#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 3.99 0.27 1.61 0.15 -1.26 -5.11 113.70 113.36 2d8y s SER 2 Ca 0.00 -1.41 0.01 0.00 0.70 0.00 0.00 55.95 55.25 2d8y s SER 2 Cb 0.00 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 2d8y s SER 2 CO 0.00 -0.30 0.27 -0.55 1.20 0.00 0.00 173.24 173.86 2d8y s SER 3 N 1.38 0.77 -0.37 5.45 0.15 -1.26 -5.10 113.70 114.72 2d8y s SER 3 Ca 0.00 -1.49 0.06 0.00 0.70 0.00 0.00 55.95 55.22 2d8y s SER 3 Cb -0.19 0.50 0.26 0.00 -1.71 0.00 0.00 66.02 64.89 2d8y s SER 3 CO -0.10 -1.02 1.24 0.61 1.20 0.00 0.00 173.24 175.17 2d8y n GLY 4 N -0.45 0.41 3.11 9.45 0.00 -1.26 -5.15 105.19 111.31 2d8y n GLY 4 Ca 0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2d8y n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8y s SER 5 N -0.79 1.27 -0.30 1.61 0.15 -1.26 -5.14 113.70 109.24 2d8y s SER 5 Ca 0.15 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 2d8y s SER 5 Cb 0.27 -0.02 0.17 0.00 -1.71 0.00 0.00 66.02 64.72 2d8y s SER 5 CO -0.06 -0.11 0.97 -0.44 1.20 0.00 0.00 173.24 174.80 2d8y s SER 6 N -1.49 -0.63 0.00 5.45 0.01 -1.26 -5.16 113.70 110.62 2d8y s SER 6 Ca -0.05 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2d8y s SER 6 Cb -0.09 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.77 2d8y s SER 6 CO 0.01 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2d8y n GLY 7 N 5.17 3.05 3.51 3.44 0.00 -1.26 -4.96 105.19 114.14 2d8y n GLY 7 Ca -0.08 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.92 3.22 -0.03 1.61 1.00 -1.26 -4.92 119.30 116.00 2d8y s MET 8 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 55.69 54.76 2d8y s MET 8 Cb 0.00 -4.36 0.11 0.00 0.00 0.00 0.00 34.83 30.59 2d8y s MET 8 CO 0.00 -2.02 1.19 0.21 0.00 0.00 0.00 175.02 174.40 2d8y s LYS 9 N 4.91 0.53 -0.49 2.03 2.20 -1.26 -5.03 119.74 122.63 2d8y s LYS 9 Ca 0.31 -0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.65 2d8y s LYS 9 Cb -0.10 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 2d8y s LYS 9 CO 0.09 -0.24 0.41 0.34 -0.36 0.00 0.00 175.35 175.59 2d8y n PHE 10 N -0.38 -0.91 -1.15 4.03 7.35 -1.26 -4.84 117.46 120.30 2d8y n PHE 10 Ca -0.06 0.38 -0.48 0.00 -0.76 0.00 0.00 57.45 56.53 2d8y n PHE 10 Cb 0.61 -3.17 -0.08 0.00 0.35 0.00 0.00 39.48 37.20 2d8y n PHE 10 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2d8y n GLN 11 N -2.26 0.00 -0.29 -4.13 1.13 -1.26 -4.76 117.38 105.81 2d8y n GLN 11 Ca -0.10 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.88 2d8y n GLN 11 Cb 0.56 -1.10 -0.07 0.00 0.11 0.00 0.00 30.24 29.74 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d8y n ALA 12 N 3.91 -0.44 -1.00 -1.58 0.00 -1.26 -4.47 120.51 115.67 2d8y n ALA 12 Ca 0.29 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.31 2d8y n ALA 12 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.72 0.39 -2.07 0.00 -0.04 -1.26 -4.96 135.00 122.34 2d8y n PRO 13 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 2d8y n PRO 13 Cb 0.18 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.66 2d8y n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n ALA 14 N -3.00 5.79 -3.85 0.55 0.00 -1.26 -4.99 120.51 113.75 2d8y n ALA 14 Ca 0.00 -4.09 -0.06 0.00 0.00 0.00 0.00 53.44 49.29 2d8y n ALA 14 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.79 1.82 0.41 0.00 3.03 -1.26 -5.18 118.95 113.98 2d8y s ARG 15 Ca 0.52 -1.18 0.03 0.00 2.03 0.00 0.00 55.73 57.13 2d8y s ARG 15 Cb 0.43 0.50 -0.00 0.00 -1.03 0.00 0.00 34.95 34.85 2d8y s ARG 15 CO -0.23 -0.85 0.60 -1.21 -1.13 0.00 0.00 175.30 172.47 2d8y s GLU 16 N -2.10 3.01 0.01 3.89 0.41 -1.26 -4.73 118.70 117.93 2d8y s GLU 16 Ca 0.19 -0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 53.97 2d8y s GLU 16 Cb -0.04 -2.67 -0.01 0.00 -1.78 0.00 0.00 34.13 29.63 2d8y s GLU 16 CO 0.09 -0.19 -0.01 0.99 -0.49 0.00 0.00 175.26 175.65 2d8y s THR 17 N -2.41 0.08 0.14 3.63 2.01 -1.26 -2.83 115.64 114.99 2d8y s THR 17 Ca 0.48 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 2d8y s THR 17 Cb -0.10 -0.21 -0.09 0.00 0.01 0.00 0.00 72.50 72.12 2d8y s THR 17 CO 0.35 -0.37 1.43 0.00 -0.69 0.00 0.00 174.62 175.33 2d8y n VAL 19 N 3.83 0.53 0.02 0.00 0.24 -1.13 -1.30 118.33 120.52 2d8y n VAL 19 Ca 0.12 -0.32 -0.02 0.00 -2.04 0.00 0.00 64.34 62.07 2d8y n VAL 19 Cb 0.41 -0.20 -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 0.13 0.09 -0.00 7.34 -0.58 -1.26 -4.81 120.64 121.53 2d8y n GLU 20 Ca 0.07 0.04 0.10 0.00 -0.42 0.00 0.00 57.16 56.95 2d8y n GLU 20 Cb 0.36 -0.65 -0.13 0.00 -0.57 0.00 0.00 31.44 30.44 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 -1.74 -3.97 -4.42 0.00 1.13 -0.42 -5.02 117.38 102.95 2d8y n GLN 22 Ca 0.01 0.47 -0.26 0.00 -1.94 0.00 0.00 57.00 55.29 2d8y n GLN 22 Cb 0.40 -4.39 -0.11 0.00 0.11 0.00 0.00 30.24 26.25 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 1.50 -0.28 -1.09 1.02 -1.25 -4.82 119.74 109.74 2d8y s LYS 23 Ca 0.11 -1.54 -0.28 0.00 0.02 0.00 0.00 55.97 54.28 2d8y s LYS 23 Cb -0.05 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2d8y s LYS 23 CO 0.41 0.37 2.16 0.99 -0.92 0.00 0.00 175.35 178.35 2d8y s THR 24 N -1.84 3.10 -0.20 2.17 2.01 -1.26 -0.19 115.64 119.44 2d8y s THR 24 Ca 0.21 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 2d8y s THR 24 Cb -0.07 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2d8y s THR 24 CO 0.10 -0.10 1.04 -0.69 -0.69 0.00 0.00 174.62 174.28 2d8y s VAL 25 N 8.51 4.69 0.64 3.82 1.01 -1.13 -4.90 120.40 133.04 2d8y s VAL 25 Ca 0.96 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 64.85 2d8y s VAL 25 Cb -0.29 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 2d8y s VAL 25 CO 0.33 -0.13 1.02 -0.31 0.00 0.00 0.00 175.10 176.01 2d8y s TYR 26 N 2.91 3.44 -2.00 5.22 1.51 -1.26 -4.62 117.35 122.54 2d8y s TYR 26 Ca 0.45 1.06 0.10 0.00 -1.01 0.00 0.00 57.07 57.67 2d8y s TYR 26 Cb -0.16 -2.84 0.60 0.00 -0.11 0.00 0.00 41.96 39.45 2d8y s TYR 26 CO 0.09 -0.88 1.04 -0.35 -1.11 0.00 0.00 175.55 174.34 2d8y n PRO 27 N -2.80 0.49 -0.06 -1.71 -0.04 -1.26 -1.51 135.00 128.11 2d8y n PRO 27 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2d8y n PRO 27 Cb 0.56 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.82 1.37 -0.18 0.54 0.00 -1.26 -4.52 117.12 112.25 2d8y n MET 28 Ca 0.08 -0.04 0.10 0.00 0.00 0.00 0.00 57.70 57.83 2d8y n MET 28 Cb 0.03 -1.37 0.17 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 1.77 -2.67 3.17 0.28 -0.93 -4.98 120.64 114.86 2d8y n GLU 29 Ca -0.19 -2.65 -0.42 0.00 -0.16 0.00 0.00 57.16 53.74 2d8y n GLU 29 Cb 0.84 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 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 -2.85 3.45 -0.33 3.44 3.52 -0.57 -3.70 118.95 121.92 2d8y s ARG 30 Ca 0.35 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 2d8y s ARG 30 Cb 0.30 -4.03 0.06 0.00 -1.56 0.00 0.00 34.95 29.72 2d8y s ARG 30 CO 0.05 -1.62 0.06 -1.17 -0.81 0.00 0.00 175.30 171.81 2d8y s LEU 31 N 4.63 4.26 0.06 -0.88 0.20 0.08 -4.96 118.68 122.07 2d8y s LEU 31 Ca 0.39 -1.43 -0.31 0.00 0.69 0.00 0.00 54.13 53.47 2d8y s LEU 31 Cb -0.09 -1.76 -0.07 0.00 -0.43 0.00 0.00 46.19 43.84 2d8y s LEU 31 CO 0.23 -0.33 1.43 -0.22 -0.29 0.00 0.00 176.35 177.17 2d8y s LEU 32 N 1.25 4.35 -0.20 -0.68 1.98 -1.26 -0.40 118.68 123.71 2d8y s LEU 32 Ca -0.02 2.26 -0.04 0.00 -2.89 0.00 0.00 54.13 53.45 2d8y s LEU 32 Cb -0.20 -3.57 0.10 0.00 0.66 0.00 0.00 46.19 43.18 2d8y s LEU 32 CO -0.01 -0.71 0.32 0.00 -1.89 0.00 0.00 176.35 174.06 2d8y s ALA 33 N 1.83 -0.80 -1.08 5.97 0.00 0.31 -4.90 121.76 123.10 2d8y s ALA 33 Ca 0.66 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 53.39 2d8y s ALA 33 Cb -0.35 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.37 2d8y s ALA 33 CO 0.29 -1.05 0.94 -1.71 0.00 0.00 0.00 175.76 174.23 2d8y n ASN 34 N 5.35 -5.49 -2.47 0.00 5.15 -1.26 -2.27 115.26 114.27 2d8y n ASN 34 Ca -0.05 -0.43 -0.19 0.00 -0.60 0.00 0.00 54.58 53.31 2d8y n ASN 34 Cb 0.50 -4.09 0.02 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.08 -3.35 -3.82 1.20 6.02 -1.26 -4.99 117.38 107.10 2d8y n GLN 35 Ca 0.01 0.83 -0.12 0.00 -0.01 0.00 0.00 57.00 57.71 2d8y n GLN 35 Cb 0.55 -5.43 -0.11 0.00 1.02 0.00 0.00 30.24 26.27 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 -5.34 0.42 -0.13 -1.09 -0.21 -0.96 -5.13 119.66 107.22 2d8y s GLN 36 Ca 0.18 -0.05 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 2d8y s GLN 36 Cb -0.08 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 2d8y s GLN 36 CO 0.22 -0.09 1.23 0.08 -2.12 0.00 0.00 175.29 174.61 2d8y s VAL 37 N -0.71 4.29 0.11 1.09 1.01 -1.26 -0.53 120.40 124.39 2d8y s VAL 37 Ca -0.08 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.54 2d8y s VAL 37 Cb -0.05 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2d8y s VAL 37 CO 0.01 -0.09 -0.16 -0.36 0.00 0.00 0.00 175.10 174.50 2d8y s PHE 38 N 3.07 1.50 -0.19 5.22 0.08 0.47 -2.86 117.98 125.27 2d8y s PHE 38 Ca 0.55 -0.48 -0.23 0.00 0.12 0.00 0.00 56.93 56.89 2d8y s PHE 38 Cb -0.22 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2d8y s PHE 38 CO 0.17 0.16 0.74 -1.01 -0.10 0.00 0.00 175.22 175.17 2d8y s HIS 39 N -1.62 3.38 0.57 0.36 3.76 -1.26 -0.74 115.29 119.74 2d8y s HIS 39 Ca 0.06 1.08 0.26 0.00 -0.15 0.00 0.00 55.06 56.31 2d8y s HIS 39 Cb -0.08 -2.92 0.89 0.00 1.11 0.00 0.00 32.58 31.59 2d8y s HIS 39 CO 0.04 -0.23 1.23 -0.89 -0.85 0.00 0.00 174.74 174.03 2d8y n ILE 40 N 4.80 0.00 -0.10 0.60 -0.00 -1.24 -0.16 119.36 123.26 2d8y n ILE 40 Ca 0.02 1.20 -0.16 0.00 -0.00 0.00 0.00 62.75 63.81 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 -3.16 1.87 -0.35 4.38 2.88 -1.26 -4.37 113.62 113.62 2d8y n SER 41 Ca 0.23 0.46 0.15 0.00 -1.33 0.00 0.00 58.87 58.38 2d8y n SER 41 Cb 1.47 -0.87 0.35 0.00 -0.75 0.00 0.00 64.21 64.41 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 -4.78 0.47 -4.09 0.00 7.35 0.48 -4.79 117.46 112.10 2d8y n PHE 43 Ca 0.24 0.11 -0.14 0.00 -0.76 0.00 0.00 57.45 56.90 2d8y n PHE 43 Cb 0.63 -1.53 -0.05 0.00 0.35 0.00 0.00 39.48 38.88 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 7.96 1.85 0.07 -4.13 0.52 -1.26 -2.32 118.95 121.63 2d8y s ARG 44 Ca 1.24 -1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 2d8y s ARG 44 Cb -0.78 0.44 -0.06 0.00 0.52 0.00 0.00 34.95 35.07 2d8y s ARG 44 CO 0.44 -0.76 0.76 0.00 0.02 0.00 0.00 175.30 175.77 2d8y n SER 46 N 2.53 0.60 0.01 0.00 7.64 -0.86 -0.33 113.62 123.22 2d8y n SER 46 Ca -0.03 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2d8y n SER 46 Cb 0.50 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.18 -0.01 -0.03 1.43 4.19 -1.26 -4.86 117.16 116.44 2d8y n TYR 47 Ca 0.00 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.24 2d8y n TYR 47 Cb 0.15 0.01 -0.13 0.00 0.49 0.00 0.00 39.34 39.86 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 -2.28 -2.81 -4.63 0.00 5.15 0.55 -4.97 115.26 106.28 2d8y n ASN 49 Ca -0.12 -0.33 -0.27 0.00 -0.60 0.00 0.00 54.58 53.26 2d8y n ASN 49 Cb 0.66 -2.89 -0.08 0.00 -0.53 0.00 0.00 39.78 36.93 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 -3.53 4.58 0.17 1.20 0.01 -1.26 -4.79 114.94 111.32 2d8y s ASN 50 Ca 0.08 -0.46 -0.31 0.00 -0.71 0.00 0.00 52.86 51.46 2d8y s ASN 50 Cb -0.01 -0.91 -0.09 0.00 0.41 0.00 0.00 41.25 40.65 2d8y s ASN 50 CO 0.38 0.10 1.40 -0.54 -1.51 0.00 0.00 177.10 176.93 2d8y s LYS 51 N -2.87 4.31 0.35 -0.60 -0.14 -1.26 -2.73 119.74 116.80 2d8y s LYS 51 Ca 0.26 2.15 0.03 0.00 -1.36 0.00 0.00 55.97 57.06 2d8y s LYS 51 Cb -0.09 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 2d8y s LYS 51 CO 0.17 -0.40 0.10 -0.51 -0.76 0.00 0.00 175.35 173.95 2d8y s LEU 52 N 0.47 1.98 0.00 3.17 1.43 -0.98 -4.98 118.68 119.76 2d8y s LEU 52 Ca 0.62 -1.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2d8y s LEU 52 Cb -0.39 -0.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 2d8y s LEU 52 CO 0.35 -0.78 0.09 -1.20 0.23 0.00 0.00 176.35 175.04 2d8y n SER 53 N -0.93 1.29 -1.88 2.29 7.64 -1.26 -4.88 113.62 115.89 2d8y n SER 53 Ca -0.03 -2.48 -0.07 0.00 1.01 0.00 0.00 58.87 57.30 2d8y n SER 53 Cb 0.66 0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 64.42 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 4.64 0.00 -3.43 4.77 -1.26 -2.82 117.00 118.90 2d8y n LEU 54 Ca -0.05 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 2d8y n LEU 54 Cb 0.42 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2d8y n LEU 54 CO 0.22 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 