#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3i s SER 2 N 0.00 5.74 0.50 0.00 0.01 -1.26 -4.62 113.70 114.06 2b3i s SER 2 Ca 0.00 2.38 0.04 0.00 1.31 0.00 0.00 55.95 59.68 2b3i s SER 2 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2b3i s SER 2 CO 0.00 -1.22 0.14 0.68 0.41 0.00 0.00 173.24 173.25 2b3i s VAL 3 N -1.55 1.53 0.03 3.43 -7.23 0.20 -4.90 120.40 111.90 2b3i s VAL 3 Ca 0.69 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2b3i s VAL 3 Cb -0.30 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2b3i s VAL 3 CO 0.35 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 175.17 2b3i s GLN 4 N -3.99 0.48 -0.21 4.82 -2.07 -1.26 0.55 119.66 117.98 2b3i s GLN 4 Ca 0.21 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 53.01 2b3i s GLN 4 Cb 0.01 0.18 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 2b3i s GLN 4 CO 0.12 -0.10 -0.08 0.42 -1.32 0.00 0.00 175.29 174.33 2b3i s ILE 5 N -2.29 1.59 -0.03 3.63 -1.09 0.49 -4.63 121.20 118.87 2b3i s ILE 5 Ca -0.08 -1.07 -0.20 0.00 -2.23 0.00 0.00 60.65 57.06 2b3i s ILE 5 Cb -0.03 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 2b3i s ILE 5 CO -0.04 0.07 0.58 -0.54 -1.23 0.00 0.00 174.94 173.79 2b3i s LYS 6 N 1.40 4.33 -0.45 2.79 1.02 0.16 -1.23 119.74 127.76 2b3i s LYS 6 Ca -0.03 0.70 -0.15 0.00 0.02 0.00 0.00 55.97 56.51 2b3i s LYS 6 Cb -0.17 -3.37 0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2b3i s LYS 6 CO -0.07 0.29 0.36 -1.64 -0.92 0.00 0.00 175.35 173.37 2b3i s MET 7 N 0.08 2.94 0.00 1.68 -1.94 0.11 -0.51 119.30 121.66 2b3i s MET 7 Ca 0.31 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 52.99 2b3i s MET 7 Cb -0.18 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.60 2b3i s MET 7 CO 0.16 -0.96 0.00 0.41 -0.01 0.00 0.00 175.02 174.62 2b3i n GLY 8 N 5.16 2.63 3.46 -0.03 0.00 0.24 0.15 105.19 116.80 2b3i n GLY 8 Ca -0.12 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.68 2.45 -0.36 2.61 -4.23 0.52 -4.61 115.64 109.34 2b3i s THR 9 Ca 0.00 -2.33 0.20 0.00 -1.18 0.00 0.00 61.69 58.37 2b3i s THR 9 Cb 0.00 -2.26 0.20 0.00 1.34 0.00 0.00 72.50 71.77 2b3i s THR 9 CO 0.00 -0.34 1.60 -0.67 -0.54 0.00 0.00 174.62 174.67 2b3i n ASP 10 N -0.44 0.51 -1.96 3.99 2.03 -1.26 -1.86 116.55 117.56 2b3i n ASP 10 Ca -0.07 0.71 -0.19 0.00 0.52 0.00 0.00 54.79 55.77 2b3i n ASP 10 Cb 0.59 -0.79 0.04 0.00 -0.72 0.00 0.00 41.12 40.24 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 -2.16 1.90 -4.14 -0.67 2.85 -1.26 -4.81 118.16 109.87 2b3i n LYS 11 Ca -0.00 -1.74 -0.37 0.00 -1.05 0.00 0.00 58.31 55.15 2b3i n LYS 11 Cb 0.07 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 32.69 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 0.29 -1.01 -3.91 5.58 4.02 -0.78 -4.87 117.16 116.48 2b3i n TYR 12 Ca 0.33 0.59 -0.35 0.00 -0.01 0.00 0.00 57.90 58.47 2b3i n TYR 12 Cb 0.58 -1.66 -0.14 0.00 -0.02 0.00 0.00 39.34 38.10 2b3i n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b3i s ALA 13 N -3.02 2.80 -1.21 -0.72 0.00 -1.20 -4.96 121.76 113.44 2b3i s ALA 13 Ca 0.69 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 