#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 -0.50 0.27 1.61 0.15 -1.26 -5.19 113.70 108.78 2d8y s SER 2 Ca 0.00 0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.67 2d8y s SER 2 Cb 0.00 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2d8y s SER 2 CO 0.00 -0.70 0.66 -0.55 1.20 0.00 0.00 173.24 173.85 2d8y s SER 3 N -2.10 -0.24 0.00 5.45 0.15 -1.26 -5.16 113.70 110.55 2d8y s SER 3 Ca -0.01 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2d8y s SER 3 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2d8y s SER 3 CO -0.05 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2d8y n GLY 4 N -0.44 3.22 3.57 9.45 0.00 -1.26 -5.17 105.19 114.57 2d8y n GLY 4 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 2d8y n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8y s SER 5 N 0.00 -0.95 -0.07 1.61 0.01 -1.26 -5.17 113.70 107.87 2d8y s SER 5 Ca 0.00 1.31 -0.17 0.00 1.31 0.00 0.00 55.95 58.40 2d8y s SER 5 Cb 0.00 2.05 0.04 0.00 0.21 0.00 0.00 66.02 68.31 2d8y s SER 5 CO 0.00 -0.18 0.40 -0.94 0.41 0.00 0.00 173.24 172.92 2d8y s SER 6 N 2.68 -0.34 0.00 2.44 1.04 -1.26 -5.09 113.70 113.17 2d8y s SER 6 Ca -0.05 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2d8y s SER 6 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2d8y s SER 6 CO -0.18 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2d8y n GLY 7 N 1.83 -2.51 3.14 7.32 0.00 -1.26 -5.12 105.19 108.59 2d8y n GLY 7 Ca -0.18 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.08 0.69 0.07 1.61 1.00 -1.26 -5.17 119.30 114.16 2d8y s MET 8 Ca 0.00 -1.04 0.09 0.00 0.00 0.00 0.00 55.69 54.73 2d8y s MET 8 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 34.83 35.06 2d8y s MET 8 CO 0.00 -0.17 -0.23 0.15 0.00 0.00 0.00 175.02 174.77 2d8y s LYS 9 N -3.67 1.44 0.16 2.03 1.02 -1.26 -5.14 119.74 114.32 2d8y s LYS 9 Ca 0.04 -1.08 -0.24 0.00 0.02 0.00 0.00 55.97 54.70 2d8y s LYS 9 Cb 0.05 -1.66 0.06 0.00 -0.52 0.00 0.00 37.83 35.77 2d8y s LYS 9 CO -0.09 0.41 0.77 -0.59 -0.92 0.00 0.00 175.35 174.93 2d8y s PHE 10 N -0.91 -0.32 0.37 3.18 -0.71 -1.26 -5.17 117.98 113.17 2d8y s PHE 10 Ca 0.09 0.04 -0.16 0.00 -1.04 0.00 0.00 56.93 55.86 2d8y s PHE 10 Cb -0.09 0.61 -0.09 0.00 -1.21 0.00 0.00 43.02 42.24 2d8y s PHE 10 CO 0.03 -0.88 0.80 1.14 -1.34 0.00 0.00 175.22 174.97 2d8y s GLN 11 N -3.56 4.01 0.00 1.99 -2.07 -1.26 -5.01 119.66 113.76 2d8y s GLN 11 Ca 0.07 0.75 0.00 0.00 -1.82 0.00 0.00 55.36 54.36 2d8y s GLN 11 Cb -0.02 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 2d8y s GLN 11 CO -0.04 0.05 0.00 0.00 -1.32 0.00 0.00 175.29 173.99 2d8y n ALA 12 N -0.67 2.76 0.10 2.60 0.00 -1.26 -4.97 120.51 119.08 2d8y n ALA 12 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 2d8y n ALA 12 