#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 h SER 2 N 0.00 0.00 -0.45 7.83 0.02 -1.84 -3.48 113.55 115.63 2k49 h SER 2 Ca 0.00 -0.16 -0.63 0.00 -0.84 0.00 0.00 61.79 60.16 2k49 h SER 2 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2k49 h SER 2 CO 0.00 0.08 -0.40 -0.83 -1.14 0.00 0.00 176.83 174.54 2k49 s GLY 3 N -3.80 2.69 0.27 -3.77 0.00 -0.87 -4.02 107.32 97.81 2k49 s GLY 3 Ca 0.05 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 2k49 s GLY 3 CO 0.72 -2.06 0.49 0.66 0.00 0.00 0.00 173.10 172.91 2k49 s TRP 4 N -2.82 0.47 -0.07 1.90 -2.14 -1.18 -4.85 118.94 110.24 2k49 s TRP 4 Ca 0.20 -0.82 -0.01 0.00 2.66 0.00 0.00 56.10 58.13 2k49 s TRP 4 Cb -0.01 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.51 2k49 s TRP 4 CO 0.12 -1.04 -0.01 0.71 -2.66 0.00 0.00 176.95 174.07 2k49 s TYR 5 N -3.78 3.12 -0.17 1.66 1.51 -0.30 -2.07 117.35 117.33 2k49 s TYR 5 Ca 0.24 0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 56.44 2k49 s TYR 5 Cb -0.01 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2k49 s TYR 5 CO 0.11 0.45 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.75 2k49 s GLU 6 N -1.01 1.36 -0.17 -0.62 2.02 -0.76 -0.53 118.70 119.00 2k49 s GLU 6 Ca 0.14 -0.51 -0.16 0.00 0.02 0.00 0.00 54.97 54.46 2k49 s GLU 6 Cb -0.11 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2k49 s GLU 6 CO 0.04 -0.45 0.40 -1.17 0.02 0.00 0.00 175.26 174.10 2k49 s LEU 7 N 1.65 4.21 0.14 1.80 2.96 0.23 -0.81 118.68 128.86 2k49 s LEU 7 Ca 0.00 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2k49 s LEU 7 Cb -0.15 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2k49 s LEU 7 CO -0.08 -0.02 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.88 2k49 s SER 8 N 0.79 1.93 -0.07 3.68 1.04 -0.22 -0.08 113.70 120.78 2k49 s SER 8 Ca 0.21 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 2k49 s SER 8 Cb -0.14 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2k49 s SER 8 CO 0.08 -0.23 0.27 -0.75 0.98 0.00 0.00 173.24 173.58 2k49 s LYS 9 N -3.23 3.70 0.65 4.02 2.20 -1.26 -1.18 119.74 124.64 2k49 s LYS 9 Ca 0.13 0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.91 2k49 s LYS 9 Cb -0.01 -3.22 0.11 0.00 -1.51 0.00 0.00 37.83 33.20 2k49 s LYS 9 CO 0.02 0.71 0.90 0.45 -0.36 0.00 0.00 175.35 177.07 2k49 s SER 10 N -0.96 4.69 0.52 1.43 0.15 0.95 -4.95 113.70 115.53 2k49 s SER 10 Ca 0.19 -0.64 0.21 0.00 0.70 0.00 0.00 55.95 56.42 2k49 s SER 10 Cb -0.14 0.20 1.38 0.00 -1.71 0.00 0.00 66.02 65.75 2k49 s SER 10 CO 0.08 -1.63 2.12 0.77 1.20 0.00 0.00 173.24 175.78 2k49 h SER 11 N -0.19 0.00 -0.24 5.45 4.64 -1.96 -0.02 113.55 121.22 2k49 h SER 11 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2k49 h SER 11 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2k49 h SER 11 CO 0.40 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 177.02 2k49 n ASN 12 N -4.12 1.39 0.00 4.97 3.02 -1.26 -4.87 115.26 114.40 2k49 n ASN 12 Ca -0.03 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 2k49 n ASN 12 Cb 0.16 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.22 0.00 -4.77 6.41 8.00 -0.02 -4.99 116.55 121.40 2k49 n ASP 13 Ca 0.08 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.20 2k49 n ASP 13 Cb 0.23 -1.04 -0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 -0.33 3.78 -0.14 -1.24 -0.21 -1.26 -4.56 119.66 115.70 2k49 s GLN 14 Ca 0.00 1.90 -0.06 0.00 0.02 0.00 0.00 55.36 57.22 2k49 s GLN 14 Cb 0.00 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2k49 s GLN 14 CO 0.00 -0.57 0.08 -0.06 -2.12 0.00 0.00 175.29 172.62 2k49 s PHE 15 N -1.44 3.35 -0.02 0.91 0.08 0.37 -0.04 117.98 121.21 2k49 s PHE 15 Ca 0.62 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.94 2k49 s PHE 15 Cb -0.32 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2k49 s PHE 15 CO 0.39 0.43 -0.01 -1.59 -0.10 0.00 0.00 175.22 174.34 2k49 s LYS 16 N -0.38 0.21 -0.01 0.44 0.00 -0.32 -0.53 119.74 119.15 2k49 s LYS 16 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 