#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 -6.39 -4.85 0.00 7.64 -1.25 -4.96 113.62 103.80 2b3i n SER 2 Ca 0.00 0.58 -0.27 0.00 1.01 0.00 0.00 58.87 60.19 2b3i n SER 2 Cb 0.00 -4.22 -0.03 0.00 -1.01 0.00 0.00 64.21 58.95 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2b3i s VAL 3 N -1.91 1.66 0.08 0.44 -7.23 -0.53 -4.99 120.40 107.93 2b3i s VAL 3 Ca 0.13 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2b3i s VAL 3 Cb -0.04 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2b3i s VAL 3 CO 0.57 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 175.48 2b3i s GLN 4 N -4.15 0.79 -0.14 4.82 -2.07 -1.26 0.13 119.66 117.78 2b3i s GLN 4 Ca 0.29 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 2b3i s GLN 4 Cb -0.01 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.24 2b3i s GLN 4 CO 0.18 -0.23 -0.12 0.42 -1.32 0.00 0.00 175.29 174.22 2b3i s ILE 5 N -3.89 1.42 -0.21 3.63 -1.09 0.40 -4.51 121.20 116.95 2b3i s ILE 5 Ca 0.07 -0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 2b3i s ILE 5 Cb 0.06 -1.38 -0.05 0.00 -1.58 0.00 0.00 42.46 39.51 2b3i s ILE 5 CO -0.10 0.40 0.16 -0.54 -1.23 0.00 0.00 174.94 173.63 2b3i s LYS 6 N 1.54 4.16 -0.51 2.79 1.02 0.50 0.36 119.74 129.61 2b3i s LYS 6 Ca 0.04 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 2b3i s LYS 6 Cb -0.13 -3.45 0.10 0.00 -0.52 0.00 0.00 37.83 33.82 2b3i s LYS 6 CO -0.10 0.23 0.46 -1.64 -0.92 0.00 0.00 175.35 173.38 2b3i s MET 7 N 0.57 2.99 0.00 1.68 -1.94 0.41 0.46 119.30 123.47 2b3i s MET 7 Ca 0.09 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 2b3i s MET 7 Cb -0.12 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.52 2b3i s MET 7 CO 0.00 -1.18 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 2b3i n GLY 8 N 5.22 2.58 3.76 -0.03 0.00 0.13 -0.26 105.19 116.60 2b3i n GLY 8 Ca -0.13 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.69 3.24 -0.58 2.61 -4.23 0.13 -4.43 115.64 110.70 2b3i s THR 9 Ca 0.00 -1.62 0.15 0.00 -1.18 0.00 0.00 61.69 59.04 2b3i s THR 9 Cb 0.00 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.95 2b3i s THR 9 CO 0.00 -0.20 1.47 -0.67 -0.54 0.00 0.00 174.62 174.68 2b3i n ASP 10 N -1.19 0.36 -1.89 3.99 2.03 -1.26 -1.87 116.55 116.73 2b3i n ASP 10 Ca -0.03 0.64 -0.18 0.00 0.52 0.00 0.00 54.79 55.74 2b3i n ASP 10 Cb 0.61 -0.69 0.05 0.00 -0.72 0.00 0.00 41.12 40.37 2b3i n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2b3i n LYS 11 N -1.95 1.86 -2.24 -0.67 5.02 -1.26 -4.81 118.16 114.11 2b3i n LYS 11 Ca 0.00 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 2b3i n LYS 11 Cb 0.09 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2b3i n TYR 12 N 0.09 -1.78 -3.61 2.13 4.02 -0.78 -4.84 117.16 112.39 2b3i n TYR 12 Ca 0.33 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.83 2b3i n TYR 12 Cb 0.70 -0.93 -0.11 0.00 -0.02 0.00 0.00 39.34 38.98 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 -1.78 3.37 -1.08 -0.72 0.00 -1.23 -4.89 121.76 115.44 2b3i s ALA 13 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.40 2b3i s ALA 13 Cb 0.00 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 