#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8y s SER 2 N 0.00 5.79 -0.28 1.61 0.01 -1.26 -5.02 113.70 114.56 2d8y s SER 2 Ca 0.00 -2.42 -0.25 0.00 1.31 0.00 0.00 55.95 54.59 2d8y s SER 2 Cb 0.00 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.32 2d8y s SER 2 CO 0.00 -0.55 0.88 -0.55 0.41 0.00 0.00 173.24 173.42 2d8y s SER 3 N 1.87 -0.60 -0.41 2.44 0.15 -1.26 -5.12 113.70 110.77 2d8y s SER 3 Ca 0.12 1.16 0.04 0.00 0.70 0.00 0.00 55.95 57.97 2d8y s SER 3 Cb -0.20 1.18 0.16 0.00 -1.71 0.00 0.00 66.02 65.45 2d8y s SER 3 CO -0.04 -0.20 0.38 -0.83 1.20 0.00 0.00 173.24 173.75 2d8y s GLY 4 N 0.31 0.58 0.21 9.45 0.00 -1.26 -5.13 107.32 111.48 2d8y s GLY 4 Ca 0.02 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 43.01 2d8y s GLY 4 CO -0.03 2.44 -0.14 -1.35 0.00 0.00 0.00 173.10 174.02 2d8y s SER 5 N 0.60 2.63 -0.21 1.64 1.04 -1.26 -5.14 113.70 112.99 2d8y s SER 5 Ca 0.27 -1.03 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 2d8y s SER 5 Cb -0.05 -0.14 0.10 0.00 0.10 0.00 0.00 66.02 66.03 2d8y s SER 5 CO -0.11 -0.17 0.23 -0.94 0.98 0.00 0.00 173.24 173.24 2d8y s SER 6 N -3.33 1.38 -1.34 7.02 1.04 -1.26 -5.07 113.70 112.14 2d8y s SER 6 Ca 0.23 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 2d8y s SER 6 Cb -0.01 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.63 2d8y s SER 6 CO 0.07 -0.33 1.90 0.61 0.98 0.00 0.00 173.24 176.47 2d8y n GLY 7 N 5.32 3.81 2.94 7.32 0.00 -1.26 -4.84 105.19 118.48 2d8y n GLY 7 Ca -0.05 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 2d8y n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8y s MET 8 N 2.69 0.28 -0.20 1.61 -1.94 -1.26 -5.14 119.30 115.34 2d8y s MET 8 Ca 0.47 0.56 -0.27 0.00 -1.71 0.00 0.00 55.69 54.74 2d8y s MET 8 Cb 0.08 -0.47 0.08 0.00 2.01 0.00 0.00 34.83 36.53 2d8y s MET 8 CO -0.01 -0.54 0.78 -1.59 -0.01 0.00 0.00 175.02 173.66 2d8y s LYS 9 N 2.49 0.83 0.08 2.03 -2.85 -1.26 -5.18 119.74 115.87 2d8y s LYS 9 Ca 0.08 0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 55.65 2d8y s LYS 9 Cb -0.15 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 2d8y s LYS 9 CO -0.13 -0.17 0.08 -0.06 0.10 0.00 0.00 175.35 175.16 2d8y s PHE 10 N -0.24 0.41 1.05 1.78 0.40 -1.26 -5.15 117.98 114.97 2d8y s PHE 10 Ca -0.03 -0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 55.21 2d8y s PHE 10 Cb -0.03 -0.26 -0.01 0.00 0.51 0.00 0.00 43.02 43.23 2d8y s PHE 10 CO 0.02 -0.47 -0.40 1.04 0.70 0.00 0.00 175.22 176.11 2d8y n GLN 11 N 0.01 -0.79 -0.89 0.44 6.02 -1.26 -4.88 117.38 116.03 2d8y n GLN 11 Ca -0.13 -0.21 -0.37 0.00 -0.01 0.00 0.00 57.00 56.28 2d8y n GLN 11 Cb 0.62 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.48 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d8y n ALA 12 N -3.83 -5.26 -2.09 -1.58 0.00 -1.19 -4.75 120.51 101.81 2d8y n ALA 12 Ca 0.01 -1.37 -0.43 