#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5y s LYS 2 N 0.00 3.45 -0.69 0.03 -0.14 -1.26 -4.92 119.74 116.21 2b5y s LYS 2 Ca 0.00 1.26 -0.06 0.00 -1.36 0.00 0.00 55.97 55.81 2b5y s LYS 2 Cb 0.00 -2.05 -0.14 0.00 -1.68 0.00 0.00 37.83 33.97 2b5y s LYS 2 CO 0.00 -0.71 2.74 1.28 -0.76 0.00 0.00 175.35 177.90 2b5y n LEU 3 N -1.70 5.63 0.00 3.17 4.77 -1.26 -1.80 117.00 125.81 2b5y n LEU 3 Ca 0.09 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.90 2b5y n LEU 3 Cb 0.53 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2b5y n LEU 3 CO 0.45 1.30 0.00 -1.14 -1.33 0.00 0.00 177.39 176.67 2b5y n ARG 4 N 3.30 0.00 -1.78 3.23 3.00 -0.84 -4.65 116.66 118.91 2b5y n ARG 4 Ca 0.49 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.97 2b5y n ARG 4 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.94 2b5y n ARG 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2b5y s GLN 5 N -0.81 2.87 0.58 -0.14 -0.21 -0.74 -4.21 119.66 117.00 2b5y s GLN 5 Ca 0.00 2.13 -0.18 0.00 0.02 0.00 0.00 55.36 57.33 2b5y s GLN 5 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2b5y s GLN 5 CO 0.00 -1.37 1.15 -1.25 -2.12 0.00 0.00 175.29 171.70 2b5y s PRO 6 N -3.14 3.13 0.39 2.91 0.04 -1.26 -0.44 135.00 136.63 2b5y s PRO 6 Ca 0.77 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 2b5y s PRO 6 Cb -0.39 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2b5y s PRO 6 CO 0.43 -1.03 1.44 1.41 0.04 0.00 0.00 177.00 179.29 2b5y s MET 7 N -3.46 4.04 1.00 4.56 1.75 -0.79 -4.86 119.30 121.55 2b5y s MET 7 Ca 0.73 2.46 -0.16 0.00 -1.25 0.00 0.00 55.69 57.48 2b5y s MET 7 Cb -0.25 -2.90 0.20 0.00 2.84 0.00 0.00 34.83 34.72 2b5y s MET 7 CO 0.31 -0.54 1.22 -1.25 -0.65 0.00 0.00 175.02 174.11 2b5y s PRO 8 N -2.14 0.40 -0.16 4.11 0.04 -1.26 -4.98 135.00 131.00 2b5y s PRO 8 Ca 0.54 -0.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 2b5y s PRO 8 Cb -0.44 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2b5y s PRO 8 CO 0.59 -2.62 1.92 -1.21 0.04 0.00 0.00 177.00 175.72 2b5y s GLU 9 N -5.61 3.63 -0.14 4.56 8.01 -1.26 -4.83 118.70 123.07 2b5y s GLU 9 Ca 0.70 2.01 -0.29 0.00 0.01 0.00 0.00 54.97 57.39 2b5y s GLU 9 Cb -0.08 -4.19 -0.01 0.00 -4.31 0.00 0.00 34.13 25.53 2b5y s GLU 9 CO 0.53 -1.52 1.15 -0.51 0.01 0.00 0.00 175.26 174.93 2b5y s LEU 10 N 6.16 4.20 0.07 1.80 1.43 -1.26 -4.06 118.68 127.01 2b5y s LEU 10 Ca 0.86 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 55.50 2b5y s LEU 10 Cb -0.32 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2b5y s LEU 10 CO 0.35 -0.64 0.21 0.42 0.23 0.00 0.00 176.35 176.92 2b5y s THR 11 N 2.80 0.12 -0.21 5.49 -4.23 -1.26 -5.01 115.64 113.34 2b5y s THR 11 Ca 0.52 -1.02 -0.27 0.00 -1.18 0.00 0.00 61.69 59.74 2b5y s THR 11 Cb -0.21 -1.14 0.08 0.00 1.34 0.00 0.00 72.50 72.57 2b5y s THR 11 CO 0.15 -0.56 0.74 -0.83 -0.54 0.00 0.00 174.62 173.58 2b5y s GLY 12 N -2.50 -0.51 0.13 3.99 0.00 -1.26 -4.61 107.32 102.55 2b5y s GLY 12 Ca 0.00 1.88 0.23 0.00 0.00 0.00 0.00 44.72 46.84 2b5y s GLY 12 CO -0.08 1.52 1.07 1.18 0.00 0.00 0.00 173.10 176.79 2b5y n GLU 13 N 2.11 0.45 0.06 2.90 -0.58 -0.26 -4.18 120.64 121.15 2b5y n GLU 13 Ca -0.15 0.06 -0.03 0.00 -0.42 0.00 0.00 57.16 56.62 2b5y n GLU 13 Cb 0.56 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 2b5y n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2b5y h LYS 14 N 0.00 -0.18 0.00 3.49 3.11 -1.39 -3.49 116.57 118.11 2b5y h LYS 14 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2b5y h LYS 14 Cb 0.87 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 2b5y h LYS 14 CO 0.00 -0.12 0.00 0.00 -2.81 0.00 0.00 179.45 176.52 2b5y n ALA 15 N -2.32 0.00 -1.59 5.00 0.00 -1.25 -5.04 120.51 115.31 2b5y n ALA 15 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2b5y n ALA 15 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.59 2b5y n ALA 15 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2b5y s TRP 16 N -2.00 3.01 -0.07 0.00 1.48 -1.26 -1.76 118.94 118.34 2b5y s TRP 16 Ca 0.00 1.26 -0.08 0.00 -1.06 0.00 0.00 56.10 56.22 2b5y s TRP 16 Cb 0.00 -3.00 0.02 0.00 -1.16 0.00 0.00 33.47 29.33 2b5y s TRP 16 CO 0.00 -1.47 0.22 -1.17 -4.06 0.00 0.00 176.95 170.47 2b5y s LEU 17 N -5.63 1.18 0.00 -4.66 2.96 0.43 -4.90 118.68 108.07 2b5y s LEU 17 Ca 0.59 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 2b5y s LEU 17 Cb -0.14 0.80 0.00 0.00 0.50 0.00 0.00 46.19 47.35 2b5y s LEU 17 CO 0.54 -0.15 0.00 0.59 -1.32 0.00 0.00 176.35 176.01 2b5y n ASN 18 N 2.61 -1.90 0.00 3.68 4.13 -1.26 -0.68 115.26 121.84 2b5y n ASN 18 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 2b5y n ASN 18 Cb 0.58 -2.35 0.00 0.00 -1.54 0.00 0.00 39.78 36.46 2b5y n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b5y n GLY 19 N -0.53 3.27 2.81 7.41 0.00 -1.26 -4.32 105.19 112.58 2b5y n GLY 19 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 2b5y n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5y s GLU 20 N -2.00 0.66 0.29 1.61 2.12 -1.26 -3.55 118.70 116.57 2b5y s GLU 20 Ca 0.00 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 2b5y s