#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bv2 s LYS 2 N 0.00 0.08 0.01 1.61 2.20 -0.38 -4.37 119.74 118.89 2bv2 s LYS 2 Ca 0.00 0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.12 2bv2 s LYS 2 Cb 0.00 -0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 2bv2 s LYS 2 CO 0.00 -0.22 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.12 2bv2 s ILE 3 N 1.59 1.23 -0.16 5.43 2.07 -0.20 -1.21 121.20 129.95 2bv2 s ILE 3 Ca -0.05 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 2bv2 s ILE 3 Cb -0.12 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.43 2bv2 s ILE 3 CO -0.06 0.20 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.35 2bv2 s ILE 4 N -0.60 1.88 -0.13 2.00 1.01 0.53 0.04 121.20 125.94 2bv2 s ILE 4 Ca 0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 2bv2 s ILE 4 Cb -0.07 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2bv2 s ILE 4 CO 0.00 0.51 0.13 -0.76 0.00 0.00 0.00 174.94 174.82 2bv2 s LEU 5 N 1.21 4.29 0.00 2.97 1.43 0.54 -1.04 118.68 128.07 2bv2 s LEU 5 Ca 0.01 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2bv2 s LEU 5 Cb -0.14 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2bv2 s LEU 5 CO -0.09 0.37 -0.23 -0.36 0.23 0.00 0.00 176.35 176.27 2bv2 s PHE 6 N -0.80 2.02 0.19 0.29 0.08 -0.07 -0.57 117.98 119.12 2bv2 s PHE 6 Ca 0.14 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.72 2bv2 s PHE 6 Cb -0.12 -1.27 0.09 0.00 -0.57 0.00 0.00 43.02 41.15 2bv2 s PHE 6 CO 0.03 0.01 1.65 1.49 -0.10 0.00 0.00 175.22 178.30 2bv2 h GLU 7 N 5.36 1.06 -6.21 0.44 4.81 -0.76 -0.71 114.58 118.57 2bv2 h GLU 7 Ca -0.42 -0.33 -0.55 0.00 -0.13 0.00 0.00 59.36 57.93 2bv2 h GLU 7 Cb 1.14 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 2bv2 h GLU 7 CO 0.46 1.03 -0.62 -0.51 -0.73 0.00 0.00 179.01 178.64 2bv2 s ASP 8 N -6.59 4.76 0.95 1.04 1.01 -0.82 -3.46 116.67 113.56 2bv2 s ASP 8 Ca -0.12 -0.54 -0.11 0.00 0.71 0.00 0.00 52.55 52.49 2bv2 s ASP 8 Cb 0.14 -0.97 0.14 0.00 1.01 0.00 0.00 42.92 43.23 2bv2 s ASP 8 CO 0.86 -0.00 1.01 1.33 0.21 0.00 0.00 175.17 178.57 2bv2 n VAL 9 N -0.90 0.00 -2.53 -1.27 0.24 -1.26 -3.35 118.33 109.26 2bv2 n VAL 9 Ca -0.07 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.34 61.97 2bv2 n VAL 9 Cb 0.58 -0.93 -0.00 0.00 -1.47 0.00 0.00 33.84 32.02 2bv2 n VAL 9 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bv2 n GLU 10 N -3.88 -2.31 -2.49 7.34 -0.58 0.40 -2.49 120.64 116.63 2bv2 n GLU 10 Ca 0.10 0.88 -0.17 0.00 -0.42 0.00 0.00 57.16 57.54 2bv2 n GLU 10 Cb 0.53 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.84 2bv2 n GLU 10 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2bv2 n PHE 11 N -3.92 -1.05 -2.73 -0.32 3.01 -1.22 -5.01 117.46 106.22 2bv2 n PHE 11 Ca -0.20 0.13 -0.21 0.00 1.01 0.00 0.00 57.45 58.18 2bv2 n PHE 11 Cb 0.65 -3.57 0.06 0.00 -0.01 0.00 0.00 39.48 36.61 2bv2 n PHE 11 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2bv2 s GLY 12 N -2.38 1.81 0.00 1.37 0.00 -1.04 -4.99 107.32 102.09 2bv2 s GLY 12 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.18 2bv2 s GLY 12 CO 0.09 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.57 2bv2 n GLY 13 N -2.40 -0.89 3.77 0.20 0.00 -1.26 -1.94 105.19 