#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3i n SER 2 N 0.00 0.00 -4.81 0.00 3.41 -1.26 -3.60 113.62 107.36 2b3i n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2b3i n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2b3i s VAL 3 N 0.00 1.51 0.07 -3.33 -7.23 0.26 -4.89 120.40 106.78 2b3i s VAL 3 Ca 0.00 -1.76 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2b3i s VAL 3 Cb 0.00 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 2b3i s VAL 3 CO 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.92 2b3i s GLN 4 N -4.04 0.73 -0.06 4.82 1.03 -1.26 0.65 119.66 121.53 2b3i s GLN 4 Ca 0.22 -0.95 0.00 0.00 0.04 0.00 0.00 55.36 54.67 2b3i s GLN 4 Cb 0.00 0.29 0.02 0.00 0.03 0.00 0.00 33.01 33.36 2b3i s GLN 4 CO 0.13 -0.21 -0.04 0.42 -2.54 0.00 0.00 175.29 173.05 2b3i s ILE 5 N -3.53 0.62 -0.25 3.63 1.01 0.51 -4.47 121.20 118.73 2b3i s ILE 5 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 2b3i s ILE 5 Cb 0.04 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2b3i s ILE 5 CO -0.09 0.27 0.28 -0.54 0.00 0.00 0.00 174.94 174.86 2b3i s LYS 6 N 1.30 4.05 -0.65 2.79 1.02 0.50 -0.67 119.74 128.08 2b3i s LYS 6 Ca -0.05 -0.08 -0.23 0.00 0.02 0.00 0.00 55.97 55.63 2b3i s LYS 6 Cb -0.14 -3.60 0.07 0.00 -0.52 0.00 0.00 37.83 33.64 2b3i s LYS 6 CO -0.02 -0.12 0.97 -1.64 -0.92 0.00 0.00 175.35 173.61 2b3i s MET 7 N 1.58 3.12 0.00 1.68 -1.94 0.14 -0.85 119.30 123.03 2b3i s MET 7 Ca 0.12 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2b3i s MET 7 Cb -0.15 -4.22 0.00 0.00 2.01 0.00 0.00 34.83 32.47 2b3i s MET 7 CO 0.08 -1.80 0.00 0.41 -0.01 0.00 0.00 175.02 173.70 2b3i n GLY 8 N 5.31 3.13 3.66 -0.03 0.00 0.93 -0.02 105.19 118.17 2b3i n GLY 8 Ca -0.03 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 2b3i n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b3i s THR 9 N -1.83 3.26 -0.52 2.61 -4.23 0.62 -4.67 115.64 110.88 2b3i s THR 9 Ca 0.00 -1.89 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2b3i s THR 9 Cb 0.00 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.15 2b3i s THR 9 CO 0.00 -0.32 1.50 -0.67 -0.54 0.00 0.00 174.62 174.59 2b3i n ASP 10 N -0.95 0.40 -1.90 3.99 2.03 -1.26 -1.83 116.55 117.04 2b3i n ASP 10 Ca -0.05 0.66 -0.18 0.00 0.52 0.00 0.00 54.79 55.73 2b3i n ASP 10 Cb 0.60 -0.72 0.05 0.00 -0.72 0.00 0.00 41.12 40.33 2b3i n ASP 10 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2b3i n LYS 11 N -2.01 1.86 -2.94 -0.67 2.85 -1.26 -4.81 118.16 111.18 2b3i n LYS 11 Ca 0.00 -1.73 -0.13 0.00 -1.05 0.00 0.00 58.31 55.40 2b3i n LYS 11 Cb 0.08 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 32.76 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2b3i n TYR 12 N 0.11 -1.53 -3.89 5.58 4.01 -0.76 -4.85 117.16 115.82 2b3i n TYR 12 Ca 0.33 0.21 -0.35 0.00 -0.16 0.00 0.00 57.90 57.93 2b3i n TYR 12 Cb 0.67 -1.15 -0.14 0.00 -0.31 0.00 0.00 39.34 38.41 2b3i n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b3i s ALA 13 N -2.20 2.83 -0.74 -0.72 0.00 -1.22 -4.95 121.76 114.75 2b3i s ALA 13 Ca 0.25 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 2b3i s ALA 13 Cb -0.15 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2b3i s ALA 13 CO 0.31 -0.60 1.59 -1.25 