#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8y n SER 2 N 0.00 2.82 -3.58 1.61 2.88 -1.26 -4.92 113.62 111.17 2d8y n SER 2 Ca 0.00 0.88 -0.13 0.00 -1.33 0.00 0.00 58.87 58.29 2d8y n SER 2 Cb 0.00 -1.27 -0.06 0.00 -0.75 0.00 0.00 64.21 62.13 2d8y n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8y s SER 3 N 4.64 -0.55 0.35 -3.46 0.15 -1.26 -5.18 113.70 108.39 2d8y s SER 3 Ca 0.98 0.78 0.09 0.00 0.70 0.00 0.00 55.95 58.50 2d8y s SER 3 Cb -0.85 0.69 -0.07 0.00 -1.71 0.00 0.00 66.02 64.08 2d8y s SER 3 CO 0.56 -0.38 -0.07 -0.83 1.20 0.00 0.00 173.24 173.72 2d8y s GLY 4 N -0.63 2.21 -0.02 9.45 0.00 -1.26 -5.15 107.32 111.92 2d8y s GLY 4 Ca -0.04 -2.10 0.01 0.00 0.00 0.00 0.00 44.72 42.59 2d8y s GLY 4 CO 0.03 -2.03 -0.02 -0.56 0.00 0.00 0.00 173.10 170.52 2d8y s SER 5 N -3.63 0.54 0.20 1.64 0.01 -1.26 -5.13 113.70 106.06 2d8y s SER 5 Ca 0.33 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 2d8y s SER 5 Cb 0.03 -0.21 -0.08 0.00 0.21 0.00 0.00 66.02 65.96 2d8y s SER 5 CO 0.17 -0.04 1.27 -0.94 0.41 0.00 0.00 173.24 174.10 2d8y s SER 6 N 0.63 6.96 0.46 2.44 1.04 -1.26 -4.83 113.70 119.14 2d8y s SER 6 Ca -0.07 2.34 0.00 0.00 0.48 0.00 0.00 55.95 58.71 2d8y s SER 6 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2d8y s SER 6 CO -0.01 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2d8y n GLY 7 N 2.26 -0.18 3.06 7.32 0.00 -1.26 -4.33 105.19 112.07 2d8y n GLY 7 Ca 0.05 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2d8y n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d8y s MET 8 N 0.00 2.76 -0.16 1.61 0.00 -1.26 -4.85 119.30 117.39 2d8y s MET 8 Ca 0.00 -2.90 -0.11 0.00 0.00 0.00 0.00 55.69 52.69 2d8y s MET 8 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 34.83 31.02 2d8y s MET 8 CO 0.00 -1.21 -0.25 1.63 0.00 0.00 0.00 175.02 175.19 2d8y n LYS 9 N 2.87 0.40 -2.04 3.16 5.02 -1.26 -5.04 118.16 121.27 2d8y n LYS 9 Ca 0.14 0.17 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 2d8y n LYS 9 Cb 0.37 -1.18 0.17 0.00 -0.02 0.00 0.00 35.03 34.37 2d8y n LYS 9 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2d8y s PHE 10 N -2.44 1.61 -0.21 2.13 0.40 -1.26 -4.93 117.98 113.27 2d8y s PHE 10 Ca -0.25 0.22 -0.36 0.00 -0.60 0.00 0.00 56.93 55.94 2d8y s PHE 10 Cb 0.08 -3.92 -0.13 0.00 0.51 0.00 0.00 43.02 39.56 2d8y s PHE 10 CO 0.33 -2.48 1.92 0.00 0.70 0.00 0.00 175.22 175.69 2d8y n GLN 11 N -3.60 1.60 0.21 0.44 0.00 -1.26 -4.88 117.38 109.89 2d8y n GLN 11 Ca 0.15 0.56 -0.13 0.00 0.00 0.00 0.00 57.00 57.58 2d8y n GLN 11 Cb 0.60 -2.45 -0.07 0.00 0.00 0.00 0.00 30.24 28.31 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2d8y h ALA 12 N 9.47 -0.55 -2.33 2.61 0.00 -1.96 -3.46 119.26 123.03 2d8y h ALA 12 Ca -0.43 -0.19 -0.49 0.00 