0.00 0.00 0.00 0.00 53.44 51.65 2d8y n ALA 12 Cb 0.63 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 2d8y n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2d8y s PRO 13 N -2.47 3.36 -0.90 0.00 0.04 -1.26 -3.12 135.00 130.64 2d8y s PRO 13 Ca 0.42 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2d8y s PRO 13 Cb 0.04 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2d8y s PRO 13 CO 0.66 -1.83 0.76 0.00 0.04 0.00 0.00 177.00 176.63 2d8y n ALA 14 N 10.06 -1.31 -3.59 8.56 0.00 -1.26 -5.00 120.51 127.97 2d8y n ALA 14 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.72 2d8y n ALA 14 Cb 0.47 -2.55 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 2d8y n ALA 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d8y s ARG 15 N -5.27 0.02 0.12 0.00 1.70 -1.18 -5.17 118.95 109.16 2d8y s ARG 15 Ca 0.13 -0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.40 2d8y s ARG 15 Cb -0.06 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 2d8y s ARG 15 CO 0.53 -0.01 0.22 -1.21 -1.08 0.00 0.00 175.30 173.75 2d8y s GLU 16 N -2.02 3.30 0.04 3.89 8.01 -1.26 -3.15 118.70 127.52 2d8y s GLU 16 Ca 0.14 -0.60 0.02 0.00 0.01 0.00 0.00 54.97 54.53 2d8y s GLU 16 Cb 0.04 -2.92 -0.02 0.00 -4.31 0.00 0.00 34.13 26.92 2d8y s GLU 16 CO -0.05 0.55 -0.07 0.99 0.01 0.00 0.00 175.26 176.69 2d8y s THR 17 N -1.64 0.47 0.18 3.63 2.01 -1.26 -1.33 115.64 117.69 2d8y s THR 17 Ca 0.34 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 2d8y s THR 17 Cb -0.12 -0.63 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 2d8y s THR 17 CO 0.27 -0.44 1.17 0.00 -0.69 0.00 0.00 174.62 174.92 2d8y n VAL 19 N 2.48 0.86 0.01 0.00 0.24 -0.99 -1.62 118.33 119.31 2d8y n VAL 19 Ca 0.04 -0.54 -0.02 0.00 -2.04 0.00 0.00 64.34 61.78 2d8y n VAL 19 Cb 0.45 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.72 2d8y n VAL 19 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2d8y n GLU 20 N 0.38 0.05 -0.00 7.34 -0.58 -1.26 -4.82 120.64 121.75 2d8y n GLU 20 Ca 0.12 0.02 0.09 0.00 -0.42 0.00 0.00 57.16 56.97 2d8y n GLU 20 Cb 0.49 -0.58 -0.11 0.00 -0.57 0.00 0.00 31.44 30.66 2d8y n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8y n GLN 22 N -1.60 -3.81 -4.82 0.00 1.13 -0.64 -5.01 117.38 102.63 2d8y n GLN 22 Ca 0.02 0.57 -0.25 0.00 -1.94 0.00 0.00 57.00 55.40 2d8y n GLN 22 Cb 0.33 -4.67 -0.16 0.00 0.11 0.00 0.00 30.24 25.86 2d8y n GLN 22 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d8y s LYS 23 N -4.70 1.53 -0.65 -1.09 3.01 -1.25 -4.80 119.74 111.78 2d8y s LYS 23 Ca 0.06 -0.61 -0.33 0.00 -1.01 0.00 0.00 55.97 54.09 2d8y s LYS 23 Cb -0.01 -1.42 -0.15 0.00 -1.01 0.00 0.00 37.83 35.24 2d8y s LYS 23 CO 0.49 0.32 2.43 2.41 0.51 0.00 0.00 175.35 181.51 2d8y n THR 24 N 2.86 0.03 -2.47 2.17 -1.04 -1.26 -0.93 114.28 113.64 2d8y n THR 24 Ca -0.16 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 