#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 6.97 0.00 7.83 0.01 -1.26 -3.25 113.70 124.00 2k49 s SER 2 Ca 0.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2k49 s SER 2 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2k49 s SER 2 CO 0.00 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2k49 n GLY 3 N 2.64 -2.21 3.70 3.44 0.00 -1.24 -4.62 105.19 106.91 2k49 n GLY 3 Ca -0.05 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2k49 n GLY 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k49 s TRP 4 N 0.00 0.35 -0.11 1.61 -2.14 -1.17 -4.72 118.94 112.76 2k49 s TRP 4 Ca 0.00 -0.84 0.01 0.00 2.66 0.00 0.00 56.10 57.93 2k49 s TRP 4 Cb 0.00 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.85 2k49 s TRP 4 CO 0.00 -1.34 -0.15 0.71 -2.66 0.00 0.00 176.95 173.52 2k49 s TYR 5 N -2.96 2.76 -0.18 1.66 1.51 -0.15 -1.56 117.35 118.44 2k49 s TYR 5 Ca 0.20 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2k49 s TYR 5 Cb -0.03 -1.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2k49 s TYR 5 CO 0.13 -0.18 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.08 2k49 s GLU 6 N 0.18 1.99 -0.01 -0.62 2.02 -0.55 0.40 118.70 122.12 2k49 s GLU 6 Ca -0.09 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 2k49 s GLU 6 Cb -0.15 -2.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 2k49 s GLU 6 CO 0.05 -0.37 0.48 -1.17 0.02 0.00 0.00 175.26 174.27 2k49 s LEU 7 N 1.47 4.43 0.13 1.80 2.96 0.36 -0.89 118.68 128.95 2k49 s LEU 7 Ca 0.01 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.98 2k49 s LEU 7 Cb -0.15 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2k49 s LEU 7 CO -0.09 0.22 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.11 2k49 s SER 8 N -0.59 1.81 0.16 3.68 1.04 0.45 -0.10 113.70 120.15 2k49 s SER 8 Ca 0.26 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.82 2k49 s SER 8 Cb -0.17 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 2k49 s SER 8 CO 0.14 -0.27 0.05 -0.75 0.98 0.00 0.00 173.24 173.40 2k49 s LYS 9 N -3.30 2.63 0.46 4.02 2.20 -1.26 0.01 119.74 124.51 2k49 s LYS 9 Ca 0.13 -0.97 0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2k49 s LYS 9 Cb -0.00 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2k49 s LYS 9 CO 0.01 0.48 0.35 0.45 -0.36 0.00 0.00 175.35 176.29 2k49 s SER 10 N -2.91 4.77 0.54 1.43 0.15 0.29 -4.95 113.70 113.02 2k49 s SER 10 Ca 0.29 -0.99 0.36 0.00 0.70 0.00 0.00 55.95 56.31 2k49 s SER 10 Cb -0.10 -0.20 1.88 0.00 -1.71 0.00 0.00 66.02 65.89 2k49 s SER 10 CO 0.21 -0.80 2.10 0.28 1.20 0.00 0.00 173.24 176.23 2k49 h SER 11 N 1.00 0.00 -0.12 5.45 0.02 -2.01 0.74 113.55 118.63 2k49 h SER 11 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2k49 h SER 11 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2k49 h SER 11 CO 0.60 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 2k49 n ASN 12 N -2.83 0.92 -0.61 3.07 3.02 -1.26 -4.87 115.26 112.70 2k49 n ASN 12 Ca -0.02 -1.71 -0.08 0.00 -0.03 0.00 0.00 54.58 52.75 2k49 n ASN 12 Cb 0.11 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 13 N -0.12 -4.79 -4.93 6.41 2.03 0.25 -5.01 116.55 110.39 2k49 n ASP 13 Ca 0.12 0.20 -0.26 0.00 0.52 0.00 0.00 54.79 55.37 2k49 n ASP 13 Cb 0.19 -2.99 0.06 0.00 -0.72 0.00 0.00 41.12 37.65 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k49 s GLN 14 N -2.38 2.45 0.10 -0.67 -0.21 -1.25 -4.82 119.66 112.88 2k49 s GLN 14 Ca 0.00 -0.17 0.10 0.00 0.02 0.00 0.00 55.36 55.31 2k49 s GLN 14 Cb 0.00 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 2k49 s GLN 14 CO 0.00 -1.05 -0.26 -0.06 -2.12 0.00 0.00 175.29 171.80 2k49 s PHE 15 N -3.16 2.21 -0.19 0.91 0.08 -0.34 -0.55 117.98 116.95 2k49 s PHE 15 Ca 0.58 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 2k49 s PHE 15 Cb -0.11 -1.24 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 2k49 s PHE 15 CO 0.45 0.24 0.40 -1.59 -0.10 0.00 0.00 175.22 174.62 2k49 s LYS 16 N -1.74 0.31 0.12 0.44 -2.85 0.10 0.09 119.74 