0.00 0.00 0.00 175.76 175.82 2b3i s PRO 14 N 1.45 2.95 0.01 0.00 0.04 -1.26 -0.28 135.00 137.91 2b3i s PRO 14 Ca 0.04 -0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.92 2b3i s PRO 14 Cb -0.15 -4.49 0.02 0.00 0.04 0.00 0.00 34.50 29.92 2b3i s PRO 14 CO -0.03 -2.51 0.29 -0.48 0.04 0.00 0.00 177.00 174.31 2b3i s LEU 15 N 7.39 0.93 0.09 -3.56 0.05 -1.26 -4.16 118.68 118.15 2b3i s LEU 15 Ca 0.52 -0.05 -0.30 0.00 0.05 0.00 0.00 54.13 54.35 2b3i s LEU 15 Cb -0.09 1.25 -0.06 0.00 -2.05 0.00 0.00 46.19 45.25 2b3i s LEU 15 CO 0.13 -0.51 1.07 -0.31 -0.55 0.00 0.00 176.35 176.18 2b3i s TYR 16 N -1.81 3.62 -0.04 3.48 2.02 -1.26 -0.05 117.35 123.30 2b3i s TYR 16 Ca -0.10 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.20 2b3i s TYR 16 Cb -0.04 -3.23 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 2b3i s TYR 16 CO 0.01 -0.46 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.46 2b3i s GLU 17 N 0.43 1.03 0.66 -0.62 2.12 -0.03 -2.65 118.70 119.64 2b3i s GLU 17 Ca 0.52 -0.21 -0.12 0.00 0.36 0.00 0.00 54.97 55.52 2b3i s GLU 17 Cb -0.26 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.17 2b3i s GLU 17 CO 0.31 -0.02 1.06 -1.25 -0.54 0.00 0.00 175.26 174.82 2b3i s PRO 18 N 0.69 3.07 0.30 4.30 0.04 -1.26 0.19 135.00 142.34 2b3i s PRO 18 Ca -0.11 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.00 2b3i s PRO 18 Cb -0.13 -2.01 0.69 0.00 0.04 0.00 0.00 34.50 33.08 2b3i s PRO 18 CO 0.01 -0.99 1.81 0.87 0.04 0.00 0.00 177.00 178.74 2b3i h LYS 19 N -0.37 0.82 -6.15 4.56 1.79 -1.84 -3.41 116.57 111.97 2b3i h LYS 19 Ca -0.45 -0.05 -0.57 0.00 -2.18 0.00 0.00 60.65 57.40 2b3i h LYS 19 Cb 1.21 -0.18 -0.24 0.00 -1.58 0.00 0.00 32.23 31.44 2b3i h LYS 19 CO 0.57 0.54 -0.83 0.00 -1.08 0.00 0.00 179.45 178.65 2b3i s ALA 20 N -5.87 1.80 -0.02 3.86 0.00 -1.26 -2.70 121.76 117.57 2b3i s ALA 20 Ca -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2b3i s ALA 20 Cb 0.24 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2b3i s ALA 20 CO 0.80 0.38 0.07 -1.17 0.00 0.00 0.00 175.76 175.85 2b3i s LEU 21 N -1.56 1.75 0.02 0.00 2.96 -0.74 -4.94 118.68 116.16 2b3i s LEU 21 Ca 0.07 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2b3i s LEU 21 Cb -0.09 0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 2b3i s LEU 21 CO 0.03 -0.06 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.32 2b3i s SER 22 N -0.12 1.62 0.19 3.68 0.15 -1.26 -0.61 113.70 117.34 2b3i s SER 22 Ca -0.02 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 2b3i s SER 22 Cb -0.01 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2b3i s SER 22 CO 0.00 0.09 0.31 2.30 1.20 0.00 0.00 173.24 177.14 2b3i n ILE 23 N 2.27 0.00 -4.58 6.45 -5.35 0.50 -4.86 119.36 113.80 2b3i n ILE 23 Ca -0.16 -0.72 -0.26 0.00 -0.27 0.00 0.00 62.75 61.33 2b3i n ILE 23 Cb 0.55 0.53 -0.10 0.00 -1.74 0.00 0.00 39.64 38.87 2b3i n ILE 23 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2b3i s SER 24 N -2.07 3.40 -0.54 7.28 1.04 -1.26 0.19 113.70 121.74 2b3i s SER 24 Ca 0.12 -1.41 -0.27 0.00 0.48 0.00 0.00 55.95 54.87 2b3i s SER 24 Cb -0.01 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2b3i s SER 24 CO 0.08 -0.56 1.97 0.00 0.98 0.00 0.00 173.24 175.72 2b3i s ALA 