0.00 0.00 0.00 54.91 53.80 2d8y h ALA 12 Cb 1.30 0.21 0.14 0.00 0.00 0.00 0.00 17.79 19.44 2d8y h ALA 12 CO 0.97 -0.63 0.27 -1.25 0.00 0.00 0.00 179.25 178.60 2d8y s PRO 13 N -4.54 1.48 0.18 0.00 0.04 -1.26 -4.93 135.00 125.97 2d8y s PRO 13 Ca -0.14 0.89 -0.33 0.00 0.04 0.00 0.00 61.00 61.47 2d8y s PRO 13 Cb 0.02 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 2d8y s PRO 13 CO 0.49 -2.11 1.42 0.00 0.04 0.00 0.00 177.00 176.84 2d8y n ALA 14 N -3.80 0.64 -2.06 8.56 0.00 -1.26 -4.95 120.51 117.63 2d8y n ALA 14 Ca 0.07 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 2d8y n ALA 14 Cb 0.55 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 2d8y n ALA 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2d8y s ARG 15 N 0.14 4.45 0.65 0.00 3.52 -1.26 -5.08 118.95 121.37 2d8y s ARG 15 Ca 0.74 1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 57.37 2d8y s ARG 15 Cb -0.73 -3.23 0.08 0.00 -1.56 0.00 0.00 34.95 29.52 2d8y s ARG 15 CO 0.46 0.58 0.90 -1.21 -0.81 0.00 0.00 175.30 175.22 2d8y s GLU 16 N -1.21 2.10 -0.01 5.12 0.41 -1.26 -5.06 118.70 118.79 2d8y s GLU 16 Ca 0.35 -0.87 -0.21 0.00 -0.41 0.00 0.00 54.97 53.83 2d8y s GLU 16 Cb -0.22 -2.38 0.04 0.00 -1.78 0.00 0.00 34.13 29.80 2d8y s GLU 16 CO 0.24 -1.12 0.46 0.99 -0.49 0.00 0.00 175.26 175.34 2d8y s THR 17 N -3.00 0.04 -0.06 3.63 2.01 -1.26 -3.49 115.64 113.51 2d8y s THR 17 Ca 0.62 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 2d8y s THR 17 Cb -0.08 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2d8y s THR 17 CO 0.42 -0.17 0.96 0.00 -0.69 0.00 0.00 174.62 175.14 2d8y n VAL 19 N 4.23 0.09 0.01 0.00 0.24 -1.04 -0.49 118.33 121.37 2d8y n VAL 19 Ca 0.07 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 2d8y n VAL 19 Cb 0.50 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.15 0.06 -0.00 7.34 -0.58 -1.26 -4.82 120.64 121.23 2d8y n GLU 20 Ca 0.01 0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 2d8y n GLU 20 Cb 0.18 -0.61 -0.09 0.00 -0.57 0.00 0.00 31.44 30.35 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 -1.43 -4.51 -4.38 0.00 1.13 0.36 -4.99 117.38 103.56 2d8y n GLN 22 Ca 0.03 0.55 -0.28 0.00 -1.94 0.00 0.00 57.00 55.36 2d8y n GLN 22 Cb 0.26 -4.70 -0.13 0.00 0.11 0.00 0.00 30.24 25.78 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 -5.09 1.36 -0.48 -1.09 1.02 -1.25 -4.77 119.74 109.44 2d8y s LYS 23 Ca 0.08 -1.33 -0.27 0.00 0.02 0.00 0.00 55.97 54.47 2d8y s LYS 23 Cb -0.03 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 2d8y s LYS 23 CO 0.48 0.43 2.41 2.41 -0.92 0.00 0.00 175.35 180.16 2d8y n THR 24 N 0.91 -0.04 -2.31 2.17 -1.04 -1.26 -0.03 114.28 112.67 2d8y n THR 24 Ca -0.18 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.05 60.67 2d8y n THR 