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 2d8y n ALA 12 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2d8y h PRO 13 N 0.00 -0.30 -1.09 0.00 0.13 -2.10 -3.48 132.00 125.16 2d8y h PRO 13 Ca 0.00 0.02 0.23 0.00 -0.87 0.00 0.00 66.00 65.38 2d8y h PRO 13 Cb 0.00 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 30.92 2d8y h PRO 13 CO 0.00 0.07 0.92 0.00 -0.23 0.00 0.00 178.00 178.76 2d8y s ALA 14 N -4.28 -2.11 0.22 -0.56 0.00 -1.26 -5.19 121.76 108.57 2d8y s ALA 14 Ca -0.13 1.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.47 2d8y s ALA 14 Cb 0.01 -1.49 0.06 0.00 0.00 0.00 0.00 23.12 21.70 2d8y s ALA 14 CO 0.51 -0.23 0.93 -0.98 0.00 0.00 0.00 175.76 175.99 2d8y s ARG 15 N -0.95 1.47 0.05 0.00 1.70 -1.26 -5.06 118.95 114.91 2d8y s ARG 15 Ca 0.08 -0.88 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 2d8y s ARG 15 Cb -0.01 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2d8y s ARG 15 CO -0.08 -0.68 0.03 -1.21 -1.08 0.00 0.00 175.30 172.28 2d8y s GLU 16 N -2.86 2.77 0.02 3.89 2.02 -1.26 -5.09 118.70 118.19 2d8y s GLU 16 Ca 0.16 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.45 2d8y s GLU 16 Cb -0.03 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2d8y s GLU 16 CO 0.05 0.58 -0.04 0.99 0.02 0.00 0.00 175.26 176.87 2d8y s THR 17 N -1.27 0.22 0.07 3.63 2.01 -1.26 -2.11 115.64 116.93 2d8y s THR 17 Ca 0.25 -0.69 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 2d8y s THR 17 Cb -0.12 -0.30 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 2d8y s THR 17 CO 0.17 -0.30 1.38 0.00 -0.69 0.00 0.00 174.62 175.17 2d8y n VAL 19 N 4.19 0.30 0.02 0.00 0.24 -0.97 -1.47 118.33 120.65 2d8y n VAL 19 Ca 0.12 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.34 62.21 2d8y n VAL 19 Cb 0.43 -0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.02 0.05 0.04 7.34 1.02 -1.26 -4.84 120.64 122.96 2d8y n GLU 20 Ca 0.04 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2d8y n GLU 20 Cb 0.25 -0.45 -0.09 0.00 -0.02 0.00 0.00 31.44 31.14 2d8y n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8y n GLN 22 N -2.52 -1.52 -4.71 0.00 1.13 -0.54 -5.02 117.38 104.19 2d8y n GLN 22 Ca -0.04 0.23 -0.26 0.00 -1.94 0.00 0.00 57.00 55.00 2d8y n GLN 22 Cb 0.61 -3.24 -0.17 0.00 0.11 0.00 0.00 30.24 27.55 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 -4.13 1.91 -0.76 -1.09 3.01 -1.26 -4.82 119.74 112.61 2d8y s LYS 23 Ca 0.03 -0.51 -0.35 0.00 -1.01 0.00 0.00 55.97 54.13 2d8y s LYS 23 Cb -0.00 -1.55 -0.20 0.00 -1.01 0.00 0.00 37.83 35.06 2d8y s LYS 23 CO 0.20 0.08 2.36 2.41 0.51 0.00 0.00 175.35 180.91 2d8y n THR 24 N 3.67 0.00 -2.45 2.17 -1.04 -1.26 -2.46 114.28 112.92 2d8y n THR 24 Ca -0.22 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 2d8y