#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 -0.67 -0.91 1.61 0.15 -1.26 -5.10 113.70 107.52 2d8y s SER 2 Ca 0.00 1.13 -0.05 0.00 0.70 0.00 0.00 55.95 57.73 2d8y s SER 2 Cb 0.00 1.24 0.23 0.00 -1.71 0.00 0.00 66.02 65.78 2d8y s SER 2 CO 0.00 -0.18 0.82 -0.44 1.20 0.00 0.00 173.24 174.63 2d8y s SER 3 N 1.14 6.30 0.00 5.45 0.01 -1.26 -4.73 113.70 120.60 2d8y s SER 3 Ca -0.06 -3.49 0.00 0.00 1.31 0.00 0.00 55.95 53.71 2d8y s SER 3 Cb -0.04 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2d8y s SER 3 CO -0.13 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2d8y n GLY 4 N 2.71 -1.08 3.06 3.44 0.00 -1.26 -5.10 105.19 106.97 2d8y n GLY 4 Ca 0.20 0.54 -0.35 0.00 0.00 0.00 0.00 46.02 46.40 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 5.01 0.25 1.61 0.01 -1.26 -5.04 113.70 114.28 2d8y s SER 5 Ca 0.00 -2.86 -0.21 0.00 1.31 0.00 0.00 55.95 54.19 2d8y s SER 5 Cb 0.00 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2d8y s SER 5 CO 0.00 -0.34 0.69 -0.44 0.41 0.00 0.00 173.24 173.56 2d8y s SER 6 N 0.49 -0.33 0.00 2.44 0.01 -1.26 -5.04 113.70 110.02 2d8y s SER 6 Ca 0.17 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2d8y s SER 6 Cb -0.22 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2d8y s SER 6 CO -0.03 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 172.97 2d8y n GLY 7 N -0.44 1.00 0.19 3.44 0.00 -1.26 -5.06 105.19 103.05 2d8y n GLY 7 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.36 -3.45 1.61 3.85 -1.26 -4.82 117.12 113.41 2d8y n MET 8 Ca 0.00 0.10 -0.42 0.00 -1.00 0.00 0.00 57.70 56.38 2d8y n MET 8 Cb 0.00 -1.24 -0.03 0.00 -1.05 0.00 0.00 33.22 30.90 2d8y n MET 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2d8y s LYS 9 N -2.30 3.68 0.07 3.17 -0.14 -1.26 -4.88 119.74 118.09 2d8y s LYS 9 Ca -0.21 -3.01 -0.19 0.00 -1.36 0.00 0.00 55.97 51.20 2d8y s LYS 9 Cb 0.06 -4.30 -0.10 0.00 -1.68 0.00 0.00 37.83 31.82 2d8y s LYS 9 CO 0.33 -1.25 1.49 0.35 -0.76 0.00 0.00 175.35 175.50 2d8y h PHE 10 N 6.76 0.43 -1.97 3.18 3.57 -2.02 -3.42 116.94 123.47 2d8y h PHE 10 Ca 0.14 -0.08 -0.60 0.00 3.53 0.00 0.00 57.97 60.96 2d8y h PHE 10 Cb 0.90 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.54 2d8y h PHE 10 CO 0.80 0.60 1.25 1.04 -2.23 0.00 0.00 178.31 179.78 2d8y n GLN 11 N -4.65 2.15 0.46 1.11 6.02 -1.26 -4.89 117.38 116.33 2d8y n GLN 11 Ca -0.04 0.74 -0.20 0.00 -0.01 0.00 0.00 57.00 57.49 2d8y n GLN 11 Cb 0.25 -2.82 -0.10 0.00 1.02 0.00 0.00 30.24 28.59 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d8y h ALA 12 N 11.10 -1.30 -2.15 -1.58 0.00 -2.04 -3.41 119.26 119.88 2d8y h ALA 12 Ca -0.45 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 53.64 2d8y h ALA 12 Cb 1.26 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2d8y h ALA 12 CO 0.96 -1.24 1.07 -1.25 0.00 0.00 0.00 179.25 178.78 2d8y s PRO 13 N -5.95 4.03 -0.03 0.00 0.04 -1.26 -4.90 135.00 126.93 2d8y s PRO 13 Ca -0.19 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 2d8y s PRO 13 Cb 0.03 -3.96 -0.15 0.00 0.04 0.00 0.00 34.50 30.45 2d8y s PRO 13 CO 0.60 -1.00 0.85 0.00 0.04 