#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 5.42 0.48 1.61 1.04 -1.26 -4.98 113.70 116.02 2d8y s SER 2 Ca 0.00 1.62 -0.23 0.00 0.48 0.00 0.00 55.95 57.82 2d8y s SER 2 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 2d8y s SER 2 CO 0.00 -1.41 1.09 -0.24 0.98 0.00 0.00 173.24 173.65 2d8y n SER 3 N -3.07 1.54 -2.15 7.02 2.88 -1.26 -4.52 113.62 114.07 2d8y n SER 3 Ca 0.08 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2d8y n SER 3 Cb 0.53 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2d8y n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8y n GLY 4 N 1.09 -5.52 3.26 0.46 0.00 -1.26 -5.08 105.19 98.14 2d8y n GLY 4 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.54 0.82 -0.07 1.61 0.01 -1.26 -5.16 113.70 109.10 2d8y s SER 5 Ca 0.00 -1.47 0.05 0.00 1.31 0.00 0.00 55.95 55.84 2d8y s SER 5 Cb 0.00 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.58 2d8y s SER 5 CO 0.00 -0.86 -0.24 -0.55 0.41 0.00 0.00 173.24 172.00 2d8y s SER 6 N -3.26 3.01 0.00 2.44 0.15 -1.26 -5.06 113.70 109.72 2d8y s SER 6 Ca 0.38 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2d8y s SER 6 Cb 0.06 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2d8y s SER 6 CO 0.15 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2d8y n GLY 7 N 3.17 1.63 0.02 9.45 0.00 -1.26 -5.07 105.19 113.12 2d8y n GLY 7 Ca -0.18 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 2d8y n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2d8y n MET 8 N 0.00 2.32 -1.59 1.61 0.00 -1.26 -5.04 117.12 113.17 2d8y n MET 8 Ca 0.00 0.01 -0.45 0.00 0.00 0.00 0.00 57.70 57.26 2d8y n MET 8 Cb 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 33.22 32.10 2d8y n MET 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2d8y n LYS 9 N -2.31 1.31 -2.66 3.17 3.00 -1.26 -4.85 118.16 114.56 2d8y n LYS 9 Ca -0.07 0.46 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 2d8y n LYS 9 Cb 0.62 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.78 2d8y n LYS 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2d8y s PHE 10 N -0.91 2.72 0.15 5.64 0.08 -1.26 -4.93 117.98 119.48 2d8y s PHE 10 Ca 0.61 -1.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 2d8y s PHE 10 Cb -0.73 -4.59 0.01 0.00 -0.57 0.00 0.00 43.02 37.14 2d8y s PHE 10 CO 0.58 -1.80 0.34 -1.14 -0.10 0.00 0.00 175.22 173.10 2d8y s GLN 11 N 4.26 1.14 1.03 0.44 2.00 -1.26 -5.16 119.66 122.11 2d8y s GLN 11 Ca 0.43 -0.99 -0.24 0.00 -2.00 0.00 0.00 55.36 52.56 2d8y s GLN 11 Cb -0.01 0.42 -0.08 0.00 0.80 0.00 0.00 33.01 34.14 2d8y s GLN 11 CO -0.08 -0.43 -0.94 0.00 -0.50 0.00 0.00 175.29 173.34 2d8y n ALA 12 N -0.22 -4.84 0.97 1.58 0.00 -1.26 -4.72 120.51 112.02 2d8y n ALA 12 Ca -0.11 -1.32 0.03 0.00 0.00 0.00 0.00 53.44 52.04 2d8y n ALA 12 Cb 0.63 -1.02 0.16 0.00 0.00 0.00 0.00 19.45 19.22 2d8y n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2d8y n PRO 13 N 0.79 0.49 -3.15 0.00 -0.04 -1.26 -4.40 135.00 127.43 2d8y n PRO 13 Ca -0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2d8y n PRO 13 Cb 0.68 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.96 2d8y