GLU 20 Cb 0.00 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.48 2b5y s GLU 20 CO 0.00 -0.23 0.49 0.14 -0.54 0.00 0.00 175.26 175.11 2b5y s VAL 21 N 1.62 0.00 0.11 3.70 -7.23 -1.26 -5.06 120.40 112.28 2b5y s VAL 21 Ca -0.00 -1.47 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2b5y s VAL 21 Cb -0.13 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2b5y s VAL 21 CO -0.04 0.00 0.01 0.42 -0.31 0.00 0.00 175.10 175.18 2b5y s THR 22 N -3.53 0.29 0.28 5.32 -4.23 -1.26 -4.97 115.64 107.55 2b5y s THR 22 Ca 0.26 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2b5y s THR 22 Cb -0.01 -1.88 0.30 0.00 1.34 0.00 0.00 72.50 72.25 2b5y s THR 22 CO 0.13 -0.65 1.66 -0.09 -0.54 0.00 0.00 174.62 175.13 2b5y h ARG 23 N 2.92 0.23 -0.10 3.99 2.43 -1.96 -0.55 114.38 121.34 2b5y h ARG 23 Ca -0.35 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 2b5y h ARG 23 Cb 1.18 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2b5y h ARG 23 CO 0.62 0.15 -0.35 0.93 -1.51 0.00 0.00 179.97 179.81 2b5y h GLU 24 N 0.24 0.20 0.16 0.20 3.07 -1.95 -2.43 114.58 114.07 2b5y h GLU 24 Ca 0.54 -0.08 -0.33 0.00 -0.50 0.00 0.00 59.36 58.98 2b5y h GLU 24 Cb 1.06 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2b5y h GLU 24 CO -0.62 0.53 -1.62 1.96 -1.40 0.00 0.00 179.01 177.86 2b5y h GLN 25 N 0.17 0.34 0.00 2.33 4.20 -1.51 -3.40 115.11 117.24 2b5y h GLN 25 Ca 0.02 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2b5y h GLN 25 Cb 0.71 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2b5y h GLN 25 CO 0.05 1.24 -0.88 1.47 -0.67 0.00 0.00 178.83 180.04 2b5y n LEU 26 N -3.54 0.38 -4.81 1.46 -0.00 -0.84 -4.97 117.00 104.68 2b5y n LEU 26 Ca -0.20 -0.34 -0.33 0.00 -0.00 0.00 0.00 56.01 55.14 2b5y n LEU 26 Cb 1.06 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.44 2b5y n LEU 26 CO 0.52 0.09 0.69 -0.63 -0.00 0.00 0.00 177.39 178.07 2b5y s ILE 27 N -2.35 4.04 0.00 1.47 1.01 -0.91 -4.76 121.20 119.69 2b5y s ILE 27 Ca 0.02 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2b5y s ILE 27 Cb 0.09 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2b5y s ILE 27 CO 0.49 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2b5y n GLY 28 N -0.53 0.77 0.00 6.18 0.00 -1.25 -4.95 105.19 105.40 2b5y n GLY 28 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2b5y n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5y n GLU 29 N 0.00 4.67 -4.61 1.61 2.13 -1.26 -4.84 120.64 118.34 2b5y n GLU 29 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2b5y n GLU 29 Cb 0.00 -0.40 -0.12 0.00 0.27 0.00 0.00 31.44 31.19 2b5y n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b5y s LYS 30 N -0.02 2.18 1.07 5.31 -0.14 -1.26 -4.77 119.74 122.11 2b5y s LYS 30 Ca 0.00 -0.92 -0.12 0.00 -1.36 0.00 0.00 55.97 53.56 2b5y s LYS 30 Cb 0.00 -2.26 0.23 0.00 -1.68 0.00 0.00 37.83 34.12 2b5y s LYS 30 CO 0.00 0.55 1.06 -1.25 -0.76 0.00 0.00 175.35 174.95 2b5y s PRO 31 N -1.44 -0.19 -0.01 -1.68 0.04 -1.26 -4.14 135.00 126.31 2b5y s PRO 31 Ca 0.15 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.07 2b5y s PRO 31 Cb -0.11 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2b5y s PRO 31 CO 0.06 -3.24 -0.07 0.99 0.04 0.00 0.00 177.00 174.78 2b5y s THR 32 N -2.64 0.55 -0.14 1.26 2.01 -0.39 -0.63 115.64 115.67 2b5y s THR 32 Ca 0.67 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2b5y s THR 32 Cb -0.23 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2b5y s THR 32 CO 0.62 0.17 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.35 2b5y s LEU 33 N 0.05 2.55 -0.07 4.42 2.96 -0.03 -0.62 118.68 127.94 2b5y s LEU 33 Ca -0.00 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2b5y s LEU 33 Cb -0.05 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2b5y s LEU 33 CO -0.00 0.12 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.45 2b5y s ILE 34 N 0.60 3.73 0.02 6.68 1.01 -0.20 -1.44 121.20 131.59 2b5y s ILE 34 Ca -0.09 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2b5y s ILE 34 Cb -0.16 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2b5y s ILE 34 CO 0.03 0.60 -0.11 -1.38 0.00 0.00 0.00 174.94 174.08 2b5y s HIS 35 N -0.80 0.99 -0.21 3.97 -3.43 -0.97 -1.39 115.29 113.45 2b5y s HIS 35 Ca 0.12 -0.28 -0.08 0.00 -0.80 0.00 0.00 55.06 54.02 2b5y s HIS 35 Cb -0.11 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 2b5y s HIS 35 CO 0.01 -0.00 0.09 -0.06 -2.00 0.00 0.00 174.74 172.78 2b5y s PHE 36 N -0.62 3.25 0.25 0.38 0.40 -0.01 -0.89 117.98 120.75 2b5y s PHE 36 Ca 0.01 0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.33 2b5y s PHE 36 Cb -0.06 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 2b5y s PHE 36 CO 0.00 0.07 0.38 1.67 0.70 0.00 0.00 175.22 178.04 2b5y s TRP 37 N 0.71 0.75 0.06 0.36 1.48 -0.81 -2.43 118.94 119.06 2b5y s TRP 37 Ca 0.05 -1.04 -0.10 0.00 -1.06 0.00 0.00 56.10 53.95 2b5y s TRP 37 Cb -0.13 -0.09 0.00 0.00 -1.16 0.00 0.00 33.47 32.10 2b5y s TRP 37 CO 0.02 -0.92 0.21 -1.12 -4.06 0.00 0.00 176.95 171.08 2b5y s SER 38 N -3.11 0.04 0.37 -2.66 0.01 -1.26 -0.54 113.70 106.54 2b5y s SER 38 Ca 0.29 