#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 -2.58 -4.77 0.00 3.41 -1.26 -5.02 113.62 103.40 2b3i n SER 2 Ca 0.00 -0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.30 2b3i n SER 2 Cb 0.00 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 62.98 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 -2.21 1.83 -0.04 -3.33 -7.23 -1.01 -5.00 120.40 103.40 2b3i s VAL 3 Ca 0.52 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2b3i s VAL 3 Cb -0.10 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2b3i s VAL 3 CO 0.67 0.00 0.21 -1.10 -0.31 0.00 0.00 175.10 174.57 2b3i s GLN 4 N -3.96 0.41 -0.37 4.82 -0.21 -1.26 0.74 119.66 119.84 2b3i s GLN 4 Ca 0.30 -0.03 -0.10 0.00 0.02 0.00 0.00 55.36 55.54 2b3i s GLN 4 Cb 0.03 0.18 0.03 0.00 1.00 0.00 0.00 33.01 34.25 2b3i s GLN 4 CO 0.17 -0.09 0.18 0.42 -2.12 0.00 0.00 175.29 173.85 2b3i s ILE 5 N -0.67 4.41 0.16 1.08 -1.09 0.51 -4.47 121.20 121.13 2b3i s ILE 5 Ca -0.08 -0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 57.21 2b3i s ILE 5 Cb -0.04 -3.46 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 2b3i s ILE 5 CO 0.01 -0.22 0.71 -0.54 -1.23 0.00 0.00 174.94 173.68 2b3i s LYS 6 N 1.52 4.40 -0.34 2.79 1.02 0.50 -1.35 119.74 128.28 2b3i s LYS 6 Ca 0.01 0.98 -0.00 0.00 0.02 0.00 0.00 55.97 56.98 2b3i s LYS 6 Cb -0.19 -3.16 0.08 0.00 -0.52 0.00 0.00 37.83 34.04 2b3i s LYS 6 CO 0.06 0.54 0.06 -1.64 -0.92 0.00 0.00 175.35 173.45 2b3i s MET 7 N -1.35 2.08 0.00 1.68 -1.94 -0.34 0.55 119.30 119.97 2b3i s MET 7 Ca 0.36 -1.57 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 2b3i s MET 7 Cb -0.21 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.36 2b3i s MET 7 CO 0.23 -0.82 0.00 0.41 -0.01 0.00 0.00 175.02 174.83 2b3i n GLY 8 N 4.51 2.34 3.93 -0.03 0.00 0.54 -0.57 105.19 115.91 2b3i n GLY 8 Ca -0.06 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.53 5.04 -0.56 2.61 -4.23 0.29 -4.40 115.64 113.85 2b3i s THR 9 Ca 0.00 -0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2b3i s THR 9 Cb 0.00 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 70.15 2b3i s THR 9 CO 0.00 -0.61 1.47 -0.67 -0.54 0.00 0.00 174.62 174.27 2b3i n ASP 10 N -1.79 0.37 -1.71 3.99 2.03 -1.26 -1.26 116.55 116.92 2b3i n ASP 10 Ca -0.03 0.64 -0.14 0.00 0.52 0.00 0.00 54.79 55.79 2b3i n ASP 10 Cb 0.56 -0.70 0.09 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.96 1.71 -3.25 -0.67 5.02 -1.26 -4.83 118.16 112.92 2b3i n LYS 11 Ca 0.00 -1.67 -0.21 0.00 -2.02 0.00 0.00 58.31 54.41 2b3i n LYS 11 Cb 0.07 -1.65 -0.01 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 -0.34 -1.71 -4.17 2.13 4.01 -0.39 -4.92 117.16 111.77 2b3i n TYR 12 Ca 0.33 0.37 -0.34 0.00 -0.16 0.00 0.00 57.90 58.10 2b3i n TYR 12 Cb 1.08 -2.57 -0.13 0.00 -0.31 0.00 0.00 39.34 37.42 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 -2.80 2.92 -0.52 -0.72 0.00 -1.19 -4.90 121.76 114.54 2b3i s ALA 13 Ca 0.34 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 2b3i s ALA 13 Cb -0.18 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.29 