n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y s ALA 14 N -2.00 -3.90 0.79 0.55 0.00 -1.26 -5.16 121.76 110.78 2d8y s ALA 14 Ca 0.08 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 2d8y s ALA 14 Cb 0.04 -2.70 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 2d8y s ALA 14 CO 0.06 -1.79 -0.38 2.89 0.00 0.00 0.00 175.76 176.54 2d8y n ARG 15 N 5.29 0.02 -2.92 0.00 0.00 -1.26 -4.89 116.66 112.89 2d8y n ARG 15 Ca 0.00 0.01 -0.39 0.00 -0.00 0.00 0.00 57.85 57.47 2d8y n ARG 15 Cb 0.56 -1.11 -0.06 0.00 -0.00 0.00 0.00 32.46 31.85 2d8y n ARG 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2d8y s GLU 16 N -1.77 4.62 0.08 2.89 2.02 -1.26 -5.00 118.70 120.28 2d8y s GLU 16 Ca 0.49 1.23 0.07 0.00 0.02 0.00 0.00 54.97 56.78 2d8y s GLU 16 Cb -0.31 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2d8y s GLU 16 CO 0.74 0.54 -0.18 0.99 0.02 0.00 0.00 175.26 177.36 2d8y s THR 17 N -1.20 1.46 0.18 3.63 2.01 -1.26 -0.35 115.64 120.12 2d8y s THR 17 Ca 0.38 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 2d8y s THR 17 Cb -0.23 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 2d8y s THR 17 CO 0.27 -0.09 1.09 0.00 -0.69 0.00 0.00 174.62 175.20 2d8y n VAL 19 N 2.27 1.43 0.00 0.00 0.24 -1.05 -1.45 118.33 119.77 2d8y n VAL 19 Ca 0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2d8y n VAL 19 Cb 0.46 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.39 0.00 -0.00 7.34 -0.58 -1.26 -4.85 120.64 121.68 2d8y n GLU 20 Ca 0.15 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.92 2d8y n GLU 20 Cb 0.73 -0.67 -0.03 0.00 -0.57 0.00 0.00 31.44 30.90 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 -1.37 -3.51 -4.84 0.00 1.13 -0.53 -5.00 117.38 103.27 2d8y n GLN 22 Ca 0.00 0.48 -0.27 0.00 -1.94 0.00 0.00 57.00 55.27 2d8y n GLN 22 Cb 0.10 -4.35 -0.17 0.00 0.11 0.00 0.00 30.24 25.94 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 -4.68 2.11 -0.79 -1.09 3.01 -1.26 -4.79 119.74 112.26 2d8y s LYS 23 Ca 0.02 -0.60 -0.36 0.00 -1.01 0.00 0.00 55.97 54.02 2d8y s LYS 23 Cb -0.00 -1.70 -0.21 0.00 -1.01 0.00 0.00 37.83 34.91 2d8y s LYS 23 CO 0.41 0.13 2.46 2.41 0.51 0.00 0.00 175.35 181.27 2d8y n THR 24 N 3.54 0.00 -2.38 2.17 -1.04 -1.26 -2.08 114.28 113.24 2d8y n THR 24 Ca -0.20 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 2d8y n THR 24 Cb 0.52 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 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 7.74 4.20 0.67 12.58 1.01 0.53 -4.90 120.40 142.23 2d8y s VAL 25 Ca 1.29 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 64.62 2d8y s VAL 25 Cb -1.36 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.07 2d8y s VAL 25 CO 0.56 -0.12 1.05 -0.31 0.00 0.00 0.00 175.10 176.28 2d8y s TYR 26 N 3.49 3.32 -2.00 5.22 1.51 -1.26 -4.52 117.35 123.10 2d8y s TYR 26 Ca 0.57 1.33 0.10 0.00 -1.01 0.00 0.00 57.07 58.06 2d8y s TYR 26 Cb -0.23 -2.84 0.60 0.00 -0.11 0.00 0.00 41.96 39.39 2d8y s TYR 26 CO 0.16 -1.04 1.04 -0.35 -1.11 0.00 0.00 175.55 174.26 2d8y n PRO 27 N -2.99 0.49 -0.03 -1.71 -0.04 -1.26 -1.61 135.00 127.85 2d8y n PRO 27 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2d8y