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.19 2b5y s SER 38 Cb 0.02 0.32 0.71 0.00 0.21 0.00 0.00 66.02 67.27 2b5y s SER 38 CO 0.12 -0.63 1.89 0.16 0.41 0.00 0.00 173.24 175.20 2b5y h ILE 39 N 3.17 1.19 -2.29 1.44 3.07 -1.91 -3.33 117.51 118.85 2b5y h ILE 39 Ca -0.33 -0.80 -0.63 0.00 1.55 0.00 0.00 64.86 64.65 2b5y h ILE 39 Cb 1.20 1.12 -0.40 0.00 -0.27 0.00 0.00 36.82 38.47 2b5y h ILE 39 CO 0.51 0.26 -0.36 -1.20 -1.05 0.00 0.00 178.15 176.30 2b5y n SER 40 N -4.27 4.76 -3.55 2.16 7.64 -1.26 -4.96 113.62 114.13 2b5y n SER 40 Ca 0.00 -3.62 -0.23 0.00 1.01 0.00 0.00 58.87 56.03 2b5y n SER 40 Cb 0.26 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.62 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5y n HIS 42 N 5.29 0.00 0.00 0.00 8.25 -1.26 -1.96 115.22 125.55 2b5y n HIS 42 Ca -0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2b5y n HIS 42 Cb 0.49 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2b5y n HIS 42 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2b5y n LEU 43 N 0.27 0.00 0.21 2.41 -0.00 -1.26 -4.80 117.00 113.83 2b5y n LEU 43 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 2b5y n LEU 43 Cb 0.14 0.00 0.73 0.00 -0.00 0.00 0.00 43.42 44.29 2b5y n LEU 43 CO 0.00 0.00 1.12 0.00 -0.00 0.00 0.00 177.39 178.51 2b5y h LYS 45 N 0.00 0.00 0.01 0.00 5.09 -1.84 0.13 116.57 119.97 2b5y h LYS 45 Ca 0.06 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.44 2b5y h LYS 45 Cb 0.28 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.55 2b5y h LYS 45 CO -0.00 0.00 -2.27 0.39 -2.09 0.00 0.00 179.45 175.48 2b5y n GLU 46 N -2.65 0.68 -0.18 0.07 -0.58 0.48 -4.51 120.64 113.95 2b5y n GLU 46 Ca -0.02 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 2b5y n GLU 46 Cb 0.22 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 2b5y n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b5y h ALA 47 N 0.63 0.69 -0.17 0.62 0.00 -0.77 -2.64 119.26 117.61 2b5y h ALA 47 Ca -0.50 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.14 2b5y h ALA 47 Cb 2.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 2b5y h ALA 47 CO 0.01 0.52 -0.01 0.52 0.00 0.00 0.00 179.25 180.29 2b5y h MET 48 N 0.78 0.04 -0.08 0.00 2.86 -1.05 0.15 114.93 117.61 2b5y h MET 48 Ca 0.14 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2b5y h MET 48 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2b5y h MET 48 CO 0.03 0.02 -0.36 -1.00 1.06 0.00 0.00 176.91 176.66 2b5y h PRO 49 N 0.04 0.17 -0.43 -0.22 0.13 -1.79 -1.09 132.00 128.82 2b5y h PRO 49 Ca 0.08 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 2b5y h PRO 49 Cb 0.11 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 2b5y h PRO 49 CO -0.15 0.52 -0.07 0.37 -0.23 0.00 0.00 178.00 178.44 2b5y h GLN 50 N 0.15 0.80 -0.47 0.86 5.75 -0.97 -1.05 115.11 120.18 2b5y h GLN 50 Ca 0.02 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 2b5y h GLN 50 Cb 0.72 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2b5y h GLN 50 CO 0.05 0.90 0.20 0.28 -2.65 0.00 0.00 178.83 177.62 2b5y h VAL 51 N 0.63 1.20 -0.81 2.39 2.07 -0.61 -1.39 116.25 119.74 2b5y h VAL 51 Ca 0.11 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2b5y h VAL 51 Cb 0.59 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2b5y h VAL 51 CO 0.04 0.23 0.53 -1.13 0.02 0.00 0.00 177.57 177.26 2b5y h ASN 52 N 0.61 0.93 -0.40 0.57 -1.24 -0.92 0.16 115.58 115.29 2b5y h ASN 52 Ca 0.16 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 2b5y h ASN 52 Cb 0.17 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 2b5y h ASN 52 CO -0.02 0.68 0.24 -0.33 -1.29 0.00 0.00 177.43 176.71 2b5y h GLU 53 N 1.09 0.55 -0.78 6.67 4.39 -0.63 -1.93 114.58 123.95 2b5y h GLU 53 Ca 0.29 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2b5y h GLU 53 Cb -0.12 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 2b5y h GLU 53 CO -0.06 0.42 0.45 0.74 -1.16 0.00 0.00 179.01 179.40 2b5y h PHE 54 N 0.53 1.04 0.00 4.33 0.04 -0.18 0.34 116.94 123.05 2b5y h PHE 54 Ca 0.14 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2b5y h PHE 54 Cb 0.01 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.82 2b5y h PHE 54 CO -0.03 0.71 0.00 -2.13 -0.60 0.00 0.00 178.31 176.26 2b5y n ARG 55 N -4.47 0.02 -0.03 1.51 0.00 0.46 -0.74 116.66 113.41 2b5y n ARG 55 Ca 0.07 0.42 -0.07 0.00 -0.00 0.00 0.00 57.85 58.27 2b5y n ARG 55 Cb 0.07 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 30.95 2b5y n ARG 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2b5y n ASP 56 N -1.60 0.59 -0.20 6.15 2.03 -0.72 -4.44 116.55 118.35 2b5y n ASP 56 Ca 0.01 0.10 -0.09 0.00 0.52 0.00 0.00 54.79 55.33 2b5y n ASP 56 Cb 0.07 -0.24 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2b5y n ASP 56 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2b5y h LYS 57 N -0.26 0.99 -0.00 -0.67 1.57 -0.34 -3.35 116.57 114.51 2b5y h LYS 57 Ca -0.17 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2b5y h LYS 57 Cb 1.