2b3i s ALA 13 CO 0.00 -0.86 1.75 -1.25 0.00 0.00 0.00 175.76 175.40 2b3i s PRO 14 N 1.66 3.16 0.02 0.00 0.04 -1.26 -0.69 135.00 137.93 2b3i s PRO 14 Ca 0.05 -1.07 -0.06 0.00 0.04 0.00 0.00 61.00 59.96 2b3i s PRO 14 Cb -0.17 -5.29 -0.01 0.00 0.04 0.00 0.00 34.50 29.08 2b3i s PRO 14 CO 0.08 -2.91 0.12 -0.48 0.04 0.00 0.00 177.00 173.85 2b3i s LEU 15 N 7.50 1.68 0.26 -3.56 0.05 -1.26 -4.04 118.68 119.31 2b3i s LEU 15 Ca 0.59 -0.39 -0.30 0.00 0.05 0.00 0.00 54.13 54.08 2b3i s LEU 15 Cb -0.01 0.64 -0.09 0.00 -2.05 0.00 0.00 46.19 44.68 2b3i s LEU 15 CO 0.01 -0.45 1.06 -0.31 -0.55 0.00 0.00 176.35 176.11 2b3i s TYR 16 N -2.09 3.67 -0.08 3.48 2.02 -1.26 0.22 117.35 123.31 2b3i s TYR 16 Ca -0.09 1.74 -0.03 0.00 -0.37 0.00 0.00 57.07 58.32 2b3i s TYR 16 Cb -0.04 -3.21 0.04 0.00 -0.40 0.00 0.00 41.96 38.35 2b3i s TYR 16 CO -0.02 -0.32 0.17 -2.00 -1.57 0.00 0.00 175.55 171.81 2b3i s GLU 17 N -1.30 0.09 0.92 -0.62 2.12 0.17 -3.55 118.70 116.54 2b3i s GLU 17 Ca 0.44 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 56.12 2b3i s GLU 17 Cb -0.30 -0.19 0.15 0.00 0.26 0.00 0.00 34.13 34.04 2b3i s GLU 17 CO 0.39 -0.22 1.14 -1.25 -0.54 0.00 0.00 175.26 174.78 2b3i s PRO 18 N 1.60 1.03 0.10 4.30 0.04 -1.26 0.19 135.00 140.99 2b3i s PRO 18 Ca -0.05 0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.13 2b3i s PRO 18 Cb -0.12 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 2b3i s PRO 18 CO -0.06 -2.27 1.27 -0.22 0.04 0.00 0.00 177.00 175.76 2b3i h LYS 19 N -1.55 0.65 -6.70 4.56 3.64 -1.84 -3.45 116.57 111.88 2b3i h LYS 19 Ca -0.50 -0.62 -0.69 0.00 -1.27 0.00 0.00 60.65 57.56 2b3i h LYS 19 Cb 1.33 0.16 -0.26 0.00 -0.41 0.00 0.00 32.23 33.04 2b3i h LYS 19 CO 0.60 1.23 -0.87 0.00 -2.27 0.00 0.00 179.45 178.14 2b3i s ALA 20 N -3.47 2.30 -0.04 5.00 0.00 -1.26 -1.67 121.76 122.62 2b3i s ALA 20 Ca -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2b3i s ALA 20 Cb 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2b3i s ALA 20 CO 0.90 0.54 0.13 -1.17 0.00 0.00 0.00 175.76 176.16 2b3i s LEU 21 N -1.22 1.53 0.02 0.00 2.96 -0.84 -4.94 118.68 116.21 2b3i s LEU 21 Ca 0.12 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2b3i s LEU 21 Cb -0.10 0.49 -0.02 0.00 0.50 0.00 0.00 46.19 47.07 2b3i s LEU 21 CO 0.02 -0.13 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.26 2b3i s SER 22 N -0.33 1.29 0.25 3.68 0.15 -1.26 -0.67 113.70 116.80 2b3i s SER 22 Ca -0.04 -0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 2b3i s SER 22 Cb -0.03 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2b3i s SER 22 CO 0.00 0.02 0.42 2.30 1.20 0.00 0.00 173.24 177.18 2b3i n ILE 23 N 2.19 0.00 -4.44 6.45 -5.35 0.54 -4.59 119.36 114.16 2b3i n ILE 23 Ca -0.17 -0.96 -0.26 0.00 -0.27 0.00 0.00 62.75 61.09 2b3i n ILE 23 Cb 0.56 0.70 -0.10 0.00 -1.74 0.00 0.00 39.64 39.06 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 -2.42 4.05 -0.48 7.28 0.01 -1.26 0.11 113.70 120.99 2b3i s SER 24 Ca 0.16 -1.21 -0.27 0.00 1.31 0.00 0.00 55.95 55.93 2b3i s SER 24 Cb -0.02 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2b3i s SER 24 CO 0.11 -0.41 1.97 0.00 0.41 0.00 