n PRO 27 Cb 0.54 -1.32 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 2d8y n PRO 27 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2d8y n MET 28 N -0.82 1.04 -0.10 0.54 2.81 -1.26 -4.53 117.12 114.80 2d8y n MET 28 Ca 0.08 -0.08 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 2d8y n MET 28 Cb 0.03 -1.34 0.15 0.00 -0.71 0.00 0.00 33.22 31.35 2d8y n MET 28 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2d8y n GLU 29 N -2.21 1.34 -2.66 0.03 0.28 -0.89 -4.99 120.64 111.54 2d8y n GLU 29 Ca -0.11 -2.62 -0.42 0.00 -0.16 0.00 0.00 57.16 53.85 2d8y n GLU 29 Cb 0.61 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.94 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 -2.89 3.46 -0.31 3.44 3.52 -0.63 -3.69 118.95 121.84 2d8y s ARG 30 Ca 0.33 0.10 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 2d8y s ARG 30 Cb 0.29 -4.02 0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2d8y s ARG 30 CO 0.03 -1.61 0.04 -1.17 -0.81 0.00 0.00 175.30 171.78 2d8y s LEU 31 N 4.62 4.01 -0.03 -0.88 0.20 0.19 -4.96 118.68 121.83 2d8y s LEU 31 Ca 0.39 -1.16 -0.30 0.00 0.69 0.00 0.00 54.13 53.76 2d8y s LEU 31 Cb -0.09 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 2d8y s LEU 31 CO 0.24 -0.27 1.29 -0.22 -0.29 0.00 0.00 176.35 177.09 2d8y s LEU 32 N 1.33 4.30 -0.20 -0.68 1.98 -1.26 -0.48 118.68 123.66 2d8y s LEU 32 Ca -0.03 1.95 -0.04 0.00 -2.89 0.00 0.00 54.13 53.12 2d8y s LEU 32 Cb -0.19 -3.56 0.10 0.00 0.66 0.00 0.00 46.19 43.20 2d8y s LEU 32 CO 0.01 -0.64 0.31 0.00 -1.89 0.00 0.00 176.35 174.14 2d8y s ALA 33 N 2.28 -0.74 -1.09 5.97 0.00 -0.37 -4.89 121.76 122.92 2d8y s ALA 33 Ca 0.59 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.30 2d8y s ALA 33 Cb -0.28 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.47 2d8y s ALA 33 CO 0.24 -1.04 0.72 -1.71 0.00 0.00 0.00 175.76 173.97 2d8y n ASN 34 N 5.35 -5.20 -3.00 0.00 5.15 -1.26 -2.46 115.26 113.84 2d8y n ASN 34 Ca -0.05 -0.33 -0.21 0.00 -0.60 0.00 0.00 54.58 53.39 2d8y n ASN 34 Cb 0.50 -3.90 0.05 0.00 -0.53 0.00 0.00 39.78 35.90 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 -3.63 -5.73 -3.78 1.20 6.02 -1.26 -5.00 117.38 105.20 2d8y n GLN 35 Ca -0.03 0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 57.62 2d8y n GLN 35 Cb 0.56 -5.53 -0.10 0.00 1.02 0.00 0.00 30.24 26.20 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 -5.86 0.51 -0.13 -1.09 -0.21 -1.03 -5.13 119.66 106.72 2d8y s GLN 36 Ca 0.39 0.05 -0.29 0.00 0.02 0.00 0.00 55.36 55.53 2d8y s GLN 36 Cb -0.17 0.23 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 2d8y s GLN 36 CO 0.49 -0.11 1.28 0.08 -2.12 0.00 0.00 175.29 174.90 2d8y s VAL 37 N -0.69 4.20 0.11 1.09 1.01 -1.26 -1.24 120.40 123.62 2d8y s VAL 37 Ca -0.08 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.44 2d8y s VAL 37 Cb -0.04 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2d8y s VAL 37 CO 0.02 -0.10 -0.15 -0.36 0.00 0.00 0.00 175.10 174.51 2d8y s PHE 38 N 3.21 1.42 -0.19 5.22 0.08 0.36 -2.53 117.98 125.56 2d8y s PHE 38 Ca 0.57 -0.51 -0.21 0.00 0.12 0.00 0.00 56.93 56.90 2d8y s PHE 38 Cb -0.24 