#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 -0.79 2.10 0.55 0.00 -1.26 -5.02 105.19 100.77 2b7t n GLY 2 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 2.09 0.00 1.61 -0.04 -1.26 -4.25 135.00 133.15 2b7t n PRO 3 Ca 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2b7t n PRO 3 Cb 0.00 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.74 0.37 -0.33 0.52 0.24 -1.26 -4.88 118.33 115.73 2b7t n VAL 4 Ca 0.45 -0.48 0.18 0.00 -2.04 0.00 0.00 64.34 62.44 2b7t n VAL 4 Cb 0.73 0.97 0.42 0.00 -1.47 0.00 0.00 33.84 34.49 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2b7t h LEU 5 N 0.00 0.61 -1.87 1.34 4.07 -2.05 -0.65 115.31 116.77 2b7t h LEU 5 Ca 0.00 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.10 2b7t h LEU 5 Cb 0.51 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2b7t h LEU 5 CO 0.00 0.17 0.43 -0.65 -1.08 0.00 0.00 178.44 177.31 2b7t h PRO 6 N 0.57 0.00 -0.86 1.13 0.11 -1.97 -2.56 132.00 128.41 2b7t h PRO 6 Ca 0.58 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.88 2b7t h PRO 6 Cb 1.18 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 2b7t h PRO 6 CO -0.34 0.00 -0.14 -0.22 -0.21 0.00 0.00 178.00 177.09 2b7t h LYS 7 N 0.00 0.02 -0.21 1.05 3.64 -1.52 -1.60 116.57 117.96 2b7t h LYS 7 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2b7t h LYS 7 Cb 0.93 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2b7t h LYS 7 CO -0.00 0.01 0.13 -0.91 -2.27 0.00 0.00 179.45 176.41 2b7t h ASN 8 N 0.02 0.24 0.25 4.20 2.35 -1.69 0.15 115.58 121.10 2b7t h ASN 8 Ca 0.44 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 2b7t h ASN 8 Cb 0.73 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2b7t h ASN 8 CO -0.85 0.19 -0.19 0.00 -1.65 0.00 0.00 177.43 174.93 2b7t h ALA 9 N 1.06 -0.42 0.17 -0.83 0.00 -1.69 -1.91 119.26 115.63 2b7t h ALA 9 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b7t h ALA 9 Cb -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2b7t h ALA 9 CO -0.02 -0.75 -0.26 -0.07 0.00 0.00 0.00 179.25 178.15 2b7t h LEU 10 N -0.44 -0.72 -1.16 0.00 -0.00 -0.78 -0.96 115.31 111.26 2b7t h LEU 10 Ca -0.01 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 58.05 2b7t h LEU 10 Cb 0.39 0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 41.24 2b7t h LEU 10 CO -0.01 -0.36 0.59 0.00 -0.00 0.00 0.00 178.44 178.67 2b7t h MET 11 N -0.50 0.88 0.14 1.13 -0.00 -0.80 0.19 114.93 115.97 2b7t h MET 11 Ca 0.02 -0.05 0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2b7t h MET 11 Cb 0.50 -0.20 -0.05 0.00 -0.00 0.00 0.00 31.60 31.85 2b7t h MET 11 CO -0.12 0.58 -0.52 0.37 -0.00 0.00 0.00 176.91 177.22 2b7t h GLN 12 N 0.90 -0.73 -0.23 -0.10 4.15 -0.36 -1.09 115.11 117.65 2b7t h GLN 12 Ca 0.43 0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.78 2b7t h GLN 12 Cb 0.44 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2b7t h GLN 12 CO -0.20 -0.49 -0.37 1.37 -1.93 0.00 0.00 178.83 177.22 2b7t h LEU 13 N -0.76 0.54 -0.59 -2.39 -0.00 -0.84 -1.85 115.31 109.41 2b7t h LEU 13 Ca -0.01 -0.23 0.06 0.00 -0.00 0.00 0.00 57.88 57.71 2b7t h LEU 13 Cb 0.76 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.22 2b7t h