2d8y n THR 24 Cb 0.54 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2d8y n THR 24 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2d8y s VAL 25 N 8.94 4.22 0.59 12.58 1.01 -0.44 -4.89 120.40 142.40 2d8y s VAL 25 Ca 1.18 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 64.66 2d8y s VAL 25 Cb -0.94 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 31.42 2d8y s VAL 25 CO 0.46 0.07 0.94 -0.31 0.00 0.00 0.00 175.10 176.25 2d8y s TYR 26 N 1.59 3.43 -2.00 5.22 1.51 -1.26 -4.48 117.35 121.36 2d8y s TYR 26 Ca 0.57 0.92 0.09 0.00 -1.01 0.00 0.00 57.07 57.63 2d8y s TYR 26 Cb -0.26 -2.69 0.53 0.00 -0.11 0.00 0.00 41.96 39.43 2d8y s TYR 26 CO 0.26 -0.72 0.97 -0.35 -1.11 0.00 0.00 175.55 174.60 2d8y n PRO 27 N -2.62 0.49 -0.04 -1.71 -0.04 -1.26 -1.87 135.00 127.95 2d8y n PRO 27 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2d8y n PRO 27 Cb 0.56 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2d8y n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n MET 28 N -0.78 1.20 -0.53 0.54 0.00 -1.26 -4.56 117.12 111.74 2d8y n MET 28 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 57.70 57.77 2d8y n MET 28 Cb 0.03 -1.32 0.18 0.00 0.00 0.00 0.00 33.22 32.10 2d8y n MET 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2d8y n GLU 29 N -2.23 1.38 -2.94 3.17 0.28 -0.90 -4.97 120.64 114.43 2d8y n GLU 29 Ca -0.12 -3.00 -0.44 0.00 -0.16 0.00 0.00 57.16 53.44 2d8y n GLU 29 Cb 0.64 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 32.01 2d8y n GLU 29 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2d8y s ARG 30 N -2.88 3.28 -0.34 3.44 3.52 -0.78 -3.87 118.95 121.32 2d8y s ARG 30 Ca 0.35 -1.29 -0.12 0.00 -0.13 0.00 0.00 55.73 54.54 2d8y s ARG 30 Cb 0.34 -4.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.24 2d8y s ARG 30 CO -0.05 -1.74 0.21 -1.17 -0.81 0.00 0.00 175.30 171.75 2d8y s LEU 31 N 3.22 4.44 -0.03 -0.88 0.20 0.34 -4.93 118.68 121.04 2d8y s LEU 31 Ca 0.24 -0.53 -0.30 0.00 0.69 0.00 0.00 54.13 54.22 2d8y s LEU 31 Cb -0.14 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 2d8y s LEU 31 CO 0.02 -0.25 1.30 -0.22 -0.29 0.00 0.00 176.35 176.91 2d8y s LEU 32 N 1.67 4.30 -0.21 -0.68 1.98 -1.26 -0.09 118.68 124.39 2d8y s LEU 32 Ca 0.05 1.96 -0.04 0.00 -2.89 0.00 0.00 54.13 53.22 2d8y s LEU 32 Cb -0.18 -3.56 0.10 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO 0.09 -0.65 0.24 0.00 -1.89 0.00 0.00 176.35 174.14 2d8y s ALA 33 N 2.27 -0.37 -1.09 5.97 0.00 0.19 -4.90 121.76 123.83 2d8y s ALA 33 Ca 0.60 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2d8y s ALA 33 Cb -0.28 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2d8y s ALA 33 CO 0.24 -1.20 0.91 0.09 0.00 0.00 0.00 175.76 175.80 2d8y n ASN 34 N 5.32 -2.35 -3.70 0.00 4.13 -1.26 -2.45 115.26 114.95 2d8y n ASN 34 Ca -0.05 -0.55 -0.28 