116.21 2k49 s LYS 16 Ca 0.12 0.96 0.04 0.00 -1.00 0.00 0.00 55.97 56.09 2k49 s LYS 16 Cb -0.10 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2k49 s LYS 16 CO 0.04 -0.24 0.11 -0.59 0.10 0.00 0.00 175.35 174.78 2k49 s PHE 17 N 2.39 3.18 0.04 1.78 -0.12 -1.26 -0.41 117.98 123.58 2k49 s PHE 17 Ca -0.03 0.03 0.09 0.00 -0.05 0.00 0.00 56.93 56.97 2k49 s PHE 17 Cb -0.11 -1.57 -0.03 0.00 -0.63 0.00 0.00 43.02 40.68 2k49 s PHE 17 CO -0.12 0.52 -0.25 0.14 -0.05 0.00 0.00 175.22 175.46 2k49 s VAL 18 N -1.57 2.00 -0.14 -2.49 -7.23 -0.07 -2.03 120.40 108.86 2k49 s VAL 18 Ca 0.30 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 2k49 s VAL 18 Cb -0.11 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2k49 s VAL 18 CO 0.23 0.33 -0.07 -0.22 -0.31 0.00 0.00 175.10 175.06 2k49 s LEU 19 N -1.19 3.09 0.28 1.32 2.96 0.45 -1.48 118.68 124.11 2k49 s LEU 19 Ca 0.10 -0.18 0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2k49 s LEU 19 Cb -0.10 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2k49 s LEU 19 CO 0.02 0.18 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.58 2k49 s LYS 20 N 0.27 1.94 0.74 1.98 1.02 -0.60 -0.78 119.74 124.31 2k49 s LYS 20 Ca -0.05 -1.65 -0.05 0.00 0.02 0.00 0.00 55.97 54.24 2k49 s LYS 20 Cb -0.14 -1.92 0.11 0.00 -0.52 0.00 0.00 37.83 35.35 2k49 s LYS 20 CO 0.04 0.32 1.04 0.00 -0.92 0.00 0.00 175.35 175.82 2k49 s ALA 21 N -2.45 3.27 0.38 5.17 0.00 0.26 -3.03 121.76 125.37 2k49 s ALA 21 Ca 0.31 -1.31 0.36 0.00 0.00 0.00 0.00 51.96 51.33 2k49 s ALA 21 Cb -0.05 -2.36 1.99 0.00 0.00 0.00 0.00 23.12 22.70 2k49 s ALA 21 CO 0.17 -1.50 2.12 0.78 0.00 0.00 0.00 175.76 177.33 2k49 h GLY 22 N -0.69 0.00 0.94 0.00 0.00 -1.81 -0.77 103.07 100.75 2k49 h GLY 22 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2k49 h GLY 22 CO 0.48 0.00 -0.40 1.16 0.00 0.00 0.00 176.54 177.78 2k49 n ASN 23 N -2.79 0.55 0.00 0.19 0.23 -1.26 -4.82 115.26 107.36 2k49 n ASN 23 Ca -0.02 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.71 2k49 n ASN 23 Cb 0.07 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k49 n GLY 24 N 1.46 0.47 3.76 4.83 0.00 -0.29 -5.08 105.19 110.34 2k49 n GLY 24 Ca 0.07 0.00 -0.40 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 -0.97 4.64 0.12 1.61 2.12 -1.26 -4.81 118.70 120.16 2k49 s GLU 25 Ca 0.00 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.28 2k49 s GLU 25 Cb 0.00 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 2k49 s GLU 25 CO 0.00 0.48 1.12 0.08 -0.54 0.00 0.00 175.26 176.40 2k49 s VAL 26 N -0.87 4.03 -0.11 3.70 1.01 -1.26 -0.58 120.40 126.32 2k49 s VAL 26 Ca 0.39 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 2k49 s VAL 26 Cb -0.23 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2k49 s VAL 26 CO 0.27 0.21 -0.12 2.30 0.00 0.00 0.00 175.10 177.77 2k49 n ILE 27 N 3.08 0.62 -4.72 2.22 -5.35 0.04 -4.84 119.36 110.42 2k49 n ILE 27 Ca 0.05 -0.21 -0.25 0.00 -0.27 0.00 0.00 62.75 62.07 2k49 n ILE 27 Cb 0.47 -1.17 -0.15 0.00 -1.74 0.00 0.00 39.64 37.06 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -6.00 2.11 -0.00 7.28 2.01 -1.13 -3.77 118.68 119.19 2k49 s LEU 28 Ca -0.15 -0.44 -0.00 0.00 0.01 0.00 0.00 54.13 53.55 2k49 s LEU 28 Cb 0.05 -0.93 0.00 0.00 0.01 0.00 0.00 46.19 45.32 2k49 s LEU 28 CO 0.23 0.17 0.00 -0.89 1.01 0.00 0.00 176.35 176.88 2k49 s THR 29 N -0.65 0.00 0.19 5.49 2.01 0.40 -0.41 115.64 122.67 2k49 s THR 29 Ca 0.07 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.09 2k49 s THR 29 Cb -0.08 -0.02 0.03 0.00 0.01 0.00 0.00 72.50 72.44 2k49 s THR 29 CO 0.01 -0.00 0.25 -0.24 -0.69 0.00 0.00 174.62 173.95 2k49 n SER 30 N 3.06 0.78 -1.58 3.53 2.88 -0.86 0.20 113.62 121.63 2k49 n SER 30 Ca -0.12 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.90 2k49 n SER 30 Cb 0.60 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.37 1.59 -2.67 -1.46 1.02 -1.26 -4.69 120.64 111.79 2k49 n GLU 31 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 2k49 n