2b3i s ALA 13 Cb -0.40 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2b3i s ALA 13 CO 0.89 -1.05 1.89 -0.35 0.00 0.00 0.00 175.76 177.14 2b3i n PRO 14 N 4.67 2.36 -4.12 0.00 -0.04 -1.26 -0.36 135.00 136.26 2b3i n PRO 14 Ca -0.15 -2.73 -0.09 0.00 -0.04 0.00 0.00 63.50 60.48 2b3i n PRO 14 Cb 0.45 -3.50 -0.10 0.00 -0.04 0.00 0.00 33.50 30.31 2b3i n PRO 14 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2b3i s LEU 15 N 6.23 2.45 0.30 1.53 0.05 -1.26 -4.29 118.68 123.69 2b3i s LEU 15 Ca 0.59 -0.91 -0.28 0.00 0.05 0.00 0.00 54.13 53.58 2b3i s LEU 15 Cb 0.05 0.02 -0.09 0.00 -2.05 0.00 0.00 46.19 44.12 2b3i s LEU 15 CO 0.09 -0.47 1.00 -0.31 -0.55 0.00 0.00 176.35 176.11 2b3i s TYR 16 N -3.31 3.67 -0.14 3.48 2.02 -1.26 0.82 117.35 122.63 2b3i s TYR 16 Ca 0.06 1.78 -0.06 0.00 -0.37 0.00 0.00 57.07 58.47 2b3i s TYR 16 Cb 0.03 -3.07 0.06 0.00 -0.40 0.00 0.00 41.96 38.58 2b3i s TYR 16 CO -0.06 -0.07 0.31 -2.00 -1.57 0.00 0.00 175.55 172.16 2b3i s GLU 17 N -1.72 0.24 0.84 -0.62 2.12 0.33 -3.62 118.70 116.28 2b3i s GLU 17 Ca 0.47 0.72 -0.12 0.00 0.36 0.00 0.00 54.97 56.40 2b3i s GLU 17 Cb -0.25 -0.02 0.10 0.00 0.26 0.00 0.00 34.13 34.22 2b3i s GLU 17 CO 0.32 -0.21 1.11 -1.25 -0.54 0.00 0.00 175.26 174.69 2b3i s PRO 18 N 1.80 1.69 0.17 4.30 0.04 -1.26 0.40 135.00 142.15 2b3i s PRO 18 Ca -0.05 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 61.39 2b3i s PRO 18 Cb -0.11 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2b3i s PRO 18 CO -0.10 -1.86 1.53 -0.22 0.04 0.00 0.00 177.00 176.39 2b3i h LYS 19 N -1.26 0.88 -6.79 4.56 3.64 -1.86 -3.44 116.57 112.30 2b3i h LYS 19 Ca -0.48 -0.43 -0.69 0.00 -1.27 0.00 0.00 60.65 57.78 2b3i h LYS 19 Cb 1.30 -0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.87 2b3i h LYS 19 CO 0.60 1.08 -0.87 0.00 -2.27 0.00 0.00 179.45 177.99 2b3i s ALA 20 N -4.47 2.35 -0.04 5.00 0.00 -1.26 -1.53 121.76 121.81 2b3i s ALA 20 Ca -0.10 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2b3i s ALA 20 Cb 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2b3i s ALA 20 CO 0.87 0.54 0.19 -1.17 0.00 0.00 0.00 175.76 176.19 2b3i s LEU 21 N -1.63 1.29 0.03 0.00 2.96 -0.66 -4.94 118.68 115.75 2b3i s LEU 21 Ca 0.13 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2b3i s LEU 21 Cb -0.10 0.76 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 2b3i s LEU 21 CO 0.04 -0.22 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.17 2b3i s SER 22 N -0.57 1.58 0.22 3.68 0.15 -1.26 -0.64 113.70 116.86 2b3i s SER 22 Ca -0.07 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 2b3i s SER 22 Cb -0.04 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2b3i s SER 22 CO 0.01 0.03 0.38 2.30 1.20 0.00 0.00 173.24 177.16 2b3i n ILE 23 N 1.96 0.00 -4.57 6.45 -5.35 0.51 -4.85 119.36 113.51 2b3i n ILE 23 Ca -0.18 -0.83 -0.26 0.00 -0.27 0.00 0.00 62.75 61.22 2b3i n ILE 23 Cb 0.55 0.62 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 2b3i n ILE 23 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2b3i s SER 24 N -2.27 3.37 -0.43 7.28 0.01 -1.26 0.19 113.70 120.59 2b3i