#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 -1.89 3.44 -1.23 0.00 -1.26 -5.17 105.19 99.08 2b7t n GLY 2 Ca 0.00 1.06 -0.44 0.00 0.00 0.00 0.00 46.02 46.65 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 1.37 0.48 0.10 1.61 -0.02 -1.26 -4.95 135.00 132.34 2b7t n PRO 3 Ca -0.00 0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 2b7t n PRO 3 Cb 0.72 -1.37 0.08 0.00 -0.02 0.00 0.00 33.50 32.91 2b7t n PRO 3 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2b7t h VAL 4 N 0.97 1.48 -3.43 -1.45 3.04 -2.04 -3.41 116.25 111.40 2b7t h VAL 4 Ca -0.37 -2.37 -0.66 0.00 -1.01 0.00 0.00 66.70 62.30 2b7t h VAL 4 Cb 1.41 2.27 -0.27 0.00 -2.01 0.00 0.00 31.29 32.69 2b7t h VAL 4 CO 0.54 0.68 -0.71 -0.76 -1.01 0.00 0.00 177.57 176.31 2b7t s LEU 5 N -7.53 2.99 0.00 3.16 2.01 -1.26 -5.03 118.68 113.02 2b7t s LEU 5 Ca -0.02 -0.40 0.19 0.00 0.01 0.00 0.00 54.13 53.91 2b7t s LEU 5 Cb 0.12 -1.76 0.82 0.00 0.01 0.00 0.00 46.19 45.38 2b7t s LEU 5 CO 0.79 -0.03 1.60 -0.81 1.01 0.00 0.00 176.35 178.91 2b7t n PRO 6 N 4.81 0.04 -0.18 1.29 -0.04 -1.26 -4.11 135.00 135.54 2b7t n PRO 6 Ca -0.18 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 2b7t n PRO 6 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2b7t n PRO 6 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2b7t h LYS 7 N 0.00 -0.27 -0.23 0.54 3.64 -1.96 -1.84 116.57 116.45 2b7t h LYS 7 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2b7t h LYS 7 Cb 0.30 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2b7t h LYS 7 CO 0.00 -0.18 0.07 -0.91 -2.27 0.00 0.00 179.45 176.16 2b7t h ASN 8 N -0.28 0.07 0.47 4.20 2.35 -1.99 0.14 115.58 120.54 2b7t h ASN 8 Ca 0.14 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2b7t h ASN 8 Cb 0.57 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2b7t h ASN 8 CO -0.66 0.07 -0.37 0.00 -1.65 0.00 0.00 177.43 174.83 2b7t h ALA 9 N 1.15 -0.86 -0.11 -0.83 0.00 -1.83 -1.72 119.26 115.07 2b7t h ALA 9 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b7t h ALA 9 Cb 0.07 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2b7t h ALA 9 CO -0.11 -1.01 0.07 -0.07 0.00 0.00 0.00 179.25 178.13 2b7t h LEU 10 N -0.83 0.13 -0.91 0.00 -0.00 -0.87 -1.33 115.31 111.50 2b7t h LEU 10 Ca -0.05 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.91 2b7t h LEU 10 Cb 0.71 -0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.27 2b7t h LEU 10 CO 0.00 0.09 0.56 0.00 -0.00 0.00 0.00 178.44 179.09 2b7t h MET 11 N 0.15 0.94 0.16 1.13 -0.00 -0.83 0.19 114.93 116.67 2b7t h MET 11 Ca 0.04 -0.06 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2b7t h MET 11 Cb -0.01 -0.21 -0.05 0.00 -0.00 0.00 0.00 31.60 31.33 2b7t h MET 11 CO -0.01 0.62 -0.52 0.37 -0.00 0.00 0.00 176.91 177.37 2b7t h GLN 12 N 0.96 -0.75 -0.07 -0.10 4.15 -0.30 -0.96 115.11 118.04 2b7t h GLN 12 Ca 0.42 0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.76 2b7t h GLN 12 Cb 0.30 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2b7t h GLN 12 CO -0.22 -0.50 -0.56 1.37 -1.93 0.00 0.00 178.83 177.00 2b7t h LEU 13 N -0.78 0.24 -0.56 -2.39 -0.00 -1.17 -2.01 115.31 108.65 2b7t h LEU 13 Ca -0.01 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.77 