -0.67 1.19 -0.06 1.78 -0.12 -1.26 0.09 117.98 118.93 2k49 s PHE 17 Ca -0.08 -0.37 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 2k49 s PHE 17 Cb -0.05 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 2k49 s PHE 17 CO 0.01 0.03 -0.22 0.14 -0.05 0.00 0.00 175.22 175.13 2k49 s VAL 18 N -0.94 1.87 -0.37 -2.49 -7.23 -0.86 -1.83 120.40 108.56 2k49 s VAL 18 Ca 0.00 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 2k49 s VAL 18 Cb -0.08 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2k49 s VAL 18 CO 0.01 0.52 0.56 -0.22 -0.31 0.00 0.00 175.10 175.66 2k49 s LEU 19 N -0.01 4.38 0.07 1.32 2.96 0.40 -1.88 118.68 125.93 2k49 s LEU 19 Ca -0.06 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2k49 s LEU 19 Cb -0.14 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2k49 s LEU 19 CO 0.04 -0.55 0.17 -0.54 -1.32 0.00 0.00 176.35 174.14 2k49 s LYS 20 N 2.51 3.23 -0.17 1.98 1.02 -0.08 -1.25 119.74 126.98 2k49 s LYS 20 Ca 0.20 -0.55 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 2k49 s LYS 20 Cb -0.15 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2k49 s LYS 20 CO 0.14 0.59 -0.07 0.00 -0.92 0.00 0.00 175.35 175.09 2k49 s ALA 21 N -1.49 2.81 0.00 5.17 0.00 0.98 -1.62 121.76 127.61 2k49 s ALA 21 Ca 0.33 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2k49 s ALA 21 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2k49 s ALA 21 CO 0.26 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2k49 n GLY 22 N 3.99 0.19 0.01 0.00 0.00 -1.25 -1.17 105.19 106.95 2k49 n GLY 22 Ca -0.18 0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.74 0.25 0.00 1.61 6.94 -1.26 -4.45 115.26 119.08 2k49 n ASN 23 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 2k49 n ASN 23 Cb 0.00 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 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 1.48 1.46 3.70 4.83 0.00 -0.32 -5.10 105.19 111.24 2k49 n GLY 24 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.15 4.50 -0.32 1.61 2.56 -1.15 -4.68 118.70 121.06 2k49 s GLU 25 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 54.97 56.13 2k49 s GLU 25 Cb 0.00 -3.48 0.02 0.00 2.00 0.00 0.00 34.13 32.67 2k49 s GLU 25 CO 0.00 -0.16 1.06 0.08 -0.56 0.00 0.00 175.26 175.69 2k49 s VAL 26 N 1.35 4.51 -0.19 3.70 1.01 -1.26 -0.01 120.40 129.50 2k49 s VAL 26 Ca 0.52 1.69 0.11 0.00 0.00 0.00 0.00 61.98 64.30 2k49 s VAL 26 Cb -0.21 -4.41 -0.23 0.00 0.00 0.00 0.00 36.38 31.53 2k49 s VAL 26 CO 0.25 -0.49 0.07 2.30 0.00 0.00 0.00 175.10 177.24 2k49 n ILE 27 N 5.89 1.47 -4.52 2.22 -5.35 -0.38 -4.79 119.36 113.90 2k49 n ILE 27 Ca 0.12 -0.76 -0.28 0.00 -0.27 0.00 0.00 62.75 61.56 2k49 n ILE 27 Cb 0.47 -0.89 -0.17 0.00 -1.74 0.00 0.00 39.64 37.32 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -5.96 1.74 -0.10 7.28 2.01 -1.17 -2.05 118.68 120.43 2k49 s LEU 28 Ca -0.17 -0.43 0.04 0.00 0.01 0.00 0.00 54.13 53.58 2k49 s LEU 28 Cb 0.07 -1.09 0.00 0.00 0.01 0.00 0.00 46.19 45.18 2k49 s LEU 28 CO 0.76 0.03 -0.21 -0.89 1.01 0.00 0.00 176.35 177.04 2k49 s THR 29 N 0.92 1.87 0.29 5.49 2.01 0.08 -0.45 115.64 125.85 2k49 s THR 29 Ca -0.08 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 2k49 s THR 29 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2k49 s THR 29 CO -0.00 0.52 0.53 -0.94 -0.69 0.00 0.00 174.62 174.03 2k49 s SER 30 N 0.44 6.39 0.79 3.53 1.04 -0.76 -0.46 113.70 124.68 2k49 s SER 30 Ca -0.17 