#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b33 n LYS 2 N 0.00 0.00 -3.44 3.17 4.76 -1.25 -4.96 118.16 116.44 2b33 n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2b33 n LYS 2 Cb 0.00 -0.09 -0.02 0.00 -1.84 0.00 0.00 35.03 33.07 2b33 n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2b33 s ARG 3 N -1.35 1.25 0.15 1.97 0.52 0.10 -5.04 118.95 116.56 2b33 s ARG 3 Ca 0.00 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 2b33 s ARG 3 Cb 0.00 0.58 -0.04 0.00 0.52 0.00 0.00 34.95 36.01 2b33 s ARG 3 CO 0.00 -0.54 0.01 -0.06 0.02 0.00 0.00 175.30 174.73 2b33 s PHE 4 N -3.63 2.90 -0.20 -0.53 0.40 -1.26 0.85 117.98 116.50 2b33 s PHE 4 Ca 0.01 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 2b33 s PHE 4 Cb -0.01 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 2b33 s PHE 4 CO -0.12 0.50 -0.01 0.08 0.70 0.00 0.00 175.22 176.37 2b33 s VAL 5 N -1.60 3.81 -0.13 -0.44 1.01 -0.85 -4.91 120.40 117.29 2b33 s VAL 5 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2b33 s VAL 5 Cb -0.10 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2b33 s VAL 5 CO 0.19 0.43 -0.06 -1.61 0.00 0.00 0.00 175.10 174.04 2b33 s GLU 6 N 1.08 1.46 0.00 2.72 2.02 -1.26 -3.76 118.70 120.97 2b33 s GLU 6 Ca 0.02 -0.35 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 2b33 s GLU 6 Cb -0.14 -1.75 -0.00 0.00 0.10 0.00 0.00 34.13 32.33 2b33 s GLU 6 CO 0.01 -0.34 -0.00 -0.08 0.02 0.00 0.00 175.26 174.87 2b33 s THR 7 N 1.69 0.03 -1.25 3.63 -1.32 -1.26 -5.03 115.64 112.12 2b33 s THR 7 Ca 0.03 -0.24 0.27 0.00 -1.21 0.00 0.00 61.69 60.54 2b33 s THR 7 Cb -0.14 -0.08 0.37 0.00 -1.51 0.00 0.00 72.50 71.14 2b33 s THR 7 CO -0.08 -0.13 1.89 -0.90 -2.21 0.00 0.00 174.62 173.19 2b33 n ASP 8 N 2.69 0.00 -0.06 8.08 5.75 -1.26 -3.39 116.55 128.36 2b33 n ASP 8 Ca -0.15 0.14 0.14 0.00 -0.01 0.00 0.00 54.79 54.91 2b33 n ASP 8 Cb 0.59 -0.37 0.61 0.00 -1.03 0.00 0.00 41.12 40.91 2b33 n ASP 8 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2b33 n LYS 9 N -1.37 0.44 -4.24 0.11 5.02 -1.26 -4.67 118.16 112.19 2b33 n LYS 9 Ca 0.10 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 2b33 n LYS 9 Cb 0.25 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 2b33 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b33 s ALA 10 N -2.64 1.42 0.38 7.82 0.00 -1.22 -4.75 121.76 122.78 2b33 s ALA 10 Ca 0.24 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2b33 s ALA 10 Cb 0.20 -0.00 -0.11 0.00 0.00 0.00 0.00 23.12 23.20 2b33 s ALA 10 CO 0.50 -0.01 1.31 -2.30 0.00 0.00 0.00 175.76 175.26 2b33 n PRO 11 N 0.19 2.11 -2.02 0.00 -0.02 -1.26 -4.82 135.00 129.17 2b33 n PRO 11 Ca -0.13 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2b33 n PRO 11 Cb 0.59 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2b33 n PRO 11 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2b33 s LYS 12 N -2.07 4.26 -0.74 -0.52 0.00 -1.26 -4.92 119.74 114.49 2b33 s LYS 12 Ca 0.58 2.26 -0.26 0.00 0.00 0.00 0.00 55.97 58.55 2b33 s LYS 12 Cb -0.53 -3.17 0.00 0.00 0.00 0.00 0.00 37.83 34.14 2b33 s LYS 12 CO 0.60 -0.51 1.60 0.00 0.00 0.00 0.00 175.35 177.05 2b33 s ALA 13 N 0.82 2.39 -0.02 0.59 0.00 -1.26 -4.86 121.76 119.42 2b33 s ALA 13 Ca 0.66 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2b33 s ALA 13 Cb -0.41 -4.34 -0.18 0.00 0.00 0.00 0.00 23.12 18.18 2b33 s ALA 13 CO 0.34 -3.75 1.14 0.82 0.00 0.00 0.00 175.76 174.31 2b33 h ILE 14 N 6.60 1.07 -0.38 0.00 2.04 -1.91 -3.46 117.51 121.47 2b33 h ILE 14 Ca -0.17 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2b33 h ILE 14 Cb 1.08 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2b33 h ILE 14 CO 1.27 0.23 0.00 0.61 0.00 0.00 0.00 178.15 180.26 2b33 n GLY 15 N 0.22 -0.37 2.08 5.37 0.00 -1.26 -4.89 105.19 106.35 2b33 n GLY 15 Ca -0.08 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 2b33 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b33 n PRO 16 N 0.00 2.37 -3.89 1.61 -0.04 -1.26 -4.84 135.00 128.95 2b33 n PRO 16 Ca 0.00 -1.31 -0.09 0.00 -0.04 0.00 0.00 63.50 62.06 2b33 n PRO 16 Cb 0.00 -2.17 -0.05 0.00 -0.04 0.00 0.00 33.50 31.24 2b33 n PRO 16 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2b33 s TYR 17 N 1.10 0.19 0.22 0.54 1.13 -1.26 -5.18 117.35 114.08 2b33 s TYR 17 Ca 0.67 -0.54 0.10 0.00 -1.41 0.00 0.00 57.07 55.89 2b33 s TYR 17 Cb 0.29 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 2b33 s TYR 17 CO -0.02 -0.88 -0.10 -1.12 -2.51 0.00 0.00 175.55 170.91 2b33 s SER 18 N -2.95 4.13 0.23 -0.18 0.01 -1.26 -4.75 113.70 108.93 2b33 s SER 18 Ca 0.16 -0.71 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 2b33 s SER 18 Cb 0.00 -0.63 0.20 0.00 0.21 0.00 0.00 66.02 65.80 2b33 s SER 18 CO 0.02 0.06 1.90 1.56 0.41 0.00 0.00 173.24 177.19 2b33 h GLN 19 N 2.53 1.13 -3.22 12.44 4.20 -1.93 -3.41 115.11 126.85 2b33 h GLN 19 Ca -0.45 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2b33 h GLN 19 Cb 1.23 -0.26 -0.09 0.00 0.30 0.00 0.00 27.48 28.66 2b33 h GLN 19 CO 0.56 0.75 0.09 0.00 -0.67 0.00 0.00 178.83 179.57 2b33 s ALA 20 N -6.13 -1.03 -0.06 3.87 0.00 -1.25 -0.43 121.76 116.72 2b33 s ALA 20 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2b33 s ALA 20 Cb 0.16 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.18 2b33 s ALA 20 CO 0.80 -0.87 -0.04 0.08 0.00 0.00 0.00 175.76 175.73 2b33 s VAL 21 N -3.88 0.60 -0.22 0.00 1.01 -0.85 -2.01 120.40 115.05 2b33 s VAL 21 Ca 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2b33 s VAL 21 Cb -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2b33 s VAL 21 CO -0.00 0.26 0.07 -0.69 0.00 0.00 0.00 175.10 174.74 2b33 s VAL 22 N 1.30 4.51 -0.16 2.92 1.01 0.25 -1.36 120.40 128.87 2b33 s VAL 22 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2b33 s VAL 22 Cb -0.14 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.20 2b33 s VAL 22 CO -0.02 0.38 -0.04 0.54 0.00 0.00 0.00 175.10 175.96 2b33 s VAL 23 N 1.16 0.99 0.00 2.92 0.11 0.00 -0.72 120.40 124.86 2b33 s VAL 23 Ca 0.04 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2b33 s VAL 23 Cb -0.14 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2b33 s VAL 23 CO 0.03 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 2b33 n GLY 24 N 4.92 3.41 1.11 6.54 0.00 -1.26 -1.52 105.19 118.38 2b33 n GLY 24 Ca -0.11 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.91 2b33 n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2b33 n ASN 25 N 7.25 3.24 -4.62 1.61 6.94 -1.26 -4.95 115.26 123.46 2b33 n ASN 25 Ca 0.00 -1.98 -0.33 0.00 -0.02 0.00 0.00 54.58 52.25 2b33 n ASN 25 Cb 0.00 -0.37 -0.10 0.00 -2.36 0.00 0.00 39.78 36.95 2b33 n ASN 25 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2b33 s MET 26 N -1.26 2.70 -0.05 -3.83 -1.94 -0.58 -1.84 119.30 112.50 2b33 s MET 26 Ca 0.41 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 2b33 s MET 26 Cb 0.22 -2.59 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 2b33 s MET 26 CO 0.29 0.63 -0.19 1.41 -0.01 0.00 0.00 175.02 177.15 2b33 s MET 27 N -1.26 2.02 -0.33 2.03 1.75 0.22 -0.82 119.30 122.91 2b33 s MET 27 Ca 0.16 -0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 53.90 2b33 s MET 27 Cb -0.11 -1.72 0.07 0.00 2.84 0.00 0.00 34.83 35.90 2b33 s MET 27 CO 0.06 0.27 0.05 -0.06 -0.65 0.00 0.00 175.02 174.69 2b33 s PHE 28 N 0.02 3.36 -0.00 4.11 0.40 -0.47 -0.85 117.98 124.56 2b33 s PHE 28 Ca -0.05 -2.03 -0.16 0.00 -0.60 0.00 0.00 56.93 54.09 2b33 s PHE 28 Cb -0.12 -2.41 -0.06 0.00 0.51 0.00 0.00 43.02 40.94 2b33 s PHE 28 CO 0.03 -0.85 0.45 0.08 0.70 0.00 0.00 175.22 175.64 2b33 s VAL 29 N 1.22 4.99 0.56 -0.44 1.01 -0.17 -2.00 120.40 125.57 2b33 s VAL 29 Ca -0.01 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 2b33 s VAL 29 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2b33 s VAL 29 CO -0.02 0.53 1.09 -0.44 0.00 0.00 0.00 175.10 176.26 2b33 s SER 30 N -0.79 5.79 0.10 3.32 0.01 0.42 -3.34 113.70 119.21 2b33 s SER 30 Ca 0.25 2.02 -0.31 0.00 1.31 0.00 0.00 55.95 59.22 2b33 s SER 30 Cb -0.17 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 2b33 s SER 30 CO 0.14 -1.17 1.87 -0.83 0.41 0.00 0.00 173.24 173.67 2b33 s GLY 31 N -2.15 1.36 -0.11 3.44 0.00 -1.26 -4.61 107.32 103.99 2b33 s GLY 31 Ca 0.69 1.43 -0.09 0.00 0.00 0.00 0.00 44.72 46.74 2b33 s GLY 31 CO 0.29 3.25 0.20 1.20 0.00 0.00 0.00 173.10 178.04 2b33 s GLN 32 N 3.20 3.69 0.28 2.90 -1.52 0.15 -4.84 119.66 123.53 2b33 s GLN 32 Ca 0.83 -0.02 0.10 0.00 -1.95 0.00 0.00 55.36 54.32 2b33 s GLN 32 Cb -0.45 -3.24 -0.05 0.00 -0.22 0.00 0.00 33.01 29.05 2b33 s GLN 32 CO 0.38 0.66 -0.07 0.96 -0.25 0.00 0.00 175.29 176.97 2b33 s ILE 33 N -0.75 2.97 -0.95 1.08 -4.36 -1.26 -1.87 121.20 116.06 2b33 s ILE 33 Ca 0.16 -2.10 -0.22 0.00 -0.26 0.00 0.00 60.65 58.23 2b33 s ILE 33 Cb -0.13 -2.65 -0.12 0.00 1.25 0.00 0.00 42.46 40.81 2b33 s ILE 33 CO 0.05 -0.35 1.93 -0.81 0.24 0.00 0.00 