25 N -2.93 2.16 0.00 5.32 0.00 -1.26 -1.17 121.76 123.88 2b3i s ALA 25 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2b3i s ALA 25 Cb 0.08 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2b3i s ALA 25 CO 0.16 -3.83 0.00 0.41 0.00 0.00 0.00 175.76 172.50 2b3i n GLY 26 N 5.73 0.59 3.94 0.00 0.00 -0.83 -4.94 105.19 109.68 2b3i n GLY 26 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2b3i n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b3i s ASP 27 N -0.51 3.74 0.14 1.61 1.11 -0.32 -4.83 116.67 117.60 2b3i s ASP 27 Ca 0.00 0.25 0.06 0.00 0.18 0.00 0.00 52.55 53.04 2b3i s ASP 27 Cb 0.00 -0.49 -0.04 0.00 1.07 0.00 0.00 42.92 43.46 2b3i s ASP 27 CO 0.00 -2.33 -0.13 -0.89 1.18 0.00 0.00 175.17 173.01 2b3i s THR 28 N -3.64 1.32 -0.22 -1.27 2.01 -1.24 -1.57 115.64 111.04 2b3i s THR 28 Ca 0.69 -1.88 -0.03 0.00 0.31 0.00 0.00 61.69 60.78 2b3i s THR 28 Cb -0.06 -1.68 0.07 0.00 0.01 0.00 0.00 72.50 70.84 2b3i s THR 28 CO 0.50 -0.55 0.06 -0.69 -0.69 0.00 0.00 174.62 173.25 2b3i s VAL 29 N -2.62 0.49 0.23 3.82 1.01 0.18 0.90 120.40 124.40 2b3i s VAL 29 Ca 0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2b3i s VAL 29 Cb -0.02 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 2b3i s VAL 29 CO 0.03 -0.33 0.61 -0.70 0.00 0.00 0.00 175.10 174.71 2b3i s GLU 30 N 1.86 3.93 -0.12 2.72 -6.30 0.21 -2.79 118.70 118.22 2b3i s GLU 30 Ca 0.02 0.48 0.01 0.00 -2.50 0.00 0.00 54.97 52.97 2b3i s GLU 30 Cb -0.17 -2.69 0.02 0.00 0.00 0.00 0.00 34.13 31.30 2b3i s GLU 30 CO -0.13 0.32 -0.13 -0.06 0.02 0.00 0.00 175.26 175.29 2b3i s PHE 31 N -1.74 1.88 -0.02 5.30 0.40 -0.76 0.19 117.98 123.23 2b3i s PHE 31 Ca 0.46 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 2b3i s PHE 31 Cb -0.12 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 2b3i s PHE 31 CO 0.20 -0.54 -0.15 0.54 0.70 0.00 0.00 175.22 175.96 2b3i s VAL 32 N 1.33 1.22 -0.38 -0.44 0.11 0.15 -2.71 120.40 119.68 2b3i s VAL 32 Ca 0.00 -0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 58.16 2b3i s VAL 32 Cb -0.14 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2b3i s VAL 32 CO -0.06 0.35 0.83 -0.04 -3.33 0.00 0.00 175.10 172.85 2b3i s MET 33 N -0.28 3.71 -0.01 1.54 -1.94 -1.25 0.24 119.30 121.31 2b3i s MET 33 Ca 0.04 0.31 -0.04 0.00 -1.71 0.00 0.00 55.69 54.29 2b3i s MET 33 Cb -0.07 -3.83 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 2b3i s MET 33 CO -0.00 -0.94 0.49 -0.91 -0.01 0.00 0.00 175.02 173.65 2b3i h ASN 34 N 8.60 -0.12 -0.29 3.03 4.21 -0.71 -3.39 115.58 126.89 2b3i h ASN 34 Ca -0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2b3i h ASN 34 Cb 1.09 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2b3i h ASN 34 CO 0.95 -0.02 0.00 2.29 -1.29 0.00 0.00 177.43 179.36 2b3i n LYS 35 N -2.77 0.00 -3.85 0.81 0.00 -1.06 -4.99 118.16 106.31 2b3i n LYS 35 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.93 2b3i n LYS 35 Cb 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.11 2b3i n LYS 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2b3i n VAL 36 N 0.00 -4.48 -2.33 0.58 3.14 -1.26 -4.52 118.33 109.46 2b3i n VAL 36 Ca 0.00 -0.80 -0.04 0.00 -2.96 0.00 0.00 64.34 60.54 2b3i n VAL 36 Cb 0.00 -3.45 0.02 0.00 -1.06 0.00 