2b7t h LEU 13 Cb 0.77 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.32 2b7t h LEU 13 CO -0.27 0.75 0.33 -1.13 -0.00 0.00 0.00 178.44 178.13 2b7t h ASN 14 N 0.17 0.53 0.20 0.17 -0.73 -0.46 0.23 115.58 115.69 2b7t h ASN 14 Ca -0.00 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.19 2b7t h ASN 14 Cb 1.03 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.49 2b7t h ASN 14 CO 0.08 0.37 -0.29 -0.33 -0.37 0.00 0.00 177.43 176.89 2b7t h GLU 15 N 0.66 -0.54 -0.78 6.67 5.08 -1.07 -1.15 114.58 123.44 2b7t h GLU 15 Ca 0.23 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2b7t h GLU 15 Cb 0.04 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2b7t h GLU 15 CO -0.11 -0.36 0.49 0.82 -1.00 0.00 0.00 179.01 178.85 2b7t h ILE 16 N -0.56 1.09 -2.08 3.13 2.04 -0.85 -3.39 117.51 116.89 2b7t h ILE 16 Ca 0.01 -0.32 -0.39 0.00 1.00 0.00 0.00 64.86 65.16 2b7t h ILE 16 Cb 0.55 0.07 -0.33 0.00 -0.74 0.00 0.00 36.82 36.37 2b7t h ILE 16 CO -0.12 0.17 -0.70 -0.54 0.00 0.00 0.00 178.15 176.96 2b7t s LYS 17 N -6.10 0.56 -0.44 2.37 -0.14 0.78 -5.06 119.74 111.72 2b7t s LYS 17 Ca -0.13 -0.79 -0.06 0.00 -1.36 0.00 0.00 55.97 53.63 2b7t s LYS 17 Cb 0.17 -0.79 -0.19 0.00 -1.68 0.00 0.00 37.83 35.34 2b7t s LYS 17 CO 0.78 -1.17 3.06 -0.35 -0.76 0.00 0.00 175.35 176.92 2b7t n PRO 18 N 4.42 2.20 -2.65 -1.68 -0.04 -0.44 -4.02 135.00 132.79 2b7t n PRO 18 Ca 0.09 -1.21 -0.04 0.00 -0.04 0.00 0.00 63.50 62.29 2b7t n PRO 18 Cb 0.44 -2.17 -0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.90 -0.52 3.91 0.55 0.00 -1.26 -5.11 105.19 105.65 2b7t n GLY 19 Ca 0.47 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.27 4.20 -0.23 0.99 1.02 -1.26 -4.84 118.68 116.29 2b7t s LEU 20 Ca 0.05 0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.75 2b7t s LEU 20 Cb 0.09 -3.31 0.06 0.00 0.02 0.00 0.00 46.19 43.06 2b7t s LEU 20 CO -0.02 -0.04 -0.05 -1.10 0.02 0.00 0.00 176.35 175.16 2b7t s GLN 21 N -3.12 1.53 -0.13 1.70 1.11 -0.76 -4.92 119.66 115.06 2b7t s GLN 21 Ca 0.41 -0.93 -0.05 0.00 0.01 0.00 0.00 55.36 54.80 2b7t s GLN 21 Cb -0.11 -2.54 -0.04 0.00 -1.01 0.00 0.00 33.01 29.31 2b7t s GLN 21 CO 0.27 -0.60 0.05 0.71 0.01 0.00 0.00 175.29 175.73 2b7t s TYR 22 N 1.44 3.27 -0.02 0.91 1.51 -1.26 -0.59 117.35 122.62 2b7t s TYR 22 Ca -0.05 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2b7t s TYR 22 Cb -0.19 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2b7t s TYR 22 CO -0.06 0.37 -0.06 1.41 -1.11 0.00 0.00 175.55 176.10 2b7t s MET 23 N -0.36 0.69 -0.27 -0.62 1.75 -0.08 -4.98 119.30 115.42 2b7t s MET 23 Ca 0.09 -0.19 -0.09 0.00 -1.25 0.00 0.00 55.69 54.25 2b7t s MET 23 Cb -0.12 -0.68 -0.03 0.00 2.84 0.00 0.00 34.83 36.84 2b7t s MET 23 CO 0.02 0.05 0.12 -1.17 -0.65 0.00 0.00 175.02 173.39 2b7t s LEU 24 N 0.30 3.72 0.13 4.11 1.98 -1.26 -0.68 118.68 126.97 2b7t s LEU 24 Ca -0.04 -0.22 0.10 0.00 -2.89 0.00 0.00 54.13 51.09 2b7t s LEU 24 Cb -0.08 -1.99 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 2b7t s LEU 24 CO -0.00 -0.07 -0.24 -0.76 -1.89 0.00 0.00 176.35 173.39 2b7t s LEU 25 N 1.65 2.33 0.18 -0.68 1.43 0.48 -4.98 118.68 119.10 2b7t s LEU 25 Ca 0.06 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 