0.00 173.24 175.33 2b3i s ALA 25 N -2.64 2.32 0.00 1.44 0.00 -1.26 -1.12 121.76 120.50 2b3i s ALA 25 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2b3i s ALA 25 Cb 0.06 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2b3i s ALA 25 CO 0.19 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 172.82 2b3i n GLY 26 N 5.67 1.01 3.88 0.00 0.00 -0.86 -4.92 105.19 109.97 2b3i n GLY 26 Ca 0.25 0.00 -0.30 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 -1.04 3.23 0.17 1.61 1.11 -0.27 -4.76 116.67 116.73 2b3i s ASP 27 Ca 0.00 0.49 0.07 0.00 0.18 0.00 0.00 52.55 53.29 2b3i s ASP 27 Cb 0.00 -0.70 -0.04 0.00 1.07 0.00 0.00 42.92 43.25 2b3i s ASP 27 CO 0.00 -2.68 -0.14 -0.89 1.18 0.00 0.00 175.17 172.64 2b3i s THR 28 N -3.67 1.58 -0.17 -1.27 2.01 -1.26 -1.49 115.64 111.37 2b3i s THR 28 Ca 0.70 -2.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 2b3i s THR 28 Cb -0.07 -1.89 0.05 0.00 0.01 0.00 0.00 72.50 70.61 2b3i s THR 28 CO 0.52 -0.55 0.05 -0.69 -0.69 0.00 0.00 174.62 173.26 2b3i s VAL 29 N -2.75 0.30 0.60 3.82 1.01 0.15 -1.45 120.40 122.07 2b3i s VAL 29 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2b3i s VAL 29 Cb -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.59 2b3i s VAL 29 CO 0.05 -0.16 0.88 -0.70 0.00 0.00 0.00 175.10 175.18 2b3i s GLU 30 N 1.97 2.70 -0.08 2.72 2.12 0.12 -2.56 118.70 125.68 2b3i s GLU 30 Ca 0.01 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 2b3i s GLU 30 Cb -0.16 -2.31 0.04 0.00 0.26 0.00 0.00 34.13 31.96 2b3i s GLU 30 CO -0.08 -0.79 0.20 -0.06 -0.54 0.00 0.00 175.26 173.99 2b3i s PHE 31 N -2.97 -0.24 0.07 5.30 0.40 -0.30 0.15 117.98 120.38 2b3i s PHE 31 Ca 0.55 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 2b3i s PHE 31 Cb -0.10 -0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.38 2b3i s PHE 31 CO 0.43 -0.19 -0.06 0.54 0.70 0.00 0.00 175.22 176.64 2b3i s VAL 32 N 1.14 0.50 -0.49 -0.44 0.11 0.16 -2.73 120.40 118.65 2b3i s VAL 32 Ca -0.09 -1.59 -0.15 0.00 -2.93 0.00 0.00 61.98 57.22 2b3i s VAL 32 Cb -0.10 -1.23 0.09 0.00 -1.53 0.00 0.00 36.38 33.61 2b3i s VAL 32 CO -0.07 -0.74 0.42 -0.04 -3.33 0.00 0.00 175.10 171.34 2b3i s MET 33 N -3.04 2.96 0.00 1.54 -1.94 -1.26 -0.44 119.30 117.12 2b3i s MET 33 Ca 0.02 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.54 2b3i s MET 33 Cb 0.00 -4.17 0.00 0.00 2.01 0.00 0.00 34.83 32.68 2b3i s MET 33 CO -0.04 -1.12 0.98 0.09 -0.01 0.00 0.00 175.02 174.92 2b3i n ASN 34 N 5.20 0.00 -0.19 3.03 4.13 0.64 -4.64 115.26 123.43 2b3i n ASN 34 Ca -0.13 0.98 0.00 0.00 1.68 0.00 0.00 54.58 57.11 2b3i n ASN 34 Cb 0.43 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2b3i n ASN 34 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2b3i n LYS 35 N -2.00 0.00 -4.12 3.52 2.85 -1.01 -5.00 118.16 112.41 2b3i n LYS 35 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2b3i n LYS 35 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2b3i n LYS 35 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2b3i n VAL 36 N 0.00 -1.81 -1.22 0.58 3.14 -1.26 -4.40 118.33 113.36 2b3i n VAL 36 Ca 0.00 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2b3i