#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 -1.54 0.62 -1.23 0.00 -1.26 -4.29 105.19 97.49 2b7t n GLY 2 Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.21 1.79 0.00 1.61 -0.04 -1.26 -4.98 135.00 131.91 2b7t n PRO 3 Ca 0.00 -1.22 0.02 0.00 -0.04 0.00 0.00 63.50 62.26 2b7t n PRO 3 Cb 0.00 -1.33 0.12 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.46 0.00 -4.24 0.52 0.24 -1.26 -4.40 118.33 109.65 2b7t n VAL 4 Ca 0.14 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.27 2b7t n VAL 4 Cb 0.31 -0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.36 2.00 -0.67 1.34 1.43 -1.26 -5.06 118.68 115.11 2b7t s LEU 5 Ca 0.06 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 2b7t s LEU 5 Cb 0.03 -0.34 -0.15 0.00 0.03 0.00 0.00 46.19 45.75 2b7t s LEU 5 CO 0.05 0.08 1.77 -2.65 0.23 0.00 0.00 176.35 175.83 2b7t n PRO 6 N 2.93 0.00 0.00 1.29 -0.02 -1.26 -4.51 135.00 133.43 2b7t n PRO 6 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2b7t n PRO 6 Cb 0.58 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 2b7t n PRO 6 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2b7t n LYS 7 N 5.52 0.00 0.38 -0.52 4.81 -1.26 -1.57 118.16 125.51 2b7t n LYS 7 Ca 0.44 0.67 -0.18 0.00 -0.87 0.00 0.00 58.31 58.36 2b7t n LYS 7 Cb 0.03 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 2b7t n LYS 7 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2b7t h ASN 8 N 0.00 -1.06 0.50 3.14 -1.07 -1.95 -1.18 115.58 113.95 2b7t h ASN 8 Ca 0.00 0.06 -0.01 0.00 0.07 0.00 0.00 56.30 56.42 2b7t h ASN 8 Cb 0.00 0.31 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 2b7t h ASN 8 CO 0.00 -0.65 -0.37 0.00 0.07 0.00 0.00 177.43 176.47 2b7t h ALA 9 N -0.82 -0.88 -0.28 4.14 0.00 -1.94 -1.69 119.26 117.79 2b7t h ALA 9 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2b7t h ALA 9 Cb 0.84 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2b7t h ALA 9 CO 0.08 -1.02 0.14 -0.07 0.00 0.00 0.00 179.25 178.38 2b7t h LEU 10 N -0.85 0.36 -0.62 0.00 -0.00 -1.25 -1.56 115.31 111.39 2b7t h LEU 10 Ca -0.05 -0.11 0.07 0.00 -0.00 0.00 0.00 57.88 57.78 2b7t h LEU 10 Cb 0.72 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 41.23 2b7t h LEU 10 CO 0.01 0.37 0.31 0.00 -0.00 0.00 0.00 178.44 179.13 2b7t h MET 11 N 0.32 0.54 -0.05 1.13 -0.00 -1.29 0.17 114.93 115.75 2b7t h MET 11 Ca 0.10 -0.03 0.02 0.00 -0.00 0.00 0.00 59.70 59.79 2b7t h MET 11 Cb 0.10 -0.12 -0.06 0.00 -0.00 0.00 0.00 31.60 31.53 2b7t h MET 11 CO -0.01 0.36 -0.52 0.37 -0.00 0.00 0.00 176.91 177.11 2b7t h GLN 12 N 0.56 -0.59 0.00 -0.10 4.15 -0.38 -1.50 115.11 117.26 2b7t h GLN 12 Ca 0.29 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.62 2b7t h GLN 12 Cb 0.25 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 2b7t h GLN 12 CO -0.22 -0.39 -0.62 1.37 -1.93 0.00 0.00 178.83 177.04 2b7t h LEU 13 N -0.61 0.00 -0.22 -2.39 -0.00 -1.19 -1.96 115.31 108.94 2b7t h LEU 13 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2b7t h LEU 13 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2b7t h LEU 13 CO -0.37 0.62 0.14 -1.13 -0.00 0.00 0.00 178.44 177.70 2b7t h ASN 14 N 0.00 0.26 0.50 0.17 -0.00 -0.32 0.18 115.58 116.36 2b7t