LEU 13 CO -0.28 0.86 0.29 -1.13 -0.00 0.00 0.00 178.44 178.19 2b7t h ASN 14 N 0.44 0.40 0.45 0.17 -0.00 -0.51 0.44 115.58 116.97 2b7t h ASN 14 Ca 0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 2b7t h ASN 14 Cb 0.84 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 39.11 2b7t h ASN 14 CO 0.07 0.26 -0.43 -0.33 -0.00 0.00 0.00 177.43 177.01 2b7t h GLU 15 N 0.55 -0.85 -0.43 6.67 5.08 -1.08 -2.62 114.58 121.90 2b7t h GLU 15 Ca 0.27 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2b7t h GLU 15 Cb 0.21 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2b7t h GLU 15 CO -0.20 -0.57 0.16 0.82 -1.00 0.00 0.00 179.01 178.22 2b7t h ILE 16 N -0.89 0.88 -2.42 3.13 2.04 -0.69 -3.38 117.51 116.18 2b7t h ILE 16 Ca -0.05 -0.12 -0.54 0.00 1.00 0.00 0.00 64.86 65.16 2b7t h ILE 16 Cb 0.78 0.51 -0.37 0.00 -0.74 0.00 0.00 36.82 37.00 2b7t h ILE 16 CO -0.05 0.06 -0.84 -0.54 0.00 0.00 0.00 178.15 176.78 2b7t s LYS 17 N -6.14 0.63 -0.91 2.37 -0.14 0.09 -5.06 119.74 110.57 2b7t s LYS 17 Ca -0.13 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.02 2b7t s LYS 17 Cb 0.13 -1.21 -0.12 0.00 -1.68 0.00 0.00 37.83 34.96 2b7t s LYS 17 CO 0.72 -1.24 2.70 -0.35 -0.76 0.00 0.00 175.35 176.42 2b7t n PRO 18 N 3.84 2.54 -2.68 -1.68 -0.04 -0.99 -4.17 135.00 131.83 2b7t n PRO 18 Ca 0.15 -1.54 -0.05 0.00 -0.04 0.00 0.00 63.50 62.02 2b7t n PRO 18 Cb 0.40 -2.41 0.06 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.34 0.09 3.83 0.55 0.00 -1.26 -5.12 105.19 106.63 2b7t n GLY 19 Ca 0.54 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.46 3.94 -0.26 0.99 1.02 -1.26 -4.77 118.68 115.88 2b7t s LEU 20 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 2b7t s LEU 20 Cb 0.24 -2.56 0.08 0.00 0.02 0.00 0.00 46.19 43.97 2b7t s LEU 20 CO -0.07 0.09 0.04 -1.10 0.02 0.00 0.00 176.35 175.34 2b7t s GLN 21 N -2.96 0.93 -0.14 1.70 1.11 -0.66 -4.94 119.66 114.69 2b7t s GLN 21 Ca 0.32 -0.91 -0.07 0.00 0.01 0.00 0.00 55.36 54.71 2b7t s GLN 21 Cb -0.11 -2.22 -0.04 0.00 -1.01 0.00 0.00 33.01 29.63 2b7t s GLN 21 CO 0.24 -0.80 0.09 0.71 0.01 0.00 0.00 175.29 175.55 2b7t s TYR 22 N 1.60 3.40 -0.03 0.91 1.51 -1.26 -0.57 117.35 122.91 2b7t s TYR 22 Ca 0.03 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 2b7t s TYR 22 Cb -0.18 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2b7t s TYR 22 CO -0.15 0.46 -0.09 1.41 -1.11 0.00 0.00 175.55 176.07 2b7t s MET 23 N -0.40 0.97 -0.30 -0.62 1.75 -0.03 -4.98 119.30 115.70 2b7t s MET 23 Ca 0.10 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 54.16 2b7t s MET 23 Cb -0.12 -0.91 -0.01 0.00 2.84 0.00 0.00 34.83 36.63 2b7t s MET 23 CO 0.02 0.10 0.14 -1.17 -0.65 0.00 0.00 175.02 173.45 2b7t s LEU 24 N 0.25 3.98 -0.06 4.11 1.98 -1.26 -0.90 118.68 126.78 2b7t s LEU 24 Ca -0.04 -0.42 0.03 0.00 -2.89 0.00 0.00 54.13 50.81 2b7t s LEU 24 Cb -0.09 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.74 2b7t s LEU 24 CO 0.01 -0.15 -0.14 -0.76 -1.89 0.00 0.00 176.35 173.41 2b7t s LEU 25 N 1.63 2.73 0.17 -0.68 1.43 0.50 -4.97 118.68 119.48 2b7t s LEU 25 Ca 0.05 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2b7t s LEU 25 Cb -0.17 