2b7t s LEU 25 Cb -0.16 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 2b7t s LEU 25 CO 0.06 0.12 1.16 -0.94 0.23 0.00 0.00 176.35 176.98 2b7t s SER 26 N -2.10 7.15 0.23 2.29 1.04 -1.26 -1.95 113.70 119.10 2b7t s SER 26 Ca 0.12 2.18 -0.32 0.00 0.48 0.00 0.00 55.95 58.41 2b7t s SER 26 Cb -0.10 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.29 2b7t s SER 26 CO 0.06 -0.32 1.54 1.67 0.98 0.00 0.00 173.24 177.17 2b7t n GLN 27 N 2.47 2.32 0.00 4.02 0.00 -1.26 -4.58 117.38 120.35 2b7t n GLN 27 Ca 0.04 0.83 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 2b7t n GLN 27 Cb 0.45 -2.57 0.00 0.00 0.00 0.00 0.00 30.24 28.12 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2b7t n THR 28 N 2.62 0.00 0.00 1.69 5.66 0.15 -4.99 114.28 119.40 2b7t n THR 28 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2b7t n THR 28 Cb 0.32 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 1.51 3.82 1.09 0.00 -1.26 -0.51 105.19 109.84 2b7t n GLY 29 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 0.99 -0.58 1.61 0.04 -1.18 -4.92 135.00 128.96 2b7t s PRO 30 Ca 0.00 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 2b7t s PRO 30 Cb 0.00 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.54 2b7t s PRO 30 CO 0.00 -2.26 2.93 0.28 0.04 0.00 0.00 177.00 177.99 2b7t n VAL 31 N -3.77 2.99 -0.10 -0.36 0.31 -1.26 -2.47 118.33 113.67 2b7t n VAL 31 Ca 0.09 -1.64 0.00 0.00 -0.01 0.00 0.00 64.34 62.78 2b7t n VAL 31 Cb 0.60 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 3.10 0.00 -3.84 3.52 -0.00 -1.26 -5.18 115.22 111.56 2b7t n HIS 32 Ca 0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 58.11 2b7t n HIS 32 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2b7t s ALA 33 N 0.00 -0.51 0.74 1.59 0.00 -1.03 -5.16 121.76 117.39 2b7t s ALA 33 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2b7t s ALA 33 Cb 0.00 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.01 2b7t s ALA 33 CO 0.00 -0.73 1.08 -2.14 0.00 0.00 0.00 175.76 173.96 2b7t s PRO 34 N -3.92 2.56 -0.13 0.00 0.02 -1.26 -3.09 135.00 129.18 2b7t s PRO 34 Ca 0.13 0.74 -0.07 0.00 0.02 0.00 0.00 61.00 61.83 2b7t s PRO 34 Cb 0.01 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.62 2b7t s PRO 34 CO -0.01 -1.31 0.31 -1.17 -0.33 0.00 0.00 177.00 174.48 2b7t s LEU 35 N -5.62 0.18 0.05 -5.54 1.98 0.33 -4.32 118.68 105.74 2b7t s LEU 35 Ca 0.59 0.67 0.08 0.00 -2.89 0.00 0.00 54.13 52.58 2b7t s LEU 35 Cb -0.14 0.96 -0.03 0.00 0.66 0.00 0.00 46.19 47.64 2b7t s LEU 35 CO 0.54 -0.18 -0.23 -0.36 -1.89 0.00 0.00 176.35 174.23 2b7t s PHE 36 N 1.39 2.42 -0.06 5.38 0.40 -0.08 -0.68 117.98 126.76 2b7t s PHE 36 Ca -0.09 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 2b7t s PHE 36 Cb -0.10 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 2b7t s PHE 36 CO -0.10 0.19 -0.25 0.14 0.70 0.00 0.00 175.22 175.90 2b7t s VAL 37 N -0.87 2.04 -0.11 -0.44 -7.23 -0.82 -1.23 120.40 111.74 2b7t s VAL 37 Ca 0.13 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2b7t s VAL 37 Cb -0.10 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 2b7t s VAL 37 CO 0.04 0.56 -0.06 -0.04 -0.31 0.00 0.00 175.10 175.29 2b7t s MET 38 N -0.09 