#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 5.26 0.51 0.00 1.04 -1.26 -4.89 113.70 114.36 2b3i s SER 2 Ca 0.00 0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.96 2b3i s SER 2 Cb 0.00 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.78 2b3i s SER 2 CO 0.00 -1.26 0.28 0.68 0.98 0.00 0.00 173.24 173.92 2b3i s VAL 3 N -3.03 1.69 0.01 5.02 -7.23 -1.04 -5.01 120.40 110.81 2b3i s VAL 3 Ca 0.56 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 2b3i s VAL 3 Cb -0.11 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2b3i s VAL 3 CO 0.44 0.00 0.26 -1.10 -0.31 0.00 0.00 175.10 174.39 2b3i s GLN 4 N -4.13 0.68 -0.27 4.82 -0.21 -1.26 -0.12 119.66 119.18 2b3i s GLN 4 Ca 0.29 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.29 2b3i s GLN 4 Cb -0.00 0.29 0.04 0.00 1.00 0.00 0.00 33.01 34.34 2b3i s GLN 4 CO 0.18 -0.20 -0.04 0.42 -2.12 0.00 0.00 175.29 173.53 2b3i s ILE 5 N -1.85 2.84 0.24 1.08 -1.09 0.49 -4.67 121.20 118.23 2b3i s ILE 5 Ca -0.10 -1.22 -0.26 0.00 -2.23 0.00 0.00 60.65 56.83 2b3i s ILE 5 Cb -0.04 -2.53 -0.09 0.00 -1.58 0.00 0.00 42.46 38.22 2b3i s ILE 5 CO 0.01 0.06 0.87 -0.54 -1.23 0.00 0.00 174.94 174.11 2b3i s LYS 6 N 1.28 4.64 -0.36 2.79 1.02 0.22 -1.52 119.74 127.80 2b3i s LYS 6 Ca -0.03 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.23 2b3i s LYS 6 Cb -0.18 -3.11 0.09 0.00 -0.52 0.00 0.00 37.83 34.11 2b3i s LYS 6 CO -0.03 0.46 0.10 -1.64 -0.92 0.00 0.00 175.35 173.32 2b3i s MET 7 N -1.48 2.06 0.00 1.68 -1.94 0.65 -0.00 119.30 120.26 2b3i s MET 7 Ca 0.42 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 2b3i s MET 7 Cb -0.22 -3.37 0.00 0.00 2.01 0.00 0.00 34.83 33.24 2b3i s MET 7 CO 0.27 -0.89 0.00 0.41 -0.01 0.00 0.00 175.02 174.80 2b3i n GLY 8 N 4.54 2.45 3.61 -0.03 0.00 -0.68 -0.01 105.19 115.07 2b3i n GLY 8 Ca -0.05 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.33 3.42 -0.18 2.61 -4.23 0.10 -4.46 115.64 111.58 2b3i s THR 9 Ca 0.00 -1.54 0.23 0.00 -1.18 0.00 0.00 61.69 59.20 2b3i s THR 9 Cb 0.00 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.37 2b3i s THR 9 CO 0.00 -0.10 1.71 -0.78 -0.54 0.00 0.00 174.62 174.91 2b3i h ASP 10 N 2.86 0.00 -0.57 3.99 3.58 -1.98 -1.50 116.42 122.81 2b3i h ASP 10 Ca -0.47 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.60 2b3i h ASP 10 Cb 1.20 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 2b3i h ASP 10 CO 0.56 0.00 0.49 1.17 -2.88 0.00 0.00 179.24 178.58 2b3i n LYS 11 N -2.31 1.94 -3.07 0.28 4.81 -1.26 -4.80 118.16 113.75 2b3i n LYS 11 Ca -0.01 -1.86 -0.14 0.00 -0.87 0.00 0.00 58.31 55.43 2b3i n LYS 11 Cb 0.06 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.36 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2b3i n TYR 12 N 0.07 -1.73 -3.62 5.64 4.01 -0.57 -4.86 117.16 116.10 2b3i n TYR 12 Ca 0.36 0.22 -0.40 0.00 -0.16 0.00 0.00 57.90 57.92 2b3i n TYR 12 Cb 0.64 -1.57 -0.10 0.00 -0.31 0.00 0.00 39.34 38.00 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 -2.45 3.29 -1.21 -0.72 0.00 -1.17 -4.94 121.76 114.56 2b3i s ALA 13 Ca 0.24 -2.30 -0.21 0.00 0.00 0.00 0.00 51.96 49.70 2b3i