h ASN 14 Ca -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 56.30 56.25 2b7t h ASN 14 Cb 1.16 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.40 2b7t h ASN 14 CO 0.08 0.21 -0.46 -0.33 -0.00 0.00 0.00 177.43 176.92 2b7t h GLU 15 N 0.28 -0.93 -0.81 6.67 4.39 -1.28 -2.18 114.58 120.73 2b7t h GLU 15 Ca 0.08 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.88 2b7t h GLU 15 Cb -0.01 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2b7t h GLU 15 CO -0.02 -0.62 0.51 0.82 -1.16 0.00 0.00 179.01 178.54 2b7t h ILE 16 N -0.96 1.09 -2.29 3.13 2.04 -1.09 -3.38 117.51 116.05 2b7t h ILE 16 Ca -0.06 -0.33 -0.47 0.00 1.00 0.00 0.00 64.86 65.00 2b7t h ILE 16 Cb 0.83 0.04 -0.35 0.00 -0.74 0.00 0.00 36.82 36.60 2b7t h ILE 16 CO -0.04 0.18 -0.76 -0.54 0.00 0.00 0.00 178.15 176.98 2b7t s LYS 17 N -6.09 0.56 -0.29 2.37 -0.14 0.60 -5.05 119.74 111.70 2b7t s LYS 17 Ca -0.13 -1.03 -0.06 0.00 -1.36 0.00 0.00 55.97 53.40 2b7t s LYS 17 Cb 0.17 -1.00 -0.19 0.00 -1.68 0.00 0.00 37.83 35.12 2b7t s LYS 17 CO 0.78 -1.19 3.01 -0.35 -0.76 0.00 0.00 175.35 176.85 2b7t n PRO 18 N 4.25 1.97 -2.56 -1.68 -0.04 -0.82 -4.01 135.00 132.10 2b7t n PRO 18 Ca 0.10 -1.06 -0.04 0.00 -0.04 0.00 0.00 63.50 62.46 2b7t n PRO 18 Cb 0.41 -2.07 0.02 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.81 -0.15 3.92 0.55 0.00 -1.26 -5.12 105.19 105.94 2b7t n GLY 19 Ca 0.42 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.32 4.21 -0.24 0.99 1.02 -1.26 -4.85 118.68 116.23 2b7t s LEU 20 Ca 0.07 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.68 2b7t s LEU 20 Cb 0.15 -3.22 0.06 0.00 0.02 0.00 0.00 46.19 43.20 2b7t s LEU 20 CO -0.04 -0.05 -0.04 -1.10 0.02 0.00 0.00 176.35 175.15 2b7t s GLN 21 N -3.28 1.53 -0.13 1.70 1.11 -0.78 -4.92 119.66 114.89 2b7t s GLN 21 Ca 0.39 -1.02 -0.05 0.00 0.01 0.00 0.00 55.36 54.69 2b7t s GLN 21 Cb -0.11 -2.57 -0.04 0.00 -1.01 0.00 0.00 33.01 29.28 2b7t s GLN 21 CO 0.29 -0.64 0.05 0.71 0.01 0.00 0.00 175.29 175.71 2b7t s TYR 22 N 1.40 3.27 -0.03 0.91 1.51 -1.26 -0.70 117.35 122.45 2b7t s TYR 22 Ca -0.04 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 2b7t s TYR 22 Cb -0.19 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2b7t s TYR 22 CO -0.07 0.38 -0.07 1.41 -1.11 0.00 0.00 175.55 176.08 2b7t s MET 23 N -0.39 0.85 -0.29 -0.62 1.75 -0.01 -4.98 119.30 115.61 2b7t s MET 23 Ca 0.09 -0.25 -0.09 0.00 -1.25 0.00 0.00 55.69 54.19 2b7t s MET 23 Cb -0.12 -0.81 -0.02 0.00 2.84 0.00 0.00 34.83 36.73 2b7t s MET 23 CO 0.02 0.08 0.13 -1.17 -0.65 0.00 0.00 175.02 173.43 2b7t s LEU 24 N 0.28 3.93 -0.08 4.11 1.98 -1.26 -0.96 118.68 126.68 2b7t s LEU 24 Ca -0.04 -0.40 0.02 0.00 -2.89 0.00 0.00 54.13 50.82 2b7t s LEU 24 Cb -0.09 -1.99 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 2b7t s LEU 24 CO 0.00 -0.14 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.41 2b7t s LEU 25 N 1.62 2.68 0.18 -0.68 1.43 0.47 -4.93 118.68 119.45 2b7t s LEU 25 Ca 0.05 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2b7t s LEU 25 Cb -0.16 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 2b7t s LEU 25 CO 0.06 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.07 2b7t s SER 26 