174.94 175.99 2b33 n PRO 34 N -0.81 1.61 -5.23 0.37 -0.04 -1.26 -4.48 135.00 125.16 2b33 n PRO 34 Ca -0.06 -2.13 -0.32 0.00 -0.04 0.00 0.00 63.50 60.96 2b33 n PRO 34 Cb 0.60 -3.23 -0.16 0.00 -0.04 0.00 0.00 33.50 30.67 2b33 n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2b33 s ILE 35 N 7.12 2.18 -0.19 0.52 1.01 -1.26 -1.18 121.20 129.40 2b33 s ILE 35 Ca 0.61 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 2b33 s ILE 35 Cb 0.09 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2b33 s ILE 35 CO 0.12 0.57 1.00 -0.62 0.00 0.00 0.00 174.94 176.01 2b33 s ASP 36 N -0.31 7.11 0.56 3.58 -1.08 -0.54 -4.73 116.67 121.25 2b33 s ASP 36 Ca 0.01 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 53.67 2b33 s ASP 36 Cb -0.13 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.33 2b33 s ASP 36 CO 0.02 -0.57 2.10 -0.65 0.52 0.00 0.00 175.17 176.59 2b33 h PRO 37 N 7.35 0.00 0.05 4.34 0.11 -1.88 0.10 132.00 142.08 2b33 h PRO 37 Ca -0.24 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.61 2b33 h PRO 37 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2b33 h PRO 37 CO 0.92 0.00 -1.40 0.93 -0.21 0.00 0.00 178.00 178.25 2b33 h GLU 38 N 0.00 0.10 0.00 1.05 3.07 -1.93 -3.40 114.58 113.47 2b33 h GLU 38 Ca 0.09 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2b33 h GLU 38 Cb 0.45 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2b33 h GLU 38 CO -0.00 1.09 -0.95 -2.37 -1.40 0.00 0.00 179.01 175.38 2b33 n THR 39 N -4.13 0.40 -0.97 1.13 5.66 -1.22 -4.98 114.28 110.17 2b33 n THR 39 Ca -0.30 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 2b33 n THR 39 Cb 0.80 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 2b33 n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b33 n GLY 40 N 1.28 0.33 3.94 1.09 0.00 0.36 -5.00 105.19 107.18 2b33 n GLY 40 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2b33 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b33 s GLU 41 N -0.78 3.45 0.08 1.61 2.02 -1.25 -4.77 118.70 119.05 2b33 s GLU 41 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 2b33 s GLU 41 Cb 0.00 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 2b33 s GLU 41 CO 0.00 0.50 1.16 -0.51 0.02 0.00 0.00 175.26 176.44 2b33 s LEU 42 N -3.27 4.39 0.09 1.80 1.43 -1.26 -1.47 118.68 120.38 2b33 s LEU 42 Ca 0.35 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 55.14 2b33 s LEU 42 Cb -0.11 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 2b33 s LEU 42 CO 0.29 -0.41 1.50 -0.69 0.23 0.00 0.00 176.35 177.27 2b33 s VAL 43 N 0.82 3.15 -0.20 -1.59 1.01 -0.32 -4.96 120.40 118.31 2b33 s VAL 43 Ca 0.56 0.73 0.01 0.00 0.00 0.00 0.00 61.98 63.29 2b33 s VAL 43 Cb -0.29 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2b33 s VAL 43 CO 0.30 0.03 -0.13 -1.58 0.00 0.00 0.00 175.10 173.72 2b33 s GLN 44 N 1.78 2.34 0.00 2.72 0.74 -1.26 -4.90 119.66 121.08 2b33 s GLN 44 Ca 0.68 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 55.16 2b33 s GLN 44 Cb -0.38 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.19 2b33 s GLN 44 CO 0.30 -0.39 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 2b33 n GLY 45 N 4.62 -0.71 3.87 2.59 0.00 -1.26 -5.10 105.19 109.20 2b33 n GLY 45 Ca -0.16 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2b33 n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b33 s THR 46 N -3.64 3.54 0.25 2.61 -4.23 -1.26 -4.92 115.64 107.99 2b33 s THR 46 Ca 0.00 0.50 0.22 0.00 -1.18 0.00 0.00 61.69 61.23 2b33 s THR 46 Cb 0.00 -3.47 0.21 0.00 1.34 0.00 0.00 72.50 70.58 2b33 s THR 46 CO 0.00 -0.65 1.88 -0.29 -0.54 0.00 0.00 174.62 175.01 2b33 h ILE 47 N -0.67 0.72 -0.37 2.99 6.09 -1.99 -2.15 117.51 122.13 2b33 h ILE 47 Ca -0.45 -1.07 -0.07 0.00 -1.37 0.00 0.00 64.86 61.91 2b33 h ILE 47 Cb 1.25 1.67 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 2b33 h ILE 47 CO 0.63 0.24 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.59 2b33 h GLU 48 N 0.00 0.67 -0.56 2.19 3.07 -1.93 -0.83 114.58 117.19 2b33 h GLU 48 Ca -0.00 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.57 2b33 h GLU 48 Cb 0.65 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 2b33 h GLU 48 CO 0.03 0.80 0.12 0.93 -1.40 0.00 0.00 179.01 179.50 2b33 h GLU 49 N 0.48 0.87 -0.28 2.33 5.08 -1.87 -0.22 114.58 120.97 2b33 h GLU 49 Ca 0.10 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2b33 h GLU 49 Cb 0.52 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2b33 