n THR 24 Cb 0.52 -0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 68.53 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 7.43 4.27 0.64 12.58 1.01 -0.90 -4.91 120.40 140.52 2d8y s VAL 25 Ca 1.24 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 64.69 2d8y s VAL 25 Cb -1.30 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 31.05 2d8y s VAL 25 CO 0.54 -0.05 1.02 -0.31 0.00 0.00 0.00 175.10 176.29 2d8y s TYR 26 N 2.68 3.45 -2.00 5.22 1.51 -1.26 -4.62 117.35 122.33 2d8y s TYR 26 Ca 0.55 1.07 0.11 0.00 -1.01 0.00 0.00 57.07 57.79 2d8y s TYR 26 Cb -0.23 -2.83 0.63 0.00 -0.11 0.00 0.00 41.96 39.42 2d8y s TYR 26 CO 0.19 -0.87 1.07 -0.35 -1.11 0.00 0.00 175.55 174.48 2d8y n PRO 27 N -2.79 0.49 -0.06 -1.71 -0.04 -1.26 -1.66 135.00 127.97 2d8y n PRO 27 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2d8y n PRO 27 Cb 0.56 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.84 1.34 -0.31 0.54 0.00 -1.26 -4.52 117.12 112.06 2d8y n MET 28 Ca 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 57.70 57.82 2d8y n MET 28 Cb 0.04 -1.37 0.18 0.00 0.00 0.00 0.00 33.22 32.06 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 -2.42 1.59 -2.79 3.17 0.28 -0.93 -4.98 120.64 114.56 2d8y n GLU 29 Ca -0.19 -2.85 -0.43 0.00 -0.16 0.00 0.00 57.16 53.53 2d8y n GLU 29 Cb 0.84 -1.60 -0.04 0.00 1.43 0.00 0.00 31.44 32.07 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 -3.00 3.27 -0.29 3.44 3.52 -0.66 -3.76 118.95 121.47 2d8y s ARG 30 Ca 0.36 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.53 2d8y s ARG 30 Cb 0.32 -4.11 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2d8y s ARG 30 CO 0.01 -1.67 0.04 -1.17 -0.81 0.00 0.00 175.30 171.70 2d8y s LEU 31 N 4.26 3.70 0.05 -0.88 0.20 0.04 -4.96 118.68 121.09 2d8y s LEU 31 Ca 0.29 -0.82 -0.31 0.00 0.69 0.00 0.00 54.13 53.99 2d8y s LEU 31 Cb -0.13 -1.81 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 2d8y s LEU 31 CO 0.17 -0.19 1.21 -0.22 -0.29 0.00 0.00 176.35 177.03 2d8y s LEU 32 N 1.43 4.36 -0.21 -0.68 1.98 -1.26 -0.51 118.68 123.79 2d8y s LEU 32 Ca 0.01 2.00 -0.05 0.00 -2.89 0.00 0.00 54.13 53.21 2d8y s LEU 32 Cb -0.17 -3.58 0.11 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO 0.00 -0.50 0.39 0.00 -1.89 0.00 0.00 176.35 174.35 2d8y s ALA 33 N 1.24 -1.07 -1.23 5.97 0.00 -0.22 -4.90 121.76 121.54 2d8y s ALA 33 Ca 0.59 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.66 2d8y s ALA 33 Cb -0.29 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2d8y s ALA 33 CO 0.28 -0.97 1.01 0.09 0.00 0.00 0.00 175.76 176.17 2d8y n ASN 34 N 5.38 -5.91 -3.43 0.00 3.02 -1.26 -2.31 115.26 110.75 2d8y n ASN 34 Ca -0.06 -0.46 -0.22 0.00 -0.03 0.00 0.00 54.58 53.81 2d8y n ASN 34 Cb 0.50 -4.54 0.08 0.00 -0.61 0.00 