102.66 2bv2 n GLY 13 Ca 0.11 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2bv2 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bv2 s LYS 14 N 0.00 3.92 0.12 1.61 2.20 -1.26 -4.69 119.74 121.64 2bv2 s LYS 14 Ca 0.00 2.13 0.07 0.00 -0.36 0.00 0.00 55.97 57.81 2bv2 s LYS 14 Cb 0.00 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2bv2 s LYS 14 CO 0.00 -0.52 -0.17 -1.59 -0.36 0.00 0.00 175.35 172.71 2bv2 s LYS 15 N -2.30 1.07 -0.13 4.03 -2.85 -1.26 -0.37 119.74 117.93 2bv2 s LYS 15 Ca 0.58 -1.20 -0.02 0.00 -1.00 0.00 0.00 55.97 54.33 2bv2 s LYS 15 Cb -0.37 -1.13 0.04 0.00 -2.06 0.00 0.00 37.83 34.31 2bv2 s LYS 15 CO 0.48 0.24 -0.01 -1.17 0.10 0.00 0.00 175.35 174.99 2bv2 s LEU 16 N -2.22 1.00 -0.14 2.77 2.96 0.26 -4.97 118.68 118.35 2bv2 s LEU 16 Ca 0.08 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 2bv2 s LEU 16 Cb -0.07 -0.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 2bv2 s LEU 16 CO 0.04 -0.22 0.36 -0.70 -1.32 0.00 0.00 176.35 174.52 2bv2 s GLU 17 N 1.85 4.26 0.02 1.98 2.12 -1.26 -0.34 118.70 127.33 2bv2 s GLU 17 Ca 0.03 0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.65 2bv2 s GLU 17 Cb -0.14 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 2bv2 s GLU 17 CO -0.07 0.24 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.20 2bv2 s LEU 18 N 0.43 2.10 -0.02 2.70 1.43 0.11 -5.00 118.68 120.43 2bv2 s LEU 18 Ca 0.20 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2bv2 s LEU 18 Cb -0.14 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.24 2bv2 s LEU 18 CO 0.07 0.17 0.92 -0.62 0.23 0.00 0.00 176.35 177.12 2bv2 n GLU 19 N 2.24 1.97 -3.86 1.70 1.02 -1.26 -1.03 120.64 121.42 2bv2 n GLU 19 Ca -0.16 -1.45 -0.09 0.00 -0.02 0.00 0.00 57.16 55.44 2bv2 n GLU 19 Cb 0.54 -0.95 -0.07 0.00 -0.02 0.00 0.00 31.44 30.94 2bv2 n GLU 19 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2bv2 s THR 20 N -1.05 0.10 0.61 2.62 -1.32 -1.26 -4.65 115.64 110.69 2bv2 s THR 20 Ca 0.05 -1.16 -0.17 0.00 -1.21 0.00 0.00 61.69 59.20 2bv2 s THR 20 Cb 0.04 -1.52 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2bv2 s THR 20 CO 0.00 -0.45 1.14 -0.94 -2.21 0.00 0.00 174.62 172.17 2bv2 s SER 21 N -2.89 5.30 -0.15 8.08 1.04 -1.26 -4.87 113.70 118.94 2bv2 s SER 21 Ca 0.09 2.16 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 2bv2 s SER 21 Cb 0.04 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.64 2bv2 s SER 21 CO -0.07 -1.51 0.08 -0.69 0.98 0.00 0.00 173.24 172.03 2bv2 s VAL 22 N -1.96 0.01 -0.17 5.02 1.01 0.21 -5.01 120.40 119.52 2bv2 s VAL 22 Ca 0.72 -0.13 0.27 0.00 0.00 0.00 0.00 61.98 62.84 2bv2 s VAL 22 Cb -0.24 -0.58 0.33 0.00 0.00 0.00 0.00 36.38 35.90 2bv2 s VAL 22 CO 0.34 -0.19 1.76 0.77 0.00 0.00 0.00 175.10 177.79 2bv2 h SER 23 N 8.39 0.00 -2.28 3.32 4.64 -1.89 -1.29 113.55 124.45 2bv2 h SER 23 Ca -0.15 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.79 2bv2 h SER 23 Cb 1.14 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.88 2bv2 h SER 23 CO 0.28 0.05 -0.67 -0.62 -0.87 0.00 0.00 176.83 174.99 2bv2 s ASP 24 N -6.02 2.07 0.50 4.97 2.15 -1.26 0.10 116.67 119.18 2bv2 s ASP 24 Ca 0.04 -0.95 0.33 0.00 0.43 0.00 0.00 52.55 52.40 2bv2 s ASP 24 Cb 0.07 0.31 1.78 