h GLU 49 CO 0.03 0.79 -0.44 0.87 -1.00 0.00 0.00 179.01 179.26 2b33 h LYS 50 N 0.83 0.80 -0.40 2.33 1.57 -1.31 -2.77 116.57 117.62 2b33 h LYS 50 Ca 0.18 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2b33 h LYS 50 Cb 0.32 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2b33 h LYS 50 CO 0.00 1.11 -0.08 1.15 -0.57 0.00 0.00 179.45 181.06 2b33 h THR 51 N 0.56 1.24 -0.49 -0.16 2.02 -0.98 -1.91 112.91 113.18 2b33 h THR 51 Ca 0.03 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2b33 h THR 51 Cb 1.03 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2b33 h THR 51 CO 0.10 0.36 0.30 -0.08 0.37 0.00 0.00 175.52 176.57 2b33 h GLU 52 N 0.64 0.66 -0.19 6.66 4.81 -1.01 -0.96 114.58 125.20 2b33 h GLU 52 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2b33 h GLU 52 Cb 0.52 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2b33 h GLU 52 CO 0.03 0.48 0.05 -0.09 -0.73 0.00 0.00 179.01 178.75 2b33 h ARG 53 N 0.66 0.30 -0.28 1.92 9.65 -1.27 0.35 114.38 125.71 2b33 h ARG 53 Ca 0.18 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2b33 h ARG 53 Cb -0.01 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 2b33 h ARG 53 CO -0.03 0.42 0.04 0.28 2.80 0.00 0.00 179.97 183.48 2b33 h VAL 54 N 0.12 0.85 -0.04 0.20 2.07 -1.25 0.30 116.25 118.51 2b33 h VAL 54 Ca 0.06 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 2b33 h VAL 54 Cb 0.25 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2b33 h VAL 54 CO -0.00 0.02 -0.49 -0.07 0.02 0.00 0.00 177.57 177.06 2b33 h LEU 55 N 0.14 0.10 -0.54 2.57 3.38 -1.12 -0.84 115.31 119.00 2b33 h LEU 55 Ca 0.13 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2b33 h LEU 55 Cb 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2b33 h LEU 55 CO -0.18 0.57 -0.24 -0.33 0.09 0.00 0.00 178.44 178.34 2b33 h GLU 56 N 0.07 0.92 -0.27 1.13 4.39 -0.55 -0.49 114.58 119.80 2b33 h GLU 56 Ca 0.00 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2b33 h GLU 56 Cb 0.89 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2b33 h GLU 56 CO 0.07 1.06 0.08 -0.91 -1.16 0.00 0.00 179.01 178.14 2b33 h ASN 57 N 0.79 0.39 -0.37 1.42 2.35 -0.70 -1.45 115.58 118.02 2b33 h ASN 57 Ca 0.10 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2b33 h ASN 57 Cb 0.80 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2b33 h ASN 57 CO 0.07 0.50 0.16 0.25 -1.65 0.00 0.00 177.43 176.76 2b33 h LEU 58 N 0.26 0.22 -0.70 1.61 5.85 -1.10 -2.31 115.31 119.15 2b33 h LEU 58 Ca 0.08 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2b33 h LEU 58 Cb 0.25 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2b33 h LEU 58 CO -0.00 0.17 0.40 0.50 -0.34 0.00 0.00 178.44 179.17 2b33 h LYS 59 N 0.34 0.96 -0.85 1.25 3.64 -1.00 -1.80 116.57 119.12 2b33 h LYS 59 Ca 0.16 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2b33 h LYS 59 Cb 0.10 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2b33 h LYS 59 CO -0.13 0.71 0.44 0.00 -2.27 0.00 0.00 179.45 178.19 2b33 h ALA 60 N 1.20 1.10 -0.14 5.00 0.00 -1.09 -1.34 119.26 123.99 2b33 h ALA 60 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2b33 h ALA 60 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2b33 h ALA 60 CO -0.04 0.63 -0.03 0.82 0.00 0.00 0.00 179.25 180.63 2b33 h ILE 61 N 1.20 1.29 0.02 0.00 2.04 -1.15 -0.61 117.51 120.30 2b33 h ILE 61 Ca 0.30 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.21 2b33 h ILE 61 Cb 0.07 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2b33 h ILE 61 CO -0.04 0.28 -0.29 -0.07 0.00 0.00 0.00 178.15 178.03 2b33 h LEU 62 N -0.05 -0.87 -1.85 1.44 3.38 -1.26 -2.71 115.31 113.40 2b33 h LEU 62 Ca 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2b33 h LEU 62 Cb 0.45 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2b33 h LEU 62 CO 0.01 -0.36 -0.14 -0.33 0.09 0.00 0.00 178.44 177.71 2b33 h GLU 63 N -0.45 0.00 0.00 1.13 5.08 -0.87 0.75 114.58 120.21 2b33 h GLU 63 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2b33 h GLU 63 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2b33 h GLU 63 CO -0.23 0.14 -0.38 0.00 -1.00 0.00 0.00 179.01 177.53 2b33 h ALA 64 N 1.86 1.03 -0.59 3.43 0.00 -0.79 -3.14 119.26 121.06 2b33 h ALA 64 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2b33 h ALA 64 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2b33 h ALA 64 CO 0.02 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2b33 n GLY 65 N 0.15 2.17 1.40 