0.00 33.84 29.35 2b3i n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b3i n GLY 37 N -1.87 0.79 0.45 7.55 0.00 -1.26 -4.76 105.19 106.09 2b3i n GLY 37 Ca -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.89 2b3i n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b3i n PRO 38 N -1.31 -0.71 -2.05 1.61 -0.04 -1.26 -5.12 135.00 126.12 2b3i n PRO 38 Ca 0.03 -0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.23 2b3i n PRO 38 Cb 0.10 -0.18 -0.01 0.00 -0.04 0.00 0.00 33.50 33.37 2b3i n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2b3i n HIS 39 N -2.50 -0.40 -1.48 0.54 8.25 -1.24 -4.89 115.22 113.50 2b3i n HIS 39 Ca 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 2b3i n HIS 39 Cb 0.07 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2b3i n HIS 39 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2b3i n ASN 40 N -2.34 0.00 -3.29 0.41 6.94 -1.26 -2.71 115.26 113.01 2b3i n ASN 40 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.48 2b3i n ASN 40 Cb 0.08 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 2b3i n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2b3i s VAL 41 N -3.51 -0.66 -0.69 3.53 1.01 -1.16 -4.93 120.40 113.98 2b3i s VAL 41 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2b3i s VAL 41 Cb 0.00 -0.90 0.19 0.00 0.00 0.00 0.00 36.38 35.67 2b3i s VAL 41 CO 0.00 -0.27 0.56 -0.38 0.00 0.00 0.00 175.10 175.01 2b3i n ILE 42 N 5.20 1.83 -1.10 2.22 2.08 -1.16 0.22 119.36 128.64 2b3i n ILE 42 Ca 0.03 -4.96 -0.36 0.00 0.56 0.00 0.00 62.75 58.01 2b3i n ILE 42 Cb 0.50 -2.17 0.06 0.00 -0.75 0.00 0.00 39.64 37.27 2b3i n ILE 42 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2b3i n PHE 43 N 1.68 -2.78 -0.08 1.39 3.72 -1.26 -3.24 117.46 116.89 2b3i n PHE 43 Ca 0.22 0.23 -0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2b3i n PHE 43 Cb 0.36 -1.69 -0.07 0.00 -0.94 0.00 0.00 39.48 37.14 2b3i n PHE 43 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2b3i h ASP 44 N -0.68 0.00 0.00 4.37 1.82 0.36 -3.44 116.42 118.85 2b3i h ASP 44 Ca -0.44 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 2b3i h ASP 44 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2b3i h ASP 44 CO 0.35 1.09 0.00 0.29 -1.61 0.00 0.00 179.24 179.36 2b3i n LYS 45 N -4.55 0.00 -4.36 0.28 5.02 -1.20 -4.78 118.16 108.57 2b3i n LYS 45 Ca -0.18 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 2b3i n LYS 45 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 2b3i n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2b3i s VAL 46 N -1.74 1.45 0.71 -0.18 0.11 -1.26 -3.64 120.40 115.84 2b3i s VAL 46 Ca 0.00 -2.12 -0.11 0.00 -2.93 0.00 0.00 61.98 56.83 2b3i s VAL 46 Cb 0.00 -2.24 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 2b3i s VAL 46 CO 0.00 -0.44 1.06 -2.16 -3.33 0.00 0.00 175.10 170.23 2b3i s PRO 47 N -3.74 2.84 0.10 1.54 0.04 -1.26 -4.82 135.00 129.70 2b3i s PRO 47 Ca 0.26 0.92 -0.35 0.00 0.04 0.00 0.00 61.00 61.87 2b3i s PRO 47 Cb 0.03 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 2b3i s PRO 47 CO 0.08 -1.16 0.98 0.00 0.04 0.00 0.00 177.00 176.95 2b3i n ALA 48 N -3.16 -2.45 0.00 8.56 0.00 -1.26 -3.33 120.51 118.87 2b3i n ALA 48 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2b3i