2b3i s ALA 13 CO 0.42 -0.11 1.48 -1.25 0.00 0.00 0.00 175.76 176.29 2b3i s PRO 14 N 0.94 3.29 0.28 0.00 0.04 -1.26 0.10 135.00 138.39 2b3i s PRO 14 Ca 0.00 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 2b3i s PRO 14 Cb -0.15 -4.14 0.02 0.00 0.04 0.00 0.00 34.50 30.28 2b3i s PRO 14 CO 0.01 -1.94 0.73 -1.17 0.04 0.00 0.00 177.00 174.67 2b3i s LEU 15 N 6.27 -0.25 -0.23 -3.56 0.20 -1.26 -4.61 118.68 115.23 2b3i s LEU 15 Ca 0.57 -0.61 -0.10 0.00 0.69 0.00 0.00 54.13 54.68 2b3i s LEU 15 Cb -0.12 2.71 -0.05 0.00 -0.43 0.00 0.00 46.19 48.30 2b3i s LEU 15 CO 0.26 -1.34 0.14 -0.31 -0.29 0.00 0.00 176.35 174.82 2b3i s TYR 16 N -3.87 3.30 -0.12 5.38 2.02 -1.26 0.20 117.35 123.00 2b3i s TYR 16 Ca 0.11 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 2b3i s TYR 16 Cb -0.06 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2b3i s TYR 16 CO 0.07 0.07 -0.19 -2.00 -1.57 0.00 0.00 175.55 171.93 2b3i s GLU 17 N 0.97 2.63 1.00 -0.62 2.12 0.19 -2.40 118.70 122.59 2b3i s GLU 17 Ca 0.07 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.53 2b3i s GLU 17 Cb -0.13 -2.15 0.20 0.00 0.26 0.00 0.00 34.13 32.30 2b3i s GLU 17 CO 0.04 -0.02 1.18 -1.25 -0.54 0.00 0.00 175.26 174.67 2b3i s PRO 18 N 0.85 0.36 0.27 4.30 0.04 -1.26 0.19 135.00 139.74 2b3i s PRO 18 Ca -0.08 -0.00 -0.02 0.00 0.04 0.00 0.00 61.00 60.93 2b3i s PRO 18 Cb -0.15 -1.77 0.35 0.00 0.04 0.00 0.00 34.50 32.96 2b3i s PRO 18 CO -0.01 -2.67 1.81 -0.22 0.04 0.00 0.00 177.00 175.95 2b3i h LYS 19 N -1.83 0.88 -5.11 4.56 3.64 -1.86 -3.44 116.57 113.41 2b3i h LYS 19 Ca -0.47 -0.18 -0.37 0.00 -1.27 0.00 0.00 60.65 58.36 2b3i h LYS 19 Cb 1.29 -0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 32.78 2b3i h LYS 19 CO 0.48 0.79 -0.76 0.00 -2.27 0.00 0.00 179.45 177.69 2b3i s ALA 20 N -5.23 1.06 -0.00 5.00 0.00 -1.26 -3.42 121.76 117.90 2b3i s ALA 20 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2b3i s ALA 20 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2b3i s ALA 20 CO 0.81 0.08 -0.01 -1.17 0.00 0.00 0.00 175.76 175.48 2b3i s LEU 21 N -1.90 1.95 0.01 0.00 2.96 -0.08 -4.96 118.68 116.66 2b3i s LEU 21 Ca -0.01 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 2b3i s LEU 21 Cb -0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2b3i s LEU 21 CO 0.01 0.00 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.35 2b3i s SER 22 N 0.04 1.76 0.22 3.68 0.15 -1.26 0.33 113.70 118.61 2b3i s SER 22 Ca -0.00 -0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2b3i s SER 22 Cb -0.01 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2b3i s SER 22 CO -0.00 0.14 0.34 2.30 1.20 0.00 0.00 173.24 177.22 2b3i n ILE 23 N 2.44 0.00 -4.46 6.45 -5.35 0.50 -4.85 119.36 114.09 2b3i n ILE 23 Ca -0.15 -0.90 -0.24 0.00 -0.27 0.00 0.00 62.75 61.18 2b3i n ILE 23 Cb 0.55 0.63 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 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 -2.26 3.54 -0.35 7.28 0.01 -1.26 0.19 113.70 120.85 2b3i s SER 24 Ca 0.15 -1.02 -0.27 