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 2b7t s LEU 25 CO 0.06 0.32 1.06 -0.94 0.23 0.00 0.00 176.35 177.08 2b7t s SER 26 N -0.58 7.34 0.22 2.29 1.04 -1.26 -2.03 113.70 120.71 2b7t s SER 26 Ca 0.08 2.03 -0.31 0.00 0.48 0.00 0.00 55.95 58.22 2b7t s SER 26 Cb -0.11 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.26 2b7t s SER 26 CO 0.01 -0.16 1.25 1.67 0.98 0.00 0.00 173.24 176.98 2b7t n GLN 27 N 2.37 1.56 -1.98 4.02 0.00 -1.26 -4.72 117.38 117.37 2b7t n GLN 27 Ca 0.02 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.58 2b7t n GLN 27 Cb 0.47 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.61 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 1.48 0.00 -2.43 1.69 5.66 -0.08 -4.96 114.28 115.64 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 0.28 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.42 -2.19 3.97 1.09 0.00 -1.26 -0.60 105.19 106.62 2b7t n GLY 29 Ca 0.00 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.25 2.84 0.58 1.61 0.04 -1.26 -4.84 135.00 133.72 2b7t s PRO 30 Ca 0.00 -0.75 0.28 0.00 0.04 0.00 0.00 61.00 60.57 2b7t s PRO 30 Cb 0.00 -2.58 1.62 0.00 0.04 0.00 0.00 34.50 33.58 2b7t s PRO 30 CO 0.00 -0.40 2.10 0.28 0.04 0.00 0.00 177.00 179.02 2b7t h VAL 31 N 0.35 0.53 -0.02 -0.36 2.07 -2.01 -1.86 116.25 114.96 2b7t h VAL 31 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2b7t h VAL 31 Cb 1.27 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2b7t h VAL 31 CO 0.53 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.84 2b7t n HIS 32 N -3.90 0.00 -2.68 1.57 -0.00 -1.26 -4.51 115.22 104.44 2b7t n HIS 32 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.66 2b7t n HIS 32 Cb 0.32 -0.02 0.08 0.00 -0.00 0.00 0.00 29.99 30.37 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 0.22 2.20 -1.52 1.59 0.00 -0.80 -5.13 120.51 117.08 2b7t n ALA 33 Ca 0.12 -2.10 -0.52 0.00 0.00 0.00 0.00 53.44 50.94 2b7t n ALA 33 Cb 0.47 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.37 1.18 -3.67 0.00 -0.02 -0.77 -4.28 135.00 127.07 2b7t n PRO 34 Ca 0.02 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 2b7t n PRO 34 Cb 0.84 -2.39 -0.12 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 6.21 4.11 0.02 2.45 1.98 0.23 -3.63 118.68 130.05 2b7t s LEU 35 Ca 1.06 -0.58 0.01 0.00 -2.89 0.00 0.00 54.13 51.72 2b7t s LEU 35 Cb -0.90 -1.99 -0.04 0.00 0.66 0.00 0.00 46.19 43.93 2b7t s LEU 35 CO 0.53 -0.21 0.08 -0.36 -1.89 0.00 0.00 176.35 174.51 2b7t s PHE 36 N 1.59 3.26 -0.05 5.38 0.40 -0.61 -0.90 117.98 127.05 2b7t s PHE 36 Ca 0.04 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.60 2b7t s PHE 36 Cb -0.17 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2b7t s PHE 36 CO 0.06 0.54 -0.24 0.14 0.70 0.00 0.00 175.22 176.42 2b7t s VAL 37 N -1.25 1.96 -0.10 -0.44 -7.23 -0.86 -1.00 120.40 111.49 2b7t s VAL 37 Ca 0.25 -1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2b7t s VAL 37 Cb -0.12 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2b7t s VAL 37 CO 0.16 0.55 -0.07 -0.04 -0.31 0.00 0.00 175.10 175.38 2b7t s MET 38 N -0.15 3.08 -0.30 4.82 -1.94 -0.33 -0.37 119.30 124.10 2b7t s MET 38 Ca -0.03 -0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 2b7t s MET 38 Cb -0.13 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 2b7t s MET 38 CO 0.03 0.48 0.19 -1.54 -0.01 0.00 0.00 175.02 174.18 2b7t s SER 39 N -0.32 5.88 -0.16 3.03 1.04 -0.07 -1.27 113.70 121.82 2b7t s SER 39 Ca 0.04 -0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 2b7t s SER 39 Cb -0.13 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 2b7t s SER 39 CO 0.02 -0.14 -0.02 0.54 0.98 0.00 0.00 173.24 174.62 2b7t s VAL 40 N 1.71 3.97 -0.20 5.02 0.11 0.11 -0.85 120.40 130.26 2b7t s VAL 40 Ca 0.06 -0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 2b7t s VAL 40 Cb -0.17 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 2b7t s VAL 40 CO 0.09 0.48 0.06 -0.70 -3.33 0.00 0.00 175.10 171.71 2b7t s GLU 41 N 0.45 3.86 0.00 1.54 -6.30 0.26 -0.40 118.70 118.12 2b7t s GLU 41 Ca -0.03 -0.39 0.00 0.00 -2.50 0.00 0.00 54.97 52.05 2b7t s GLU 41 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.75 2b7t s GLU 41 CO 0.03 0.12 0.00 1.55 0.02 0.00 0.00 175.26 176.98 2b7t n VAL 42 N 4.00 0.00 -0.54 3.70 3.14 -0.84 -1.66 118.33 126.13 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 0.85 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 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 -1.12 0.00 0.00 6.55 5.15 -1.26 -4.93 115.26 119.65 2b7t n ASN 43 Ca 0.00 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 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 0.31 2.95 8.20 0.00 -1.26 -5.14 105.19 110.25 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 0.27 -0.13 1.61 0.00 -1.26 -5.16 119.66 114.99 2b7t s GLN 45 Ca 0.00 -0.27 -0.05 0.00 -0.00 0.00 0.00 55.36 55.04 2b7t s GLN 45 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 33.01 32.81 2b7t s GLN 45 CO 0.00 0.04 0.04 0.14 0.00 0.00 0.00 175.29 175.51 2b7t s VAL 46 N -0.48 4.62 -0.20 3.63 -7.23 -1.26 -1.99 120.40 117.49 2b7t s VAL 46 Ca -0.03 -0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2b7t s VAL 46 Cb -0.04 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.90 2b7t s VAL 46 CO -0.00 0.55 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.86 2b7t s PHE 47 N -0.39 2.87 -0.16 2.82 0.40 0.47 -4.87 117.98 119.11 2b7t s PHE 47 Ca 0.09 -1.21 -0.06 0.00 -0.60 0.00 0.00 56.93 55.15 2b7t s PHE 47 Cb -0.12 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2b7t s PHE 47 CO 0.02 -0.63 0.05 -1.21 0.70 0.00 0.00 175.22 174.15 2b7t s GLU 48 N 1.31 3.79 -0.01 0.44 2.02 -1.26 -0.71 118.70 124.28 2b7t s GLU 48 Ca 0.04 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.69 2b7t s GLU 48 Cb -0.14 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 30.96 2b7t s GLU 48 CO -0.06 0.36 -0.06 0.20 0.02 0.00 0.00 175.26 175.71 2b7t s GLY 49 N 0.12 0.32 -0.14 -1.39 0.00 -0.40 -4.69 107.32 101.15 2b7t s GLY 49 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 2b7t s GLY 49 CO 0.01 -0.15 0.05 -1.35 0.00 0.00 0.00 173.10 171.65 2b7t s SER 50 N -0.04 5.58 -0.09 1.64 1.04 -1.26 -1.18 113.70 119.39 2b7t s SER 50 Ca 0.01 0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 2b7t s SER 50 Cb -0.04 -1.81 0.03 0.00 0.10 0.00 0.00 66.02 