#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 -8.58 -4.81 0.00 2.88 -1.26 -5.05 113.62 96.80 2b3i n SER 2 Ca 0.00 1.43 -0.24 0.00 -1.33 0.00 0.00 58.87 58.72 2b3i n SER 2 Cb 0.00 -4.77 -0.05 0.00 -0.75 0.00 0.00 64.21 58.64 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2b3i s VAL 3 N -0.50 2.18 0.04 2.46 -7.23 -1.18 -5.03 120.40 111.14 2b3i s VAL 3 Ca 0.00 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2b3i s VAL 3 Cb 0.00 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.19 2b3i s VAL 3 CO 0.00 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.05 2b3i s GLN 4 N -4.05 0.74 -0.20 4.82 0.00 -1.26 -0.85 119.66 118.87 2b3i s GLN 4 Ca 0.39 -0.52 0.01 0.00 -0.00 0.00 0.00 55.36 55.25 2b3i s GLN 4 Cb 0.01 0.32 0.03 0.00 0.00 0.00 0.00 33.01 33.36 2b3i s GLN 4 CO 0.23 -0.22 -0.18 0.42 0.00 0.00 0.00 175.29 175.53 2b3i s ILE 5 N -2.41 2.08 0.29 3.63 -1.09 0.36 -4.63 121.20 119.44 2b3i s ILE 5 Ca -0.06 -1.08 -0.05 0.00 -2.23 0.00 0.00 60.65 57.22 2b3i s ILE 5 Cb -0.02 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.87 2b3i s ILE 5 CO -0.03 0.42 0.57 -0.54 -1.23 0.00 0.00 174.94 174.13 2b3i s LYS 6 N 1.25 3.65 -0.23 2.79 1.02 0.12 -0.74 119.74 127.61 2b3i s LYS 6 Ca 0.02 0.04 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 2b3i s LYS 6 Cb -0.14 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.60 2b3i s LYS 6 CO -0.11 0.20 -0.01 -1.64 -0.92 0.00 0.00 175.35 172.87 2b3i s MET 7 N -3.54 1.23 0.00 1.68 -1.94 -0.28 -0.21 119.30 116.24 2b3i s MET 7 Ca 0.44 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 2b3i s MET 7 Cb -0.11 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.33 2b3i s MET 7 CO 0.30 -0.64 0.00 0.41 -0.01 0.00 0.00 175.02 175.07 2b3i n GLY 8 N 4.81 2.19 3.93 -0.03 0.00 0.39 -0.78 105.19 115.69 2b3i n GLY 8 Ca -0.10 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.36 5.18 -1.24 2.61 -4.23 0.18 -4.38 115.64 113.40 2b3i s THR 9 Ca 0.00 -0.35 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 2b3i s THR 9 Cb 0.00 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 70.27 2b3i s THR 9 CO 0.00 -0.21 1.35 -0.67 -0.54 0.00 0.00 174.62 174.55 2b3i n ASP 10 N -0.77 0.00 -1.43 3.99 2.03 -1.26 -1.86 116.55 117.25 2b3i n ASP 10 Ca -0.05 0.28 -0.05 0.00 0.52 0.00 0.00 54.79 55.49 2b3i n ASP 10 Cb 0.54 -0.38 0.15 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.38 2.30 -3.74 -0.67 5.02 -1.26 -4.86 118.16 113.57 2b3i n LYS 11 Ca 0.05 -1.58 -0.23 0.00 -2.02 0.00 0.00 58.31 54.53 2b3i n LYS 11 Cb 0.12 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.03 -1.94 -3.86 2.13 4.01 -0.78 -4.99 117.16 111.71 2b3i n TYR 12 Ca 0.23 0.84 -0.21 0.00 -0.16 0.00 0.00 57.90 58.60 2b3i n TYR 12 Cb 0.93 -4.30 -0.17 0.00 -0.31 0.00 0.00 39.34 35.49 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 -3.65 0.59 -0.39 -0.72 0.00 -1.20 -4.99 121.76 111.41 2b3i s ALA 13 Ca 0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 2b3i s ALA 13 Cb -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2b3i s ALA 13 CO 0.82 -0.31 