#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7t s GLY 2 N 0.00 -0.90 0.32 -1.23 0.00 -1.26 -3.73 107.32 100.51 2b7t s GLY 2 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.31 2b7t s GLY 2 CO 0.00 3.42 1.81 -2.55 0.00 0.00 0.00 173.10 175.78 2b7t h PRO 3 N 5.90 0.75 0.00 2.90 0.11 -1.98 -3.38 132.00 136.29 2b7t h PRO 3 Ca 0.08 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.59 2b7t h PRO 3 Cb 1.11 -0.17 -0.12 0.00 0.11 0.00 0.00 31.00 31.93 2b7t h PRO 3 CO 0.09 0.49 -0.44 1.33 -0.21 0.00 0.00 178.00 179.27 2b7t n VAL 4 N -4.67 0.00 -0.25 3.15 0.24 -1.26 -4.98 118.33 110.56 2b7t n VAL 4 Ca 0.21 -2.22 0.15 0.00 -2.04 0.00 0.00 64.34 60.44 2b7t n VAL 4 Cb 0.52 0.67 0.29 0.00 -1.47 0.00 0.00 33.84 33.86 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2b7t n LEU 5 N 0.00 0.03 0.00 1.34 0.00 -1.26 -0.33 117.00 116.77 2b7t n LEU 5 Ca -0.10 1.24 0.00 0.00 0.00 0.00 0.00 56.01 57.15 2b7t n LEU 5 Cb 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 43.42 43.50 2b7t n LEU 5 CO 0.31 -1.30 0.38 -2.65 0.00 0.00 0.00 177.39 174.13 2b7t n PRO 6 N -4.90 0.00 0.00 1.96 -0.02 -1.26 -4.51 135.00 126.27 2b7t n PRO 6 Ca 0.21 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2b7t n PRO 6 Cb 0.69 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 -1.21 0.00 0.31 -0.52 4.81 0.55 -1.70 118.16 120.39 2b7t n LYS 7 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2b7t n LYS 7 Cb 0.05 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.02 2b7t n LYS 7 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2b7t h ASN 8 N 0.00 -1.08 0.34 3.14 -1.24 -1.88 0.18 115.58 115.04 2b7t h ASN 8 Ca 0.00 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 2b7t h ASN 8 Cb 0.00 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2b7t h ASN 8 CO 0.00 -0.60 -0.32 0.00 -1.29 0.00 0.00 177.43 175.22 2b7t h ALA 9 N -0.63 -0.69 -0.39 1.57 0.00 -1.91 -1.98 119.26 115.23 2b7t h ALA 9 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2b7t h ALA 9 Cb 0.78 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2b7t h ALA 9 CO 0.01 -0.92 0.22 -0.07 0.00 0.00 0.00 179.25 178.48 2b7t h LEU 10 N -0.68 0.48 -0.28 0.00 -0.00 -0.94 -0.67 115.31 113.22 2b7t h LEU 10 Ca -0.02 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2b7t h LEU 10 Cb 0.61 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 2b7t h LEU 10 CO -0.05 0.43 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 2b7t h MET 11 N 0.50 0.08 0.10 1.13 -0.00 -0.74 -0.94 114.93 115.06 2b7t h MET 11 Ca 0.14 -0.01 0.02 0.00 -0.00 0.00 0.00 59.70 59.85 2b7t h MET 11 Cb 0.05 -0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 31.58 2b7t h MET 11 CO -0.02 0.06 -0.48 0.37 -0.00 0.00 0.00 176.91 176.83 2b7t h GLN 12 N 0.09 -0.67 0.00 -0.10 4.15 -0.35 0.66 115.11 118.89 2b7t h GLN 12 Ca 0.13 0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.42 2b7t h GLN 12 Cb 0.17 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2b7t h GLN 12 CO -0.22 -0.45 -0.83 1.37 -1.93 0.00 0.00 178.83 176.77 2b7t h LEU 13 N -0.70 0.10 -0.59 -2.39 -0.00 -1.36 -1.72 115.31 108.66 2b7t h LEU 13 Ca 0.01 -0.08 0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2b7t