s SER 24 Ca 0.13 -1.39 -0.27 0.00 1.31 0.00 0.00 55.95 55.73 2b3i s SER 24 Cb -0.02 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2b3i s SER 24 CO 0.10 -0.52 1.90 0.00 0.41 0.00 0.00 173.24 175.12 2b3i s ALA 25 N -2.92 2.50 0.00 1.44 0.00 -1.26 -1.27 121.76 120.26 2b3i s ALA 25 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2b3i s ALA 25 Cb 0.09 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2b3i s ALA 25 CO 0.17 -3.25 0.00 0.41 0.00 0.00 0.00 175.76 173.09 2b3i n GLY 26 N 5.59 1.14 3.92 0.00 0.00 -0.89 -4.95 105.19 109.99 2b3i n GLY 26 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.24 3.95 0.14 1.61 1.11 -0.40 -4.84 116.67 117.00 2b3i s ASP 27 Ca 0.00 0.51 0.08 0.00 0.18 0.00 0.00 52.55 53.31 2b3i s ASP 27 Cb 0.00 -0.82 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 2b3i s ASP 27 CO 0.00 -2.22 -0.17 -0.89 1.18 0.00 0.00 175.17 173.07 2b3i s THR 28 N -3.67 1.63 -0.31 -1.27 2.01 -1.26 -1.80 115.64 110.97 2b3i s THR 28 Ca 0.67 -1.79 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 2b3i s THR 28 Cb -0.08 -1.69 0.10 0.00 0.01 0.00 0.00 72.50 70.84 2b3i s THR 28 CO 0.50 -0.32 0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 2b3i s VAL 29 N -1.96 1.08 0.69 3.82 1.01 0.17 0.61 120.40 125.81 2b3i s VAL 29 Ca 0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 2b3i s VAL 29 Cb -0.06 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2b3i s VAL 29 CO 0.05 -0.63 1.07 -0.70 0.00 0.00 0.00 175.10 174.89 2b3i s GLU 30 N 1.52 2.94 -0.08 2.72 2.12 0.19 -3.03 118.70 125.08 2b3i s GLU 30 Ca 0.09 0.45 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 2b3i s GLU 30 Cb -0.18 -2.05 0.04 0.00 0.26 0.00 0.00 34.13 32.21 2b3i s GLU 30 CO -0.22 -0.96 0.16 -0.06 -0.54 0.00 0.00 175.26 173.64 2b3i s PHE 31 N -3.31 -0.18 0.06 5.30 0.40 -0.75 0.18 117.98 119.68 2b3i s PHE 31 Ca 0.57 0.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.54 2b3i s PHE 31 Cb -0.11 -0.19 -0.03 0.00 0.51 0.00 0.00 43.02 43.20 2b3i s PHE 31 CO 0.51 -0.24 -0.15 0.54 0.70 0.00 0.00 175.22 176.59 2b3i s VAL 32 N 1.92 1.15 -0.28 -0.44 0.11 -0.37 -1.58 120.40 120.91 2b3i s VAL 32 Ca -0.01 -1.22 -0.18 0.00 -2.93 0.00 0.00 61.98 57.63 2b3i s VAL 32 Cb -0.12 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2b3i s VAL 32 CO -0.06 -0.14 0.54 -0.04 -3.33 0.00 0.00 175.10 172.07 2b3i s MET 33 N -1.56 3.98 -0.04 1.54 -1.94 -1.26 0.09 119.30 120.11 2b3i s MET 33 Ca -0.00 0.26 -0.01 0.00 -1.71 0.00 0.00 55.69 54.23 2b3i s MET 33 Cb -0.09 -3.69 -0.01 0.00 2.01 0.00 0.00 34.83 33.05 2b3i s MET 33 CO 0.02 -0.43 0.08 -0.91 -0.01 0.00 0.00 175.02 173.76 2b3i h ASN 34 N 8.10 -0.03 -0.80 3.03 4.21 -0.55 -3.42 115.58 126.12 2b3i h ASN 34 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2b3i h ASN 34 Cb 1.13 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2b3i h ASN 34 CO 0.74 0.17 0.02 2.29 -1.29 0.00 0.00 177.43 179.36 2b3i n LYS 35 N -3.19 0.03 -3.77 0.81 0.00 -1.10 -5.01 118.16 105.93 2b3i n LYS 35 Ca -0.00 -0.06 -0.32 0.00 -0.00 0.00 0.00 58.31 57.92 2b3i n LYS 35 Cb 0.01 0.08 0.03 0.00 -0.00 