0.00 0.00 -0.91 -4.95 105.19 103.04 2b33 n GLY 65 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2b33 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b33 n GLY 66 N 1.61 0.60 3.82 -0.02 0.00 -1.13 -5.07 105.19 105.01 2b33 n GLY 66 Ca 0.23 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2b33 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b33 s PHE 67 N -2.00 2.74 0.34 1.61 0.40 0.21 -4.98 117.98 116.30 2b33 s PHE 67 Ca 0.00 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 2b33 s PHE 67 Cb 0.00 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2b33 s PHE 67 CO 0.00 0.09 0.23 -1.54 0.70 0.00 0.00 175.22 174.69 2b33 s SER 68 N -4.01 1.86 0.41 1.36 1.04 -1.26 -2.40 113.70 110.70 2b33 s SER 68 Ca 0.43 -1.71 0.18 0.00 0.48 0.00 0.00 55.95 55.33 2b33 s SER 68 Cb -0.03 0.53 0.90 0.00 0.10 0.00 0.00 66.02 67.53 2b33 s SER 68 CO 0.26 -1.01 1.87 -0.07 0.98 0.00 0.00 173.24 175.27 2b33 h LEU 69 N 2.08 0.00 -1.67 2.42 3.38 -1.94 -2.61 115.31 116.96 2b33 h LEU 69 Ca -0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2b33 h LEU 69 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2b33 h LEU 69 CO 0.43 0.30 -0.10 0.11 0.09 0.00 0.00 178.44 179.28 2b33 h LYS 70 N 0.00 0.00 0.00 1.13 1.57 -1.96 -2.63 116.57 114.68 2b33 h LYS 70 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b33 h LYS 70 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2b33 h LYS 70 CO 0.04 0.10 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.56 2b33 h ASP 71 N 0.00 0.00 -2.81 0.86 3.32 -1.71 -3.46 116.42 112.62 2b33 h ASP 71 Ca -0.00 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 2b33 h ASP 71 Cb 0.47 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.04 2b33 h ASP 71 CO 0.01 0.00 0.90 -0.69 -1.72 0.00 0.00 179.24 177.74 2b33 s VAL 72 N -3.15 3.08 -0.10 -1.35 1.01 -0.99 -0.60 120.40 118.30 2b33 s VAL 72 Ca 0.09 0.64 0.10 0.00 0.00 0.00 0.00 61.98 62.81 2b33 s VAL 72 Cb 0.09 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 2b33 s VAL 72 CO 0.63 0.02 0.05 1.33 0.00 0.00 0.00 175.10 177.13 2b33 n VAL 73 N 4.40 0.68 -3.77 2.92 0.24 -0.64 -4.53 118.33 117.64 2b33 n VAL 73 Ca 0.14 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 2b33 n VAL 73 Cb 0.41 -0.66 -0.13 0.00 -1.47 0.00 0.00 33.84 31.98 2b33 n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2b33 s LYS 74 N -2.29 0.16 0.07 7.34 2.47 -1.06 -0.78 119.74 125.66 2b33 s LYS 74 Ca -0.05 0.37 0.06 0.00 -1.56 0.00 0.00 55.97 54.79 2b33 s LYS 74 Cb 0.03 -0.06 -0.03 0.00 -1.46 0.00 0.00 37.83 36.31 2b33 s LYS 74 CO 0.44 -0.11 -0.16 0.08 0.16 0.00 0.00 175.35 175.75 2b33 s VAL 75 N 0.81 1.31 -0.10 4.02 1.01 -0.28 -0.65 120.40 126.52 2b33 s VAL 75 Ca -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 2b33 s VAL 75 Cb -0.08 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2b33 s VAL 75 CO -0.04 -0.10 -0.02 -0.89 0.00 0.00 0.00 175.10 174.04 2b33 s THR 76 N -1.12 0.65 -0.21 3.92 2.01 -0.85 -2.35 115.64 117.68 2b33 s THR 76 Ca 0.02 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 2b33 s THR 76 Cb -0.09 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2b33 s THR 76 CO 0.03 0.25 0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 2b33 s VAL 77 N 1.86 5.29 -0.06 3.82 1.01 0.04 -2.18 120.40 130.18 2b33 s VAL 77 Ca 0.04 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2b33 s VAL 77 Cb -0.13 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2b33 s VAL 77 CO -0.07 0.41 -0.11 -0.36 0.00 0.00 0.00 175.10 174.97 2b33 s PHE 78 N 0.62 2.81 0.24 5.22 0.08 0.98 -1.44 117.98 126.50 2b33 s PHE 78 Ca 0.07 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 2b33 s PHE 78 Cb -0.12 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2b33 s PHE 78 CO 0.01 0.24 0.23 0.95 -0.10 0.00 0.00 175.22 176.54 2b33 s THR 79 N -0.73 0.00 -1.09 0.64 -4.23 -0.61 -1.13 115.64 108.49 2b33 s THR 79 Ca 0.11 -1.90 0.22 0.00 -1.18 0.00 0.00 61.69 58.94 2b33 s THR 79 Cb -0.11 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.09 2b33 s THR 79 CO 0.01 0.00 1.01 0.35 -0.54 0.00 0.00 174.62 175.45 2b33 n THR 80 N -0.38 0.00 -3.66 3.99 -2.24 -1.11 -0.01 114.28 110.86 2b33 n THR 80 Ca 0.03 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2b33 n THR 80 Cb 0.64 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 2b33 n THR 80 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2b33 s SER 81 N -2.95 -0.71 0.25 