#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 -1.52 1.02 0.55 0.00 -1.26 -4.80 105.19 99.18 2b7t n GLY 2 Ca 0.00 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.70 2b7t n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7t n PRO 3 N -2.00 2.34 -0.03 1.61 -0.04 -1.26 -4.82 135.00 130.80 2b7t n PRO 3 Ca 0.00 -2.05 0.01 0.00 -0.04 0.00 0.00 63.50 61.42 2b7t n PRO 3 Cb 0.18 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2b7t n PRO 3 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2b7t n VAL 4 N 1.38 0.75 -4.04 0.52 0.24 -1.26 -5.12 118.33 110.79 2b7t n VAL 4 Ca 0.16 -0.87 -0.25 0.00 -2.04 0.00 0.00 64.34 61.34 2b7t n VAL 4 Cb 0.59 0.64 -0.04 0.00 -1.47 0.00 0.00 33.84 33.56 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2b7t s LEU 5 N -0.81 4.01 0.15 1.34 1.43 -1.26 -5.04 118.68 118.50 2b7t s LEU 5 Ca 0.05 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2b7t s LEU 5 Cb 0.03 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2b7t s LEU 5 CO 0.04 0.03 1.56 1.55 0.23 0.00 0.00 176.35 179.75 2b7t h PRO 6 N 2.02 0.96 -0.06 1.29 0.13 -1.98 -3.39 132.00 130.97 2b7t h PRO 6 Ca -0.49 -0.39 0.02 0.00 -0.87 0.00 0.00 66.00 64.28 2b7t h PRO 6 Cb 1.21 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2b7t h PRO 6 CO 0.64 1.05 -0.34 -0.22 -0.23 0.00 0.00 178.00 178.90 2b7t h LYS 7 N 0.81 -0.38 -0.34 0.86 3.11 -1.97 0.22 116.57 118.88 2b7t h LYS 7 Ca 0.12 0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.90 2b7t h LYS 7 Cb 0.72 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 2b7t h LYS 7 CO 0.06 -0.25 -0.14 -2.95 -2.81 0.00 0.00 179.45 173.36 2b7t h ASN 8 N -0.39 0.59 0.84 4.20 -1.07 -2.00 -0.89 115.58 116.86 2b7t h ASN 8 Ca 0.02 -0.17 -0.04 0.00 0.07 0.00 0.00 56.30 56.18 2b7t h ASN 8 Cb 0.44 -0.16 0.01 0.00 -2.07 0.00 0.00 38.32 36.54 2b7t h ASN 8 CO -0.26 0.75 -0.41 0.00 0.07 0.00 0.00 177.43 177.59 2b7t h ALA 9 N 1.31 -1.13 -0.42 4.14 0.00 -1.70 -1.79 119.26 119.66 2b7t h ALA 9 Ca 0.10 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b7t h ALA 9 Cb 0.55 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2b7t h ALA 9 CO 0.04 -1.11 0.19 -0.07 0.00 0.00 0.00 179.25 178.29 2b7t h LEU 10 N -1.18 0.25 -0.33 0.00 -0.00 -0.63 0.74 115.31 114.16 2b7t h LEU 10 Ca -0.12 0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2b7t h LEU 10 Cb 0.87 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.48 2b7t h LEU 10 CO 0.19 0.18 0.08 0.00 -0.00 0.00 0.00 178.44 178.89 2b7t h MET 11 N 0.38 0.19 -0.05 1.13 -0.00 -1.29 -0.30 114.93 114.99 2b7t h MET 11 Ca 0.19 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.90 2b7t h MET 11 Cb 0.13 -0.04 -0.06 0.00 -0.00 0.00 0.00 31.60 31.62 2b7t h MET 11 CO -0.15 0.13 -0.51 0.37 -0.00 0.00 0.00 176.91 176.74 2b7t h GLN 12 N 0.20 -0.60 0.01 -0.10 4.15 0.01 0.37 115.11 119.15 2b7t h GLN 12 Ca 0.16 0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.43 2b7t h GLN 12 Cb 0.16 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2b7t h GLN 12 CO -0.19 -0.40 -0.88 1.37 -1.93 0.00 0.00 178.83 176.80 2b7t h LEU 13 N -0.62 0.10 -1.44 -2.39 -0.00 -1.20 -1.58 115.31 108.18 2b7t h LEU 13 Ca 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2b7t