n ALA 48 Cb 0.54 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2b3i n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 49 N 1.83 3.85 0.76 0.00 0.00 -1.26 -4.87 105.19 105.51 2b3i n GLY 49 Ca 0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2b3i n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b3i n GLU 50 N 0.00 1.65 -3.54 1.61 4.07 -1.21 -4.80 120.64 118.42 2b3i n GLU 50 Ca 0.00 -0.76 -0.27 0.00 -0.06 0.00 0.00 57.16 56.07 2b3i n GLU 50 Cb 0.00 0.18 -0.11 0.00 -0.06 0.00 0.00 31.44 31.45 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2b3i n SER 51 N -1.26 0.57 0.03 4.31 7.64 -1.26 -4.90 113.62 118.74 2b3i n SER 51 Ca -0.04 -2.63 -0.10 0.00 1.01 0.00 0.00 58.87 57.12 2b3i n SER 51 Cb 0.13 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b3i h ALA 52 N 5.55 -0.17 0.00 -0.43 0.00 -1.92 -2.31 119.26 119.98 2b3i h ALA 52 Ca 0.23 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 2b3i h ALA 52 Cb 0.86 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2b3i h ALA 52 CO 0.48 -0.66 0.22 -0.35 0.00 0.00 0.00 179.25 178.94 2b3i n PRO 53 N -5.32 1.65 0.00 0.00 -0.04 -1.26 -2.72 135.00 127.31 2b3i n PRO 53 Ca -0.04 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 2b3i n PRO 53 Cb 0.24 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2b3i n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3i n ALA 54 N 2.78 0.30 0.31 0.55 0.00 -0.91 -4.87 120.51 118.67 2b3i n ALA 54 Ca 0.35 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.95 2b3i n ALA 54 Cb 0.63 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.76 2b3i n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2b3i h LEU 55 N 0.00 0.00 -9.73 0.00 3.38 -1.25 -3.44 115.31 104.26 2b3i h LEU 55 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2b3i h LEU 55 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 2b3i h LEU 55 CO 0.00 0.00 0.06 -1.54 0.09 0.00 0.00 178.44 177.05 2b3i n SER 56 N -2.64 0.63 -4.17 -0.43 3.41 -1.22 -4.97 113.62 104.23 2b3i n SER 56 Ca 0.00 0.85 -0.34 0.00 -0.26 0.00 0.00 58.87 59.12 2b3i n SER 56 Cb 0.20 -1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 62.66 2b3i n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2b3i s ASN 57 N -1.10 4.57 -0.16 4.04 0.01 0.59 -4.96 114.94 117.93 2b3i s ASN 57 Ca 0.71 -1.10 0.05 0.00 -0.71 0.00 0.00 52.86 51.82 2b3i s ASN 57 Cb -0.46 -1.67 0.40 0.00 0.41 0.00 0.00 41.25 39.93 2b3i s ASN 57 CO 0.51 -0.19 1.27 1.07 -1.51 0.00 0.00 177.10 178.24 2b3i n THR 58 N 4.62 1.69 -3.37 1.60 5.66 -1.26 -3.01 114.28 120.21 2b3i n THR 58 Ca -0.15 -0.82 -0.37 0.00 -3.05 0.00 0.00 64.05 59.66 2b3i n THR 58 Cb 0.45 -0.51 -0.04 0.00 -1.55 0.00 0.00 70.33 68.68 2b3i n THR 58 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2b3i n LYS 59 N 0.08 3.25 -1.54 1.09 4.81 -1.26 -5.03 118.16 119.56 2b3i n LYS 59 Ca 0.20 -4.55 -0.52 0.00 -0.87 0.00 0.00 58.31 52.57 2b3i n LYS 59 Cb 0.88 -2.