3.14 -0.28 4.82 -1.94 -0.30 -0.39 119.30 124.26 2b7t s MET 38 Ca -0.06 -0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 53.23 2b7t s MET 38 Cb -0.14 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 2b7t s MET 38 CO 0.04 0.47 0.33 -1.54 -0.01 0.00 0.00 175.02 174.31 2b7t s SER 39 N -0.28 6.19 -0.12 3.03 1.04 0.14 -1.02 113.70 122.68 2b7t s SER 39 Ca 0.04 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.64 2b7t s SER 39 Cb -0.13 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2b7t s SER 39 CO 0.02 -0.17 -0.15 0.54 0.98 0.00 0.00 173.24 174.46 2b7t s VAL 40 N 1.99 2.86 -0.21 5.02 0.11 0.20 -0.90 120.40 129.47 2b7t s VAL 40 Ca 0.13 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2b7t s VAL 40 Cb -0.16 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.48 2b7t s VAL 40 CO 0.10 0.53 0.05 -0.70 -3.33 0.00 0.00 175.10 171.76 2b7t s GLU 41 N 0.33 3.78 -0.00 1.54 -6.30 0.24 -0.36 118.70 117.93 2b7t s GLU 41 Ca -0.12 -0.43 0.00 0.00 -2.50 0.00 0.00 54.97 51.92 2b7t s GLU 41 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 34.13 30.75 2b7t s GLU 41 CO 0.06 0.06 0.01 1.55 0.02 0.00 0.00 175.26 176.97 2b7t n VAL 42 N 4.16 0.00 -0.67 3.70 3.14 -0.85 -1.83 118.33 125.98 2b7t n VAL 42 Ca -0.16 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 2b7t n VAL 42 Cb 0.52 0.84 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 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 -1.17 0.00 0.00 6.55 5.15 -1.26 -4.97 115.26 119.56 2b7t n ASN 43 Ca 0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 2b7t n ASN 43 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 0.88 3.01 8.20 0.00 -1.26 -5.13 105.19 110.89 2b7t n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.48 -0.12 1.61 0.00 -1.26 -5.15 119.66 115.22 2b7t s GLN 45 Ca 0.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 55.36 54.86 2b7t s GLN 45 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 33.01 32.62 2b7t s GLN 45 CO 0.00 0.08 0.00 0.14 0.00 0.00 0.00 175.29 175.51 2b7t s VAL 46 N -0.74 4.27 -0.20 3.63 -7.23 -1.26 -2.00 120.40 116.87 2b7t s VAL 46 Ca -0.04 -0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.86 2b7t s VAL 46 Cb -0.06 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2b7t s VAL 46 CO 0.00 0.55 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.90 2b7t s PHE 47 N -0.34 2.91 -0.21 2.82 0.40 0.52 -4.83 117.98 119.24 2b7t s PHE 47 Ca 0.07 -0.96 -0.08 0.00 -0.60 0.00 0.00 56.93 55.35 2b7t s PHE 47 Cb -0.12 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2b7t s PHE 47 CO 0.02 -0.51 0.09 -1.21 0.70 0.00 0.00 175.22 174.31 2b7t s GLU 48 N 1.21 3.93 -0.01 0.44 2.02 -1.26 -0.63 118.70 124.40 2b7t s GLU 48 Ca 0.02 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.67 2b7t s GLU 48 Cb -0.14 -3.