h LEU 13 Cb 0.70 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 2b7t h LEU 13 CO -0.38 0.93 0.31 0.78 -0.00 0.00 0.00 178.44 180.07 2b7t h ASN 14 N 0.04 0.60 0.41 0.17 2.35 -0.98 0.17 115.58 118.33 2b7t h ASN 14 Ca -0.02 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2b7t h ASN 14 Cb 1.53 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.76 2b7t h ASN 14 CO 0.12 0.47 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.84 2b7t h GLU 15 N 0.70 -0.53 -0.84 0.81 5.08 -0.67 -1.28 114.58 117.86 2b7t h GLU 15 Ca 0.18 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2b7t h GLU 15 Cb -0.03 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2b7t h GLU 15 CO -0.03 -0.32 0.53 0.82 -1.00 0.00 0.00 179.01 179.01 2b7t h ILE 16 N -0.60 1.10 -2.25 3.13 2.04 -1.02 -3.39 117.51 116.53 2b7t h ILE 16 Ca -0.06 -0.35 -0.49 0.00 1.00 0.00 0.00 64.86 64.96 2b7t h ILE 16 Cb 0.45 -0.00 -0.35 0.00 -0.74 0.00 0.00 36.82 36.18 2b7t h ILE 16 CO 0.09 0.19 -0.81 -0.54 0.00 0.00 0.00 178.15 177.08 2b7t s LYS 17 N -6.09 0.68 -1.06 2.37 -0.14 0.58 -5.06 119.74 111.01 2b7t s LYS 17 Ca -0.13 -1.33 -0.08 0.00 -1.36 0.00 0.00 55.97 53.08 2b7t s LYS 17 Cb 0.17 -1.07 -0.12 0.00 -1.68 0.00 0.00 37.83 35.13 2b7t s LYS 17 CO 0.79 -1.25 2.85 -0.35 -0.76 0.00 0.00 175.35 176.63 2b7t n PRO 18 N 3.80 2.86 -2.66 -1.68 -0.04 -0.48 -3.91 135.00 132.89 2b7t n PRO 18 Ca 0.16 -1.70 -0.03 0.00 -0.04 0.00 0.00 63.50 61.88 2b7t n PRO 18 Cb 0.43 -2.51 0.05 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.36 -1.08 3.87 0.55 0.00 -1.26 -5.10 105.19 105.53 2b7t n GLY 19 Ca 0.61 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.70 4.14 -0.27 0.99 1.02 -1.25 -4.71 118.68 116.90 2b7t s LEU 20 Ca 0.12 0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.41 2b7t s LEU 20 Cb 0.18 -2.76 0.08 0.00 0.02 0.00 0.00 46.19 43.71 2b7t s LEU 20 CO -0.11 0.15 0.04 -1.10 0.02 0.00 0.00 176.35 175.36 2b7t s GLN 21 N -2.57 1.02 -0.13 1.70 1.11 -0.28 -4.95 119.66 115.56 2b7t s GLN 21 Ca 0.33 -1.01 -0.05 0.00 0.01 0.00 0.00 55.36 54.64 2b7t s GLN 21 Cb -0.12 -2.31 -0.04 0.00 -1.01 0.00 0.00 33.01 29.53 2b7t s GLN 21 CO 0.26 -0.81 0.05 0.71 0.01 0.00 0.00 175.29 175.51 2b7t s TYR 22 N 1.53 3.28 -0.03 0.91 1.51 -1.26 -0.61 117.35 122.68 2b7t s TYR 22 Ca 0.04 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 2b7t s TYR 22 Cb -0.18 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2b7t s TYR 22 CO -0.15 0.38 -0.09 1.41 -1.11 0.00 0.00 175.55 176.00 2b7t s MET 23 N -0.39 0.92 -0.24 -0.62 1.75 -0.14 -5.00 119.30 115.58 2b7t s MET 23 Ca 0.09 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.16 2b7t s MET 23 Cb -0.12 -0.87 -0.04 0.00 2.84 0.00 0.00 34.83 36.65 2b7t s MET 23 CO 0.02 0.10 0.10 -1.17 -0.65 0.00 0.00 175.02 173.42 2b7t s LEU 24 N 0.22 3.68 0.14 4.11 1.98 -1.26 -1.12 118.68 126.42 2b7t s LEU 24 Ca -0.03 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.13 2b7t s LEU 24 Cb -0.09 -1.98 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 2b7t s LEU 24 CO 0.00 0.01 -0.03 -1.48 -1.89 0.00 0.00 176.35 172.96 2b7t s LEU 25 N 1.38 2.29 0.16 -0.68 2.34 0.08 -4.98 118.68 119.27 2b7t s LEU 25 Ca 0.06 -1.09 -0.30 0.00 0.06 0.00 0.00 54.13 