3.42 0.15 -1.26 -4.78 113.70 107.83 2b33 s SER 81 Ca 0.10 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.27 2b33 s SER 81 Cb 0.16 1.25 0.95 0.00 -1.71 0.00 0.00 66.02 66.68 2b33 s SER 81 CO 0.81 -0.22 1.73 0.23 1.20 0.00 0.00 173.24 176.99 2b33 n MET 82 N 3.24 0.21 0.08 5.44 2.81 -1.26 -3.04 117.12 124.61 2b33 n MET 82 Ca -0.16 0.38 0.20 0.00 -1.81 0.00 0.00 57.70 56.31 2b33 n MET 82 Cb 0.56 -1.86 0.75 0.00 -0.71 0.00 0.00 33.22 31.96 2b33 n MET 82 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2b33 h ASP 83 N 0.00 0.00 0.34 7.83 3.32 -2.03 -0.74 116.42 125.13 2b33 h ASP 83 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2b33 h ASP 83 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2b33 h ASP 83 CO 0.00 0.00 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.24 2b33 n TYR 84 N -3.81 0.00 0.06 4.55 4.01 -1.17 -4.52 117.16 116.28 2b33 n TYR 84 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 2b33 n TYR 84 Cb 0.60 -0.17 -0.08 0.00 -0.31 0.00 0.00 39.34 39.38 2b33 n TYR 84 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2b33 h PHE 85 N 0.41 -1.30 -0.10 -0.72 3.57 -1.36 0.17 116.94 117.61 2b33 h PHE 85 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2b33 h PHE 85 Cb 0.29 0.57 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2b33 h PHE 85 CO 0.00 -0.52 -0.11 1.96 -2.23 0.00 0.00 178.31 177.41 2b33 h GLN 86 N -0.61 -0.13 -0.24 1.11 7.50 -1.82 -0.48 115.11 120.45 2b33 h GLN 86 Ca 0.04 0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.08 2b33 h GLN 86 Cb 0.68 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 2b33 h GLN 86 CO -0.33 -0.09 -0.34 0.00 -1.50 0.00 0.00 178.83 176.58 2b33 h ARG 87 N -0.13 0.50 -0.27 1.46 3.08 -1.84 -1.84 114.38 115.34 2b33 h ARG 87 Ca 0.07 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2b33 h ARG 87 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2b33 h ARG 87 CO -0.18 0.78 -0.03 0.28 -1.07 0.00 0.00 179.97 179.74 2b33 h VAL 88 N 0.43 1.27 -0.67 2.04 2.07 -0.76 -2.94 116.25 117.69 2b33 h VAL 88 Ca 0.05 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2b33 h VAL 88 Cb 0.80 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2b33 h VAL 88 CO 0.06 0.32 0.44 0.78 0.02 0.00 0.00 177.57 179.20 2b33 h ASN 89 N 0.26 0.69 -0.10 0.57 4.21 -0.94 0.79 115.58 121.06 2b33 h ASN 89 Ca 0.07 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.58 2b33 h ASN 89 Cb 0.49 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2b33 h ASN 89 CO 0.02 0.47 0.05 -0.08 -1.29 0.00 0.00 177.43 176.61 2b33 h GLU 90 N 0.80 0.11 -0.22 0.81 4.81 -1.18 0.66 114.58 120.37 2b33 h GLU 90 Ca 0.27 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 2b33 h GLU 90 Cb 0.08 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2b33 h GLU 90 CO -0.08 0.07 -0.58 0.28 -0.73 0.00 0.00 179.01 177.98 2b33 h VAL 91 N 0.12 1.29 -0.68 0.32 2.07 -1.32 -3.25 116.25 114.80 2b33 h VAL 91 Ca 0.04 -1.78 0.07 0.00 0.82 0.00 0.00 66.70 65.85 2b33 h VAL 91 Cb 0.00 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2b33 h VAL 91 CO -0.02 0.57 0.36 0.22 0.02 0.00 0.00 177.57 178.71 2b33 h TYR 92 N 0.52 0.66 -0.23 1.57 5.03 -0.66 -2.19 116.97 121.67 2b33 h TYR 92 Ca -0.01 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.39 2b33 h TYR 92 Cb 1.19 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2b33 h TYR 92 CO 0.08 0.29 0.17 0.77 -1.32 0.00 0.00 178.16 178.16 2b33 h SER 93 N 0.65 0.00 0.98 -2.11 0.02 -0.90 -0.44 113.55 111.75 2b33 h SER 93 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2b33 h SER 93 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2b33 h SER 93 CO -0.21 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.51 2b33 h ARG 94 N 0.00 0.00 0.00 3.45 3.08 -1.47 0.12 114.38 119.56 2b33 h ARG 94 Ca 0.11 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.79 2b33 h ARG 94 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 2b33 h ARG 94 CO -0.00 0.00 -2.32 0.66 -1.07 0.00 0.00 179.97 177.23 2b33 n TYR 95 N -2.57 0.00 -1.26 3.04 4.02 -0.48 -4.79 117.16 115.12 2b33 n TYR 95 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 2b33 n TYR 95 Cb 0.29 -0.87 0.17 0.00 -0.02 0.00 0.00 39.34 38.91 2b33 n TYR 95 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2b33 n PHE 96 N -3.58 0.11 -0.12 -0.72 3.72 -0.30 -4.79 117.46 111.78 2b33 n PHE 96 Ca -0.44 -1.18 -0.07 0.00 -0.05 0.00 0.00 57.45 55.71 2b33 n PHE 96 