n VAL 36 Cb 0.00 -2.06 0.00 0.00 -1.06 0.00 0.00 33.84 30.72 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 -1.68 0.57 3.78 7.55 0.00 -1.26 -4.65 105.19 109.50 2b3i n GLY 37 Ca -0.08 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2b3i n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b3i s PRO 38 N 0.71 0.79 0.31 1.61 0.04 -1.26 -5.15 135.00 132.04 2b3i s PRO 38 Ca 0.00 0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.24 2b3i s PRO 38 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2b3i s PRO 38 CO 0.00 -2.41 0.21 -1.01 0.04 0.00 0.00 177.00 173.83 2b3i s HIS 39 N -3.32 1.62 0.24 0.56 3.76 -1.26 -4.91 115.29 111.98 2b3i s HIS 39 Ca 0.66 -1.50 -0.22 0.00 -0.15 0.00 0.00 55.06 53.85 2b3i s HIS 39 Cb -0.13 -0.78 0.03 0.00 1.11 0.00 0.00 32.58 32.82 2b3i s HIS 39 CO 0.54 -0.68 0.76 0.54 -0.85 0.00 0.00 174.74 175.05 2b3i s ASN 40 N -3.36 -0.27 -0.31 1.40 2.20 -1.26 -2.45 114.94 110.89 2b3i s ASN 40 Ca 0.37 -0.52 -0.03 0.00 -0.94 0.00 0.00 52.86 51.75 2b3i s ASN 40 Cb 0.04 0.67 0.05 0.00 -2.00 0.00 0.00 41.25 40.00 2b3i s ASN 40 CO 0.21 -1.22 0.02 -0.69 -2.94 0.00 0.00 177.10 172.48 2b3i s VAL 41 N -3.77 3.16 -0.38 3.54 1.01 -1.21 -4.69 120.40 118.06 2b3i s VAL 41 Ca 0.10 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.77 2b3i s VAL 41 Cb -0.05 -2.81 0.13 0.00 0.00 0.00 0.00 36.38 33.66 2b3i s VAL 41 CO 0.04 -0.12 0.21 -0.63 0.00 0.00 0.00 175.10 174.61 2b3i s ILE 42 N 1.29 0.68 1.05 2.22 -1.09 -1.21 -0.23 121.20 123.91 2b3i s ILE 42 Ca -0.04 -2.00 -0.13 0.00 -2.23 0.00 0.00 60.65 56.25 2b3i s ILE 42 Cb -0.20 -1.49 0.18 0.00 -1.58 0.00 0.00 42.46 39.38 2b3i s ILE 42 CO -0.00 -0.92 0.84 0.49 -1.23 0.00 0.00 174.94 174.11 2b3i n PHE 43 N 3.93 -0.61 -0.13 3.97 3.01 -1.26 -2.60 117.46 123.77 2b3i n PHE 43 Ca 0.09 0.12 -0.26 0.00 1.01 0.00 0.00 57.45 58.41 2b3i n PHE 43 Cb 0.36 -1.79 -0.09 0.00 -0.01 0.00 0.00 39.48 37.95 2b3i n PHE 43 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2b3i n ASP 44 N -3.78 1.95 0.00 4.37 -0.08 0.12 -4.77 116.55 114.35 2b3i n ASP 44 Ca 0.06 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2b3i n ASP 44 Cb 0.54 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.18 2b3i n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2b3i n LYS 45 N -4.30 0.00 -4.16 -0.67 5.02 -1.21 -4.82 118.16 108.01 2b3i n LYS 45 Ca -0.47 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.69 2b3i n LYS 45 Cb 0.81 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.72 2b3i n LYS 45 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2b3i s VAL 46 N -1.75 0.85 0.83 -0.18 -7.23 -1.26 -3.58 120.40 108.08 2b3i s VAL 46 Ca 0.00 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2b3i s VAL 46 Cb 0.00 -1.35 0.09 0.00 0.56 0.00 0.00 36.38 35.68 2b3i s VAL 46 CO 0.00 -0.61 1.11 -2.16 -0.31 0.00 0.00 175.10 173.13 2b3i s PRO 47 N -2.89 1.80 0.20 4.82 0.04 -1.26 -4.77 135.00 132.94 2b3i s PRO 47 Ca 0.05 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2b3i s PRO 47 Cb -0.02 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2b3i s PRO 47 CO -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 177.00 175.24 2b3i n ALA 48 N -3.53 -0.23 -0.98 8.56 0.00 -1.26 -4.16 120.51 118.91 2b3i n ALA 48 Ca 0.07 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 2b3i n ALA 48 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.03 3.95 0.74 0.00 0.00 -1.26 -4.92 105.19 102.67 2b3i n GLY 49 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 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 0.67 -0.49 -3.58 1.61 0.00 -1.26 -5.02 120.64 112.57 2b3i n GLU 50 Ca 0.32 -0.39 -0.27 0.00 0.00 0.00 0.00 57.16 56.82 2b3i n GLU 50 Cb 0.58 -0.28 -0.09 0.00 0.00 0.00 0.00 31.44 31.65 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 -3.21 3.21 -0.01 4.31 7.64 -1.26 -4.89 113.62 119.41 2b3i n SER 51 Ca 0.03 -3.30 -0.12 0.00 1.01 0.00 0.00 58.87 56.50 2b3i n SER 51 Cb 0.11 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 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 4.64 -0.07 0.00 -0.43 0.00 -1.95 0.40 119.26 121.85 2b3i h ALA 52 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2b3i h ALA 52 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2b3i h ALA 52 CO 0.76 -0.17 0.00 -0.35 0.00 0.00 0.00 179.25 179.50 2b3i n PRO 53 N -4.79 0.75 -0.08 0.00 -0.04 -1.26 -2.42 135.00 127.16 2b3i n PRO 53 Ca -0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2b3i n PRO 53 Cb 0.32 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.98 1.72 -0.16 0.55 0.00 -1.19 -4.52 120.51 115.94 2b3i n ALA 54 Ca 0.17 -0.66 0.01 0.00 0.00 0.00 0.00 53.44 52.95 2b3i n ALA 54 Cb 0.08 0.17 0.27 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.13 0.77 -9.32 0.00 3.38 -0.08 -3.42 115.31 106.51 2b3i h LEU 55 Ca -0.36 -0.04 -0.64 0.00 0.09 0.00 0.00 57.88 56.93 2b3i h LEU 55 Cb 1.50 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 42.09 2b3i h LEU 55 CO -0.10 0.60 0.90 -1.54 0.09 0.00 0.00 178.44 178.39 2b3i n SER 56 N -4.40 2.95 -4.05 -0.43 3.41 -1.02 -4.93 113.62 105.15 2b3i n SER 56 Ca 0.06 1.04 -0.29 0.00 -0.26 0.00 0.00 58.87 59.42 2b3i n SER 56 Cb 0.08 -1.33 -0.17 0.00 -0.26 0.00 0.00 64.21 62.54 2b3i n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b3i s ASN 57 N 2.66 2.58 -0.29 4.04 3.84 0.68 -4.96 114.94 123.49 2b3i s ASN 57 Ca 0.89 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 53.50 2b3i s ASN 57 Cb -0.78 -1.15 0.32 0.00 -0.55 0.00 0.00 41.25 39.08 2b3i s ASN 57 CO 0.50 -0.00 1.71 1.07 -2.79 0.00 0.00 177.10 177.58 2b3i n THR 58 N 4.37 2.47 -1.95 -5.21 5.66 -1.26 -3.36 114.28 115.00 2b3i n THR 58 Ca -0.18 -1.35 -0.36 0.00 -3.05 0.00 0.00 64.05 59.10 2b3i n THR 58 Cb 0.51 -0.95 -0.01 0.00 -1.55 0.00 0.00 70.33 68.33 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 -0.17 3.84 -1.52 1.09 4.81 -1.26 -4.99 118.16 119.96 2b3i n LYS 59 Ca 0.33 -3.36 -0.48 0.00 -0.87 0.00 0.00 58.31 53.94 2b3i n LYS 59 Cb 0.92 -2.