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2b5y h LYS 57 CO -0.10 0.96 -0.08 0.66 -0.57 0.00 0.00 179.45 180.32 2b5y n TYR 58 N -4.27 0.00 -1.42 -1.35 4.01 0.08 -4.96 117.16 109.24 2b5y n TYR 58 Ca 0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 2b5y n TYR 58 Cb 0.31 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.37 2b5y n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5y n GLN 59 N -0.58 0.42 0.00 -0.72 -0.00 -0.15 -0.59 117.38 115.75 2b5y n GLN 59 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 57.00 57.17 2b5y n GLN 59 Cb 0.06 -1.55 0.00 0.00 -0.00 0.00 0.00 30.24 28.75 2b5y n GLN 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2b5y n ASP 60 N 0.95 0.00 -0.00 2.61 2.03 -1.26 -4.48 116.55 116.40 2b5y n ASP 60 Ca 0.11 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.49 2b5y n ASP 60 Cb 0.47 -1.12 -0.10 0.00 -0.72 0.00 0.00 41.12 39.64 2b5y n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n GLN 61 N -1.93 1.11 -3.75 -0.67 6.02 -0.28 -4.97 117.38 112.90 2b5y n GLN 61 Ca 0.00 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 2b5y n GLN 61 Cb 0.00 -1.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 2b5y n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5y s LEU 62 N -3.54 0.63 0.13 1.08 2.96 0.24 -4.29 118.68 115.91 2b5y s LEU 62 Ca -0.02 0.60 -0.25 0.00 -0.22 0.00 0.00 54.13 54.25 2b5y s LEU 62 Cb 0.10 0.95 -0.07 0.00 0.50 0.00 0.00 46.19 47.67 2b5y s LEU 62 CO 0.59 -0.13 0.76 0.20 -1.32 0.00 0.00 176.35 176.44 2b5y s ASN 63 N 0.64 7.33 -0.04 3.68 0.01 0.20 -4.21 114.94 122.54 2b5y s ASN 63 Ca -0.04 1.58 0.06 0.00 -0.71 0.00 0.00 52.86 53.75 2b5y s ASN 63 Cb -0.05 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 2b5y s ASN 63 CO -0.04 0.18 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.81 2b5y s VAL 64 N -0.93 1.85 0.05 1.60 1.01 -1.26 -0.85 120.40 121.87 2b5y s VAL 64 Ca 0.36 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2b5y s VAL 64 Cb -0.22 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2b5y s VAL 64 CO 0.25 0.52 0.22 0.54 0.00 0.00 0.00 175.10 176.63 2b5y s VAL 65 N -0.26 0.11 0.11 2.92 0.11 -0.52 -4.31 120.40 118.56 2b5y s VAL 65 Ca 0.01 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 2b5y s VAL 65 Cb -0.12 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2b5y s VAL 65 CO 0.02 -0.48 -0.02 0.00 -3.33 0.00 0.00 175.10 171.29 2b5y s ALA 66 N -2.71 0.96 -0.08 1.54 0.00 -0.42 -2.30 121.76 118.74 2b5y s ALA 66 Ca -0.04 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 2b5y s ALA 66 Cb -0.00 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.59 2b5y s ALA 66 CO -0.05 -0.33 0.10 0.08 0.00 0.00 0.00 175.76 175.56 2b5y s VAL 67 N -3.78 -0.16 0.18 0.00 1.01 -0.07 -1.35 120.40 116.24 2b5y s VAL 67 Ca 0.16 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 2b5y s VAL 67 Cb 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 2b5y s VAL 67 CO -0.02 0.07 1.10 -2.28 0.00 0.00 0.00 175.10 173.96 2b5y s HIS 68 N 2.20 3.60 -0.51 5.22 2.46 0.11 -1.92 115.29 126.44 2b5y s HIS 68 Ca 0.04 1.61 0.03 0.00 0.47 0.00 0.00 55.06 57.21 2b5y s HIS 68 Cb -0.13 -3.27 0.14 0.00 -0.13 0.00 0.00 32.58 29.19 2b5y s HIS 68 CO -0.05 -0.60 0.29 1.41 -2.47 0.00 0.00 174.74 173.32 2b5y s MET 69 N -0.45 1.74 0.30 2.88 0.00 0.30 -3.72 119.30 120.35 2b5y s MET 69 Ca 0.49 -2.47 -0.29 0.00 0.00 0.00 0.00 55.69 53.42 2b5y s MET 69 Cb -0.30 -2.87 -0.10 0.00 0.00 0.00 0.00 34.83 31.56 2b5y s MET 69 CO 0.35 -1.17 1.35 -1.25 0.00 0.00 0.00 175.02 174.30 2b5y s PRO 70 N -0.20 4.33 0.00 4.11 0.04 -1.26 -4.57 135.00 137.44 2b5y s PRO 70 Ca 0.19 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2b5y s PRO 70 Cb -0.21 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2b5y s PRO 70 CO -0.03 -0.27 0.00 0.54 0.04 0.00 0.00 177.00 177.28 2b5y n ARG 71 N 1.39 4.51 -3.89 4.56 3.00 -1.26 -4.94 116.66 120.04 2b5y n ARG 71 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.77 2b5y n ARG 71 Cb 0.41 -0.42 -0.06 0.00 0.00 0.00 0.00 32.46 32.39 2b5y n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2b5y s SER 72 N -0.81 -0.07 0.26 0.55 0.01 -1.26 -5.01 113.70 107.37 2b5y s SER 72 Ca 0.00 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.49 2b5y s SER 72 Cb 0.00 0.49 0.32 0.00 0.21 0.00 0.00 66.02 67.04 2b5y s SER 72 CO 0.00 -0.96 1.79 1.05 0.41 0.00 0.00 173.24 175.53 2b5y h GLU 73 N 2.41 0.90 -0.72 12.44 9.09 -2.00 -2.03 114.58 134.67 2b5y h GLU 73 Ca -0.30 -0.20 0.00 0.00 0.05 0.00 0.00 59.36 58.91 2b5y h GLU 73 Cb 1.24 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 2b5y h GLU 73 CO 0.44 0.82 0.00 -3.47 0.05 0.00 0.00 179.01 176.85 2b5y n ASP 74 N -4.25 0.72 -0.46 3.06 2.03 -1.26 -2.97 116.55 113.41 2b5y n ASP 74 Ca 0.04 -1.65 0.00 0.00 0.52 0.00 0.00 54.79 53.70 2b5y n ASP 74 Cb 0.24 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2b5y n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b5y n ASP 75 N 0.01 0.00 0.00 1.67 2.03 -0.77 -4.65 116.55 114.84 2b5y n ASP 75 Ca 0.00 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.57 2b5y n ASP 75 Cb 0.18 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2b5y n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n