0.00 0.00 177.00 177.48 2d8y n ALA 14 N 7.56 -2.75 -2.69 8.56 0.00 -1.26 -4.89 120.51 125.04 2d8y n ALA 14 Ca 0.17 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 2d8y n ALA 14 Cb 0.44 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 0.19 4.13 0.35 0.00 3.52 -1.26 -5.08 118.95 120.79 2d8y s ARG 15 Ca 0.70 0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 56.39 2d8y s ARG 15 Cb -0.98 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 2d8y s ARG 15 CO 0.45 0.36 0.69 -1.21 -0.81 0.00 0.00 175.30 174.78 2d8y s GLU 16 N 0.06 3.78 0.05 5.12 2.02 -1.26 -5.04 118.70 123.43 2d8y s GLU 16 Ca 0.19 0.38 -0.06 0.00 0.02 0.00 0.00 54.97 55.50 2d8y s GLU 16 Cb -0.14 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 2d8y s GLU 16 CO 0.07 0.09 0.10 0.99 0.02 0.00 0.00 175.26 176.52 2d8y s THR 17 N -2.18 0.14 -0.11 3.63 2.01 -1.26 -2.22 115.64 115.65 2d8y s THR 17 Ca 0.50 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2d8y s THR 17 Cb -0.10 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2d8y s THR 17 CO 0.28 -0.64 0.98 0.00 -0.69 0.00 0.00 174.62 174.54 2d8y n VAL 19 N 4.54 0.00 -0.01 0.00 0.24 -1.10 -0.00 118.33 122.00 2d8y n VAL 19 Ca 0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.33 2d8y n VAL 19 Cb 0.49 -0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.32 0.12 0.00 7.34 1.02 -1.26 -4.80 120.64 122.73 2d8y n GLU 20 Ca 0.00 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 2d8y n GLU 20 Cb 0.08 -0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.72 -5.90 -5.01 0.00 3.00 0.99 -4.98 117.38 104.76 2d8y n GLN 22 Ca 0.05 0.73 -0.29 0.00 -0.01 0.00 0.00 57.00 57.47 2d8y n GLN 22 Cb 0.27 -5.39 -0.17 0.00 0.00 0.00 0.00 30.24 24.95 2d8y n GLN 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2d8y s LYS 23 N -5.34 2.46 -0.70 -1.09 1.02 -1.24 -4.77 119.74 110.08 2d8y s LYS 23 Ca 0.09 -0.72 -0.36 0.00 0.02 0.00 0.00 55.97 55.00 2d8y s LYS 23 Cb -0.04 -1.94 -0.19 0.00 -0.52 0.00 0.00 37.83 35.14 2d8y s LYS 23 CO 0.63 0.17 2.41 2.41 -0.92 0.00 0.00 175.35 180.05 2d8y n THR 24 N 3.47 0.02 -2.39 2.17 -1.04 -1.26 -1.18 114.28 114.06 2d8y n THR 24 Ca -0.20 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2d8y n THR 24 Cb 0.53 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 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 7.89 4.10 0.65 12.58 1.01 -0.94 -4.88 120.40 140.81 2d8y s VAL 25 Ca 1.24 1.44 -0.10 0.00 0.00 0.00 0.00 61.98 64.57 2d8y s VAL 25 Cb -1.23 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 31.22 2d8y s VAL 25 CO 0.54 -0.00 1.02 -0.31 0.00 0.00 0.00 175.10 176.34 2d8y s TYR 26 N 2.28 3.39 -1.73 5.22 1.51 -1.26 -4.64 117.35 122.12 2d8y s TYR 26 Ca 0.58 0.99 0.15 0.00 -1.01 0.00 0.00 57.07 57.78 2d8y s TYR 26 Cb -0.26 -2.87 0.85 0.00 -0.11 0.00 0.00 41.96 39.56 2d8y s TYR 26 CO 0.23 -0.93 1.37 -0.35 -1.11 0.00 0.00 175.55 174.76 2d8y n PRO 27 N -2.80 0.36 -0.10 -1.71 -0.04 -1.26 -1.78 135.00 127.67 2d8y n PRO 27 Ca 0.06 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2d8y n PRO 27 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.13 