0.00 39.78 35.20 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8y n GLN 35 N -4.45 -7.51 -3.71 3.52 6.02 -1.26 -5.00 117.38 105.00 2d8y n GLN 35 Ca -0.00 0.79 -0.12 0.00 -0.01 0.00 0.00 57.00 57.66 2d8y n GLN 35 Cb 0.56 -5.72 -0.07 0.00 1.02 0.00 0.00 30.24 26.04 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 -6.18 0.89 -0.16 -1.09 -0.21 -0.98 -5.14 119.66 106.79 2d8y s GLN 36 Ca 0.52 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 55.13 2d8y s GLN 36 Cb -0.23 0.39 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 2d8y s GLN 36 CO 0.69 -0.30 0.94 0.08 -2.12 0.00 0.00 175.29 174.58 2d8y s VAL 37 N -2.74 4.80 0.07 1.09 1.01 -1.26 -1.06 120.40 122.31 2d8y s VAL 37 Ca -0.04 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.85 2d8y s VAL 37 Cb -0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2d8y s VAL 37 CO -0.04 -0.03 -0.12 -0.36 0.00 0.00 0.00 175.10 174.54 2d8y s PHE 38 N 2.38 1.10 -0.18 5.22 0.08 0.34 -2.28 117.98 124.63 2d8y s PHE 38 Ca 0.43 -0.49 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 2d8y s PHE 38 Cb -0.17 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2d8y s PHE 38 CO 0.13 0.03 0.70 -1.01 -0.10 0.00 0.00 175.22 174.97 2d8y s HIS 39 N -1.46 3.41 0.57 0.36 3.76 -1.26 -0.78 115.29 119.88 2d8y s HIS 39 Ca -0.02 1.07 0.27 0.00 -0.15 0.00 0.00 55.06 56.22 2d8y s HIS 39 Cb -0.09 -2.87 0.92 0.00 1.11 0.00 0.00 32.58 31.64 2d8y s HIS 39 CO 0.02 -0.17 1.24 -0.89 -0.85 0.00 0.00 174.74 174.08 2d8y n ILE 40 N 4.63 0.00 -0.10 0.60 -0.00 -1.25 -0.08 119.36 123.16 2d8y n ILE 40 Ca 0.01 1.20 -0.18 0.00 -0.00 0.00 0.00 62.75 63.78 2d8y n ILE 40 Cb 0.49 -2.14 -0.07 0.00 -0.00 0.00 0.00 39.64 37.92 2d8y n ILE 40 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2d8y n SER 41 N -3.18 1.88 -0.21 4.38 2.88 -1.26 -4.31 113.62 113.81 2d8y n SER 41 Ca 0.24 0.45 0.22 0.00 -1.33 0.00 0.00 58.87 58.44 2d8y n SER 41 Cb 1.48 -0.88 0.59 0.00 -0.75 0.00 0.00 64.21 64.65 2d8y n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8y n PHE 43 N -4.43 0.52 -4.19 0.00 7.35 0.59 -4.80 117.46 112.50 2d8y n PHE 43 Ca 0.19 -0.04 -0.12 0.00 -0.76 0.00 0.00 57.45 56.72 2d8y n PHE 43 Cb 0.78 -1.54 -0.10 0.00 0.35 0.00 0.00 39.48 38.97 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 7.47 1.13 0.25 -4.13 0.52 -1.26 -0.99 118.95 121.93 2d8y s ARG 44 Ca 0.84 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 2d8y s ARG 44 Cb -0.31 0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.28 2d8y s ARG 44 CO 0.24 -0.33 1.03 0.00 0.02 0.00 0.00 175.30 176.25 2d8y n SER 46 N 1.48 1.87 0.10 0.00 2.88 0.11 -1.45 113.62 118.60 2d8y n SER 46 Ca -0.01 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 2d8y n SER 46 Cb 0.46 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8y