s ALA 13 Cb -0.14 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 2b3i s ALA 13 CO 0.30 -1.73 1.82 -1.25 0.00 0.00 0.00 175.76 174.89 2b3i s PRO 14 N 1.37 3.24 0.04 0.00 0.04 -1.26 0.01 135.00 138.43 2b3i s PRO 14 Ca 0.04 -1.50 -0.03 0.00 0.04 0.00 0.00 61.00 59.55 2b3i s PRO 14 Cb -0.24 -5.38 -0.02 0.00 0.04 0.00 0.00 34.50 28.90 2b3i s PRO 14 CO 0.00 -3.07 0.02 -0.48 0.04 0.00 0.00 177.00 173.52 2b3i s LEU 15 N 7.53 2.15 -0.03 -3.56 0.05 -1.26 -4.23 118.68 119.32 2b3i s LEU 15 Ca 0.61 -0.68 -0.30 0.00 0.05 0.00 0.00 54.13 53.80 2b3i s LEU 15 Cb 0.01 0.34 -0.04 0.00 -2.05 0.00 0.00 46.19 44.44 2b3i s LEU 15 CO 0.09 -0.48 1.33 -0.31 -0.55 0.00 0.00 176.35 176.43 2b3i s TYR 16 N -2.74 2.93 -0.14 3.48 2.02 -1.26 -1.69 117.35 119.94 2b3i s TYR 16 Ca -0.04 0.94 0.03 0.00 -0.37 0.00 0.00 57.07 57.62 2b3i s TYR 16 Cb -0.00 -3.58 0.01 0.00 -0.40 0.00 0.00 41.96 37.98 2b3i s TYR 16 CO -0.05 -2.08 -0.22 -2.00 -1.57 0.00 0.00 175.55 169.63 2b3i s GLU 17 N 2.48 3.03 0.46 -0.62 2.12 1.00 -2.78 118.70 124.38 2b3i s GLU 17 Ca 0.61 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 55.01 2b3i s GLU 17 Cb -0.29 -2.43 0.11 0.00 0.26 0.00 0.00 34.13 31.79 2b3i s GLU 17 CO 0.24 0.00 0.51 -0.35 -0.54 0.00 0.00 175.26 175.12 2b3i n PRO 18 N 4.03 -1.21 -0.59 4.30 -0.04 -1.26 0.69 135.00 140.92 2b3i n PRO 18 Ca -0.20 -0.80 -0.02 0.00 -0.04 0.00 0.00 63.50 62.44 2b3i n PRO 18 Cb 0.52 -0.63 0.19 0.00 -0.04 0.00 0.00 33.50 33.54 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 -2.54 2.73 0.00 0.54 2.85 -1.12 -4.81 118.16 115.82 2b3i n LYS 19 Ca 0.07 -1.81 0.00 0.00 -1.05 0.00 0.00 58.31 55.52 2b3i n LYS 19 Cb 0.24 -1.86 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 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 0.07 0.00 -2.86 0.58 0.00 -1.26 -4.39 120.51 112.65 2b3i n ALA 20 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 2b3i n ALA 20 Cb 0.94 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.26 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 2.09 -0.02 0.00 2.96 -0.05 -4.95 118.68 118.72 2b3i s LEU 21 Ca 0.00 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2b3i s LEU 21 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 2b3i s LEU 21 CO 0.00 -0.07 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.26 2b3i s SER 22 N -0.56 1.73 0.13 3.68 0.15 -1.26 -1.28 113.70 116.30 2b3i s SER 22 Ca -0.04 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2b3i s SER 22 Cb -0.04 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2b3i s SER 22 CO -0.00 0.17 0.16 2.30 1.20 0.00 0.00 173.24 177.07 2b3i n ILE 23 N 2.82 0.00 -4.69 6.45 -5.35 0.24 -4.90 119.36 113.92 2b3i n ILE 23 Ca -0.15 -0.77 -0.31 0.00 -0.27 0.00 0.00 62.75 61.25 2b3i n ILE 23 Cb 0.55 0.44 -0.09 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.86 4.05 -0.60 7.28 0.01 -1.26 0.20 113.70 121.51 2b3i s SER 24 Ca 0.13 -1.54 -0.27 0.00 1.31 0.00 0.00 55.95 55.58 2b3i s SER 24 Cb -0.00 0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 2b3i s SER 24 CO 0.09 -0.70 1.64 0.00 0.41 0.00 0.00 173.24 174.68 2b3i s