0.00 1.31 0.00 0.00 55.95 56.11 2b3i s SER 24 Cb -0.01 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 2b3i s SER 24 CO 0.11 0.03 2.31 0.00 0.41 0.00 0.00 173.24 176.10 2b3i n ALA 25 N -0.58 1.33 0.00 1.44 0.00 -0.80 -0.33 120.51 121.58 2b3i n ALA 25 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2b3i n ALA 25 Cb 0.60 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2b3i n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 26 N 5.91 1.14 3.92 0.00 0.00 -0.72 -4.93 105.19 110.51 2b3i n GLY 26 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.25 4.13 0.17 1.61 1.11 0.55 -4.81 116.67 118.18 2b3i s ASP 27 Ca 0.00 0.45 0.10 0.00 0.18 0.00 0.00 52.55 53.28 2b3i s ASP 27 Cb 0.00 -0.84 -0.04 0.00 1.07 0.00 0.00 42.92 43.11 2b3i s ASP 27 CO 0.00 -2.09 -0.21 -0.89 1.18 0.00 0.00 175.17 173.16 2b3i s THR 28 N -3.56 2.06 -0.24 -1.27 2.01 -1.26 -1.39 115.64 111.98 2b3i s THR 28 Ca 0.66 -1.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 2b3i s THR 28 Cb -0.08 -1.94 0.08 0.00 0.01 0.00 0.00 72.50 70.57 2b3i s THR 28 CO 0.49 -0.18 0.07 -0.69 -0.69 0.00 0.00 174.62 173.62 2b3i s VAL 29 N -1.73 0.57 0.81 3.82 1.01 -0.41 -2.41 120.40 122.06 2b3i s VAL 29 Ca 0.17 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2b3i s VAL 29 Cb -0.07 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.15 2b3i s VAL 29 CO 0.08 -0.43 1.17 -0.70 0.00 0.00 0.00 175.10 175.23 2b3i s GLU 30 N 1.81 1.96 -0.16 2.72 2.12 0.23 -3.24 118.70 124.12 2b3i s GLU 30 Ca 0.04 0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 2b3i s GLU 30 Cb -0.17 -1.96 0.08 0.00 0.26 0.00 0.00 34.13 32.34 2b3i s GLU 30 CO -0.17 -1.59 0.21 -0.06 -0.54 0.00 0.00 175.26 173.10 2b3i s PHE 31 N -3.57 -0.25 0.06 5.30 0.40 -0.66 0.19 117.98 119.45 2b3i s PHE 31 Ca 0.62 0.41 0.09 0.00 -0.60 0.00 0.00 56.93 57.45 2b3i s PHE 31 Cb -0.11 -0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 2b3i s PHE 31 CO 0.49 -0.48 -0.22 0.54 0.70 0.00 0.00 175.22 176.25 2b3i s VAL 32 N 2.32 2.50 -0.28 -0.44 0.11 -0.46 -0.94 120.40 123.22 2b3i s VAL 32 Ca 0.05 -1.38 -0.14 0.00 -2.93 0.00 0.00 61.98 57.58 2b3i s VAL 32 Cb -0.14 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2b3i s VAL 32 CO -0.10 0.28 0.31 -0.32 -3.33 0.00 0.00 175.10 171.94 2b3i s MET 33 N -1.55 3.95 -0.03 1.54 1.75 -1.26 -1.20 119.30 122.49 2b3i s MET 33 Ca 0.14 -0.13 -0.01 0.00 -1.25 0.00 0.00 55.69 54.44 2b3i s MET 33 Cb -0.10 -3.67 -0.01 0.00 2.84 0.00 0.00 34.83 33.89 2b3i s MET 33 CO 0.05 -0.27 0.09 -0.91 -0.65 0.00 0.00 175.02 173.33 2b3i h ASN 34 N 8.27 -0.03 -0.17 1.11 4.21 -1.05 -3.40 115.58 124.51 2b3i h ASN 34 Ca -0.33 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2b3i h ASN 34 Cb 1.17 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2b3i h ASN 34 CO 0.62 0.16 0.00 2.29 -1.29 0.00 0.00 177.43 179.20 2b3i n LYS 35 N -3.10 0.00 -1.56 0.81 0.00 -1.04 -4.98 118.16 108.29 2b3i n LYS 35 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.15 2b3i n LYS 35 Cb 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.99 