h LEU 13 Cb 0.72 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 2b7t h LEU 13 CO -0.28 0.88 0.26 -1.13 -0.00 0.00 0.00 178.44 178.17 2b7t h ASN 14 N 0.04 0.33 0.27 0.17 -0.00 -1.04 0.72 115.58 116.07 2b7t h ASN 14 Ca -0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.32 2b7t h ASN 14 Cb 1.45 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.77 2b7t h ASN 14 CO 0.12 0.21 -0.19 -0.33 -0.00 0.00 0.00 177.43 177.23 2b7t h GLU 15 N 0.48 -0.43 -0.64 6.67 3.07 -0.63 -2.51 114.58 120.59 2b7t h GLU 15 Ca 0.28 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 2b7t h GLU 15 Cb 0.27 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2b7t h GLU 15 CO -0.24 -0.28 0.29 0.82 -1.40 0.00 0.00 179.01 178.20 2b7t h ILE 16 N -0.44 1.21 -2.22 3.13 2.04 -1.31 -3.38 117.51 116.54 2b7t h ILE 16 Ca -0.04 -0.61 -0.58 0.00 1.00 0.00 0.00 64.86 64.63 2b7t h ILE 16 Cb 0.36 0.41 -0.38 0.00 -0.74 0.00 0.00 36.82 36.47 2b7t h ILE 16 CO 0.02 0.25 -1.03 0.29 0.00 0.00 0.00 178.15 177.68 2b7t n LYS 17 N -4.34 0.40 -0.88 2.37 4.76 0.24 -5.06 118.16 115.66 2b7t n LYS 17 Ca 0.06 -3.20 -0.18 0.00 -2.87 0.00 0.00 58.31 52.12 2b7t n LYS 17 Cb 0.14 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 2b7t n LYS 17 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2b7t n PRO 18 N 2.27 2.12 -0.64 1.97 -0.04 -0.95 -3.71 135.00 136.01 2b7t n PRO 18 Ca 0.26 -1.22 -0.03 0.00 -0.04 0.00 0.00 63.50 62.48 2b7t n PRO 18 Cb 0.50 -2.20 -0.03 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 3.07 0.66 3.78 0.55 0.00 -1.26 -5.10 105.19 106.89 2b7t n GLY 19 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.26 -0.22 0.99 1.02 -1.24 -4.92 118.68 117.57 2b7t s LEU 20 Ca 0.00 1.88 -0.02 0.00 0.02 0.00 0.00 54.13 56.01 2b7t s LEU 20 Cb 0.00 -4.53 0.07 0.00 0.02 0.00 0.00 46.19 41.74 2b7t s LEU 20 CO 0.00 -1.69 0.03 -1.10 0.02 0.00 0.00 176.35 173.62 2b7t s GLN 21 N -4.46 0.80 -0.14 1.70 -0.21 -0.74 -4.93 119.66 111.69 2b7t s GLN 21 Ca 0.64 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 55.37 2b7t s GLN 21 Cb -0.18 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 2b7t s GLN 21 CO 0.47 -0.69 0.05 0.71 -2.12 0.00 0.00 175.29 173.72 2b7t s TYR 22 N 1.76 3.29 -0.02 0.91 1.51 -1.26 -0.62 117.35 122.92 2b7t s TYR 22 Ca -0.00 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2b7t s TYR 22 Cb -0.17 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2b7t s TYR 22 CO -0.10 0.37 -0.05 1.41 -1.11 0.00 0.00 175.55 176.06 2b7t s MET 23 N -0.33 0.64 -0.29 -0.62 1.75 -0.06 -4.98 119.30 115.40 2b7t s MET 23 Ca 0.09 -0.16 -0.09 0.00 -1.25 0.00 0.00 55.69 54.27 2b7t s MET 23 Cb -0.12 -0.64 -0.02 0.00 2.84 0.00 0.00 34.83 36.90 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 0.34 3.97 -0.08 4.11 1.98 -1.26 -0.94 118.68 126.80 2b7t s LEU 24 Ca -0.04 -0.39 0.02 0.00 -2.89 0.00 0.00 54.13 50.83 2b7t s LEU 24 Cb -0.08 -2.00 -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 1.63 2.67 0.28 -0.68 1.43 0.52 -4.94 118.68 119.59 2b7t s LEU 25 Ca 0.05 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2b7t s LEU 25 Cb -0.17 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2b7t s LEU 25 CO 