2d8y n GLY 55 N 2.20 0.06 0.03 -0.72 0.00 -1.26 -4.93 105.19 100.58 2d8y n GLY 55 Ca 0.24 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.62 0.16 -1.46 2.61 -2.24 -1.19 -4.96 114.28 106.59 2d8y n THR 56 Ca 0.00 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 2d8y n THR 56 Cb 0.00 0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.62 2d8y n THR 56 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2d8y s TYR 57 N -3.27 1.25 -0.30 4.78 1.13 -1.13 -2.61 117.35 117.21 2d8y s TYR 57 Ca 0.01 0.50 -0.11 0.00 -1.41 0.00 0.00 57.07 56.06 2d8y s TYR 57 Cb 0.14 -3.68 0.18 0.00 -1.10 0.00 0.00 41.96 37.50 2d8y s TYR 57 CO 0.83 -3.17 0.99 0.00 -2.51 0.00 0.00 175.55 171.69 2d8y s ALA 58 N -3.37 -3.40 -0.01 9.51 0.00 -0.18 -4.70 121.76 119.61 2d8y s ALA 58 Ca 0.71 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 54.09 2d8y s ALA 58 Cb -0.09 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2d8y s ALA 58 CO 0.55 -1.57 0.15 -1.54 0.00 0.00 0.00 175.76 173.34 2d8y s SER 59 N 2.94 6.14 0.00 0.00 1.04 -1.26 -1.14 113.70 121.42 2d8y s SER 59 Ca 0.06 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2d8y s SER 59 Cb -0.09 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2d8y s SER 59 CO -0.14 0.28 0.00 -0.11 0.98 0.00 0.00 173.24 174.24 2d8y n LEU 60 N 1.09 0.00 -1.80 2.42 7.94 -1.16 -4.87 117.00 120.63 2d8y n LEU 60 Ca -0.12 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.59 2d8y n LEU 60 Cb 0.53 -0.02 0.13 0.00 0.53 0.00 0.00 43.42 44.59 2d8y n LEU 60 CO 0.41 -0.32 0.84 1.41 -1.11 0.00 0.00 177.39 178.62 2d8y n HIS 61 N -1.98 2.27 0.00 1.96 8.25 -1.26 -4.87 115.22 119.59 2d8y n HIS 61 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 55.32 2d8y n HIS 61 Cb 0.00 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.35 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 -0.98 2.00 3.80 -1.41 0.00 -1.26 -5.07 105.19 102.27 2d8y n GLY 62 Ca 0.47 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 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 4.35 0.39 1.61 1.81 -1.26 -5.03 118.95 120.83 2d8y s ARG 63 Ca 0.00 0.96 -0.08 0.00 -1.72 0.00 0.00 55.73 54.89 2d8y s ARG 63 Cb 0.00 -3.01 -0.06 0.00 -0.45 0.00 0.00 34.95 31.43 2d8y s ARG 63 CO 0.00 0.46 0.72 0.42 -0.68 0.00 0.00 175.30 176.22 2d8y s ILE 64 N -1.39 4.86 -0.06 1.52 -1.09 -1.26 -2.97 121.20 120.80 2d8y s ILE 64 Ca 0.40 0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 58.99 2d8y s ILE 64 Cb -0.19 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 2d8y s ILE 64 CO 0.22 -0.53 0.58 -0.31 -1.23 0.00 0.00 174.94 173.68 2d8y s TYR 65 N -2.36 -0.54 0.15 3.97 2.02 -0.29 -2.02 117.35 118.27 2d8y s TYR 65 Ca 0.49 0.98 -0.26 0.00 -0.37 0.00 0.00 57.07 57.91 2d8y s TYR 65 Cb -0.10 0.31 -0.08 0.00 -0.40 0.00 0.00 41.96 41.69 2d8y s TYR 65 CO 0.33 -0.52 0.78 0.00 -1.57 0.00 0.00 175.55 174.58 2d8y n LYS 67 N 1.83 -0.13 -0.02 0.00 4.01 -1.07 0.43 118.16 123.22 2d8y n LYS 67 Ca -0.05 0.72 -0.06 0.00 -0.51 0.00 0.00 58.31 58.42 2d8y n LYS 67 Cb 0.49 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.90 