1.40 -1.25 0.00 0.00 0.00 175.76 176.42 2b3i s PRO 14 N 1.62 3.64 -0.16 0.00 0.04 -1.26 0.49 135.00 139.37 2b3i s PRO 14 Ca -0.01 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 2b3i s PRO 14 Cb -0.13 -4.00 0.13 0.00 0.04 0.00 0.00 34.50 30.55 2b3i s PRO 14 CO -0.03 -1.47 1.04 -0.48 0.04 0.00 0.00 177.00 176.09 2b3i s LEU 15 N 5.23 -0.32 0.19 -3.56 2.34 -1.26 -4.57 118.68 116.73 2b3i s LEU 15 Ca 0.61 0.30 -0.29 0.00 0.06 0.00 0.00 54.13 54.81 2b3i s LEU 15 Cb -0.15 1.76 -0.08 0.00 -0.56 0.00 0.00 46.19 47.16 2b3i s LEU 15 CO 0.31 -0.32 0.91 -0.31 -1.06 0.00 0.00 176.35 175.87 2b3i s TYR 16 N -1.34 3.92 -0.07 3.48 2.02 -1.26 0.15 117.35 124.25 2b3i s TYR 16 Ca 0.01 1.82 0.01 0.00 -0.37 0.00 0.00 57.07 58.54 2b3i s TYR 16 Cb -0.01 -2.96 0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2b3i s TYR 16 CO -0.01 0.40 -0.07 -2.00 -1.57 0.00 0.00 175.55 172.30 2b3i s GLU 17 N -0.83 1.23 0.76 -0.62 2.12 0.71 -3.38 118.70 118.70 2b3i s GLU 17 Ca 0.41 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.40 2b3i s GLU 17 Cb -0.25 -1.19 0.18 0.00 0.26 0.00 0.00 34.13 33.13 2b3i s GLU 17 CO 0.30 -0.11 0.84 -0.35 -0.54 0.00 0.00 175.26 175.40 2b3i n PRO 18 N 4.28 -1.68 -0.69 4.30 -0.04 -1.26 0.14 135.00 140.05 2b3i n PRO 18 Ca -0.20 -1.32 -0.08 0.00 -0.04 0.00 0.00 63.50 61.87 2b3i n PRO 18 Cb 0.51 -1.04 0.16 0.00 -0.04 0.00 0.00 33.50 33.09 2b3i n PRO 18 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2b3i n LYS 19 N -3.38 2.39 0.00 0.54 2.85 -1.22 -4.81 118.16 114.53 2b3i n LYS 19 Ca 0.11 -1.90 0.00 0.00 -1.05 0.00 0.00 58.31 55.47 2b3i n LYS 19 Cb 0.40 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 2b3i n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2b3i n ALA 20 N -0.19 0.00 -3.04 0.58 0.00 -1.26 -4.48 120.51 112.12 2b3i n ALA 20 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 2b3i n ALA 20 Cb 1.09 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.43 2b3i n ALA 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2b3i s LEU 21 N 0.00 1.92 0.04 0.00 2.96 -0.90 -4.99 118.68 117.70 2b3i s LEU 21 Ca 0.00 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2b3i s LEU 21 Cb 0.00 0.37 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 2b3i s LEU 21 CO 0.00 -0.33 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.04 2b3i s SER 22 N -1.43 1.22 0.19 3.68 0.15 -1.26 -0.94 113.70 115.31 2b3i s SER 22 Ca -0.15 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.00 2b3i s SER 22 Cb -0.09 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 2b3i s SER 22 CO 0.00 -0.05 0.34 2.30 1.20 0.00 0.00 173.24 177.03 2b3i n ILE 23 N 1.86 0.00 -4.46 6.45 -5.35 0.51 -4.86 119.36 113.51 2b3i n ILE 23 Ca -0.19 -0.62 -0.27 0.00 -0.27 0.00 0.00 62.75 61.40 2b3i n ILE 23 Cb 0.55 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 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 -2.04 4.04 -0.49 7.28 0.01 -1.26 0.20 113.70 121.44 2b3i s SER 24 Ca 0.10 -1.26 -0.27 0.00 1.31 0.00 0.00 55.95 55.83 2b3i s SER 24 Cb -0.02 