ALA 25 N -2.81 2.48 0.00 1.44 0.00 -1.17 -1.83 121.76 119.87 2b3i s ALA 25 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2b3i s ALA 25 Cb 0.05 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2b3i s ALA 25 CO 0.09 -3.46 0.00 0.41 0.00 0.00 0.00 175.76 172.80 2b3i n GLY 26 N 5.51 0.74 3.95 0.00 0.00 -1.08 -4.96 105.19 109.35 2b3i n GLY 26 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2b3i n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b3i s ASP 27 N -0.25 4.17 0.19 1.61 1.11 -0.76 -4.82 116.67 117.91 2b3i s ASP 27 Ca 0.00 0.09 0.09 0.00 0.18 0.00 0.00 52.55 52.91 2b3i s ASP 27 Cb 0.00 -0.48 -0.04 0.00 1.07 0.00 0.00 42.92 43.47 2b3i s ASP 27 CO 0.00 -2.01 -0.18 -0.89 1.18 0.00 0.00 175.17 173.28 2b3i s THR 28 N -3.38 1.90 -0.24 -1.27 2.01 -1.26 -1.97 115.64 111.43 2b3i s THR 28 Ca 0.66 -2.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.58 2b3i s THR 28 Cb -0.07 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.55 2b3i s THR 28 CO 0.47 -0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.36 2b3i s VAL 29 N -2.33 0.75 0.65 3.82 1.01 0.08 -2.49 120.40 121.90 2b3i s VAL 29 Ca 0.19 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2b3i s VAL 29 Cb -0.04 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.04 2b3i s VAL 29 CO 0.08 -0.37 0.94 -0.70 0.00 0.00 0.00 175.10 175.05 2b3i s GLU 30 N 1.72 2.38 -0.11 2.72 2.12 0.83 -2.78 118.70 125.59 2b3i s GLU 30 Ca 0.02 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 54.94 2b3i s GLU 30 Cb -0.17 -2.27 0.05 0.00 0.26 0.00 0.00 34.13 32.00 2b3i s GLU 30 CO -0.14 -1.03 0.25 -0.06 -0.54 0.00 0.00 175.26 173.73 2b3i s PHE 31 N -3.09 -0.35 0.02 5.30 0.40 -0.95 0.19 117.98 119.49 2b3i s PHE 31 Ca 0.58 0.83 0.05 0.00 -0.60 0.00 0.00 56.93 57.80 2b3i s PHE 31 Cb -0.11 0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.43 2b3i s PHE 31 CO 0.43 -0.26 -0.16 0.54 0.70 0.00 0.00 175.22 176.47 2b3i s VAL 32 N 1.52 1.26 -0.33 -0.44 0.11 -0.58 -2.14 120.40 119.82 2b3i s VAL 32 Ca -0.07 -0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 57.91 2b3i s VAL 32 Cb -0.11 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2b3i s VAL 32 CO -0.09 0.20 0.59 -0.32 -3.33 0.00 0.00 175.10 172.16 2b3i s MET 33 N -0.77 3.77 -0.01 1.54 1.75 -0.94 -0.26 119.30 124.38 2b3i s MET 33 Ca 0.05 0.10 -0.02 0.00 -1.25 0.00 0.00 55.69 54.58 2b3i s MET 33 Cb -0.07 -3.77 -0.01 0.00 2.84 0.00 0.00 34.83 33.82 2b3i s MET 33 CO 0.00 -0.63 0.25 -0.91 -0.65 0.00 0.00 175.02 173.09 2b3i h ASN 34 N 8.33 -0.05 -0.36 1.11 4.21 -0.66 -3.39 115.58 124.78 2b3i h ASN 34 Ca -0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2b3i h ASN 34 Cb 1.12 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 2b3i h ASN 34 CO 0.80 0.04 0.00 2.29 -1.29 0.00 0.00 177.43 179.26 2b3i n LYS 35 N -2.54 0.00 -4.05 0.81 -0.00 -1.14 -4.99 118.16 106.25 2b3i n LYS 35 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.98 2b3i n LYS 35 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.05 2b3i n LYS 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2b3i n VAL 36 N 0.00 -1.83 -1.23 0.58 3.14 -1.26 -4.42 118.33 113.31 2b3i n VAL 36 Ca 0.00 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2b3i n VAL 36 Cb 0.00 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.44 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 -1.59 0.46 3.70 7.55 0.00 -1.26 -4.87 105.19 109.18 2b3i n GLY 37 Ca -0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.27 -2.22 -2.81 1.61 -0.04 -1.26 -5.09 135.00 124.91 2b3i n PRO 38 Ca 0.00 -1.91 -0.08 0.00 -0.04 0.00 0.00 63.50 61.47 2b3i n PRO 38 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -4.35 -0.13 -3.37 0.54 8.25 -1.26 -4.79 115.22 110.11 2b3i n HIS 39 Ca 0.16 -0.95 -0.01 0.00 -0.26 0.00 0.00 57.72 56.65 2b3i n HIS 39 Cb 0.59 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.76 2b3i n HIS 39 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2b3i n ASN 40 N -2.24 -0.45 -3.56 0.41 6.94 -1.26 -2.91 115.26 112.19 2b3i n ASN 40 Ca 0.01 -1.27 -0.29 0.00 -0.02 0.00 0.00 54.58 53.00 2b3i n ASN 40 Cb 0.21 0.74 -0.13 0.00 -2.36 0.00 0.00 39.78 38.24 2b3i n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2b3i s VAL 41 N -2.61 0.60 -0.24 3.53 1.01 -1.22 -4.84 120.40 116.62 2b3i s VAL 41 Ca 0.04 -1.97 0.02 0.00 0.00 0.00 0.00 61.98 60.07 2b3i s VAL 41 Cb -0.01 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.99 2b3i s VAL 41 CO 0.02 -0.94 -0.12 -0.63 0.00 0.00 0.00 175.10 173.42 2b3i s ILE 42 N 0.86 2.20 0.66 2.22 -1.09 -1.20 -1.43 121.20 123.42 2b3i s ILE 42 Ca 0.17 -1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.03 2b3i s ILE 42 Cb -0.23 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2b3i s ILE 42 CO -0.01 0.10 1.05 -0.36 -1.23 0.00 0.00 174.94 174.49 2b3i s PHE 43 N 1.15 3.31 -0.22 3.97 0.08 -1.26 -0.61 117.98 124.42 2b3i s PHE 43 Ca -0.06 1.37 -0.19 0.00 0.12 0.00 0.00 56.93 58.18 2b3i s PHE 43 Cb -0.18 -2.82 -0.18 0.00 -0.57 0.00 0.00 43.02 39.26 2b3i s PHE 43 CO -0.07 -1.00 0.13 -3.47 -0.10 0.00 0.00 175.22 170.71 2b3i n ASP 44 N -2.92 1.89 0.00 1.36 2.03 0.35 -4.78 116.55 114.48 2b3i n ASP 44 Ca 0.07 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.77 2b3i n ASP 44 Cb 0.54 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 2b3i n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2b3i n LYS 45 N -4.33 0.00 -4.39 -0.67 5.02 -1.19 -4.85 118.16 107.74 2b3i n LYS 45 Ca -0.36 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.71 2b3i n LYS 45 Cb 0.74 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.64 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 -1.40 2.09 0.78 -0.18 -7.23 -1.26 -3.73 120.40 109.46 2b3i s VAL 46 Ca 0.00 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 57.88 2b3i s VAL 46 Cb 0.00 -2.09 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2b3i s VAL 46 CO 0.00 -0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 173.33 2b3i s PRO 47 N -3.24 2.26 0.01 4.82 0.04 -1.26 -4.80 135.00 132.83 2b3i s PRO 47 Ca 0.23 0.70 -0.39 0.00 0.04 0.00 0.00 61.00 61.58 2b3i s PRO 47 Cb -0.04 -1.93 -0.20 0.00 0.04 0.00 0.00 34.50 32.36 2b3i s PRO 47 CO 0.10 -1.51 1.04 0.00 0.04 