0.68 -0.75 0.54 2.81 -1.26 -4.44 117.12 113.57 2d8y n MET 28 Ca 0.10 0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.99 2d8y n MET 28 Cb 0.08 -1.52 0.20 0.00 -0.71 0.00 0.00 33.22 31.27 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 -2.81 1.76 -3.04 0.03 0.28 -1.01 -4.97 120.64 110.88 2d8y n GLU 29 Ca -0.34 -3.26 -0.43 0.00 -0.16 0.00 0.00 57.16 52.96 2d8y n GLU 29 Cb 1.14 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 32.21 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 -3.26 3.19 -0.31 3.44 3.52 -0.73 -3.87 118.95 120.93 2d8y s ARG 30 Ca 0.42 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 2d8y s ARG 30 Cb 0.39 -4.09 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2d8y s ARG 30 CO -0.03 -1.33 0.04 -1.17 -0.81 0.00 0.00 175.30 172.00 2d8y s LEU 31 N 3.12 3.93 -0.04 -0.88 0.20 0.13 -4.96 118.68 120.19 2d8y s LEU 31 Ca 0.21 -1.07 -0.30 0.00 0.69 0.00 0.00 54.13 53.66 2d8y s LEU 31 Cb -0.17 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 2d8y s LEU 31 CO 0.14 -0.25 1.32 -0.22 -0.29 0.00 0.00 176.35 177.05 2d8y s LEU 32 N 1.36 4.29 -0.19 -0.68 1.98 -1.26 -0.52 118.68 123.65 2d8y s LEU 32 Ca -0.02 1.95 -0.04 0.00 -2.89 0.00 0.00 54.13 53.13 2d8y s LEU 32 Cb -0.19 -3.56 0.08 0.00 0.66 0.00 0.00 46.19 43.19 2d8y s LEU 32 CO 0.00 -0.68 0.19 0.00 -1.89 0.00 0.00 176.35 173.97 2d8y s ALA 33 N 2.53 -0.11 -1.16 5.97 0.00 -0.19 -4.88 121.76 123.94 2d8y s ALA 33 Ca 0.60 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 2d8y s ALA 33 Cb -0.28 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2d8y s ALA 33 CO 0.23 -1.19 1.01 0.09 0.00 0.00 0.00 175.76 175.90 2d8y n ASN 34 N 5.31 -5.49 -3.23 0.00 4.13 -1.26 -2.51 115.26 112.20 2d8y n ASN 34 Ca -0.06 -0.47 -0.20 0.00 1.68 0.00 0.00 54.58 55.53 2d8y n ASN 34 Cb 0.49 -4.40 0.07 0.00 -1.54 0.00 0.00 39.78 34.40 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 -4.33 -6.86 -3.72 3.52 6.02 -1.26 -5.01 117.38 105.74 2d8y n GLN 35 Ca -0.01 0.74 -0.14 0.00 -0.01 0.00 0.00 57.00 57.58 2d8y n GLN 35 Cb 0.56 -5.51 -0.09 0.00 1.02 0.00 0.00 30.24 26.22 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 -5.98 0.62 -0.24 -1.09 -0.21 -1.05 -5.13 119.66 106.58 2d8y s GLN 36 Ca 0.42 0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.73 2d8y s GLN 36 Cb -0.18 0.29 -0.00 0.00 1.00 0.00 0.00 33.01 34.11 2d8y s GLN 36 CO 0.65 -0.14 1.21 0.08 -2.12 0.00 0.00 175.29 174.97 2d8y s VAL 37 N -0.57 4.33 0.11 1.09 1.01 -1.26 -1.02 120.40 124.09 2d8y s VAL 37 Ca -0.07 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.56 2d8y s VAL 37 Cb -0.04 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2d8y s VAL 37 CO 0.03 -0.31 -0.19 -0.36 0.00 0.00 0.00 175.10 174.27 2d8y s PHE 38 N 3.77 1.72 -0.19 5.22 0.08 0.32 -2.70 117.98 126.19 2d8y s PHE 38 Ca 0.52 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.90 2d8y s PHE 38 Cb -0.18 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.33 2d8y s PHE 38 CO 0.16 0.22 0.73 -1.01 -0.10 0.00 0.00 175.22 175.22 2d8y s HIS 39 N -1.42 3.38 0.57 0.36 3.76 -1.26 -0.69 115.29 119.98 2d8y s HIS 39 Ca 0.08 1.07 0.26 0.00 -0.15 0.00 0.00 55.06 56.32 2d8y s HIS 39 Cb -0.09 -2.91 0.89 0.00 1.11 0.00 0.00 32.58 31.58 2d8y s HIS 39 CO 0.04 -0.23 1.23 -0.89 -0.85 0.00 0.00 174.74 174.04 2d8y n ILE 40 N 4.80 0.00 -0.10 0.60 -0.00 -1.25 -0.06 119.36 123.35 2d8y n ILE 40 Ca 0.02 1.19 -0.17 0.00 -0.00 0.00 0.00 62.75 63.79 2d8y n ILE 40 Cb 0.49 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.64 37.93 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 -3.15 1.87 -0.35 4.38 2.88 -1.26 -4.37 113.62 113.63 2d8y n SER 41 Ca 0.23 0.46 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 2d8y n SER 41 Cb 1.47 -0.88 0.33 0.00 -0.75 0.00 0.00 64.21 64.37 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 -4.79 0.28 -4.20 0.00 7.35 0.42 -4.79 117.46 111.73 2d8y n PHE 43 Ca 0.24 0.03 -0.14 0.00 -0.76 0.00 0.00 57.45 56.81 2d8y n PHE 43 Cb 0.59 -1.06 -0.09 0.00 0.35 0.00 0.00 39.48 39.27 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 7.52 1.46 0.13 -4.13 0.52 -1.26 -0.18 118.95 123.01 2d8y s ARG 44 Ca 1.25 -1.73 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 2d8y s ARG 44 Cb -0.74 0.32 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 2d8y s ARG 44 CO 0.47 -0.52 0.78 0.00 0.02 0.00 0.00 175.30 176.05 2d8y n SER 46 N 1.95 2.61 0.05 0.00 3.41 0.43 -1.33 113.62 120.75 2d8y n SER 46 Ca -0.05 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 2d8y n SER 46 Cb 0.49 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.31 -0.72 -0.08 7.33 4.19 -1.26 -4.93 117.16 122.01 2d8y n TYR 47 Ca 0.03 0.13 -0.08 0.00 3.31 0.00 0.00 57.90 61.29 2d8y n TYR 47 Cb 0.50 0.40 -0.13 0.00 0.49 0.00 0.00 39.34 40.60 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 -2.61 -2.49 -4.22 0.00 5.15 -0.44 -4.97 115.26 105.68 2d8y n ASN 49 Ca -0.27 -0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 53.20 2d8y n ASN 49 Cb 1.04 -1.67 -0.15 0.00 -0.53 0.00 0.00 39.78 38.47 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 -3.24 3.97 -0.14 1.20 0.01 -1.26 -4.78 114.94 110.70 2d8y s ASN 50 Ca 0.05 -0.62 -0.36 0.00 -0.71 0.00 0.00 52.86 51.22 2d8y s ASN 50 Cb -0.01 -1.64 -0.17 0.00 0.41 0.00 0.00 41.25 39.84 2d8y s ASN 50 CO 0.18 -0.05 1.05 1.17 -1.51 0.00 0.00 177.10 177.94 2d8y n LYS 51 N 4.70 0.00 -2.92 -0.60 0.00 -1.26 -3.73 118.16 114.35 2d8y n LYS 51 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 57.99 2d8y n LYS 51 Cb 0.49 -1.27 -0.01 0.00 0.00 0.00 0.00 35.03 34.24 2d8y n LYS 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2d8y n LEU 52 N 1.95 0.00 -4.18 3.14 4.77 0.74 -4.96 117.00 118.47 2d8y n LEU 52 Ca 0.20 -1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 54.57 2d8y n LEU 52 Cb 0.03 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2d8y n LEU 52 CO 0.59 -0.33 -0.07 -0.44 -1.33 0.00 0.00 177.39 175.81 2d8y s SER 53 N -2.48 0.73 0.00 -1.43 0.01 -1.26 -4.90 113.70 104.37 2d8y s SER 53 Ca 0.09 -1.46 -0.04 0.00 1.31 0.00 0.00 55.95 55.84 2d8y s SER 53 Cb -0.01 0.52 -0.18 0.00 0.21 0.00 0.00 66.02 66.56 2d8y s SER 53 CO 0.05 -1.04 2.73 0.18 