0.00 1.68 0.00 0.00 54.58 55.38 2d8y n ASN 34 Cb 0.50 -4.66 0.03 0.00 -1.54 0.00 0.00 39.78 34.11 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2d8y n GLN 35 N -3.88 -5.49 -3.76 3.52 6.02 -1.26 -4.96 117.38 107.57 2d8y n GLN 35 Ca -0.24 0.65 -0.13 0.00 -0.01 0.00 0.00 57.00 57.26 2d8y n GLN 35 Cb 0.64 -5.53 -0.09 0.00 1.02 0.00 0.00 30.24 26.28 2d8y n GLN 35 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2d8y s GLN 36 N -6.40 0.63 -0.16 -1.09 -0.21 -1.02 -5.13 119.66 106.27 2d8y s GLN 36 Ca 0.58 -0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.59 2d8y s GLN 36 Cb -0.29 0.28 -0.01 0.00 1.00 0.00 0.00 33.01 34.00 2d8y s GLN 36 CO 0.72 -0.16 1.11 0.08 -2.12 0.00 0.00 175.29 174.91 2d8y s VAL 37 N -1.08 4.55 0.10 1.09 1.01 -1.26 -0.64 120.40 124.16 2d8y s VAL 37 Ca -0.11 1.86 0.06 0.00 0.00 0.00 0.00 61.98 63.79 2d8y s VAL 37 Cb -0.05 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2d8y s VAL 37 CO 0.04 -0.11 -0.17 -0.36 0.00 0.00 0.00 175.10 174.51 2d8y s PHE 38 N 2.88 1.47 -0.14 5.22 0.08 0.87 -2.35 117.98 125.99 2d8y s PHE 38 Ca 0.49 -0.46 -0.23 0.00 0.12 0.00 0.00 56.93 56.85 2d8y s PHE 38 Cb -0.19 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2d8y s PHE 38 CO 0.13 0.13 0.70 -1.01 -0.10 0.00 0.00 175.22 175.07 2d8y s HIS 39 N -1.44 3.46 0.63 0.36 3.76 -1.26 -0.51 115.29 120.29 2d8y s HIS 39 Ca 0.04 1.11 0.17 0.00 -0.15 0.00 0.00 55.06 56.23 2d8y s HIS 39 Cb -0.09 -2.85 0.62 0.00 1.11 0.00 0.00 32.58 31.38 2d8y s HIS 39 CO 0.03 -0.09 1.23 0.82 -0.85 0.00 0.00 174.74 175.88 2d8y h ILE 40 N 5.03 0.01 0.00 0.60 5.03 -1.91 0.20 117.51 126.47 2d8y h ILE 40 Ca -0.34 0.00 -0.22 0.00 -0.12 0.00 0.00 64.86 64.18 2d8y h ILE 40 Cb 1.16 0.05 -0.03 0.00 -3.03 0.00 0.00 36.82 34.96 2d8y h ILE 40 CO 0.78 0.00 -1.53 -1.20 -0.68 0.00 0.00 178.15 175.52 2d8y n SER 41 N -2.98 1.91 -0.31 1.72 7.64 -1.26 -4.40 113.62 115.93 2d8y n SER 41 Ca 0.13 0.41 0.17 0.00 1.01 0.00 0.00 58.87 60.59 2d8y n SER 41 Cb 1.27 -0.84 0.42 0.00 -1.01 0.00 0.00 64.21 64.04 2d8y n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8y n PHE 43 N -4.66 0.52 -4.03 0.00 7.35 0.41 -4.81 117.46 112.23 2d8y n PHE 43 Ca 0.22 0.12 -0.10 0.00 -0.76 0.00 0.00 57.45 56.93 2d8y n PHE 43 Cb 0.67 -1.63 -0.07 0.00 0.35 0.00 0.00 39.48 38.79 2d8y n PHE 43 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2d8y s ARG 44 N 8.04 1.27 0.17 -4.13 0.52 -1.26 -1.52 118.95 122.05 2d8y s ARG 44 Ca 1.23 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 2d8y s ARG 44 Cb -0.77 0.38 -0.08 0.00 0.52 0.00 0.00 34.95 35.01 2d8y s ARG 44 CO 0.43 -0.47 1.09 0.00 0.02 0.00 0.00 175.30 176.36 2d8y n SER 46 N 2.38 0.84 0.02 0.00 3.41 -0.14 -0.24 113.62 119.88 2d8y n SER 46 Ca 0.03 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2d8y n SER 46 Cb 0.46 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8y