0.06 0.27 1.19 -0.94 0.23 0.00 0.00 176.35 177.16 2b7t s SER 26 N -0.30 7.07 -0.18 2.29 1.04 -1.26 -1.93 113.70 120.43 2b7t s SER 26 Ca 0.02 2.39 -0.28 0.00 0.48 0.00 0.00 55.95 58.57 2b7t s SER 26 Cb -0.13 -2.63 -0.13 0.00 0.10 0.00 0.00 66.02 63.24 2b7t s SER 26 CO 0.03 -0.31 0.86 1.67 0.98 0.00 0.00 173.24 176.46 2b7t n GLN 27 N 1.37 0.00 -0.86 4.02 7.27 -1.26 -4.63 117.38 123.29 2b7t n GLN 27 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 2b7t n GLN 27 Cb 0.44 -0.94 -0.02 0.00 2.41 0.00 0.00 30.24 32.12 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2b7t n THR 28 N 1.84 0.00 -1.71 1.69 5.66 0.12 -5.01 114.28 116.87 2b7t n THR 28 Ca 0.16 -0.17 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 2b7t n THR 28 Cb -0.00 0.43 0.02 0.00 -1.55 0.00 0.00 70.33 69.23 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 0.08 0.55 1.80 1.09 0.00 -1.23 -4.69 105.19 102.80 2b7t n GLY 29 Ca -0.09 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.24 1.59 0.00 1.61 -0.04 -0.91 -4.77 135.00 132.23 2b7t n PRO 30 Ca 0.08 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 2b7t n PRO 30 Cb 0.41 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.01 0.00 -0.12 0.52 0.31 -1.26 -4.34 118.33 115.46 2b7t n VAL 31 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2b7t n VAL 31 Cb 0.73 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 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 -1.51 0.00 -3.94 3.52 1.44 -1.26 -5.01 115.22 108.46 2b7t n HIS 32 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 2b7t n HIS 32 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 -0.38 -0.03 0.60 1.59 0.00 -1.26 -5.17 121.76 117.12 2b7t s ALA 33 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2b7t s ALA 33 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2b7t s ALA 33 CO 0.00 -0.25 1.06 -2.14 0.00 0.00 0.00 175.76 174.43 2b7t s PRO 34 N -2.09 3.28 -0.13 0.00 0.02 -1.26 -2.14 135.00 132.68 2b7t s PRO 34 Ca -0.10 1.17 -0.09 0.00 0.02 0.00 0.00 61.00 62.01 2b7t s PRO 34 Cb -0.05 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.49 2b7t s PRO 34 CO -0.02 -0.84 0.32 -1.17 -0.33 0.00 0.00 177.00 174.95 2b7t s LEU 35 N -4.62 0.47 0.05 -5.54 1.98 -1.26 -4.35 118.68 105.41 2b7t s LEU 35 Ca 0.63 0.67 0.04 0.00 -2.89 0.00 0.00 54.13 52.58 2b7t s LEU 35 Cb -0.16 1.05 -0.02 0.00 0.66 0.00 0.00 46.19 47.72 2b7t s LEU 35 CO 0.39 -0.15 -0.13 -0.36 -1.89 0.00 0.00 176.35 174.22 2b7t s PHE 36 N 0.78 1.11 -0.05 5.38 0.40 -0.44 -0.70 117.98 124.45 2b7t s PHE 36 Ca -0.05 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 2b7t s PHE 36 Cb -0.06 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 2b7t s PHE 36 CO -0.05 0.02 -0.22 0.14 0.70 0.00 0.00 175.22 175.81 2b7t s VAL 37 N -1.02 1.81 -0.09 -0.44 -7.23 -0.81 -1.20 120.40 111.41 2b7t s VAL 37 Ca -0.01 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 2b7t s VAL 37 Cb -0.08 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2b7t s VAL 37 CO 0.01 0.51 -0.10 -0.04 -0.31 0.00 0.00 175.10 175.17 2b7t s MET 38 N -0.11 3.01 -0.27 4.82 -1.94 -0.23 -0.36 119.30 124.22 2b7t s MET 38 Ca -0.03 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 