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 2b7t s GLU 48 CO -0.03 0.12 -0.06 0.20 0.02 0.00 0.00 175.26 175.52 2b7t s GLY 49 N 0.80 0.32 -0.17 -1.39 0.00 -0.19 -4.80 107.32 101.90 2b7t s GLY 49 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 2b7t s GLY 49 CO 0.02 -0.13 -0.00 -1.35 0.00 0.00 0.00 173.10 171.64 2b7t s SER 50 N 0.00 5.08 0.03 1.64 1.04 -1.26 -1.15 113.70 119.08 2b7t s SER 50 Ca 0.00 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2b7t s SER 50 Cb -0.04 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.21 2b7t s SER 50 CO -0.00 0.16 -0.07 -0.83 0.98 0.00 0.00 173.24 173.48 2b7t s GLY 51 N 0.40 0.44 0.00 7.32 0.00 -0.37 -4.51 107.32 110.61 2b7t s GLY 51 Ca -0.01 -0.63 0.08 0.00 0.00 0.00 0.00 44.72 44.15 2b7t s GLY 51 CO 0.02 -0.66 1.04 -1.55 0.00 0.00 0.00 173.10 171.95 2b7t n PRO 52 N 1.84 0.15 -3.94 2.90 -0.04 -1.26 -0.90 135.00 133.76 2b7t n PRO 52 Ca -0.20 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 2b7t n PRO 52 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.39 0.07 0.41 0.52 -1.32 -1.26 -4.53 115.64 107.14 2b7t s THR 53 Ca 0.08 -0.57 0.16 0.00 -1.21 0.00 0.00 61.69 60.16 2b7t s THR 53 Cb 0.05 -0.18 0.37 0.00 -1.51 0.00 0.00 72.50 71.23 2b7t s THR 53 CO 0.11 -0.31 1.85 0.07 -2.21 0.00 0.00 174.62 174.12 2b7t h LYS 54 N 5.17 0.43 0.00 7.08 2.10 -1.89 -0.38 116.57 129.08 2b7t h LYS 54 Ca -0.29 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2b7t h LYS 54 Cb 1.21 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2b7t h LYS 54 CO 0.44 0.28 0.00 0.87 -2.00 0.00 0.00 179.45 179.05 2b7t h LYS 55 N 0.44 0.00 0.00 0.07 1.57 -1.97 -2.27 116.57 114.41 2b7t h LYS 55 Ca 0.47 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.03 2b7t h LYS 55 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 2b7t h LYS 55 CO -0.19 0.00 -1.98 1.17 -0.57 0.00 0.00 179.45 177.88 2b7t n LYS 56 N -2.98 1.27 0.19 3.15 4.81 -0.27 -3.85 118.16 120.49 2b7t n LYS 56 Ca -0.01 -0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.25 2b7t n LYS 56 Cb 0.19 -1.39 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 2b7t n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b7t h ALA 57 N 0.93 -0.55 -0.99 3.14 0.00 -1.06 -0.65 119.26 120.07 2b7t h ALA 57 Ca -0.32 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.59 2b7t h ALA 57 Cb 1.68 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 2b7t h ALA 57 CO 0.02 -0.83 0.63 1.57 0.00 0.00 0.00 179.25 180.63 2b7t h LYS 58 N -0.56 1.03 0.43 0.00 5.09 -1.63 -0.68 116.57 120.26 2b7t h LYS 58 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 60.65 60.65 2b7t h LYS 58 Cb 0.50 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 32.57 2b7t h LYS 58 CO -0.03 0.68 -0.43 1.25 -2.09 0.00 0.00 179.45 178.84 2b7t h LEU 59 N 1.06 -1.17 -0.47 7.07 6.46 -1.60 -0.70 115.31 125.96 2b7t h LEU 59 Ca 0.47 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 58.38 2b7t h LEU 59 Cb 0.35 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 2b7t h LEU 59 CO -0.23 -0.58 0.16 0.45 -0.62 0.00 0.00 178.44 177.62 2b7t h HIS 60 N -0.87 0.29 0.46 1.25 3.86 -0.77 0.14 115.15 119.51 2b7t h HIS 60 Ca -0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2b7t h HIS 60 Cb 0.77 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2b7t h HIS 60 CO -0.23 0.09 -0.45 0.00 0.86 0.00 0.00 177.93 178.21 2b7t h ALA 61 N 1.31 -1.12 -0.55 2.45 0.00 -1.06 -1.80 119.26 118.49 2b7t h ALA 61 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b7t h ALA 61 Cb 0.23 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2b7t h ALA 61 CO -0.23 -1.14 0.29 0.00 0.00 0.00 0.00 179.25 178.17 2b7t h ALA 62 N -1.03 0.71 0.11 0.00 0.00 -0.94 0.25 119.26 118.36 2b7t h ALA 62 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2b7t h ALA 62 Cb 0.