n TYR 47 N 0.17 -1.40 -0.02 0.66 4.19 -1.26 -4.91 117.16 114.58 2d8y n TYR 47 Ca 0.02 0.25 0.00 0.00 3.31 0.00 0.00 57.90 61.48 2d8y n TYR 47 Cb 0.39 0.34 -0.13 0.00 0.49 0.00 0.00 39.34 40.43 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 -2.64 -2.85 -4.28 0.00 5.15 -0.53 -4.96 115.26 105.14 2d8y n ASN 49 Ca -0.15 -0.25 -0.33 0.00 -0.60 0.00 0.00 54.58 53.25 2d8y n ASN 49 Cb 0.85 -2.24 -0.15 0.00 -0.53 0.00 0.00 39.78 37.71 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2d8y s ASN 50 N -3.33 3.78 0.14 1.20 0.01 -1.26 -4.75 114.94 110.72 2d8y s ASN 50 Ca 0.08 -0.45 -0.34 0.00 -0.71 0.00 0.00 52.86 51.45 2d8y s ASN 50 Cb -0.01 -1.59 -0.17 0.00 0.41 0.00 0.00 41.25 39.89 2d8y s ASN 50 CO 0.27 0.08 1.06 1.17 -1.51 0.00 0.00 177.10 178.17 2d8y n LYS 51 N 4.12 0.76 -3.99 -0.60 4.81 -1.26 -3.16 118.16 118.84 2d8y n LYS 51 Ca -0.19 0.27 -0.24 0.00 -0.87 0.00 0.00 58.31 57.28 2d8y n LYS 51 Cb 0.52 -1.71 -0.05 0.00 0.02 0.00 0.00 35.03 33.81 2d8y n LYS 51 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2d8y n LEU 52 N 1.93 0.00 -3.71 3.14 4.77 -0.16 -4.96 117.00 118.01 2d8y n LEU 52 Ca 0.17 -2.37 -0.13 0.00 -0.03 0.00 0.00 56.01 53.64 2d8y n LEU 52 Cb 0.21 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2d8y n LEU 52 CO 0.60 -0.34 0.15 -0.44 -1.33 0.00 0.00 177.39 176.04 2d8y s SER 53 N -3.08 -0.49 -0.88 -1.43 0.01 -1.26 -4.94 113.70 101.64 2d8y s SER 53 Ca 0.00 0.95 -0.24 0.00 1.31 0.00 0.00 55.95 57.97 2d8y s SER 53 Cb 0.00 0.96 -0.21 0.00 0.21 0.00 0.00 66.02 66.98 2d8y s SER 53 CO 0.00 -0.17 2.28 0.18 0.41 0.00 0.00 173.24 175.94 2d8y n LEU 54 N 2.81 -0.02 0.00 2.44 4.77 -1.26 -0.21 117.00 125.53 2d8y n LEU 54 Ca -0.13 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2d8y n LEU 54 Cb 0.57 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2d8y n LEU 54 CO 0.11 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 2d8y n GLY 55 N 5.53 1.40 0.39 -0.72 0.00 -1.26 -4.94 105.19 105.59 2d8y n GLY 55 Ca 0.58 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 1.61 -4.08 2.61 5.66 0.71 -5.02 114.28 115.77 2d8y n THR 56 Ca 0.00 -1.61 -0.22 0.00 -3.05 0.00 0.00 64.05 59.16 2d8y n THR 56 Cb 0.00 0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 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 -2.05 2.87 -0.30 1.09 -0.85 -1.25 -3.66 117.35 113.19 2d8y s TYR 57 Ca 0.26 -0.25 -0.11 0.00 -0.52 0.00 0.00 57.07 56.45 2d8y s TYR 57 Cb 0.20 -1.51 0.15 0.00 0.38 0.00 0.00 41.96 41.18 2d8y s TYR 57 CO 0.06 0.41 0.78 0.00 -1.52 0.00 0.00 175.55 175.29 2d8y s ALA 58 N -2.29 -2.36 0.29 9.51 0.00 0.04 -4.88 121.76 122.06 2d8y s ALA 58 Ca 0.36 2.15 0.08 0.00 0.00 0.00 0.00 51.96 54.54 2d8y s ALA 58 Cb -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2d8y s ALA 58 CO 0.24 -1.01 0.18 0.45 0.00 0.00 0.00 175.76 175.61 2d8y s SER 59 N 2.75 5.15 0.00 0.00 0.15 -1.26 0.95 113.70 121.44 2d8y s SER 59 Ca -0.01 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2d8y s SER 59 Cb -0.10 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2d8y s SER 59 CO -0.18 -0.16 0.00 -0.11 1.20 0.00 0.00 173.24 173.99 2d8y n LEU 60 N -1.18 0.00 -3.20 3.45 7.94 -1.14 -4.94 117.00 117.94 2d8y n LEU 60 Ca -0.05 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.47 2d8y n LEU 60 Cb 0.59 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.56 2d8y n LEU 60 CO 0.42 -0.22 1.21 1.41 -1.11 0.00 0.00 177.39 179.11 2d8y n HIS 61 N -1.66 3.06 -2.11 1.96 8.25 -1.26 -4.75 115.22 118.70 2d8y n HIS 61 Ca 0.00 -2.69 -0.09 0.00 -0.26 0.00 0.00 57.72 54.68 2d8y n HIS 61 Cb 0.00 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.09 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 -0.29 0.08 2.85 -1.41 0.00 -1.26 -5.02 105.19 100.13 2d8y n GLY 62 Ca 0.47 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.32 0.03 0.35 1.61 0.52 -1.26 -5.14 118.95 110.74 2d8y s ARG 63 Ca 0.00 0.37 -0.27 0.00 -0.52 0.00 0.00 55.73 55.31 2d8y s ARG 63 Cb 0.00 -0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.13 2d8y s ARG 63 CO 0.00 -0.21 1.13 0.42 0.02 0.00 0.00 175.30 176.66 2d8y s ILE 64 N 1.46 3.34 -0.00 1.52 -1.09 -1.26 -2.87 121.20 122.31 2d8y s ILE 64 Ca -0.05 1.21 -0.03 0.00 -2.23 0.00 0.00 60.65 59.55 2d8y s ILE 64 Cb -0.12 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2d8y s ILE 64 CO -0.05 0.19 0.06 -0.31 -1.23 0.00 0.00 174.94 173.59 2d8y s TYR 65 N -1.34 0.07 0.39 3.97 2.02 0.27 0.04 117.35 122.77 2d8y s TYR 65 Ca 0.52 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.85 2d8y s TYR 65 Cb -0.30 -0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.09 2d8y s TYR 65 CO 0.39 -0.16 0.96 0.00 -1.57 0.00 0.00 175.55 175.17 2d8y n LYS 67 N -0.18 -0.17 -0.01 0.00 4.01 -1.24 0.29 118.16 120.86 2d8y n LYS 67 Ca 0.05 1.54 -0.06 0.00 -0.51 0.00 0.00 58.31 59.34 2d8y n LYS 67 Cb 0.52 -2.29 -0.04 0.00 -0.51 0.00 0.00 35.03 32.71 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 -0.20 -0.20 1.97 0.11 -1.93 0.34 132.00 132.10 2d8y h PRO 68 Ca 0.41 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.54 2d8y h PRO 68 Cb 0.65 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2d8y h PRO 68 CO -1.00 -0.13 0.12 0.45 -0.21 0.00 0.00 178.00 177.23 2d8y h HIS 69 N -0.20 0.23 -0.34 0.65 3.86 -1.71 -2.78 115.15 114.85 2d8y h HIS 69 Ca 0.01 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2d8y h HIS 69 Cb 0.25 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.56 2d8y h HIS 69 CO -0.53 0.14 -0.28 0.35 0.86 0.00 