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 2d8y s PHE 38 CO 0.18 0.14 0.64 -1.01 -0.10 0.00 0.00 175.22 175.06 2d8y s HIS 39 N -1.76 3.39 0.59 0.36 3.76 -1.26 -0.64 115.29 119.72 2d8y s HIS 39 Ca 0.06 0.96 0.24 0.00 -0.15 0.00 0.00 55.06 56.17 2d8y s HIS 39 Cb -0.07 -2.80 0.83 0.00 1.11 0.00 0.00 32.58 31.65 2d8y s HIS 39 CO 0.03 -0.16 1.23 -0.89 -0.85 0.00 0.00 174.74 174.11 2d8y n ILE 40 N 4.62 0.00 -0.10 0.60 -0.00 -1.24 -0.28 119.36 122.96 2d8y n ILE 40 Ca -0.01 1.20 -0.16 0.00 -0.00 0.00 0.00 62.75 63.78 2d8y n ILE 40 Cb 0.50 -2.16 -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 -3.13 1.88 -0.32 4.38 2.88 -1.26 -4.37 113.62 113.68 2d8y n SER 41 Ca 0.21 0.45 0.18 0.00 -1.33 0.00 0.00 58.87 58.38 2d8y n SER 41 Cb 1.45 -0.86 0.42 0.00 -0.75 0.00 0.00 64.21 64.48 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 -4.70 0.37 -4.12 0.00 7.35 0.47 -4.78 117.46 112.05 2d8y n PHE 43 Ca 0.24 -0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.80 2d8y n PHE 43 Cb 0.72 -1.18 -0.07 0.00 0.35 0.00 0.00 39.48 39.30 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 7.50 1.50 0.14 -4.13 0.52 -1.26 -1.41 118.95 121.82 2d8y s ARG 44 Ca 1.12 -1.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2d8y s ARG 44 Cb -0.57 0.37 -0.07 0.00 0.52 0.00 0.00 34.95 35.20 2d8y s ARG 44 CO 0.38 -0.57 0.93 0.00 0.02 0.00 0.00 175.30 176.06 2d8y n SER 46 N 2.37 1.53 0.00 0.00 7.64 0.26 -0.19 113.62 125.23 2d8y n SER 46 Ca 0.00 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2d8y n SER 46 Cb 0.49 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8y n TYR 47 N 0.08 0.00 0.10 1.43 4.19 -1.26 -4.87 117.16 116.84 2d8y n TYR 47 Ca 0.02 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.26 2d8y n TYR 47 Cb 0.35 0.09 -0.05 0.00 0.49 0.00 0.00 39.34 40.22 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 -1.53 -3.59 -4.65 0.00 4.13 0.73 -4.96 115.26 105.40 2d8y n ASN 49 Ca -0.00 -0.52 -0.32 0.00 1.68 0.00 0.00 54.58 55.42 2d8y n ASN 49 Cb 0.15 -4.17 -0.09 0.00 -1.54 0.00 0.00 39.78 34.12 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2d8y s ASN 50 N -3.74 4.90 0.26 6.41 0.01 -1.26 -4.77 114.94 116.75 2d8y s ASN 50 Ca 0.16 -0.12 -0.31 0.00 -0.71 0.00 0.00 52.86 51.88 2d8y s ASN 50 Cb -0.02 -1.19 -0.11 0.00 0.41 0.00 0.00 41.25 40.34 2d8y s ASN 50 CO 0.58 0.25 1.59 -0.54 -1.51 0.00 0.00 177.10 177.47 2d8y s LYS 51 N -1.76 4.15 0.19 -0.60 -0.14 -1.26 -2.56 119.74 117.76 2d8y s LYS 51 Ca 0.21 2.52 0.02 0.00 -1.36 0.00 0.00 55.97 57.35 2d8y s LYS 51 Cb -0.11 -3.06 -0.01 0.00 -1.68 0.00 0.00 37.83 32.97 2d8y s LYS 51 CO 0.12 -0.62 0.06 1.28 -0.76 0.00 0.00 175.35 175.42 2d8y n LEU 52 N 2.75 0.00 -3.82 3.17 4.77 -0.50 -4.96 117.00 118.41 2d8y n LEU 52 Ca 0.10 -1.39 -0.04 0.00 -0.03 0.00 0.00 56.01 54.65 2d8y n LEU 52 Cb 0.37 0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 2d8y n LEU 52 CO 0.63 -0.21 0.72 -0.55 -1.33 0.00 0.00 177.39 176.65 2d8y s SER 53 N -2.13 -0.07 -1.07 -1.43 0.15 -1.26 -4.91 113.70 102.98 2d8y s SER 53 Ca 0.08 -0.65 -0.24 0.00 0.70 0.00 0.00 55.95 55.84 2d8y s SER 53 Cb 0.00 0.56 -0.12 0.00 -1.71 0.00 0.00 