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 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 0.81 0.64 -4.51 3.14 -0.00 -1.26 -4.92 117.00 110.90 2b3i n LEU 60 Ca 0.54 1.15 -0.37 0.00 -0.00 0.00 0.00 56.01 57.33 2b3i n LEU 60 Cb 0.34 -1.14 -0.12 0.00 -0.00 0.00 0.00 43.42 42.50 2b3i n LEU 60 CO 0.52 -1.91 -0.23 0.00 -0.00 0.00 0.00 177.39 175.77 2b3i s ALA 61 N -0.74 3.33 -0.07 1.47 0.00 -1.03 -4.97 121.76 119.75 2b3i s ALA 61 Ca 0.66 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 2b3i s ALA 61 Cb -0.85 -2.26 -0.27 0.00 0.00 0.00 0.00 23.12 19.74 2b3i s ALA 61 CO 0.56 -0.52 0.92 0.82 0.00 0.00 0.00 175.76 177.54 2b3i h ILE 62 N 5.47 1.60 -3.72 0.00 1.08 -1.91 -3.34 117.51 116.67 2b3i h ILE 62 Ca -0.37 -2.28 -0.49 0.00 -0.39 0.00 0.00 64.86 61.33 2b3i h ILE 62 Cb 1.18 3.08 -0.03 0.00 -3.07 0.00 0.00 36.82 37.99 2b3i h ILE 62 CO 0.57 0.63 0.15 0.00 -0.69 0.00 0.00 178.15 178.80 2b3i s ALA 63 N -2.63 3.31 0.79 1.87 0.00 -1.26 -4.85 121.76 118.99 2b3i s ALA 63 Ca -0.16 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 2b3i s ALA 63 Cb -0.00 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.31 2b3i s ALA 63 CO 0.77 0.29 1.10 -1.25 0.00 0.00 0.00 175.76 176.66 2b3i s PRO 64 N -2.55 2.12 0.00 0.00 0.04 -1.26 -4.86 135.00 128.49 2b3i s PRO 64 Ca 0.51 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2b3i s PRO 64 Cb -0.13 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2b3i s PRO 64 CO 0.19 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2b3i n GLY 65 N -2.11 -1.15 0.00 0.56 0.00 -1.26 -5.07 105.19 96.16 2b3i n GLY 65 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2b3i n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b3i n SER 66 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.72 113.62 112.65 2b3i n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2b3i n SER 66 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2b3i n SER 66 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2b3i n PHE 67 N 0.00 0.00 0.00 7.33 3.01 -1.10 -4.95 117.46 121.75 2b3i n PHE 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2b3i n PHE 67 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2b3i n PHE 67 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2b3i n TYR 68 N -0.68 0.00 -4.71 1.38 0.18 -1.12 -5.05 117.16 107.17 2b3i n TYR 68 Ca 0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 2b3i n TYR 68 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 2b3i n TYR 68 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2b3i n SER 69 N 0.00 2.94 -3.61 9.48 2.88 -1.26 -1.15 113.62 122.90 2b3i n SER 69 Ca 0.00 -3.25 -0.09 0.00 -1.33 0.00 0.00 58.87 54.20 2b3i n SER 69 Cb 0.00 0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2b3i n SER 69 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2b3i s VAL 70 N -2.92 0.00 -0.01 2.46 -7.23 -1.06 -4.97 120.40 106.67 2b3i s VAL 70 Ca 0.05 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 2b3i s VAL 70 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2b3i s VAL 70 CO 0.03 0.00 0.12 -0.89 -0.31 0.00 0.00 175.10 174.06 2b3i s THR 71 N -0.41 5.03 0.44 5.32 2.01 -1.26 -0.68 115.64 126.09 2b3i s THR 71 Ca 0.02 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.79 2b3i s THR 71 Cb -0.03 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 2b3i s THR 71 CO -0.04 0.35 0.12 -0.76 -0.69 0.00 0.00 174.62 173.59 