GLU 31 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.59 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k49 s LEU 32 N 0.00 3.66 0.46 -4.62 1.43 -1.25 -4.18 118.68 114.18 2k49 s LEU 32 Ca 0.00 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2k49 s LEU 32 Cb 0.00 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 2k49 s LEU 32 CO 0.00 -1.49 0.95 -0.31 0.23 0.00 0.00 176.35 175.73 2k49 s TYR 33 N 4.76 3.38 -0.08 0.29 1.51 0.11 -4.80 117.35 122.52 2k49 s TYR 33 Ca 0.35 1.51 -0.27 0.00 -1.01 0.00 0.00 57.07 57.65 2k49 s TYR 33 Cb -0.10 -2.80 -0.23 0.00 -0.11 0.00 0.00 41.96 38.72 2k49 s TYR 33 CO 0.20 -0.21 1.00 1.79 -1.11 0.00 0.00 175.55 177.22 2k49 h THR 34 N 1.46 1.60 -3.60 -0.71 1.35 -1.94 -0.90 112.91 110.17 2k49 h THR 34 Ca -0.48 -1.81 -0.67 0.00 -0.55 0.00 0.00 66.41 62.90 2k49 h THR 34 Cb 1.18 2.82 -0.16 0.00 -1.73 0.00 0.00 68.15 70.26 2k49 h THR 34 CO 0.61 0.47 -0.74 -0.83 -0.25 0.00 0.00 175.52 174.79 2k49 s GLY 35 N -3.76 1.77 0.39 5.82 0.00 -1.26 -4.70 107.32 105.58 2k49 s GLY 35 Ca -0.17 -1.21 0.13 0.00 0.00 0.00 0.00 44.72 43.46 2k49 s GLY 35 CO 0.69 -1.17 1.86 1.70 0.00 0.00 0.00 173.10 176.18 2k49 h LYS 36 N 3.80 0.00 -0.11 2.90 3.64 -1.94 -2.20 116.57 122.66 2k49 h LYS 36 Ca -0.49 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2k49 h LYS 36 Cb 1.17 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2k49 h LYS 36 CO 0.52 0.33 0.02 1.03 -2.27 0.00 0.00 179.45 179.08 2k49 h SER 37 N 0.00 -0.00 -0.50 4.20 0.87 -1.99 -0.08 113.55 116.04 2k49 h SER 37 Ca -0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2k49 h SER 37 Cb 0.59 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2k49 h SER 37 CO 0.04 0.02 0.29 1.23 -0.53 0.00 0.00 176.83 177.88 2k49 h GLY 38 N 0.06 0.77 0.82 5.77 0.00 -1.89 0.39 103.07 108.99 2k49 h GLY 38 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2k49 h GLY 38 CO -0.07 0.32 -0.08 0.00 0.00 0.00 0.00 176.54 176.70 2k49 h ALA 39 N 1.59 -0.23 -0.53 3.60 0.00 -0.94 -0.04 119.26 122.70 2k49 h ALA 39 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k49 h ALA 39 Cb 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2k49 h ALA 39 CO -0.03 -0.54 0.34 0.52 0.00 0.00 0.00 179.25 179.54 2k49 h MET 40 N -0.42 0.70 -0.69 0.00 2.86 -0.85 -0.87 114.93 115.66 2k49 h MET 40 Ca -0.02 -0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2k49 h MET 40 Cb 0.33 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 31.74 2k49 h MET 40 CO 0.04 0.48 0.24 -0.97 1.06 0.00 0.00 176.91 177.76 2k49 h ASN 41 N 0.71 0.19 -0.77 1.22 -1.24 -0.86 0.19 115.58 115.02 2k49 h ASN 41 Ca 0.19 0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.32 2k49 h ASN 41 Cb -0.06 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 2k49 h ASN 41 CO -0.04 0.08 0.51 1.23 -1.29 0.00 0.00 177.43 177.92 2k49 h GLY 42 N 0.38 1.08 0.84 1.57 0.00 -0.26 -0.77 103.07 105.92 2k49 h GLY 42 Ca 0.37 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2k49 h GLY 42 CO -0.39 0.37 0.00 -2.22 0.00 0.00 0.00 176.54 174.30 2k49 h ILE 43 N 1.01 1.14 -0.05 2.60 2.04 0.65 -0.17 117.51 124.73 2k49 h ILE 43 Ca 0.29 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2k49 h ILE 43 Cb -0.06 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2k49 h ILE 43 CO -0.07 0.10 -0.00 -0.33 0.00 0.00 0.00 178.15 177.85 2k49 h GLU 44 N -0.15 0.06 -0.35 2.37 5.08 -0.71 -0.11 114.58 120.77 2k49 h GLU 44 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k49 h GLU 44 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k49 h GLU 44 CO -0.00 0.07 0.03 0.77 -1.00 0.00 0.00 179.01 178.88 2k49 h SER 45 N 0.06 0.58 -0.32 1.42 0.02 -0.67 -1.32 113.55 113.33 2k49 h SER 45 Ca 0.02 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2k49 h SER 45 Cb 0.05 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2k49 h SER 45 CO 0.00 0.73 0.15 0.58 -1.14 0.00 0.00 176.83 177.14 2k49 h VAL 46 N 0.42 0.97 -0.37 2.27 2.07 0.54 0.16 116.25 122.30 2k49 