66.02 64.76 2d8y s SER 53 CO 0.06 -1.09 2.02 -0.76 1.20 0.00 0.00 173.24 174.66 2d8y s LEU 54 N -3.16 2.89 0.00 3.45 1.43 -1.26 -2.22 118.68 119.82 2d8y s LEU 54 Ca 0.17 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2d8y s LEU 54 Cb -0.03 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2d8y s LEU 54 CO 0.05 -3.48 0.00 0.61 0.23 0.00 0.00 176.35 173.76 2d8y n GLY 55 N 6.17 0.29 0.74 -3.19 0.00 -1.26 -4.97 105.19 102.97 2d8y n GLY 55 Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 0.97 -4.23 2.61 5.66 -0.94 -4.90 114.28 113.45 2d8y n THR 56 Ca 0.00 -1.62 -0.24 0.00 -3.05 0.00 0.00 64.05 59.14 2d8y n THR 56 Cb 0.00 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 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 -1.44 2.84 -0.30 1.09 -0.85 -1.19 -3.77 117.35 113.72 2d8y s TYR 57 Ca 0.27 -0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 56.53 2d8y s TYR 57 Cb 0.27 -1.29 0.14 0.00 0.38 0.00 0.00 41.96 41.46 2d8y s TYR 57 CO -0.06 0.57 0.73 0.00 -1.52 0.00 0.00 175.55 175.27 2d8y s ALA 58 N -2.13 -2.21 0.24 9.51 0.00 -0.63 -4.88 121.76 121.66 2d8y s ALA 58 Ca 0.31 2.28 0.09 0.00 0.00 0.00 0.00 51.96 54.64 2d8y s ALA 58 Cb -0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2d8y s ALA 58 CO 0.21 -0.92 -0.02 0.45 0.00 0.00 0.00 175.76 175.47 2d8y s SER 59 N 2.76 4.51 0.03 0.00 0.15 -1.26 0.64 113.70 120.52 2d8y s SER 59 Ca -0.05 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2d8y s SER 59 Cb -0.10 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 2d8y s SER 59 CO -0.19 0.03 0.00 -0.11 1.20 0.00 0.00 173.24 174.17 2d8y n LEU 60 N -0.64 0.15 -2.07 3.45 7.94 -1.20 -4.89 117.00 119.73 2d8y n LEU 60 Ca -0.08 0.04 -0.26 0.00 -1.11 0.00 0.00 56.01 54.60 2d8y n LEU 60 Cb 0.58 -0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.54 2d8y n LEU 60 CO 0.39 -0.55 0.54 1.41 -1.11 0.00 0.00 177.39 178.08 2d8y n HIS 61 N -2.68 2.82 0.00 1.96 8.25 -1.26 -4.88 115.22 119.43 2d8y n HIS 61 Ca 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 57.72 55.04 2d8y n HIS 61 Cb 0.00 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.46 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 -0.78 2.70 3.71 -1.41 0.00 -1.26 -5.04 105.19 103.11 2d8y n GLY 62 Ca 0.49 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 4.43 0.52 1.61 0.52 -1.26 -5.03 118.95 119.74 2d8y s ARG 63 Ca 0.00 0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 55.99 2d8y s ARG 63 Cb 0.00 -3.47 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 2d8y s ARG 63 CO 0.00 -0.01 1.03 0.42 0.02 0.00 0.00 175.30 176.76 2d8y s ILE 64 N 1.04 3.95 -0.01 1.52 -1.09 -1.26 -3.21 121.20 122.13 2d8y s ILE 64 Ca 0.39 1.07 -0.10 0.00 -2.23 0.00 0.00 60.65 59.78 2d8y s ILE 64 Cb -0.18 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2d8y s ILE 64 CO 0.19 -0.40 0.21 -0.31 -1.23 0.00 0.00 174.94 173.39 2d8y s TYR 65 N -2.25 -0.06 0.19 3.97 2.02 0.21 -0.57 117.35 120.85 2d8y s TYR 65 Ca 0.64 0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 57.14 2d8y s TYR 65 Cb -0.15 0.01 -0.08 0.00 -0.40 0.00 0.00 41.96 41.34 2d8y s TYR 65 CO 0.27 -0.31 0.85 