n TYR 47 N -0.03 -0.15 0.13 7.33 4.19 -1.26 -4.86 117.16 122.51 2d8y n TYR 47 Ca 0.00 0.03 0.08 0.00 3.31 0.00 0.00 57.90 61.32 2d8y n TYR 47 Cb 0.21 0.10 -0.12 0.00 0.49 0.00 0.00 39.34 40.03 2d8y n TYR 47 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2d8y n ASN 49 N -1.93 -2.32 -4.75 0.00 2.85 0.67 -4.95 115.26 104.82 2d8y n ASN 49 Ca -0.02 -0.45 -0.31 0.00 -0.11 0.00 0.00 54.58 53.69 2d8y n ASN 49 Cb 0.39 -3.86 -0.07 0.00 1.24 0.00 0.00 39.78 37.48 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2d8y s ASN 50 N -3.92 5.41 0.33 1.20 0.01 -1.26 -4.76 114.94 111.96 2d8y s ASN 50 Ca 0.04 -0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 51.89 2d8y s ASN 50 Cb -0.02 -1.44 -0.11 0.00 0.41 0.00 0.00 41.25 40.09 2d8y s ASN 50 CO 0.53 0.21 1.55 -0.54 -1.51 0.00 0.00 177.10 177.34 2d8y s LYS 51 N -2.13 4.11 0.19 -0.60 -0.14 -1.26 -2.48 119.74 117.42 2d8y s LYS 51 Ca 0.26 2.59 0.03 0.00 -1.36 0.00 0.00 55.97 57.49 2d8y s LYS 51 Cb -0.12 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 2d8y s LYS 51 CO 0.18 -0.60 0.10 1.28 -0.76 0.00 0.00 175.35 175.55 2d8y n LEU 52 N 1.42 0.00 0.00 3.17 4.77 -0.58 -4.93 117.00 120.85 2d8y n LEU 52 Ca 0.05 -1.55 -0.08 0.00 -0.03 0.00 0.00 56.01 54.40 2d8y n LEU 52 Cb 0.38 0.62 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 2d8y n LEU 52 CO 0.64 -0.25 0.34 -1.20 -1.33 0.00 0.00 177.39 175.59 2d8y n SER 53 N -2.00 -1.59 -1.71 -1.43 7.64 -1.26 -4.90 113.62 108.36 2d8y n SER 53 Ca -0.00 -2.28 -0.03 0.00 1.01 0.00 0.00 58.87 57.57 2d8y n SER 53 Cb 0.30 2.70 -0.04 0.00 -1.01 0.00 0.00 64.21 66.16 2d8y n SER 53 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2d8y n LEU 54 N 0.00 4.65 0.00 -3.43 4.77 -1.26 -3.01 117.00 118.71 2d8y n LEU 54 Ca -0.05 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 2d8y n LEU 54 Cb 0.45 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2d8y n LEU 54 CO 0.21 1.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2d8y n GLY 55 N 1.86 0.02 1.03 -0.72 0.00 -1.26 -4.93 105.19 101.19 2d8y n GLY 55 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2d8y n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2d8y n THR 56 N -0.59 1.72 -4.15 2.61 5.66 -1.17 -5.06 114.28 113.30 2d8y n THR 56 Ca 0.00 -2.84 -0.23 0.00 -3.05 0.00 0.00 64.05 57.92 2d8y n THR 56 Cb 0.00 -0.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2d8y n THR 56 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2d8y s TYR 57 N -2.59 2.71 -0.30 1.09 1.13 -1.16 -3.79 117.35 114.44 2d8y s TYR 57 Ca 0.38 -0.35 -0.14 0.00 -1.41 0.00 0.00 57.07 55.55 2d8y s TYR 57 Cb 0.38 -1.55 0.15 0.00 -1.10 0.00 0.00 41.96 39.84 2d8y s TYR 57 CO -0.08 0.40 0.90 0.00 -2.51 0.00 0.00 175.55 174.26 2d8y s ALA 58 N -2.41 -2.49 0.21 9.51 0.00 -0.55 -4.84 121.76 121.19 2d8y s ALA 58 Ca 0.36 2.15 