h VAL 46 Ca 0.10 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k49 h VAL 46 Cb 0.41 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2k49 h VAL 46 CO 0.01 0.06 0.12 1.56 0.02 0.00 0.00 177.57 179.34 2k49 h GLN 47 N 0.31 0.26 -0.52 1.57 4.20 -1.04 0.46 115.11 120.36 2k49 h GLN 47 Ca 0.14 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 2k49 h GLN 47 Cb 0.06 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2k49 h GLN 47 CO -0.11 0.17 -0.09 1.15 -0.67 0.00 0.00 178.83 179.29 2k49 h THR 48 N 0.27 1.26 0.00 -0.54 2.02 -0.91 -3.14 112.91 111.87 2k49 h THR 48 Ca 0.17 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 2k49 h THR 48 Cb 0.16 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k49 h THR 48 CO -0.19 0.43 -0.71 0.78 0.37 0.00 0.00 175.52 176.20 2k49 h ASN 49 N 0.85 0.00 -0.92 4.18 2.35 -0.43 -3.39 115.58 118.22 2k49 h ASN 49 Ca 0.14 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.04 2k49 h ASN 49 Cb 0.63 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.85 2k49 h ASN 49 CO 0.04 0.61 -0.34 -0.24 -1.65 0.00 0.00 177.43 175.86 2k49 n SER 50 N -3.21 -0.56 -0.16 5.81 2.88 0.16 -0.06 113.62 118.48 2k49 n SER 50 Ca 0.00 1.60 0.07 0.00 -1.33 0.00 0.00 58.87 59.22 2k49 n SER 50 Cb 0.79 -0.38 0.38 0.00 -0.75 0.00 0.00 64.21 64.24 2k49 n SER 50 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k49 n PRO 51 N -5.38 1.21 -3.61 -1.46 -0.04 -1.26 -4.25 135.00 120.21 2k49 n PRO 51 Ca 0.10 -0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 62.85 2k49 n PRO 51 Cb 0.38 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 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 4.02 0.45 0.52 1.01 0.91 -4.94 121.20 121.26 2k49 s ILE 52 Ca 0.23 -1.75 0.17 0.00 0.00 0.00 0.00 60.65 59.29 2k49 s ILE 52 Cb 0.11 -3.62 0.35 0.00 0.01 0.00 0.00 42.46 39.31 2k49 s ILE 52 CO 0.18 -0.69 1.96 -0.08 0.00 0.00 0.00 174.94 176.31 2k49 h GLU 53 N 8.36 0.32 0.00 2.79 4.57 -1.85 -1.74 114.58 127.03 2k49 h GLU 53 Ca -0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2k49 h GLU 53 Cb 1.07 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2k49 h GLU 53 CO 0.81 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 178.84 2k49 n ALA 54 N -2.54 1.64 0.16 2.92 0.00 -1.26 -1.39 120.51 120.04 2k49 n ALA 54 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.58 2k49 n ALA 54 Cb 0.47 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.23 2.00 -3.29 0.00 5.12 -0.65 -5.02 116.66 113.58 2k49 n ARG 55 Ca 0.05 -1.83 -0.34 0.00 -1.93 0.00 0.00 57.85 53.79 2k49 n ARG 55 Cb 0.07 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 2k49 n ARG 55 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2k49 s TYR 56 N -1.11 3.54 0.00 -1.55 5.04 -0.48 -2.35 117.35 120.43 2k49 s TYR 56 Ca 0.24 1.10 -0.02 0.00 -2.44 0.00 0.00 57.07 55.95 2k49 s TYR 56 Cb 0.14 -2.41 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 2k49 s TYR 56 CO 0.20 0.33 0.03 0.00 -1.34 0.00 0.00 175.55 174.76 2k49 s ALA 57 N -1.63 -0.05 -0.09 3.97 0.00 -0.78 -4.97 121.76 118.21 2k49 s ALA 57 Ca 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 2k49 s ALA 57 Cb -0.14 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2k49 s ALA 57 CO 0.20 -0.12 -0.01 0.15 0.00 0.00 0.00 175.76 175.97 2k49 s LYS 58 N -0.93 3.01 -0.05 0.00 1.02 -1.26 -0.71 119.74 120.81 2k49 s LYS 58 Ca -0.10 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 2k49 s LYS 58 Cb -0.06 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2k49 s LYS 58 CO -0.00 0.65 -0.00 -1.21 -0.92 0.00 0.00 175.35 173.87 2k49 s GLU 59 N -0.75 0.51 -0.26 1.68 0.41 -0.43 -4.90 118.70 114.97 2k49 s GLU 59 Ca 0.12 0.09 0.02 0.00 -0.41 0.00 0.00 54.97 54.78 2k49 s GLU 59 Cb -0.11 -0.79 0.06 0.00 -1.78 0.00 0.00 34.13 31.50 2k49 s GLU 59 CO 0.02 -0.22 -0.11 0.08 -0.49 0.00 0.00 175.26 174.54 2k49 s VAL 60 N 1.57 2.25 0.49 2.63 1.01 -1.26 -0.69 120.40 126.40 2k49 s VAL 60 Ca -0.02 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.19 