0.00 0.00 35.03 35.16 2b3i n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2b3i n VAL 36 N -0.02 -5.08 -3.18 0.58 0.31 -1.26 -4.44 118.33 105.23 2b3i n VAL 36 Ca -0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 2b3i n VAL 36 Cb 0.02 -3.86 0.00 0.00 -0.91 0.00 0.00 33.84 29.09 2b3i n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b3i n GLY 37 N -1.77 4.91 3.22 2.92 0.00 -1.26 -4.75 105.19 108.46 2b3i n GLY 37 Ca -0.13 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.14 -2.00 -1.09 1.61 -0.04 -1.26 -5.16 135.00 126.93 2b3i n PRO 38 Ca 0.00 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2b3i n PRO 38 Cb 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -4.08 0.00 -3.63 0.54 8.25 -1.26 -4.89 115.22 110.15 2b3i n HIS 39 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.58 2b3i n HIS 39 Cb 0.51 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 2b3i n HIS 39 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2b3i s ASN 40 N -0.09 -0.14 -0.30 0.41 2.20 -1.26 -3.16 114.94 112.60 2b3i s ASN 40 Ca 0.00 -0.15 -0.06 0.00 -0.94 0.00 0.00 52.86 51.71 2b3i s ASN 40 Cb 0.00 0.26 0.02 0.00 -2.00 0.00 0.00 41.25 39.52 2b3i s ASN 40 CO 0.00 -0.46 0.08 -0.69 -2.94 0.00 0.00 177.10 173.09 2b3i s VAL 41 N -2.70 3.85 -0.44 3.54 1.01 -1.13 -4.65 120.40 119.87 2b3i s VAL 41 Ca 0.12 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2b3i s VAL 41 Cb 0.01 -3.02 0.22 0.00 0.00 0.00 0.00 36.38 33.59 2b3i s VAL 41 CO -0.03 0.03 0.48 -0.38 0.00 0.00 0.00 175.10 175.20 2b3i n ILE 42 N 4.84 -0.44 -0.83 2.22 2.08 -1.21 0.18 119.36 126.19 2b3i n ILE 42 Ca -0.14 -3.98 -0.34 0.00 0.56 0.00 0.00 62.75 58.85 2b3i n ILE 42 Cb 0.47 -1.88 0.11 0.00 -0.75 0.00 0.00 39.64 37.59 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 1.88 -2.30 -0.03 1.39 3.72 -1.26 -3.26 117.46 117.60 2b3i n PHE 43 Ca 0.25 0.19 -0.02 0.00 -0.05 0.00 0.00 57.45 57.82 2b3i n PHE 43 Cb 0.49 -1.62 -0.01 0.00 -0.94 0.00 0.00 39.48 37.40 2b3i n PHE 43 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2b3i n ASP 44 N 0.13 0.79 -3.57 4.37 -0.08 0.13 -4.77 116.55 113.55 2b3i n ASP 44 Ca 0.03 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.59 2b3i n ASP 44 Cb 0.58 -0.65 -0.03 0.00 2.34 0.00 0.00 41.12 43.36 2b3i n ASP 44 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2b3i s LYS 45 N -1.60 0.52 0.01 -0.67 1.02 -1.22 -4.78 119.74 113.03 2b3i s LYS 45 Ca -0.08 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2b3i s LYS 45 Cb 0.01 0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2b3i s LYS 45 CO 0.11 -0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.34 2b3i s VAL 46 N -1.94 0.62 1.10 3.17 1.01 -1.26 -3.31 120.40 119.79 2b3i s VAL 46 Ca 0.04 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2b3i s VAL 46 Cb -0.01 -0.57 0.26 0.00 0.00 0.00 0.00 36.38 36.06 2b3i s VAL 46 CO -0.04 -0.02 1.23 -2.16 0.00 0.00 0.00 175.10 174.12 2b3i s PRO 47 N -0.69 -0.47 0.75 2.72 0.04 -1.26 -4.70 135.00 131.39 2b3i s PRO 47 Ca -0.01 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.71 2b3i s PRO 47 Cb -0.05 