0.00 0.00 177.00 176.67 2b3i n ALA 48 N -3.37 -3.62 0.00 8.56 0.00 -1.26 -3.32 120.51 117.50 2b3i n ALA 48 Ca 0.07 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2b3i n ALA 48 Cb 0.56 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.52 2.49 2.15 0.00 0.00 -1.26 -4.91 105.19 105.17 2b3i n GLY 49 Ca 0.20 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 0.57 -3.54 1.61 0.00 -1.21 -4.93 120.64 113.14 2b3i n GLU 50 Ca 0.00 -1.64 -0.27 0.00 0.00 0.00 0.00 57.16 55.25 2b3i n GLU 50 Cb 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 31.44 31.12 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 -2.75 0.94 0.01 4.31 2.88 -1.26 -4.89 113.62 112.86 2b3i n SER 51 Ca 0.09 -2.73 -0.10 0.00 -1.33 0.00 0.00 58.87 54.80 2b3i n SER 51 Cb 0.33 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 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 5.34 -0.14 0.00 -1.46 0.00 -1.93 -2.27 119.26 118.80 2b3i h ALA 52 Ca 0.21 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2b3i h ALA 52 Cb 0.84 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2b3i h ALA 52 CO 0.52 -0.64 0.16 -0.35 0.00 0.00 0.00 179.25 178.94 2b3i n PRO 53 N -5.32 1.62 0.00 0.00 -0.04 -1.26 -2.73 135.00 127.28 2b3i n PRO 53 Ca -0.03 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 2b3i n PRO 53 Cb 0.23 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.40 0.08 0.55 0.00 -0.89 -4.90 120.51 118.51 2b3i n ALA 54 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 2b3i n ALA 54 Cb 0.64 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.24 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 0.31 -9.06 0.00 3.38 -1.27 -3.44 115.31 105.23 2b3i h LEU 55 Ca 0.00 -0.15 -0.81 0.00 0.09 0.00 0.00 57.88 57.01 2b3i h LEU 55 Cb 0.00 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2b3i h LEU 55 CO 0.00 0.76 0.64 -1.20 0.09 0.00 0.00 178.44 178.74 2b3i n SER 56 N -3.95 1.41 -4.10 -0.43 7.64 -1.16 -4.93 113.62 108.11 2b3i n SER 56 Ca -0.02 1.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.72 2b3i n SER 56 Cb 0.55 -0.99 -0.17 0.00 -1.01 0.00 0.00 64.21 62.60 2b3i n SER 56 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2b3i s ASN 57 N 2.52 2.50 -0.29 6.43 3.84 -0.52 -4.99 114.94 124.43 2b3i s ASN 57 Ca 0.99 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 53.63 2b3i s ASN 57 Cb -1.30 -1.14 0.33 0.00 -0.55 0.00 0.00 41.25 38.60 2b3i s ASN 57 CO 0.71 0.06 1.68 1.07 -2.79 0.00 0.00 177.10 177.82 2b3i n THR 58 N 3.93 2.45 -2.23 -5.21 5.66 -1.26 -3.43 114.28 114.18 2b3i n THR 58 Ca -0.20 -1.32 -0.42 0.00 -3.05 0.00 0.00 64.05 59.06 2b3i n THR 58 Cb 0.52 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 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 -0.24 3.57 -1.67 1.09 4.81 -1.26 -4.97 118.16 119.49 2b3i n LYS 59 Ca 0.34 -3.40 -0.47 0.00 -0.87 0.00 0.00 58.31 53.91 2b3i n LYS 59 Cb 0.98 -2.96 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 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 4.03 3.04 -4.45 3.14 4.32 -1.26 -4.89 117.00 120.95 2b3i n LEU 60 Ca 0.42 1.06 -0.44 0.00 -0.02 