LEU 76 N 0.00 0.22 -4.57 -2.67 -0.00 -1.16 -4.29 117.00 104.52 2b5y n LEU 76 Ca 0.00 -0.22 -0.44 0.00 -0.00 0.00 0.00 56.01 55.35 2b5y n LEU 76 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.03 2b5y n LEU 76 CO 0.00 0.05 1.85 -0.67 -0.00 0.00 0.00 177.39 178.63 2b5y n ASP 77 N -0.01 3.04 -0.24 1.45 -0.08 -1.26 -4.87 116.55 114.58 2b5y n ASP 77 Ca 0.00 0.21 0.12 0.00 -1.51 0.00 0.00 54.79 53.61 2b5y n ASP 77 Cb 0.24 -1.51 0.40 0.00 2.34 0.00 0.00 41.12 42.59 2b5y n ASP 77 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b5y h PRO 78 N 14.80 0.62 -0.11 -0.67 0.11 -1.97 -1.66 132.00 143.12 2b5y h PRO 78 Ca -0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2b5y h PRO 78 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2b5y h PRO 78 CO 0.98 0.41 -0.11 0.78 -0.21 0.00 0.00 178.00 179.85 2b5y h GLY 79 N 0.64 0.30 2.00 -0.55 0.00 -1.99 -2.57 103.07 100.89 2b5y h GLY 79 Ca 0.42 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2b5y h GLY 79 CO -0.18 0.27 -0.40 1.70 0.00 0.00 0.00 176.54 177.94 2b5y h LYS 80 N -0.12 0.00 0.13 4.80 3.64 -1.80 0.92 116.57 124.15 2b5y h LYS 80 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2b5y h LYS 80 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2b5y h LYS 80 CO 0.03 0.40 -0.06 0.82 -2.27 0.00 0.00 179.45 178.36 2b5y h ILE 81 N 0.00 0.98 -0.09 2.00 2.04 -1.32 0.23 117.51 121.36 2b5y h ILE 81 Ca -0.00 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.40 2b5y h ILE 81 Cb 0.99 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2b5y h ILE 81 CO 0.05 0.12 -0.19 0.50 0.00 0.00 0.00 178.15 178.63 2b5y h LYS 82 N -0.41 -0.25 -0.38 2.37 1.63 -1.23 -1.12 116.57 117.18 2b5y h LYS 82 Ca -0.02 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2b5y h LYS 82 Cb 0.33 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2b5y h LYS 82 CO 0.03 -0.16 0.06 0.93 -3.45 0.00 0.00 179.45 176.85 2b5y h GLU 83 N -0.26 0.63 -0.64 1.90 4.39 -0.71 -0.49 114.58 119.40 2b5y h GLU 83 Ca 0.08 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 2b5y h GLU 83 Cb 0.38 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2b5y h GLU 83 CO -0.24 0.69 0.21 1.15 -1.16 0.00 0.00 179.01 179.66 2b5y h THR 84 N 0.48 1.24 -0.50 1.13 2.02 -0.90 0.94 112.91 117.32 2b5y h THR 84 Ca 0.12 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2b5y h THR 84 Cb 0.37 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2b5y h THR 84 CO 0.01 0.31 0.29 0.00 0.37 0.00 0.00 175.52 176.50 2b5y h ALA 85 N 1.29 1.58 -0.12 6.16 0.00 -0.68 -1.28 119.26 126.21 2b5y h ALA 85 Ca 0.21 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 2b5y h ALA 85 Cb 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b5y h ALA 85 CO -0.01 0.36 -0.81 0.00 0.00 0.00 0.00 179.25 178.79 2b5y h ALA 86 N 1.64 0.34 0.00 0.00 0.00 -0.01 0.12 119.26 121.35 2b5y h ALA 86 Ca 0.18 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2b5y h ALA 86 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2b5y h ALA 86 CO -0.03 0.70 -0.32 0.93 0.00 0.00 0.00 179.25 180.53 2b5y h GLU 87 N 0.47 0.00 -0.35 0.00 4.39 -0.19 -2.68 114.58 116.23 2b5y h GLU 87 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2b5y h GLU 87 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2b5y h GLU 87 CO 0.16 0.32 0.00 0.72 -1.16 0.00 0.00 179.01 179.05 2b5y n HIS 88 N -3.83 0.47 -3.25 4.33 8.25 -0.55 -5.00 115.22 115.65 2b5y n HIS 88 Ca -0.01 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.73 2b5y n HIS 88 Cb 0.40 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.53 2b5y n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5y n ASP 89 N 0.57 -5.87 -3.53 0.41 2.03 -0.70 -4.82 116.55 104.64 2b5y n ASP 89 Ca 0.12 -0.39 -0.40 0.00 0.52 0.00 0.00 54.79 54.64 2b5y n ASP 89 Cb 0.43 -4.71 -0.02 0.00 -0.72 0.00 0.00 41.12 36.10 2b5y n ASP 89 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2b5y n ILE 90 N -4.59 3.68 0.93 5.18 5.41 0.34 -4.72 119.36 125.60 2b5y n ILE 90 Ca -0.06 -2.71 0.11 0.00 1.00 0.00 0.00 62.75 61.08 2b5y n ILE 90 Cb 0.59 -2.58 0.31 0.00 -0.71 0.00 0.00 39.64 37.25 2b5y n ILE 90 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2b5y n THR 91 N 4.50 0.31 -1.07 1.39 -2.24 -1.26 -4.86 114.28 111.04 2b5y n THR 91 Ca 0.62 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 2b5y n THR 91 Cb 0.32 0.56 0.12 0.00 -2.10 0.00 0.00 70.33 69.23 2b5y n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5y s GLN 92 N -1.69 1.77 0.14 -0.78 0.00 -1.26 -4.68 119.66 113.16 2b5y s GLN 92 Ca 0.34 1.38 -0.35 0.00 -0.00 0.00 0.00 55.36 56.73 2b5y s GLN 92 Cb 0.19 -1.83 -0.15 0.00 0.00 0.00 0.00 33.01 31.22 2b5y s GLN 92 CO 0.27 -2.04 1.40 -2.30 0.00 0.00 0.00 175.29 172.62 2b5y n PRO 93 N -3.69 1.58 -4.26 9.60 -0.02 -1.26 -4.39 135.00 132.55 2b5y n PRO 93 Ca 0.11 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 2b5y n PRO 93 Cb 0.52 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2b5y n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b5y s ILE 94 N 0.45 1.31 0.05 4.25 1.01 0.14 -1.31 121.20 127.11 2b5y