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 2b3i s SER 24 CO 0.07 -0.46 1.82 0.00 0.41 0.00 0.00 173.24 175.08 2b3i s ALA 25 N -2.67 2.47 0.00 1.44 0.00 -1.12 -1.44 121.76 120.46 2b3i s ALA 25 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2b3i s ALA 25 Cb 0.07 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 19.02 2b3i s ALA 25 CO 0.19 -3.34 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2b3i n GLY 26 N 5.56 1.05 3.92 0.00 0.00 0.84 -4.85 105.19 111.70 2b3i n GLY 26 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 3.86 0.19 1.61 1.11 -0.52 -4.70 116.67 117.18 2b3i s ASP 27 Ca 0.00 0.53 0.10 0.00 0.18 0.00 0.00 52.55 53.36 2b3i s ASP 27 Cb 0.00 -0.81 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 2b3i s ASP 27 CO 0.00 -2.29 -0.22 -0.89 1.18 0.00 0.00 175.17 172.95 2b3i s THR 28 N -3.72 2.16 -0.21 -1.27 2.01 -1.26 -0.97 115.64 112.37 2b3i s THR 28 Ca 0.68 -2.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.63 2b3i s THR 28 Cb -0.08 -2.03 0.07 0.00 0.01 0.00 0.00 72.50 70.47 2b3i s THR 28 CO 0.51 -0.21 0.06 -0.69 -0.69 0.00 0.00 174.62 173.60 2b3i s VAL 29 N -1.86 0.38 0.69 3.82 1.01 -0.69 -3.07 120.40 120.67 2b3i s VAL 29 Ca 0.19 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2b3i s VAL 29 Cb -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.34 2b3i s VAL 29 CO 0.09 -0.34 1.01 -0.70 0.00 0.00 0.00 175.10 175.17 2b3i s GLU 30 N 1.91 2.43 -0.09 2.72 2.12 -0.03 -3.15 118.70 124.61 2b3i s GLU 30 Ca 0.02 -0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.24 2b3i s GLU 30 Cb -0.17 -2.15 0.05 0.00 0.26 0.00 0.00 34.13 32.11 2b3i s GLU 30 CO -0.13 -1.12 0.22 -0.06 -0.54 0.00 0.00 175.26 173.62 2b3i s PHE 31 N -3.23 -0.28 -0.02 5.30 0.40 -0.22 0.14 117.98 120.06 2b3i s PHE 31 Ca 0.58 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 2b3i s PHE 31 Cb -0.11 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.42 2b3i s PHE 31 CO 0.46 -0.22 -0.10 0.54 0.70 0.00 0.00 175.22 176.60 2b3i s VAL 32 N 1.34 0.86 -0.61 -0.44 0.11 0.09 -0.27 120.40 121.47 2b3i s VAL 32 Ca -0.08 -0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 58.34 2b3i s VAL 32 Cb -0.11 -0.75 0.08 0.00 -1.53 0.00 0.00 36.38 34.07 2b3i s VAL 32 CO -0.08 0.26 0.83 -0.04 -3.33 0.00 0.00 175.10 172.74 2b3i s MET 33 N 0.08 3.10 0.00 1.54 -1.94 -1.26 -1.13 119.30 119.69 2b3i s MET 33 Ca -0.02 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2b3i s MET 33 Cb -0.08 -4.22 0.00 0.00 2.01 0.00 0.00 34.83 32.54 2b3i s MET 33 CO 0.00 -1.63 0.84 0.09 -0.01 0.00 0.00 175.02 174.32 2b3i n ASN 34 N 7.00 0.00 -1.09 3.03 4.13 0.04 -4.68 115.26 123.69 2b3i n ASN 34 Ca -0.06 0.84 -0.00 0.00 1.68 0.00 0.00 54.58 57.04 2b3i n ASN 34 Cb 0.44 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.66 0.02 -1.21 3.52 -0.00 -1.05 -4.96 118.16 112.82 2b3i n LYS 35 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.31 58.18 2b3i n LYS 35 Cb 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 35.03 35.07 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 -0.03 0.00 -0.28 0.58 0.31 -1.26 -4.20 118.33 113.45 2b3i n VAL 36 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b3i n VAL 36 Cb 0.02 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 -1.14 -2.38 3.82 2.92 0.00 -1.26 -4.85 105.19 102.29 2b3i n GLY 37 Ca -0.07 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.77 2.68 0.00 1.61 0.04 -1.26 -5.14 135.00 131.17 2b3i s PRO 38 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2b3i s PRO 38 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2b3i s PRO 38 CO 0.00 -1.26 0.00 0.72 0.04 0.00 0.00 177.00 176.50 2b3i n HIS 39 N -3.22 0.00 -3.98 0.56 8.25 -1.26 -4.93 115.22 110.64 2b3i n HIS 39 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 2b3i n HIS 39 Cb 0.54 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.04 -0.54 -3.72 0.41 0.23 -1.26 -3.30 115.26 106.04 2b3i n ASN 40 Ca 0.00 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.58 52.71 2b3i n ASN 40 Cb 0.00 0.83 -0.12 0.00 -2.08 0.00 0.00 39.78 38.41 2b3i n ASN 40 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2b3i s VAL 41 N -2.04 1.85 -1.02 3.53 1.01 -1.24 -4.81 120.40 117.68 2b3i s VAL 41 Ca 0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 61.98 58.66 2b3i s VAL 41 Cb -0.00 -2.24 0.28 0.00 0.00 0.00 0.00 36.38 34.42 2b3i s VAL 41 CO -0.01 -1.05 1.21 -0.38 0.00 0.00 0.00 175.10 174.88 2b3i n ILE 42 N 2.57 4.49 -0.96 2.22 2.08 -1.23 -1.89 119.36 126.64 2b3i n ILE 42 Ca 0.20 -5.60 -0.33 0.00 0.56 0.00 0.00 62.75 57.57 2b3i n ILE 42 Cb 0.39 -2.25 0.03 0.00 -0.75 0.00 0.00 39.64 37.05 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 1.74 -4.20 -0.08 1.39 3.72 -1.26 -3.63 117.46 115.13 2b3i n PHE 43 Ca 0.25 0.08 -0.22 0.00 -0.05 0.00 0.00 57.45 57.51 2b3i n PHE 43 Cb 0.36 -1.35 -0.12 0.00 -0.94 0.00 0.00 39.48 37.43 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 2.93 1.91 0.00 4.37 -0.08 0.19 -4.76 116.55 121.11 2b3i n ASP 44 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2b3i n ASP 44 Cb 0.48 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.00 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 -4.25 0.00 -4.26 -0.67 5.02 -1.22 -4.90 118.16 107.88 2b3i n LYS 45 Ca -0.33 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.80 2b3i n LYS 45 Cb 0.76 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.66 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 -2.00 1.30 0.72 -0.18 -7.23 -1.26 -3.64 120.40 108.11 2b3i s VAL 46 Ca 0.00 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 2b3i s VAL 46 Cb 0.00 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2b3i s VAL 46 CO 0.00 -0.64 1.07 -2.16 -0.31 0.00 0.00 175.10 173.06 2b3i s PRO 47 N -3.43 2.71 0.04 4.82 0.04 -1.26 -4.80 135.00 133.11 2b3i s PRO 47 Ca 0.15 0.87 -0.36 0.00 0.04 0.00 0.00 61.00 61.70 2b3i s PRO 47 Cb -0.00 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 2b3i s PRO 47 CO 0.02 -1.24 0.92 0.00 0.04 0.00 0.00 177.00 176.74 2b3i n ALA 48 N -3.21 -3.37 0.00 8.56 0.00 -1.26 -3.49 120.51 117.73 2b3i n ALA 48 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2b3i