#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 -0.58 3.74 -1.23 0.00 -1.26 -5.12 105.19 100.73 2b7t n GLY 2 Ca 0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2b7t n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b7t s PRO 3 N -0.36 4.17 0.03 1.61 0.04 -1.26 -4.64 135.00 134.60 2b7t s PRO 3 Ca 0.00 2.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2b7t s PRO 3 Cb 0.00 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2b7t s PRO 3 CO 0.00 -0.61 0.35 0.54 0.04 0.00 0.00 177.00 177.33 2b7t s VAL 4 N 0.50 0.07 0.25 -0.36 0.11 -1.26 -4.88 120.40 114.83 2b7t s VAL 4 Ca 0.66 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2b7t s VAL 4 Cb -0.46 -0.89 0.22 0.00 -1.53 0.00 0.00 36.38 33.72 2b7t s VAL 4 CO 0.40 -0.30 1.73 -0.07 -3.33 0.00 0.00 175.10 173.53 2b7t h LEU 5 N 3.24 0.33 0.00 2.54 3.38 -1.98 -0.66 115.31 122.16 2b7t h LEU 5 Ca -0.31 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2b7t h LEU 5 Cb 1.20 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2b7t h LEU 5 CO 0.44 0.12 -0.34 -0.65 0.09 0.00 0.00 178.44 178.10 2b7t h PRO 6 N 0.47 -0.48 0.20 1.13 0.11 -1.99 -0.44 132.00 131.01 2b7t h PRO 6 Ca 0.43 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.58 2b7t h PRO 6 Cb 0.64 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 2b7t h PRO 6 CO -0.40 -0.32 -0.32 -0.22 -0.21 0.00 0.00 178.00 176.53 2b7t h LYS 7 N -0.50 -0.57 -0.71 1.05 3.64 -1.81 -1.97 116.57 115.70 2b7t h LYS 7 Ca 0.06 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2b7t h LYS 7 Cb 0.59 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 2b7t h LYS 7 CO -0.28 -0.38 0.42 -0.91 -2.27 0.00 0.00 179.45 176.03 2b7t h ASN 8 N -0.59 0.66 0.66 4.20 2.35 -0.86 0.64 115.58 122.64 2b7t h ASN 8 Ca 0.01 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2b7t h ASN 8 Cb 0.58 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.84 2b7t h ASN 8 CO -0.13 0.44 -0.32 0.00 -1.65 0.00 0.00 177.43 175.77 2b7t h ALA 9 N 1.34 -0.88 -0.38 -0.83 0.00 -1.08 -1.00 119.26 116.42 2b7t h ALA 9 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2b7t h ALA 9 Cb 0.12 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2b7t h ALA 9 CO -0.15 -0.94 0.22 -0.07 0.00 0.00 0.00 179.25 178.31 2b7t h LEU 10 N -1.00 0.35 -0.50 0.00 -0.00 -0.72 -0.46 115.31 112.97 2b7t h LEU 10 Ca -0.09 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.85 2b7t h LEU 10 Cb 0.71 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.25 2b7t h LEU 10 CO 0.15 0.25 0.21 0.00 -0.00 0.00 0.00 178.44 179.05 2b7t h MET 11 N 0.44 0.40 -0.04 1.13 -0.00 -1.01 -0.94 114.93 114.90 2b7t h MET 11 Ca 0.15 -0.02 0.02 0.00 -0.00 0.00 0.00 59.70 59.85 2b7t h MET 11 Cb 0.01 -0.09 -0.05 0.00 -0.00 0.00 0.00 31.60 31.48 2b7t h MET 11 CO -0.07 0.26 -0.42 0.37 -0.00 0.00 0.00 176.91 177.05 2b7t h GLN 12 N 0.41 -0.48 -0.00 -0.10 4.15 0.30 -0.26 115.11 119.13 2b7t h GLN 12 Ca 0.24 0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.45 2b7t h GLN 12 Cb 0.21 0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.02 2b7t h GLN 12 CO -0.21 -0.32 -0.96 1.37 -1.93 0.00 0.00 178.83 176.77 2b7t h LEU 13 N -0.50 0.63 -1.61 -2.39 -0.00 -1.34 -1.62 115.31 108.48 2b7t h LEU 