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2k49 s SER 30 Cb -0.17 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2k49 s SER 30 CO 0.07 -0.20 0.00 -0.62 0.98 0.00 0.00 173.24 173.47 2k49 n GLU 31 N -1.13 -0.02 -2.83 4.02 4.71 -1.26 -4.53 120.64 119.60 2k49 n GLU 31 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.71 2k49 n GLU 31 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.94 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k49 s LEU 32 N 0.00 4.31 -0.10 -4.62 1.43 -1.26 -4.47 118.68 113.97 2k49 s LEU 32 Ca 0.00 1.43 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 2k49 s LEU 32 Cb 0.00 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2k49 s LEU 32 CO 0.00 -0.27 0.11 -0.31 0.23 0.00 0.00 176.35 176.11 2k49 s TYR 33 N 1.26 3.47 0.08 0.29 1.51 0.31 -4.89 117.35 119.39 2k49 s TYR 33 Ca 0.45 0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 56.77 2k49 s TYR 33 Cb -0.19 -1.88 -0.12 0.00 -0.11 0.00 0.00 41.96 39.66 2k49 s TYR 33 CO 0.21 0.66 1.36 1.79 -1.11 0.00 0.00 175.55 178.45 2k49 h THR 34 N 3.89 1.32 -3.68 -0.71 1.35 -1.97 -2.12 112.91 110.99 2k49 h THR 34 Ca -0.53 -1.58 -0.68 0.00 -0.55 0.00 0.00 66.41 63.06 2k49 h THR 34 Cb 1.21 1.79 -0.20 0.00 -1.73 0.00 0.00 68.15 69.23 2k49 h THR 34 CO 0.58 0.49 -0.70 -0.83 -0.25 0.00 0.00 175.52 174.81 2k49 s GLY 35 N -3.76 1.67 0.17 5.82 0.00 -1.26 -4.85 107.32 105.11 2k49 s GLY 35 Ca -0.12 -0.90 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 2k49 s GLY 35 CO 0.83 -0.63 1.81 1.70 0.00 0.00 0.00 173.10 176.81 2k49 h LYS 36 N 5.38 0.67 -0.60 2.90 3.64 -1.96 -1.08 116.57 125.52 2k49 h LYS 36 Ca -0.47 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2k49 h LYS 36 Cb 1.17 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2k49 h LYS 36 CO 0.53 0.47 0.40 1.03 -2.27 0.00 0.00 179.45 179.60 2k49 h SER 37 N 0.67 0.67 -0.68 4.20 0.87 -1.99 -1.04 113.55 116.25 2k49 h SER 37 Ca 0.18 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2k49 h SER 37 Cb -0.04 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2k49 h SER 37 CO -0.04 0.48 0.27 1.23 -0.53 0.00 0.00 176.83 178.24 2k49 h GLY 38 N 0.79 1.10 0.98 5.77 0.00 -1.74 0.10 103.07 110.08 2k49 h GLY 38 Ca 0.22 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2k49 h GLY 38 CO -0.05 0.57 0.13 0.00 0.00 0.00 0.00 176.54 177.20 2k49 h ALA 39 N 1.12 0.27 -0.39 3.60 0.00 -0.39 0.44 119.26 123.91 2k49 h ALA 39 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2k49 h ALA 39 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2k49 h ALA 39 CO -0.02 -0.23 0.15 0.52 0.00 0.00 0.00 179.25 179.67 2k49 h MET 40 N 0.27 0.31 -1.00 0.00 2.86 -1.08 -1.14 114.93 115.15 2k49 h MET 40 Ca 0.08 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.85 2k49 h MET 40 Cb 0.00 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.50 2k49 h MET 40 CO -0.02 0.20 0.62 -0.97 1.06 0.00 0.00 176.91 177.81 2k49 h ASN 41 N 0.32 0.86 -0.80 1.22 -1.24 -0.42 0.11 115.58 115.63 2k49 h ASN 41 Ca 0.18 0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.31 2k49 h ASN 41 Cb 0.14 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 2k49 h ASN 41 CO -0.17 0.39 0.49 1.23 -1.29 0.00 0.00 177.43 178.08 2k49 h GLY 42 N 0.88 1.18 0.91 1.57 0.00 0.30 -0.42 103.07 107.49 2k49 h GLY 42 Ca 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2k49 h GLY 42 CO -0.32 0.26 0.08 -2.22 0.00 0.00 0.00 176.54 174.35 2k49 h ILE 43 N 0.92 1.14 -0.79 2.60 2.04 -0.11 -0.32 117.51 122.99 2k49 h ILE 43 Ca 0.34 -0.41 0.14 0.00 1.00 0.00 0.00 64.86 65.94 2k49 h ILE 43 Cb 0.12 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 2k49 h ILE 43 CO -0.16 0.13 0.36 -0.33 0.00 0.00 0.00 178.15 178.16 2k49 h GLU 44 N 0.16 0.50 -0.44 2.37 4.39 -0.88 -1.06 114.58 119.62 2k49 h GLU 44 Ca 0.06 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2k49 h GLU 44 Cb 0.14 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2k49 h GLU 44 CO -0.01 0.33 0.18 0.77 -1.16 0.00 0.00 179.01 179.12 2k49 h SER 45 N 0.52 0.61 -0.70 1.42 0.02 -0.60 -2.45 113.55 112.37 2k49 h SER 45 Ca 0.43 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 2k49 h SER 45 Cb 0.64 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 2k49 h SER 45 CO -0.38 0.61 0.44 0.58 -1.14 0.00 0.00 176.83 176.94 2k49 h VAL 46 N 0.57 1.11 -0.82 2.27 2.07 -0.07 0.38 116.25 121.77 2k49 h VAL 46 Ca 0.15 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k49 h VAL 46 Cb 0.19 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2k49 h VAL 46 CO -0.01 0.16 0.54 1.56 0.02 0.00 0.00 177.57 179.84 2k49 h GLN 47 N 0.88 1.06 -0.39 1.57 4.20 -1.08 0.37 115.11 121.71 2k49 h GLN 47 Ca 0.28 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 2k49 h GLN 47 Cb -0.00 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2k49 h GLN 47 CO -0.10 0.70 -0.29 1.15 -0.67 0.00 0.00 178.83 179.62 2k49 h THR 48 N 1.09 1.27 0.00 -0.54 2.02 -0.94 -3.29 112.91 112.53 2k49 h THR 48 Ca 0.30 -1.45 -0.17 0.00 0.77 0.00 0.00 66.41 65.87 2k49 h THR 48 Cb -0.11 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2k49 h THR 48 CO -0.07 0.48 -0.88 0.78 0.37 0.00 0.00 175.52 176.20 2k49 h ASN 49 N 0.72 0.00 -0.64 4.18 2.35 -0.55 -3.38 115.58 118.26 2k49 h ASN 49 Ca 0.08 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.96 2k49 h ASN 49 Cb 0.85 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.10 2k49 h ASN 49 CO 0.07 0.76 -0.15 -1.28 -1.65 0.00 0.00 177.43 175.19 2k49 h SER 50 N 0.00 -0.57 -0.06 5.81 0.87 -0.34 0.23 113.55 119.49 2k49 h SER 50 Ca -0.04 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2k49 h SER 50 Cb 1.61 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2k49 h SER 50 CO 0.09 -0.20 0.00 -0.81 -0.53 0.00 0.00 176.83 175.38 2k49 n PRO 51 N -5.42 1.15 -3.64 2.24 -0.04 -1.26 -4.28 135.00 123.75 2k49 n PRO 51 Ca 0.08 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 2k49 n PRO 51 Cb 0.33 -1.09 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.92 0.94 0.57 0.52 1.01 0.80 -4.99 121.20 118.14 2k49 s ILE 52 Ca 0.08 -2.13 0.27 0.00 0.00 0.00 0.00 60.65 58.87 2k49 s ILE 52 Cb 0.04 -1.67 0.33 0.00 0.01 0.00 0.00 42.46 41.17 2k49 s ILE 52 CO 0.06 -0.89 2.23 -0.08 0.00 0.00 0.00 174.94 176.25 2k49 h GLU 53 N 7.01 0.00 -0.05 2.79 4.81 -1.80 -3.08 114.58 124.27 2k49 h GLU 53 Ca -0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2k49 h GLU 53 Cb 0.95 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2k49 h GLU 53 CO 0.42 0.01 0.56 0.00 -0.73 0.00 0.00 179.01 179.26 2k49 h ALA 54 N 1.99 1.61 -0.16 2.92 0.00 -1.94 0.48 119.26 124.17 2k49 h ALA 54 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 54 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k49 h ALA 54 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.21 2k49 n ARG 55 N -2.83 1.47 -1.62 0.00 5.12 -1.17 -4.94 116.66 112.71 2k49 n ARG 55 Ca -0.00 -0.62 -0.30 0.00 -1.93 0.00 0.00 57.85 55.00 2k49 n ARG 55 Cb 0.60 -1.23 0.09 0.00 -1.16 0.00 0.00 32.46 30.77 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 -1.71 2.85 -0.29 -1.55 1.13 0.17 -2.07 117.35 115.87 2k49 s TYR 56 Ca 0.11 1.