#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7t n GLY 2 N 0.00 -1.04 3.59 -1.23 0.00 -1.26 -4.80 105.19 100.45 2b7t n GLY 2 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2b7t n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2b7t n PRO 3 N 0.00 -1.16 -1.97 1.61 -0.02 -1.26 -5.10 135.00 127.11 2b7t n PRO 3 Ca 0.00 -0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 60.77 2b7t n PRO 3 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 2b7t n PRO 3 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2b7t s VAL 4 N -2.55 3.03 0.03 -1.45 -7.23 -1.26 -4.99 120.40 105.98 2b7t s VAL 4 Ca 0.67 0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 61.09 2b7t s VAL 4 Cb -0.24 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.27 2b7t s VAL 4 CO 0.61 0.01 1.63 -1.48 -0.31 0.00 0.00 175.10 175.56 2b7t s LEU 5 N 2.23 4.35 0.46 1.32 2.34 -1.26 -4.92 118.68 123.20 2b7t s LEU 5 Ca 0.72 2.38 0.24 0.00 0.06 0.00 0.00 54.13 57.53 2b7t s LEU 5 Cb -0.40 -3.55 1.26 0.00 -0.56 0.00 0.00 46.19 42.94 2b7t s LEU 5 CO 0.31 -0.88 1.81 -0.65 -1.06 0.00 0.00 176.35 175.89 2b7t h PRO 6 N 8.60 0.24 -0.94 1.48 0.11 -1.94 -2.46 132.00 137.10 2b7t h PRO 6 Ca -0.41 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 65.95 2b7t h PRO 6 Cb 1.19 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 2b7t h PRO 6 CO 0.93 0.16 0.41 -0.22 -0.21 0.00 0.00 178.00 179.07 2b7t h LYS 7 N 0.24 0.30 0.23 1.05 3.11 -1.97 -1.47 116.57 118.07 2b7t h LYS 7 Ca 0.54 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.35 2b7t h LYS 7 Cb 1.64 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.80 2b7t h LYS 7 CO -0.16 0.20 -0.11 -0.97 -2.81 0.00 0.00 179.45 175.60 2b7t h ASN 8 N 0.31 -0.26 -0.05 4.20 -1.24 -1.84 0.14 115.58 116.84 2b7t h ASN 8 Ca 0.63 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.44 2b7t h ASN 8 Cb 1.33 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.42 2b7t h ASN 8 CO -0.61 0.10 -0.07 0.00 -1.29 0.00 0.00 177.43 175.56 2b7t h ALA 9 N -0.01 -0.02 -0.01 1.57 0.00 -1.73 -1.90 119.26 117.16 2b7t h ALA 9 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b7t h ALA 9 Cb 0.46 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2b7t h ALA 9 CO 0.05 -0.54 0.01 -0.07 0.00 0.00 0.00 179.25 178.70 2b7t h LEU 10 N -0.09 0.01 -0.93 0.00 -0.00 -1.16 -1.05 115.31 112.08 2b7t h LEU 10 Ca 0.04 -0.05 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2b7t h LEU 10 Cb 0.16 -0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.74 2b7t h LEU 10 CO -0.11 0.06 0.57 0.00 -0.00 0.00 0.00 178.44 178.97 2b7t h MET 11 N -0.04 0.94 0.10 1.13 -0.00 -0.78 0.71 114.93 117.00 2b7t h MET 11 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2b7t h MET 11 Cb 0.05 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 31.42 2b7t h MET 11 CO -0.00 0.62 -0.25 0.37 -0.00 0.00 0.00 176.91 177.65 2b7t h GLN 12 N 0.97 -0.37 -0.01 -0.10 4.15 -0.37 -0.53 115.11 118.85 2b7t h GLN 12 Ca 0.43 0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.66 2b7t h GLN 12 Cb 0.32 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2b7t h GLN 12 CO -0.22 -0.25 -0.92 1.37 -1.93 0.00 0.00 178.83 176.88 2b7t h LEU 13 N -0.39 0.54 -1.68 -2.39 -0.00 -1.28 -1.98 115.31 108.12 2b7t h LEU 13 Ca -0.01 -0.42 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2b7t