0.00 177.93 178.48 2d8y h PHE 70 N 0.25 -0.76 0.00 2.45 3.04 0.11 0.90 116.94 122.94 2d8y h PHE 70 Ca 0.08 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2d8y h PHE 70 Cb -0.02 0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.88 2d8y h PHE 70 CO -0.07 -0.35 0.00 -1.71 -2.02 0.00 0.00 178.31 174.16 2d8y n ASN 71 N -5.40 0.00 -0.07 0.41 5.15 0.12 -0.22 115.26 115.25 2d8y n ASN 71 Ca 0.01 -0.03 -0.11 0.00 -0.60 0.00 0.00 54.58 53.84 2d8y n ASN 71 Cb 0.32 -0.15 -0.04 0.00 -0.53 0.00 0.00 39.78 39.38 2d8y n ASN 71 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2d8y n GLN 72 N -1.15 0.40 0.21 1.20 -0.06 0.25 -3.58 117.38 114.66 2d8y n GLN 72 Ca 0.05 0.16 0.08 0.00 -2.00 0.00 0.00 57.00 55.29 2d8y n GLN 72 Cb 0.05 -1.19 0.44 0.00 -4.06 0.00 0.00 30.24 25.48 2d8y n GLN 72 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2d8y h LEU 73 N -0.73 0.00 0.00 1.69 3.38 0.20 -3.32 115.31 116.53 2d8y h LEU 73 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2d8y h LEU 73 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2d8y h LEU 73 CO -0.09 0.29 -0.56 -0.26 0.09 0.00 0.00 178.44 177.91 2d8y h PHE 74 N 0.00 0.00 -2.99 1.13 -1.00 -0.78 -3.48 116.94 109.82 2d8y h PHE 74 Ca -0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 2d8y h PHE 74 Cb 0.73 0.00 0.22 0.00 3.61 0.00 0.00 35.95 40.51 2d8y h PHE 74 CO 0.00 0.14 -0.15 0.21 -1.61 0.00 0.00 178.31 176.90 2d8y s LYS 75 N -2.23 -3.14 -0.55 1.51 2.47 -1.23 -5.00 119.74 111.57 2d8y s LYS 75 Ca -0.15 0.18 0.04 0.00 -1.56 0.00 0.00 55.97 54.47 2d8y s LYS 75 Cb 0.02 -1.35 0.15 0.00 -1.46 0.00 0.00 37.83 35.20 2d8y s LYS 75 CO 0.24 -5.02 0.35 0.45 0.16 0.00 0.00 175.35 171.54 2d8y s SER 76 N -3.04 3.94 -0.51 1.43 0.15 -1.26 -4.79 113.70 109.63 2d8y s SER 76 Ca 0.68 -3.24 -0.06 0.00 0.70 0.00 0.00 55.95 54.03 2d8y s SER 76 Cb -0.14 -1.32 0.06 0.00 -1.71 0.00 0.00 66.02 62.92 2d8y s SER 76 CO 0.58 -0.18 0.16 2.29 1.20 0.00 0.00 173.24 177.30 2d8y n LYS 77 N 2.75 -1.82 -0.25 5.44 0.00 -1.26 -4.65 118.16 118.37 2d8y n LYS 77 Ca 0.15 0.04 0.24 0.00 -0.00 0.00 0.00 58.31 58.74 2d8y n LYS 77 Cb 0.36 -3.29 0.44 0.00 -0.00 0.00 0.00 35.03 32.55 2d8y n LYS 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d8y n GLY 78 N -0.56 -0.62 3.25 2.58 0.00 -1.26 -4.43 105.19 104.15 2d8y n GLY 78 Ca 0.03 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.79 -2.85 -0.05 1.61 3.02 -1.26 -4.96 115.26 105.98 2d8y n ASN 79 Ca 0.29 -0.40 0.02 0.00 -0.03 0.00 0.00 54.58 54.46 2d8y n ASN 79 Cb 0.98 -1.