0.00 0.00 56.01 57.04 2b3i n LEU 60 Cb 0.36 -1.39 -0.08 0.00 -1.62 0.00 0.00 43.42 40.69 2b3i n LEU 60 CO 0.83 -0.30 0.16 0.00 -1.22 0.00 0.00 177.39 176.85 2b3i s ALA 61 N 1.65 3.45 -0.08 -1.18 0.00 -1.15 -4.92 121.76 119.53 2b3i s ALA 61 Ca 0.83 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 2b3i s ALA 61 Cb -0.71 -3.15 -0.20 0.00 0.00 0.00 0.00 23.12 19.06 2b3i s ALA 61 CO 0.42 -1.76 0.89 0.82 0.00 0.00 0.00 175.76 176.14 2b3i h ILE 62 N 5.78 1.31 -3.99 0.00 5.03 -1.91 -3.36 117.51 120.38 2b3i h ILE 62 Ca -0.27 -1.59 -0.53 0.00 -0.12 0.00 0.00 64.86 62.34 2b3i h ILE 62 Cb 1.11 2.31 0.10 0.00 -3.03 0.00 0.00 36.82 37.30 2b3i h ILE 62 CO 0.87 0.38 0.61 0.00 -0.68 0.00 0.00 178.15 179.33 2b3i s ALA 63 N -3.23 3.10 0.09 1.87 0.00 -1.26 -4.88 121.76 117.45 2b3i s ALA 63 Ca -0.15 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2b3i s ALA 63 Cb -0.01 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2b3i s ALA 63 CO 0.59 -1.03 1.16 -1.25 0.00 0.00 0.00 175.76 175.23 2b3i s PRO 64 N -2.52 4.48 0.00 0.00 0.04 -1.26 -4.86 135.00 130.88 2b3i s PRO 64 Ca 0.62 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2b3i s PRO 64 Cb -0.39 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2b3i s PRO 64 CO 0.48 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.78 2b3i n GLY 65 N 2.87 -0.71 2.79 0.56 0.00 -1.26 -5.09 105.19 104.35 2b3i n GLY 65 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2b3i n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b3i s SER 66 N -4.00 3.55 0.00 1.61 0.15 -1.26 -2.22 113.70 111.53 2b3i s SER 66 Ca 0.00 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2b3i s SER 66 Cb 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2b3i s SER 66 CO 0.00 -0.33 0.74 0.49 1.20 0.00 0.00 173.24 175.34 2b3i n PHE 67 N 4.88 0.00 0.00 3.44 3.01 -0.91 -4.92 117.46 122.96 2b3i n PHE 67 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2b3i n PHE 67 Cb 0.45 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 -2.29 0.00 -4.40 1.38 0.18 -1.22 -5.05 117.16 105.75 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 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 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 4.04 -0.21 9.48 1.04 -1.26 -2.25 113.70 124.53 2b3i s SER 69 Ca 0.00 -1.02 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 2b3i s SER 69 Cb 0.00 -0.49 0.06 0.00 0.10 0.00 0.00 66.02 65.69 2b3i s SER 69 CO 0.00 -0.18 0.57 0.68 0.98 0.00 0.00 173.24 175.28 2b3i s VAL 70 N -2.53 -0.00 0.12 5.02 -7.23 -1.12 -4.98 120.40 109.68 2b3i s VAL 70 Ca 0.33 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 2b3i s VAL 70 Cb -0.00 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2b3i s VAL 70 CO 0.18 0.00 0.27 -0.89 -0.31 0.00 0.00 175.10 174.36 2b3i s THR 71 N 0.48 5.33 0.36 5.32 2.01 -1.26 -0.74 115.64 127.14 2b3i s THR 71 Ca -0.01 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.58 2b3i s THR 71 Cb -0.04 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 2b3i s THR 71 CO -0.02 0.01 0.02 -0.76 -0.69 0.00 0.00 174.62 173.18 2b3i s LEU 72 N -2.88 