55.97 56.10 2k49 s LYS 16 Cb -0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 37.83 37.36 2k49 s LYS 16 CO 0.02 -0.06 -0.00 -0.59 0.00 0.00 0.00 175.35 174.72 2k49 s PHE 17 N 0.54 3.07 -0.09 1.78 -0.71 -1.26 -1.05 117.98 120.26 2k49 s PHE 17 Ca -0.05 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.96 2k49 s PHE 17 Cb -0.08 -1.68 0.00 0.00 -1.21 0.00 0.00 43.02 40.05 2k49 s PHE 17 CO -0.01 0.45 -0.23 0.14 -1.34 0.00 0.00 175.22 174.24 2k49 s VAL 18 N -1.05 1.94 -0.22 -2.49 -7.23 0.01 -2.19 120.40 109.16 2k49 s VAL 18 Ca 0.18 -0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 59.26 2k49 s VAL 18 Cb -0.11 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2k49 s VAL 18 CO 0.09 0.53 0.33 -0.22 -0.31 0.00 0.00 175.10 175.52 2k49 s LEU 19 N 0.33 4.12 -0.06 1.32 2.96 0.08 -1.83 118.68 125.61 2k49 s LEU 19 Ca -0.17 0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2k49 s LEU 19 Cb -0.17 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2k49 s LEU 19 CO 0.08 -0.06 0.12 -0.54 -1.32 0.00 0.00 176.35 174.63 2k49 s LYS 20 N 1.39 3.30 0.07 1.98 3.01 -0.88 -0.45 119.74 128.16 2k49 s LYS 20 Ca 0.15 -0.30 -0.27 0.00 -1.01 0.00 0.00 55.97 54.54 2k49 s LYS 20 Cb -0.15 -3.04 -0.17 0.00 -1.01 0.00 0.00 37.83 33.46 2k49 s LYS 20 CO 0.07 0.71 1.61 0.00 0.51 0.00 0.00 175.35 178.26 2k49 h ALA 21 N 4.44 -0.41 0.00 5.17 0.00 -1.00 -3.13 119.26 124.33 2k49 h ALA 21 Ca -0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k49 h ALA 21 Cb 1.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k49 h ALA 21 CO 0.62 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2k49 n GLY 22 N -1.09 -0.57 0.00 0.00 0.00 -1.26 -2.06 105.19 100.22 2k49 n GLY 22 Ca -0.10 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.40 0.00 0.00 1.61 0.23 -1.26 -4.79 115.26 108.65 2k49 n ASN 23 Ca 0.00 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2k49 n ASN 23 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.36 2.73 3.68 4.83 0.00 -1.26 -5.07 105.19 110.46 2k49 n GLY 24 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.64 4.13 -0.08 1.61 2.12 -1.26 -4.84 118.70 119.75 2k49 s GLU 25 Ca 0.00 2.63 -0.26 0.00 0.36 0.00 0.00 54.97 57.69 2k49 s GLU 25 Cb 0.00 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 2k49 s GLU 25 CO 0.00 -0.88 0.84 0.08 -0.54 0.00 0.00 175.26 174.76 2k49 s VAL 26 N 3.25 4.93 -0.18 3.70 1.01 -1.26 -0.33 120.40 131.51 2k49 s VAL 26 Ca 0.84 1.73 0.09 0.00 0.00 0.00 0.00 61.98 64.64 2k49 s VAL 26 Cb -0.46 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.58 2k49 s VAL 26 CO 0.38 0.14 -0.04 2.30 0.00 0.00 0.00 175.10 177.88 2k49 n ILE 27 N 4.14 1.15 -4.89 2.22 -5.35 0.40 -4.89 119.36 112.14 2k49 n ILE 27 Ca 0.03 -0.60 -0.28 0.00 -0.27 0.00 0.00 62.75 61.64 2k49 n ILE 27 Cb 0.50 -0.84 -0.17 0.00 -1.74 0.00 0.00 39.64 37.40 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 -5.61 1.87 -0.25 7.28 2.01 -1.01 -3.76 118.68 119.21 2k49 s LEU 28 Ca -0.16 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.57 2k49 s LEU 28 Cb 0.06 -1.09 0.07 0.00 0.01 0.00 0.00 46.19 45.23 2k49 s LEU 28 CO 0.59 0.11 -0.02 -0.89 1.01 0.00 0.00 176.35 177.15 2k49 s THR 29 N 0.41 1.42 0.45 5.49 2.01 0.96 -0.74 115.64 125.64 2k49 s THR 29 Ca -0.14 -1.26 -0.21 0.00 0.31 0.00 0.00 61.69 60.39 2k49 s THR 29 Cb -0.16 -1.77 -0.10 0.00 0.01 0.00 0.00 72.50 70.48 2k49 s THR 29 CO 0.06 -0.20 0.99 -0.44 -0.69 0.00 0.00 174.62 174.33 2k49 s SER 30 N 1.43 6.72 0.82 3.53 0.01 -0.93 -3.50 113.70 121.78 2k49 s SER 30 Ca -0.03 1.80 -0.12 0.00 1.31 0.00 0.00 55.95 58.91 2k49 s SER 30 Cb -0.19 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.58 2k49 s SER 30 CO -0.08 -0.51 1.17 -0.70 0.41 0.00 0.00 173.24 173.53 2k49 s GLU 31 N -3.13 1.87 -0.22 12.44 2.12 -1.26 -4.42 118.70 126.10 2k49 s GLU 31 Ca 0.63 0.15 -0.28 0.00 0.36 0.00 0.00 54.97 55.83 2k49 s GLU 31 Cb -0.13 -1.94 -0.05 0.00 0.26 0.00 0.00 34.13 32.28 2k49 s GLU 31 CO 0.16 -1.67 2.10 -0.51 -0.54 0.00 