52.85 2b7t s LEU 25 Cb -0.15 -0.07 -0.07 0.00 -0.56 0.00 0.00 46.19 45.35 2b7t s LEU 25 CO 0.05 -0.52 1.04 -0.94 -1.06 0.00 0.00 176.35 174.93 2b7t s SER 26 N -3.11 7.37 -0.01 1.48 1.04 -1.26 -1.81 113.70 117.39 2b7t s SER 26 Ca 0.18 1.98 -0.31 0.00 0.48 0.00 0.00 55.95 58.29 2b7t s SER 26 Cb 0.06 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 2b7t s SER 26 CO -0.00 -0.15 1.99 1.67 0.98 0.00 0.00 173.24 177.74 2b7t n GLN 27 N 2.47 2.65 -4.12 4.02 0.00 -1.26 -4.55 117.38 116.61 2b7t n GLN 27 Ca 0.02 0.95 -0.13 0.00 -0.00 0.00 0.00 57.00 57.84 2b7t n GLN 27 Cb 0.47 -2.98 -0.06 0.00 0.00 0.00 0.00 30.24 27.68 2b7t n GLN 27 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2b7t s THR 28 N 4.86 0.00 -4.07 1.69 -1.32 -0.32 -4.98 115.64 111.50 2b7t s THR 28 Ca 0.91 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 2b7t s THR 28 Cb -0.47 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2b7t s THR 28 CO 0.43 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 2b7t n GLY 29 N -0.46 0.97 3.80 6.08 0.00 -1.26 -0.38 105.19 113.93 2b7t n GLY 29 Ca 0.01 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 2b7t n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b7t s PRO 30 N -1.14 2.27 0.63 1.61 0.02 -1.26 -4.84 135.00 132.28 2b7t s PRO 30 Ca 0.00 0.77 0.34 0.00 0.02 0.00 0.00 61.00 62.13 2b7t s PRO 30 Cb 0.00 -1.93 1.92 0.00 0.02 0.00 0.00 34.50 34.51 2b7t s PRO 30 CO 0.00 -1.52 2.18 0.28 -0.33 0.00 0.00 177.00 177.61 2b7t h VAL 31 N -1.02 0.26 -0.02 3.83 2.07 -2.02 -2.28 116.25 117.07 2b7t h VAL 31 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2b7t h VAL 31 Cb 1.25 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2b7t h VAL 31 CO 0.58 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.93 2b7t n HIS 32 N -3.45 0.00 -2.87 1.57 -0.00 -1.26 -4.72 115.22 104.49 2b7t n HIS 32 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.59 2b7t n HIS 32 Cb 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.25 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2b7t n ALA 33 N 0.41 0.02 -1.63 1.59 0.00 -0.86 -5.13 120.51 114.90 2b7t n ALA 33 Ca 0.09 -2.04 -0.56 0.00 0.00 0.00 0.00 53.44 50.94 2b7t n ALA 33 Cb 0.44 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 0.48 0.97 -4.76 0.00 -0.02 -1.18 -4.03 135.00 126.45 2b7t n PRO 34 Ca 0.12 0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 2b7t n PRO 34 Cb 0.68 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.67 1.84 -0.06 2.45 1.98 0.49 -4.31 118.68 122.74 2b7t s LEU 35 Ca 0.91 -0.44 0.05 0.00 -2.89 0.00 0.00 54.13 51.76 2b7t s LEU 35 Cb -1.06 -1.14 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 2b7t s LEU 35 CO 0.57 0.07 -0.21 -0.36 -1.89 0.00 0.00 176.35 174.53 2b7t s PHE 36 N 0.66 2.55 -0.06 5.38 0.40 -0.52 -1.17 117.98 125.23 2b7t s PHE 36 Ca -0.13 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.71 2b7t s PHE 36 Cb -0.16 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 2b7t s PHE 36 CO 0.04 -0.10 -0.25 0.14 0.70 0.00 0.00 175.22 175.74 2b7t s VAL 37 N -0.26 2.06 -0.09 -0.44 -7.23 -0.75 -1.08 120.40 112.61 2b7t s VAL 37 Ca 0.00 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2b7t s VAL 37 Cb -0.13 