24 Cb 0.53 -2.69 -0.03 0.00 -1.82 0.00 0.00 70.33 66.32 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 11.72 3.86 0.59 12.58 1.01 -1.23 -4.92 120.40 144.01 2d8y s VAL 25 Ca 1.00 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 64.16 2d8y s VAL 25 Cb -0.24 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2d8y s VAL 25 CO 0.28 0.02 0.94 -0.31 0.00 0.00 0.00 175.10 176.03 2d8y s TYR 26 N 2.00 3.43 -2.00 5.22 1.51 -1.26 -4.60 117.35 121.65 2d8y s TYR 26 Ca 0.61 0.91 0.12 0.00 -1.01 0.00 0.00 57.07 57.70 2d8y s TYR 26 Cb -0.30 -2.69 0.71 0.00 -0.11 0.00 0.00 41.96 39.58 2d8y s TYR 26 CO 0.26 -0.72 1.14 -0.35 -1.11 0.00 0.00 175.55 174.77 2d8y n PRO 27 N -2.62 0.49 -0.07 -1.71 -0.04 -1.26 -1.52 135.00 128.27 2d8y n PRO 27 Ca 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2d8y n PRO 27 Cb 0.56 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 2d8y n PRO 27 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2d8y n MET 28 N -0.88 1.30 -0.31 0.54 0.00 -1.26 -4.51 117.12 112.00 2d8y n MET 28 Ca 0.09 -0.03 0.08 0.00 -0.00 0.00 0.00 57.70 57.84 2d8y n MET 28 Cb 0.04 -1.40 0.18 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.52 1.67 -2.73 2.12 0.28 -0.95 -4.95 120.64 113.56 2d8y n GLU 29 Ca -0.23 -2.83 -0.42 0.00 -0.16 0.00 0.00 57.16 53.52 2d8y n GLU 29 Cb 0.94 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.98 3.40 -0.35 3.44 3.52 -0.58 -3.78 118.95 121.63 2d8y s ARG 30 Ca 0.36 -1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 54.76 2d8y s ARG 30 Cb 0.32 -4.75 -0.01 0.00 -1.56 0.00 0.00 34.95 28.95 2d8y s ARG 30 CO 0.02 -1.99 0.25 -1.17 -0.81 0.00 0.00 175.30 171.60 2d8y s LEU 31 N 4.27 4.61 -0.14 -0.88 0.20 0.18 -4.93 118.68 121.99 2d8y s LEU 31 Ca 0.35 -0.49 -0.29 0.00 0.69 0.00 0.00 54.13 54.38 2d8y s LEU 31 Cb -0.07 -2.14 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 2d8y s LEU 31 CO -0.00 -0.27 1.24 -0.22 -0.29 0.00 0.00 176.35 176.81 2d8y s LEU 32 N 1.72 4.20 -0.18 -0.68 1.98 -1.26 -0.35 118.68 124.10 2d8y s LEU 32 Ca 0.06 1.71 -0.04 0.00 -2.89 0.00 0.00 54.13 52.97 2d8y s LEU 32 Cb -0.18 -3.54 0.08 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO 0.10 -0.72 0.19 0.00 -1.89 0.00 0.00 176.35 174.03 2d8y s ALA 33 N 3.22 -0.12 -0.79 5.97 0.00 -0.40 -4.87 121.76 124.76 2d8y s ALA 33 Ca 0.55 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 2d8y s ALA 33 Cb -0.22 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2d8y s ALA 33 CO 0.16 -1.12 0.64 -1.71 0.00 0.00 0.00 175.76 173.73 2d8y n ASN 34 N 5.31 -4.48 -3.35 0.00 5.15 -1.26 -2.89 115.26 113.75 2d8y n ASN 34 Ca -0.06 -0.29 -0.23 0.00 -0.60 0.00 0.00 54.58 53.40 2d8y n ASN 34 Cb 0.49 -3.09 0.06 0.00 -0.53 0.00 0.00 39.78 36.72 