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2b3i s PRO 47 CO 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 177.00 173.88 2b3i n ALA 48 N -4.32 -0.83 -0.90 8.56 0.00 -1.26 -3.89 120.51 117.87 2b3i n ALA 48 Ca 0.15 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 2b3i n ALA 48 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.25 3.65 1.01 0.00 0.00 -1.26 -4.89 105.19 102.45 2b3i n GLY 49 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 0.92 0.03 -3.59 1.61 0.00 -1.25 -5.05 120.64 113.30 2b3i n GLU 50 Ca 0.27 -0.62 -0.27 0.00 0.00 0.00 0.00 57.16 56.54 2b3i n GLU 50 Cb 0.59 -0.27 -0.10 0.00 0.00 0.00 0.00 31.44 31.66 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2b3i n SER 51 N -3.11 2.68 0.20 4.31 7.64 -1.26 -4.92 113.62 119.16 2b3i n SER 51 Ca 0.04 -3.17 -0.15 0.00 1.01 0.00 0.00 58.87 56.61 2b3i n SER 51 Cb 0.15 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.58 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 4.81 -0.48 0.00 -0.43 0.00 -1.95 -2.68 119.26 118.53 2b3i h ALA 52 Ca 0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2b3i h ALA 52 Cb 0.74 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2b3i h ALA 52 CO 0.70 -0.69 0.08 -0.35 0.00 0.00 0.00 179.25 179.00 2b3i n PRO 53 N -5.23 1.59 0.00 0.00 -0.04 -1.26 -2.71 135.00 127.35 2b3i n PRO 53 Ca -0.10 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2b3i n PRO 53 Cb 0.25 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 2.72 0.43 0.29 0.55 0.00 -1.16 -4.88 120.51 118.47 2b3i n ALA 54 Ca 0.34 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.92 2b3i n ALA 54 Cb 0.65 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.97 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 -9.43 0.00 3.38 -1.27 -3.41 115.31 104.59 2b3i h LEU 55 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2b3i h LEU 55 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2b3i h LEU 55 CO 0.00 0.00 0.84 -0.94 0.09 0.00 0.00 178.44 178.43 2b3i s SER 56 N -6.32 6.80 -0.25 -0.43 1.04 -1.24 -4.86 113.70 108.43 2b3i s SER 56 Ca -0.05 2.23 0.02 0.00 0.48 0.00 0.00 55.95 58.63 2b3i s SER 56 Cb 0.15 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.76 2b3i s SER 56 CO 0.57 -0.74 -0.10 0.21 0.98 0.00 0.00 173.24 174.16 2b3i s ASN 57 N 1.81 4.34 -0.26 7.02 3.84 0.49 -4.92 114.94 127.25 2b3i s ASN 57 Ca 0.66 -1.24 -0.02 0.00 0.21 0.00 0.00 52.86 52.46 2b3i s ASN 57 Cb -0.34 -1.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.85 2b3i s ASN 57 CO 0.28 -0.17 2.47 1.07 -2.79 0.00 0.00 177.10 177.97 2b3i n THR 58 N 4.50 2.84 -3.59 -5.21 5.66 -1.26 -2.85 114.28 114.38 2b3i n THR 58 Ca -0.15 -1.82 -0.33 0.00 -3.05 0.00 0.00 64.05 58.70 2b3i n THR 58 Cb 0.44 -1.54 -0.07 0.00 -1.55 0.00 0.00 70.33 67.61 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 1.01 2.62 -1.67 1.09 4.81 -1.26 -5.05 118.16 119.71 2b3i n LYS 59 Ca 0.33 -4.54 -0.54 0.00 -0.87 0.00 0.00 58.31 52.69 2b3i n LYS 59 Cb 0.61 -2.