0.00 -0.30 0.00 0.00 42.92 44.78 2bv2 s ASP 24 CO 0.62 -0.39 2.00 -0.07 -0.17 0.00 0.00 175.17 177.16 2bv2 h LEU 25 N 8.20 0.00 -1.93 -1.34 3.38 -0.81 -1.84 115.31 120.96 2bv2 h LEU 25 Ca -0.13 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.97 2bv2 h LEU 25 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2bv2 h LEU 25 CO 0.35 0.00 0.35 0.78 0.09 0.00 0.00 178.44 180.01 2bv2 h ASN 26 N 0.00 0.07 -0.05 -0.43 2.35 -1.87 -1.41 115.58 114.24 2bv2 h ASN 26 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2bv2 h ASN 26 Cb 0.04 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2bv2 h ASN 26 CO 0.00 0.04 0.05 -0.37 -1.65 0.00 0.00 177.43 175.49 2bv2 h VAL 27 N 0.07 0.78 -0.32 2.81 -1.51 -1.75 -1.28 116.25 115.05 2bv2 h VAL 27 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 2bv2 h VAL 27 Cb 0.85 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2bv2 h VAL 27 CO -0.02 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.73 2bv2 n HIS 28 N -4.23 0.67 -2.11 5.19 8.25 -0.77 -4.99 115.22 117.23 2bv2 n HIS 28 Ca -0.02 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.67 2bv2 n HIS 28 Cb 0.15 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2bv2 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bv2 n GLY 29 N 0.16 0.09 0.10 -1.41 0.00 -0.48 -4.91 105.19 98.73 2bv2 n GLY 29 Ca 0.16 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2bv2 n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bv2 n PHE 30 N -3.78 0.00 -2.56 1.61 3.01 -0.60 -4.98 117.46 110.16 2bv2 n PHE 30 Ca -0.15 -0.85 -0.42 0.00 1.01 0.00 0.00 57.45 57.04 2bv2 n PHE 30 Cb 0.59 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 2bv2 n PHE 30 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2bv2 s ASN 31 N -2.47 7.23 -1.46 4.37 2.47 -1.23 -4.00 114.94 119.85 2bv2 s ASN 31 Ca 0.25 1.86 -0.09 0.00 0.42 0.00 0.00 52.86 55.30 2bv2 s ASN 31 Cb 0.22 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 37.48 2bv2 s ASN 31 CO 0.02 -0.35 0.87 0.47 -3.72 0.00 0.00 177.10 174.39 2bv2 n ASP 32 N 3.79 -5.55 0.00 -4.21 8.00 -0.71 -4.86 116.55 113.01 2bv2 n ASP 32 Ca 0.07 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.06 2bv2 n ASP 32 Cb 0.48 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 2bv2 n ASP 32 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2bv2 n ILE 33 N -4.64 0.00 -2.33 0.53 -5.35 -1.26 -4.47 119.36 101.85 2bv2 n ILE 33 Ca -0.02 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 61.78 2bv2 n ILE 33 Cb 0.57 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 2bv2 n ILE 33 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2bv2 s VAL 34 N -0.49 3.69 0.00 7.28 1.01 -1.26 -4.50 120.40 126.13 2bv2 s VAL 34 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2bv2 s VAL 34 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2bv2 s VAL 34 CO 0.00 0.12 0.00 -1.20 0.00 0.00 0.00 175.10 174.02 2bv2 n SER 35 N 3.63 1.21 -3.89 3.32 7.64 -0.29 -2.14 113.62 123.10 2bv2 n SER 35 Ca 0.09 -0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.67 2bv2 n SER 35 Cb 0.45 0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 64.23 2bv2 n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bv2 s SER 36 