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.84 2k49 s TYR 56 Cb 0.06 -3.19 0.15 0.00 -1.10 0.00 0.00 41.96 37.89 2k49 s TYR 56 CO 0.07 -1.80 0.37 0.00 -2.51 0.00 0.00 175.55 171.68 2k49 s ALA 57 N -3.23 -0.95 0.16 9.51 0.00 -0.50 -4.85 121.76 121.90 2k49 s ALA 57 Ca 0.61 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2k49 s ALA 57 Cb -0.14 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 2k49 s ALA 57 CO 0.53 -1.75 0.63 0.15 0.00 0.00 0.00 175.76 175.33 2k49 s LYS 58 N 2.47 4.17 -0.22 0.00 1.02 -1.26 -0.74 119.74 125.18 2k49 s LYS 58 Ca 0.10 0.73 -0.19 0.00 0.02 0.00 0.00 55.97 56.63 2k49 s LYS 58 Cb -0.13 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2k49 s LYS 58 CO -0.31 0.50 0.58 -2.00 -0.92 0.00 0.00 175.35 173.19 2k49 s GLU 59 N -1.70 0.66 -0.21 1.68 2.12 0.09 -4.98 118.70 116.37 2k49 s GLU 59 Ca 0.37 0.83 -0.00 0.00 0.36 0.00 0.00 54.97 56.53 2k49 s GLU 59 Cb -0.17 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2k49 s GLU 59 CO 0.20 -0.09 -0.13 0.08 -0.54 0.00 0.00 175.26 174.78 2k49 s VAL 60 N 0.46 2.52 0.69 3.70 1.01 -1.26 -1.22 120.40 126.30 2k49 s VAL 60 Ca -0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2k49 s VAL 60 Cb -0.04 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2k49 s VAL 60 CO -0.01 0.41 1.08 0.00 0.00 0.00 0.00 175.10 176.57 2k49 s ALA 61 N 1.33 2.53 0.36 5.51 0.00 -0.28 -4.81 121.76 126.40 2k49 s ALA 61 Ca 0.03 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.35 2k49 s ALA 61 Cb -0.14 -3.24 0.83 0.00 0.00 0.00 0.00 23.12 20.56 2k49 s ALA 61 CO -0.09 -1.32 1.87 -0.22 0.00 0.00 0.00 175.76 176.01 2k49 h LYS 62 N -0.51 0.66 -1.14 0.00 3.11 -2.00 -1.08 116.57 115.62 2k49 h LYS 62 Ca -0.45 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2k49 h LYS 62 Cb 1.22 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2k49 h LYS 62 CO 0.55 0.44 0.00 0.09 -2.81 0.00 0.00 179.45 177.72 2k49 n ASN 63 N -4.56 1.48 -3.58 4.20 3.02 -1.26 -4.73 115.26 109.83 2k49 n ASN 63 Ca 0.17 -1.25 -0.24 0.00 -0.03 0.00 0.00 54.58 53.23 2k49 n ASN 63 Cb 0.48 -0.31 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.53 -4.15 -4.04 6.41 8.00 -0.46 -4.97 116.55 117.87 2k49 n ASP 64 Ca 0.00 -0.87 -0.34 0.00 0.71 0.00 0.00 54.79 54.29 2k49 n ASP 64 Cb 0.26 -4.07 -0.11 0.00 -0.02 0.00 0.00 41.12 37.18 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 -5.59 2.46 0.01 -1.24 -0.14 -0.92 -4.70 119.74 109.63 2k49 s LYS 65 Ca 0.30 -2.72 -0.30 0.00 -1.36 0.00 0.00 55.97 51.89 2k49 s LYS 65 Cb -0.08 -3.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.41 2k49 s LYS 65 CO 0.81 -1.17 1.25 -1.25 -0.76 0.00 0.00 175.35 174.23 2k49 s PRO 66 N -0.40 4.37 0.36 -1.68 0.04 -1.24 -1.12 135.00 135.31 2k49 s PRO 66 Ca 0.19 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 2k49 s PRO 66 Cb -0.19 -3.46 0.03 0.00 0.04 0.00 0.00 34.50 30.92 2k49 s PRO 66 CO -0.04 -0.40 0.68 1.52 0.04 0.00 0.00 177.00 178.79 2k49 s TYR 67 N 1.76 0.38 0.05 0.56 1.13 -0.36 -2.60 117.35 118.27 2k49 s TYR 67 Ca 0.59 -0.90 -0.12 0.00 -1.41 0.00 0.00 57.07 55.23 2k49 s TYR 67 Cb -0.29 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 2k49 s TYR 67 CO 0.26 -1.39 0.27 -0.59 -2.51 0.00 0.00 175.55 171.59 2k49 s PHE 68 N -2.74 -0.05 0.17 -3.49 -0.71 -1.26 -0.73 117.98 109.18 2k49 s PHE 68 Ca 0.20 -0.15 0.05 0.00 -1.04 0.00 0.00 56.93 55.99 2k49 s PHE 68 Cb -0.04 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2k49 s PHE 68 CO 0.13 -0.51 0.12 -0.80 -1.34 0.00 0.00 175.22 172.83 2k49 s ASN 69 N -2.22 5.41 -0.19 1.98 -0.87 0.08 -1.38 114.94 117.75 2k49 s ASN 69 Ca -0.03 -0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.05 2k49 s ASN 69 Cb 0.00 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.25 39.84 2k49 s ASN 69 CO -0.05 0.07 -0.07 -0.22 -2.57 0.00 0.00 177.10 174.26 2k49 s LEU 70 N -3.13 2.87 0.10 0.60 2.96 0.60 -1.40 118.68 121.28 2k49 s LEU 70 Ca 0.31 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 2k49 s LEU 70 Cb -0.10 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2k49 s LEU 70 CO 0.23 0.05 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.75 2k49 s LYS 71 N 1.08 2.47 0.80 1.98 1.02 -0.88 -1.46 119.74 124.74 2k49 s LYS 71 Ca 0.01 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 2k49 s LYS 71 Cb -0.15 -2.49 0.14 0.00 -0.52 0.00 0.00 37.83 34.82 2k49 s LYS 71 CO -0.01 0.53 1.10 0.00 -0.92 0.00 0.00 175.35 176.06 2k49 s ALA 72 N -1.32 3.16 0.29 5.17 0.00 -0.67 -4.80 121.76 123.60 2k49 s ALA 72 Ca 0.25 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2k49 s ALA 72 Cb -0.11 -2.32 0.67 0.00 0.00 0.00 0.00 23.12 21.35 2k49 s ALA 72 CO 0.18 -1.76 1.76 0.00 0.00 0.00 0.00 175.76 175.94 2k49 h ALA 73 N -0.90 1.52 0.00 0.00 0.00 -1.97 0.33 119.26 118.24 2k49 h ALA 73 Ca -0.40 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k49 h ALA 73 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k49 h ALA 73 CO 0.42 -0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.87 2k49 n ASN 74 N -4.83 0.26 -0.77 0.00 5.15 -1.26 -4.83 115.26 108.98 2k49 n ASN 74 Ca 0.21 -1.76 -0.10 0.00 -0.60 0.00 0.00 54.58 52.33 2k49 n ASN 74 Cb 0.54 -0.13 -0.04 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.33 0.00 -2.80 1.20 8.25 0.12 -4.98 115.22 116.67 2k49 n HIS 75 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2k49 n HIS 75 Cb 0.07 -2.09 -0.06 0.00 1.12 0.00 0.00 29.99 29.02 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 -2.69 4.67 -0.58 -0.41 -2.07 -1.25 -4.77 119.66 112.55 2k49 s GLN 76 Ca 0.00 1.35 -0.28 0.00 -1.82 0.00 0.00 55.36 54.62 2k49 s GLN 76 Cb 0.00 -3.00 0.02 0.00 -1.09 0.00 0.00 33.01 28.93 2k49 s GLN 76 CO 0.00 0.39 1.38 0.42 -1.32 0.00 0.00 175.29 176.16 2k49 s ILE 77 N -1.43 3.80 -0.08 3.63 -1.09 -1.26 -1.67 121.20 123.10 2k49 s ILE 77 Ca 0.46 0.67 0.21 0.00 -2.23 0.00 0.00 60.65 59.75 2k49 s ILE 77 Cb -0.21 -4.51 -0.31 0.00 -1.58 0.00 0.00 42.46 35.85 2k49 s ILE 77 CO 0.27 -1.25 0.35 2.30 -1.23 0.00 0.00 174.94 175.38 2k49 n ILE 78 N 6.80 0.42 -3.69 2.92 -5.35 -0.54 -4.79 119.36 115.13 2k49 n ILE 78 Ca 0.11 -0.60 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 2k49 n ILE 78 Cb 0.49 -0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.18 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 -4.80 -0.26 -0.12 3.28 0.00 -0.92 -4.53 107.32 99.97 2k49 s GLY 79 Ca -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 2k49 s GLY 79 CO 0.88 0.25 -0.04 -1.59 0.00 0.00 0.00 173.10 172.60 2k49 s THR 80 N -1.63 0.83 0.70 0.90 2.01 0.39 -0.29 115.64 118.56 2k49 s THR 80 Ca -0.11 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 2k49 s THR 80 Cb -0.03 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2k49 s THR 80 CO 0.03 0.23 1.07 -0.94 -0.69 0.00 0.00 174.62 174.32 2k49 s SER 81 N 1.77 5.22 0.56 3.53 1.04 -0.48 -0.74 113.70 124.60 2k49 s SER 81 Ca 0.03 1.