2k49 s VAL 60 Cb -0.13 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2k49 s VAL 60 CO -0.03 0.01 1.15 0.00 0.00 0.00 0.00 175.10 176.22 2k49 s ALA 61 N 1.13 2.86 -0.56 5.51 0.00 -0.79 -4.88 121.76 125.03 2k49 s ALA 61 Ca -0.08 0.88 0.13 0.00 0.00 0.00 0.00 51.96 52.90 2k49 s ALA 61 Cb -0.19 -3.37 0.69 0.00 0.00 0.00 0.00 23.12 20.24 2k49 s ALA 61 CO -0.05 -0.69 1.40 1.17 0.00 0.00 0.00 175.76 177.59 2k49 n LYS 62 N -0.83 0.08 0.00 0.00 0.00 -1.26 0.13 118.16 116.29 2k49 n LYS 62 Ca 0.09 0.55 0.00 0.00 0.00 0.00 0.00 58.31 58.95 2k49 n LYS 62 Cb 0.49 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2k49 n LYS 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2k49 n ASN 63 N -1.93 0.10 -3.58 3.14 4.05 -1.26 -4.83 115.26 110.94 2k49 n ASN 63 Ca -0.00 -1.28 -0.25 0.00 0.45 0.00 0.00 54.58 53.49 2k49 n ASN 63 Cb 0.04 -0.05 0.06 0.00 1.23 0.00 0.00 39.78 41.06 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2k49 n ASP 64 N -0.40 -6.02 -4.19 1.20 9.92 0.12 -4.98 116.55 112.19 2k49 n ASP 64 Ca 0.00 -0.55 -0.40 0.00 -0.53 0.00 0.00 54.79 53.31 2k49 n ASP 64 Cb 0.02 -4.77 -0.09 0.00 -0.64 0.00 0.00 41.12 35.65 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k49 s LYS 65 N -6.30 2.39 -0.72 -1.24 1.02 -1.09 -4.94 119.74 108.87 2k49 s LYS 65 Ca 0.57 -1.78 -0.27 0.00 0.02 0.00 0.00 55.97 54.50 2k49 s LYS 65 Cb -0.26 -3.86 0.02 0.00 -0.52 0.00 0.00 37.83 33.21 2k49 s LYS 65 CO 0.70 -1.17 1.36 -1.25 -0.92 0.00 0.00 175.35 174.07 2k49 s PRO 66 N 1.31 3.11 0.33 -1.68 0.04 -1.24 -1.89 135.00 134.98 2k49 s PRO 66 Ca 0.06 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2k49 s PRO 66 Cb -0.26 -4.21 -0.00 0.00 0.04 0.00 0.00 34.50 30.08 2k49 s PRO 66 CO -0.01 -2.23 0.01 2.48 0.04 0.00 0.00 177.00 177.29 2k49 n TYR 67 N 9.86 0.71 -4.10 0.56 4.11 0.13 -4.09 117.16 124.34 2k49 n TYR 67 Ca 0.06 -1.66 -0.10 0.00 -0.00 0.00 0.00 57.90 56.20 2k49 n TYR 67 Cb 0.49 -0.20 -0.09 0.00 -0.00 0.00 0.00 39.34 39.54 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 -2.24 0.74 0.17 -3.48 -0.71 -1.26 -1.31 117.98 109.89 2k49 s PHE 68 Ca 0.01 -1.11 0.06 0.00 -1.04 0.00 0.00 56.93 54.86 2k49 s PHE 68 Cb 0.00 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 2k49 s PHE 68 CO 0.01 -0.58 -0.13 -0.80 -1.34 0.00 0.00 175.22 172.38 2k49 s ASN 69 N -3.03 2.18 -0.11 1.98 0.02 0.11 -1.46 114.94 114.62 2k49 s ASN 69 Ca 0.23 -0.98 0.02 0.00 -1.02 0.00 0.00 52.86 51.11 2k49 s ASN 69 Cb 0.06 -0.08 0.01 0.00 0.02 0.00 0.00 41.25 41.27 2k49 s ASN 69 CO 0.02 -0.23 -0.18 -0.22 0.02 0.00 0.00 177.10 176.51 2k49 s LEU 70 N -3.11 1.88 -0.01 0.60 2.96 0.40 -1.86 118.68 119.53 2k49 s LEU 70 Ca 0.18 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2k49 s LEU 70 Cb -0.00 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 2k49 s LEU 70 CO 0.04 0.06 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.37 2k49 s LYS 71 N 0.77 2.16 1.08 1.98 1.02 -0.99 -1.74 119.74 124.02 2k49 s LYS 71 Ca -0.10 -0.90 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 2k49 s LYS 71 Cb -0.16 -2.14 0.24 0.00 -0.52 0.00 0.00 37.83 35.25 2k49 s LYS 71 CO 0.01 0.57 1.21 0.00 -0.92 0.00 0.00 175.35 176.21 2k49 s ALA 72 N -0.72 1.39 0.25 5.17 0.00 -0.79 -4.81 121.76 122.25 2k49 s ALA 72 Ca 0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 2k49 s ALA 72 Cb -0.10 -2.84 0.47 0.00 0.00 0.00 0.00 23.12 20.64 2k49 s ALA 72 CO 0.01 -3.01 1.72 0.00 0.00 0.00 0.00 175.76 174.48 2k49 h ALA 73 N -2.11 1.07 0.00 0.00 0.00 -1.97 0.13 119.26 116.37 2k49 h ALA 73 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k49 h ALA 73 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k49 h ALA 73 CO 0.37 -0.23 0.00 -1.71 0.00 0.00 0.00 179.25 177.69 2k49 n ASN 74 N -5.02 0.32 -0.01 0.00 5.15 -1.26 -4.83 115.26 109.61 2k49 n ASN 74 Ca 0.15 -1.86 -0.00 0.00 -0.60 0.00 0.00 54.58 52.26 2k49 n ASN 74 Cb 0.43 -0.16 -0.00 0.00 -0.53 0.00 0.00 39.78 39.52 