h LEU 13 Cb 0.38 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2b7t h LEU 13 CO -0.11 1.22 0.17 0.78 -0.00 0.00 0.00 178.44 180.49 2b7t h ASN 14 N 0.25 0.33 0.69 0.17 2.35 -0.92 0.21 115.58 118.66 2b7t h ASN 14 Ca -0.07 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2b7t h ASN 14 Cb 1.54 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.84 2b7t h ASN 14 CO 0.16 0.26 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.53 2b7t h GLU 15 N 0.38 -0.90 -0.98 0.81 5.08 -0.92 -2.73 114.58 115.32 2b7t h GLU 15 Ca 0.10 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2b7t h GLU 15 Cb -0.01 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2b7t h GLU 15 CO -0.02 -0.58 0.64 0.82 -1.00 0.00 0.00 179.01 178.88 2b7t h ILE 16 N -1.18 1.20 -2.46 3.13 2.04 -1.11 -3.37 117.51 115.76 2b7t h ILE 16 Ca -0.10 -0.44 -0.59 0.00 1.00 0.00 0.00 64.86 64.74 2b7t h ILE 16 Cb 0.74 -0.18 -0.38 0.00 -0.74 0.00 0.00 36.82 36.25 2b7t h ILE 16 CO 0.16 0.23 -0.92 -0.54 0.00 0.00 0.00 178.15 177.08 2b7t s LYS 17 N -6.10 0.75 -1.08 2.37 -0.14 0.71 -5.06 119.74 111.18 2b7t s LYS 17 Ca -0.13 -1.78 -0.07 0.00 -1.36 0.00 0.00 55.97 52.63 2b7t s LYS 17 Cb 0.18 -1.37 -0.09 0.00 -1.68 0.00 0.00 37.83 34.87 2b7t s LYS 17 CO 0.81 -1.31 2.58 -0.35 -0.76 0.00 0.00 175.35 176.32 2b7t n PRO 18 N 3.36 2.69 -2.67 -1.68 -0.04 -1.03 -4.02 135.00 131.60 2b7t n PRO 18 Ca 0.22 -1.67 -0.04 0.00 -0.04 0.00 0.00 63.50 61.97 2b7t n PRO 18 Cb 0.43 -2.52 0.04 0.00 -0.04 0.00 0.00 33.50 31.41 2b7t n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b7t n GLY 19 N 3.52 -0.57 3.91 0.55 0.00 -1.26 -5.10 105.19 106.24 2b7t n GLY 19 Ca 0.57 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 2b7t n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b7t s LEU 20 N -2.09 4.31 -0.23 0.99 1.02 -1.26 -4.78 118.68 116.64 2b7t s LEU 20 Ca 0.11 0.22 -0.01 0.00 0.02 0.00 0.00 54.13 54.46 2b7t s LEU 20 Cb 0.17 -2.90 0.07 0.00 0.02 0.00 0.00 46.19 43.54 2b7t s LEU 20 CO -0.07 0.14 0.01 -1.10 0.02 0.00 0.00 176.35 175.35 2b7t s GLN 21 N -2.71 1.01 -0.13 1.70 1.11 -0.68 -4.94 119.66 115.01 2b7t s GLN 21 Ca 0.34 -0.74 -0.05 0.00 0.01 0.00 0.00 55.36 54.92 2b7t s GLN 21 Cb -0.12 -2.28 -0.04 0.00 -1.01 0.00 0.00 33.01 29.56 2b7t s GLN 21 CO 0.28 -0.69 0.05 0.71 0.01 0.00 0.00 175.29 175.65 2b7t s TYR 22 N 1.64 3.29 -0.02 0.91 1.51 -1.26 -0.60 117.35 122.82 2b7t s TYR 22 Ca -0.01 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2b7t s TYR 22 Cb -0.18 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2b7t s TYR 22 CO -0.10 0.38 -0.05 1.41 -1.11 0.00 0.00 175.55 176.08 2b7t s MET 23 N -0.37 0.60 -0.29 -0.62 1.75 -0.10 -4.98 119.30 115.29 2b7t s MET 23 Ca 0.09 -0.16 -0.09 0.00 -1.25 0.00 0.00 55.69 54.28 2b7t s MET 23 Cb -0.12 -0.61 -0.02 0.00 2.84 0.00 0.00 34.83 36.92 2b7t s MET 23 CO 0.02 0.04 0.14 -1.17 -0.65 0.00 0.00 175.02 173.40 2b7t s LEU 24 N 0.32 3.97 0.06 4.11 1.98 -1.26 -0.89 118.68 126.97 2b7t s LEU 24 Ca -0.04 -0.39 0.09 0.00 -2.89 0.00 0.00 54.13 50.90 2b7t s LEU 24 Cb -0.08 -2.00 -0.03 0.00 0.66 0.00 0.00 46.19 44.74 2b7t s LEU 24 CO -0.00 -0.15 -0.24 -0.76 -1.89 0.00 0.00 176.35 173.32 2b7t s LEU 25 N 1.63 2.34 0.20 -0.68 1.43 0.45 -4.92 118.68 119.13 2b7t s LEU 25 Ca 0.05 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2b7t s LEU 25 Cb -0.17 