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 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 1.78 2.35 -4.27 3.14 -0.00 -1.26 -4.91 117.00 113.83 2b3i n LEU 60 Ca 0.24 1.08 -0.34 0.00 -0.00 0.00 0.00 56.01 56.98 2b3i n LEU 60 Cb 0.37 -1.21 -0.15 0.00 -0.00 0.00 0.00 43.42 42.44 2b3i n LEU 60 CO 0.39 -0.56 -0.43 0.00 -0.00 0.00 0.00 177.39 176.78 2b3i s ALA 61 N 2.46 2.66 -0.11 1.47 0.00 -1.19 -4.99 121.76 122.07 2b3i s ALA 61 Ca 0.92 -1.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 2b3i s ALA 61 Cb -0.96 -1.49 -0.27 0.00 0.00 0.00 0.00 23.12 20.41 2b3i s ALA 61 CO 0.56 -0.29 0.66 0.97 0.00 0.00 0.00 175.76 177.66 2b3i h ILE 62 N 5.71 1.32 0.00 0.00 6.09 -1.91 -3.38 117.51 125.34 2b3i h ILE 62 Ca -0.40 -2.40 -0.48 0.00 -1.37 0.00 0.00 64.86 60.21 2b3i h ILE 62 Cb 1.16 2.94 -0.09 0.00 0.47 0.00 0.00 36.82 41.31 2b3i h ILE 62 CO 0.60 0.64 1.71 0.00 -3.07 0.00 0.00 178.15 178.03 2b3i n ALA 63 N -2.86 0.30 -2.09 0.18 0.00 -1.26 -4.81 120.51 109.97 2b3i n ALA 63 Ca -0.19 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 2b3i n ALA 63 Cb 0.76 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 2b3i n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b3i s PRO 64 N 8.64 4.57 0.00 0.00 0.04 -1.26 -4.54 135.00 142.45 2b3i s PRO 64 Ca 1.31 1.74 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2b3i s PRO 64 Cb -1.21 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2b3i s PRO 64 CO 0.48 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.95 2b3i n GLY 65 N 2.14 -0.34 0.00 0.56 0.00 -1.26 -5.08 105.19 101.21 2b3i n GLY 65 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2b3i n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b3i n SER 66 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.76 113.62 112.09 2b3i n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2b3i n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2b3i n SER 66 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2b3i n PHE 67 N 0.00 0.00 -3.80 0.66 3.72 -0.62 -4.93 117.46 112.49 2b3i n PHE 67 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2b3i n PHE 67 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2b3i n PHE 67 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2b3i s TYR 68 N -0.55 -0.02 0.20 1.38 1.13 -1.19 -5.04 117.35 113.26 2b3i s TYR 68 Ca 0.00 -0.25 0.11 0.00 -1.41 0.00 0.00 57.07 55.52 2b3i s TYR 68 Cb 0.00 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 2b3i s TYR 68 CO 0.00 -0.65 -0.23 -1.54 -2.51 0.00 0.00 175.55 170.62 2b3i s SER 69 N -3.24 3.33 -0.05 -0.18 1.04 -1.26 -1.81 113.70 111.53 2b3i s SER 69 Ca 0.19 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 2b3i s SER 69 Cb -0.00 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2b3i s SER 69 CO 0.01 0.09 0.14 0.68 0.98 0.00 0.00 173.24 175.14 2b3i s VAL 70 N -1.81 -0.02 -0.25 5.02 -7.23 -1.17 -4.98 120.40 109.96 2b3i s VAL 70 Ca 0.21 0.06 -0.13 0.00 -1.81 0.00 0.00 61.98 60.32 2b3i s VAL 70 Cb -0.07 -0.21 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 2b3i s VAL 70 CO 0.10 0.03 0.26 -0.89 -0.31 0.00 0.00 175.10 174.28 2b3i s THR 71 N 0.46 5.28 0.50 5.32 2.01 -1.26 -0.65 115.64 127.29 