0.00 175.26 174.81 2k49 s LEU 32 N -5.64 3.55 0.05 2.70 1.43 -1.26 -4.65 118.68 114.87 2k49 s LEU 32 Ca 0.62 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 55.33 2k49 s LEU 32 Cb -0.12 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 2k49 s LEU 32 CO 0.50 -1.82 0.71 -0.31 0.23 0.00 0.00 176.35 175.66 2k49 s TYR 33 N 7.63 3.76 -1.70 0.29 1.51 0.31 -4.88 117.35 124.27 2k49 s TYR 33 Ca 0.95 1.41 0.31 0.00 -1.01 0.00 0.00 57.07 58.73 2k49 s TYR 33 Cb -0.32 -2.73 1.68 0.00 -0.11 0.00 0.00 41.96 40.48 2k49 s TYR 33 CO 0.35 0.36 2.12 0.25 -1.11 0.00 0.00 175.55 177.53 2k49 n THR 34 N 2.49 0.00 -3.76 -0.71 -2.24 -1.26 -0.47 114.28 108.33 2k49 n THR 34 Ca -0.05 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2k49 n THR 34 Cb 0.50 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 2k49 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k49 s GLY 35 N -2.31 -0.23 0.27 3.38 0.00 -1.26 -4.90 107.32 102.26 2k49 s GLY 35 Ca 0.37 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 2k49 s GLY 35 CO 0.42 0.70 1.75 1.70 0.00 0.00 0.00 173.10 177.66 2k49 h LYS 36 N 5.35 0.71 -0.54 2.90 3.64 -1.95 -2.84 116.57 123.85 2k49 h LYS 36 Ca -0.27 -0.21 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 2k49 h LYS 36 Cb 1.19 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 2k49 h LYS 36 CO 0.31 0.77 -0.01 1.03 -2.27 0.00 0.00 179.45 179.29 2k49 h SER 37 N 0.66 -0.25 -0.53 4.20 0.87 -1.99 0.96 113.55 117.46 2k49 h SER 37 Ca 0.12 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2k49 h SER 37 Cb 0.51 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2k49 h SER 37 CO 0.03 -0.09 0.10 1.23 -0.53 0.00 0.00 176.83 177.56 2k49 h GLY 38 N 0.11 0.98 0.70 5.77 0.00 -1.93 -0.43 103.07 108.28 2k49 h GLY 38 Ca 0.27 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2k49 h GLY 38 CO -0.46 0.57 -0.14 0.00 0.00 0.00 0.00 176.54 176.51 2k49 h ALA 39 N 1.24 -0.40 0.05 3.60 0.00 -1.10 0.44 119.26 123.09 2k49 h ALA 39 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 39 Cb 0.37 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k49 h ALA 39 CO 0.01 -0.57 -0.03 0.52 0.00 0.00 0.00 179.25 179.18 2k49 h MET 40 N -0.70 -0.07 -0.56 0.00 2.86 -0.86 -1.14 114.93 114.46 2k49 h MET 40 Ca -0.04 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2k49 h MET 40 Cb 0.48 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2k49 h MET 40 CO 0.07 0.06 0.38 -0.97 1.06 0.00 0.00 176.91 177.51 2k49 h ASN 41 N -0.18 0.34 -0.84 1.22 -1.24 -1.16 0.10 115.58 113.82 2k49 h ASN 41 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k49 h ASN 41 Cb 0.16 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 2k49 h ASN 41 CO 0.01 0.21 0.54 1.23 -1.29 0.00 0.00 177.43 178.13 2k49 h GLY 42 N 0.38 1.20 0.85 1.57 0.00 -0.10 0.81 103.07 107.78 2k49 h GLY 42 Ca 0.26 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k49 h GLY 42 CO -0.07 0.46 0.02 -2.22 0.00 0.00 0.00 176.54 174.73 2k49 h ILE 43 N 1.15 1.14 -0.54 2.60 2.04 0.36 -0.11 117.51 124.15 2k49 h ILE 43 Ca 0.31 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2k49 h ILE 43 Cb -0.10 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2k49 h ILE 43 CO -0.06 0.12 0.33 -0.33 0.00 0.00 0.00 178.15 178.21 2k49 h GLU 44 N -0.06 0.72 -0.23 2.37 5.08 -1.17 -0.74 114.58 120.56 2k49 h GLU 44 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k49 h GLU 44 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2k49 h GLU 44 CO -0.00 0.50 0.13 1.03 -1.00 0.00 0.00 179.01 179.67 2k49 h SER 45 N 0.74 0.27 -0.98 1.42 0.87 -0.49 -2.35 113.55 113.02 2k49 h SER 45 Ca 0.20 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.80 2k49 h SER 45 Cb -0.05 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.77 2k49 h SER 45 CO -0.04 0.25 0.63 0.58 -0.53 0.00 0.00 176.83 177.72 2k49 h VAL 46 N 0.28 0.99 -0.56 2.23 2.07 0.05 0.19 116.25 121.49 2k49 h VAL 46 Ca 0.08 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2k49 h VAL 46 Cb 0.03 