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 0.00 -0.10 -1.23 0.58 0.31 -1.26 -4.31 118.33 112.32 2b3i n VAL 36 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 2b3i n VAL 36 Cb 0.00 -1.69 0.14 0.00 -0.91 0.00 0.00 33.84 31.38 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 -1.09 -1.97 3.78 2.92 0.00 -1.26 -4.80 105.19 102.76 2b3i n GLY 37 Ca -0.16 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.68 0.83 0.00 1.61 0.04 -1.26 -5.17 135.00 126.36 2b3i s PRO 38 Ca 0.46 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2b3i s PRO 38 Cb -0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2b3i s PRO 38 CO 0.33 -2.39 0.00 0.72 0.04 0.00 0.00 177.00 175.70 2b3i n HIS 39 N -3.88 0.00 -3.95 0.56 8.25 -1.26 -4.91 115.22 110.04 2b3i n HIS 39 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2b3i n HIS 39 Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 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 1.00 -0.00 -0.41 0.41 4.22 -1.26 -3.44 114.94 115.45 2b3i s ASN 40 Ca 0.00 -0.07 0.11 0.00 -2.14 0.00 0.00 52.86 50.76 2b3i s ASN 40 Cb 0.00 0.05 0.40 0.00 1.28 0.00 0.00 41.25 42.98 2b3i s ASN 40 CO 0.00 -0.11 0.93 0.52 -2.04 0.00 0.00 177.10 176.41 2b3i n VAL 41 N -0.89 1.45 -2.65 3.54 0.31 -1.24 -4.77 118.33 114.08 2b3i n VAL 41 Ca 0.03 -4.42 -0.42 0.00 -0.01 0.00 0.00 64.34 59.53 2b3i n VAL 41 Cb 0.59 -0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 33.04 2b3i n VAL 41 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2b3i s ILE 42 N -3.80 4.05 0.57 2.52 1.01 -1.24 -3.46 121.20 120.85 2b3i s ILE 42 Ca 0.40 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 2b3i s ILE 42 Cb 0.38 -4.93 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2b3i s ILE 42 CO -0.08 -1.79 1.31 -0.36 0.00 0.00 0.00 174.94 174.01 2b3i s PHE 43 N 4.70 2.30 -0.07 3.97 0.08 -1.26 -2.42 117.98 125.29 2b3i s PHE 43 Ca 0.38 1.43 -0.18 0.00 0.12 0.00 0.00 56.93 58.68 2b3i s PHE 43 Cb -0.05 -3.70 -0.13 0.00 -0.57 0.00 0.00 43.02 38.57 2b3i s PHE 43 CO -0.01 -2.70 0.69 0.22 -0.10 0.00 0.00 175.22 173.32 2b3i h ASP 44 N 1.24 -0.18 0.00 1.36 1.82 0.21 -3.46 116.42 117.41 2b3i h ASP 44 Ca -0.51 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 55.82 2b3i h ASP 44 Cb 1.30 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2b3i h ASP 44 CO 0.56 0.39 0.00 0.29 -1.61 0.00 0.00 179.24 178.88 2b3i n LYS 45 N -4.90 0.00 -4.64 0.28 5.02 -1.19 -4.93 118.16 107.80 2b3i n LYS 45 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 2b3i n LYS 45 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 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 -1.80 1.59 0.68 -0.18 -7.23 -1.26 -3.77 120.40 108.42 2b3i s VAL 46 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 2b3i s VAL 46 Cb 0.00 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 2b3i s VAL 46 CO 0.00 0.00 1.06 -2.16 -0.31 0.00 0.00 175.10 173.69 2b3i s PRO 47 N -3.78 3.02 0.05 4.82 0.04 -1.26 -4.89 135.00 132.99 2b3i s PRO 47 Ca 0.25 1.00 -0.38 0.00 0.04 0.00 0.00 61.00 61.91 2b3i s PRO 47 Cb 0.07 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 32.42 2b3i s PRO 47 CO 0.13 -1.04 1.06 0.00 0.04 0.00 0.00 177.00 177.19 2b3i n ALA 48 N -2.92 -2.90 0.00 8.56 0.00 -1.26 -3.60 120.51 118.39 2b3i n ALA 48 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2b3i n ALA 48 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.76 2.16 1.40 0.00 0.00 -1.26 -4.89 105.19 104.36 2b3i n GLY 49 Ca 0.19 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.21 -3.58 1.61 0.00 -1.24 -4.98 120.64 112.24 2b3i n GLU 50 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 57.16 56.07 2b3i n GLU 50 Cb 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 31.44 30.92 2b3i n GLU 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2b3i n SER 51 N -3.20 1.98 -0.19 4.31 2.88 -1.26 -4.95 113.62 113.18 2b3i n SER 51 Ca 0.06 -3.00 -0.01 0.00 -1.33 0.00 0.00 58.87 54.59 2b3i n SER 51 Cb 0.21 -0.67 0.05 0.00 -0.75 0.00 0.00 64.21 63.05 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b3i h ALA 52 N 5.00 0.39 0.00 -1.46 0.00 -1.94 -1.07 119.26 120.18 2b3i h ALA 52 Ca 0.18 0.23 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 2b3i h ALA 52 Cb 0.79 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2b3i h ALA 52 CO 0.63 -0.43 0.17 -0.35 0.00 0.00 0.00 179.25 179.27 2b3i n PRO 53 N -5.40 1.64 0.00 0.00 -0.04 -1.26 -2.72 135.00 127.22 2b3i n PRO 53 Ca 0.06 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2b3i n PRO 53 Cb 0.31 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 2.76 0.35 0.04 0.55 0.00 -0.43 -4.91 120.51 118.87 2b3i n ALA 54 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 2b3i n ALA 54 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.18 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 0.48 -9.59 0.00 3.38 -1.29 -3.44 115.31 104.84 2b3i h LEU 55 Ca 0.00 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 57.13 2b3i h LEU 55 Cb 0.00 -0.14 0.09 0.00 0.09 0.00 0.00 40.66 40.71 2b3i h LEU 55 CO 0.00 0.93 0.47 -1.54 0.09 0.00 0.00 178.44 178.40 2b3i n SER 56 N -3.94 2.39 -3.62 -0.43 3.41 -1.14 -4.93 113.62 105.36 2b3i n SER 56 Ca -0.03 1.17 -0.28 0.00 -0.26 0.00 0.00 58.87 59.47 2b3i n SER 56 Cb 0.59 -1.40 -0.16 0.00 -0.26 0.00 0.00 64.21 62.99 2b3i n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2b3i s ASN 57 N -0.03 3.10 0.50 4.04 4.22 -1.22 -4.96 114.94 120.59 2b3i s ASN 57 Ca 0.64 -1.03 0.34 0.00 -2.14 0.00 0.00 52.86 50.66 2b3i s ASN 57 Cb -0.66 -0.41 1.57 0.00 1.28 0.00 0.00 41.25 43.04 2b3i s ASN 57 CO 0.55 -0.39 2.01 0.00 -2.04 0.00 0.00 177.10 177.23 2b3i h THR 58 N 6.44 0.00 -0.35 0.54 1.03 -1.93 -3.30 112.91 115.33 2b3i h THR 58 Ca -0.17 -0.26 -0.18 0.00 -0.01 0.00 0.00 66.41 65.79 2b3i h THR 58 Cb 1.07 1.15 -0.04 0.00 -1.07 0.00 0.00 68.15 69.27 2b3i h THR 58 CO 0.38 0.00 0.84 1.17 -0.01 0.00 0.00 175.52 177.90 2b3i n LYS 59 N -2.84 0.42 -1.56 0.00 4.81 -1.26 -4.79 118.16 112.94 2b3i n LYS 59 Ca -0.00 -0.48 -0.44 0.00 -0.87 0.00 0.00 