N -0.28 7.26 -0.14 2.29 1.04 -1.26 -1.86 113.70 120.76 2b7t s SER 26 Ca 0.02 2.10 -0.28 0.00 0.48 0.00 0.00 55.95 58.27 2b7t s SER 26 Cb -0.13 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.26 2b7t s SER 26 CO 0.03 -0.23 0.83 1.67 0.98 0.00 0.00 173.24 176.52 2b7t n GLN 27 N 2.35 0.00 0.00 4.02 -0.06 -1.26 -4.69 117.38 117.74 2b7t n GLN 27 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2b7t n GLN 27 Cb 0.46 -0.97 0.00 0.00 -4.06 0.00 0.00 30.24 25.67 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 1.64 0.00 0.00 1.69 5.66 -0.19 -4.99 114.28 118.09 2b7t n THR 28 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2b7t n THR 28 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.35 0.69 1.09 0.00 -1.26 -0.67 105.19 105.39 2b7t n GLY 29 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2b7t n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2b7t n PRO 30 N -1.47 0.59 0.00 1.61 -0.02 -1.12 -4.83 135.00 129.76 2b7t n PRO 30 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2b7t n PRO 30 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2b7t n PRO 30 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2b7t n VAL 31 N 0.39 0.00 0.56 -1.45 0.31 -1.26 -4.44 118.33 112.45 2b7t n VAL 31 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2b7t n VAL 31 Cb 0.21 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.18 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 -0.10 0.00 -3.80 3.52 1.44 -1.26 -4.90 115.22 110.13 2b7t n HIS 32 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2b7t n HIS 32 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b7t s ALA 33 N -1.22 -0.23 0.71 1.59 0.00 -1.26 -5.16 121.76 116.20 2b7t s ALA 33 Ca 0.14 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 2b7t s ALA 33 Cb 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2b7t s ALA 33 CO 0.20 -0.10 1.21 -2.14 0.00 0.00 0.00 175.76 174.93 2b7t s PRO 34 N 0.57 2.24 -0.12 0.00 0.02 -1.26 -2.81 135.00 133.64 2b7t s PRO 34 Ca -0.04 1.76 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 2b7t s PRO 34 Cb -0.06 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.67 2b7t s PRO 34 CO -0.02 -1.76 0.26 -1.17 -0.33 0.00 0.00 177.00 173.98 2b7t s LEU 35 N -5.04 0.15 0.06 -5.54 1.98 0.15 -4.28 118.68 106.17 2b7t s LEU 35 Ca 0.75 0.58 0.10 0.00 -2.89 0.00 0.00 54.13 52.66 2b7t s LEU 35 Cb -0.29 0.78 -0.03 0.00 0.66 0.00 0.00 46.19 47.30 2b7t s LEU 35 CO 0.44 -0.19 -0.26 -0.36 -1.89 0.00 0.00 176.35 174.09 2b7t s PHE 36 N 1.63 2.29 -0.05 5.38 0.40 -0.28 -1.02 117.98 126.33 2b7t s PHE 36 Ca -0.06 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2b7t s PHE 36 Cb -0.11 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 2b7t s PHE 36 CO -0.09 0.17 -0.23 0.14 0.70 0.00 0.00 175.22 175.91 2b7t s VAL 37 N -0.86 1.88 -0.10 -0.44 -7.23 -0.78 -1.26 120.40 111.62 2b7t s VAL 37 Ca 0.12 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2b7t s VAL 37 Cb -0.10 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2b7t s VAL 37 CO 0.03 0.53 -0.09 -0.04 -0.31 0.00 0.00 175.10 175.21 2b7t s MET 38 N -0.10 3.03 -0.26 4.82 -1.94 -0.31 -0.40 119.30 124.14 2b7t s MET 38 Ca -0.04 