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 2k49 h VAL 46 CO -0.01 0.19 0.35 1.56 0.02 0.00 0.00 177.57 179.67 2k49 h GLN 47 N 1.04 0.67 -0.09 1.57 4.20 -0.80 0.63 115.11 122.33 2k49 h GLN 47 Ca 0.46 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.97 2k49 h GLN 47 Cb 0.36 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2k49 h GLN 47 CO -0.21 0.44 -0.63 1.15 -0.67 0.00 0.00 178.83 178.91 2k49 h THR 48 N 0.69 1.38 0.00 -0.54 2.02 -0.85 -3.20 112.91 112.41 2k49 h THR 48 Ca 0.22 -2.00 -0.14 0.00 0.77 0.00 0.00 66.41 65.26 2k49 h THR 48 Cb -0.00 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2k49 h THR 48 CO -0.09 0.60 -0.68 0.78 0.37 0.00 0.00 175.52 176.51 2k49 h ASN 49 N 0.24 0.00 -0.61 4.18 2.35 -0.22 -3.36 115.58 118.15 2k49 h ASN 49 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.86 2k49 h ASN 49 Cb 1.16 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.41 2k49 h ASN 49 CO 0.10 0.68 -0.16 -1.28 -1.65 0.00 0.00 177.43 175.12 2k49 h SER 50 N 0.00 -0.61 1.34 5.81 0.87 0.27 0.82 113.55 122.05 2k49 h SER 50 Ca -0.01 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2k49 h SER 50 Cb 1.32 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2k49 h SER 50 CO 0.09 -0.21 0.00 1.55 -0.53 0.00 0.00 176.83 177.73 2k49 h PRO 51 N -0.01 0.00 -3.80 2.24 0.13 -1.75 -3.41 132.00 125.39 2k49 h PRO 51 Ca 0.29 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.64 2k49 h PRO 51 Cb 0.46 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.32 2k49 h PRO 51 CO -0.63 0.00 0.07 0.42 -0.23 0.00 0.00 178.00 177.62 2k49 s ILE 52 N -3.18 5.45 0.54 -3.56 1.01 0.28 -4.91 121.20 116.83 2k49 s ILE 52 Ca 0.08 -2.55 0.22 0.00 0.00 0.00 0.00 60.65 58.40 2k49 s ILE 52 Cb 0.11 -4.38 0.30 0.00 0.01 0.00 0.00 42.46 38.50 2k49 s ILE 52 CO 0.56 -1.02 2.18 -0.33 0.00 0.00 0.00 174.94 176.32 2k49 h GLU 53 N 7.67 0.00 0.00 2.79 5.08 -1.80 -2.48 114.58 125.84 2k49 h GLU 53 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2k49 h GLU 53 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2k49 h GLU 53 CO 0.75 0.02 0.08 0.00 -1.00 0.00 0.00 179.01 178.87 2k49 n ALA 54 N -2.44 0.85 1.16 3.43 0.00 -1.26 -1.31 120.51 120.94 2k49 n ALA 54 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2k49 n ALA 54 Cb 0.10 -0.82 0.28 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.38 0.73 -1.62 0.00 5.12 -0.94 -4.97 116.66 113.59 2k49 n ARG 55 Ca 0.00 -0.47 -0.29 0.00 -1.93 0.00 0.00 57.85 55.16 2k49 n ARG 55 Cb 0.08 -1.49 0.14 0.00 -1.16 0.00 0.00 32.46 30.04 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 -2.60 2.29 -0.29 -1.55 -0.85 -0.43 -1.40 117.35 112.53 2k49 s TYR 56 Ca 0.21 0.73 -0.00 0.00 -0.52 0.00 0.00 57.07 57.48 2k49 s TYR 56 Cb 0.19 -3.52 0.14 0.00 0.38 0.00 0.00 41.96 39.14 2k49 s TYR 56 CO 0.57 -2.43 0.29 0.00 -1.52 0.00 0.00 175.55 172.46 2k49 s ALA 57 N -3.40 -0.44 -0.23 9.51 0.00 0.91 -4.76 121.76 123.35 2k49 s ALA 57 Ca 0.66 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2k49 s ALA 57 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2k49 s ALA 57 CO 0.53 -1.72 0.36 0.15 0.00 0.00 0.00 175.76 175.08 2k49 s LYS 58 N 2.35 4.10 0.07 0.00 1.02 -1.26 -0.21 119.74 125.81 2k49 s LYS 58 Ca 0.09 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.21 2k49 s LYS 58 Cb -0.14 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 2k49 s LYS 58 CO -0.33 -0.12 -0.10 -2.00 -0.92 0.00 0.00 175.35 171.88 2k49 s GLU 59 N 1.58 0.73 -0.13 1.68 2.56 -0.48 -5.00 118.70 119.64 2k49 s GLU 59 Ca 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 54.97 54.13 2k49 s GLU 59 Cb -0.15 -0.49 0.04 0.00 2.00 0.00 0.00 34.13 35.53 2k49 s GLU 59 CO 0.08 0.08 -0.04 0.08 -0.56 0.00 0.00 175.26 174.91 2k49 s VAL 60 N -1.94 0.85 0.75 3.70 1.01 -1.26 -1.02 120.40 122.49 2k49 s VAL 60 Ca -0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 2k49 s VAL 60 Cb -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.35 2k49 s VAL 60 CO 0.00 0.18 1.22 0.00 0.00 0.00 