n ALA 48 Cb 0.54 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.53 2.92 0.90 0.00 0.00 -1.26 -4.90 105.19 104.39 2b3i n GLY 49 Ca 0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 1.08 -3.56 1.61 0.00 -1.23 -4.89 120.64 113.65 2b3i n GLU 50 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 57.16 56.13 2b3i n GLU 50 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 2b3i n GLU 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2b3i n SER 51 N -2.46 1.64 -0.11 4.31 3.41 -1.26 -4.93 113.62 114.21 2b3i n SER 51 Ca 0.02 -2.91 -0.05 0.00 -0.26 0.00 0.00 58.87 55.66 2b3i n SER 51 Cb 0.14 -0.66 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b3i h ALA 52 N 5.08 0.16 0.00 7.33 0.00 -1.94 -1.70 119.26 128.19 2b3i h ALA 52 Ca 0.19 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 2b3i h ALA 52 Cb 0.80 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2b3i h ALA 52 CO 0.59 -0.52 0.21 -0.35 0.00 0.00 0.00 179.25 179.18 2b3i n PRO 53 N -5.35 1.64 0.00 0.00 -0.04 -1.26 -2.71 135.00 127.29 2b3i n PRO 53 Ca 0.02 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2b3i n PRO 53 Cb 0.26 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 2.77 0.09 0.18 0.55 0.00 -0.68 -4.90 120.51 118.52 2b3i n ALA 54 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.82 2b3i n ALA 54 Cb 0.63 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.40 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 -8.30 0.00 3.38 -1.24 -3.43 115.31 105.72 2b3i h LEU 55 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2b3i h LEU 55 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2b3i h LEU 55 CO 0.00 0.43 1.56 -1.20 0.09 0.00 0.00 178.44 179.32 2b3i n SER 56 N -3.89 1.38 -4.47 -0.43 7.64 -1.16 -4.85 113.62 107.84 2b3i n SER 56 Ca -0.01 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 2b3i n SER 56 Cb 0.48 -1.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 2b3i n SER 56 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2b3i s ASN 57 N 8.63 6.26 -0.24 6.43 -0.87 -0.79 -4.92 114.94 129.44 2b3i s ASN 57 Ca 1.17 -0.71 -0.02 0.00 -1.57 0.00 0.00 52.86 51.73 2b3i s ASN 57 Cb -0.95 -2.33 0.11 0.00 -0.02 0.00 0.00 41.25 38.06 2b3i s ASN 57 CO 0.47 -0.97 2.25 1.07 -2.57 0.00 0.00 177.10 177.36 2b3i n THR 58 N 5.79 2.70 -2.97 1.60 5.66 -1.26 -3.69 114.28 122.11 2b3i n THR 58 Ca -0.04 -1.57 -0.32 0.00 -3.05 0.00 0.00 64.05 59.06 2b3i n THR 58 Cb 0.46 -1.46 -0.03 0.00 -1.55 0.00 0.00 70.33 67.75 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 0.85 3.78 -1.55 1.09 4.81 -1.26 -5.04 118.16 120.84 2b3i n LYS 59 Ca 0.27 -4.75 -0.64 0.00 -0.87 0.00 0.00 58.31 52.32 2b3i n LYS 59 Cb 0.58 -2.33 -0.10 0.00 0.02 0.00 0.00 35.03 33.20 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 0.17 1.04 -4.35 3.14 -0.00 -1.26 -4.83 117.00 110.91 2b3i n LEU 60 Ca 0.34 1.00 -0.45 0.00 -0.00 0.00 0.00 56.01 56.90 2b3i n LEU 60 Cb 0.36 -0.87 -0.05 0.00 -0.00 0.00 0.00 43.42 42.86 2b3i n LEU 60 CO 0.44 -0.80 0.30 0.00 -0.00 0.00 0.00 177.39 177.33 2b3i s ALA 61 N 3.85 3.50 0.08 1.47 0.00 -1.21 -4.90 121.76 124.56 2b3i s ALA 61 Ca 1.07 -2.