0.41 0.00 0.00 173.24 175.58 2d8y n LEU 54 N -0.45 4.08 0.00 2.44 4.77 -1.26 -2.89 117.00 123.69 2d8y n LEU 54 Ca 0.03 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 2d8y n LEU 54 Cb 0.63 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2d8y n LEU 54 CO 0.31 1.15 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 2d8y n GLY 55 N 2.47 0.01 0.88 -0.72 0.00 -1.26 -4.94 105.19 101.63 2d8y n GLY 55 Ca 0.29 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.33 1.25 -2.81 2.61 -2.24 -1.15 -5.00 114.28 106.61 2d8y n THR 56 Ca 0.00 -1.13 -0.20 0.00 -2.27 0.00 0.00 64.05 60.45 2d8y n THR 56 Cb 0.00 0.37 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.32 2.47 -0.30 4.78 -0.85 -1.14 -3.48 117.35 117.50 2d8y s TYR 57 Ca 0.33 -0.28 -0.12 0.00 -0.52 0.00 0.00 57.07 56.47 2d8y s TYR 57 Cb 0.19 -2.58 0.18 0.00 0.38 0.00 0.00 41.96 40.13 2d8y s TYR 57 CO 0.19 -0.87 1.02 0.00 -1.52 0.00 0.00 175.55 174.36 2d8y s ALA 58 N -2.66 -3.36 0.07 9.51 0.00 -0.17 -4.85 121.76 120.30 2d8y s ALA 58 Ca 0.58 1.46 0.03 0.00 0.00 0.00 0.00 51.96 54.03 2d8y s ALA 58 Cb -0.09 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2d8y s ALA 58 CO 0.37 -1.45 0.07 0.45 0.00 0.00 0.00 175.76 175.21 2d8y s SER 59 N 2.95 5.51 0.00 0.00 0.15 -1.26 -0.54 113.70 120.50 2d8y s SER 59 Ca 0.00 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 2d8y s SER 59 Cb -0.11 -1.48 -0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2d8y s SER 59 CO -0.12 0.18 -0.00 -0.11 1.20 0.00 0.00 173.24 174.39 2d8y n LEU 60 N 0.52 0.07 -2.45 3.45 7.94 -1.15 -4.87 117.00 120.50 2d8y n LEU 60 Ca -0.09 0.01 -0.29 0.00 -1.11 0.00 0.00 56.01 54.53 2d8y n LEU 60 Cb 0.52 -0.14 0.02 0.00 0.53 0.00 0.00 43.42 44.34 2d8y n LEU 60 CO 0.43 -0.51 0.51 1.41 -1.11 0.00 0.00 177.39 178.13 2d8y n HIS 61 N -2.56 3.19 0.00 1.96 8.25 -1.26 -4.87 115.22 119.93 2d8y n HIS 61 Ca -0.00 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 2d8y n HIS 61 Cb 0.01 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 -0.57 2.91 3.74 -1.41 0.00 -1.26 -5.03 105.19 103.57 2d8y n GLY 62 Ca 0.44 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 4.61 0.40 1.61 0.52 -1.26 -5.02 118.95 119.80 2d8y s ARG 63 Ca 0.00 1.27 -0.19 0.00 -0.52 0.00 0.00 55.73 56.29 2d8y s ARG 63 Cb 0.00 -3.36 -0.10 0.00 0.52 0.00 0.00 34.95 32.01 2d8y s ARG 63 CO 0.00 0.27 0.88 0.42 0.02 0.00 0.00 175.30 176.90 2d8y s ILE 64 N -0.12 4.49 -0.01 1.52 -1.09 -1.26 -2.94 121.20 121.79 2d8y s ILE 64 Ca 0.42 1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 60.01 2d8y s ILE 64 Cb -0.22 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 2d8y s ILE 64 CO 0.27 -0.30 0.26 -0.31 -1.23 0.00 0.00 174.94 173.63 2d8y s TYR 65 N -2.15 -0.12 0.76 3.97 2.02 0.29 -0.42 117.35 121.71 2d8y s TYR 65 Ca 0.59 0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 57.32 2d8y s TYR 65 Cb -0.09 0.06 0.06 0.00 -0.40 0.00 0.00 41.96 41.58 2d8y s TYR 65 CO 0.16 -0.37 1.13 0.00 -1.57 0.00 0.00 175.55 174.90 2d8y h LYS 67 N -0.87 -0.59 -0.21 0.00 6.56 -1.89 0.40 116.57 119.97 2d8y h LYS 67 Ca -0.46 