2.54 -0.34 4.42 1.43 -0.83 -4.98 118.68 118.04 2b3i s LEU 72 Ca 0.36 -1.34 0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2b3i s LEU 72 Cb -0.12 -0.66 0.42 0.00 0.03 0.00 0.00 46.19 45.86 2b3i s LEU 72 CO 0.28 -0.49 1.42 0.61 0.23 0.00 0.00 176.35 178.40 2b3i n GLY 73 N -0.80 1.86 3.02 -3.19 0.00 -1.26 -2.64 105.19 102.18 2b3i n GLY 73 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.60 -0.09 0.31 2.61 2.01 -1.26 -4.91 115.64 113.71 2b3i s THR 74 Ca 0.15 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 2b3i s THR 74 Cb 0.42 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.48 2b3i s THR 74 CO -0.10 0.07 1.07 -2.16 -0.69 0.00 0.00 174.62 172.81 2b3i s PRO 75 N 1.41 4.52 0.00 4.92 0.04 -1.26 -4.54 135.00 140.09 2b3i s PRO 75 Ca -0.08 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2b3i s PRO 75 Cb -0.11 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2b3i s PRO 75 CO -0.08 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2b3i n GLY 76 N 0.98 1.02 3.48 0.56 0.00 -1.23 -4.93 105.19 105.07 2b3i n GLY 76 Ca 0.01 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.01 4.30 0.05 2.61 -1.32 -1.26 -0.63 115.64 118.38 2b3i s THR 77 Ca 0.00 -0.19 -0.07 0.00 -1.21 0.00 0.00 61.69 60.22 2b3i s THR 77 Cb 0.00 -2.98 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 2b3i s THR 77 CO 0.00 0.38 0.32 -0.31 -2.21 0.00 0.00 174.62 172.81 2b3i s TYR 78 N 1.24 3.56 -0.03 9.09 2.02 0.53 -4.67 117.35 129.09 2b3i s TYR 78 Ca 0.04 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.43 2b3i s TYR 78 Cb -0.15 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2b3i s TYR 78 CO 0.03 0.56 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.82 2b3i s SER 79 N -1.85 2.44 0.34 2.29 1.04 -1.24 -0.99 113.70 115.72 2b3i s SER 79 Ca 0.31 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2b3i s SER 79 Cb -0.13 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2b3i s SER 79 CO 0.18 0.23 0.43 0.72 0.98 0.00 0.00 173.24 175.78 2b3i s PHE 80 N -0.30 1.24 0.33 5.02 -0.71 -1.09 0.13 117.98 122.60 2b3i s PHE 80 Ca 0.03 -1.39 -0.13 0.00 -1.04 0.00 0.00 56.93 54.40 2b3i s PHE 80 Cb -0.10 -0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.50 2b3i s PHE 80 CO 0.01 -1.07 0.63 1.52 -1.34 0.00 0.00 175.22 174.96 2b3i s TYR 81 N -3.13 0.36 -0.34 3.49 -0.85 0.23 -3.37 117.35 113.74 2b3i s TYR 81 Ca 0.33 -0.82 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 2b3i s TYR 81 Cb 0.00 0.44 0.10 0.00 0.38 0.00 0.00 41.96 42.88 2b3i s TYR 81 CO 0.22 -1.28 0.07 0.00 -1.52 0.00 0.00 175.55 173.05 2b3i n THR 83 N 4.41 -0.35 -2.47 0.00 -1.04 -1.26 -2.22 114.28 111.34 2b3i n THR 83 Ca 0.02 1.28 -0.42 0.00 -2.04 0.00 0.00 64.05 62.90 2b3i n THR 83 Cb 0.42 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 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 -5.31 4.51 0.00 -2.82 0.04 -1.26 -2.44 135.00 127.72 2b3i s PRO 84 Ca -0.07 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2b3i s PRO 84 Cb 0.07 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2b3i s PRO 84 CO 0.34 -0.10 0.00 0.72 0.04 