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2d8y n ASN 79 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d8y n TYR 80 N -4.96 0.03 -3.64 3.10 4.02 -1.26 -5.01 117.16 109.44 2d8y n TYR 80 Ca 0.05 -0.57 -0.12 0.00 -0.01 0.00 0.00 57.90 57.25 2d8y n TYR 80 Cb 0.54 -0.06 -0.07 0.00 -0.02 0.00 0.00 39.34 39.72 2d8y n TYR 80 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2d8y s ASP 81 N -1.26 -0.76 -0.22 7.72 -1.08 -1.26 -5.06 116.67 114.76 2d8y s ASP 81 Ca 0.06 1.40 0.17 0.00 -0.52 0.00 0.00 52.55 53.66 2d8y s ASP 81 Cb 0.05 1.39 0.47 0.00 -1.46 0.00 0.00 42.92 43.36 2d8y s ASP 81 CO 0.01 -0.24 1.16 -1.84 0.52 0.00 0.00 175.17 174.78 2d8y n GLU 82 N 3.08 1.97 0.00 4.34 0.00 -1.26 -4.96 120.64 123.80 2d8y n GLU 82 Ca -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 57.16 53.59 2d8y n GLU 82 Cb 0.56 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.47 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d8y n GLY 83 N -0.51 2.12 3.08 -1.84 0.00 -1.26 -4.30 105.19 102.50 2d8y n GLY 83 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2d8y n GLY 83 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2d8y n PHE 84 N 0.00 -2.07 -3.65 1.61 7.35 -1.26 -5.02 117.46 114.43 2d8y n PHE 84 Ca 0.00 0.79 -0.23 0.00 -0.76 0.00 0.00 57.45 57.25 2d8y n PHE 84 Cb 0.00 -4.37 -0.18 0.00 0.35 0.00 0.00 39.48 35.28 2d8y n PHE 84 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2d8y s GLY 85 N -3.65 0.28 0.36 7.13 0.00 -1.26 -5.14 107.32 105.04 2d8y s GLY 85 Ca 0.25 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.97 2d8y s GLY 85 CO 0.59 1.54 0.04 -0.56 0.00 0.00 0.00 173.10 174.71 2d8y s SER 86 N 2.15 2.93 -0.32 1.64 0.01 -1.26 -5.13 113.70 113.72 2d8y s SER 86 Ca 0.04 -1.40 -0.09 0.00 1.31 0.00 0.00 55.95 55.80 2d8y s SER 86 Cb -0.14 -0.13 0.19 0.00 0.21 0.00 0.00 66.02 66.15 2d8y s SER 86 CO -0.06 -0.58 1.04 -0.83 0.41 0.00 0.00 173.24 173.22 2d8y s GLY 87 N -3.58 -1.39 1.07 3.44 0.00 -1.26 -5.17 107.32 100.43 2d8y s GLY 87 Ca 0.34 1.45 -0.15 0.00 0.00 0.00 0.00 44.72 46.37 2d8y s GLY 87 CO 0.16 4.24 1.10 2.56 0.00 0.00 0.00 173.10 181.16 2d8y s PRO 88 N 2.20 -0.16 0.64 2.90 0.04 -1.26 -5.05 135.00 134.31 2d8y s PRO 88 Ca 0.18 0.31 -0.07 0.00 0.04 0.00 0.00 61.00 61.46 2d8y s PRO 88 Cb 0.02 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.89 2d8y s PRO 88 CO -0.17 -3.08 0.96 0.45 0.04 0.00 0.00 177.00 175.20 2d8y s SER 89 N -3.60 5.35 0.05 6.66 0.15 -1.26 -5.11 113.70 115.95 2d8y s SER 89 Ca 0.67 0.69 -0.00 0.00 0.70 0.00 0.00 55.95 58.01 2d8y s SER 89 Cb -0.16 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 2d8y s SER 89 CO 0.57 -1.25 -0.04 -0.44 1.20 0.00 0.00 173.24 173.28 2d8y s SER 90 N -4.37 0.53 0.00 5.45 0.01 -1.26 -5.36 113.70 108.70 2d8y s SER 90 Ca 0.56 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2d8y s SER 90 Cb -0.11 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2d8y s SER 90 CO 0.46 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.23