2b3i s LEU 72 N -1.80 2.88 0.00 4.42 1.43 -0.56 -4.99 118.68 120.06 2b3i s LEU 72 Ca 0.24 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2b3i s LEU 72 Cb -0.12 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2b3i s LEU 72 CO 0.16 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.74 2b3i n GLY 73 N -1.20 -0.22 3.71 -3.19 0.00 -1.26 -2.02 105.19 101.01 2b3i n GLY 73 Ca -0.05 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2b3i n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 74 N -1.81 2.69 0.45 2.61 2.01 -1.26 -4.43 115.64 115.90 2b3i s THR 74 Ca 0.00 0.47 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 2b3i s THR 74 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 2b3i s THR 74 CO 0.00 0.03 1.04 -2.16 -0.69 0.00 0.00 174.62 172.85 2b3i s PRO 75 N 1.29 3.95 0.00 4.92 0.04 -1.26 -4.78 135.00 139.17 2b3i s PRO 75 Ca 0.70 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2b3i s PRO 75 Cb -0.43 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2b3i s PRO 75 CO 0.31 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2b3i n GLY 76 N -0.01 -0.02 3.48 0.56 0.00 -1.20 -4.86 105.19 103.15 2b3i n GLY 76 Ca 0.08 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 2b3i n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b3i s THR 77 N -1.28 4.31 -0.10 2.61 -1.32 -1.26 -1.45 115.64 117.15 2b3i s THR 77 Ca 0.00 -0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.21 2b3i s THR 77 Cb 0.00 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 2b3i s THR 77 CO 0.00 0.38 0.20 -0.31 -2.21 0.00 0.00 174.62 172.68 2b3i s TYR 78 N 1.24 3.61 0.04 9.09 1.51 0.54 -4.49 117.35 128.88 2b3i s TYR 78 Ca 0.04 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.80 2b3i s TYR 78 Cb -0.15 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 2b3i s TYR 78 CO 0.03 0.68 -0.20 -1.54 -1.11 0.00 0.00 175.55 173.41 2b3i s SER 79 N -0.92 2.36 0.11 2.29 1.04 -1.23 -0.35 113.70 117.00 2b3i s SER 79 Ca 0.17 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 2b3i s SER 79 Cb -0.13 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2b3i s SER 79 CO 0.06 0.15 0.16 2.22 0.98 0.00 0.00 173.24 176.81 2b3i n PHE 80 N 1.92 -0.80 -3.82 5.02 -1.74 -1.11 0.10 117.46 117.04 2b3i n PHE 80 Ca -0.17 -0.75 -0.04 0.00 -0.56 0.00 0.00 57.45 55.93 2b3i n PHE 80 Cb 0.53 0.19 0.00 0.00 1.52 0.00 0.00 39.48 41.73 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 -4.47 -0.01 -0.34 2.97 -0.85 -1.07 -3.90 117.35 109.68 2b3i s TYR 81 Ca 0.09 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 2b3i s TYR 81 Cb -0.00 0.69 0.10 0.00 0.38 0.00 0.00 41.96 43.13 2b3i s TYR 81 CO 0.07 -0.96 0.06 0.00 -1.52 0.00 0.00 175.55 173.20 2b3i n THR 83 N 4.28 -0.23 -2.52 0.00 -1.04 -1.26 -2.86 114.28 110.64 2b3i n THR 83 Ca 0.03 0.86 -0.38 0.00 -2.04 0.00 0.00 64.05 62.52 2b3i n THR 83 Cb 0.42 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.81 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 -5.21 4.35 0.00 -2.82 0.04 -1.26 -3.89 135.00 126.21 2b3i s PRO 84 Ca -0.04 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2b3i s PRO 84 Cb 0.05 