0.09 0.00 0.00 0.00 0.00 51.96 54.56 2d8y s ALA 58 Cb -0.03 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2d8y s ALA 58 CO 0.22 -0.89 -0.07 0.45 0.00 0.00 0.00 175.76 175.47 2d8y s SER 59 N 2.45 4.32 0.03 0.00 0.15 -1.26 0.18 113.70 119.58 2d8y s SER 59 Ca -0.04 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2d8y s SER 59 Cb -0.07 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2d8y s SER 59 CO -0.18 0.07 0.00 -0.11 1.20 0.00 0.00 173.24 174.22 2d8y n LEU 60 N -0.30 0.20 -2.18 3.45 7.94 -1.20 -4.89 117.00 120.01 2d8y n LEU 60 Ca -0.09 0.05 -0.28 0.00 -1.11 0.00 0.00 56.01 54.58 2d8y n LEU 60 Cb 0.57 -0.04 0.04 0.00 0.53 0.00 0.00 43.42 44.51 2d8y n LEU 60 CO 0.37 -0.56 0.61 1.41 -1.11 0.00 0.00 177.39 178.11 2d8y n HIS 61 N -2.73 2.95 0.00 1.96 8.25 -1.26 -4.88 115.22 119.51 2d8y n HIS 61 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 57.72 54.93 2d8y n HIS 61 Cb 0.00 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.43 2d8y n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d8y n GLY 62 N -0.75 3.00 3.71 -1.41 0.00 -1.26 -5.03 105.19 103.44 2d8y n GLY 62 Ca 0.50 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 2d8y n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d8y s ARG 63 N 0.00 4.47 0.67 1.61 0.52 -1.26 -5.03 118.95 119.93 2d8y s ARG 63 Ca 0.00 1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 2d8y s ARG 63 Cb 0.00 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 2d8y s ARG 63 CO 0.00 0.01 1.06 0.42 0.02 0.00 0.00 175.30 176.81 2d8y s ILE 64 N 0.94 3.94 0.01 1.52 -1.09 -1.26 -3.26 121.20 122.00 2d8y s ILE 64 Ca 0.42 0.71 -0.21 0.00 -2.23 0.00 0.00 60.65 59.35 2d8y s ILE 64 Cb -0.19 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2d8y s ILE 64 CO 0.21 -0.74 0.46 -0.31 -1.23 0.00 0.00 174.94 173.33 2d8y s TYR 65 N -2.86 -0.35 0.13 3.97 1.51 0.13 -0.97 117.35 118.91 2d8y s TYR 65 Ca 0.60 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.89 2d8y s TYR 65 Cb -0.15 0.25 -0.07 0.00 -0.11 0.00 0.00 41.96 41.88 2d8y s TYR 65 CO 0.49 -0.55 0.69 0.00 -1.11 0.00 0.00 175.55 175.07 2d8y n LYS 67 N 1.58 -0.14 -0.01 0.00 4.01 -1.25 0.25 118.16 122.59 2d8y n LYS 67 Ca -0.07 0.98 -0.06 0.00 -0.51 0.00 0.00 58.31 58.65 2d8y n LYS 67 Cb 0.50 -1.46 -0.04 0.00 -0.51 0.00 0.00 35.03 33.52 2d8y n LYS 67 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2d8y h PRO 68 N 0.00 -0.21 -0.81 1.97 0.11 -1.93 0.23 132.00 131.36 2d8y h PRO 68 Ca 0.23 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.36 2d8y h PRO 68 Cb 0.39 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 2d8y h PRO 68 CO -0.63 -0.14 0.53 0.45 -0.21 0.00 0.00 178.00 178.00 2d8y h HIS 69 N -0.22 1.03 0.04 0.65 3.86 -1.33 -2.45 115.15 116.73 2d8y h HIS 69 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2d8y h HIS 69 Cb 0.27 