s ILE 94 Ca 0.79 -1.31 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2b5y s ILE 94 Cb -0.81 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2b5y s ILE 94 CO 0.45 -0.11 -0.22 -0.36 0.00 0.00 0.00 174.94 174.69 2b5y s PHE 95 N -1.14 2.44 0.09 3.97 0.08 -0.46 -0.43 117.98 122.53 2b5y s PHE 95 Ca 0.01 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.77 2b5y s PHE 95 Cb -0.10 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 2b5y s PHE 95 CO 0.03 0.20 -0.12 0.08 -0.10 0.00 0.00 175.22 175.31 2b5y s VAL 96 N -0.88 1.02 -1.36 -0.44 1.01 -0.72 -0.71 120.40 118.31 2b5y s VAL 96 Ca 0.13 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 2b5y s VAL 96 Cb -0.10 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2b5y s VAL 96 CO 0.04 -0.39 0.42 -0.67 0.00 0.00 0.00 175.10 174.49 2b5y n ASP 97 N 0.92 -1.55 0.00 3.32 2.03 -1.26 -1.46 116.55 118.56 2b5y n ASP 97 Ca -0.19 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 53.98 2b5y n ASP 97 Cb 0.56 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.55 2b5y n ASP 97 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2b5y n SER 98 N -2.74 0.00 0.00 1.67 2.88 -1.24 -1.10 113.62 113.09 2b5y n SER 98 Ca -0.24 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2b5y n SER 98 Cb 0.65 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2b5y n SER 98 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2b5y n ASP 99 N -1.21 0.00 0.00 -3.46 2.03 -1.26 -4.45 116.55 108.20 2b5y n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2b5y n ASP 99 Cb 0.00 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2b5y n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n HIS 100 N -0.51 0.00 0.00 -0.67 1.44 -1.26 -4.73 115.22 109.49 2b5y n HIS 100 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b5y n HIS 100 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2b5y n HIS 100 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b5y n ALA 101 N -3.00 0.00 -0.27 1.59 0.00 -1.26 -0.71 120.51 116.86 2b5y n ALA 101 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2b5y n ALA 101 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2b5y n ALA 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2b5y h LEU 102 N 0.00 -0.64 -1.53 0.00 6.46 -1.82 0.15 115.31 117.93 2b5y h LEU 102 Ca 0.00 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2b5y h LEU 102 Cb 0.00 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2b5y h LEU 102 CO 0.00 -0.24 -0.06 0.74 -0.62 0.00 0.00 178.44 178.26 2b5y h THR 103 N 0.02 0.17 0.00 1.05 2.02 -1.23 -1.14 112.91 113.81 2b5y h THR 103 Ca 0.38 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2b5y h THR 103 Cb 0.61 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2b5y h THR 103 CO -0.77 0.06 -1.27 -0.67 0.37 0.00 0.00 175.52 173.24 2b5y n ASP 104 N -3.20 0.64 0.06 4.18 2.03 -0.31 -2.20 116.55 117.74 2b5y n ASP 104 Ca 0.00 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.47 2b5y n ASP 104 Cb 0.31 0.81 -0.13 0.00 -0.72 0.00 0.00 41.12 41.40 2b5y n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y h ALA 105 N 1.98 0.36 0.00 -1.67 0.00 0.43 -3.31 119.26 117.05 2b5y h ALA 105 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2b5y h ALA 105 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2b5y h ALA 105 CO 0.00 1.24 -0.00 1.97 0.00 0.00 0.00 179.25 182.46 2b5y n PHE 106 N -3.35 0.00 -4.23 0.00 -1.74 -0.74 -4.98 117.46 102.42 2b5y n PHE 106 Ca -0.05 -0.46 -0.31 0.00 -0.56 0.00 0.00 57.45 56.07 2b5y n PHE 106 Cb 0.98 -0.05 -0.07 0.00 1.52 0.00 0.00 39.48 41.85 2b5y n PHE 106 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2b5y n GLU 107 N -0.48 -1.66 -1.95 3.97 1.02 -0.94 -4.06 120.64 116.54 2b5y n GLU 107 Ca 0.01 0.19 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 2b5y n GLU 107 Cb 0.30 -4.00 -0.03 0.00 -0.02 0.00 0.00 31.44 27.69 2b5y n GLU 107 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2b5y s ASN 108 N -4.24 5.08 -0.01 1.62 2.47 -1.12 -4.83 114.94 113.90 2b5y s ASN 108 Ca 0.10 0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.76 2b5y s ASN 108 Cb -0.06 -2.53 0.10 0.00 -1.45 0.00 0.00 41.25 37.31 2b5y s ASN 108 CO 0.97 -2.54 0.90 -0.62 -3.72 0.00 0.00 177.10 172.09 2b5y n GLU 109 N 9.12 1.35 -4.38 0.43 1.02 -1.26 -4.91 120.64 122.01 2b5y n GLU 109 Ca 0.26 -0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 56.83 2b5y n GLU 109 Cb 0.52 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 2b5y n GLU 109 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2b5y s TYR 110 N -1.60 1.68 0.15 -0.32 2.02 -1.26 -5.18 117.35 112.84 2b5y s TYR 110 Ca 0.07 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.59 2b5y s TYR 110 Cb 0.04 -1.01 -0.00 0.00 -0.40 0.00 0.00 41.96 40.59 2b5y s TYR 110 CO 0.03 -0.29 0.01 0.28 -1.57 0.00 0.00 175.55 174.01 2b5y n VAL 111 N -0.60 0.00 -3.15 0.71 0.31 -1.26 -4.75 118.33 109.59 2b5y n VAL 111 Ca -0.01 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 2b5y n VAL 111 Cb 0.66 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 2b5y n VAL 111 