N -0.89 -0.05 -0.10 6.43 1.04 -1.13 -3.29 113.70 115.71 2bv2 s SER 36 Ca 0.00 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.60 2bv2 s SER 36 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2bv2 s SER 36 CO 0.00 -0.94 0.27 -0.63 0.98 0.00 0.00 173.24 172.92 2bv2 s ILE 37 N -3.93 0.00 -0.16 -1.02 1.01 -0.09 -0.89 121.20 116.11 2bv2 s ILE 37 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2bv2 s ILE 37 Cb 0.02 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.13 2bv2 s ILE 37 CO -0.01 -0.00 -0.21 -0.63 0.00 0.00 0.00 174.94 174.08 2bv2 s ILE 38 N 0.12 2.06 -0.38 2.92 1.01 -0.21 -0.31 121.20 126.41 2bv2 s ILE 38 Ca -0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 2bv2 s ILE 38 Cb -0.02 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2bv2 s ILE 38 CO 0.00 0.54 0.40 -0.69 0.00 0.00 0.00 174.94 175.20 2bv2 s VAL 39 N 1.05 5.13 -0.01 2.92 1.01 0.18 -0.35 120.40 130.34 2bv2 s VAL 39 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2bv2 s VAL 39 Cb -0.14 -3.93 -0.29 0.00 0.00 0.00 0.00 36.38 32.02 2bv2 s VAL 39 CO -0.08 -0.25 1.00 -0.33 0.00 0.00 0.00 175.10 175.44 2bv2 h GLU 40 N 8.59 0.41 -3.30 2.72 4.39 -1.44 -0.16 114.58 125.79 2bv2 h GLU 40 Ca -0.28 -0.59 -0.06 0.00 0.34 0.00 0.00 59.36 58.77 2bv2 h GLU 40 Cb 1.13 0.20 -0.14 0.00 -0.10 0.00 0.00 28.75 29.84 2bv2 h GLU 40 CO 0.74 1.25 -0.10 -1.54 -1.16 0.00 0.00 179.01 178.20 2bv2 s SER 41 N -7.05 -0.23 0.00 1.42 1.04 -1.03 -4.81 113.70 103.04 2bv2 s SER 41 Ca -0.12 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2bv2 s SER 41 Cb 0.03 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2bv2 s SER 41 CO 0.86 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2bv2 n GLY 42 N 0.02 -1.22 3.77 7.32 0.00 -1.26 -1.25 105.19 112.57 2bv2 n GLY 42 Ca -0.17 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 2bv2 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bv2 s THR 43 N -2.58 5.07 0.02 2.61 2.01 -1.26 -3.66 115.64 117.84 2bv2 s THR 43 Ca 0.00 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2bv2 s THR 43 Cb 0.00 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2bv2 s THR 43 CO 0.00 0.56 -0.15 0.26 -0.69 0.00 0.00 174.62 174.60 2bv2 s TRP 44 N -0.54 1.30 -0.15 4.92 0.52 0.27 -0.44 118.94 124.83 2bv2 s TRP 44 Ca 0.11 -0.30 -0.04 0.00 0.02 0.00 0.00 56.10 55.89 2bv2 s TRP 44 Cb -0.12 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 2bv2 s TRP 44 CO 0.02 0.01 -0.01 -0.06 0.02 0.00 0.00 176.95 176.93 2bv2 s PHE 45 N -0.60 3.09 0.01 -1.98 0.08 0.30 -0.56 117.98 118.32 2bv2 s PHE 45 Ca 0.04 -0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.00 2bv2 s PHE 45 Cb -0.07 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2bv2 s PHE 45 CO 0.00 0.08 -0.18 0.14 -0.10 0.00 0.00 175.22 175.16 2bv2 s VAL 46 N 0.19 2.78 0.02 -0.44 -7.23 -0.12 -0.62 120.40 114.98 2bv2 s VAL 46 Ca -0.00 -1.07 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2bv2 s VAL 46 Cb -0.13 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2bv2 s VAL 46 CO 0.02 0.42 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.71 2bv2 s PHE 47 N -0.85 1.42 -0.75 2.82 0.08 -0.20 -1.00 117.98 119.50 2bv2 s PHE 47 Ca 0.13 -0.32 0.26 0.00 0.12 