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d8y n GLN 35 N -3.03 -6.67 -3.75 1.20 6.02 -1.26 -4.99 117.38 104.90 2d8y n GLN 35 Ca -0.00 0.87 -0.13 0.00 -0.01 0.00 0.00 57.00 57.73 2d8y n GLN 35 Cb 0.54 -5.85 -0.08 0.00 1.02 0.00 0.00 30.24 25.87 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 -6.05 0.70 -0.18 -1.09 -0.21 -1.14 -5.13 119.66 106.55 2d8y s GLN 36 Ca 0.47 -0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.32 2d8y s GLN 36 Cb -0.21 0.31 -0.01 0.00 1.00 0.00 0.00 33.01 34.10 2d8y s GLN 36 CO 0.58 -0.20 1.24 0.08 -2.12 0.00 0.00 175.29 174.87 2d8y s VAL 37 N -1.51 4.32 0.08 1.09 1.01 -1.26 -1.28 120.40 122.84 2d8y s VAL 37 Ca -0.12 1.59 0.06 0.00 0.00 0.00 0.00 61.98 63.51 2d8y s VAL 37 Cb -0.04 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2d8y s VAL 37 CO 0.03 -0.16 -0.17 -0.36 0.00 0.00 0.00 175.10 174.45 2d8y s PHE 38 N 3.51 1.43 -0.11 5.22 0.08 0.52 -2.51 117.98 126.13 2d8y s PHE 38 Ca 0.53 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.91 2d8y s PHE 38 Cb -0.21 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2d8y s PHE 38 CO 0.14 0.11 0.75 -1.01 -0.10 0.00 0.00 175.22 175.10 2d8y s HIS 39 N -1.19 3.51 0.64 0.36 3.76 -1.26 -0.65 115.29 120.47 2d8y s HIS 39 Ca 0.01 1.24 0.15 0.00 -0.15 0.00 0.00 55.06 56.31 2d8y s HIS 39 Cb -0.10 -2.88 0.62 0.00 1.11 0.00 0.00 32.58 31.33 2d8y s HIS 39 CO 0.03 -0.04 1.29 0.82 -0.85 0.00 0.00 174.74 175.99 2d8y h ILE 40 N 4.93 0.03 0.00 0.60 5.03 -1.91 0.24 117.51 126.43 2d8y h ILE 40 Ca -0.37 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.10 2d8y h ILE 40 Cb 1.17 0.14 -0.04 0.00 -3.03 0.00 0.00 36.82 35.06 2d8y h ILE 40 CO 0.78 0.00 -1.76 -1.20 -0.68 0.00 0.00 178.15 175.29 2d8y n SER 41 N -2.88 1.92 -0.18 1.72 7.64 -1.26 -4.39 113.62 116.18 2d8y n SER 41 Ca 0.08 0.38 0.18 0.00 1.01 0.00 0.00 58.87 60.53 2d8y n SER 41 Cb 1.06 -0.84 0.54 0.00 -1.01 0.00 0.00 64.21 63.97 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 -4.46 0.72 -4.18 0.00 7.35 0.58 -4.79 117.46 112.67 2d8y n PHE 43 Ca 0.16 -0.08 -0.12 0.00 -0.76 0.00 0.00 57.45 56.65 2d8y n PHE 43 Cb 0.64 -2.04 -0.10 0.00 0.35 0.00 0.00 39.48 38.33 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 7.87 1.20 0.32 -4.13 0.52 -1.26 -2.51 118.95 120.96 2d8y s ARG 44 Ca 0.75 -1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 2d8y s ARG 44 Cb -0.14 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.52 2d8y s ARG 44 CO 0.16 -0.39 1.17 0.00 0.02 0.00 0.00 175.30 176.26 2d8y n SER 46 N 0.79 2.24 0.04 0.00 2.88 0.83 -1.18 113.62 119.22 2d8y n SER 46 Ca 0.01 -2.24 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 2d8y n SER 46 Cb 0.45 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.15 -0.50 0.74 0.66 4.19 -1.26 -4.86 117.16 