0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.21 2d8y h LYS 67 Cb 1.30 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 33.03 2d8y h LYS 67 CO 0.65 -0.39 -0.53 -1.35 -2.06 0.00 0.00 179.45 175.77 2d8y h PRO 68 N -0.61 -0.50 -0.01 3.15 0.11 -1.94 0.37 132.00 132.57 2d8y h PRO 68 Ca -0.03 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2d8y h PRO 68 Cb 0.53 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 2d8y h PRO 68 CO 0.01 -0.33 0.00 0.45 -0.21 0.00 0.00 178.00 177.92 2d8y h HIS 69 N -0.52 0.01 -0.47 0.65 3.86 -1.95 -2.98 115.15 113.76 2d8y h HIS 69 Ca 0.05 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.36 2d8y h HIS 69 Cb 0.65 -0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.03 2d8y h HIS 69 CO -0.61 0.23 -0.16 0.35 0.86 0.00 0.00 177.93 178.60 2d8y h PHE 70 N -0.21 -0.37 0.00 2.45 3.04 0.15 0.95 116.94 122.95 2d8y h PHE 70 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2d8y h PHE 70 Cb 0.22 0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.97 2d8y h PHE 70 CO -0.00 -0.25 0.00 0.09 -2.02 0.00 0.00 178.31 176.13 2d8y n ASN 71 N -5.37 0.00 -0.07 0.41 3.02 0.13 -0.21 115.26 113.17 2d8y n ASN 71 Ca 0.04 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.52 2d8y n ASN 71 Cb 0.28 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 2d8y n ASN 71 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2d8y n GLN 72 N -1.20 0.38 0.21 3.52 -0.06 0.28 -3.60 117.38 116.90 2d8y n GLN 72 Ca 0.04 0.16 0.07 0.00 -2.00 0.00 0.00 57.00 55.27 2d8y n GLN 72 Cb 0.05 -1.15 0.43 0.00 -4.06 0.00 0.00 30.24 25.52 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 -0.68 0.00 0.00 1.69 3.38 0.01 -2.21 115.31 117.50 2d8y h LEU 73 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2d8y h LEU 73 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2d8y h LEU 73 CO -0.12 0.31 -0.43 0.49 0.09 0.00 0.00 178.44 178.78 2d8y n PHE 74 N -3.67 0.63 -0.31 1.13 3.01 0.71 -4.28 117.46 114.67 2d8y n PHE 74 Ca -0.01 0.27 0.34 0.00 1.01 0.00 0.00 57.45 59.07 2d8y n PHE 74 Cb 0.42 -0.62 0.74 0.00 -0.01 0.00 0.00 39.48 40.01 2d8y n PHE 74 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2d8y h LYS 75 N -0.76 0.02 -3.94 -1.08 3.64 -1.61 -3.42 116.57 109.41 2d8y h LYS 75 Ca 0.00 -0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 2d8y h LYS 75 Cb 0.43 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2d8y h LYS 75 CO 0.00 0.02 0.99 0.45 -2.27 0.00 0.00 179.45 178.64 2d8y n SER 76 N -4.21 0.43 -3.27 4.20 2.88 -0.83 -4.64 113.62 108.17 2d8y n SER 76 Ca 0.25 0.37 -0.38 0.00 -1.33 0.00 0.00 58.87 57.78 2d8y n SER 76 Cb 1.21 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 2d8y n SER 76 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2d8y n LYS 77 N 5.35 0.00 0.00 -1.46 4.76 -1.26 -4.62 118.16 120.93 2d8y n LYS 77 Ca 0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2d8y n LYS 77 Cb -0.01 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 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 1.36 -1.98 3.17 0.72 0.00 -1.26 -5.12 105.19 102.07 2d8y n GLY 78 Ca 