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2d8y h HIS 69 CO -0.53 0.65 -0.04 0.35 0.86 0.00 0.00 177.93 179.22 2d8y h PHE 70 N 1.10 -0.12 0.00 2.45 3.04 0.29 0.41 116.94 124.12 2d8y h PHE 70 Ca 0.30 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.25 2d8y h PHE 70 Cb -0.12 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2d8y h PHE 70 CO -0.01 -0.05 0.48 -0.97 -2.02 0.00 0.00 178.31 175.74 2d8y h ASN 71 N -0.08 0.00 0.00 0.41 -1.24 -0.56 0.87 115.58 114.98 2d8y h ASN 71 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2d8y h ASN 71 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2d8y h ASN 71 CO -0.01 0.00 0.00 1.67 -1.29 0.00 0.00 177.43 177.80 2d8y n GLN 72 N -2.80 0.00 0.01 6.67 7.27 -0.50 -1.86 117.38 126.18 2d8y n GLN 72 Ca -0.02 0.40 0.03 0.00 0.07 0.00 0.00 57.00 57.49 2d8y n GLN 72 Cb 0.52 -0.90 0.41 0.00 2.41 0.00 0.00 30.24 32.68 2d8y n GLN 72 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2d8y h LEU 73 N 0.00 0.45 0.06 1.69 3.38 0.15 -3.24 115.31 117.79 2d8y h LEU 73 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2d8y h LEU 73 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2d8y h LEU 73 CO 0.00 0.36 -0.03 -0.26 0.09 0.00 0.00 178.44 178.61 2d8y h PHE 74 N 0.52 -0.07 -4.44 1.13 -1.00 0.61 -3.47 116.94 110.22 2d8y h PHE 74 Ca 0.14 -0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.45 2d8y h PHE 74 Cb 0.01 0.02 0.12 0.00 3.61 0.00 0.00 35.95 39.71 2d8y h PHE 74 CO 0.00 -0.04 0.38 0.21 -1.61 0.00 0.00 178.31 177.25 2d8y s LYS 75 N -1.64 1.55 -0.29 1.51 2.47 -0.77 -5.03 119.74 117.55 2d8y s LYS 75 Ca -0.01 0.09 -0.01 0.00 -1.56 0.00 0.00 55.97 54.48 2d8y s LYS 75 Cb 0.00 -1.90 0.18 0.00 -1.46 0.00 0.00 37.83 34.64 2d8y s LYS 75 CO 0.03 -1.88 0.55 0.45 0.16 0.00 0.00 175.35 174.66 2d8y s SER 76 N -4.47 -1.01 0.16 1.43 0.15 -1.26 -4.49 113.70 104.21 2d8y s SER 76 Ca 0.64 0.67 -0.19 0.00 0.70 0.00 0.00 55.95 57.77 2d8y s SER 76 Cb -0.11 1.91 0.09 0.00 -1.71 0.00 0.00 66.02 66.20 2d8y s SER 76 CO 0.51 -0.27 1.25 0.29 1.20 0.00 0.00 173.24 176.21 2d8y n LYS 77 N 5.41 -0.26 -0.53 5.44 4.76 -1.26 -4.50 118.16 127.22 2d8y n LYS 77 Ca -0.01 1.23 0.00 0.00 -2.87 0.00 0.00 58.31 56.66 2d8y n LYS 77 Cb 0.51 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2d8y n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d8y n GLY 78 N -1.31 0.53 3.52 0.72 0.00 -1.26 -4.62 105.19 102.77 2d8y n GLY 78 Ca 0.05 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 2d8y n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d8y n ASN 79 N -2.93 -5.82 -4.24 1.61 4.13 -1.26 -4.88 115.26 101.87 2d8y n ASN 79 Ca 0.00 -0.53 -0.41 0.00 1.68 0.00 0.00 54.58 55.31 2d8y n ASN 79 Cb 0.00 -4.92 -0.00 0.00 -1.54 0.00 0.00 39.78 33.32 2d8y n ASN 79 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2d8y n TYR 80 N -4.85 -2.05 -4.41 