116.27 2d8y n TYR 47 Ca 0.07 0.09 0.09 0.00 3.31 0.00 0.00 57.90 61.46 2d8y n TYR 47 Cb 0.51 0.21 -0.11 0.00 0.49 0.00 0.00 39.34 40.44 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 -1.51 -5.12 -4.87 0.00 4.05 -0.32 -4.95 115.26 102.54 2d8y n ASN 49 Ca 0.03 -0.25 -0.36 0.00 0.45 0.00 0.00 54.58 54.45 2d8y n ASN 49 Cb 0.30 -3.93 -0.06 0.00 1.23 0.00 0.00 39.78 37.33 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2d8y s ASN 50 N -2.85 6.62 0.61 1.20 0.01 -1.26 -4.67 114.94 114.61 2d8y s ASN 50 Ca 0.26 0.75 -0.18 0.00 -0.71 0.00 0.00 52.86 52.98 2d8y s ASN 50 Cb -0.12 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 2d8y s ASN 50 CO 0.33 0.25 1.16 -0.75 -1.51 0.00 0.00 177.10 176.57 2d8y s LYS 51 N -1.61 2.95 0.37 -0.60 2.47 -1.26 -0.77 119.74 121.29 2d8y s LYS 51 Ca 0.28 1.65 0.06 0.00 -1.56 0.00 0.00 55.97 56.39 2d8y s LYS 51 Cb -0.14 -1.95 -0.03 0.00 -1.46 0.00 0.00 37.83 34.26 2d8y s LYS 51 CO 0.15 -1.18 0.23 -0.51 0.16 0.00 0.00 175.35 174.20 2d8y s LEU 52 N -4.31 1.84 0.03 5.43 1.43 -1.04 -4.88 118.68 117.18 2d8y s LEU 52 Ca 0.73 -1.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2d8y s LEU 52 Cb -0.26 0.32 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 2d8y s LEU 52 CO 0.35 -1.03 -0.05 -0.44 0.23 0.00 0.00 176.35 175.41 2d8y s SER 53 N -3.47 0.49 -0.51 2.29 0.01 -1.26 -4.97 113.70 106.29 2d8y s SER 53 Ca 0.34 -0.51 -0.31 0.00 1.31 0.00 0.00 55.95 56.77 2d8y s SER 53 Cb 0.02 0.07 -0.11 0.00 0.21 0.00 0.00 66.02 66.21 2d8y s SER 53 CO 0.23 -0.26 2.36 0.18 0.41 0.00 0.00 173.24 176.16 2d8y n LEU 54 N 1.57 1.93 0.00 2.44 4.77 -1.26 -1.38 117.00 125.06 2d8y n LEU 54 Ca -0.23 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2d8y n LEU 54 Cb 0.55 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2d8y n LEU 54 CO 0.20 -1.00 0.00 0.61 -1.33 0.00 0.00 177.39 175.88 2d8y n GLY 55 N 6.31 3.60 0.12 -0.72 0.00 -1.26 -4.93 105.19 108.32 2d8y n GLY 55 Ca 0.44 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2d8y n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d8y n THR 56 N 0.00 1.51 -1.11 2.61 -2.24 -0.48 -4.98 114.28 109.59 2d8y n THR 56 Ca 0.00 -0.64 -0.35 0.00 -2.27 0.00 0.00 64.05 60.80 2d8y n THR 56 Cb 0.00 -1.28 0.10 0.00 -2.10 0.00 0.00 70.33 67.04 2d8y n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8y n TYR 57 N -3.19 -0.38 -3.55 4.78 4.11 -1.12 -4.17 117.16 113.64 2d8y n TYR 57 Ca -0.41 0.34 -0.23 0.00 -0.00 0.00 0.00 57.90 57.60 2d8y n TYR 57 Cb 1.03 -1.94 -0.15 0.00 -0.00 0.00 0.00 39.34 38.28 2d8y n TYR 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2d8y s ALA 58 N -2.08 0.11 -0.23 -3.48 0.00 0.40 -4.96 121.76 111.52 2d8y s ALA 58 Ca 0.66 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 