0.00 -1.57 0.00 0.00 175.55 174.79 2d8y n LYS 67 N 1.63 -0.13 -0.02 0.00 4.01 -1.25 0.16 118.16 122.56 2d8y n LYS 67 Ca -0.04 0.94 -0.07 0.00 -0.51 0.00 0.00 58.31 58.62 2d8y n LYS 67 Cb 0.48 -1.39 -0.05 0.00 -0.51 0.00 0.00 35.03 33.56 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 -0.25 -0.79 1.97 0.11 -1.93 0.20 132.00 131.31 2d8y h PRO 68 Ca 0.22 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 2d8y h PRO 68 Cb 0.37 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 2d8y h PRO 68 CO -0.61 -0.17 0.48 0.45 -0.21 0.00 0.00 178.00 177.95 2d8y h HIS 69 N -0.26 1.02 0.03 0.65 3.86 -1.23 -2.76 115.15 116.46 2d8y h HIS 69 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2d8y h HIS 69 Cb 0.32 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2d8y h HIS 69 CO -0.54 0.68 -0.04 0.35 0.86 0.00 0.00 177.93 179.24 2d8y h PHE 70 N 1.07 -0.11 0.00 2.45 3.04 0.23 0.44 116.94 124.06 2d8y h PHE 70 Ca 0.28 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2d8y h PHE 70 Cb -0.06 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.50 2d8y h PHE 70 CO -0.01 -0.05 0.58 -0.91 -2.02 0.00 0.00 178.31 175.90 2d8y h ASN 71 N -0.07 0.00 0.00 0.41 2.35 -0.63 0.79 115.58 118.43 2d8y h ASN 71 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2d8y h ASN 71 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2d8y h ASN 71 CO -0.01 0.00 0.00 1.67 -1.65 0.00 0.00 177.43 177.44 2d8y n GLN 72 N -2.65 0.00 -0.30 0.81 7.27 -0.41 -2.40 117.38 119.70 2d8y n GLN 72 Ca -0.01 0.26 0.04 0.00 0.07 0.00 0.00 57.00 57.36 2d8y n GLN 72 Cb 0.61 -0.72 0.24 0.00 2.41 0.00 0.00 30.24 32.78 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 0.91 0.28 1.69 3.38 0.22 -3.13 115.31 118.66 2d8y h LEU 73 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2d8y h LEU 73 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2d8y h LEU 73 CO 0.00 0.58 -0.13 -0.26 0.09 0.00 0.00 178.44 178.72 2d8y h PHE 74 N 1.03 -0.35 -2.39 1.13 -1.00 0.43 -3.47 116.94 112.33 2d8y h PHE 74 Ca 0.39 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 61.06 2d8y h PHE 74 Cb 0.20 0.11 0.04 0.00 3.61 0.00 0.00 35.95 39.92 2d8y h PHE 74 CO -0.00 -0.22 0.09 1.17 -1.61 0.00 0.00 178.31 177.75 2d8y n LYS 75 N -4.39 -0.42 -2.67 1.51 4.81 -1.01 -4.65 118.16 111.34 2d8y n LYS 75 Ca -0.05 -0.48 -0.06 0.00 -0.87 0.00 0.00 58.31 56.85 2d8y n LYS 75 Cb 0.15 -0.33 0.02 0.00 0.02 0.00 0.00 35.03 34.89 2d8y n LYS 75 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2d8y n SER 76 N -3.22 -2.82 -4.32 3.14 7.64 -1.26 -4.64 113.62 108.14 2d8y n SER 76 Ca 0.04 -0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.54 2d8y n SER 76 Cb 0.14 -1.82 -0.11 0.00 -1.01 0.00 0.00 64.21 61.40 2d8y n SER 76 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2d8y s LYS 77 N -5.03 1.23 0.63 1.43 2.47 -1.26 -5.09 119.74 114.12 2d8y s LYS 77 Ca 0.11 -1.36 -0.16 0.00 -1.56 0.00 0.00 55.97 53.00 2d8y s LYS 77 Cb -0.05 -1.28 -0.13 0.00 -1.46 0.00 0.00 37.83 34.91 2d8y s LYS 77 CO 0.21 0.26 -0.36 0.41 0.16 0.00 0.00 175.35 176.03 2d8y n GLY 78 N 0.41 -3.38 3.36 5.54 0.00 -1.26 -4.43 105.19 105.43 2d8y