3.10 4.01 -1.26 -4.99 117.16 106.72 2d8y n TYR 80 Ca -0.02 0.62 -0.21 0.00 -0.16 0.00 0.00 57.90 58.14 2d8y n TYR 80 Cb 0.57 -1.76 -0.10 0.00 -0.31 0.00 0.00 39.34 37.75 2d8y n TYR 80 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2d8y s ASP 81 N -0.99 2.00 -0.05 7.72 2.15 -1.26 -5.03 116.67 121.21 2d8y s ASP 81 Ca 0.58 -1.47 -0.02 0.00 0.43 0.00 0.00 52.55 52.07 2d8y s ASP 81 Cb -0.64 0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.13 2d8y s ASP 81 CO 0.62 -0.76 2.46 -1.84 -0.17 0.00 0.00 175.17 175.48 2d8y n GLU 82 N -0.66 1.41 -3.00 4.34 0.28 -1.26 -4.36 120.64 117.40 2d8y n GLU 82 Ca -0.02 -0.53 -0.16 0.00 -0.16 0.00 0.00 57.16 56.30 2d8y n GLU 82 Cb 0.66 -1.38 -0.02 0.00 1.43 0.00 0.00 31.44 32.13 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d8y n GLY 83 N 1.61 1.21 2.93 -1.84 0.00 -1.26 -5.12 105.19 102.72 2d8y n GLY 83 Ca 0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2d8y n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d8y s PHE 84 N -0.01 0.59 0.00 1.61 5.36 -1.26 -5.13 117.98 119.13 2d8y s PHE 84 Ca 0.33 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2d8y s PHE 84 Cb 0.15 -0.47 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 2d8y s PHE 84 CO -0.16 -0.09 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 2d8y n GLY 85 N 3.46 1.89 2.77 13.12 0.00 -1.26 -5.13 105.19 120.04 2d8y n GLY 85 Ca -0.19 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2d8y n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8y s SER 86 N 0.00 4.11 -0.30 1.61 0.01 -1.26 -5.09 113.70 112.78 2d8y s SER 86 Ca 0.00 -1.69 -0.42 0.00 1.31 0.00 0.00 55.95 55.14 2d8y s SER 86 Cb 0.00 -0.96 -0.18 0.00 0.21 0.00 0.00 66.02 65.09 2d8y s SER 86 CO 0.00 -0.41 1.59 0.61 0.41 0.00 0.00 173.24 175.44 2d8y n GLY 87 N 4.77 0.47 3.61 3.44 0.00 -1.26 -4.82 105.19 111.40 2d8y n GLY 87 Ca -0.01 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.50 2d8y n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8y s PRO 88 N 2.72 3.52 0.89 1.61 0.04 -1.26 -4.99 135.00 137.53 2d8y s PRO 88 Ca 0.99 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 2d8y s PRO 88 Cb -1.23 -4.12 0.12 0.00 0.04 0.00 0.00 34.50 29.32 2d8y s PRO 88 CO 0.69 -1.63 1.09 -1.54 0.04 0.00 0.00 177.00 175.65 2d8y s SER 89 N 5.11 3.56 0.23 6.66 1.04 -1.26 -5.08 113.70 123.97 2d8y s SER 89 Ca 0.74 1.44 -0.16 0.00 0.48 0.00 0.00 55.95 58.45 2d8y s SER 89 Cb -0.22 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 63.79 2d8y s SER 89 CO 0.32 -2.58 0.53 -0.44 0.98 0.00 0.00 173.24 172.06 2d8y s SER 90 N -3.49 -0.17 0.00 7.02 0.01 -1.26 -5.31 113.70 110.49 2d8y s SER 90 Ca 0.63 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 57.40 2d8y s SER 90 Cb -0.17 0.61 0.18 0.00 0.21 0.00 0.00 66.02 66.85 2d8y s SER 90 CO 0.57 -1.15 1.23 0.61 0.41 0.00 0.00 173.24 174.91