58.31 56.52 2b3i n LYS 59 Cb 0.20 -2.79 -0.04 0.00 0.02 0.00 0.00 35.03 32.41 2b3i n LYS 59 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2b3i n LEU 60 N 14.27 2.90 -4.55 3.14 4.77 -1.26 -4.85 117.00 131.42 2b3i n LEU 60 Ca 0.53 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 56.29 2b3i n LEU 60 Cb 0.34 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 2b3i n LEU 60 CO 0.74 -0.79 1.56 0.00 -1.33 0.00 0.00 177.39 177.56 2b3i s ALA 61 N 8.56 2.26 -0.07 -1.18 0.00 -1.22 -4.82 121.76 125.29 2b3i s ALA 61 Ca 1.03 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 2b3i s ALA 61 Cb -0.43 -4.28 -0.17 0.00 0.00 0.00 0.00 23.12 18.23 2b3i s ALA 61 CO 0.37 -3.77 0.81 0.82 0.00 0.00 0.00 175.76 173.99 2b3i h ILE 62 N 6.80 1.06 -2.18 0.00 1.08 -1.91 -3.38 117.51 118.98 2b3i h ILE 62 Ca -0.26 -1.42 -0.58 0.00 -0.39 0.00 0.00 64.86 62.21 2b3i h ILE 62 Cb 1.15 1.86 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2b3i h ILE 62 CO 1.21 0.30 1.41 0.00 -0.69 0.00 0.00 178.15 180.39 2b3i s ALA 63 N -3.29 2.87 0.77 1.87 0.00 -1.26 -4.94 121.76 117.78 2b3i s ALA 63 Ca -0.13 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 2b3i s ALA 63 Cb -0.00 -4.03 0.05 0.00 0.00 0.00 0.00 23.12 19.14 2b3i s ALA 63 CO 0.51 -2.59 1.09 -1.25 0.00 0.00 0.00 175.76 173.51 2b3i s PRO 64 N 5.95 2.29 0.00 0.00 0.04 -1.26 -4.70 135.00 137.32 2b3i s PRO 64 Ca 0.95 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2b3i s PRO 64 Cb -0.32 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2b3i s PRO 64 CO 0.35 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.31 2b3i n GLY 65 N -2.09 1.89 0.00 0.56 0.00 -1.26 -5.03 105.19 99.26 2b3i n GLY 65 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.57 113.62 112.28 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 0.00 0.66 3.01 -0.12 -4.92 117.46 116.09 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 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 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 -2.17 0.00 -4.37 1.38 0.18 -1.16 -5.03 117.16 105.98 2b3i n TYR 68 Ca 0.00 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 2b3i n TYR 68 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 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 0.00 3.94 -0.19 9.48 0.01 -1.26 -1.66 113.70 124.02 2b3i s SER 69 Ca 0.00 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 2b3i s SER 69 Cb 0.00 -0.52 0.05 0.00 0.21 0.00 0.00 66.02 65.76 2b3i s SER 69 CO 0.00 0.07 0.50 0.68 0.41 0.00 0.00 173.24 174.90 2b3i s VAL 70 N -2.04 -0.00 -0.18 3.43 -7.23 -1.20 -4.99 120.40 108.18 2b3i s VAL 70 Ca 0.27 0.01 -0.16 0.00 -1.81 0.00 0.00 61.98 60.29 2b3i s VAL 70 Cb -0.07 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 2b3i s VAL 70 CO 0.15 0.00 0.39 -0.89 -0.31 0.00 0.00 175.10 174.44 2b3i s THR 71 N 0.45 5.22 0.45 5.32 2.01 -1.26 -1.28 115.64 126.55 2b3i s THR 71 Ca -0.01 0.71 0.08 0.00 0.31 0.00 0.00 61.69 62.78 2b3i s THR 71 Cb -0.04 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2b3i