0.00 175.10 176.51 2k49 s ALA 61 N 1.76 2.05 0.46 5.51 0.00 0.15 -4.78 121.76 126.91 2k49 s ALA 61 Ca 0.03 0.93 0.36 0.00 0.00 0.00 0.00 51.96 53.27 2k49 s ALA 61 Cb -0.14 -3.49 1.96 0.00 0.00 0.00 0.00 23.12 21.45 2k49 s ALA 61 CO -0.07 -2.00 2.10 1.57 0.00 0.00 0.00 175.76 177.36 2k49 h LYS 62 N -0.39 0.00 -0.88 0.00 5.09 -2.01 0.27 116.57 118.65 2k49 h LYS 62 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.21 2k49 h LYS 62 Cb 1.30 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.60 2k49 h LYS 62 CO 0.49 0.00 0.07 -1.71 -2.09 0.00 0.00 179.45 176.21 2k49 n ASN 63 N -2.83 2.98 -3.50 7.07 5.15 -1.26 -4.86 115.26 118.01 2k49 n ASN 63 Ca -0.02 -2.44 -0.24 0.00 -0.60 0.00 0.00 54.58 51.27 2k49 n ASN 63 Cb 0.13 -0.59 0.06 0.00 -0.53 0.00 0.00 39.78 38.85 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k49 n ASP 64 N 0.13 -6.19 -4.35 1.20 8.00 0.93 -4.97 116.55 111.30 2k49 n ASP 64 Ca 0.14 -0.50 -0.45 0.00 0.71 0.00 0.00 54.79 54.69 2k49 n ASP 64 Cb 0.72 -4.90 -0.06 0.00 -0.02 0.00 0.00 41.12 36.86 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 -6.21 2.99 -0.04 -1.24 1.02 -1.10 -4.89 119.74 110.26 2k49 s LYS 65 Ca 0.53 -1.55 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 2k49 s LYS 65 Cb -0.24 -4.23 -0.02 0.00 -0.52 0.00 0.00 37.83 32.82 2k49 s LYS 65 CO 0.66 -1.21 0.99 -1.25 -0.92 0.00 0.00 175.35 173.62 2k49 s PRO 66 N 1.65 4.50 0.29 -1.68 0.04 -1.25 -0.67 135.00 137.88 2k49 s PRO 66 Ca 0.04 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2k49 s PRO 66 Cb -0.27 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 30.79 2k49 s PRO 66 CO 0.05 -0.15 0.45 2.48 0.04 0.00 0.00 177.00 179.86 2k49 n TYR 67 N 4.34 -1.45 -3.59 0.56 4.11 -0.19 -1.02 117.16 119.92 2k49 n TYR 67 Ca 0.07 -1.80 -0.16 0.00 -0.00 0.00 0.00 57.90 56.00 2k49 n TYR 67 Cb 0.50 0.51 -0.07 0.00 -0.00 0.00 0.00 39.34 40.29 2k49 n TYR 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 2k49 s PHE 68 N -3.39 -0.56 0.26 -3.48 -0.71 -1.26 -1.38 117.98 107.46 2k49 s PHE 68 Ca 0.21 1.02 0.10 0.00 -1.04 0.00 0.00 56.93 57.21 2k49 s PHE 68 Cb -0.02 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 2k49 s PHE 68 CO 0.15 -0.53 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.67 2k49 s ASN 69 N -1.03 4.42 -0.11 1.98 -0.87 0.70 -0.85 114.94 119.18 2k49 s ASN 69 Ca -0.10 -0.68 0.04 0.00 -1.57 0.00 0.00 52.86 50.55 2k49 s ASN 69 Cb -0.02 -0.78 0.00 0.00 -0.02 0.00 0.00 41.25 40.44 2k49 s ASN 69 CO 0.08 0.02 -0.23 -0.22 -2.57 0.00 0.00 177.10 174.17 2k49 s LEU 70 N -3.57 2.08 0.01 0.60 2.96 0.09 -0.06 118.68 120.78 2k49 s LEU 70 Ca 0.31 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2k49 s LEU 70 Cb -0.06 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 2k49 s LEU 70 CO 0.19 0.13 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.70 2k49 s LYS 71 N 0.48 2.36 0.94 1.98 1.02 -0.49 -1.45 119.74 124.58 2k49 s LYS 71 Ca -0.16 -0.82 -0.15 0.00 0.02 0.00 0.00 55.97 54.86 2k49 s LYS 71 Cb -0.17 -2.37 0.19 0.00 -0.52 0.00 0.00 37.83 34.96 2k49 s LYS 71 CO 0.06 0.58 1.30 0.00 -0.92 0.00 0.00 175.35 176.37 2k49 s ALA 72 N -0.94 2.33 0.30 5.17 0.00 -0.74 -4.74 121.76 123.14 2k49 s ALA 72 Ca 0.16 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.96 2k49 s ALA 72 Cb -0.11 -2.76 0.60 0.00 0.00 0.00 0.00 23.12 20.85 2k49 s ALA 72 CO 0.06 -2.34 1.85 0.00 0.00 0.00 0.00 175.76 175.33 2k49 h ALA 73 N -1.55 1.58 0.00 0.00 0.00 -1.97 0.11 119.26 117.42 2k49 h ALA 73 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k49 h ALA 73 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k49 h ALA 73 CO 0.40 0.18 0.00 -1.71 0.00 0.00 0.00 179.25 178.13 2k49 n ASN 74 N -4.60 0.17 -0.82 0.00 5.15 -1.26 -4.84 115.26 109.05 2k49 n ASN 74 Ca 0.18 -1.89 -0.09 0.00 -0.60 0.00 0.00 54.58 52.19 2k49 n ASN 74 Cb 0.37 -0.08 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 2k49 n ASN 74 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2k49 n HIS 75 N -0.41 -0.20 -3.29 