Cb 0.89 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 39.32 2b33 n PHE 96 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2b33 h GLY 97 N 0.48 0.91 0.38 1.37 0.00 -0.94 -1.34 103.07 103.93 2b33 h GLY 97 Ca 0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 2b33 h GLY 97 CO 0.03 0.65 -0.41 -0.55 0.00 0.00 0.00 176.54 176.26 2b33 h ASP 98 N 0.76 0.25 -0.07 0.19 3.32 -1.87 -3.39 116.42 115.60 2b33 h ASP 98 Ca 0.12 -0.95 -0.06 0.00 0.02 0.00 0.00 57.03 56.17 2b33 h ASP 98 Cb 0.62 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2b33 h ASP 98 CO 0.04 1.18 -0.18 0.45 -1.72 0.00 0.00 179.24 179.01 2b33 h HIS 99 N -0.64 0.32 -5.63 4.55 3.86 -1.87 -3.49 115.15 112.25 2b33 h HIS 99 Ca -0.07 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 2b33 h HIS 99 Cb 1.30 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.72 2b33 h HIS 99 CO 0.23 0.78 -0.24 0.54 0.86 0.00 0.00 177.93 180.10 2b33 n ARG 100 N -4.57 -1.39 -1.62 2.45 1.74 -0.51 -5.02 116.66 107.74 2b33 n ARG 100 Ca -0.08 1.33 -0.29 0.00 -0.77 0.00 0.00 57.85 58.04 2b33 n ARG 100 Cb 0.40 -5.13 0.11 0.00 -1.02 0.00 0.00 32.46 26.82 2b33 n ARG 100 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2b33 s PRO 101 N -3.45 1.66 0.64 5.56 0.04 -1.26 -5.02 135.00 133.16 2b33 s PRO 101 Ca 0.03 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 2b33 s PRO 101 Cb -0.01 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2b33 s PRO 101 CO 0.78 -1.86 1.16 0.00 0.04 0.00 0.00 177.00 177.12 2b33 s ALA 102 N -3.29 2.44 -0.01 8.56 0.00 0.04 -4.87 121.76 124.64 2b33 s ALA 102 Ca 0.62 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 2b33 s ALA 102 Cb -0.14 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.63 2b33 s ALA 102 CO 0.53 -1.30 0.49 0.50 0.00 0.00 0.00 175.76 175.98 2b33 s ARG 103 N -3.70 0.90 -0.02 0.00 3.52 -1.26 -1.13 118.95 117.25 2b33 s ARG 103 Ca 0.73 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 2b33 s ARG 103 Cb -0.26 0.41 -0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2b33 s ARG 103 CO 0.37 -0.28 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.34 2b33 s SER 104 N -1.45 1.55 -0.20 -2.12 0.01 -0.99 -4.99 113.70 105.51 2b33 s SER 104 Ca -0.10 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2b33 s SER 104 Cb -0.02 -0.32 0.05 0.00 0.21 0.00 0.00 66.02 65.94 2b33 s SER 104 CO 0.05 0.12 -0.04 0.12 0.41 0.00 0.00 173.24 173.90 2b33 s PHE 105 N -0.04 1.86 0.10 2.43 2.19 -1.26 -0.78 117.98 122.48 2b33 s PHE 105 Ca -0.00 -1.31 0.05 0.00 0.33 0.00 0.00 56.93 55.99 2b33 s PHE 105 Cb -0.08 -1.37 -0.03 0.00 -1.31 0.00 0.00 43.02 40.23 2b33 s PHE 105 CO 0.00 -0.68 -0.12 0.14 1.83 0.00 0.00 175.22 176.39 2b33 s VAL 106 N 1.58 1.09 -0.29 3.12 -7.23 -0.52 -5.00 120.40 113.15 2b33 s VAL 106 Ca -0.02 -1.55 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2b33 s VAL 106 Cb -0.17 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.49 2b33 s VAL 106 CO -0.07 -0.42 0.04 0.00 -0.31 0.00 0.00 175.10 174.34 2b33 s ALA 107 N -2.00 2.95 0.68 1.32 0.00 -1.26 -1.57 121.76 121.87 2b33 s ALA 107 Ca 0.04 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.48 2b33 s ALA 107 Cb -0.06 -2.04 0.12 0.00 0.00 0.00 0.00 23.12 21.14 2b33 s ALA 107 CO 0.02 -1.01 0.94 0.14 0.00 0.00 0.00 175.76 175.84 2b33 s VAL 108 N 1.42 2.14 0.08 0.00 -7.23 0.98 -4.93 120.40 112.86 2b33 s VAL 108 Ca 0.00 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 2b33 s VAL 108 Cb -0.18 -2.43 -0.26 0.00 0.56 0.00 0.00 36.38 34.08 2b33 s VAL 108 CO 0.01 0.00 1.17 0.00 -0.31 0.00 0.00 175.10 175.97 2b33 h ALA 109 N -0.33 0.12 -1.96 1.32 0.00 -1.91 -3.39 119.26 113.11 2b33 h ALA 109 Ca -0.34 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 53.76 2b33 h ALA 109 Cb 1.27 0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.92 2b33 h ALA 109 CO 0.40 0.76 0.20 -1.14 0.00 0.00 0.00 179.25 179.48 2b33 s GLN 110 N -3.05 0.94 0.33 0.00 0.74 -1.26 -4.98 119.66 112.39 2b33 s GLN 110 Ca -0.08 0.49 0.09 0.00 0.05 0.00 0.00 55.36 55.92 2b33 s GLN 110 Cb 0.07 0.45 -0.06 0.00 1.10 0.00 0.00 33.01 34.56 2b33 s GLN 110 CO 0.91 -0.24 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.81 2b33 s LEU 111 N -0.65 2.69 0.41 3.68 1.43 -1.26 -5.07 118.68 119.91 2b33 s LEU 111 Ca -0.07 -1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 51.58 2b33 s LEU 111 Cb -0.02 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.16 