0.00 0.00 56.93 57.13 2bv2 s PHE 47 Cb -0.10 -0.87 0.84 0.00 -0.57 0.00 0.00 43.02 42.32 2bv2 s PHE 47 CO 0.04 0.02 1.79 -0.25 -0.10 0.00 0.00 175.22 176.72 2bv2 n ASP 48 N 2.22 0.75 -4.79 1.36 8.00 0.13 -0.62 116.55 123.59 2bv2 n ASP 48 Ca -0.16 0.57 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 2bv2 n ASP 48 Cb 0.54 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 2bv2 n ASP 48 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2bv2 s ASP 49 N -4.42 5.09 0.77 -2.24 1.01 -0.66 -4.20 116.67 112.03 2bv2 s ASP 49 Ca 0.11 -0.54 -0.11 0.00 0.71 0.00 0.00 52.55 52.73 2bv2 s ASP 49 Cb 0.13 -0.98 0.05 0.00 1.01 0.00 0.00 42.92 43.13 2bv2 s ASP 49 CO 0.59 -0.24 1.09 -1.61 0.21 0.00 0.00 175.17 175.21 2bv2 s GLU 50 N -3.89 2.28 -0.70 8.23 2.02 -1.26 -3.54 118.70 121.85 2bv2 s GLU 50 Ca 0.37 1.12 -0.01 0.00 0.02 0.00 0.00 54.97 56.47 2bv2 s GLU 50 Cb -0.05 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2bv2 s GLU 50 CO 0.24 -1.61 0.10 0.41 0.02 0.00 0.00 175.26 174.42 2bv2 n GLY 51 N -1.31 0.08 3.56 -1.39 0.00 0.12 -3.59 105.19 102.64 2bv2 n GLY 51 Ca 0.09 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2bv2 n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bv2 n PHE 52 N -3.91 -2.07 -4.04 1.61 0.99 -1.26 -4.98 117.46 103.80 2bv2 n PHE 52 Ca -0.08 0.85 -0.13 0.00 -0.00 0.00 0.00 57.45 58.09 2bv2 n PHE 52 Cb 0.57 -4.53 -0.04 0.00 -1.00 0.00 0.00 39.48 34.48 2bv2 n PHE 52 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2bv2 s SER 53 N -4.19 0.53 0.15 4.37 1.04 -1.24 -5.08 113.70 109.28 2bv2 s SER 53 Ca 0.09 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2bv2 s SER 53 Cb -0.02 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2bv2 s SER 53 CO 0.78 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2bv2 n GLY 54 N -0.50 -2.09 3.53 7.32 0.00 -1.26 -1.65 105.19 110.54 2bv2 n GLY 54 Ca -0.01 -1.39 -0.54 0.00 0.00 0.00 0.00 46.02 44.08 2bv2 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bv2 n PRO 55 N -1.99 0.55 -4.32 1.61 -0.02 -1.26 -4.56 135.00 125.01 2bv2 n PRO 55 Ca 0.00 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.45 2bv2 n PRO 55 Cb 0.21 -1.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2bv2 n PRO 55 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2bv2 s SER 56 N 0.08 2.67 -0.07 2.55 1.04 -1.26 -0.70 113.70 118.01 2bv2 s SER 56 Ca 0.84 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2bv2 s SER 56 Cb -1.08 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 64.93 2bv2 s SER 56 CO 0.53 0.01 0.17 -0.31 0.98 0.00 0.00 173.24 174.61 2bv2 s TYR 57 N -1.72 -0.20 -0.10 5.02 2.02 -0.17 -4.97 117.35 117.23 2bv2 s TYR 57 Ca 0.13 0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 57.22 2bv2 s TYR 57 Cb -0.07 -0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.37 2bv2 s TYR 57 CO 0.06 -0.19 0.40 0.21 -1.57 0.00 0.00 175.55 174.46 2bv2 s LYS 58 N 1.27 4.19 -0.05 -0.62 2.20 -1.26 -0.94 119.74 124.53 2bv2 s LYS 58 Ca -0.08 0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 2bv2 s LYS 58 Cb -0.11 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2bv2 s LYS 58 CO -0.06 0.33 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.68 2bv2 s LEU 