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.23 2b7t s MET 38 Cb -0.13 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 2b7t s MET 38 CO 0.03 0.47 0.18 -1.54 -0.01 0.00 0.00 175.02 174.16 2b7t s SER 39 N -0.30 6.06 -0.09 3.03 1.04 -0.13 -1.08 113.70 122.23 2b7t s SER 39 Ca 0.04 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.54 2b7t s SER 39 Cb -0.13 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 63.87 2b7t s SER 39 CO 0.03 -0.01 -0.20 0.54 0.98 0.00 0.00 173.24 174.58 2b7t s VAL 40 N 1.49 2.47 -0.19 5.02 0.11 0.13 -0.83 120.40 128.61 2b7t s VAL 40 Ca 0.07 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2b7t s VAL 40 Cb -0.15 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 2b7t s VAL 40 CO 0.08 0.55 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.71 2b7t s GLU 41 N 0.11 3.66 0.00 1.54 -6.30 0.12 -0.34 118.70 117.49 2b7t s GLU 41 Ca -0.10 -0.51 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 2b7t s GLU 41 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 30.91 2b7t s GLU 41 CO 0.06 0.08 0.00 1.55 0.02 0.00 0.00 175.26 176.97 2b7t n VAL 42 N 4.05 0.00 -0.59 3.70 3.14 -0.85 -1.86 118.33 125.92 2b7t n VAL 42 Ca -0.17 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2b7t n VAL 42 Cb 0.52 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.09 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 -1.19 0.00 0.00 6.55 5.15 -1.26 -4.97 115.26 119.53 2b7t n ASN 43 Ca 0.00 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 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 0.44 2.96 8.20 0.00 -1.26 -5.13 105.19 110.39 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 0.19 -0.10 1.61 0.00 -1.26 -5.16 119.66 114.93 2b7t s GLN 45 Ca 0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 55.36 55.11 2b7t s GLN 45 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 33.01 33.05 2b7t s GLN 45 CO 0.00 -0.03 0.04 0.14 0.00 0.00 0.00 175.29 175.44 2b7t s VAL 46 N -0.63 4.64 -0.17 3.63 -7.23 -1.26 -2.00 120.40 117.37 2b7t s VAL 46 Ca -0.07 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2b7t s VAL 46 Cb -0.04 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.92 2b7t s VAL 46 CO -0.00 0.59 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.85 2b7t s PHE 47 N -0.77 2.78 -0.18 2.82 0.40 0.54 -4.85 117.98 118.72 2b7t s PHE 47 Ca 0.12 -1.38 -0.07 0.00 -0.60 0.00 0.00 56.93 55.00 2b7t s PHE 47 Cb -0.12 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 2b7t s PHE 47 CO 0.03 -0.68 0.05 -1.21 0.70 0.00 0.00 175.22 174.11 2b7t s GLU 48 N 1.14 3.93 -0.02 0.44 2.02 -1.26 -0.69 118.70 124.26 2b7t s GLU 48 Ca 0.01 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.65 2b7t s GLU 48 Cb -0.14 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.90 2b7t s GLU 48 CO -0.07 0.24 -0.07 0.20 0.02 0.00 0.00 175.26 175.58 2b7t s GLY 49 N 0.45 0.41 -0.16 -1.39 0.00 -0.24 -4.71 107.32 101.68 2b7t s GLY 49 Ca 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 44.72 44.44 2b7t s GLY 49 CO 0.01 -0.04 0.04 -1.35 0.00 0.00 0.00 173.10 171.77 2b7t s SER 50 N 0.19 5.50 0.01 1.64 1.04 -1.26 -1.16 113.70 119.66 2b7t s SER 50 Ca -0.02 