s THR 71 CO -0.02 0.30 0.57 -0.76 -0.69 0.00 0.00 174.62 174.02 2b3i s LEU 72 N 0.98 3.47 0.24 4.42 2.01 -0.48 -4.99 118.68 124.32 2b3i s LEU 72 Ca 0.20 -0.59 0.00 0.00 0.01 0.00 0.00 54.13 53.74 2b3i s LEU 72 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 46.19 43.76 2b3i s LEU 72 CO 0.07 -0.86 0.00 0.61 1.01 0.00 0.00 176.35 177.18 2b3i n GLY 73 N -1.86 -1.19 3.37 -3.19 0.00 -1.26 -1.76 105.19 99.30 2b3i n GLY 73 Ca 0.08 0.24 -0.57 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.07 0.00 -2.52 2.61 -1.04 -1.26 -4.20 114.28 104.80 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 -0.05 -0.04 0.00 -1.82 0.00 0.00 70.33 68.42 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 0.29 4.54 0.00 -2.82 0.04 -1.26 -4.68 135.00 131.11 2b3i s PRO 75 Ca 0.88 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2b3i s PRO 75 Cb -1.24 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2b3i s PRO 75 CO 0.57 0.15 0.00 0.41 0.04 0.00 0.00 177.00 178.17 2b3i n GLY 76 N 1.01 -0.01 3.27 0.56 0.00 -1.22 -4.81 105.19 103.98 2b3i n GLY 76 Ca 0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.45 3.64 0.10 2.61 2.01 -1.26 -1.38 115.64 119.91 2b3i s THR 77 Ca 0.00 -1.04 -0.26 0.00 0.31 0.00 0.00 61.69 60.71 2b3i s THR 77 Cb 0.00 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.45 2b3i s THR 77 CO 0.00 -0.06 0.79 -0.31 -0.69 0.00 0.00 174.62 174.35 2b3i s TYR 78 N 1.40 3.81 -0.02 4.92 1.51 0.49 -4.73 117.35 124.73 2b3i s TYR 78 Ca -0.01 1.57 0.07 0.00 -1.01 0.00 0.00 57.07 57.70 2b3i s TYR 78 Cb -0.19 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 38.82 2b3i s TYR 78 CO 0.02 0.36 -0.25 -1.54 -1.11 0.00 0.00 175.55 173.03 2b3i s SER 79 N -0.47 2.92 0.19 2.29 1.04 -1.25 0.10 113.70 118.54 2b3i s SER 79 Ca 0.38 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2b3i s SER 79 Cb -0.22 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 2b3i s SER 79 CO 0.25 0.30 0.13 0.72 0.98 0.00 0.00 173.24 175.62 2b3i s PHE 80 N -0.52 1.10 0.17 5.02 -0.71 -1.19 0.20 117.98 122.05 2b3i s PHE 80 Ca 0.08 -1.34 -0.21 0.00 -1.04 0.00 0.00 56.93 54.41 2b3i s PHE 80 Cb -0.10 -0.53 0.06 0.00 -1.21 0.00 0.00 43.02 41.24 2b3i s PHE 80 CO -0.00 -0.64 0.58 1.52 -1.34 0.00 0.00 175.22 175.33 2b3i s TYR 81 N -4.14 -0.43 0.43 3.49 -0.85 -1.02 -1.83 117.35 113.00 2b3i s TYR 81 Ca 0.37 0.18 -0.19 0.00 -0.52 0.00 0.00 57.07 56.91 2b3i s TYR 81 Cb 0.07 0.52 -0.10 0.00 0.38 0.00 0.00 41.96 42.83 2b3i s TYR 81 CO 0.11 -0.86 0.92 0.00 -1.52 0.00 0.00 175.55 174.19 2b3i h THR 83 N 1.69 1.06 -0.05 0.00 2.02 -1.91 -2.95 112.91 112.77 2b3i h THR 83 Ca -0.48 -1.78 -0.24 0.00 0.77 0.00 0.00 66.41 64.68 2b3i h THR 83 Cb 1.18 2.00 0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2b3i h THR 83 CO 0.62 0.36 -0.89 1.55 0.37 0.00 0.00 175.52 177.53 2b3i h PRO 84 N -1.00 0.70 -1.20 6.66 0.13 -1.93 -3.16 132.00 132.20 2b3i h PRO 84 Ca -0.00 -0.68 -0.36 0.00 -0.87 0.00 0.00 66.00 64.09 2b3i h PRO 84 Cb 0.59 0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.72 