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 2b7t s LEU 25 CO 0.06 0.24 1.21 -0.94 0.23 0.00 0.00 176.35 177.16 2b7t s SER 26 N -1.44 7.06 0.05 2.29 1.04 -1.26 -1.88 113.70 119.56 2b7t s SER 26 Ca 0.13 2.28 -0.37 0.00 0.48 0.00 0.00 55.95 58.47 2b7t s SER 26 Cb -0.10 -2.61 -0.19 0.00 0.10 0.00 0.00 66.02 63.22 2b7t s SER 26 CO 0.04 -0.38 1.01 1.67 0.98 0.00 0.00 173.24 176.56 2b7t n GLN 27 N 2.32 0.16 -1.78 4.02 -0.06 -1.26 -4.60 117.38 116.19 2b7t n GLN 27 Ca 0.04 0.06 -0.01 0.00 -2.00 0.00 0.00 57.00 55.08 2b7t n GLN 27 Cb 0.44 -1.49 -0.00 0.00 -4.06 0.00 0.00 30.24 25.13 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2b7t n THR 28 N 1.36 0.00 0.00 1.69 5.66 -0.20 -5.01 114.28 117.78 2b7t n THR 28 Ca 0.19 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2b7t n THR 28 Cb 0.12 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2b7t n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b7t n GLY 29 N -0.04 -2.88 3.97 1.09 0.00 -1.26 -0.70 105.19 105.36 2b7t n GLY 29 Ca 0.00 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 2b7t n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b7t s PRO 30 N -0.93 2.44 0.00 1.61 0.04 -1.26 -4.85 135.00 132.05 2b7t s PRO 30 Ca 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.32 2b7t s PRO 30 Cb 0.00 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2b7t s PRO 30 CO 0.00 -0.84 0.33 0.28 0.04 0.00 0.00 177.00 176.81 2b7t n VAL 31 N -2.46 0.00 -0.67 -0.36 0.31 -1.26 -2.22 118.33 111.67 2b7t n VAL 31 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2b7t n VAL 31 Cb 0.60 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 2b7t n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b7t n HIS 32 N 0.05 0.00 -2.74 3.52 1.44 -1.26 -4.97 115.22 111.26 2b7t n HIS 32 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 2b7t n HIS 32 Cb 0.10 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.29 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b7t n ALA 33 N 0.00 1.45 -1.64 1.59 0.00 -0.94 -5.13 120.51 115.84 2b7t n ALA 33 Ca 0.00 -1.98 -0.60 0.00 0.00 0.00 0.00 53.44 50.87 2b7t n ALA 33 Cb 0.15 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2b7t n ALA 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b7t n PRO 34 N -0.20 0.74 -4.06 0.00 -0.02 -1.18 -4.27 135.00 126.00 2b7t n PRO 34 Ca 0.04 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2b7t n PRO 34 Cb 0.79 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 2b7t n PRO 34 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b7t s LEU 35 N 4.11 3.55 0.02 2.45 1.98 0.12 -3.94 118.68 126.98 2b7t s LEU 35 Ca 1.04 -0.05 0.09 0.00 -2.89 0.00 0.00 54.13 52.31 2b7t s LEU 35 Cb -1.20 -1.90 -0.03 0.00 0.66 0.00 0.00 46.19 43.73 2b7t s LEU 35 CO 0.68 0.12 -0.26 -0.36 -1.89 0.00 0.00 176.35 174.64 2b7t s PHE 36 N 0.68 2.32 -0.07 5.38 0.40 -0.61 -1.03 117.98 125.05 2b7t s PHE 36 Ca 0.02 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2b7t s PHE 36 Cb -0.14 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 2b7t s PHE 36 CO 0.02 0.07 -0.19 0.14 0.70 0.00 0.00 175.22 175.96 2b7t s VAL 37 N -0.74 2.55 -0.10 -0.44 -7.23 -0.79 -1.27 120.40 112.39 2b7t s VAL 37 Ca 0.11 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2b7t s VAL 37 Cb -0.10 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 