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 2b3i s ALA 61 Cb -1.46 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 18.15 2b3i s ALA 61 CO 0.75 -2.21 1.48 0.97 0.00 0.00 0.00 175.76 176.75 2b3i h ILE 62 N 5.91 1.28 -2.82 0.00 6.09 -1.89 -3.40 117.51 122.68 2b3i h ILE 62 Ca -0.30 -1.05 -0.56 0.00 -1.37 0.00 0.00 64.86 61.58 2b3i h ILE 62 Cb 1.09 1.45 -0.03 0.00 0.47 0.00 0.00 36.82 39.80 2b3i h ILE 62 CO 1.07 0.33 1.03 0.00 -3.07 0.00 0.00 178.15 177.51 2b3i s ALA 63 N -4.79 3.49 0.07 0.18 0.00 -1.26 -4.90 121.76 114.54 2b3i s ALA 63 Ca -0.13 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2b3i s ALA 63 Cb 0.07 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 2b3i s ALA 63 CO 0.76 -1.55 1.16 -1.25 0.00 0.00 0.00 175.76 174.88 2b3i s PRO 64 N 4.09 4.47 0.00 0.00 0.04 -1.26 -4.82 135.00 137.52 2b3i s PRO 64 Ca 0.65 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2b3i s PRO 64 Cb -0.25 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2b3i s PRO 64 CO 0.24 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.50 2b3i n GLY 65 N 3.00 0.00 2.32 0.56 0.00 -1.26 -5.07 105.19 104.74 2b3i n GLY 65 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.87 0.00 1.61 2.88 -1.26 -4.90 113.62 109.07 2b3i n SER 66 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2b3i n SER 66 Cb 0.00 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 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 0.96 0.00 0.00 0.66 3.01 0.63 -4.91 117.46 117.81 2b3i n PHE 67 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2b3i n PHE 67 Cb 0.30 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.58 0.00 -4.36 1.38 0.18 -1.03 -5.02 117.16 106.74 2b3i n TYR 68 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 2b3i n TYR 68 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 2b3i n TYR 68 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2b3i s SER 69 N 0.00 2.92 -0.19 9.48 1.04 -1.26 -1.05 113.70 124.63 2b3i s SER 69 Ca 0.00 -0.87 -0.15 0.00 0.48 0.00 0.00 55.95 55.41 2b3i s SER 69 Cb 0.00 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.98 2b3i s SER 69 CO 0.00 0.01 0.49 0.68 0.98 0.00 0.00 173.24 175.40 2b3i s VAL 70 N -1.99 -0.01 0.21 5.02 -7.23 -1.19 -4.99 120.40 110.22 2b3i s VAL 70 Ca 0.18 0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.26 2b3i s VAL 70 Cb -0.06 -0.70 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2b3i s VAL 70 CO 0.08 0.01 0.56 -0.89 -0.31 0.00 0.00 175.10 174.55 2b3i s THR 71 N 0.69 4.89 0.34 5.32 2.01 -1.26 -1.71 115.64 125.92 2b3i s THR 71 Ca -0.03 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.62 2b3i s THR 71 Cb -0.05 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2b3i s THR 71 CO -0.05 0.02 0.08 -0.76 -0.69 0.00 0.00 174.62 173.22 2b3i s LEU 72 N -2.57 2.05 0.00 4.42 1.43 -0.14 -4.98 118.68 118.89 2b3i s LEU 72 Ca 0.45 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2b3i s LEU 72 Cb -0.12 