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2b3i s PRO 84 CO 0.23 -0.00 0.00 0.72 0.04 0.00 0.00 177.00 177.99 2b3i n HIS 85 N 0.42 0.00 0.00 0.56 8.25 -1.26 -4.92 115.22 118.28 2b3i n HIS 85 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2b3i n HIS 85 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2b3i n HIS 85 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2b3i n ARG 86 N 0.00 0.00 -0.01 -0.41 5.12 -1.14 0.96 116.66 121.18 2b3i n ARG 86 Ca 0.00 0.00 0.22 0.00 -1.93 0.00 0.00 57.85 56.14 2b3i n ARG 86 Cb 0.00 0.00 0.52 0.00 -1.16 0.00 0.00 32.46 31.82 2b3i n ARG 86 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2b3i h GLY 87 N 0.00 0.00 2.00 -0.13 0.00 -1.91 1.70 103.07 104.73 2b3i h GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3i h GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2b3i h ALA 88 N 0.84 1.00 -1.16 3.60 0.00 0.28 -3.45 119.26 120.38 2b3i h ALA 88 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2b3i h ALA 88 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2b3i h ALA 88 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2b3i n GLY 89 N -1.21 0.72 2.67 0.00 0.00 0.58 -4.84 105.19 103.10 2b3i n GLY 89 Ca -0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.58 3.11 -4.68 1.61 0.00 -1.05 -4.27 117.12 111.26 2b3i n MET 90 Ca 0.00 -4.74 -0.30 0.00 -0.00 0.00 0.00 57.70 52.66 2b3i n MET 90 Cb 0.23 -2.28 -0.14 0.00 0.00 0.00 0.00 33.22 31.03 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 -3.36 2.35 0.15 1.12 -7.23 -1.26 -3.14 120.40 109.02 2b3i s VAL 91 Ca 0.43 -1.46 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 2b3i s VAL 91 Cb 0.19 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 2b3i s VAL 91 CO -0.06 0.27 0.24 -0.83 -0.31 0.00 0.00 175.10 174.41 2b3i s GLY 92 N -1.56 0.50 0.07 2.32 0.00 -1.25 -4.51 107.32 102.88 2b3i s GLY 92 Ca 0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 2b3i s GLY 92 CO 0.04 -0.90 0.00 -1.59 0.00 0.00 0.00 173.10 170.65 2b3i s THR 93 N -3.96 0.19 -0.05 0.90 2.01 -0.67 -2.74 115.64 111.31 2b3i s THR 93 Ca 0.16 -1.81 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 2b3i s THR 93 Cb 0.04 -1.65 0.03 0.00 0.01 0.00 0.00 72.50 70.94 2b3i s THR 93 CO -0.01 -0.85 0.12 -0.63 -0.69 0.00 0.00 174.62 172.56 2b3i s ILE 94 N -3.95 -0.04 -0.00 1.82 1.01 0.52 -1.98 121.20 118.58 2b3i s ILE 94 Ca 0.11 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2b3i s ILE 94 Cb 0.08 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 2b3i s ILE 94 CO -0.07 0.06 -0.16 -0.89 0.00 0.00 0.00 174.94 173.88 2b3i s THR 95 N 0.95 2.93 -0.58 2.92 2.01 0.15 0.20 115.64 124.23 2b3i s THR 95 Ca -0.07 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.04 2b3i s THR 95 Cb -0.10 -2.19 0.22 0.00 0.01 0.00 0.00 72.50 70.44 2b3i s THR 95 CO -0.04 0.47 0.58 0.52 -0.69 0.00 0.00 174.62 175.45 2b3i n VAL 96 N 1.93 1.06 1.85 3.82 0.31 -0.53 0.20 118.33 126.97 2b3i n VAL 96 Ca -0.16 -4.63 0.15 0.00 -0.01 0.00 0.00 64.34 59.68 2b3i n VAL 96 Cb 0.52 -2.03 0.88 0.00 -0.91 0.00 0.00 33.84 32.30 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72