2b7t s VAL 37 CO 0.01 0.57 -0.09 -0.04 -0.31 0.00 0.00 175.10 175.24 2b7t s MET 38 N -0.22 3.04 -0.30 4.82 -1.94 -0.33 -0.41 119.30 123.96 2b7t s MET 38 Ca -0.01 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.26 2b7t s MET 38 Cb -0.13 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 2b7t s MET 38 CO 0.03 0.47 0.21 -1.54 -0.01 0.00 0.00 175.02 174.18 2b7t s SER 39 N -0.30 6.02 -0.13 3.03 1.04 -0.07 -1.16 113.70 122.12 2b7t s SER 39 Ca 0.04 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 2b7t s SER 39 Cb -0.13 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2b7t s SER 39 CO 0.03 -0.11 -0.04 0.54 0.98 0.00 0.00 173.24 174.63 2b7t s VAL 40 N 1.74 3.88 -0.20 5.02 0.11 0.01 -0.92 120.40 130.04 2b7t s VAL 40 Ca 0.07 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2b7t s VAL 40 Cb -0.16 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2b7t s VAL 40 CO 0.11 0.52 0.06 -0.70 -3.33 0.00 0.00 175.10 171.76 2b7t s GLU 41 N 0.05 3.85 0.00 1.54 -6.30 0.23 -0.44 118.70 117.63 2b7t s GLU 41 Ca -0.00 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 52.07 2b7t s GLU 41 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.75 2b7t s GLU 41 CO 0.03 0.11 0.00 1.55 0.02 0.00 0.00 175.26 176.96 2b7t n VAL 42 N 4.04 0.00 -0.49 3.70 3.14 -0.84 -1.69 118.33 126.18 2b7t n VAL 42 Ca -0.16 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 2b7t n VAL 42 Cb 0.52 0.97 0.00 0.00 -1.06 0.00 0.00 33.84 34.27 2b7t n VAL 42 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2b7t n ASN 43 N -0.96 0.00 0.00 6.55 5.15 -1.26 -4.93 115.26 119.80 2b7t n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2b7t n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2b7t n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b7t n GLY 44 N 0.00 -0.14 2.95 8.20 0.00 -1.26 -5.14 105.19 109.80 2b7t n GLY 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2b7t n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b7t s GLN 45 N 0.00 0.16 -0.08 1.61 0.00 -1.26 -5.16 119.66 114.93 2b7t s GLN 45 Ca 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 55.36 55.15 2b7t s GLN 45 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 33.01 33.04 2b7t s GLN 45 CO 0.00 -0.03 0.05 0.14 0.00 0.00 0.00 175.29 175.45 2b7t s VAL 46 N -0.54 4.71 -0.13 3.63 -7.23 -1.26 -1.98 120.40 117.59 2b7t s VAL 46 Ca -0.06 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2b7t s VAL 46 Cb -0.04 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.89 2b7t s VAL 46 CO -0.00 0.57 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.84 2b7t s PHE 47 N -0.97 2.16 -0.18 2.82 0.40 0.41 -4.89 117.98 117.73 2b7t s PHE 47 Ca 0.15 -1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 55.28 2b7t s PHE 47 Cb -0.12 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2b7t s PHE 47 CO 0.04 -0.60 0.05 -1.21 0.70 0.00 0.00 175.22 174.21 2b7t s GLU 48 N 1.22 3.93 -0.03 0.44 2.02 -1.26 -0.81 118.70 124.21 2b7t s GLU 48 Ca -0.01 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.65 2b7t s GLU 48 Cb -0.14 -3.19 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 2b7t s GLU 48 CO -0.06 0.24 -0.12 0.20 0.02 0.00 0.00 175.26 175.54 2b7t s GLY 49 N 0.44 0.68 -0.18 -1.39 0.00 -0.31 -4.72 107.32 101.83 2b7t s GLY 49 Ca 0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 