1.20 -0.00 0.38 -5.01 115.22 107.90 2k49 n HIS 75 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2k49 n HIS 75 Cb 0.04 -1.98 -0.04 0.00 -0.00 0.00 0.00 29.99 28.01 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2k49 s GLN 76 N -3.56 3.74 -0.68 1.57 -2.07 -1.25 -4.84 119.66 112.57 2k49 s GLN 76 Ca 0.00 0.21 -0.24 0.00 -1.82 0.00 0.00 55.36 53.51 2k49 s GLN 76 Cb 0.00 -2.60 0.06 0.00 -1.09 0.00 0.00 33.01 29.38 2k49 s GLN 76 CO 0.00 0.21 1.07 0.42 -1.32 0.00 0.00 175.29 175.67 2k49 s ILE 77 N -2.02 4.13 -0.13 3.63 -1.09 -1.26 -1.78 121.20 122.67 2k49 s ILE 77 Ca 0.47 -0.06 0.17 0.00 -2.23 0.00 0.00 60.65 59.00 2k49 s ILE 77 Cb -0.11 -4.75 -0.23 0.00 -1.58 0.00 0.00 42.46 35.78 2k49 s ILE 77 CO 0.26 -1.57 0.40 2.30 -1.23 0.00 0.00 174.94 175.10 2k49 n ILE 78 N 6.10 1.23 -4.03 2.92 -5.35 -0.53 -4.93 119.36 114.77 2k49 n ILE 78 Ca -0.01 -0.77 -0.11 0.00 -0.27 0.00 0.00 62.75 61.59 2k49 n ILE 78 Cb 0.47 -0.59 -0.11 0.00 -1.74 0.00 0.00 39.64 37.67 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -5.15 0.40 -0.10 3.28 0.00 -0.92 -4.73 107.32 100.09 2k49 s GLY 79 Ca -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 2k49 s GLY 79 CO 0.83 -0.82 0.23 -1.59 0.00 0.00 0.00 173.10 171.75 2k49 s THR 80 N -1.75 -0.18 0.46 0.90 2.01 -1.23 -0.74 115.64 115.11 2k49 s THR 80 Ca -0.10 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 2k49 s THR 80 Cb -0.08 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2k49 s THR 80 CO -0.01 0.09 0.72 -0.55 -0.69 0.00 0.00 174.62 174.18 2k49 s SER 81 N 1.74 5.99 -0.02 3.53 0.15 -0.03 -0.03 113.70 125.03 2k49 s SER 81 Ca -0.04 0.56 -0.18 0.00 0.70 0.00 0.00 55.95 56.99 2k49 s SER 81 Cb -0.11 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 2k49 s SER 81 CO -0.08 -0.66 0.49 -1.10 1.20 0.00 0.00 173.24 173.09 2k49 s GLN 82 N -4.64 4.16 -0.46 5.44 1.11 -1.25 -4.62 119.66 119.41 2k49 s GLN 82 Ca 0.47 0.54 -0.44 0.00 0.01 0.00 0.00 55.36 55.94 2k49 s GLN 82 Cb -0.10 -3.31 -0.18 0.00 -1.01 0.00 0.00 33.01 28.41 2k49 s GLN 82 CO 0.41 0.48 1.82 0.00 0.01 0.00 0.00 175.29 178.00 2k49 n MET 83 N 2.47 0.25 -2.38 2.91 0.00 -1.26 -4.83 117.12 114.28 2k49 n MET 83 Ca -0.10 0.08 -0.24 0.00 0.00 0.00 0.00 57.70 57.44 2k49 n MET 83 Cb 0.52 -1.66 0.06 0.00 0.00 0.00 0.00 33.22 32.14 2k49 n MET 83 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2k49 s TYR 84 N 4.25 2.78 -0.12 3.17 2.02 -0.19 -4.98 117.35 124.28 2k49 s TYR 84 Ca 1.09 0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 57.95 2k49 s TYR 84 Cb -1.39 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 37.10 2k49 s TYR 84 CO 0.73 -1.26 -0.07 0.66 -1.57 0.00 0.00 175.55 174.03 2k49 h SER 85 N -0.37 0.00 -2.29 2.29 4.64 -1.93 -3.34 113.55 112.55 2k49 h SER 85 Ca -0.43 -0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.38 2k49 h SER 85 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2k49 h SER 85 CO 0.55 0.66 -0.46 -0.94 -0.87 0.00 0.00 176.83 175.77 2k49 s SER 86 N -5.68 6.14 0.19 4.97 1.04 -1.26 -4.75 113.70 114.35 2k49 s SER 86 Ca -0.08 0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 2k49 s SER 86 Cb 0.01 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 64.47 2k49 s SER 86 CO 0.13 -0.03 1.76 0.71 0.98 0.00 0.00 173.24 176.79 2k49 h THR 87 N 1.36 1.23 -0.91 2.02 1.35 -1.93 -2.70 112.91 113.34 2k49 h THR 87 Ca -0.50 -0.70 0.07 0.00 -0.55 0.00 0.00 66.41 64.73 2k49 h THR 87 Cb 1.22 0.45 -0.06 0.00 -1.73 0.00 0.00 68.15 68.03 2k49 h THR 87 CO 0.62 0.28 0.57 0.00 -0.25 0.00 0.00 175.52 176.75 2k49 h ALA 88 N 1.13 1.26 -0.84 6.62 0.00 -1.99 -1.54 119.26 123.91 2k49 h ALA 88 Ca 0.23 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2k49 h ALA 88 Cb 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2k49 h ALA 88 CO -0.02 0.32 0.48 0.00 0.00 0.00 0.00 179.25 180.02 2k49 h ALA 89 N 1.43 1.20 0.52 0.00 0.00 -1.89 0.60 119.26 121.12 2k49 h ALA 89 Ca 0.40 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2k49 h ALA 89 Cb 