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 2b3i n LYS 59 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2b3i n LEU 60 N 1.67 2.37 -4.60 3.14 -0.00 -1.26 -4.85 117.00 113.47 2b3i n LEU 60 Ca 0.25 0.65 -0.43 0.00 -0.00 0.00 0.00 56.01 56.49 2b3i n LEU 60 Cb 0.37 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.42 42.52 2b3i n LEU 60 CO 0.49 -0.56 1.03 0.00 -0.00 0.00 0.00 177.39 178.36 2b3i s ALA 61 N 5.94 3.18 -0.07 1.47 0.00 -1.10 -4.89 121.76 126.29 2b3i s ALA 61 Ca 1.05 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 2b3i s ALA 61 Cb -0.89 -3.88 -0.22 0.00 0.00 0.00 0.00 23.12 18.13 2b3i s ALA 61 CO 0.54 -2.19 1.03 0.82 0.00 0.00 0.00 175.76 175.95 2b3i h ILE 62 N 6.20 1.51 -3.82 0.00 1.08 -1.90 -3.30 117.51 117.28 2b3i h ILE 62 Ca -0.23 -1.63 -0.50 0.00 -0.39 0.00 0.00 64.86 62.10 2b3i h ILE 62 Cb 1.06 2.60 0.02 0.00 -3.07 0.00 0.00 36.82 37.43 2b3i h ILE 62 CO 1.12 0.42 0.48 0.00 -0.69 0.00 0.00 178.15 179.47 2b3i s ALA 63 N -3.37 3.39 0.44 1.87 0.00 -1.26 -4.80 121.76 118.03 2b3i s ALA 63 Ca -0.17 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 2b3i s ALA 63 Cb -0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2b3i s ALA 63 CO 0.66 -0.18 1.05 -1.25 0.00 0.00 0.00 175.76 176.04 2b3i s PRO 64 N -1.51 3.99 0.00 0.00 0.04 -1.26 -4.87 135.00 131.38 2b3i s PRO 64 Ca 0.45 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2b3i s PRO 64 Cb -0.32 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2b3i s PRO 64 CO 0.41 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2b3i n GLY 65 N 0.06 -0.83 3.15 0.56 0.00 -1.26 -5.11 105.19 101.76 2b3i n GLY 65 Ca 0.07 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.69 2b3i n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b3i s SER 66 N -4.00 -0.86 0.00 1.61 0.01 -1.26 -3.76 113.70 105.43 2b3i s SER 66 Ca 0.00 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2b3i s SER 66 Cb 0.00 1.66 0.00 0.00 0.21 0.00 0.00 66.02 67.89 2b3i s SER 66 CO 0.00 -0.16 0.12 0.49 0.41 0.00 0.00 173.24 174.10 2b3i n PHE 67 N 5.39 0.00 -4.01 2.43 3.72 -1.10 -4.97 117.46 118.92 2b3i n PHE 67 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2b3i n PHE 67 Cb 0.54 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.09 2b3i n PHE 67 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2b3i n TYR 68 N -0.24 -0.17 -4.35 1.38 0.18 -1.21 -5.05 117.16 107.70 2b3i n TYR 68 Ca 0.00 -0.49 -0.24 0.00 1.88 0.00 0.00 57.90 59.05 2b3i n TYR 68 Cb 0.00 0.22 -0.08 0.00 -0.38 0.00 0.00 39.34 39.09 2b3i n TYR 68 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2b3i s SER 69 N -3.36 4.20 -0.10 9.48 0.01 -1.26 -1.82 113.70 120.84 2b3i s SER 69 Ca 0.26 -0.76 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 2b3i s SER 69 Cb -0.00 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.61 2b3i s SER 69 CO -0.01 0.03 0.35 0.68 0.41 0.00 0.00 173.24 174.70 2b3i s VAL 70 N -2.29 0.02 -0.07 3.43 -7.23 -1.12 -4.99 120.40 108.15 2b3i s VAL 70 Ca 0.30 -0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.25 2b3i s VAL 70 Cb -0.06 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2b3i s VAL 70 CO 0.18 -0.08 0.19 -0.89 -0.31 0.00 0.00 175.10 174.18 2b3i s THR 71 N -0.33 5.42 0.43 5.32 2.01 -1.26 -0.65 115.64 126.58 2b3i s THR 71 Ca -0.05 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.22 2b3i s THR 71 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2b3i s THR 71 CO 0.02 0.53 0.19 -0.76 -0.69 0.00 0.00 