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2b3i s LEU 72 CO 0.20 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.67 2b3i n GLY 73 N -0.73 -0.09 3.66 -3.19 0.00 -1.26 -0.11 105.19 103.47 2b3i n GLY 73 Ca -0.03 -0.03 -0.52 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.95 0.23 -2.52 2.61 -1.04 -1.26 -4.21 114.28 106.14 2b3i n THR 74 Ca 0.00 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 2b3i n THR 74 Cb 0.00 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 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 2.32 4.57 0.00 -2.82 0.04 -1.26 -4.70 135.00 133.16 2b3i s PRO 75 Ca 0.89 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2b3i s PRO 75 Cb -0.87 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2b3i s PRO 75 CO 0.52 0.18 0.00 0.41 0.04 0.00 0.00 177.00 178.14 2b3i n GLY 76 N 1.06 0.26 3.39 0.56 0.00 -1.22 -4.94 105.19 104.30 2b3i n GLY 76 Ca -0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 4.09 -0.06 2.61 -1.32 -1.26 -1.39 115.64 117.04 2b3i s THR 77 Ca 0.00 -0.42 -0.16 0.00 -1.21 0.00 0.00 61.69 59.90 2b3i s THR 77 Cb 0.00 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.95 2b3i s THR 77 CO 0.00 0.24 0.44 -0.31 -2.21 0.00 0.00 174.62 172.78 2b3i s TYR 78 N 1.56 3.62 0.04 9.09 1.51 0.50 -4.68 117.35 128.98 2b3i s TYR 78 Ca 0.05 0.93 0.07 0.00 -1.01 0.00 0.00 57.07 57.11 2b3i s TYR 78 Cb -0.16 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2b3i s TYR 78 CO 0.02 0.40 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.57 2b3i s SER 79 N -0.21 3.86 0.26 2.29 0.01 -1.24 0.12 113.70 118.80 2b3i s SER 79 Ca 0.24 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 2b3i s SER 79 Cb -0.16 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 2b3i s SER 79 CO 0.12 0.26 0.39 0.72 0.41 0.00 0.00 173.24 175.14 2b3i s PHE 80 N -0.93 0.76 0.17 2.43 -0.71 -0.89 0.56 117.98 119.37 2b3i s PHE 80 Ca 0.15 -1.05 -0.24 0.00 -1.04 0.00 0.00 56.93 54.75 2b3i s PHE 80 Cb -0.11 -0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.70 2b3i s PHE 80 CO 0.05 -0.95 0.96 1.52 -1.34 0.00 0.00 175.22 175.46 2b3i s TYR 81 N -3.77 -0.09 0.25 3.49 -0.85 -1.24 -1.29 117.35 113.84 2b3i s TYR 81 Ca 0.29 -0.24 -0.12 0.00 -0.52 0.00 0.00 57.07 56.48 2b3i s TYR 81 Cb 0.01 0.66 -0.08 0.00 0.38 0.00 0.00 41.96 42.93 2b3i s TYR 81 CO 0.13 -0.88 0.61 0.00 -1.52 0.00 0.00 175.55 173.89 2b3i h THR 83 N 2.10 1.73 -0.02 0.00 2.02 -1.91 -1.88 112.91 114.95 2b3i h THR 83 Ca -0.47 -2.35 -0.12 0.00 0.77 0.00 0.00 66.41 64.24 2b3i h THR 83 Cb 1.17 3.31 0.01 0.00 -1.74 0.00 0.00 68.15 70.91 2b3i h THR 83 CO 0.68 0.60 -0.44 1.55 0.37 0.00 0.00 175.52 178.27 2b3i h PRO 84 N -0.97 0.34 -0.16 6.66 0.13 -1.95 -3.08 132.00 132.97 2b3i h PRO 84 Ca -0.03 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2b3i h PRO 84 Cb 1.05 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2b3i h PRO 84 CO -0.01 1.