2b3i s THR 71 Ca -0.03 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.40 2b3i s THR 71 Cb -0.05 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.91 2b3i s THR 71 CO -0.02 0.26 0.68 -0.76 -0.69 0.00 0.00 174.62 174.10 2b3i s LEU 72 N 1.50 3.42 0.14 4.42 2.01 -0.75 -4.99 118.68 124.43 2b3i s LEU 72 Ca 0.11 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2b3i s LEU 72 Cb -0.15 -2.37 0.00 0.00 0.01 0.00 0.00 46.19 43.68 2b3i s LEU 72 CO 0.08 -1.03 0.00 0.61 1.01 0.00 0.00 176.35 177.02 2b3i n GLY 73 N -2.08 -1.08 3.29 -3.19 0.00 -1.26 -2.10 105.19 98.78 2b3i n GLY 73 Ca 0.11 0.22 -0.56 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.85 0.00 -2.51 2.61 -1.04 -1.26 -4.19 114.28 105.04 2b3i n THR 74 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2b3i n THR 74 Cb 0.00 -0.06 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.35 4.55 0.00 -2.82 0.04 -1.26 -4.70 135.00 131.16 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 -1.21 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2b3i s PRO 75 CO 0.56 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.17 2b3i n GLY 76 N 1.02 0.14 3.59 0.56 0.00 -1.20 -4.86 105.19 104.45 2b3i n GLY 76 Ca 0.00 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.26 4.79 -0.11 2.61 2.01 -1.26 -1.36 115.64 121.06 2b3i s THR 77 Ca 0.00 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2b3i s THR 77 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2b3i s THR 77 CO 0.00 0.40 0.11 -0.31 -0.69 0.00 0.00 174.62 174.14 2b3i s TYR 78 N 0.82 3.51 0.10 4.92 1.51 0.53 -4.57 117.35 124.18 2b3i s TYR 78 Ca 0.04 0.46 0.10 0.00 -1.01 0.00 0.00 57.07 56.66 2b3i s TYR 78 Cb -0.13 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2b3i s TYR 78 CO 0.02 0.68 -0.25 -1.54 -1.11 0.00 0.00 175.55 173.36 2b3i s SER 79 N -1.02 3.40 0.39 2.29 1.04 -1.21 -0.70 113.70 117.89 2b3i s SER 79 Ca 0.15 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 2b3i s SER 79 Cb -0.12 -0.32 0.05 0.00 0.10 0.00 0.00 66.02 65.73 2b3i s SER 79 CO 0.04 0.21 0.74 0.72 0.98 0.00 0.00 173.24 175.92 2b3i s PHE 80 N -1.00 0.36 0.34 5.02 -0.71 -1.06 0.17 117.98 121.10 2b3i s PHE 80 Ca 0.14 -0.97 -0.17 0.00 -1.04 0.00 0.00 56.93 54.89 2b3i s PHE 80 Cb -0.10 0.66 0.06 0.00 -1.21 0.00 0.00 43.02 42.43 2b3i s PHE 80 CO 0.06 -1.53 0.83 1.52 -1.34 0.00 0.00 175.22 174.76 2b3i s TYR 81 N -2.26 0.08 -0.37 3.49 -0.85 -1.20 -3.46 117.35 112.78 2b3i s TYR 81 Ca 0.19 -0.69 0.02 0.00 -0.52 0.00 0.00 57.07 56.07 2b3i s TYR 81 Cb -0.04 0.80 0.11 0.00 0.38 0.00 0.00 41.96 43.21 2b3i s TYR 81 CO 0.14 -1.42 0.12 0.00 -1.52 0.00 0.00 175.55 172.88 2b3i n THR 83 N 4.19 -0.28 -2.45 0.00 -1.04 -1.26 -2.33 114.28 111.11 2b3i n THR 83 Ca 0.03 1.06 -0.42 0.00 -2.04 0.00 0.00 64.05 62.68 2b3i n THR 83 Cb 0.39 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.54 2b3i n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2b3i s PRO 84 N -5.29 4.40 0.00 -2.82 0.04 -1.26 -2.32 135.00 127.75 2b3i s PRO 84 Ca -0.