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2b7t s VAL 37 CO 0.03 0.57 -0.11 -0.04 -0.31 0.00 0.00 175.10 175.24 2b7t s MET 38 N -0.17 2.97 -0.27 4.82 -1.94 -0.14 -0.74 119.30 123.83 2b7t s MET 38 Ca -0.03 -0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 53.13 2b7t s MET 38 Cb -0.14 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 2b7t s MET 38 CO 0.04 0.46 0.48 -1.54 -0.01 0.00 0.00 175.02 174.45 2b7t s SER 39 N -0.28 6.38 -0.16 3.03 1.04 -0.28 -0.86 113.70 122.57 2b7t s SER 39 Ca 0.03 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 2b7t s SER 39 Cb -0.13 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2b7t s SER 39 CO 0.03 -0.28 -0.00 0.54 0.98 0.00 0.00 173.24 174.51 2b7t s VAL 40 N 2.26 4.21 -0.19 5.02 0.11 -0.09 -0.96 120.40 130.75 2b7t s VAL 40 Ca 0.19 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 2b7t s VAL 40 Cb -0.16 -2.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2b7t s VAL 40 CO 0.10 0.48 0.05 -0.70 -3.33 0.00 0.00 175.10 171.70 2b7t s GLU 41 N 0.36 3.88 -0.00 1.54 -6.30 0.22 -0.34 118.70 118.05 2b7t s GLU 41 Ca -0.02 -0.39 0.02 0.00 -2.50 0.00 0.00 54.97 52.08 2b7t s GLU 41 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 34.13 30.76 2b7t s GLU 41 CO 0.02 0.17 0.03 1.55 0.02 0.00 0.00 175.26 177.05 2b7t n VAL 42 N 3.85 0.01 -0.91 3.70 3.14 -0.78 -1.13 118.33 126.22 2b7t n VAL 42 Ca -0.16 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2b7t n VAL 42 Cb 0.52 0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.62 0.00 0.00 6.55 5.15 -1.26 -4.81 115.26 119.27 2b7t n ASN 43 Ca -0.01 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2b7t n ASN 43 Cb 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 -0.61 3.51 8.20 0.00 -1.26 -5.15 105.19 109.88 2b7t n GLY 44 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.80 -0.06 1.61 0.00 -1.26 -5.17 119.66 115.58 2b7t s GLN 45 Ca 0.00 0.67 -0.02 0.00 -0.00 0.00 0.00 55.36 56.00 2b7t s GLN 45 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 33.01 33.36 2b7t s GLN 45 CO 0.00 -0.15 0.06 0.14 0.00 0.00 0.00 175.29 175.34 2b7t s VAL 46 N -0.12 4.74 -0.15 3.63 -7.23 -1.26 -1.86 120.40 118.15 2b7t s VAL 46 Ca -0.03 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2b7t s VAL 46 Cb -0.03 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.85 2b7t s VAL 46 CO 0.03 0.51 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.84 2b7t s PHE 47 N -1.03 2.18 -0.22 2.82 0.40 0.54 -4.92 117.98 117.75 2b7t s PHE 47 Ca 0.17 -1.25 -0.07 0.00 -0.60 0.00 0.00 56.93 55.18 2b7t s PHE 47 Cb -0.12 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 2b7t s PHE 47 CO 0.07 -0.68 0.07 -1.21 0.70 0.00 0.00 175.22 174.18 2b7t s GLU 48 N 1.48 3.82 -0.03 0.44 2.02 -1.26 -0.91 118.70 124.25 2b7t s GLU 48 Ca 0.04 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.66 2b7t s GLU 48 Cb -0.13 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 2b7t s GLU 48 CO -0.11 0.03 -0.14 0.20 0.02 0.00 0.00 175.26 175.26 2b7t s GLY 49 N 1.05 0.77 -0.18 -1.39 0.00 -0.04 -4.76 107.32 102.77 2b7t s GLY 49 Ca 0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2b7t s GLY 49 CO 0.03 -0.29 0.04 -1.35 0.00 0.00 0.00 173.10 171.54 2b7t