174.62 173.91 2b3i s LEU 72 N -1.29 3.02 0.02 4.42 1.43 -0.61 -4.99 118.68 120.68 2b3i s LEU 72 Ca 0.20 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2b3i s LEU 72 Cb -0.13 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2b3i s LEU 72 CO 0.09 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2b3i n GLY 73 N -1.29 -0.54 3.65 -3.19 0.00 -1.26 -1.97 105.19 100.58 2b3i n GLY 73 Ca -0.02 0.07 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 2b3i n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b3i n THR 74 N -2.56 0.15 -2.51 2.61 -1.04 -1.26 -4.39 114.28 105.28 2b3i n THR 74 Ca 0.00 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.59 2b3i n THR 74 Cb 0.00 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.23 2b3i n THR 74 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2b3i s PRO 75 N 1.73 4.55 0.00 -2.82 0.04 -1.26 -4.66 135.00 132.58 2b3i s PRO 75 Ca 0.87 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2b3i s PRO 75 Cb -0.87 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2b3i s PRO 75 CO 0.49 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.10 2b3i n GLY 76 N 1.02 0.82 3.48 0.56 0.00 -1.23 -4.87 105.19 104.97 2b3i n GLY 76 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2b3i n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 77 N -1.20 4.66 -0.06 2.61 2.01 -1.26 -1.42 115.64 120.97 2b3i s THR 77 Ca 0.00 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 2b3i s THR 77 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2b3i s THR 77 CO 0.00 0.24 0.47 -0.31 -0.69 0.00 0.00 174.62 174.33 2b3i s TYR 78 N 1.65 3.62 0.09 4.92 1.51 0.50 -4.65 117.35 124.99 2b3i s TYR 78 Ca 0.06 0.98 0.10 0.00 -1.01 0.00 0.00 57.07 57.20 2b3i s TYR 78 Cb -0.16 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2b3i s TYR 78 CO 0.06 0.36 -0.25 -1.54 -1.11 0.00 0.00 175.55 173.07 2b3i s SER 79 N -0.09 3.35 0.03 2.29 1.04 -1.24 0.42 113.70 119.51 2b3i s SER 79 Ca 0.26 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 2b3i s SER 79 Cb -0.16 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2b3i s SER 79 CO 0.12 0.22 0.05 2.22 0.98 0.00 0.00 173.24 176.83 2b3i n PHE 80 N 1.30 -0.83 -3.57 5.02 -1.74 -1.17 0.99 117.46 117.46 2b3i n PHE 80 Ca -0.17 -0.17 0.03 0.00 -0.56 0.00 0.00 57.45 56.58 2b3i n PHE 80 Cb 0.52 0.06 -0.00 0.00 1.52 0.00 0.00 39.48 41.58 2b3i n PHE 80 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2b3i s TYR 81 N -6.77 -0.01 0.26 2.97 -0.85 -1.20 -3.50 117.35 108.26 2b3i s TYR 81 Ca 0.02 -0.01 -0.09 0.00 -0.52 0.00 0.00 57.07 56.46 2b3i s TYR 81 Cb -0.00 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.78 2b3i s TYR 81 CO 0.01 -0.07 0.57 0.00 -1.52 0.00 0.00 175.55 174.54 2b3i h THR 83 N 1.81 0.85 -0.02 0.00 2.02 -1.93 -3.19 112.91 112.45 2b3i h THR 83 Ca -0.47 -1.40 -0.09 0.00 0.77 0.00 0.00 66.41 65.22 2b3i h THR 83 Cb 1.17 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2b3i h THR 83 CO 0.68 0.26 -0.35 1.55 0.37 0.00 0.00 175.52 178.03 2b3i h PRO 84 N -0.94 0.27 -1.94 6.66 0.13 -1.95 -3.27 132.00 130.96 2b3i h PRO 84 Ca -0.01 -0.27 -0.35 0.00 -0.87 0.00 0.00 66.00 64.51 2b3i h PRO 84 Cb 0.51 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.58 