2b3i h PRO 84 CO 0.00 1.27 0.46 0.72 -0.23 0.00 0.00 178.00 180.23 2b3i n HIS 85 N -3.94 1.90 0.30 1.56 8.25 -1.26 -4.33 115.22 117.70 2b3i n HIS 85 Ca -0.10 -1.77 0.17 0.00 -0.26 0.00 0.00 57.72 55.77 2b3i n HIS 85 Cb 0.81 -0.88 0.74 0.00 1.12 0.00 0.00 29.99 31.78 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 1.10 0.00 0.00 -0.41 2.43 -1.48 -2.80 114.38 113.22 2b3i h ARG 86 Ca 0.38 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.36 2b3i h ARG 86 Cb 1.51 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.02 2b3i h ARG 86 CO 0.82 0.00 -1.97 0.41 -1.51 0.00 0.00 179.97 177.72 2b3i n GLY 87 N -0.15 -0.77 0.29 2.80 0.00 -1.26 -4.31 105.19 101.80 2b3i n GLY 87 Ca 0.00 -0.31 0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 1.02 1.21 -0.95 4.61 0.00 -1.79 -3.46 119.26 119.89 2b3i h ALA 88 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2b3i h ALA 88 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2b3i h ALA 88 CO 0.02 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2b3i n GLY 89 N -0.80 0.67 3.14 0.00 0.00 -1.11 -5.05 105.19 102.05 2b3i n GLY 89 Ca -0.02 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.59 3.35 0.05 1.61 1.00 -1.09 -4.88 119.30 117.76 2b3i s MET 90 Ca 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 55.69 52.55 2b3i s MET 90 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 34.83 30.77 2b3i s MET 90 CO 0.00 -1.25 -0.14 0.14 0.00 0.00 0.00 175.02 173.76 2b3i s VAL 91 N -1.19 1.13 0.00 -6.03 -7.23 -1.26 -0.16 120.40 105.66 2b3i s VAL 91 Ca 0.27 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2b3i s VAL 91 Cb -0.09 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.82 2b3i s VAL 91 CO -0.11 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2b3i n GLY 92 N 1.74 4.57 3.42 2.32 0.00 -0.76 -4.62 105.19 111.86 2b3i n GLY 92 Ca -0.19 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.16 0.02 -0.04 2.61 2.01 -1.22 -3.18 115.64 114.68 2b3i s THR 93 Ca 0.00 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 2b3i s THR 93 Cb 0.00 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.74 2b3i s THR 93 CO 0.00 -0.07 0.04 -0.63 -0.69 0.00 0.00 174.62 173.27 2b3i s ILE 94 N -0.64 -0.02 -0.05 1.82 1.01 0.12 -0.91 121.20 122.53 2b3i s ILE 94 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 2b3i s ILE 94 Cb -0.03 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2b3i s ILE 94 CO 0.05 0.16 0.06 -0.89 0.00 0.00 0.00 174.94 174.32 2b3i s THR 95 N 1.76 4.70 -0.58 2.92 2.01 0.15 0.19 115.64 126.79 2b3i s THR 95 Ca -0.00 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.80 2b3i s THR 95 Cb -0.12 -3.07 0.20 0.00 0.01 0.00 0.00 72.50 69.51 2b3i s THR 95 CO -0.03 0.48 0.52 0.52 -0.69 0.00 0.00 174.62 175.42 2b3i n VAL 96 N 1.65 0.77 1.91 3.82 0.31 -0.48 0.19 118.33 126.51 2b3i n VAL 96 Ca -0.16 -4.47 0.16 0.00 -0.01 0.00 0.00 64.34 59.85 2b3i n VAL 96 Cb 0.53 -2.00 0.88 0.00 -0.91 0.00 0.00 33.84 32.34 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72