13 Ca 0.01 -0.50 0.07 0.00 -0.00 0.00 0.00 57.88 57.47 2b7t h LEU 13 Cb 0.55 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2b7t h LEU 13 CO -0.30 1.30 0.38 0.78 -0.00 0.00 0.00 178.44 180.59 2b7t h ASN 14 N 0.28 0.41 0.30 0.17 2.35 -1.15 -0.07 115.58 117.87 2b7t h ASN 14 Ca -0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2b7t h ASN 14 Cb 1.60 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.89 2b7t h ASN 14 CO 0.17 0.26 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.74 2b7t h GLU 15 N 0.46 -0.39 -0.91 0.81 5.08 -0.93 -3.20 114.58 115.49 2b7t h GLU 15 Ca 0.25 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2b7t h GLU 15 Cb 0.39 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2b7t h GLU 15 CO -0.07 -0.26 0.60 0.82 -1.00 0.00 0.00 179.01 179.11 2b7t h ILE 16 N -0.50 1.24 -2.55 3.13 2.04 -1.03 -3.35 117.51 116.47 2b7t h ILE 16 Ca -0.04 -0.43 -0.59 0.00 1.00 0.00 0.00 64.86 64.80 2b7t h ILE 16 Cb 0.31 -0.11 -0.39 0.00 -0.74 0.00 0.00 36.82 35.89 2b7t h ILE 16 CO 0.07 0.23 -0.88 -0.54 0.00 0.00 0.00 178.15 177.02 2b7t s LYS 17 N -6.12 0.94 -0.97 2.37 -0.14 -0.06 -5.06 119.74 110.70 2b7t s LYS 17 Ca -0.13 -1.94 -0.07 0.00 -1.36 0.00 0.00 55.97 52.48 2b7t s LYS 17 Cb 0.17 -1.62 -0.09 0.00 -1.68 0.00 0.00 37.83 34.61 2b7t s LYS 17 CO 0.81 -1.30 2.52 -0.35 -0.76 0.00 0.00 175.35 176.27 2b7t n PRO 18 N 3.24 2.49 -2.68 -1.68 -0.04 -1.21 -4.08 135.00 131.04 2b7t n PRO 18 Ca 0.21 -1.55 -0.05 0.00 -0.04 0.00 0.00 63.50 62.07 2b7t n PRO 18 Cb 0.42 -2.45 0.10 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.48 -0.87 3.76 0.55 0.00 -1.26 -5.10 105.19 105.75 2b7t n GLY 19 Ca 0.53 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.56 3.78 -0.25 0.99 1.02 -1.26 -4.71 118.68 116.70 2b7t s LEU 20 Ca 0.20 0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.37 2b7t s LEU 20 Cb 0.28 -2.37 0.07 0.00 0.02 0.00 0.00 46.19 44.20 2b7t s LEU 20 CO -0.15 0.21 0.03 -1.10 0.02 0.00 0.00 176.35 175.36 2b7t s GLN 21 N -2.12 1.04 -0.13 1.70 1.11 -0.70 -4.93 119.66 115.62 2b7t s GLN 21 Ca 0.26 -0.89 -0.05 0.00 0.01 0.00 0.00 55.36 54.69 2b7t s GLN 21 Cb -0.12 -2.30 -0.04 0.00 -1.01 0.00 0.00 33.01 29.54 2b7t s GLN 21 CO 0.18 -0.75 0.05 0.71 0.01 0.00 0.00 175.29 175.50 2b7t s TYR 22 N 1.58 3.29 0.01 0.91 1.51 -1.26 -0.60 117.35 122.79 2b7t s TYR 22 Ca 0.01 0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.32 2b7t s TYR 22 Cb -0.18 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2b7t s TYR 22 CO -0.13 0.39 -0.12 1.41 -1.11 0.00 0.00 175.55 175.99 2b7t s MET 23 N -0.38 0.90 -0.14 -0.62 1.75 -0.15 -4.99 119.30 115.66 2b7t s MET 23 Ca 0.09 -0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 53.92 2b7t s MET 23 Cb -0.12 -0.88 -0.03 0.00 2.84 0.00 0.00 34.83 36.65 2b7t s MET 23 CO 0.02 0.23 -0.03 -1.17 -0.65 0.00 0.00 175.02 173.41 2b7t s LEU 24 N -0.71 3.28 0.21 4.11 2.96 -1.26 -1.17 118.68 126.10 2b7t s LEU 24 Ca 0.02 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2b7t s LEU 24 Cb -0.06 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2b7t s LEU 24 CO 0.00 0.20 0.06 -0.76 -1.32 0.00 0.00 176.35 174.53 2b7t s LEU 25 N 0.15 1.81 0.15 -0.68 2.01 0.50 -5.01 118.68 117.62 2b7t