2d8y s ALA 58 Cb -0.30 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2d8y s ALA 58 CO 0.58 -1.23 0.37 -1.54 0.00 0.00 0.00 175.76 173.94 2d8y s SER 59 N 2.22 6.35 -0.67 0.00 1.04 -1.26 0.10 113.70 121.48 2d8y s SER 59 Ca 0.05 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.81 2d8y s SER 59 Cb -0.16 -2.21 0.17 0.00 0.10 0.00 0.00 66.02 63.92 2d8y s SER 59 CO -0.13 -0.11 0.52 -0.22 0.98 0.00 0.00 173.24 174.29 2d8y s LEU 60 N 1.57 5.72 -0.73 2.42 2.96 0.13 -4.55 118.68 126.20 2d8y s LEU 60 Ca 0.17 -2.71 0.00 0.00 -0.22 0.00 0.00 54.13 51.37 2d8y s LEU 60 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2d8y s LEU 60 CO 0.08 -0.46 0.00 1.41 -1.32 0.00 0.00 176.35 176.06 2d8y n HIS 61 N 3.78 -0.18 0.00 5.38 8.25 -1.26 -3.10 115.22 128.08 2d8y n HIS 61 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2d8y n HIS 61 Cb 0.41 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 29.67 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 -1.52 1.82 3.67 -1.41 0.00 -1.26 -5.06 105.19 101.43 2d8y n GLY 62 Ca -0.08 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 4.29 0.23 1.61 0.52 -1.18 -4.97 118.95 119.45 2d8y s ARG 63 Ca 0.00 1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 2d8y s ARG 63 Cb 0.00 -3.66 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 2d8y s ARG 63 CO 0.00 -0.59 1.01 0.42 0.02 0.00 0.00 175.30 176.16 2d8y s ILE 64 N 2.95 3.91 -0.05 1.52 -1.09 -1.26 0.19 121.20 127.37 2d8y s ILE 64 Ca 0.52 1.85 -0.05 0.00 -2.23 0.00 0.00 60.65 60.74 2d8y s ILE 64 Cb -0.21 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.50 2d8y s ILE 64 CO 0.15 0.41 0.14 -0.31 -1.23 0.00 0.00 174.94 174.11 2d8y s TYR 65 N -0.95 -0.13 0.98 3.97 2.02 0.11 -0.12 117.35 123.23 2d8y s TYR 65 Ca 0.44 0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 57.33 2d8y s TYR 65 Cb -0.28 0.04 0.18 0.00 -0.40 0.00 0.00 41.96 41.50 2d8y s TYR 65 CO 0.35 -0.10 1.10 0.00 -1.57 0.00 0.00 175.55 175.32 2d8y h LYS 67 N -1.82 -0.37 -0.11 0.00 1.79 -1.93 0.10 116.57 114.23 2d8y h LYS 67 Ca -0.54 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 57.98 2d8y h LYS 67 Cb 1.32 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 32.02 2d8y h LYS 67 CO 0.58 -0.25 -0.32 -1.35 -1.08 0.00 0.00 179.45 177.03 2d8y h PRO 68 N -0.39 -0.31 0.11 3.15 0.11 -1.94 -1.21 132.00 131.52 2d8y h PRO 68 Ca -0.04 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2d8y h PRO 68 Cb 0.30 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2d8y h PRO 68 CO 0.06 -0.20 -0.05 0.45 -0.21 0.00 0.00 178.00 178.05 2d8y h HIS 69 N -0.32 -0.14 -0.03 0.65 3.86 -1.95 -1.56 115.15 115.67 2d8y h HIS 69 Ca 0.02 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2d8y h HIS 69 Cb 0.38 