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.96 2k49 s SER 81 Cb -0.14 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.43 2k49 s SER 81 CO -0.07 -1.55 1.09 -1.10 0.98 0.00 0.00 173.24 172.58 2k49 s GLN 82 N -4.94 3.35 -0.15 4.02 -1.52 -0.87 -4.66 119.66 114.90 2k49 s GLN 82 Ca 0.59 1.41 -0.22 0.00 -1.95 0.00 0.00 55.36 55.20 2k49 s GLN 82 Cb -0.15 -2.02 -0.03 0.00 -0.22 0.00 0.00 33.01 30.59 2k49 s GLN 82 CO 0.54 -0.81 0.65 0.00 -0.25 0.00 0.00 175.29 175.41 2k49 s MET 83 N -3.61 4.30 0.51 2.91 0.23 -1.26 -4.72 119.30 117.66 2k49 s MET 83 Ca 0.68 0.70 0.09 0.00 -1.03 0.00 0.00 55.69 56.13 2k49 s MET 83 Cb -0.20 -3.52 0.05 0.00 -1.53 0.00 0.00 34.83 29.64 2k49 s MET 83 CO 0.30 -0.10 0.67 0.71 -2.03 0.00 0.00 175.02 174.57 2k49 s TYR 84 N 1.43 1.99 -0.21 3.16 1.51 -1.07 -4.97 117.35 119.19 2k49 s TYR 84 Ca 0.32 -0.60 0.11 0.00 -1.01 0.00 0.00 57.07 55.88 2k49 s TYR 84 Cb -0.16 -2.25 -0.21 0.00 -0.11 0.00 0.00 41.96 39.23 2k49 s TYR 84 CO 0.13 -0.80 -0.04 0.43 -1.11 0.00 0.00 175.55 174.15 2k49 n SER 85 N -2.04 0.98 -4.65 2.29 7.64 -1.26 -3.72 113.62 112.86 2k49 n SER 85 Ca 0.11 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 2k49 n SER 85 Cb 0.61 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 64.16 2k49 n SER 85 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k49 s SER 86 N -5.74 5.07 0.24 6.43 0.01 -1.26 -4.91 113.70 113.54 2k49 s SER 86 Ca -0.19 0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 2k49 s SER 86 Cb 0.07 -1.41 0.28 0.00 0.21 0.00 0.00 66.02 65.17 2k49 s SER 86 CO 0.70 0.37 1.69 0.71 0.41 0.00 0.00 173.24 177.12 2k49 h THR 87 N 4.22 1.26 -0.12 1.44 1.35 -1.96 -1.67 112.91 117.42 2k49 h THR 87 Ca -0.50 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 2k49 h THR 87 Cb 1.19 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2k49 h THR 87 CO 0.54 0.41 0.03 0.00 -0.25 0.00 0.00 175.52 176.25 2k49 h ALA 88 N 1.18 0.16 -0.97 6.62 0.00 -1.98 0.66 119.26 124.92 2k49 h ALA 88 Ca 0.11 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2k49 h ALA 88 Cb 0.62 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2k49 h ALA 88 CO 0.04 -0.21 0.62 0.00 0.00 0.00 0.00 179.25 179.71 2k49 h ALA 89 N 0.82 1.52 -0.10 0.00 0.00 -1.96 0.12 119.26 119.66 2k49 h ALA 89 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k49 h ALA 89 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k49 h ALA 89 CO 0.00 0.28 0.03 -0.09 0.00 0.00 0.00 179.25 179.48 2k49 h ARG 90 N 1.02 0.15 0.41 0.00 1.12 -1.06 0.25 114.38 116.27 2k49 h ARG 90 Ca 0.45 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.28 2k49 h ARG 90 Cb 0.37 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 2k49 h ARG 90 CO -0.21 0.30 -0.37 0.22 -3.11 0.00 0.00 179.97 176.80 2k49 h ASP 91 N -0.02 -0.99 0.04 -3.80 3.58 -0.13 0.26 116.42 115.36 2k49 h ASP 91 Ca 0.03 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2k49 h ASP 91 Cb 0.21 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k49 h ASP 91 CO -0.00 -0.52 -0.04 0.78 -2.88 0.00 0.00 179.24 176.57 2k49 h ASN 92 N -0.79 0.00 -0.92 2.28 2.35 -0.83 -0.85 115.58 116.82 2k49 h ASN 92 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2k49 