s LEU 25 Ca -0.01 -1.29 -0.30 0.00 0.01 0.00 0.00 54.13 52.54 2b7t s LEU 25 Cb -0.14 0.03 -0.07 0.00 0.01 0.00 0.00 46.19 46.02 2b7t s LEU 25 CO 0.03 -0.67 1.10 -0.94 1.01 0.00 0.00 176.35 176.88 2b7t s SER 26 N -3.23 7.26 -0.00 2.29 1.04 -1.26 -1.71 113.70 118.08 2b7t s SER 26 Ca 0.31 2.05 -0.30 0.00 0.48 0.00 0.00 55.95 58.50 2b7t s SER 26 Cb 0.07 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 2b7t s SER 26 CO 0.09 -0.25 1.88 -1.58 0.98 0.00 0.00 173.24 174.36 2b7t s GLN 27 N -0.12 4.11 0.00 4.02 -0.44 -1.26 -4.49 119.66 121.48 2b7t s GLN 27 Ca 0.50 2.45 0.00 0.00 -2.50 0.00 0.00 55.36 55.82 2b7t s GLN 27 Cb -0.29 -4.12 0.00 0.00 -1.64 0.00 0.00 33.01 26.96 2b7t s GLN 27 CO 0.34 -0.97 0.00 -2.37 0.50 0.00 0.00 175.29 172.78 2b7t n THR 28 N 5.63 0.00 -2.01 -0.34 5.66 -0.24 -4.99 114.28 117.99 2b7t n THR 28 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2b7t n THR 28 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.00 -1.02 1.65 1.09 0.00 -1.26 -0.54 105.19 105.10 2b7t n GLY 29 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2b7t n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7t n PRO 30 N -0.38 1.55 0.00 1.61 -0.04 -1.26 -4.84 135.00 131.64 2b7t n PRO 30 Ca 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 2b7t n PRO 30 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2b7t n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2b7t n VAL 31 N 0.29 0.00 0.43 0.52 0.31 -1.26 -4.54 118.33 114.08 2b7t n VAL 31 Ca 0.23 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.61 2b7t n VAL 31 Cb 0.73 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.69 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 0.00 0.00 -3.21 3.52 1.44 -1.26 -4.77 115.22 110.95 2b7t n HIS 32 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 2b7t n HIS 32 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 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 0.46 1.84 -1.69 1.59 0.00 -1.26 -5.13 120.51 116.33 2b7t n ALA 33 Ca 0.06 -2.82 -0.58 0.00 0.00 0.00 0.00 53.44 50.10 2b7t n ALA 33 Cb 0.25 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 2.32 1.00 -5.11 0.00 -0.02 -1.26 -4.31 135.00 127.62 2b7t n PRO 34 Ca 0.24 0.37 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 2b7t n PRO 34 Cb 0.52 -2.02 -0.16 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.86 2.25 0.07 2.45 1.98 0.30 -3.72 118.68 124.86 2b7t s LEU 35 Ca 0.96 -0.50 0.07 0.00 -2.89 0.00 0.00 54.13 51.78 2b7t s LEU 35 Cb -1.10 -1.46 -0.03 0.00 0.66 0.00 0.00 46.19 44.26 2b7t s LEU 35 CO 0.64 0.16 -0.20 -0.36 -1.89 0.00 0.00 176.35 174.70 2b7t s PHE 36 N 0.34 1.72 -0.05 5.38 0.40 -0.53 -1.08 117.98 124.16 2b7t s PHE 36 Ca -0.17 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 2b7t s PHE 36 Cb -0.17 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 2b7t s PHE 36 CO 0.08 0.13 -0.22 0.14 0.70 0.00 0.00 175.22 176.06 2b7t s VAL 37 N -0.98 1.81 -0.06 -0.44 -7.23 -0.70 -1.10 120.40 111.70 2b7t s VAL 37 Ca 0.06 -0.93 0.05 0.00 -1.81 0.00 0.00 61.98 59.35 2b7t s VAL 37 Cb -0.09 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 2b7t s VAL 37 CO 0.03 0.51 -0.22 -0.04 -0.31 0.00 0.00 175.10 175.07 2b7t s MET 38 