2b3i h PRO 84 CO 0.02 0.96 0.12 0.72 -0.23 0.00 0.00 178.00 179.59 2b3i n HIS 85 N -4.42 0.98 0.11 1.56 8.25 -1.26 -4.24 115.22 116.21 2b3i n HIS 85 Ca -0.09 -1.74 0.05 0.00 -0.26 0.00 0.00 57.72 55.67 2b3i n HIS 85 Cb 0.54 -1.34 0.01 0.00 1.12 0.00 0.00 29.99 30.32 2b3i n HIS 85 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2b3i h ARG 86 N 2.67 0.00 0.00 -0.41 0.11 -1.60 -2.93 114.38 112.22 2b3i h ARG 86 Ca 0.29 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.28 2b3i h ARG 86 Cb 1.02 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 2b3i h ARG 86 CO 0.60 0.28 -1.98 0.41 0.10 0.00 0.00 179.97 179.38 2b3i n GLY 87 N 1.25 -0.88 0.07 0.08 0.00 -1.26 -4.18 105.19 100.27 2b3i n GLY 87 Ca -0.02 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.67 2b3i n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3i n ALA 88 N -2.31 1.45 -1.52 4.61 0.00 -1.25 -4.85 120.51 116.64 2b3i n ALA 88 Ca -0.11 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2b3i n ALA 88 Cb 0.67 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2b3i n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 89 N -0.46 0.63 2.89 0.00 0.00 -1.25 -4.92 105.19 102.08 2b3i n GLY 89 Ca 0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2b3i n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2b3i n MET 90 N -1.01 2.92 -4.53 1.61 0.00 -1.11 -4.77 117.12 110.24 2b3i n MET 90 Ca 0.00 -4.55 -0.27 0.00 0.00 0.00 0.00 57.70 52.88 2b3i n MET 90 Cb 0.42 -2.38 -0.13 0.00 0.00 0.00 0.00 33.22 31.12 2b3i n MET 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2b3i s VAL 91 N -1.97 1.95 0.20 1.12 -7.23 -1.26 -2.36 120.40 110.84 2b3i s VAL 91 Ca 0.32 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 2b3i s VAL 91 Cb 0.01 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 2b3i s VAL 91 CO -0.05 0.13 0.20 0.61 -0.31 0.00 0.00 175.10 175.67 2b3i n GLY 92 N 1.35 3.16 3.28 2.32 0.00 -1.23 -4.57 105.19 109.50 2b3i n GLY 92 Ca -0.18 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 2b3i n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 93 N -2.75 0.10 -0.16 2.61 2.01 -1.10 -3.05 115.64 113.30 2b3i s THR 93 Ca 0.22 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2b3i s THR 93 Cb 0.01 -1.35 0.08 0.00 0.01 0.00 0.00 72.50 71.24 2b3i s THR 93 CO 0.15 -0.46 0.29 -0.63 -0.69 0.00 0.00 174.62 173.29 2b3i s ILE 94 N -3.85 -0.46 -0.01 1.82 1.01 0.17 -1.79 121.20 118.09 2b3i s ILE 94 Ca 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 2b3i s ILE 94 Cb 0.03 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2b3i s ILE 94 CO -0.10 0.05 0.15 -0.89 0.00 0.00 0.00 174.94 174.15 2b3i s THR 95 N 2.45 5.20 -0.57 2.92 2.01 0.22 0.19 115.64 128.05 2b3i s THR 95 Ca 0.03 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.83 2b3i s THR 95 Cb -0.13 -3.41 0.21 0.00 0.01 0.00 0.00 72.50 69.18 2b3i s THR 95 CO -0.10 0.33 0.56 0.52 -0.69 0.00 0.00 174.62 175.24 2b3i n VAL 96 N 1.01 0.95 1.96 3.82 0.31 -0.51 0.19 118.33 126.06 2b3i n VAL 96 Ca -0.11 -4.58 0.16 0.00 -0.01 0.00 0.00 64.34 59.80 2b3i n VAL 96 Cb 0.53 -2.02 0.92 0.00 -0.91 0.00 0.00 33.84 32.35 2b3i n VAL 96 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67