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.49 2b3i n HIS 85 N -4.34 0.21 -0.26 1.56 8.25 -1.26 -4.15 115.22 115.23 2b3i n HIS 85 Ca -0.10 -0.11 0.32 0.00 -0.26 0.00 0.00 57.72 57.58 2b3i n HIS 85 Cb 0.59 0.00 0.61 0.00 1.12 0.00 0.00 29.99 32.30 2b3i n HIS 85 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2b3i h ARG 86 N 0.99 0.00 0.00 -0.41 2.43 -1.24 1.56 114.38 117.71 2b3i h ARG 86 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2b3i h ARG 86 Cb 0.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2b3i h ARG 86 CO 0.00 0.00 -2.06 0.41 -1.51 0.00 0.00 179.97 176.81 2b3i n GLY 87 N -1.72 -0.87 0.29 2.80 0.00 -1.26 -4.25 105.19 100.18 2b3i n GLY 87 Ca 0.24 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 46.06 2b3i n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3i h ALA 88 N 1.27 1.32 -0.49 4.61 0.00 0.19 -3.46 119.26 122.70 2b3i h ALA 88 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2b3i h ALA 88 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2b3i h ALA 88 CO 0.01 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2b3i n GLY 89 N -0.98 0.67 3.06 0.00 0.00 -0.38 -5.03 105.19 102.53 2b3i n GLY 89 Ca -0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2b3i n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b3i s MET 90 N -0.96 2.92 0.32 1.61 -1.94 -1.21 -4.83 119.30 115.21 2b3i s MET 90 Ca 0.00 -3.11 0.09 0.00 -1.71 0.00 0.00 55.69 50.96 2b3i s MET 90 Cb 0.00 -3.79 -0.06 0.00 2.01 0.00 0.00 34.83 32.99 2b3i s MET 90 CO 0.00 -1.24 -0.08 0.14 -0.01 0.00 0.00 175.02 173.82 2b3i s VAL 91 N -1.05 2.04 0.29 -6.03 -7.23 -1.26 -0.22 120.40 106.93 2b3i s VAL 91 Ca 0.24 -2.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 2b3i s VAL 91 Cb -0.10 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.27 2b3i s VAL 91 CO -0.11 -0.23 0.62 -0.83 -0.31 0.00 0.00 175.10 174.23 2b3i s GLY 92 N -3.55 0.39 0.04 2.32 0.00 -0.41 -4.45 107.32 101.66 2b3i s GLY 92 Ca 0.31 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 2b3i s GLY 92 CO 0.15 -0.43 0.07 -1.59 0.00 0.00 0.00 173.10 171.30 2b3i s THR 93 N -3.58 0.15 -0.13 0.90 2.01 -1.26 -2.09 115.64 111.65 2b3i s THR 93 Ca 0.18 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 2b3i s THR 93 Cb -0.03 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.53 2b3i s THR 93 CO 0.10 -0.67 0.32 -0.63 -0.69 0.00 0.00 174.62 173.04 2b3i s ILE 94 N -2.85 -0.02 -0.00 1.82 1.01 0.12 -2.12 121.20 119.15 2b3i s ILE 94 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2b3i s ILE 94 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 2b3i s ILE 94 CO -0.06 0.02 -0.14 -0.89 0.00 0.00 0.00 174.94 173.88 2b3i s THR 95 N 0.71 3.12 -0.56 2.92 2.01 -0.12 0.19 115.64 123.92 2b3i s THR 95 Ca -0.04 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.12 2b3i s THR 95 Cb -0.06 -2.29 0.21 0.00 0.01 0.00 0.00 72.50 70.38 2b3i s THR 95 CO -0.05 0.45 0.56 0.52 -0.69 0.00 0.00 174.62 175.41 2b3i n VAL 96 N 1.85 0.85 1.59 3.82 0.31 -0.48 0.19 118.33 126.45 2b3i n VAL 96 Ca -0.16 -4.54 0.14 0.00 -0.01 0.00 0.00 64.34 59.77 2b3i n VAL 96 Cb 0.52 -2.01 0.60 0.00 -0.91 0.00 0.00 33.84 32.04 2b3i n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89