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 2d8y h HIS 69 CO -0.55 -0.09 0.59 0.35 0.86 0.00 0.00 177.93 179.09 2d8y h PHE 70 N -0.15 0.00 0.00 2.45 3.57 -0.54 1.35 116.94 123.62 2d8y h PHE 70 Ca -0.02 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 2d8y h PHE 70 Cb 0.12 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2d8y h PHE 70 CO -0.07 0.00 -1.47 -0.97 -2.23 0.00 0.00 178.31 173.57 2d8y h ASN 71 N 0.00 0.00 0.00 0.41 -1.24 -0.19 -3.28 115.58 111.28 2d8y h ASN 71 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2d8y h ASN 71 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2d8y h ASN 71 CO -0.00 0.80 -0.28 1.67 -1.29 0.00 0.00 177.43 178.34 2d8y n GLN 72 N -3.01 0.24 -0.17 6.67 -0.06 0.44 -1.21 117.38 120.27 2d8y n GLN 72 Ca -0.12 0.38 0.29 0.00 -2.00 0.00 0.00 57.00 55.56 2d8y n GLN 72 Cb 0.94 -1.23 0.70 0.00 -4.06 0.00 0.00 30.24 26.59 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 -0.52 0.00 0.00 1.69 3.38 -1.00 -3.11 115.31 115.74 2d8y h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d8y h LEU 73 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2d8y h LEU 73 CO 0.00 0.00 -0.26 0.49 0.09 0.00 0.00 178.44 178.76 2d8y n PHE 74 N -3.85 0.00 -3.02 1.13 3.01 -1.24 -4.99 117.46 108.50 2d8y n PHE 74 Ca 0.19 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.26 2d8y n PHE 74 Cb 1.09 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 40.38 2d8y n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2d8y s LYS 75 N -1.50 4.52 -0.03 -1.08 3.01 -0.35 -5.05 119.74 119.26 2d8y s LYS 75 Ca -0.07 1.10 -0.30 0.00 -1.01 0.00 0.00 55.97 55.68 2d8y s LYS 75 Cb 0.01 -3.25 0.11 0.00 -1.01 0.00 0.00 37.83 33.69 2d8y s LYS 75 CO 0.11 0.58 1.13 -1.12 0.51 0.00 0.00 175.35 176.56 2d8y s SER 76 N -1.15 -0.15 0.26 2.83 0.01 -1.26 -3.58 113.70 110.66 2d8y s SER 76 Ca 0.35 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.46 2d8y s SER 76 Cb -0.23 0.26 0.54 0.00 0.21 0.00 0.00 66.02 66.81 2d8y s SER 76 CO 0.25 -0.46 1.72 0.50 0.41 0.00 0.00 173.24 175.67 2d8y h LYS 77 N 2.00 0.43 -5.88 12.44 3.11 -1.96 -3.47 116.57 123.24 2d8y h LYS 77 Ca -0.22 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2d8y h LYS 77 Cb 1.20 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 2d8y h LYS 77 CO 0.27 0.29 -0.99 0.41 -2.81 0.00 0.00 179.45 176.62 2d8y n GLY 78 N -1.33 -1.71 3.52 5.01 0.00 -1.26 -5.04 105.19 104.37 2d8y n GLY 78 Ca 0.17 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.41 2d8y n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d8y s ASN 79 N -1.21 -0.26 0.23 1.61 2.47 -1.26 -5.19 114.94 111.34 2d8y s ASN 79 Ca -0.00 0.39 -0.12 0.00 0.42 0.00 0.00 52.86 53.54 2d8y s ASN 79 Cb 0.00 1.18 -0.01 0.00 -1.45 0.00 0.00 41.25 40.97 