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b7t h ALA 62 CO -0.04 0.25 -0.25 1.49 0.00 0.00 0.00 179.25 180.69 2b7t h GLU 63 N 0.75 -0.38 -0.65 0.00 4.81 -0.75 -1.94 114.58 116.43 2b7t h GLU 63 Ca 0.19 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2b7t h GLU 63 Cb 0.07 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2b7t h GLU 63 CO -0.03 -0.25 0.43 -0.22 -0.73 0.00 0.00 179.01 178.21 2b7t h LYS 64 N -0.39 0.84 0.22 1.92 3.64 -1.31 -0.80 116.57 120.69 2b7t h LYS 64 Ca -0.01 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2b7t h LYS 64 Cb 0.37 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2b7t h LYS 64 CO -0.11 0.55 -0.36 0.00 -2.27 0.00 0.00 179.45 177.27 2b7t h ALA 65 N 1.60 -0.68 -0.56 5.00 0.00 -0.16 0.25 119.26 124.71 2b7t h ALA 65 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2b7t h ALA 65 Cb -0.08 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2b7t h ALA 65 CO -0.05 -0.93 0.01 -0.07 0.00 0.00 0.00 179.25 178.20 2b7t h LEU 66 N -0.65 0.93 0.33 0.00 -0.00 -1.32 -1.38 115.31 113.23 2b7t h LEU 66 Ca 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2b7t h LEU 66 Cb 0.63 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 2b7t h LEU 66 CO -0.15 0.99 -0.39 -0.09 -0.00 0.00 0.00 178.44 178.80 2b7t h ARG 67 N 0.89 -0.73 -0.21 1.13 2.43 -0.43 0.63 114.38 118.09 2b7t h ARG 67 Ca 0.16 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2b7t h ARG 67 Cb 0.51 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2b7t h ARG 67 CO 0.02 -0.49 -0.01 1.03 -1.51 0.00 0.00 179.97 179.02 2b7t h SER 68 N -0.76 -0.10 -0.61 -3.80 0.87 -0.60 -3.21 113.55 105.34 2b7t h SER 68 Ca -0.02 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2b7t h SER 68 Cb 0.70 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 2b7t h SER 68 CO -0.10 -0.02 0.38 0.15 -0.53 0.00 0.00 176.83 176.71 2b7t h PHE 69 N 0.06 0.78 -3.00 2.24 3.57 -1.09 -3.43 116.94 116.07 2b7t h PHE 69 Ca 0.10 0.01 -0.52 0.00 3.53 0.00 0.00 57.97 61.08 2b7t h PHE 69 Cb 0.13 -0.26 0.06 0.00 2.79 0.00 0.00 35.95 38.67 2b7t h PHE 69 CO -0.19 0.52 0.90 0.08 -2.23 0.00 0.00 178.31 177.39 2b7t s VAL 70 N -6.06 2.31 -0.01 1.41 1.01 0.20 -4.91 120.40 114.35 2b7t s VAL 70 Ca -0.13 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2b7t s VAL 70 Cb 0.13 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2b7t s VAL 70 CO 0.76 0.03 0.74 0.00 0.00 0.00 0.00 175.10 176.62 2b7t n GLN 71 N 3.24 0.89 -3.35 2.72 1.13 -1.26 -4.95 117.38 115.80 2b7t n GLN 71 Ca 0.12 -0.96 -0.10 0.00 -1.94 0.00 0.00 57.00 54.12 2b7t n GLN 71 Cb 0.37 -0.70 0.00 0.00 0.11 0.00 0.00 30.24 30.03 2b7t n GLN 71 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2b7t n PHE 72 N -0.22 -2.62 1.26 1.08 3.72 -1.26 -5.28 117.46 114.13 2b7t n PHE 72 Ca 0.01 1.02 0.10 0.00 -0.05 0.00 0.00 57.45 58.53 2b7t n PHE 72 Cb 0.47 -3.58 0.60 0.00 -0.94 0.00 0.00 39.48 36.02 2b7t n PHE 72 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36