44.20 2b7t s GLY 49 CO 0.01 -0.21 0.05 -0.45 0.00 0.00 0.00 173.10 172.50 2b7t s SER 50 N 0.10 5.49 0.01 1.64 0.15 -1.26 -1.19 113.70 118.63 2b7t s SER 50 Ca -0.03 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2b7t s SER 50 Cb -0.09 -1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 2b7t s SER 50 CO 0.01 0.16 -0.06 -0.83 1.20 0.00 0.00 173.24 173.71 2b7t s GLY 51 N 0.48 0.34 0.00 9.45 0.00 -0.40 -4.64 107.32 112.55 2b7t s GLY 51 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.34 2b7t s GLY 51 CO 0.01 -0.40 0.33 -1.55 0.00 0.00 0.00 173.10 171.50 2b7t n PRO 52 N 2.45 0.37 -3.70 2.90 -0.04 -1.26 -1.57 135.00 134.15 2b7t n PRO 52 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2b7t n PRO 52 Cb 0.57 -1.03 -0.09 0.00 -0.04 0.00 0.00 33.50 32.91 2b7t n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b7t s THR 53 N -1.82 0.01 0.48 0.52 -1.32 -1.25 -4.51 115.64 107.74 2b7t s THR 53 Ca 0.00 -0.05 0.20 0.00 -1.21 0.00 0.00 61.69 60.63 2b7t s THR 53 Cb 0.00 -0.69 0.37 0.00 -1.51 0.00 0.00 72.50 70.67 2b7t s THR 53 CO 0.00 -0.03 1.97 0.07 -2.21 0.00 0.00 174.62 174.42 2b7t h LYS 54 N 5.08 0.21 0.00 7.08 2.10 -1.89 -0.51 116.57 128.65 2b7t h LYS 54 Ca -0.28 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.27 2b7t h LYS 54 Cb 1.17 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2b7t h LYS 54 CO 0.23 0.14 -0.45 0.87 -2.00 0.00 0.00 179.45 178.24 2b7t h LYS 55 N 0.22 0.00 0.16 0.07 1.57 -1.97 -1.17 116.57 115.44 2b7t h LYS 55 Ca 0.30 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.78 2b7t h LYS 55 Cb 0.87 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.19 2b7t h LYS 55 CO -0.06 0.45 -1.40 -0.22 -0.57 0.00 0.00 179.45 177.66 2b7t h LYS 56 N 0.00 0.33 0.32 3.15 3.64 -1.60 -2.95 116.57 119.46 2b7t h LYS 56 Ca -0.00 -0.57 -0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2b7t h LYS 56 Cb 0.84 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2b7t h LYS 56 CO 0.06 1.25 -0.29 0.00 -2.27 0.00 0.00 179.45 178.20 2b7t h ALA 57 N 0.44 -0.62 -0.80 5.00 0.00 -0.86 0.12 119.26 122.53 2b7t h ALA 57 Ca -0.20 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2b7t h ALA 57 Cb 2.04 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 20.17 2b7t h ALA 57 CO 0.21 -0.88 0.48 1.57 0.00 0.00 0.00 179.25 180.63 2b7t h LYS 58 N -0.63 0.85 -0.03 0.00 2.10 -1.38 -0.99 116.57 116.49 2b7t h LYS 58 Ca -0.02 -0.05 0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2b7t h LYS 58 Cb 0.56 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 2b7t h LYS 58 CO -0.04 0.56 -0.19 1.25 -2.00 0.00 0.00 179.45 179.02 2b7t h LEU 59 N 0.87 -0.58 -0.25 7.07 6.46 -1.30 -1.08 115.31 126.50 2b7t h LEU 59 Ca 0.35 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.25 2b7t h LEU 59 Cb 0.19 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 2b7t h LEU 59 CO -0.18 -0.26 -0.05 -0.74 -0.62 0.00 0.00 178.44 176.59 2b7t h HIS 60 N -0.30 -0.11 0.26 1.25 2.76 -0.42 0.21 115.15 118.81 2b7t h HIS 60 Ca 0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2b7t h HIS 60 Cb 0.39 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 2b7t h HIS 60 CO -0.26 -0.09 -0.42 0.00 -1.30 0.00 0.00 177.93 175.86 2b7t h ALA 61 N 1.25 -1.00 -0.12 5.26 0.00 -1.08 -1.94 119.26 121.62 2b7t h ALA 61 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2b7t