N -0.09 2.64 -0.37 4.82 -1.94 -0.31 -0.37 119.30 123.69 2b7t s MET 38 Ca -0.04 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 52.97 2b7t s MET 38 Cb -0.13 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 2b7t s MET 38 CO 0.03 0.41 0.26 -1.54 -0.01 0.00 0.00 175.02 174.16 2b7t s SER 39 N -0.21 6.03 -0.13 3.03 1.04 -0.32 -1.23 113.70 121.91 2b7t s SER 39 Ca -0.01 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 2b7t s SER 39 Cb -0.13 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 2b7t s SER 39 CO 0.03 -0.32 -0.01 0.54 0.98 0.00 0.00 173.24 174.46 2b7t s VAL 40 N 1.69 4.13 -0.18 5.02 0.11 -0.19 -0.98 120.40 130.00 2b7t s VAL 40 Ca 0.05 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.75 2b7t s VAL 40 Cb -0.18 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 2b7t s VAL 40 CO 0.10 0.53 0.04 -0.70 -3.33 0.00 0.00 175.10 171.74 2b7t s GLU 41 N -0.09 3.91 0.00 1.54 -6.30 0.23 -0.55 118.70 117.45 2b7t s GLU 41 Ca 0.03 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.12 2b7t s GLU 41 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 30.85 2b7t s GLU 41 CO 0.02 0.28 0.00 1.55 0.02 0.00 0.00 175.26 177.13 2b7t n VAL 42 N 3.51 0.00 -0.36 3.70 3.14 -0.65 -1.73 118.33 125.93 2b7t n VAL 42 Ca -0.17 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2b7t n VAL 42 Cb 0.52 0.51 0.00 0.00 -1.06 0.00 0.00 33.84 33.81 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 -1.08 0.00 0.00 6.55 5.15 -1.26 -4.92 115.26 119.69 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 0.33 3.63 8.20 0.00 -1.26 -5.15 105.19 110.95 2b7t n GLY 44 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2b7t n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b7t s GLN 45 N 0.00 0.75 -0.06 1.61 0.74 -1.26 -5.16 119.66 116.28 2b7t s GLN 45 Ca 0.00 0.92 -0.02 0.00 0.05 0.00 0.00 55.36 56.31 2b7t s GLN 45 Cb 0.00 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 2b7t s GLN 45 CO 0.00 -0.09 0.06 0.54 -0.55 0.00 0.00 175.29 175.24 2b7t s VAL 46 N 0.46 4.68 -0.13 1.34 0.11 -1.26 -1.64 120.40 123.95 2b7t s VAL 46 Ca -0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2b7t s VAL 46 Cb -0.05 -3.05 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2b7t s VAL 46 CO -0.02 0.50 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.78 2b7t s PHE 47 N -1.03 1.85 -0.21 1.54 0.08 0.29 -4.90 117.98 115.59 2b7t s PHE 47 Ca 0.17 -0.98 -0.09 0.00 0.12 0.00 0.00 56.93 56.15 2b7t s PHE 47 Cb -0.12 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.87 2b7t s PHE 47 CO 0.07 -0.59 0.12 -1.21 -0.10 0.00 0.00 175.22 173.51 2b7t s GLU 48 N 1.55 4.05 -0.02 0.44 0.41 -1.26 -1.02 118.70 122.85 2b7t s GLU 48 Ca 0.04 -0.29 0.02 0.00 -0.41 0.00 0.00 54.97 54.33 2b7t s GLU 48 Cb -0.13 -3.40 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 2b7t s GLU 48 CO -0.09 0.17 -0.05 0.20 -0.49 0.00 0.00 175.26 175.00 2b7t s GLY 49 N 0.70 0.34 -0.19 -1.39 0.00 -0.37 -4.69 107.32 101.71 2b7t s GLY 49 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.55 2b7t s GLY 49 CO 0.01 0.05 0.06 -0.56 0.00 0.00 0.00 173.10 172.66 2b7t s SER 50 N 0.27 5.48 0.06 1.64 0.01 -1.26 -1.16 113.70 118.74 2b7t s SER 50 Ca -0.03 