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 -0.32 0.00 -2.57 1.20 8.25 0.44 -4.99 115.22 117.23 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 0.08 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 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 -0.62 4.44 -0.41 -0.41 -2.07 -1.26 -4.74 119.66 114.59 2k49 s GLN 76 Ca 0.00 1.58 -0.29 0.00 -1.82 0.00 0.00 55.36 54.83 2k49 s GLN 76 Cb 0.00 -2.85 0.00 0.00 -1.09 0.00 0.00 33.01 29.07 2k49 s GLN 76 CO 0.00 0.09 1.53 0.42 -1.32 0.00 0.00 175.29 176.01 2k49 s ILE 77 N -1.45 3.76 -0.21 3.63 -1.09 -1.26 -1.89 121.20 122.69 2k49 s ILE 77 Ca 0.51 0.76 0.11 0.00 -2.23 0.00 0.00 60.65 59.79 2k49 s ILE 77 Cb -0.25 -4.06 -0.15 0.00 -1.58 0.00 0.00 42.46 36.42 2k49 s ILE 77 CO 0.32 -0.71 0.32 2.30 -1.23 0.00 0.00 174.94 175.94 2k49 n ILE 78 N 7.16 0.00 -3.77 2.92 -5.35 -0.78 -4.73 119.36 114.82 2k49 n ILE 78 Ca 0.18 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 2k49 n ILE 78 Cb 0.48 0.56 -0.13 0.00 -1.74 0.00 0.00 39.64 38.81 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -2.73 -0.12 -0.05 3.28 0.00 -0.71 -4.30 107.32 102.70 2k49 s GLY 79 Ca -0.01 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 2k49 s GLY 79 CO 0.44 0.86 0.04 -1.59 0.00 0.00 0.00 173.10 172.85 2k49 s THR 80 N 0.75 0.05 0.92 0.90 2.01 0.13 -0.45 115.64 119.96 2k49 s THR 80 Ca -0.05 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2k49 s THR 80 Cb -0.07 -0.26 0.15 0.00 0.01 0.00 0.00 72.50 72.32 2k49 s THR 80 CO -0.04 0.19 1.16 -0.94 -0.69 0.00 0.00 174.62 174.30 2k49 s SER 81 N 1.95 3.41 0.99 3.53 1.04 -0.54 -0.45 113.70 123.63 2k49 s SER 81 Ca 0.03 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.18 2k49 s SER 81 Cb -0.12 -1.37 0.19 0.00 0.10 0.00 0.00 66.02 64.82 2k49 s SER 81 CO -0.03 -2.60 1.17 0.00 0.98 0.00 0.00 173.24 172.75 2k49 s GLN 82 N -5.37 0.45 -0.58 4.02 0.00 -1.25 -4.80 119.66 112.13 2k49 s GLN 82 Ca 0.65 0.08 -0.27 0.00 -0.00 0.00 0.00 55.36 55.82 2k49 s GLN 82 Cb -0.13 -1.78 0.03 0.00 0.00 0.00 0.00 33.01 31.13 2k49 s GLN 82 CO 0.53 -2.62 1.13 0.00 0.00 0.00 0.00 175.29 174.33 2k49 s MET 83 N -5.42 3.44 0.28 9.60 0.23 -1.26 -4.70 119.30 121.47 2k49 s MET 83 Ca 0.68 0.06 -0.20 0.00 -1.03 0.00 0.00 55.69 55.20 2k49 s MET 83 Cb -0.12 -4.04 -0.09 0.00 -1.53 0.00 0.00 34.83 29.06 2k49 s MET 83 CO 0.54 -1.66 0.79 0.71 -2.03 0.00 0.00 175.02 173.37 2k49 s TYR 84 N 4.72 3.58 -0.16 3.16 2.02 -1.26 -4.99 117.35 124.42 2k49 s TYR 84 Ca 0.39 1.46 0.10 0.00 -0.37 0.00 0.00 57.07 58.64 2k49 s TYR 84 Cb -0.09 -2.69 -0.23 0.00 -0.40 0.00 0.00 41.96 38.55 2k49 s TYR 84 CO 0.23 0.23 0.21 0.45 -1.57 0.00 0.00 175.55 175.09 2k49 n SER 85 N 0.37 0.95 -4.63 2.29 2.88 -1.26 -3.61 113.62 110.60 2k49 n SER 85 Ca 0.00 0.11 -0.35 0.00 -1.33 0.00 0.00 58.87 57.31 2k49 n SER 85 Cb 0.51 0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 64.03 2k49 n SER 85 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k49 s SER 86 N -6.08 5.25 0.23 -3.46 1.04 -1.26 -4.90 113.70 104.51 2k49 s SER 86 Ca -0.16 0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.27 2k49 s SER 86 Cb 0.07 -1.69 0.20 0.00 0.10 0.00 0.00 66.02 64.71 2k49 s SER 86 CO 0.77 0.28 1.86 0.71 0.98 0.00 0.00 173.24 177.84 2k49 h THR 87 N 4.58 1.25 -0.74 2.02 1.35 -1.91 -2.72 112.91 116.75 2k49 h THR 87 Ca -0.42 -0.61 0.09 0.00 -0.55 0.00 0.00 66.41 64.92 2k49 h THR 87 Cb 1.19 0.05 -0.07 0.00 -1.73 0.00 0.00 68.15 67.58 2k49 h THR 87 CO 0.60 0.28 0.39 0.00 -0.25 0.00 0.00 175.52 176.54 2k49 h ALA 88 N 1.27 1.03 -0.09 6.62 0.00 -1.99 -0.58 119.26 125.53 2k49 h ALA 88 Ca 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2k49 h ALA 88 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k49 h ALA 88 CO -0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.11 2k49 h ALA 89 N 1.43 1.68 0.08 0.00 0.00 -1.91 -0.27 119.26 120.28 2k49 h ALA 89 Ca 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k49 h ALA 89 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k49 