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k49 h ALA 89 CO -0.18 0.09 -0.25 -0.09 0.00 0.00 0.00 179.25 178.82 2k49 h ARG 90 N 0.79 -0.67 -0.22 0.00 2.43 -1.15 0.19 114.38 115.74 2k49 h ARG 90 Ca 0.41 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.52 2k49 h ARG 90 Cb 0.40 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2k49 h ARG 90 CO -0.26 -0.39 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.07 2k49 h ASP 91 N -0.82 0.45 -0.39 -3.80 5.19 -1.23 0.27 116.42 116.10 2k49 h ASP 91 Ca -0.07 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.07 2k49 h ASP 91 Cb 0.58 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2k49 h ASP 91 CO 0.12 0.73 -0.16 0.78 -3.12 0.00 0.00 179.24 177.58 2k49 h ASN 92 N 0.38 0.87 -0.33 6.45 2.35 -0.91 -2.27 115.58 122.11 2k49 h ASN 92 Ca 0.05 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2k49 h ASN 92 Cb 0.71 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2k49 h ASN 92 CO 0.05 1.02 0.09 1.23 -1.65 0.00 0.00 177.43 178.17 2k49 h GLY 93 N 0.95 0.40 0.42 2.83 0.00 -0.16 -2.34 103.07 105.17 2k49 h GLY 93 Ca 0.11 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.51 2k49 h GLY 93 CO 0.05 0.00 0.37 -2.22 0.00 0.00 0.00 176.54 174.74 2k49 h ILE 94 N 0.22 0.82 -0.70 2.60 2.04 -0.76 0.19 117.51 121.91 2k49 h ILE 94 Ca 0.15 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2k49 h ILE 94 Cb 0.15 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 2k49 h ILE 94 CO -0.18 0.11 0.42 0.11 0.00 0.00 0.00 178.15 178.61 2k49 h LYS 95 N 0.60 0.77 -0.37 2.37 1.57 -1.07 0.07 116.57 120.51 2k49 h LYS 95 Ca 0.37 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2k49 h LYS 95 Cb 0.42 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2k49 h LYS 95 CO -0.29 0.51 0.16 0.77 -0.57 0.00 0.00 179.45 180.02 2k49 h SER 96 N 0.79 0.50 -0.55 0.86 0.02 -0.69 -2.42 113.55 112.06 2k49 h SER 96 Ca 0.30 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2k49 h SER 96 Cb 0.11 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 2k49 h SER 96 CO -0.15 0.52 0.24 0.58 -1.14 0.00 0.00 176.83 176.88 2k49 h VAL 97 N 0.45 0.87 -0.85 2.27 2.07 0.02 0.37 116.25 121.45 2k49 h VAL 97 Ca 0.12 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2k49 h VAL 97 Cb 0.17 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2k49 h VAL 97 CO -0.01 0.08 0.41 0.24 0.02 0.00 0.00 177.57 178.32 2k49 h MET 98 N 0.45 1.22 0.13 1.57 2.07 -0.93 0.51 114.93 119.95 2k49 h MET 98 Ca 0.26 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 2k49 h MET 98 Cb 0.25 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 2k49 h MET 98 CO -0.23 0.94 -0.06 1.49 1.07 0.00 0.00 176.91 180.12 2k49 h GLU 99 N 1.21 -0.16 0.00 1.72 4.81 -0.79 -3.37 114.58 118.00 2k49 h GLU 99 Ca 0.29 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.28 2k49 h GLU 99 Cb 0.11 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 2k49 h GLU 99 CO -0.04 0.17 -1.73 0.27 -0.73 0.00 0.00 179.01 176.95 2k49 n ASN 100 N -5.01 0.71 0.18 1.04 0.23 0.03 -4.08 115.26 108.36 2k49 n ASN 100 Ca -0.09 0.33 0.10 0.00 -0.53 0.00 0.00 54.58 54.40 2k49 n ASN 100 Cb 0.22 0.22 0.55 0.00 -2.08 0.00 0.00 39.78 38.69 2k49 n ASN 100 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2k49 h GLY 101 N 3.66 0.00 -3.17 4.83 0.00 -0.13 0.59 103.07 108.86 2k49 h GLY 101 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2k49 h GLY 101 CO 0.06 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.18 2k49 n LYS 102 N -2.25 3.98 -2.26 4.80 2.85 -1.26 -3.94 118.16 120.08 2k49 n LYS 102 Ca -0.01 -2.89 -0.30 0.00 -1.05 0.00 0.00 58.31 54.06 2k49 n LYS 102 Cb 0.13 -1.98 -0.00 0.00 -0.65 0.00 0.00 35.03 32.53 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 -2.06 4.77 -1.67 0.58 -1.32 0.20 -5.00 115.64 111.14 2k49 s THR 103 Ca 0.51 0.66 0.20 0.00 -1.21 0.00 0.00 61.69 61.86 2k49 s THR 103 Cb 0.35 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 2k49 s THR 103 CO 0.22 -0.95 0.98 0.35 -2.21 0.00 