s SER 50 N 0.04 5.43 0.04 1.64 1.04 -1.26 -0.97 113.70 119.66 2b7t s SER 50 Ca -0.02 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2b7t s SER 50 Cb -0.10 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 2b7t s SER 50 CO 0.01 0.16 -0.08 -0.83 0.98 0.00 0.00 173.24 173.48 2b7t s GLY 51 N 0.45 0.53 0.00 7.32 0.00 -0.24 -4.60 107.32 110.79 2b7t s GLY 51 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2b7t s GLY 51 CO 0.01 -0.82 0.72 -1.55 0.00 0.00 0.00 173.10 171.46 2b7t n PRO 52 N 1.48 0.30 -3.66 2.90 -0.04 -1.26 -1.44 135.00 133.28 2b7t n PRO 52 Ca -0.23 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.08 2b7t n PRO 52 Cb 0.55 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -2.00 0.03 0.43 0.52 -1.32 -1.26 -4.76 115.64 107.29 2b7t s THR 53 Ca 0.08 -0.29 0.16 0.00 -1.21 0.00 0.00 61.69 60.44 2b7t s THR 53 Cb 0.04 -0.80 0.36 0.00 -1.51 0.00 0.00 72.50 70.59 2b7t s THR 53 CO 0.06 -0.16 1.92 0.07 -2.21 0.00 0.00 174.62 174.30 2b7t h LYS 54 N 3.43 0.39 0.00 7.08 2.10 -1.88 -0.55 116.57 127.15 2b7t h LYS 54 Ca -0.29 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.28 2b7t h LYS 54 Cb 1.17 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2b7t h LYS 54 CO 0.40 0.26 -0.30 0.87 -2.00 0.00 0.00 179.45 178.68 2b7t h LYS 55 N 0.40 0.00 0.02 0.07 1.57 -1.97 -1.29 116.57 115.38 2b7t h LYS 55 Ca 0.38 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.87 2b7t h LYS 55 Cb 0.89 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 2b7t h LYS 55 CO -0.12 0.30 -1.61 -0.22 -0.57 0.00 0.00 179.45 177.23 2b7t h LYS 56 N 0.00 0.05 0.49 3.15 3.64 -1.63 -3.23 116.57 119.04 2b7t h LYS 56 Ca -0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2b7t h LYS 56 Cb 0.62 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2b7t h LYS 56 CO 0.04 0.70 -0.23 0.00 -2.27 0.00 0.00 179.45 177.69 2b7t h ALA 57 N 0.86 -0.66 -0.88 5.00 0.00 -0.85 0.07 119.26 122.80 2b7t h ALA 57 Ca -0.25 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2b7t h ALA 57 Cb 1.98 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.95 2b7t h ALA 57 CO 0.10 -0.86 0.53 1.57 0.00 0.00 0.00 179.25 180.59 2b7t h LYS 58 N -0.68 0.87 0.10 0.00 2.10 -1.42 -0.69 116.57 116.86 2b7t h LYS 58 Ca -0.07 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2b7t h LYS 58 Cb 0.51 -0.20 -0.04 0.00 -0.90 0.00 0.00 32.23 31.61 2b7t h LYS 58 CO 0.11 0.58 -0.31 1.25 -2.00 0.00 0.00 179.45 179.08 2b7t h LEU 59 N 0.90 -0.90 -0.71 7.07 5.85 -1.55 -1.46 115.31 124.50 2b7t h LEU 59 Ca 0.41 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.32 2b7t h LEU 59 Cb 0.32 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 2b7t h LEU 59 CO -0.23 -0.40 0.39 -0.74 -0.34 0.00 0.00 178.44 177.12 2b7t h HIS 60 N -0.52 0.70 0.38 1.25 2.76 -0.19 0.22 115.15 119.75 2b7t h HIS 60 Ca 0.04 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2b7t h HIS 60 Cb 0.56 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2b7t h HIS 60 CO -0.29 0.30 -0.35 0.00 -1.30 0.00 0.00 177.93 176.29 2b7t h ALA 61 N 1.39 -1.05 -0.47 5.26 0.00 -1.04 -1.98 119.26 121.37 2b7t h ALA 61 Ca 0.33 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2b7t h ALA 61 Cb 0.27 