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2b7t s SER 50 Cb -0.07 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 2b7t s SER 50 CO -0.00 0.13 -0.08 -0.83 0.41 0.00 0.00 173.24 172.87 2b7t s GLY 51 N 0.63 0.58 0.00 3.44 0.00 -0.26 -4.66 107.32 107.06 2b7t s GLY 51 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2b7t s GLY 51 CO 0.02 -0.99 0.25 -1.55 0.00 0.00 0.00 173.10 170.82 2b7t n PRO 52 N 1.05 0.47 -3.61 2.90 -0.04 -1.26 -1.46 135.00 133.05 2b7t n PRO 52 Ca -0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.20 2b7t n PRO 52 Cb 0.56 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.92 0.00 0.44 0.52 -1.32 -1.24 -4.69 115.64 108.42 2b7t s THR 53 Ca 0.00 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 2b7t s THR 53 Cb 0.00 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 2b7t s THR 53 CO 0.00 0.00 1.84 0.07 -2.21 0.00 0.00 174.62 174.32 2b7t h LYS 54 N 2.59 0.30 0.00 7.08 2.10 -1.88 -0.52 116.57 126.24 2b7t h LYS 54 Ca -0.16 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.39 2b7t h LYS 54 Cb 1.18 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2b7t h LYS 54 CO 0.24 0.20 -0.39 0.87 -2.00 0.00 0.00 179.45 178.38 2b7t h LYS 55 N 0.31 0.00 0.00 0.07 1.57 -1.96 -1.00 116.57 115.56 2b7t h LYS 55 Ca 0.49 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 59.00 2b7t h LYS 55 Cb 1.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.65 2b7t h LYS 55 CO -0.16 0.39 -1.58 0.87 -0.57 0.00 0.00 179.45 178.39 2b7t h LYS 56 N 0.00 0.00 0.64 3.15 1.57 -1.61 -3.13 116.57 117.19 2b7t h LYS 56 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2b7t h LYS 56 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 2b7t h LYS 56 CO 0.05 0.53 -0.31 0.00 -0.57 0.00 0.00 179.45 179.16 2b7t h ALA 57 N 1.04 -0.86 -0.87 3.86 0.00 -0.97 -0.51 119.26 120.95 2b7t h ALA 57 Ca -0.24 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.57 2b7t h ALA 57 Cb 1.94 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 20.00 2b7t h ALA 57 CO 0.08 -0.96 0.56 1.57 0.00 0.00 0.00 179.25 180.51 2b7t h LYS 58 N -0.91 0.84 0.14 0.00 5.09 -1.36 -0.93 116.57 119.43 2b7t h LYS 58 Ca -0.09 -0.05 0.02 0.00 0.09 0.00 0.00 60.65 60.62 2b7t h LYS 58 Cb 0.68 -0.19 -0.04 0.00 0.10 0.00 0.00 32.23 32.78 2b7t h LYS 58 CO 0.14 0.55 -0.32 1.25 -2.09 0.00 0.00 179.45 178.99 2b7t h LEU 59 N 0.86 -0.92 -0.24 7.07 5.85 -1.47 -0.37 115.31 126.09 2b7t h LEU 59 Ca 0.40 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.27 2b7t h LEU 59 Cb 0.39 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2b7t h LEU 59 CO -0.16 -0.41 -0.04 -0.74 -0.34 0.00 0.00 178.44 176.74 2b7t h HIS 60 N -0.56 -0.10 0.13 1.25 2.76 -0.22 0.20 115.15 118.61 2b7t h HIS 60 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2b7t h HIS 60 Cb 0.58 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 2b7t h HIS 60 CO -0.28 -0.09 -0.33 0.00 -1.30 0.00 0.00 177.93 175.94 2b7t h ALA 61 N 1.23 -0.87 -0.14 5.26 0.00 -1.20 -2.14 119.26 121.39 2b7t h ALA 61 Ca 0.11 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2b7t h ALA 61 Cb 0.17 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2b7t h ALA 61 CO -0.23 -0.94 -0.09 0.00 0.00 0.00 0.00 179.25 177.99 