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2b7t s SER 50 Cb -0.07 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 2b7t s SER 50 CO 0.00 0.21 -0.02 -0.83 0.98 0.00 0.00 173.24 173.58 2b7t s GLY 51 N 0.16 0.17 0.00 7.32 0.00 -0.39 -4.55 107.32 110.03 2b7t s GLY 51 Ca 0.04 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.42 2b7t s GLY 51 CO 0.01 -0.43 0.71 -1.55 0.00 0.00 0.00 173.10 171.84 2b7t n PRO 52 N 2.13 0.23 -3.83 2.90 -0.04 -1.26 -1.12 135.00 134.01 2b7t n PRO 52 Ca -0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2b7t n PRO 52 Cb 0.57 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.05 0.44 0.52 -1.32 -1.26 -4.52 115.64 107.55 2b7t s THR 53 Ca 0.08 -0.41 0.18 0.00 -1.21 0.00 0.00 61.69 60.33 2b7t s THR 53 Cb 0.04 -0.42 0.38 0.00 -1.51 0.00 0.00 72.50 70.98 2b7t s THR 53 CO 0.06 -0.23 1.90 0.07 -2.21 0.00 0.00 174.62 174.22 2b7t h LYS 54 N 4.73 0.34 0.00 7.08 2.10 -1.89 -0.40 116.57 128.52 2b7t h LYS 54 Ca -0.29 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.25 2b7t h LYS 54 Cb 1.19 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2b7t h LYS 54 CO 0.39 0.22 -0.42 0.87 -2.00 0.00 0.00 179.45 178.52 2b7t h LYS 55 N 0.35 0.00 0.06 0.07 1.57 -1.97 -1.38 116.57 115.26 2b7t h LYS 55 Ca 0.40 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.91 2b7t h LYS 55 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2b7t h LYS 55 CO -0.12 0.42 -1.40 -0.22 -0.57 0.00 0.00 179.45 177.56 2b7t h LYS 56 N 0.00 0.13 0.64 3.15 3.64 -1.54 -2.96 116.57 119.64 2b7t h LYS 56 Ca -0.00 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2b7t h LYS 56 Cb 0.76 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2b7t h LYS 56 CO 0.05 0.97 -0.31 0.00 -2.27 0.00 0.00 179.45 177.90 2b7t h ALA 57 N 0.74 -0.86 -0.94 5.00 0.00 -0.93 -0.12 119.26 122.14 2b7t h ALA 57 Ca -0.18 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2b7t h ALA 57 Cb 1.94 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.99 2b7t h ALA 57 CO 0.14 -0.98 0.58 1.57 0.00 0.00 0.00 179.25 180.57 2b7t h LYS 58 N -0.88 0.97 -0.10 0.00 5.09 -1.42 -0.89 116.57 119.34 2b7t h LYS 58 Ca -0.09 -0.06 0.04 0.00 0.09 0.00 0.00 60.65 60.63 2b7t h LYS 58 Cb 0.67 -0.22 -0.05 0.00 0.10 0.00 0.00 32.23 32.74 2b7t h LYS 58 CO 0.15 0.64 -0.17 1.25 -2.09 0.00 0.00 179.45 179.22 2b7t h LEU 59 N 1.00 -0.54 -0.21 7.07 6.46 -1.37 -0.25 115.31 127.47 2b7t h LEU 59 Ca 0.44 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 58.33 2b7t h LEU 59 Cb 0.31 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 2b7t h LEU 59 CO -0.22 -0.23 -0.06 -0.74 -0.62 0.00 0.00 178.44 176.57 2b7t h HIS 60 N -0.24 -0.14 0.49 1.25 2.76 -0.47 0.97 115.15 119.77 2b7t h HIS 60 Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2b7t h HIS 60 Cb 0.36 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2b7t h HIS 60 CO -0.27 -0.11 -0.45 0.00 -1.30 0.00 0.00 177.93 175.80 2b7t h ALA 61 N 1.19 -1.13 -0.80 5.26 0.00 -1.02 -2.06 119.26 120.70 2b7t h ALA 61 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b7t h ALA 61 Cb 0.18 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2b7t h ALA 61 CO -0.23 -1.15 0.36 0.00 0.00 0.00 0.00 179.25 178.23 2b7t h ALA 62 N -1.05 1.04 0.40 0.00 0.00 -0.97 0.22 119.26 118.90 2b7t h ALA 62 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2b7t h ALA 62 Cb 0.