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 -0.07 1.97 0.11 -1.92 0.17 132.00 132.06 2d8y h PRO 68 Ca 0.15 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2d8y h PRO 68 Cb 0.27 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 2d8y h PRO 68 CO -0.46 -0.13 0.03 0.45 -0.21 0.00 0.00 178.00 177.68 2d8y h HIS 69 N -0.21 0.10 -0.68 0.65 3.86 -1.07 0.44 115.15 118.24 2d8y h HIS 69 Ca 0.02 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.35 2d8y h HIS 69 Cb 0.25 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 28.56 2d8y h HIS 69 CO -0.53 0.17 -0.21 0.35 0.86 0.00 0.00 177.93 178.57 2d8y h PHE 70 N -0.00 -0.50 0.02 2.45 3.04 0.17 0.25 116.94 122.37 2d8y h PHE 70 Ca 0.02 0.07 -0.26 0.00 3.98 0.00 0.00 57.97 61.78 2d8y h PHE 70 Cb 0.11 0.33 0.02 0.00 2.56 0.00 0.00 35.95 38.97 2d8y h PHE 70 CO -0.04 -0.32 -1.06 -0.91 -2.02 0.00 0.00 178.31 173.96 2d8y h ASN 71 N -0.04 0.80 -0.04 0.41 2.35 -0.54 0.63 115.58 119.16 2d8y h ASN 71 Ca 0.31 -0.66 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 2d8y h ASN 71 Cb 0.52 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2d8y h ASN 71 CO -0.72 1.47 0.08 -0.61 -1.65 0.00 0.00 177.43 176.00 2d8y h GLN 72 N 0.33 0.00 0.00 0.81 4.15 0.14 -2.10 115.11 118.43 2d8y h GLN 72 Ca -0.13 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.03 2d8y h GLN 72 Cb 1.71 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.36 2d8y h GLN 72 CO 0.20 0.00 -1.87 1.28 -1.93 0.00 0.00 178.83 176.51 2d8y n LEU 73 N -3.51 1.12 0.00 -2.39 4.77 0.74 -4.85 117.00 112.88 2d8y n LEU 73 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2d8y n LEU 73 Cb 0.16 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2d8y n LEU 73 CO 0.24 0.33 0.28 0.49 -1.33 0.00 0.00 177.39 177.40 2d8y n PHE 74 N -3.69 0.00 -1.18 -1.77 3.01 0.22 -4.80 117.46 109.25 2d8y n PHE 74 Ca -0.31 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.77 2d8y n PHE 74 Cb 0.72 -0.15 0.02 0.00 -0.01 0.00 0.00 39.48 40.05 2d8y n PHE 74 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2d8y n LYS 75 N -0.96 0.00 -3.30 -1.08 4.81 -0.80 -4.97 118.16 111.86 2d8y n LYS 75 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2d8y n LYS 75 Cb 0.00 -1.00 0.01 0.00 0.02 0.00 0.00 35.03 34.06 2d8y n LYS 75 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2d8y n SER 76 N 2.77 -0.94 -2.41 3.14 3.41 -1.26 -4.83 113.62 113.50 2d8y n SER 76 Ca 0.05 -1.29 -0.12 0.00 -0.26 0.00 0.00 58.87 57.25 2d8y n SER 76 Cb 0.49 1.48 -0.05 0.00 -0.26 0.00 0.00 64.21 65.88 2d8y n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2d8y n LYS 77 N -0.61 0.31 -1.50 4.33 4.01 -1.26 -5.08 118.16 118.35 2d8y n LYS 77 Ca 0.02 -2.00 -0.63 0.00 -0.51 0.00 0.00 58.31 55.18 2d8y n LYS 77 Cb 0.41 1.57 -0.11 0.00 -0.51 0.00 0.00 35.03 36.39 2d8y n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2d8y n GLY 78 N -0.27 0.06 3.16 0.72 0.00 -1.26 -4.87 105.19 102.72 2d8y n GLY 78 Ca 0.04 1.06 0.05 0.00 0.00 0.00 0.00 46.02 47.17 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 4.55 -0.34 0.09 1.61 2.47 -1.26 -5.18 114.94 116.89 2d8y