59 N 0.12 1.37 0.39 5.43 1.02 0.28 -5.01 118.68 122.28 2bv2 s LEU 59 Ca 0.22 -0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.27 2bv2 s LEU 59 Cb -0.15 -0.56 -0.05 0.00 0.02 0.00 0.00 46.19 45.46 2bv2 s LEU 59 CO 0.09 -0.04 0.19 0.42 0.02 0.00 0.00 176.35 177.03 2bv2 s THR 60 N 0.93 2.55 0.13 5.49 -4.23 -1.26 -0.56 115.64 118.69 2bv2 s THR 60 Ca -0.11 -1.65 -0.34 0.00 -1.18 0.00 0.00 61.69 58.41 2bv2 s THR 60 Cb -0.15 -2.99 -0.16 0.00 1.34 0.00 0.00 72.50 70.55 2bv2 s THR 60 CO 0.00 -0.05 1.20 -2.65 -0.54 0.00 0.00 174.62 172.58 2bv2 n PRO 61 N -1.25 1.05 0.00 3.99 -0.02 -1.24 -4.69 135.00 132.84 2bv2 n PRO 61 Ca -0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2bv2 n PRO 61 Cb 0.63 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2bv2 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bv2 n GLY 62 N 2.15 0.66 3.68 -1.23 0.00 -0.07 -4.96 105.19 105.42 2bv2 n GLY 62 Ca 0.17 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 2bv2 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bv2 s LYS 63 N -1.23 2.96 -0.44 1.61 1.02 -1.26 -0.64 119.74 121.76 2bv2 s LYS 63 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2bv2 s LYS 63 Cb 0.00 -2.78 0.13 0.00 -0.52 0.00 0.00 37.83 34.66 2bv2 s LYS 63 CO 0.00 0.69 0.23 0.71 -0.92 0.00 0.00 175.35 176.07 2bv2 s TYR 64 N -0.91 2.02 -0.72 3.18 1.51 0.58 -5.01 117.35 117.99 2bv2 s TYR 64 Ca 0.14 -2.43 0.23 0.00 -1.01 0.00 0.00 57.07 54.00 2bv2 s TYR 64 Cb -0.11 -1.92 0.89 0.00 -0.11 0.00 0.00 41.96 40.71 2bv2 s TYR 64 CO 0.03 -0.79 1.70 -0.35 -1.11 0.00 0.00 175.55 175.04 2bv2 n PRO 65 N 3.58 0.14 -3.79 -1.71 -0.04 -1.26 -0.91 135.00 131.00 2bv2 n PRO 65 Ca 0.08 0.28 -0.09 0.00 -0.04 0.00 0.00 63.50 63.73 2bv2 n PRO 65 Cb 0.35 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 2bv2 n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bv2 s ASN 66 N -3.87 -0.20 0.42 3.54 2.20 -1.25 -0.46 114.94 115.32 2bv2 s ASN 66 Ca 0.07 -0.58 0.10 0.00 -0.94 0.00 0.00 52.86 51.52 2bv2 s ASN 66 Cb 0.11 0.56 0.91 0.00 -2.00 0.00 0.00 41.25 40.83 2bv2 s ASN 66 CO 0.43 -1.04 2.01 -0.65 -2.94 0.00 0.00 177.10 174.91 2bv2 h PRO 67 N 2.25 0.29 -0.53 3.55 0.11 -1.85 -1.39 132.00 134.42 2bv2 h PRO 67 Ca -0.29 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.93 2bv2 h PRO 67 Cb 1.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2bv2 h PRO 67 CO 0.39 0.29 0.37 0.78 -0.21 0.00 0.00 178.00 179.62 2bv2 h GLY 68 N 0.52 0.08 2.00 -0.55 0.00 -1.93 -0.41 103.07 102.78 2bv2 h GLY 68 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2bv2 h GLY 68 CO -0.00 0.01 -0.08 1.48 0.00 0.00 0.00 176.54 177.95 2bv2 h SER 69 N 0.05 0.00 -0.31 0.19 4.64 -1.61 -1.72 113.55 114.79 2bv2 h SER 69 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2bv2 h SER 69 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2bv2 h SER 69 CO -0.02 0.08 0.00 -2.67 -0.87 0.00 0.00 176.83 173.36 2bv2 n TRP 70 N -3.27 0.40 -0.94 4.77 2.14 -0.30 -4.98 117.44 115.26 2bv2 n TRP 70 Ca -0.00 -0.28 0.00 0.00 2.07 0.00 0.00 57.50 59.29 2bv2 n TRP 70 Cb 0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 2bv2 n TRP 70 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2bv2 n GLY 71 N 1.02 0.43 0.00 -1.67 0.00 -0.65 -4.81 105.19 99.51 2bv2 n GLY 71 Ca 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2bv2 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bv2 n GLY 72 N -2.94 3.76 3.59 -0.02 0.00 -0.38 -4.95 105.19 104.25 2bv2 n GLY 72 Ca 0.00 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 2bv2 n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bv2 s ASN 73 N -0.77 4.53 0.35 1.61 0.01 -1.26 -3.95 114.94 115.46 2bv2 s ASN 73 Ca 0.00 -0.29 -0.27 0.00 -0.71 0.00 0.00 52.86 51.59 2bv2 s ASN 73 Cb 0.00 -0.95 -0.09 0.00 0.41 0.00 0.00 41.25 40.62 2bv2 s ASN 73 CO 0.00 0.21 1.17 -0.62 -1.51 0.00 0.00 177.10 176.35 2bv2 s ASP 74 N -1.99 6.81 -1.27 -1.22 2.15 -1.26 -3.91 116.67 115.99 2bv2 s ASP 74 Ca 0.21 2.38 -0.04 0.00 0.43 0.00 0.00 52.55 55.53 2bv2 s ASP 74 Cb -0.11 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 2bv2 s ASP 74 CO 0.13 -0.47 1.07 0.47 -0.17 0.00 0.00 175.17 176.19 2bv2 n ASP 75 N 0.56 -3.80 0.00 -0.34 9.92 -0.91 -4.89 116.55 117.08 2bv2 n ASP 75 Ca 0.02 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 2bv2 n ASP 75 Cb 0.45 -5.05 0.00 0.00 -0.64 0.00 0.00 41.12 35.88 2bv2 n ASP 75 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2bv2 n GLU 76 N -4.50 1.93 -2.07 -1.24 4.07 -1.25 -4.42 120.64 113.16 2bv2 n GLU 76 Ca -0.17 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.52 2bv2 n GLU 76 Cb 0.62 -0.18 -0.02 0.00 -0.06 0.00 0.00 31.44 31.80 2bv2 n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2bv2 s LEU 77 N -0.41 4.40 0.00 4.31 1.43 -1.26 -4.29 118.68 122.86 2bv2 s LEU 77 Ca 0.00 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 2bv2 s LEU 77 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2bv2 s LEU 77 CO 0.00 -0.65 0.00 -1.20 0.23 0.00 0.00 176.35 174.73 2bv2 n SER 78 N 2.27 2.83 -3.66 2.29 7.64 0.21 -1.74 113.62 123.45 2bv2 n SER 78 Ca 0.06 -0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 2bv2 n SER 78 Cb 0.41 0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 64.20 2bv2 n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bv2 s SER 79 N -1.22 -0.27 -0.02 6.43 1.04 -1.07 -0.19 113.70 118.41 2bv2 s SER 79 Ca 0.00 -0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 2bv2 s SER 79 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2bv2 s SER 79 CO 0.00 -0.72 0.05 0.68 0.98 0.00 0.00 173.24 174.23 2bv2 s VAL 80 N -2.89 -0.01 -0.02 5.02 -7.23 -0.48 -1.03 120.40 113.76 2bv2 s VAL 80 Ca -0.03 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2bv2 s VAL 80 Cb 0.00 -0.08 0.01 0.00 0.56 0.00 0.00 36.38 36.87 2bv2 s VAL 80 CO -0.05 0.01 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.96 2bv2 s LYS 81 N 0.17 0.51 0.23 4.82 2.20 0.20 -0.62 119.74 127.25 2bv2 s LYS 81 Ca -0.01 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 2bv2 s LYS 81 Cb -0.02 -0.54 -0.09 0.00 -1.51 0.00 0.00 37.83 35.67 2bv2 s LYS 81 CO -0.00 0.00 1.00 -1.14 -0.36 0.00 0.00 175.35 174.85 2bv2 s GLN 82 N 0.42 4.76 0.00 4.03 0.74 -1.26 -0.54 119.66 127.80 2bv2 s GLN 82 Ca -0.05 1.59 0.28 0.00 0.05 0.00 0.00 55.36 57.23 2bv2 s GLN 82 Cb -0.08 -3.27 1.08 0.00 1.10 0.00 0.00 33.01 31.83 2bv2 s GLN 82 CO -0.00 0.36 1.76 0.94 -0.55 0.00 0.00 175.29 177.79