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2b5y n PRO 112 N -0.37 -0.73 -5.06 5.55 -0.04 -1.17 -4.47 135.00 128.72 2b5y n PRO 112 Ca -0.05 -0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 62.73 2b5y n PRO 112 Cb 0.20 0.65 -0.15 0.00 -0.04 0.00 0.00 33.50 34.16 2b5y n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b5y s ALA 113 N -3.89 2.37 -0.03 0.55 0.00 -1.02 -0.16 121.76 119.58 2b5y s ALA 113 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.86 2b5y s ALA 113 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2b5y s ALA 113 CO 0.00 0.54 -0.03 0.71 0.00 0.00 0.00 175.76 176.98 2b5y s TYR 114 N -0.71 0.53 -0.08 0.00 2.02 -0.04 -0.83 117.35 118.25 2b5y s TYR 114 Ca 0.11 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 2b5y s TYR 114 Cb -0.10 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2b5y s TYR 114 CO 0.01 -0.12 -0.08 0.71 -1.57 0.00 0.00 175.55 174.50 2b5y s TYR 115 N 0.63 1.30 -0.11 2.71 2.02 -0.48 -1.48 117.35 121.93 2b5y s TYR 115 Ca -0.07 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 2b5y s TYR 115 Cb -0.11 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2b5y s TYR 115 CO -0.00 -0.36 -0.19 0.08 -1.57 0.00 0.00 175.55 173.50 2b5y s VAL 116 N 1.21 1.77 -0.02 0.71 1.01 -0.00 -1.03 120.40 124.05 2b5y s VAL 116 Ca -0.05 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2b5y s VAL 116 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2b5y s VAL 116 CO -0.02 0.50 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 2b5y s PHE 117 N 0.74 1.98 1.07 5.22 0.40 0.21 -0.43 117.98 127.16 2b5y s PHE 117 Ca -0.11 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.69 2b5y s PHE 117 Cb -0.16 -1.28 0.22 0.00 0.51 0.00 0.00 43.02 42.32 2b5y s PHE 117 CO 0.01 -0.05 1.09 0.34 0.70 0.00 0.00 175.22 177.32 2b5y s ASP 118 N -0.48 2.04 0.11 1.36 2.15 -0.69 -1.26 116.67 119.91 2b5y s ASP 118 Ca 0.08 1.04 0.09 0.00 0.43 0.00 0.00 52.55 54.18 2b5y s ASP 118 Cb -0.09 -1.60 0.46 0.00 -0.30 0.00 0.00 42.92 41.39 2b5y s ASP 118 CO -0.01 -3.47 1.27 2.29 -0.17 0.00 0.00 175.17 175.08 2b5y n LYS 119 N -4.38 0.05 0.05 4.34 2.85 -1.26 -0.88 118.16 118.94 2b5y n LYS 119 Ca 0.07 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.96 2b5y n LYS 119 Cb 0.58 -1.66 0.44 0.00 -0.65 0.00 0.00 35.03 33.74 2b5y n LYS 119 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2b5y n THR 120 N -1.77 0.66 -1.17 0.58 -2.24 -1.26 -3.88 114.28 105.19 2b5y n THR 120 Ca -0.00 0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 2b5y n THR 120 Cb 0.03 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 2b5y n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b5y n GLY 121 N 0.57 0.83 3.72 3.38 0.00 -0.06 -5.02 105.19 108.62 2b5y n GLY 121 Ca 0.04 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2b5y n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b5y s GLN 122 N -2.24 3.29 0.33 1.61 -1.52 -1.26 -1.88 119.66 118.00 2b5y s GLN 122 Ca 0.00 -0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 52.79 2b5y s GLN 122 Cb 0.00 -2.97 -0.11 0.00 -0.22 0.00 0.00 33.01 29.71 2b5y s GLN 122 CO 0.00 0.63 1.51 -1.17 -0.25 0.00 0.00 175.29 176.01 2b5y s LEU 123 N -0.66 4.34 0.00 2.90 2.96 0.42 -1.70 118.68 126.94 2b5y s LEU 123 Ca 0.11 2.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 2b5y s LEU 123 Cb -0.12 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2b5y s LEU 123 CO 0.02 -0.85 0.00 -1.14 -1.32 0.00 0.00 176.35 173.06 2b5y n ARG 124 N 1.29 2.38 -3.62 1.98 3.00 0.43 -1.99 116.66 120.12 2b5y n ARG 124 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.77 2b5y n ARG 124 Cb 0.39 -0.79 -0.05 0.00 0.00 0.00 0.00 32.46 32.01 2b5y n ARG 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2b5y s HIS 125 N -1.45 -0.29 -0.03 -0.14 2.46 -0.44 -4.94 115.29 110.46 2b5y s HIS 125 Ca 0.00 0.17 -0.04 0.00 0.47 0.00 0.00 55.06 55.66 2b5y s HIS 125 Cb 0.00 0.27 0.01 0.00 -0.13 0.00 0.00 32.58 32.73 2b5y s HIS 125 CO 0.00 -0.64 0.09 0.12 -2.47 0.00 0.00 174.74 171.84 2b5y s PHE 126 N -2.98 -0.06 0.32 3.88 5.36 -1.26 -0.82 117.98 122.42 2b5y s PHE 126 Ca -0.02 0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 2b5y s PHE 126 Cb 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 2b5y s PHE 126 CO -0.06 -0.09 0.46 -0.65 -1.46 0.00 0.00 175.22 173.42 2b5y s GLN 127 N -0.24 1.84 0.25 10.12 -1.52 -0.55 -5.03 119.66 124.53 2b5y s GLN 127 Ca -0.03 -1.68 0.02 0.00 -1.95 0.00 0.00 55.36 51.72 2b5y s GLN 127 Cb -0.02 0.44 -0.04 0.00 -0.22 0.00 0.00 33.01 33.17 2b5y s GLN 127 CO 0.00 -0.76 0.19 0.00 -0.25 0.00 0.00 175.29 174.47 2b5y s ALA 128 N -3.22 1.42 0.99 6.09 0.00 -1.26 -0.86 121.76 124.92 2b5y s ALA 128 Ca 0.30 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.30 2b5y s ALA 128 Cb -0.00 1.42 0.14 0.00 0.00 0.00 0.00 23.12 24.68 2b5y s ALA 128 CO 0.18 -0.62 0.84 0.41 0.00 0.00 0.00 175.76 176.58 2b5y n GLY 129 N -0.40 -1.26 2.94 0.00 0.00 0.77 -4.97 105.19 102.26 2b5y n GLY 129 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 2b5y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5y