0.14 0.66 0.05 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.33 -0.36 0.10 1.61 3.84 -1.26 -5.18 114.94 111.36 2d8y s ASN 79 Ca 0.00 0.25 -0.26 0.00 0.21 0.00 0.00 52.86 53.06 2d8y s ASN 79 Cb 0.00 1.31 0.08 0.00 -0.55 0.00 0.00 41.25 42.09 2d8y s ASN 79 CO 0.00 -0.07 0.95 -0.31 -2.79 0.00 0.00 177.10 174.89 2d8y s TYR 80 N 2.87 -0.18 -0.08 0.43 2.02 -1.26 -5.16 117.35 115.98 2d8y s TYR 80 Ca -0.03 -0.07 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 2d8y s TYR 80 Cb -0.09 0.61 -0.00 0.00 -0.40 0.00 0.00 41.96 42.07 2d8y s TYR 80 CO -0.11 -0.73 -0.24 -0.51 -1.57 0.00 0.00 175.55 172.39 2d8y s ASP 81 N -2.82 3.05 -0.25 2.29 1.01 -1.26 -5.02 116.67 113.68 2d8y s ASP 81 Ca 0.10 -0.54 0.16 0.00 0.71 0.00 0.00 52.55 52.98 2d8y s ASP 81 Cb -0.01 -1.20 0.48 0.00 1.01 0.00 0.00 42.92 43.20 2d8y s ASP 81 CO -0.01 0.19 1.15 -0.62 0.21 0.00 0.00 175.17 176.09 2d8y n GLU 82 N 3.33 2.40 0.00 8.23 4.71 -1.26 -5.01 120.64 133.04 2d8y n GLU 82 Ca -0.19 -3.68 0.00 0.00 -0.01 0.00 0.00 57.16 53.29 2d8y n GLU 82 Cb 0.53 -1.79 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2d8y n GLY 83 N -0.61 1.20 3.53 0.62 0.00 -1.26 -4.87 105.19 103.81 2d8y n GLY 83 Ca 0.23 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2d8y n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8y s PHE 84 N 0.00 0.44 0.06 1.61 0.08 -1.26 -5.05 117.98 113.86 2d8y s PHE 84 Ca 0.00 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.63 2d8y s PHE 84 Cb 0.00 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 2d8y s PHE 84 CO 0.00 -4.03 0.00 0.41 -0.10 0.00 0.00 175.22 171.50 2d8y n GLY 85 N -0.40 0.01 3.43 4.36 0.00 -1.26 -5.05 105.19 106.28 2d8y n GLY 85 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.61 3.44 -0.19 1.61 0.15 -1.26 -5.10 113.70 106.73 2d8y s SER 86 Ca 0.00 -0.90 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 2d8y s SER 86 Cb 0.00 -0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.14 2d8y s SER 86 CO 0.00 0.10 0.40 -0.83 1.20 0.00 0.00 173.24 174.11 2d8y s GLY 87 N -2.85 -0.34 0.78 9.45 0.00 -1.26 -5.17 107.32 107.93 2d8y s GLY 87 Ca 0.23 1.45 -0.13 0.00 0.00 0.00 0.00 44.72 46.27 2d8y s GLY 87 CO 0.11 2.35 0.69 -1.55 0.00 0.00 0.00 173.10 174.70 2d8y n PRO 88 N 5.36 -2.37 -3.48 2.90 -0.04 -1.26 -5.10 135.00 131.01 2d8y n PRO 88 Ca -0.09 -1.11 -0.14 0.00 -0.04 0.00 0.00 63.50 62.12 2d8y n PRO 88 Cb 0.50 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 2d8y n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8y s SER 89 N -3.37 -0.57 -0.29 3.54 0.15 -1.26 -5.17 113.70 106.72 2d8y s SER 89 Ca 0.45 0.34 -0.16 0.00 0.70 0.00 0.00 55.95 57.29 2d8y s SER 89 Cb -0.04 0.53 0.12 0.00 -1.71 0.00 0.00 66.02 64.92 2d8y s SER 89 CO 0.34 -0.73 0.87 -0.44 1.20 0.00 0.00 173.24 174.48 2d8y s SER 90 N -1.92 -0.69 0.00 5.45 0.01 -1.26 -5.39 113.70 109.90 2d8y s SER 90 Ca -0.04 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2d8y s SER 90 Cb -0.01 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.58 2d8y s SER 90 CO -0.02 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.08