2d8y s ASN 79 CO 0.31 -0.06 0.43 -0.31 -3.72 0.00 0.00 177.10 173.75 2d8y s TYR 80 N 1.54 0.39 -0.11 0.43 1.51 -1.26 -5.06 117.35 114.79 2d8y s TYR 80 Ca -0.06 -0.74 0.14 0.00 -1.01 0.00 0.00 57.07 55.40 2d8y s TYR 80 Cb -0.03 0.12 0.29 0.00 -0.11 0.00 0.00 41.96 42.23 2d8y s TYR 80 CO -0.14 -0.93 1.15 -3.47 -1.11 0.00 0.00 175.55 171.05 2d8y n ASP 81 N -0.35 1.56 -3.59 2.29 -0.08 -1.26 -4.89 116.55 110.24 2d8y n ASP 81 Ca -0.03 -2.98 -0.27 0.00 -1.51 0.00 0.00 54.79 50.00 2d8y n ASP 81 Cb 0.62 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 43.58 2d8y n ASP 81 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2d8y n GLU 82 N -0.83 1.52 -2.70 -0.67 1.02 -1.26 -4.88 120.64 112.84 2d8y n GLU 82 Ca 0.13 -4.10 -0.06 0.00 -0.02 0.00 0.00 57.16 53.11 2d8y n GLU 82 Cb 0.73 -2.02 0.09 0.00 -0.02 0.00 0.00 31.44 30.22 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d8y n GLY 83 N 1.79 1.59 3.09 0.62 0.00 -1.26 -5.09 105.19 105.93 2d8y n GLY 83 Ca 0.25 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.36 2.51 -0.06 1.61 2.19 -1.26 -5.11 117.98 116.50 2d8y s PHE 84 Ca 0.22 -1.41 -0.02 0.00 0.33 0.00 0.00 56.93 56.05 2d8y s PHE 84 Cb 0.42 -1.76 0.04 0.00 -1.31 0.00 0.00 43.02 40.40 2d8y s PHE 84 CO -0.05 -0.71 0.11 0.20 1.83 0.00 0.00 175.22 176.61 2d8y s GLY 85 N 1.24 0.07 -0.33 13.12 0.00 -1.26 -5.10 107.32 115.05 2d8y s GLY 85 Ca 0.02 0.47 -0.40 0.00 0.00 0.00 0.00 44.72 44.81 2d8y s GLY 85 CO -0.09 1.29 1.89 -1.26 0.00 0.00 0.00 173.10 174.92 2d8y n SER 86 N 4.85 2.09 -3.17 1.64 2.88 -1.26 -4.88 113.62 115.77 2d8y n SER 86 Ca -0.14 0.88 -0.21 0.00 -1.33 0.00 0.00 58.87 58.07 2d8y n SER 86 Cb 0.50 -1.13 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 2d8y n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8y n GLY 87 N 5.14 3.11 3.77 0.46 0.00 -1.26 -5.12 105.19 111.29 2d8y n GLY 87 Ca 0.34 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.69 4.08 -0.33 1.61 0.04 -1.26 -5.02 135.00 132.42 2d8y s PRO 88 Ca 0.37 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 2d8y s PRO 88 Cb 0.26 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 32.14 2d8y s PRO 88 CO -0.10 -0.31 0.05 -1.54 0.04 0.00 0.00 177.00 175.14 2d8y s SER 89 N -1.03 4.92 -0.67 6.66 1.04 -1.26 -5.04 113.70 118.32 2d8y s SER 89 Ca 0.56 -1.61 -0.26 0.00 0.48 0.00 0.00 55.95 55.12 2d8y s SER 89 Cb -0.32 -1.71 -0.09 0.00 0.10 0.00 0.00 66.02 64.00 2d8y s SER 89 CO 0.41 -0.35 2.29 -0.44 0.98 0.00 0.00 173.24 176.13 2d8y s SER 90 N 1.34 4.41 0.00 7.02 0.01 -1.26 -5.38 113.70 119.84 2d8y s SER 90 Ca 0.00 0.40 0.14 0.00 1.31 0.00 0.00 55.95 57.80 2d8y s SER 90 Cb -0.20 -2.53 0.83 0.00 0.21 0.00 0.00 66.02 64.32 2d8y s SER 90 CO -0.03 -3.19 1.25 0.61 0.41 0.00 0.00 173.24 172.29