n GLY 130 N 0.86 0.56 3.47 -0.02 0.00 -1.26 -5.01 105.19 103.78 2b5y n GLY 130 Ca 0.08 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.58 2b5y n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b5y n SER 131 N -0.99 1.95 0.00 1.61 7.64 -1.26 -0.79 113.62 121.78 2b5y n SER 131 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2b5y n SER 131 Cb 0.44 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2b5y n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b5y n GLY 132 N 6.45 0.33 2.24 0.23 0.00 -1.26 -4.04 105.19 109.14 2b5y n GLY 132 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2b5y n GLY 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2b5y n MET 133 N -1.88 -2.70 0.24 1.61 3.85 0.03 -4.82 117.12 113.44 2b5y n MET 133 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.70 56.78 2b5y n MET 133 Cb 0.02 -4.12 0.60 0.00 -1.05 0.00 0.00 33.22 28.67 2b5y n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5y h LYS 134 N 0.00 0.00 -0.26 3.17 3.64 -1.86 -1.73 116.57 119.52 2b5y h LYS 134 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2b5y h LYS 134 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2b5y h LYS 134 CO 0.00 0.14 0.34 0.00 -2.27 0.00 0.00 179.45 177.66 2b5y h MET 135 N 0.00 0.00 -0.65 1.90 -0.00 -1.89 -1.22 114.93 113.07 2b5y h MET 135 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 2b5y h MET 135 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.85 2b5y h MET 135 CO 0.02 0.00 0.18 1.25 -0.00 0.00 0.00 176.91 178.36 2b5y h LEU 136 N 0.00 0.95 -0.91 -0.10 5.85 -1.70 -1.37 115.31 118.02 2b5y h LEU 136 Ca 0.12 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2b5y h LEU 136 Cb 0.79 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 2b5y h LEU 136 CO -0.00 0.90 0.54 -0.08 -0.34 0.00 0.00 178.44 179.46 2b5y h GLU 137 N 0.97 0.82 -0.26 1.25 4.81 -1.41 -0.12 114.58 120.64 2b5y h GLU 137 Ca 0.21 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 2b5y h GLU 137 Cb 0.31 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2b5y h GLU 137 CO -0.00 0.55 -0.56 0.87 -0.73 0.00 0.00 179.01 179.13 2b5y h LYS 138 N 0.85 0.83 -0.61 1.92 1.57 -1.39 -0.17 116.57 119.57 2b5y h LYS 138 Ca 0.46 -0.55 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2b5y h LYS 138 Cb 0.49 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2b5y h LYS 138 CO -0.28 1.18 0.05 0.00 -0.57 0.00 0.00 179.45 179.83 2b5y h ARG 139 N 0.59 1.04 0.12 3.15 2.47 -0.42 0.16 114.38 121.49 2b5y h ARG 139 Ca 0.00 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2b5y h ARG 139 Cb 1.17 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 2b5y h ARG 139 CO 0.12 1.00 -0.11 0.28 0.56 0.00 0.00 179.97 181.82 2b5y h VAL 140 N 0.94 0.75 -0.11 2.04 2.07 -1.04 -1.75 116.25 119.15 2b5y h VAL 140 Ca 0.18 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 2b5y h VAL 140 Cb 0.50 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2b5y h VAL 140 CO 0.02 0.00 -0.19 0.78 0.02 0.00 0.00 177.57 178.20 2b5y h ASN 141 N -0.26 0.17 -0.38 0.57 2.35 -0.34 0.42 115.58 118.13 2b5y h ASN 141 Ca 0.00 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 2b5y h ASN 141 Cb 0.24 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2b5y h ASN 141 CO -0.02 0.38 -0.22 0.03 -1.65 0.00 0.00 177.43 175.94 2b5y h ARG 142 N 0.17 0.82 -0.51 0.81 -0.00 -0.50 0.23 114.38 115.40 2b5y h ARG 142 Ca 0.03 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.98 59.11 2b5y h ARG 142 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.38 2b5y h ARG 142 CO 0.03 1.01 0.22 0.28 0.00 0.00 0.00 179.97 181.51 2b5y h VAL 143 N 0.62 1.18 -0.56 2.04 2.07 -0.34 -0.33 116.25 120.93 2b5y h VAL 143 Ca 0.08 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 2b5y h VAL 143 Cb 0.79 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2b5y h VAL 143 CO 0.06 0.22 -0.04 -0.07 0.02 0.00 0.00 177.57 177.77 2b5y h LEU 144 N 0.72 0.98 -0.97 2.57 3.38 -0.41 -0.41 115.31 121.16 2b5y h LEU 144 Ca 0.18 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2b5y h LEU 144 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2b5y h LEU 144 CO -0.02 1.05 -0.13 0.00 0.09 0.00 0.00 178.44 179.43 2b5y h ALA 145 N 1.04 1.14 0.00 1.53 0.00 -0.42 -2.89 119.26 119.66 2b5y h ALA 145 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2b5y h ALA 145 Cb 0.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2b5y h ALA 145 CO 0.03 0.54 -0.18 0.93 0.00 0.00 0.00 179.25 180.57 2b5y h GLU 146 N 0.54 0.00 -7.03 0.00 4.39 -0.71 -3.46 114.58 108.31 2b5y h GLU 146 Ca 0.10 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.24 2b5y h GLU 146 Cb 0.55 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.33 2b5y h GLU 146 CO 0.03 0.03 0.62 2.41 -1.16 0.00 0.00 179.01 180.95 2b5y n THR 147 N -3.05 3.68 0.00 1.13 -1.04 -0.20 -5.07 114.28 109.73 2b5y n THR 147 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2b5y n THR 147 Cb 0.55 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 2b5y n THR 147 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81