0.00 0.00 177.00 178.00 2b3i n HIS 85 N 3.20 0.00 -0.33 0.56 8.25 -1.26 -4.87 115.22 120.78 2b3i n HIS 85 Ca 0.06 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.77 2b3i n HIS 85 Cb 0.46 0.00 0.48 0.00 1.12 0.00 0.00 29.99 32.06 2b3i n HIS 85 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2b3i h ARG 86 N 2.64 0.14 -0.36 -0.41 0.11 -1.10 1.62 114.38 117.01 2b3i h ARG 86 Ca 0.00 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 2b3i h ARG 86 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 2b3i h ARG 86 CO 0.00 0.09 -0.23 0.78 0.10 0.00 0.00 179.97 180.71 2b3i h GLY 87 N 0.14 0.78 2.00 0.08 0.00 -1.88 -1.88 103.07 102.32 2b3i h GLY 87 Ca 0.75 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2b3i h GLY 87 CO -0.71 0.60 0.00 0.00 0.00 0.00 0.00 176.54 176.43 2b3i n ALA 88 N -2.50 1.25 -0.70 3.60 0.00 0.55 -4.86 120.51 117.84 2b3i n ALA 88 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2b3i n ALA 88 Cb 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.06 2.68 0.00 0.00 -0.70 -4.96 105.19 101.39 2b3i n GLY 89 Ca -0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 2b3i n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b3i s MET 90 N -1.00 1.49 0.08 1.61 0.00 -1.25 -4.61 119.30 115.61 2b3i s MET 90 Ca 0.00 -2.37 0.08 0.00 0.00 0.00 0.00 55.69 53.40 2b3i s MET 90 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 34.83 32.42 2b3i s MET 90 CO 0.00 -1.25 -0.21 0.14 0.00 0.00 0.00 175.02 173.70 2b3i s VAL 91 N -0.18 1.72 0.07 10.11 -7.23 -1.26 -2.96 120.40 120.67 2b3i s VAL 91 Ca 0.23 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2b3i s VAL 91 Cb -0.12 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2b3i s VAL 91 CO -0.09 0.07 0.04 -0.83 -0.31 0.00 0.00 175.10 173.98 2b3i s GLY 92 N -1.58 0.44 0.09 2.32 0.00 -1.22 -4.47 107.32 102.90 2b3i s GLY 92 Ca 0.07 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.76 2b3i s GLY 92 CO 0.03 -1.19 -0.14 -1.59 0.00 0.00 0.00 173.10 170.21 2b3i s THR 93 N -3.92 1.22 -0.11 0.90 2.01 -1.26 -2.67 115.64 111.81 2b3i s THR 93 Ca 0.09 -1.48 -0.04 0.00 0.31 0.00 0.00 61.69 60.56 2b3i s THR 93 Cb 0.07 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.35 2b3i s THR 93 CO -0.09 -0.30 0.18 -0.63 -0.69 0.00 0.00 174.62 173.10 2b3i s ILE 94 N -1.63 -0.28 0.18 1.82 1.01 -0.16 -0.87 121.20 121.27 2b3i s ILE 94 Ca 0.03 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2b3i s ILE 94 Cb -0.08 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2b3i s ILE 94 CO 0.03 0.07 0.13 0.28 0.00 0.00 0.00 174.94 175.44 2b3i s THR 95 N 2.31 4.39 -0.52 2.92 -1.32 -0.40 0.20 115.64 123.22 2b3i s THR 95 Ca 0.03 -1.18 0.06 0.00 -1.21 0.00 0.00 61.69 59.40 2b3i s THR 95 Cb -0.13 -3.26 0.23 0.00 -1.51 0.00 0.00 72.50 67.83 2b3i s THR 95 CO -0.07 -0.15 0.57 0.52 -2.21 0.00 0.00 174.62 173.28 2b3i n VAL 96 N -0.48 0.62 1.12 5.08 0.31 0.20 0.79 118.33 125.98 2b3i n VAL 96 Ca -0.08 -4.47 0.09 0.00 -0.01 0.00 0.00 64.34 59.86 2b3i n VAL 96 Cb 0.55 -2.00 0.53 0.00 -0.91 0.00 0.00 33.84 32.02 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72