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2b7t h ALA 61 CO -0.22 -1.07 0.26 0.00 0.00 0.00 0.00 179.25 178.22 2b7t h ALA 62 N -1.19 0.60 0.48 0.00 0.00 -1.05 0.12 119.26 118.21 2b7t h ALA 62 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 62 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2b7t h ALA 62 CO -0.03 -0.07 -0.46 1.49 0.00 0.00 0.00 179.25 180.18 2b7t h GLU 63 N 0.52 -0.90 -1.01 0.00 4.22 -0.61 -1.58 114.58 115.23 2b7t h GLU 63 Ca 0.20 0.06 0.09 0.00 0.08 0.00 0.00 59.36 59.79 2b7t h GLU 63 Cb 0.06 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 2b7t h GLU 63 CO -0.11 -0.60 0.64 -0.22 -2.18 0.00 0.00 179.01 176.54 2b7t h LYS 64 N -0.93 1.05 0.33 1.92 3.64 -1.33 -1.42 116.57 119.83 2b7t h LYS 64 Ca -0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2b7t h LYS 64 Cb 0.80 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2b7t h LYS 64 CO -0.05 0.70 -0.31 0.00 -2.27 0.00 0.00 179.45 177.51 2b7t h ALA 65 N 1.50 -1.01 -0.48 5.00 0.00 -0.07 0.23 119.26 124.44 2b7t h ALA 65 Ca 0.47 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2b7t h ALA 65 Cb 0.34 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2b7t h ALA 65 CO -0.22 -1.03 -0.06 -0.07 0.00 0.00 0.00 179.25 177.87 2b7t h LEU 66 N -0.64 0.82 0.46 0.00 -0.00 -1.35 -1.41 115.31 113.19 2b7t h LEU 66 Ca -0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2b7t h LEU 66 Cb 0.55 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2b7t h LEU 66 CO -0.03 0.92 -0.46 -0.09 -0.00 0.00 0.00 178.44 178.78 2b7t h ARG 67 N 0.77 -0.90 -0.80 1.13 1.12 -1.04 0.16 114.38 114.82 2b7t h ARG 67 Ca 0.14 0.06 0.09 0.00 -1.11 0.00 0.00 59.98 59.15 2b7t h ARG 67 Cb 0.55 0.20 -0.07 0.00 -0.01 0.00 0.00 29.97 30.65 2b7t h ARG 67 CO 0.03 -0.60 0.46 1.03 -3.11 0.00 0.00 179.97 177.78 2b7t h SER 68 N -0.93 0.66 0.34 -3.80 0.87 -0.57 -3.10 113.55 107.03 2b7t h SER 68 Ca -0.05 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 2b7t h SER 68 Cb 0.82 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2b7t h SER 68 CO -0.07 0.39 -0.67 0.15 -0.53 0.00 0.00 176.83 176.10 2b7t h PHE 69 N 0.78 0.39 -1.28 2.24 3.04 -1.01 -3.45 116.94 117.66 2b7t h PHE 69 Ca 0.38 -0.17 -0.34 0.00 3.98 0.00 0.00 57.97 61.83 2b7t h PHE 69 Cb 0.32 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2b7t h PHE 69 CO -0.06 0.88 1.10 0.08 -2.02 0.00 0.00 178.31 178.28 2b7t s VAL 70 N -3.66 3.10 0.00 1.41 1.01 0.53 -2.77 120.40 120.02 2b7t s VAL 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2b7t s VAL 70 Cb 0.11 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2b7t s VAL 70 CO 0.82 -0.25 0.00 1.67 0.00 0.00 0.00 175.10 177.34 2b7t n GLN 71 N 8.98 0.00 -2.56 2.72 -0.06 -1.26 -5.04 117.38 120.16 2b7t n GLN 71 Ca 0.37 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 55.06 2b7t n GLN 71 Cb 0.51 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 2b7t n GLN 71 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 2b7t s PHE 72 N 0.00 3.47 -2.00 3.69 0.40 -1.12 -5.31 117.98 117.12 2b7t s PHE 72 Ca 0.00 1.29 0.26 0.00 -0.60 0.00 0.00 56.93 57.88 2b7t s PHE 72 Cb 0.00 -2.65 1.58 0.00 0.51 0.00 0.00 43.02 42.46 2b7t s PHE 72 CO 0.00 -0.28 1.93 -0.35 0.70 0.00 0.00 175.22 177.22