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2b7t h ALA 62 CO -0.03 0.62 -0.39 1.49 0.00 0.00 0.00 179.25 180.94 2b7t h GLU 63 N 1.15 -0.76 -0.91 0.00 4.22 -0.82 -1.99 114.58 115.46 2b7t h GLU 63 Ca 0.27 0.05 0.09 0.00 0.08 0.00 0.00 59.36 59.86 2b7t h GLU 63 Cb 0.16 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2b7t h GLU 63 CO -0.03 -0.51 0.56 -0.22 -2.18 0.00 0.00 179.01 176.63 2b7t h LYS 64 N -0.79 0.91 0.46 1.92 3.64 -1.29 -0.74 116.57 120.69 2b7t h LYS 64 Ca -0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2b7t h LYS 64 Cb 0.68 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2b7t h LYS 64 CO -0.04 0.60 -0.46 0.00 -2.27 0.00 0.00 179.45 177.28 2b7t h ALA 65 N 1.47 -1.03 -0.37 5.00 0.00 -0.15 0.31 119.26 124.49 2b7t h ALA 65 Ca 0.43 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2b7t h ALA 65 Cb 0.34 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2b7t h ALA 65 CO -0.23 -1.12 0.01 -0.07 0.00 0.00 0.00 179.25 177.84 2b7t h LEU 66 N -0.93 0.64 -0.02 0.00 -0.00 -1.36 -1.65 115.31 111.97 2b7t h LEU 66 Ca -0.05 -0.30 0.03 0.00 -0.00 0.00 0.00 57.88 57.56 2b7t h LEU 66 Cb 0.82 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.27 2b7t h LEU 66 CO -0.06 0.78 -0.18 -0.09 -0.00 0.00 0.00 178.44 178.89 2b7t h ARG 67 N 0.47 -0.27 -0.19 1.13 1.12 -0.89 0.13 114.38 115.88 2b7t h ARG 67 Ca 0.11 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.04 2b7t h ARG 67 Cb 0.45 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 2b7t h ARG 67 CO 0.02 -0.18 -0.08 1.03 -3.11 0.00 0.00 179.97 177.65 2b7t h SER 68 N -0.28 -0.26 -0.21 -3.80 0.87 -0.44 -0.12 113.55 109.31 2b7t h SER 68 Ca 0.06 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2b7t h SER 68 Cb 0.37 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2b7t h SER 68 CO -0.18 -0.10 0.13 0.15 -0.53 0.00 0.00 176.83 176.29 2b7t h PHE 69 N -0.04 0.28 0.06 2.24 3.57 -1.00 -1.09 116.94 120.95 2b7t h PHE 69 Ca 0.10 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.29 2b7t h PHE 69 Cb 0.20 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2b7t h PHE 69 CO -0.24 0.19 -1.73 0.28 -2.23 0.00 0.00 178.31 174.58 2b7t h VAL 70 N 0.30 0.87 0.00 1.41 2.07 -0.44 -3.45 116.25 117.01 2b7t h VAL 70 Ca 0.08 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2b7t h VAL 70 Cb -0.01 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2b7t h VAL 70 CO -0.01 0.70 -0.07 1.67 0.02 0.00 0.00 177.57 179.88 2b7t n GLN 71 N -3.27 0.16 -1.22 1.57 7.27 -0.08 -5.09 117.38 116.72 2b7t n GLN 71 Ca -0.21 0.00 0.12 0.00 0.07 0.00 0.00 57.00 56.98 2b7t n GLN 71 Cb 1.04 -0.53 -0.07 0.00 2.41 0.00 0.00 30.24 33.10 2b7t n GLN 71 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 2b7t n PHE 72 N -0.97 -2.85 0.62 3.69 1.16 -0.42 -5.00 117.46 113.68 2b7t n PHE 72 Ca 0.00 1.58 0.05 0.00 -1.87 0.00 0.00 57.45 57.21 2b7t n PHE 72 Cb 0.03 -2.58 0.29 0.00 -1.61 0.00 0.00 39.48 35.62 2b7t n PHE 72 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54