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2b3i s PRO 84 Cb 0.06 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2b3i s PRO 84 CO 0.29 -0.34 0.00 0.72 0.04 0.00 0.00 177.00 177.71 2b3i n HIS 85 N 4.55 0.00 -0.32 0.56 8.25 -1.25 -4.89 115.22 122.11 2b3i n HIS 85 Ca 0.10 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.80 2b3i n HIS 85 Cb 0.46 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.04 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 3.37 0.14 -0.06 -0.41 0.11 -1.05 1.67 114.38 118.14 2b3i h ARG 86 Ca 0.00 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.91 2b3i h ARG 86 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 2b3i h ARG 86 CO 0.00 0.09 -0.68 0.78 0.10 0.00 0.00 179.97 180.26 2b3i h GLY 87 N 0.14 0.31 2.00 0.08 0.00 -1.88 -2.65 103.07 101.07 2b3i h GLY 87 Ca 0.73 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2b3i h GLY 87 CO -0.72 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.20 2b3i n ALA 88 N -2.48 1.26 -0.66 3.60 0.00 0.56 -4.85 120.51 117.93 2b3i n ALA 88 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2b3i n ALA 88 Cb 0.67 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.87 0.11 2.54 0.00 0.00 -0.66 -4.93 105.19 101.38 2b3i n GLY 89 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.23 0.81 -4.47 1.61 0.00 -1.25 -4.45 117.12 109.14 2b3i n MET 90 Ca 0.00 -3.64 -0.26 0.00 0.00 0.00 0.00 57.70 53.80 2b3i n MET 90 Cb 0.01 -1.86 -0.13 0.00 0.00 0.00 0.00 33.22 31.24 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 -0.58 1.89 0.09 1.12 -7.23 -1.26 -2.94 120.40 111.49 2b3i s VAL 91 Ca 0.31 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 2b3i s VAL 91 Cb 0.03 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.30 2b3i s VAL 91 CO -0.18 0.09 0.25 -0.83 -0.31 0.00 0.00 175.10 174.12 2b3i s GLY 92 N -1.69 -0.01 0.11 2.32 0.00 -1.22 -4.52 107.32 102.31 2b3i s GLY 92 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.40 2b3i s GLY 92 CO 0.04 -0.64 -0.07 -1.59 0.00 0.00 0.00 173.10 170.83 2b3i s THR 93 N -3.72 0.81 -0.08 0.90 2.01 -0.58 -2.56 115.64 112.42 2b3i s THR 93 Ca 0.03 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.03 2b3i s THR 93 Cb 0.04 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2b3i s THR 93 CO -0.11 -0.84 0.19 -0.63 -0.69 0.00 0.00 174.62 172.54 2b3i s ILE 94 N -3.55 -0.04 0.06 1.82 1.01 0.12 -1.65 121.20 118.97 2b3i s ILE 94 Ca 0.13 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2b3i s ILE 94 Cb 0.05 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 2b3i s ILE 94 CO -0.03 0.06 -0.12 -0.89 0.00 0.00 0.00 174.94 173.95 2b3i s THR 95 N 1.05 3.22 -0.59 2.92 2.01 0.19 0.20 115.64 124.63 2b3i s THR 95 Ca -0.08 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 60.85 2b3i s THR 95 Cb -0.10 -2.43 0.18 0.00 0.01 0.00 0.00 72.50 70.17 2b3i s THR 95 CO -0.06 0.26 0.48 0.52 -0.69 0.00 0.00 174.62 175.13 2b3i n VAL 96 N 1.23 0.72 1.92 3.82 0.31 -0.46 0.19 118.33 126.05 2b3i n VAL 96 Ca -0.15 -4.42 0.15 0.00 -0.01 0.00 0.00 64.34 59.91 2b3i n VAL 96 Cb 0.52 -2.00 0.91 0.00 -0.91 0.00 0.00 33.84 32.36 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72