h ASN 92 Cb 0.70 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 2k49 h ASN 92 CO -0.04 0.04 0.59 1.23 -1.65 0.00 0.00 177.43 177.60 2k49 h GLY 93 N 0.13 1.32 0.98 2.83 0.00 0.45 -0.03 103.07 108.75 2k49 h GLY 93 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2k49 h GLY 93 CO 0.01 0.51 0.25 -2.22 0.00 0.00 0.00 176.54 175.08 2k49 h ILE 94 N 1.26 1.20 -0.71 2.60 2.04 0.45 -1.51 117.51 122.84 2k49 h ILE 94 Ca 0.34 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2k49 h ILE 94 Cb -0.10 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2k49 h ILE 94 CO -0.07 0.22 0.47 0.11 0.00 0.00 0.00 178.15 178.89 2k49 h LYS 95 N 0.70 0.82 -0.12 2.37 1.57 -1.08 -0.85 116.57 119.98 2k49 h LYS 95 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2k49 h LYS 95 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2k49 h LYS 95 CO -0.02 0.54 -0.21 0.77 -0.57 0.00 0.00 179.45 179.96 2k49 h SER 96 N 0.84 0.19 -0.33 0.86 0.02 -0.31 -0.91 113.55 113.90 2k49 h SER 96 Ca 0.29 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2k49 h SER 96 Cb 0.10 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2k49 h SER 96 CO -0.08 0.42 -0.16 0.58 -1.14 0.00 0.00 176.83 176.45 2k49 h VAL 97 N 0.18 1.29 0.00 2.27 2.07 -0.21 -0.03 116.25 121.83 2k49 h VAL 97 Ca 0.03 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2k49 h VAL 97 Cb 0.49 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2k49 h VAL 97 CO 0.03 0.41 -0.08 0.24 0.02 0.00 0.00 177.57 178.20 2k49 h MET 98 N 0.47 0.00 0.00 1.57 2.07 -0.85 0.23 114.93 118.42 2k49 h MET 98 Ca 0.07 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 2k49 h MET 98 Cb 0.69 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.42 2k49 h MET 98 CO 0.05 0.08 -0.04 1.49 1.07 0.00 0.00 176.91 179.55 2k49 h GLU 99 N 0.00 0.00 0.00 1.72 4.57 -0.93 -3.40 114.58 116.54 2k49 h GLU 99 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k49 h GLU 99 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2k49 h GLU 99 CO 0.01 0.24 -0.41 0.09 -1.18 0.00 0.00 179.01 177.77 2k49 n ASN 100 N -4.73 0.76 0.00 1.04 3.02 -0.04 -3.58 115.26 111.72 2k49 n ASN 100 Ca -0.03 0.29 0.09 0.00 -0.03 0.00 0.00 54.58 54.89 2k49 n ASN 100 Cb 0.13 -0.18 0.43 0.00 -0.61 0.00 0.00 39.78 39.55 2k49 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k49 n GLY 101 N 1.32 -0.99 0.36 7.41 0.00 0.82 -2.72 105.19 111.40 2k49 n GLY 101 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.37 1.49 -2.88 1.61 5.02 -1.24 -4.11 118.16 116.68 2k49 n LYS 102 Ca 0.07 -0.73 -0.35 0.00 -2.02 0.00 0.00 58.31 55.29 2k49 n LYS 102 Cb 0.17 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.91 4.39 -1.54 -0.18 -1.32 -1.10 -4.98 115.64 109.01 2k49 s THR 103 Ca 0.34 1.50 0.13 0.00 -1.21 0.00 0.00 61.69 62.45 2k49 s THR 103 Cb 0.18 -3.76 0.09 0.00 -1.51 0.00 0.00 72.50 67.50 2k49 s THR 103 CO 0.28 -0.10 0.88 0.35 -2.21 0.00 0.00 174.62 173.82 2k49 n THR 104 N -0.08 0.00 -2.01 5.08 -2.24 -1.26 -4.93 114.28 108.85 2k49 n THR 104 Ca 0.04 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 2k49 n THR 104 Cb 0.52 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.12 3.34 -0.22 4.28 2.01 -1.26 -4.96 115.64 117.71 2k49 s THR 105 Ca 0.14 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 2k49 s THR 105 Cb 0.11 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2k49 s THR 105 CO 0.18 -0.86 0.02 -0.63 -0.69 0.00 0.00 174.62 172.64 