h ALA 89 CO -0.26 0.24 -0.04 -0.09 0.00 0.00 0.00 179.25 179.10 2k49 h ARG 90 N 0.13 -0.11 -0.69 0.00 1.12 -1.02 -0.65 114.38 113.15 2k49 h ARG 90 Ca 0.03 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 2k49 h ARG 90 Cb 0.25 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.20 2k49 h ARG 90 CO 0.01 0.33 0.17 -0.44 -3.11 0.00 0.00 179.97 176.94 2k49 h ASP 91 N -0.60 1.05 -0.61 -3.80 3.32 -1.13 -1.15 116.42 113.50 2k49 h ASP 91 Ca -0.01 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k49 h ASP 91 Cb 0.49 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2k49 h ASP 91 CO 0.02 1.01 0.38 0.78 -1.72 0.00 0.00 179.24 179.71 2k49 h ASN 92 N 1.04 0.73 -0.80 6.45 2.35 -1.11 -1.70 115.58 122.54 2k49 h ASN 92 Ca 0.22 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2k49 h ASN 92 Cb 0.37 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2k49 h ASN 92 CO 0.00 0.56 0.53 1.23 -1.65 0.00 0.00 177.43 178.10 2k49 h GLY 93 N 0.88 1.13 0.80 2.83 0.00 -0.06 0.12 103.07 108.77 2k49 h GLY 93 Ca 0.22 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2k49 h GLY 93 CO -0.04 0.40 -0.16 -2.22 0.00 0.00 0.00 176.54 174.52 2k49 h ILE 94 N 1.07 0.65 -0.80 2.60 2.04 -0.34 -0.34 117.51 122.40 2k49 h ILE 94 Ca 0.30 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.18 2k49 h ILE 94 Cb -0.10 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2k49 h ILE 94 CO -0.07 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.72 2k49 h LYS 95 N -0.33 1.01 -0.03 2.37 1.57 -1.10 -2.17 116.57 117.88 2k49 h LYS 95 Ca 0.01 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2k49 h LYS 95 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2k49 h LYS 95 CO -0.05 0.67 -0.01 0.77 -0.57 0.00 0.00 179.45 180.26 2k49 h SER 96 N 1.04 -0.03 0.49 0.86 0.02 -0.20 -1.61 113.55 114.10 2k49 h SER 96 Ca 0.31 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2k49 h SER 96 Cb -0.04 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2k49 h SER 96 CO -0.08 -0.01 -0.39 1.62 -1.14 0.00 0.00 176.83 176.83 2k49 h VAL 97 N -0.00 1.16 -0.48 2.27 3.04 -0.83 0.19 116.25 121.60 2k49 h VAL 97 Ca 0.02 -1.38 -0.14 0.00 -1.01 0.00 0.00 66.70 64.19 2k49 h VAL 97 Cb 0.03 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2k49 h VAL 97 CO -0.04 0.38 -0.23 0.24 -1.01 0.00 0.00 177.57 176.91 2k49 h MET 98 N 0.00 1.00 0.11 4.17 2.07 -1.15 0.35 114.93 121.49 2k49 h MET 98 Ca -0.00 -0.44 -0.27 0.00 -2.07 0.00 0.00 59.70 56.92 2k49 h MET 98 Cb 0.73 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.43 2k49 h MET 98 CO 0.05 1.12 -1.26 0.93 1.07 0.00 0.00 176.91 178.82 2k49 h GLU 99 N 0.86 0.23 0.06 1.72 5.08 -0.98 -3.39 114.58 118.16 2k49 h GLU 99 Ca 0.11 -0.40 -0.38 0.00 -1.00 0.00 0.00 59.36 57.69 2k49 h GLU 99 Cb 0.82 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2k49 h GLU 99 CO 0.07 1.17 -2.22 0.09 -1.00 0.00 0.00 179.01 177.12 2k49 n ASN 100 N -3.49 2.05 0.30 1.42 3.02 0.65 -4.39 115.26 114.82 2k49 n ASN 100 Ca -0.09 0.05 0.16 0.00 -0.03 0.00 0.00 54.58 54.68 2k49 n ASN 100 Cb 1.02 -0.65 0.88 0.00 -0.61 0.00 0.00 39.78 40.42 2k49 n ASN 100 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2k49 h GLY 101 N 1.44 0.00 0.47 7.41 0.00 -0.44 0.23 103.07 112.17 2k49 h GLY 101 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k49 h GLY 101 CO -0.01 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.11 2k49 n LYS 102 N -2.79 0.87 -2.52 4.80 2.85 -1.26 -3.93 118.16 116.19 2k49 n LYS 102 Ca -0.02 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.88 2k49 n LYS 102 Cb 0.22 -1.23 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 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 -2.00 3.68 -1.51 0.58 -1.32 0.07 -4.98 115.64 110.16 2k49 s THR 103 Ca 0.19 1.24 0.15 0.00 -1.21 0.00 0.00 61.69 62.07 2k49 s THR 103 Cb 0.09 -3.62 0.30 0.00 -1.51 0.00 0.00 72.50 67.76 2k49 s THR 103 CO 0.15 -0.03 1.21 0.35 -2.21 0.00 0.00 174.62 174.09 