s ASN 79 Ca 1.12 0.24 -0.18 0.00 0.42 0.00 0.00 52.86 54.46 2d8y s ASN 79 Cb -1.47 1.30 0.04 0.00 -1.45 0.00 0.00 41.25 39.67 2d8y s ASN 79 CO 0.73 -0.06 0.44 -0.31 -3.72 0.00 0.00 177.10 174.17 2d8y s TYR 80 N 2.89 -0.28 0.44 0.43 1.51 -1.26 -5.18 117.35 115.90 2d8y s TYR 80 Ca -0.03 0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.19 2d8y s TYR 80 Cb -0.09 0.28 -0.03 0.00 -0.11 0.00 0.00 41.96 42.01 2d8y s TYR 80 CO -0.10 -0.67 0.24 -0.51 -1.11 0.00 0.00 175.55 173.40 2d8y s ASP 81 N -2.46 4.56 -0.51 2.29 1.11 -1.26 -5.03 116.67 115.37 2d8y s ASP 81 Ca -0.01 -1.07 -0.02 0.00 0.18 0.00 0.00 52.55 51.63 2d8y s ASP 81 Cb 0.01 -0.31 0.30 0.00 1.07 0.00 0.00 42.92 43.98 2d8y s ASP 81 CO -0.08 -0.67 2.12 -0.62 1.18 0.00 0.00 175.17 177.10 2d8y n GLU 82 N -1.38 2.29 -0.05 8.23 4.71 -1.26 -4.54 120.64 128.64 2d8y n GLU 82 Ca -0.01 -2.47 -0.02 0.00 -0.01 0.00 0.00 57.16 54.65 2d8y n GLU 82 Cb 0.64 -1.99 -0.01 0.00 -1.01 0.00 0.00 31.44 29.08 2d8y n GLU 82 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2d8y h GLY 83 N 2.54 0.00 -4.16 0.62 0.00 -2.07 -3.47 103.07 96.53 2d8y h GLY 83 Ca 0.45 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.16 2d8y h GLY 83 CO 1.15 0.00 -0.92 0.69 0.00 0.00 0.00 176.54 177.46 2d8y n PHE 84 N -3.99 -2.06 0.00 5.60 3.72 -1.26 -4.97 117.46 114.49 2d8y n PHE 84 Ca -0.03 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 2d8y n PHE 84 Cb 0.12 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 36.87 2d8y n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d8y n GLY 85 N 2.30 1.93 3.14 1.37 0.00 -1.26 -5.17 105.19 107.50 2d8y n GLY 85 Ca 0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2d8y n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8y s SER 86 N 0.00 1.21 -0.01 1.61 0.15 -1.26 -5.16 113.70 110.24 2d8y s SER 86 Ca 0.00 -0.77 -0.24 0.00 0.70 0.00 0.00 55.95 55.64 2d8y s SER 86 Cb 0.00 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2d8y s SER 86 CO 0.00 -0.28 0.54 -0.83 1.20 0.00 0.00 173.24 173.87 2d8y s GLY 87 N -2.28 -0.43 0.92 9.45 0.00 -1.26 -5.17 107.32 108.55 2d8y s GLY 87 Ca 0.02 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 2d8y s GLY 87 CO -0.01 0.56 1.09 2.56 0.00 0.00 0.00 173.10 177.30 2d8y s PRO 88 N -1.60 1.05 -0.28 2.90 0.04 -1.26 -5.08 135.00 130.77 2d8y s PRO 88 Ca -0.10 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.51 2d8y s PRO 88 Cb -0.01 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.84 2d8y s PRO 88 CO 0.05 -2.37 0.82 -1.54 0.04 0.00 0.00 177.00 174.01 2d8y s SER 89 N -3.44 -0.74 0.18 6.66 1.04 -1.26 -5.14 113.70 111.01 2d8y s SER 89 Ca 0.64 1.21 -0.33 0.00 0.48 0.00 0.00 55.95 57.95 2d8y s SER 89 Cb -0.18 1.29 -0.14 0.00 0.10 0.00 0.00 66.02 67.09 2d8y s SER 89 CO 0.57 -0.19 1.51 -1.54 0.98 0.00 0.00 173.24 174.56 2d8y n SER 90 N 3.81 2.90 0.00 7.02 3.41 -1.26 -5.38 113.62 124.13 2d8y n SER 90 Ca -0.18 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 2d8y n SER 90 Cb 0.58 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 2d8y n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49