n GLY 78 Ca -0.14 -0.39 -0.52 0.00 0.00 0.00 0.00 46.02 44.97 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 2.58 0.75 -3.92 1.61 3.02 -1.26 -4.87 115.26 113.17 2d8y n ASN 79 Ca 0.03 0.45 -0.09 0.00 -0.03 0.00 0.00 54.58 54.95 2d8y n ASN 79 Cb 0.45 -0.96 -0.07 0.00 -0.61 0.00 0.00 39.78 38.59 2d8y n ASN 79 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2d8y s TYR 80 N 7.32 0.29 -0.26 3.10 2.02 -1.26 -5.05 117.35 123.51 2d8y s TYR 80 Ca 1.24 -0.70 0.12 0.00 -0.37 0.00 0.00 57.07 57.36 2d8y s TYR 80 Cb -1.33 -0.10 0.60 0.00 -0.40 0.00 0.00 41.96 40.74 2d8y s TYR 80 CO 0.58 -0.59 1.58 -3.47 -1.57 0.00 0.00 175.55 172.08 2d8y n ASP 81 N -0.10 3.87 -2.31 2.29 -0.08 -1.26 -4.51 116.55 114.44 2d8y n ASP 81 Ca -0.12 -3.29 -0.19 0.00 -1.51 0.00 0.00 54.79 49.68 2d8y n ASP 81 Cb 0.63 -0.64 0.02 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.56 3.04 -2.69 -0.67 -0.58 -1.26 -4.87 120.64 113.06 2d8y n GLU 82 Ca 0.32 -4.05 -0.05 0.00 -0.42 0.00 0.00 57.16 52.97 2d8y n GLU 82 Cb 1.12 -2.07 0.05 0.00 -0.57 0.00 0.00 31.44 29.97 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d8y n GLY 83 N -0.60 -1.35 3.81 0.62 0.00 -1.26 -5.02 105.19 101.39 2d8y n GLY 83 Ca 0.33 0.90 -0.38 0.00 0.00 0.00 0.00 46.02 46.88 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 0.51 3.77 -0.17 1.61 5.36 -1.26 -4.85 117.98 122.94 2d8y s PHE 84 Ca 0.27 1.36 -0.21 0.00 -0.96 0.00 0.00 56.93 57.39 2d8y s PHE 84 Cb 0.17 -2.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 2d8y s PHE 84 CO -0.11 0.49 0.62 0.20 -1.46 0.00 0.00 175.22 174.97 2d8y s GLY 85 N -1.32 2.15 -0.29 13.12 0.00 -1.26 -4.98 107.32 114.74 2d8y s GLY 85 Ca 0.35 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.81 2d8y s GLY 85 CO 0.21 1.25 0.60 -0.56 0.00 0.00 0.00 173.10 174.60 2d8y s SER 86 N 1.10 -1.16 -0.29 1.64 0.01 -1.26 -5.16 113.70 108.58 2d8y s SER 86 Ca 0.30 1.09 -0.23 0.00 1.31 0.00 0.00 55.95 58.42 2d8y s SER 86 Cb -0.16 2.12 0.17 0.00 0.21 0.00 0.00 66.02 68.36 2d8y s SER 86 CO 0.11 -0.25 1.26 -0.83 0.41 0.00 0.00 173.24 173.94 2d8y s GLY 87 N 2.85 0.21 0.32 3.44 0.00 -1.26 -5.03 107.32 107.84 2d8y s GLY 87 Ca 0.10 3.28 -0.29 0.00 0.00 0.00 0.00 44.72 47.81 2d8y s GLY 87 CO -0.20 2.06 1.22 2.56 0.00 0.00 0.00 173.10 178.75 2d8y s PRO 88 N 0.32 4.45 -0.13 2.90 0.04 -1.26 -4.91 135.00 136.41 2d8y s PRO 88 Ca 0.03 2.05 -0.40 0.00 0.04 0.00 0.00 61.00 62.72 2d8y s PRO 88 Cb -0.05 -3.10 -0.17 0.00 0.04 0.00 0.00 34.50 31.23 2d8y s PRO 88 CO -0.12 -0.04 1.49 0.43 0.04 0.00 0.00 177.00 178.79 2d8y n SER 89 N 0.91 1.67 -4.35 6.66 7.64 -1.26 -4.94 113.62 119.95 2d8y n SER 89 Ca -0.00 1.12 -0.33 0.00 1.01 0.00 0.00 58.87 60.66 2d8y n SER 89 Cb 0.43 -1.10 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 2d8y n SER 89 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8y s SER 90 N 1.85 4.01 0.00 6.43 1.04 -1.26 -5.21 113.70 120.57 2d8y s SER 90 Ca 0.93 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2d8y s SER 90 Cb -1.10 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2d8y s SER 90 CO 0.59 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.55