2k49 n THR 104 N -0.24 0.62 -2.28 5.08 -2.24 -1.26 -4.92 114.28 109.03 2k49 n THR 104 Ca 0.06 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 2k49 n THR 104 Cb 0.50 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.10 3.57 -0.12 4.28 2.01 -1.26 -4.98 115.64 118.03 2k49 s THR 105 Ca 0.26 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 2k49 s THR 105 Cb 0.15 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 2k49 s THR 105 CO 0.21 -1.37 0.26 -0.63 -0.69 0.00 0.00 174.62 172.40 2k49 s ILE 106 N 7.60 5.31 -0.08 1.82 -1.09 -1.26 -0.98 121.20 132.53 2k49 s ILE 106 Ca 0.55 0.48 0.01 0.00 -2.23 0.00 0.00 60.65 59.46 2k49 s ILE 106 Cb -0.08 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2k49 s ILE 106 CO 0.10 0.49 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.66 2k49 s LYS 107 N -0.21 1.55 -0.09 2.79 1.02 0.16 -4.95 119.74 120.02 2k49 s LYS 107 Ca 0.16 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 55.73 2k49 s LYS 107 Cb -0.13 -1.39 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2k49 s LYS 107 CO 0.05 -0.07 0.21 0.34 -0.92 0.00 0.00 175.35 174.96 2k49 s ASP 108 N 0.98 6.50 -0.06 2.83 2.15 -1.26 -0.48 116.67 127.32 2k49 s ASP 108 Ca -0.09 0.60 0.09 0.00 0.43 0.00 0.00 52.55 53.58 2k49 s ASP 108 Cb -0.15 -2.12 0.14 0.00 -0.30 0.00 0.00 42.92 40.49 2k49 s ASP 108 CO 0.00 0.39 1.03 0.18 -0.17 0.00 0.00 175.17 176.60 2k49 n LEU 109 N 1.95 1.76 -0.09 -1.34 4.77 0.85 -4.62 117.00 120.28 2k49 n LEU 109 Ca -0.18 -2.23 -0.16 0.00 -0.03 0.00 0.00 56.01 53.41 2k49 n LEU 109 Cb 0.54 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2k49 n LEU 109 CO 0.33 0.53 -1.17 0.35 -1.33 0.00 0.00 177.39 176.10 2k49 n THR 110 N -0.84 1.53 0.12 -5.08 -2.24 -1.25 -4.41 114.28 102.11 2k49 n THR 110 Ca 0.07 -0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 60.98 2k49 n THR 110 Cb 0.51 -1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 67.32 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 0.01 0.69 0.00 3.22 3.38 -1.94 -3.48 115.31 117.19 2k49 h LEU 111 Ca -0.53 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 56.64 2k49 h LEU 111 Cb 2.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2k49 h LEU 111 CO -0.02 1.64 0.00 -1.84 0.09 0.00 0.00 178.44 178.31 2k49 n GLU 112 N -3.64 2.89 -0.09 1.13 0.28 -1.26 -5.09 120.64 114.86 2k49 n GLU 112 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2k49 n GLU 112 Cb 1.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.95 2k49 n GLU 112 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k49 n HIS 113 N -0.15 0.00 -2.68 -1.84 -0.00 -1.26 -4.73 115.22 104.56 2k49 n HIS 113 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2k49 n HIS 113 Cb 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 29.99 30.02 2k49 n HIS 113 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k49 s HIS 114 N 0.00 3.17 -0.13 1.57 3.76 -1.26 -5.02 115.29 117.38 2k49 s HIS 114 Ca 0.00 1.17 0.02 0.00 -0.15 0.00 0.00 55.06 56.10 2k49 s HIS 114 Cb 0.00 -3.60 0.01 0.00 1.11 0.00 0.00 32.58 30.11 2k49 s HIS 114 CO 0.00 -0.72 -0.17 -1.58 -0.85 0.00 0.00 174.74 171.42 2k49 s HIS 115 N 3.53 2.26 -0.55 1.40 2.46 -1.26 -4.95 115.29 118.17 2k49 s HIS 115 Ca 0.44 -1.14 -0.27 0.00 0.47 0.00 0.00 55.06 54.56 2k49 s HIS 115 Cb -0.13 -1.60 -0.03 0.00 -0.13 0.00 0.00 32.58 30.70 2k49 s HIS 115 CO 0.14 -0.56 1.97 -1.01 -2.47 0.00 0.00 174.74 172.81 2k49 s HIS 116 N 1.02 1.55 0.19 3.88 3.76 -1.26 -4.77 115.29 119.66 2k49 s HIS 116 Ca -0.05 0.93 0.16 0.00 -0.15 0.00 0.00 55.06 55.96 2k49 s HIS 116 Cb -0.15 -3.99 0.58 0.00 1.11 0.00 0.00 32.58 30.14 2k49 s HIS 116 CO -0.04 -2.44 1.70 1.25 -0.85 0.00 0.00 174.74 174.36 2k49 h HIS 117 N 15.70 0.00 0.00 1.40 2.76 -2.02 -3.53 115.15 129.47 2k49 h HIS 117 Ca -0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2k49 h HIS 117 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 2k49 h HIS 117 CO 1.02 0.44 0.00 0.72 -1.30 0.00 0.00 177.93 178.81