2b33 s LEU 111 CO 0.06 -0.22 1.20 -2.65 0.23 0.00 0.00 176.35 174.97 2b33 n PRO 112 N -0.76 1.78 -1.59 1.29 -0.02 -1.26 -1.88 135.00 132.57 2b33 n PRO 112 Ca -0.05 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.86 2b33 n PRO 112 Cb 0.63 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2b33 n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2b33 n ARG 113 N 0.11 -1.45 -2.88 -0.52 5.12 -1.26 -2.06 116.66 113.73 2b33 n ARG 113 Ca 0.07 1.20 -0.21 0.00 -1.93 0.00 0.00 57.85 56.99 2b33 n ARG 113 Cb 0.39 -5.58 0.01 0.00 -1.16 0.00 0.00 32.46 26.12 2b33 n ARG 113 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2b33 n ASN 114 N -1.32 -5.15 -4.79 0.55 3.02 -0.79 -5.01 115.26 101.78 2b33 n ASN 114 Ca -0.20 -0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 53.88 2b33 n ASN 114 Cb 0.67 -4.24 0.13 0.00 -0.61 0.00 0.00 39.78 35.73 2b33 n ASN 114 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2b33 s VAL 115 N -3.00 2.16 -0.98 2.41 -7.23 -0.87 -4.90 120.40 108.00 2b33 s VAL 115 Ca 0.22 0.05 0.11 0.00 -1.81 0.00 0.00 61.98 60.55 2b33 s VAL 115 Cb -0.10 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 2b33 s VAL 115 CO 0.27 -0.07 0.66 -0.62 -0.31 0.00 0.00 175.10 175.02 2b33 n GLU 116 N -3.71 2.15 -3.76 4.82 1.02 -1.26 -4.18 120.64 115.72 2b33 n GLU 116 Ca 0.07 -0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 56.50 2b33 n GLU 116 Cb 0.59 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.78 2b33 n GLU 116 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2b33 s ILE 117 N -1.53 -0.01 -0.14 -3.67 1.10 -1.26 -2.77 121.20 112.92 2b33 s ILE 117 Ca 0.09 0.05 -0.09 0.00 -0.51 0.00 0.00 60.65 60.19 2b33 s ILE 117 Cb 0.09 -0.39 0.05 0.00 0.15 0.00 0.00 42.46 42.36 2b33 s ILE 117 CO 0.30 0.02 0.35 -0.70 -2.11 0.00 0.00 174.94 172.80 2b33 s GLU 118 N 0.58 0.35 -0.06 3.50 2.12 -0.29 -4.26 118.70 120.65 2b33 s GLU 118 Ca -0.04 0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.93 2b33 s GLU 118 Cb -0.05 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.38 2b33 s GLU 118 CO -0.03 -0.13 -0.05 0.42 -0.54 0.00 0.00 175.26 174.93 2b33 s ILE 119 N 1.00 0.64 0.38 -3.70 1.01 -0.78 -0.01 121.20 119.74 2b33 s ILE 119 Ca -0.07 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.53 2b33 s ILE 119 Cb -0.07 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 2b33 s ILE 119 CO -0.08 0.27 0.13 -1.83 0.00 0.00 0.00 174.94 173.43 2b33 s GLU 120 N 1.23 2.21 0.11 2.79 -1.05 -0.93 -0.67 118.70 122.39 2b33 s GLU 120 Ca -0.06 -1.78 -0.25 0.00 -0.15 0.00 0.00 54.97 52.74 2b33 s GLU 120 Cb -0.14 -1.99 0.08 0.00 -0.44 0.00 0.00 34.13 31.64 2b33 s GLU 120 CO -0.02 -0.01 0.67 0.00 0.95 0.00 0.00 175.26 176.84 2b33 s ALA 121 N -2.55 -1.66 -0.03 -0.84 0.00 -1.21 -2.00 121.76 113.46 2b33 s ALA 121 Ca 0.39 0.65 0.07 0.00 0.00 0.00 0.00 51.96 53.07 2b33 s ALA 121 Cb 0.02 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2b33 s ALA 121 CO 0.22 -0.73 -0.24 0.42 0.00 0.00 0.00 175.76 175.43 2b33 s ILE 122 N -3.46 1.90 0.07 0.00 1.01 0.18 -1.00 121.20 119.90 2b33 s ILE 122 Ca 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.70 2b33 s ILE 122 Cb -0.01 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2b33 s ILE 122 CO -0.11 0.54 -0.14 0.00 0.00 0.00 0.00 174.94 175.22 2b33 s ALA 123 N -0.41 1.20 -0.03 9.38 0.00 -0.03 -1.62 121.76 130.25 2b33 s ALA 123 Ca 0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2b33 s ALA 123 Cb -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2b33 s ALA 123 CO 0.01 0.18 0.07 0.08 0.00 0.00 0.00 175.76 176.10 2b33 s VAL 124 N -1.21 -0.01 0.31 0.00 1.01 0.24 -0.61 120.40 120.12 2b33 s VAL 124 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2b33 s VAL 124 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2b33 s VAL 124 CO 0.02 0.02 0.10 2.29 0.00 0.00 0.00 175.10 177.52 2b33 n LYS 125 N 3.27 0.72 -0.52 2.72 2.85 -0.77 -4.58 118.16 121.86 2b33 n LYS 125 Ca -0.15 -2.59 0.07 0.00 -1.05 0.00 0.00 58.31 54.59 2b33 n LYS 125 Cb 0.58 1.32 -0.02 0.00 -0.65 0.00 0.00 35.03 36.26 2b33 n LYS 125 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2b33 n GLU 126 N -0.71 -1.04 0.00 -1.58 -0.58 -1.26 -4.90 120.64 110.57 2b33 n GLU 126 Ca -0.06 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 2b33 n GLU 126 Cb 0.46 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2b33 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06