2k49 s ILE 106 N 9.42 4.00 -0.23 1.82 1.01 -1.26 -0.84 121.20 135.12 2k49 s ILE 106 Ca 0.69 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 61.00 2k49 s ILE 106 Cb -0.12 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2k49 s ILE 106 CO 0.18 0.39 0.01 -0.54 0.00 0.00 0.00 174.94 174.98 2k49 s LYS 107 N 1.33 3.51 -0.45 2.79 1.02 0.61 -5.00 119.74 123.56 2k49 s LYS 107 Ca 0.04 -0.55 -0.26 0.00 0.02 0.00 0.00 55.97 55.22 2k49 s LYS 107 Cb -0.15 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2k49 s LYS 107 CO 0.01 -0.18 0.94 0.34 -0.92 0.00 0.00 175.35 175.54 2k49 s ASP 108 N 1.52 6.53 0.00 2.83 -1.08 -1.26 -0.91 116.67 124.30 2k49 s ASP 108 Ca 0.06 0.19 0.19 0.00 -0.52 0.00 0.00 52.55 52.47 2k49 s ASP 108 Cb -0.15 -2.46 0.25 0.00 -1.46 0.00 0.00 42.92 39.11 2k49 s ASP 108 CO 0.00 -1.04 1.20 0.18 0.52 0.00 0.00 175.17 176.02 2k49 n LEU 109 N 7.17 2.87 -0.12 -1.34 4.77 0.21 -4.59 117.00 125.96 2k49 n LEU 109 Ca 0.07 -1.26 -0.10 0.00 -0.03 0.00 0.00 56.01 54.68 2k49 n LEU 109 Cb 0.48 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2k49 n LEU 109 CO 0.64 0.57 0.80 0.71 -1.33 0.00 0.00 177.39 178.78 2k49 h THR 110 N 3.70 1.25 0.80 -5.08 1.35 -1.63 -3.02 112.91 110.28 2k49 h THR 110 Ca 0.00 -0.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.89 2k49 h THR 110 Cb 0.83 1.15 0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2k49 h THR 110 CO 0.00 0.31 -0.38 -0.07 -0.25 0.00 0.00 175.52 175.13 2k49 h LEU 111 N 0.45 -0.90 -7.26 3.87 3.38 -1.89 -3.40 115.31 109.56 2k49 h LEU 111 Ca 0.11 0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.44 2k49 h LEU 111 Cb 0.42 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 2k49 h LEU 111 CO 0.01 -0.64 0.86 -1.83 0.09 0.00 0.00 178.44 176.94 2k49 s GLU 112 N -5.96 0.34 -0.55 1.13 4.04 -1.14 -5.10 118.70 111.47 2k49 s GLU 112 Ca -0.18 -0.19 0.04 0.00 0.04 0.00 0.00 54.97 54.67 2k49 s GLU 112 Cb 0.03 0.11 0.16 0.00 0.02 0.00 0.00 34.13 34.45 2k49 s GLU 112 CO 0.60 -0.16 0.39 -1.58 -1.84 0.00 0.00 175.26 172.67 2k49 s HIS 113 N -2.33 2.42 0.40 4.83 2.46 -1.26 -4.36 115.29 117.46 2k49 s HIS 113 Ca 0.16 -2.82 -0.26 0.00 0.47 0.00 0.00 55.06 52.61 2k49 s HIS 113 Cb 0.05 -1.95 -0.09 0.00 -0.13 0.00 0.00 32.58 30.45 2k49 s HIS 113 CO -0.04 -0.69 1.36 -3.38 -2.47 0.00 0.00 174.74 169.52 2k49 s HIS 114 N -0.56 2.72 -0.75 3.88 -3.43 -1.26 -4.16 115.29 111.74 2k49 s HIS 114 Ca 0.26 1.34 -0.01 0.00 -0.80 0.00 0.00 55.06 55.85 2k49 s HIS 114 Cb -0.06 -3.78 -0.01 0.00 -1.43 0.00 0.00 32.58 27.29 2k49 s HIS 114 CO -0.14 -2.39 0.69 1.58 -2.00 0.00 0.00 174.74 172.48 2k49 n HIS 115 N 0.17 -2.69 -3.78 0.38 -0.00 -1.26 -5.02 115.22 103.01 2k49 n HIS 115 Ca 0.03 1.01 -0.30 0.00 -0.00 0.00 0.00 57.72 58.46 2k49 n HIS 115 Cb 0.42 -3.96 -0.14 0.00 -0.00 0.00 0.00 29.99 26.32 2k49 n HIS 115 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k49 s HIS 116 N -3.07 2.27 -0.28 1.57 5.04 -1.26 -5.09 115.29 114.47 2k49 s HIS 116 Ca 0.09 -2.41 -0.22 0.00 -1.54 0.00 0.00 55.06 50.97 2k49 s HIS 116 Cb -0.01 -2.08 0.12 0.00 0.04 0.00 0.00 32.58 30.65 2k49 s HIS 116 CO 0.70 -0.82 0.96 -1.58 -2.34 0.00 0.00 174.74 171.66 2k49 s HIS 117 N 0.66 -0.57 -2.00 3.88 5.04 -1.26 -5.21 115.29 115.84 2k49 s HIS 117 Ca 0.15 1.30 0.21 0.00 -1.54 0.00 0.00 55.06 55.18 2k49 s HIS 117 Cb -0.22 0.37 1.24 0.00 0.04 0.00 0.00 32.58 34.01 2k49 s HIS 117 CO -0.07 -0.28 1.62 0.72 -2.34 0.00 0.00 174.74 174.40