2b7t h ALA 62 N -0.99 0.02 0.43 0.00 0.00 -0.74 0.26 119.26 118.24 2b7t h ALA 62 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2b7t h ALA 62 Cb 0.49 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2b7t h ALA 62 CO -0.15 -0.54 -0.44 1.49 0.00 0.00 0.00 179.25 179.62 2b7t h GLU 63 N -0.10 -0.83 -0.44 0.00 4.22 -0.63 -1.47 114.58 115.33 2b7t h GLU 63 Ca 0.09 0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.60 2b7t h GLU 63 Cb 0.22 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2b7t h GLU 63 CO -0.20 -0.55 0.29 1.57 -2.18 0.00 0.00 179.01 177.93 2b7t h LYS 64 N -0.86 0.53 0.46 1.92 2.10 -1.37 -1.70 116.57 117.65 2b7t h LYS 64 Ca -0.05 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2b7t h LYS 64 Cb 0.75 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 2b7t h LYS 64 CO -0.06 0.35 -0.45 0.00 -2.00 0.00 0.00 179.45 177.29 2b7t h ALA 65 N 1.74 -1.01 -0.16 0.07 0.00 0.50 0.30 119.26 120.69 2b7t h ALA 65 Ca 0.17 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2b7t h ALA 65 Cb 0.01 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2b7t h ALA 65 CO -0.04 -1.11 -0.61 1.25 0.00 0.00 0.00 179.25 178.74 2b7t h LEU 66 N -0.92 0.64 0.06 0.00 6.46 -1.31 -1.27 115.31 118.97 2b7t h LEU 66 Ca -0.05 -0.37 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 2b7t h LEU 66 Cb 0.81 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 2b7t h LEU 66 CO -0.06 1.10 -0.25 -0.09 -0.62 0.00 0.00 178.44 178.52 2b7t h ARG 67 N 0.42 -0.40 0.20 1.25 2.43 -1.12 -1.44 114.38 115.72 2b7t h ARG 67 Ca -0.01 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2b7t h ARG 67 Cb 1.18 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 2b7t h ARG 67 CO 0.12 -0.27 -0.30 1.03 -1.51 0.00 0.00 179.97 179.04 2b7t h SER 68 N -0.42 -0.83 -1.02 -3.80 0.87 -0.46 -3.12 113.55 104.77 2b7t h SER 68 Ca 0.04 0.09 0.28 0.00 -1.23 0.00 0.00 61.79 60.97 2b7t h SER 68 Cb 0.47 0.30 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 2b7t h SER 68 CO -0.18 -0.40 0.71 0.15 -0.53 0.00 0.00 176.83 176.57 2b7t h PHE 69 N -0.57 0.24 0.00 2.24 3.57 -0.92 0.23 116.94 121.73 2b7t h PHE 69 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2b7t h PHE 69 Cb 0.56 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2b7t h PHE 69 CO -0.23 0.03 0.13 0.28 -2.23 0.00 0.00 178.31 176.29 2b7t h VAL 70 N 0.15 0.00 0.00 1.41 2.07 -1.20 -3.25 116.25 115.43 2b7t h VAL 70 Ca 0.52 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.04 2b7t h VAL 70 Cb 1.75 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2b7t h VAL 70 CO -0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.49 2b7t n GLN 71 N -2.84 0.00 -3.40 1.57 0.00 -0.53 -4.98 117.38 107.20 2b7t n GLN 71 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.72 2b7t n GLN 71 Cb 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 30.24 30.26 2b7t n GLN 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2b7t n PHE 72 N 0.00 0.33 0.00 2.61 3.72 0.70 -5.15 117.46 119.67 2b7t n PHE 72 Ca 0.00 -3.62 0.00 0.00 -0.05 0.00 0.00 57.45 53.78 2b7t n PHE 72 Cb 0.04 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 2b7t n PHE 72 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41