64.30 2b7t s SER 50 CO -0.00 0.28 0.23 -0.83 0.98 0.00 0.00 173.24 173.90 2b7t s GLY 51 N -0.30 -0.15 0.00 7.32 0.00 -0.17 -4.41 107.32 109.61 2b7t s GLY 51 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2b7t s GLY 51 CO 0.02 0.87 0.00 -1.05 0.00 0.00 0.00 173.10 172.94 2b7t n PRO 52 N 3.55 0.00 -0.40 2.90 -0.02 -1.26 -1.58 135.00 138.20 2b7t n PRO 52 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2b7t n PRO 52 Cb 0.56 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 2b7t n PRO 52 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2b7t n THR 53 N -0.21 0.00 0.00 3.45 5.66 -1.24 -4.35 114.28 117.60 2b7t n THR 53 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2b7t n THR 53 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2b7t n THR 53 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2b7t n LYS 54 N 0.00 0.00 -0.05 1.09 2.85 -1.22 -4.36 118.16 116.46 2b7t n LYS 54 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2b7t n LYS 54 Cb 0.40 -0.50 0.07 0.00 -0.65 0.00 0.00 35.03 34.36 2b7t n LYS 54 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2b7t h LYS 55 N 0.00 0.70 -0.30 -1.58 1.57 -1.97 -0.70 116.57 114.29 2b7t h LYS 55 Ca 0.00 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 2b7t h LYS 55 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2b7t h LYS 55 CO 0.00 0.95 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.40 2b7t h LYS 56 N 0.59 0.55 0.47 3.15 3.64 -1.90 -1.87 116.57 121.21 2b7t h LYS 56 Ca 0.06 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2b7t h LYS 56 Cb 0.87 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2b7t h LYS 56 CO 0.08 0.73 -0.23 0.00 -2.27 0.00 0.00 179.45 177.76 2b7t h ALA 57 N 1.28 -0.64 -0.85 5.00 0.00 -1.61 -0.16 119.26 122.29 2b7t h ALA 57 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 57 Cb 0.64 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2b7t h ALA 57 CO 0.05 -0.74 0.56 1.57 0.00 0.00 0.00 179.25 180.68 2b7t h LYS 58 N -0.87 0.99 0.03 0.00 5.09 -1.24 -0.82 116.57 119.74 2b7t h LYS 58 Ca -0.07 -0.06 0.03 0.00 0.09 0.00 0.00 60.65 60.64 2b7t h LYS 58 Cb 0.58 -0.22 -0.05 0.00 0.10 0.00 0.00 32.23 32.64 2b7t h LYS 58 CO 0.11 0.65 -0.41 1.25 -2.09 0.00 0.00 179.45 178.96 2b7t h LEU 59 N 1.02 -1.22 -0.33 7.07 5.85 -1.29 -0.70 115.31 125.70 2b7t h LEU 59 Ca 0.35 0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.26 2b7t h LEU 59 Cb 0.09 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 2b7t h LEU 59 CO -0.11 -0.46 0.04 -0.74 -0.34 0.00 0.00 178.44 176.83 2b7t h HIS 60 N -0.58 0.06 0.39 1.25 2.76 -0.35 0.21 115.15 118.89 2b7t h HIS 60 Ca 0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2b7t h HIS 60 Cb 0.65 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2b7t h HIS 60 CO -0.40 -0.01 -0.39 0.00 -1.30 0.00 0.00 177.93 175.83 2b7t h ALA 61 N 1.26 -1.06 -0.65 5.26 0.00 -1.12 -2.03 119.26 120.92 2b7t h ALA 61 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b7t h ALA 61 Cb 0.19 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2b7t h ALA 61 CO -0.23 -1.09 0.40 0.00 0.00 0.00 0.00 179.25 178.33 2b7t h ALA 62 N -1.10 0.83 0.36 0.00 0.00 -0.89 0.28 119.26 118.74 2b7t h ALA 62 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2b7t h ALA 62 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2b7t h ALA 62 CO -0.05 0.30 -0.35 1.49 0.00 0.00 0.00 179.25 180.64 2b7t h GLU 63 N 0.88 -0.68 -0.35 0.00 4.22 -0.61 -1.79 114.58 116.24 2b7t h GLU 63 Ca 0.23 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 2b7t h GLU 63 Cb -0.04 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2b7t h GLU 63 CO -0.04 -0.45 0.12 -0.22 -2.18 0.00 0.00 179.01 176.23 2b7t h LYS 64 N -0.71 0.50 0.44 1.92 3.64 -1.33 -0.87 116.57 120.16 2b7t h LYS 64 Ca -0.05 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2b7t h LYS 64 Cb 0.61 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2b7t h LYS 64 CO -0.04 0.43 -0.47 0.00 -2.27 0.00 0.00 179.45 177.11 2b7t h ALA 65 N 1.64 -1.03 -0.43 5.00 0.00 -0.23 0.26 119.26 124.47 2b7t h ALA 65 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2b7t h ALA 65 Cb 0.14 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2b7t h ALA 65 CO -0.01 -1.12 -0.05 -0.07 0.00 0.00 0.00 179.25 178.00 2b7t h LEU 66 N -0.92 0.79 0.22 0.00 -0.00 -1.24 -0.56 115.31 113.59 2b7t h LEU 66 Ca -0.05 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 2b7t h LEU 66 Cb 0.82 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2b7t h LEU 66 CO -0.08 0.94 -0.32 -0.09 -0.00 0.00 0.00 178.44 178.88 2b7t h ARG 67 N 0.63 -0.59 -0.18 1.13 1.12 -1.01 0.48 114.38 115.96 2b7t h ARG 67 Ca 0.12 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.06 2b7t h ARG 67 Cb 0.57 0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.63 2b7t h ARG 67 CO 0.03 -0.39 -0.03 1.03 -3.11 0.00 0.00 179.97 177.50 2b7t h SER 68 N -0.61 -0.12 -0.38 -3.80 0.87 -0.54 -0.95 113.55 108.02 2b7t h SER 68 Ca 0.01 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.72 2b7t h SER 68 Cb 0.60 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2b7t h SER 68 CO -0.13 -0.04 0.31 0.15 -0.53 0.00 0.00 176.83 176.59 2b7t h PHE 69 N 0.02 0.00 0.05 2.24 3.57 -0.91 0.18 116.94 122.09 2b7t h PHE 69 Ca 0.08 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.28 2b7t h PHE 69 Cb 0.12 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2b7t h PHE 69 CO -0.19 0.00 -1.70 0.28 -2.23 0.00 0.00 178.31 174.48 2b7t h VAL 70 N 0.00 0.91 0.00 1.41 2.07 -0.31 -3.44 116.25 116.89 2b7t h VAL 70 Ca 0.18 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2b7t h VAL 70 Cb 0.79 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2b7t h VAL 70 CO -0.00 0.68 0.00 0.00 0.02 0.00 0.00 177.57 178.27 2b7t n GLN 71 N -3.25 0.10 0.00 1.57 10.64 -0.42 -5.10 117.38 120.92 2b7t n GLN 71 Ca -0.19 -0.31 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 2b7t n GLN 71 Cb 1.04 -0.58 0.00 0.00 -0.86 0.00 0.00 30.24 29.84 2b7t n GLN 71 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2b7t n PHE 72 N -0.03 0.00 1.52 2.61 3.72 0.60 -5.01 117.46 120.87 2b7t n PHE 72 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2b7t n PHE 72 Cb 0.31 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.57 2b7t n PHE 72 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36