h ALA 61 Cb 0.18 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2b7t h ALA 61 CO -0.25 -1.07 0.04 0.00 0.00 0.00 0.00 179.25 177.98 2b7t h ALA 62 N -0.91 0.13 0.04 0.00 0.00 -0.96 0.13 119.26 117.69 2b7t h ALA 62 Ca -0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2b7t h ALA 62 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2b7t h ALA 62 CO -0.14 -0.41 -0.31 1.49 0.00 0.00 0.00 179.25 179.88 2b7t h GLU 63 N 0.10 -0.40 -0.61 0.00 4.81 -0.59 -1.25 114.58 116.64 2b7t h GLU 63 Ca 0.05 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2b7t h GLU 63 Cb 0.03 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 2b7t h GLU 63 CO -0.05 -0.27 0.31 -0.22 -0.73 0.00 0.00 179.01 178.05 2b7t h LYS 64 N -0.41 0.55 0.09 1.92 3.64 -1.39 -2.22 116.57 118.76 2b7t h LYS 64 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2b7t h LYS 64 Cb 0.43 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 2b7t h LYS 64 CO -0.18 0.37 -0.46 0.00 -2.27 0.00 0.00 179.45 176.90 2b7t h ALA 65 N 1.34 -0.83 -0.14 5.00 0.00 0.08 0.41 119.26 125.12 2b7t h ALA 65 Ca 0.28 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2b7t h ALA 65 Cb 0.22 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2b7t h ALA 65 CO -0.20 -1.04 -0.55 1.25 0.00 0.00 0.00 179.25 178.72 2b7t h LEU 66 N -0.68 0.46 0.21 0.00 6.46 -1.29 0.29 115.31 120.76 2b7t h LEU 66 Ca 0.02 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2b7t h LEU 66 Cb 0.71 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2b7t h LEU 66 CO -0.28 0.92 -0.34 -0.09 -0.62 0.00 0.00 178.44 178.03 2b7t h ARG 67 N 0.32 -0.60 -0.46 1.25 1.12 -0.90 -1.51 114.38 113.59 2b7t h ARG 67 Ca 0.01 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 58.98 2b7t h ARG 67 Cb 1.06 0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 31.10 2b7t h ARG 67 CO 0.09 -0.40 0.16 0.77 -3.11 0.00 0.00 179.97 177.48 2b7t h SER 68 N -0.63 0.16 -0.43 -3.80 0.02 -0.19 0.38 113.55 109.07 2b7t h SER 68 Ca 0.01 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2b7t h SER 68 Cb 0.62 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2b7t h SER 68 CO -0.15 0.12 0.29 0.15 -1.14 0.00 0.00 176.83 176.11 2b7t h PHE 69 N 0.33 0.24 0.00 3.45 3.57 -0.82 -2.30 116.94 121.41 2b7t h PHE 69 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2b7t h PHE 69 Cb 0.23 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2b7t h PHE 69 CO -0.16 0.12 -1.01 0.28 -2.23 0.00 0.00 178.31 175.32 2b7t h VAL 70 N 0.23 0.08 0.00 1.41 2.07 -0.56 -3.49 116.25 115.99 2b7t h VAL 70 Ca 0.20 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2b7t h VAL 70 Cb 0.48 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2b7t h VAL 70 CO -0.04 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2b7t n GLN 71 N -2.73 0.00 0.14 1.57 1.13 0.06 -4.75 117.38 112.79 2b7t n GLN 71 Ca -0.01 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2b7t n GLN 71 Cb 0.59 -1.98 0.17 0.00 0.11 0.00 0.00 30.24 29.14 2b7t n GLN 71 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2b7t h PHE 72 N 0.00 0.00 0.00 1.08 0.04 -1.90 -3.48 116.94 112.68 2b7t h PHE 72 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2b7t h PHE 72 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2b7t h PHE 72 CO 0.00 0.60 0.00 -2.30 -0.60 0.00 0.00 178.31 176.01