2b7t s MET 38 Cb -0.13 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.07 2b7t s MET 38 CO 0.03 0.46 0.26 -1.54 -0.01 0.00 0.00 175.02 174.22 2b7t s SER 39 N -0.28 6.11 -0.12 3.03 1.04 -0.11 -0.96 113.70 122.40 2b7t s SER 39 Ca 0.03 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 2b7t s SER 39 Cb -0.13 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 2b7t s SER 39 CO 0.03 -0.10 -0.10 0.54 0.98 0.00 0.00 173.24 174.59 2b7t s VAL 40 N 1.85 3.33 -0.19 5.02 0.11 0.04 -0.88 120.40 129.68 2b7t s VAL 40 Ca 0.10 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.50 2b7t s VAL 40 Cb -0.16 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2b7t s VAL 40 CO 0.10 0.53 0.06 -0.70 -3.33 0.00 0.00 175.10 171.77 2b7t s GLU 41 N 0.11 3.92 -0.00 1.54 -6.30 0.21 -0.33 118.70 117.84 2b7t s GLU 41 Ca -0.04 -0.37 0.02 0.00 -2.50 0.00 0.00 54.97 52.07 2b7t s GLU 41 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 34.13 30.73 2b7t s GLU 41 CO 0.04 0.19 0.03 1.55 0.02 0.00 0.00 175.26 177.09 2b7t n VAL 42 N 3.80 0.02 -1.20 3.70 3.14 -0.90 -1.79 118.33 125.11 2b7t n VAL 42 Ca -0.16 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2b7t n VAL 42 Cb 0.52 0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 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 -1.64 0.00 0.00 6.55 5.15 -1.26 -4.92 115.26 119.14 2b7t n ASN 43 Ca -0.01 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 2b7t n ASN 43 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.07 3.30 8.20 0.00 -1.26 -5.14 105.19 110.22 2b7t n GLY 44 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.46 -0.14 1.61 0.00 -1.26 -5.16 119.66 115.17 2b7t s GLN 45 Ca 0.00 0.59 -0.07 0.00 -0.00 0.00 0.00 55.36 55.89 2b7t s GLN 45 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 33.01 33.17 2b7t s GLN 45 CO 0.00 -0.07 0.09 0.14 0.00 0.00 0.00 175.29 175.45 2b7t s VAL 46 N 0.36 5.10 -0.17 3.63 -7.23 -1.26 -2.11 120.40 118.73 2b7t s VAL 46 Ca -0.01 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2b7t s VAL 46 Cb -0.04 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.67 2b7t s VAL 46 CO -0.01 0.55 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.79 2b7t s PHE 47 N -0.48 2.77 -0.25 2.82 0.08 0.56 -4.86 117.98 118.62 2b7t s PHE 47 Ca 0.11 -1.37 -0.08 0.00 0.12 0.00 0.00 56.93 55.71 2b7t s PHE 47 Cb -0.12 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2b7t s PHE 47 CO 0.02 -0.66 0.09 -2.00 -0.10 0.00 0.00 175.22 172.57 2b7t s GLU 48 N 1.07 3.75 -0.05 0.44 2.12 -1.26 -0.78 118.70 124.00 2b7t s GLU 48 Ca -0.01 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 54.95 2b7t s GLU 48 Cb -0.14 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2b7t s GLU 48 CO -0.06 -0.13 -0.22 0.20 -0.54 0.00 0.00 175.26 174.50 2b7t s GLY 49 N 1.50 1.17 -0.19 -1.50 0.00 -0.14 -4.77 107.32 103.40 2b7t s GLY 49 Ca 0.06 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 2b7t s GLY 49 CO 0.05 -0.57 0.06 -1.35 0.00 0.00 0.00 173.10 171.29 2b7t s SER 50 N -0.12 5.50 -0.01 1.64 1.04 -1.26 -1.07 113.70 119.42 2b7t s SER 50 Ca -0.03 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2b7t s SER 50 Cb -0.13 -1.94 -0.00 0.00 0.10 0.00 0.00 66.02 64.05 2b7t s SER 50 CO 0.03 0.15 -0.05 -0.83 0.98 0.00 0.00 173.24 173.52 2b7t s GLY 51 N 0.52 0.28 0.00 7.32 0.00 -0.34 -4.59 107.32 110.51 2b7t s GLY 51 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2b7t s GLY 51 CO 0.01 -0.12 0.63 -1.05 0.00 0.00 0.00 173.10 172.58 2b7t n PRO 52 N 3.07 0.00 -3.82 2.90 -0.02 -1.26 -1.33 135.00 134.54 2b7t n PRO 52 Ca -0.14 0.20 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 2b7t n PRO 52 Cb 0.57 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.31 2b7t n PRO 52 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2b7t s THR 53 N -2.27 0.03 0.52 3.45 -1.32 -1.26 -4.43 115.64 110.37 2b7t s THR 53 Ca 0.00 -0.27 0.24 0.00 -1.21 0.00 0.00 61.69 60.45 2b7t s THR 53 Cb 0.00 -0.36 0.39 0.00 -1.51 0.00 0.00 72.50 71.02 2b7t s THR 53 CO 0.00 -0.15 1.99 0.07 -2.21 0.00 0.00 174.62 174.32 2b7t h LYS 54 N 5.14 0.04 -0.09 7.08 2.10 -1.89 0.06 116.57 129.02 2b7t h LYS 54 Ca -0.28 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.26 2b7t h LYS 54 Cb 1.19 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2b7t h LYS 54 CO 0.39 0.03 -0.47 0.87 -2.00 0.00 0.00 179.45 178.27 2b7t h LYS 55 N 0.04 0.21 0.07 0.07 1.57 -1.97 -1.29 116.57 115.28 2b7t h LYS 55 Ca 0.27 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.69 2b7t h LYS 55 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2b7t h LYS 55 CO -0.01 0.64 -1.13 -0.22 -0.57 0.00 0.00 179.45 178.16 2b7t h LYS 56 N 0.17 0.16 0.73 3.15 3.64 -1.47 -2.76 116.57 120.19 2b7t h LYS 56 Ca 0.01 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2b7t h LYS 56 Cb 0.90 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2b7t h LYS 56 CO 0.07 1.12 -0.35 0.00 -2.27 0.00 0.00 179.45 178.02 2b7t h ALA 57 N 0.77 -0.98 -0.94 5.00 0.00 -0.87 0.14 119.26 122.39 2b7t h ALA 57 Ca -0.08 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2b7t h ALA 57 Cb 1.87 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.97 2b7t h ALA 57 CO 0.17 -1.05 0.59 1.57 0.00 0.00 0.00 179.25 180.53 2b7t h LYS 58 N -0.98 0.99 -0.13 0.00 2.10 -1.38 -0.90 116.57 116.26 2b7t h LYS 58 Ca -0.10 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 2b7t h LYS 58 Cb 0.75 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.81 2b7t h LYS 58 CO 0.16 0.65 -0.14 1.25 -2.00 0.00 0.00 179.45 179.38 2b7t h LEU 59 N 1.02 -0.43 -0.03 7.07 5.85 -1.36 0.55 115.31 127.98 2b7t h LEU 59 Ca 0.43 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.26 2b7t h LEU 59 Cb 0.27 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2b7t h LEU 59 CO -0.21 -0.18 -0.18 -0.74 -0.34 0.00 0.00 178.44 176.79 2b7t h HIS 60 N -0.17 -0.47 0.20 1.25 2.76 -0.59 0.50 115.15 118.63 2b7t h HIS 60 Ca 0.09 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2b7t h HIS 60 Cb 0.30 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 2b7t h HIS 60 CO -0.26 -0.26 -0.33 0.00 -1.30 0.00 0.00 177.93 175.78 2b7t h ALA 61 N 0.66 -0.62 0.20 5.26 0.00 -1.01 -1.94 119.26 121.81 2b7t h ALA 61 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b7t h ALA 61 Cb 0.37 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2b7t h ALA 61 CO -0.19 -0.90 -0.32 0.00 0.00 0.00 0.00 179.25 177.84 2b7t h ALA 62 N -0.02 -0.60 0.27 0.00 0.00 -0.76 0.19 119.26 118.35 2b7t h ALA 62 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 62 Cb 0.60 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2b7t h ALA 62 CO -0.15 -0.88 -0.37 1.49 0.00 0.00 0.00 179.25 179.34 2b7t h GLU 63 N -0.59 -0.65 -0.84 0.00 4.22 -0.82 -1.62 114.58 114.29 2b7t h GLU 63 Ca 0.01 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.58 2b7t h GLU 63 Cb 0.58 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2b7t h GLU 63 CO -0.14 -0.43 0.55 -0.22 -2.18 0.00 0.00 179.01 176.59 2b7t h LYS 64 N -0.67 0.83 0.43 1.92 3.64 -1.39 -1.38 116.57 119.94 2b7t h LYS 64 Ca -0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2b7t h LYS 64 Cb 0.61 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2b7t h LYS 64 CO -0.10 0.55 -0.41 0.00 -2.27 0.00 0.00 179.45 177.22 2b7t h ALA 65 N 1.57 -1.09 -0.22 5.00 0.00 0.31 0.28 119.26 125.10 2b7t h ALA 65 Ca 0.38 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2b7t h ALA 65 Cb 0.34 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2b7t h ALA 65 CO -0.15 -1.11 -0.53 1.25 0.00 0.00 0.00 179.25 178.71 2b7t h LEU 66 N -0.84 0.72 0.48 0.00 6.46 -1.34 -1.60 115.31 119.18 2b7t h LEU 66 Ca -0.05 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2b7t h LEU 66 Cb 0.72 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2b7t h LEU 66 CO -0.04 1.11 -0.48 -0.09 -0.62 0.00 0.00 178.44 178.32 2b7t h ARG 67 N 0.50 -0.93 -0.63 1.25 1.12 -1.16 -0.87 114.38 113.67 2b7t h ARG 67 Ca 0.01 0.06 0.08 0.00 -1.11 0.00 0.00 59.98 59.02 2b7t h ARG 67 Cb 1.09 0.21 -0.06 0.00 -0.01 0.00 0.00 29.97 31.20 2b7t h ARG 67 CO 0.11 -0.62 0.30 1.03 -3.11 0.00 0.00 179.97 177.68 2b7t h SER 68 N -0.96 0.39 -0.49 -3.80 0.87 -0.49 -1.43 113.55 107.64 2b7t h SER 68 Ca -0.05 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 2b7t h SER 68 Cb 0.84 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2b7t h SER 68 CO -0.07 0.24 0.34 0.15 -0.53 0.00 0.00 176.83 176.96 2b7t h PHE 69 N 0.54 0.21 -0.00 2.24 3.57 -1.08 -0.44 116.94 121.98 2b7t h PHE 69 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2b7t h PHE 69 Cb 0.28 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2b7t h PHE 69 CO -0.12 0.10 -0.31 0.28 -2.23 0.00 0.00 178.31 176.03 2b7t n VAL 70 N -4.45 0.00 -3.27 1.41 0.31 -0.35 -4.67 118.33 107.32 2b7t n VAL 70 Ca 0.08 -0.08 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 2b7t n VAL 70 Cb 0.42 0.27 -0.07 0.00 -0.91 0.00 0.00 33.84 33.55 2b7t n VAL 70 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2b7t n GLN 71 N -0.98 2.75 -4.19 5.55 7.27 -0.18 -5.02 117.38 122.57 2b7t n GLN 71 Ca 0.10 -4.73 -0.16 0.00 0.07 0.00 0.00 57.00 52.28 2b7t n GLN 71 Cb 0.34 -2.24 -0.11 0.00 2.41 0.00 0.00 30.24 30.63 2b7t n GLN 71 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2b7t s PHE 72 N -2.79 1.20 -2.00 3.69 0.08 -1.26 -4.84 117.98 112.06 2b7t s PHE 72 Ca 0.43 -0.57 0.14 0.00 0.12 0.00 0.00 56.93 57.04 2b7t s PHE 72 Cb 0.19 -0.65 0.81 0.00 -0.57 0.00 0.00 43.02 42.80 2b7t s PHE 72 CO -0.05 0.06 1.23 -0.35 -0.10 0.00 0.00 175.22 176.01