0.00 174.62 173.01 2k49 n THR 104 N -2.35 0.00 -2.14 5.08 -2.24 -1.26 -4.89 114.28 106.48 2k49 n THR 104 Ca 0.04 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 2k49 n THR 104 Cb 0.54 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 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 -2.42 3.43 -0.15 4.28 2.01 -1.26 -4.96 115.64 116.57 2k49 s THR 105 Ca 0.15 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.35 2k49 s THR 105 Cb 0.16 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2k49 s THR 105 CO 0.58 -1.09 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.60 2k49 s ILE 106 N 8.50 1.88 -0.23 1.82 1.01 -1.26 -1.15 121.20 131.77 2k49 s ILE 106 Ca 0.61 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 2k49 s ILE 106 Cb -0.11 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2k49 s ILE 106 CO 0.18 0.51 0.11 -0.54 0.00 0.00 0.00 174.94 175.20 2k49 s LYS 107 N 1.13 3.90 -0.24 2.79 1.02 0.31 -5.00 119.74 123.66 2k49 s LYS 107 Ca -0.01 -0.36 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 2k49 s LYS 107 Cb -0.14 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2k49 s LYS 107 CO -0.07 0.02 0.58 0.34 -0.92 0.00 0.00 175.35 175.30 2k49 s ASP 108 N 1.09 6.55 -0.10 2.83 -1.08 -1.26 -0.60 116.67 124.10 2k49 s ASP 108 Ca 0.05 0.67 0.14 0.00 -0.52 0.00 0.00 52.55 52.89 2k49 s ASP 108 Cb -0.14 -2.32 0.36 0.00 -1.46 0.00 0.00 42.92 39.36 2k49 s ASP 108 CO 0.04 -0.30 1.27 0.18 0.52 0.00 0.00 175.17 176.88 2k49 n LEU 109 N 5.42 3.10 -0.12 -1.34 4.77 0.88 -4.62 117.00 125.09 2k49 n LEU 109 Ca -0.02 -2.66 -0.26 0.00 -0.03 0.00 0.00 56.01 53.04 2k49 n LEU 109 Cb 0.49 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2k49 n LEU 109 CO 0.42 0.67 -1.01 0.35 -1.33 0.00 0.00 177.39 176.49 2k49 n THR 110 N -0.46 1.54 -0.03 -5.08 -2.24 -1.25 -4.22 114.28 102.55 2k49 n THR 110 Ca 0.15 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 2k49 n THR 110 Cb 0.65 -1.94 -0.09 0.00 -2.10 0.00 0.00 70.33 66.84 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 -0.95 0.10 -9.84 3.22 3.38 -1.94 -3.44 115.31 105.84 2k49 h LEU 111 Ca -0.53 -0.51 -0.52 0.00 0.09 0.00 0.00 57.88 56.41 2k49 h LEU 111 Cb 1.49 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2k49 h LEU 111 CO -0.31 0.59 0.12 -0.70 0.09 0.00 0.00 178.44 178.23 2k49 s GLU 112 N -4.19 4.29 -1.30 1.13 -6.30 -1.26 -4.97 118.70 106.10 2k49 s GLU 112 Ca -0.16 0.91 -0.14 0.00 -2.50 0.00 0.00 54.97 53.09 2k49 s GLU 112 Cb 0.02 -2.91 -0.04 0.00 0.00 0.00 0.00 34.13 31.20 2k49 s GLU 112 CO 0.70 0.41 2.33 1.58 0.02 0.00 0.00 175.26 180.30 2k49 n HIS 113 N 0.80 2.69 -3.19 5.30 -0.00 -1.26 -4.69 115.22 114.87 2k49 n HIS 113 Ca -0.02 -2.66 -0.31 0.00 -0.00 0.00 0.00 57.72 54.73 2k49 n HIS 113 Cb 0.51 -2.28 -0.05 0.00 -0.00 0.00 0.00 29.99 28.17 2k49 n HIS 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k49 n HIS 114 N 5.54 3.44 -2.31 1.57 8.25 -1.26 -5.02 115.22 125.42 2k49 n HIS 114 Ca 0.57 -3.73 -0.34 0.00 -0.26 0.00 0.00 57.72 53.96 2k49 n HIS 114 Cb 0.32 -0.71 -0.04 0.00 1.12 0.00 0.00 29.99 30.68 2k49 n HIS 114 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k49 s HIS 115 N -2.89 2.20 -0.02 4.41 2.46 -1.26 -4.82 115.29 115.37 2k49 s HIS 115 Ca 0.40 -0.19 -0.25 0.00 0.47 0.00 0.00 55.06 55.50 2k49 s HIS 115 Cb 0.16 -4.38 -0.20 0.00 -0.13 0.00 0.00 32.58 28.03 2k49 s HIS 115 CO -0.03 -1.80 1.21 1.25 -2.47 0.00 0.00 174.74 172.90 2k49 h HIS 116 N 10.28 0.11 -2.03 3.88 2.76 -1.95 -3.47 115.15 124.73 2k49 h HIS 116 Ca 0.17 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2k49 h HIS 116 Cb 0.99 -0.02 -0.20 0.00 1.55 0.00 0.00 27.41 29.73 2k49 h HIS 116 CO 1.26 0.64 0.14 -1.58 -1.30 0.00 0.00 177.93 177.09 2k49 s HIS 117 N -3.95 -0.73 -2.61 5.26 2.46 -1.26 -5.27 115.29 109.19 2k49 s HIS 117 Ca -0.16 1.58 0.27 0.00 0.47 0.00 0.00 55.06 57.23 2k49 s HIS 117 Cb 0.02 0.32 0.87 0.00 -0.13 0.00 0.00 32.58 33.65 2k49 s HIS 117 CO 0.70 -0.47 1.64 -2.39 -2.47 0.00 0.00 174.74 171.75