#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b n THR 2 N 0.00 5.01 -0.66 0.00 -2.24 -1.26 -3.93 114.28 111.20 1d2b n THR 2 Ca 0.00 -5.78 -0.10 0.00 -2.27 0.00 0.00 64.05 55.90 1d2b n THR 2 Cb 0.00 -1.49 0.08 0.00 -2.10 0.00 0.00 70.33 66.83 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s VAL 4 N -1.65 5.03 -0.50 0.00 -7.23 -1.26 -4.95 120.40 109.85 1d2b s VAL 4 Ca 0.24 -1.08 -0.44 0.00 -1.81 0.00 0.00 61.98 58.89 1d2b s VAL 4 Cb -0.02 -3.74 -0.19 0.00 0.56 0.00 0.00 36.38 32.99 1d2b s VAL 4 CO 0.18 -0.33 2.15 -2.65 -0.31 0.00 0.00 175.10 174.14 1d2b n PRO 5 N -1.37 0.05 -3.04 4.82 -0.02 -1.26 -4.89 135.00 129.29 1d2b n PRO 5 Ca -0.08 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.01 1d2b n PRO 5 Cb 0.57 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 1d2b n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1d2b s PRO 6 N 6.04 4.47 -0.15 0.52 0.05 -1.26 -4.93 135.00 139.73 1d2b s PRO 6 Ca 1.20 1.03 -0.19 0.00 0.05 0.00 0.00 61.00 63.09 1d2b s PRO 6 Cb -1.47 -3.31 -0.08 0.00 0.05 0.00 0.00 34.50 29.68 1d2b s PRO 6 CO 0.65 0.43 0.61 0.72 0.05 0.00 0.00 177.00 179.46 1d2b n HIS 7 N 2.26 0.61 0.23 0.56 8.25 -1.26 -4.50 115.22 121.38 1d2b n HIS 7 Ca -0.05 0.47 0.07 0.00 -0.26 0.00 0.00 57.72 57.95 1d2b n HIS 7 Cb 0.50 -0.92 0.54 0.00 1.12 0.00 0.00 29.99 31.24 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 1.87 0.00 0.20 -0.41 0.13 -1.92 0.77 132.00 132.64 1d2b h PRO 8 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1d2b h PRO 8 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1d2b h PRO 8 CO 0.37 0.20 -0.34 0.37 -0.23 0.00 0.00 178.00 178.37 1d2b h GLN 9 N 0.00 -0.55 0.09 0.86 4.15 -1.84 3.51 115.11 121.33 1d2b h GLN 9 Ca -0.00 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1d2b h GLN 9 Cb 0.39 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1d2b h GLN 9 CO 0.03 -0.37 -0.35 1.15 -1.93 0.00 0.00 178.83 177.36 1d2b h THR 10 N -0.57 0.27 0.06 2.39 2.02 -1.64 0.41 112.91 115.85 1d2b h THR 10 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1d2b h THR 10 Cb 0.53 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1d2b h THR 10 CO -0.12 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.72 1d2b h ALA 11 N 0.07 -0.10 0.86 6.16 0.00 0.98 0.64 119.26 127.87 1d2b h ALA 11 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1d2b h ALA 11 Cb 0.60 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1d2b h ALA 11 CO -0.22 -0.56 -0.44 0.35 0.00 0.00 0.00 179.25 178.37 1d2b h PHE 12 N -0.12 -1.15 -0.25 0.00 3.57 0.68 -1.50 116.94 118.17 1d2b h PHE 12 Ca 0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1d2b h PHE 12 Cb 0.11 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1d2b h PHE 12 CO -0.09 -0.70 0.00 0.00 -2.23 0.00 0.00 178.31 175.29 1d2b h ASN 14 N 0.22 0.64 -4.05 0.00 -1.24 0.23 -3.43 115.58 107.94 1d2b h ASN 14 Ca 0.07 -0.12 -0.46 0.00 0.71 0.00 0.00 56.30 56.51 1d2b h ASN 14 Cb 0.41 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1d2b h ASN 14 CO 0.01 0.67 0.36 -0.55 -1.29 0.00 0.00 177.43 176.63 1d2b s SER 15 N -6.66 6.70 0.00 1.15 0.15 -0.56 -4.97 113.70 109.51 1d2b s SER 15 Ca -0.09 1.81 0.20 0.00 0.70 0.00 0.00 55.95 58.58 1d2b s SER 15 Cb 0.15 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.42 1d2b s SER 15 CO 0.78 -0.53 1.43 0.47 1.20 0.00 0.00 173.24 176.59 1d2b n ASP 16 N -0.70 3.58 -3.52 5.45 9.92 -1.26 -4.87 116.55 125.15 1d2b n ASP 16 Ca 0.08 -1.98 -0.00 0.00 -0.53 0.00 0.00 54.79 52.36 1d2b n ASP 16 Cb 0.53 -0.36 -0.04 0.00 -0.64 0.00 0.00 41.12 40.61 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1d2b s LEU 17 N -1.14 -0.79 -0.03 0.64 1.02 0.28 -4.27 118.68 114.38 1d2b s LEU 17 Ca 0.41 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.66 1d2b s LEU 17 Cb 0.22 1.93 0.03 0.00 0.02 0.00 0.00 46.19 48.39 1d2b s LEU 17 CO 0.29 -0.16 0.01 -0.69 0.02 0.00 0.00 176.35 175.83 1d2b s VAL 18 N 2.49 0.12 0.00 -1.59 1.01 0.11 0.27 120.40 122.81 1d2b s VAL 18 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1d2b s VAL 18 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1d2b s VAL 18 CO -0.18 0.14 0.00 2.30 0.00 0.00 0.00 175.10 177.36 1d2b n ILE 19 N 4.26 0.00 -4.16 2.22 -5.35 -0.25 0.20 119.36 116.27 1d2b n ILE 19 Ca -0.25 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.02 1d2b n ILE 19 Cb 0.50 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.24 1d2b n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d2b s ARG 20 N -1.43 0.95 0.31 6.28 1.70 0.90 -0.48 118.95 127.17 1d2b s ARG 20 Ca 0.00 -0.13 -0.12 0.00 -0.47 0.00 0.00 55.73 55.01 1d2b s ARG 20 Cb 0.00 -0.96 0.01 0.00 -0.57 0.00 0.00 34.95 33.44 1d2b s ARG 20 CO 0.00 -0.10 0.59 0.00 -1.08 0.00 0.00 175.30 174.71 1d2b s ALA 21 N 1.03 -0.29 0.06 7.88 0.00 -0.49 -0.67 121.76 129.29 1d2b s ALA 21 Ca -0.09 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1d2b s ALA 21 Cb -0.14 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1d2b s ALA 21 CO -0.00 -0.90 -0.21 0.15 0.00 0.00 0.00 175.76 174.79 1d2b s LYS 22 N -3.40 1.88 -0.25 0.00 1.02 -0.79 0.16 119.74 118.36 1d2b s LYS 22 Ca 0.21 -1.09 -0.15 0.00 0.02 0.00 0.00 55.97 54.97 1d2b s LYS 22 Cb -0.02 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1d2b s LYS 22 CO 0.12 0.51 0.35 -0.06 -0.92 0.00 0.00 175.35 175.35 1d2b s PHE 23 N -0.94 3.29 -0.30 3.18 0.40 -1.26 0.45 117.98 122.80 1d2b s PHE 23 Ca 0.14 0.44 0.19 0.00 -0.60 0.00 0.00 56.93 57.10 1d2b s PHE 23 Cb -0.10 -2.52 0.48 0.00 0.51 0.00 0.00 43.02 41.38 1d2b s PHE 23 CO 0.05 -0.13 1.02 1.33 0.70 0.00 0.00 175.22 178.19 1d2b n VAL 24 N 4.79 1.20 -3.64 -0.44 0.24 -0.66 -3.92 118.33 115.89 1d2b n VAL 24 Ca -0.09 -3.13 -0.02 0.00 -2.04 0.00 0.00 64.34 59.06 1d2b n VAL 24 Cb 0.51 0.75 -0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1d2b n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d2b s GLY 25 N -3.39 -0.35 0.13 7.63 0.00 -1.11 -4.65 107.32 105.58 1d2b s GLY 25 Ca 0.29 0.71 -0.10 0.00 0.00 0.00 0.00 44.72 45.62 1d2b s GLY 25 CO 0.00 0.17 0.45 -1.59 0.00 0.00 0.00 173.10 172.14 1d2b s THR 26 N -2.72 5.03 0.05 0.90 2.01 -1.26 -4.01 115.64 115.63 1d2b s THR 26 Ca 0.12 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1d2b s THR 26 Cb 0.02 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1d2b s THR 26 CO -0.03 0.17 1.07 -2.16 -0.69 0.00 0.00 174.62 172.99 1d2b s PRO 27 N -2.20 4.53 -0.45 4.92 0.04 -1.24 -4.30 135.00 136.29 1d2b s PRO 27 Ca 0.38 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1d2b s PRO 27 Cb -0.13 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 31.05 1d2b s PRO 27 CO 0.20 -0.10 0.49 -1.21 0.04 0.00 0.00 177.00 176.42 1d2b s GLU 28 N 0.83 3.10 -0.56 4.56 2.02 0.15 -4.87 118.70 123.94 1d2b s GLU 28 Ca 0.54 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 1d2b s GLU 28 Cb -0.25 -4.02 0.14 0.00 0.10 0.00 0.00 34.13 30.10 1d2b s GLU 28 CO 0.29 -0.98 0.44 0.08 0.02 0.00 0.00 175.26 175.11 1d2b s VAL 29 N 2.24 4.43 0.61 2.63 1.01 -1.26 -2.27 120.40 127.80 1d2b s VAL 29 Ca 0.12 -2.05 -0.16 0.00 0.00 0.00 0.00 61.98 59.90 1d2b s VAL 29 Cb -0.18 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1d2b s VAL 29 CO 0.13 -0.84 1.08 0.21 0.00 0.00 0.00 175.10 175.68 1d2b s ASN 30 N 2.37 5.53 0.00 3.32 2.47 -1.26 -4.91 114.94 122.45 1d2b s ASN 30 Ca 0.09 1.91 0.30 0.00 0.42 0.00 0.00 52.86 55.58 1d2b s ASN 30 Cb -0.23 -2.54 1.37 0.00 -1.45 0.00 0.00 41.25 38.39 1d2b s ASN 30 CO -0.02 -1.34 1.97 0.00 -3.72 0.00 0.00 177.10 173.98 1d2b n GLN 31 N -2.12 0.37 -1.85 0.43 1.13 -1.26 -3.88 117.38 110.21 1d2b n GLN 31 Ca 0.10 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1d2b n GLN 31 Cb 0.52 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.40 1d2b n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1d2b n THR 32 N -1.27 0.31 -0.13 5.09 -1.04 -1.26 -4.86 114.28 111.11 1d2b n THR 32 Ca 0.12 -1.28 -0.28 0.00 -2.04 0.00 0.00 64.05 60.57 1d2b n THR 32 Cb 0.27 0.98 -0.10 0.00 -1.82 0.00 0.00 70.33 69.67 1d2b n THR 32 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1d2b n THR 33 N -0.06 1.53 0.00 12.58 5.66 -1.25 -4.97 114.28 127.76 1d2b n THR 33 Ca -0.02 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1d2b n THR 33 Cb 0.95 -1.92 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 1d2b n THR 33 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1d2b n LEU 34 N -4.28 0.00 -4.25 1.09 4.77 -1.26 -4.89 117.00 108.18 1d2b n LEU 34 Ca -0.51 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.32 1d2b n LEU 34 Cb 0.85 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.85 1d2b n LEU 34 CO 0.05 0.00 -0.22 -0.72 -1.33 0.00 0.00 177.39 175.17 1d2b s TYR 35 N -2.33 1.37 0.32 -1.77 1.13 -1.26 1.05 117.35 115.87 1d2b s TYR 35 Ca 0.00 -1.37 0.06 0.00 -1.41 0.00 0.00 57.07 54.35 1d2b s TYR 35 Cb 0.00 -0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1d2b s TYR 35 CO 0.00 -0.59 0.28 -0.65 -2.51 0.00 0.00 175.55 172.09 1d2b s GLN 36 N -4.00 1.73 0.02 -3.49 -0.21 0.73 -4.14 119.66 110.29 1d2b s GLN 36 Ca 0.38 -1.97 -0.01 0.00 0.02 0.00 0.00 55.36 53.78 1d2b s GLN 36 Cb 0.06 0.33 -0.01 0.00 1.00 0.00 0.00 33.01 34.39 1d2b s GLN 36 CO 0.15 -0.64 0.01 -0.98 -2.12 0.00 0.00 175.29 171.70 1d2b s ARG 37 N -3.46 0.33 0.09 2.91 3.03 -0.96 -1.61 118.95 119.28 1d2b s ARG 37 Ca 0.40 -0.54 0.07 0.00 2.03 0.00 0.00 55.73 57.69 1d2b s ARG 37 Cb 0.02 0.12 -0.03 0.00 -1.03 0.00 0.00 34.95 34.04 1d2b s ARG 37 CO 0.26 -0.06 -0.19 0.71 -1.13 0.00 0.00 175.30 174.89 1d2b s TYR 38 N -1.39 1.59 0.03 5.89 2.02 -0.43 0.34 117.35 125.40 1d2b s TYR 38 Ca -0.15 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1d2b s TYR 38 Cb -0.09 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1d2b s TYR 38 CO -0.00 0.15 0.10 -1.21 -1.57 0.00 0.00 175.55 173.01 1d2b s GLU 39 N -1.85 3.05 0.31 -0.62 2.02 -1.26 -0.91 118.70 119.45 1d2b s GLU 39 Ca 0.03 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1d2b s GLU 39 Cb -0.10 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1d2b s GLU 39 CO 0.04 0.61 0.24 0.96 0.02 0.00 0.00 175.26 177.13 1d2b s ILE 40 N -1.30 0.06 -0.78 -1.63 -4.36 -0.75 -1.65 121.20 110.78 1d2b s ILE 40 Ca 0.27 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1d2b s ILE 40 Cb -0.12 -2.49 0.19 0.00 1.25 0.00 0.00 42.46 41.29 1d2b s ILE 40 CO 0.18 0.00 0.62 -0.75 0.24 0.00 0.00 174.94 175.23 1d2b s LYS 41 N -3.59 2.85 -0.25 0.37 2.47 1.59 -4.54 119.74 118.64 1d2b s LYS 41 Ca 0.39 -3.23 -0.39 0.00 -1.56 0.00 0.00 55.97 51.18 1d2b s LYS 41 Cb 0.03 -3.70 -0.15 0.00 -1.46 0.00 0.00 37.83 32.55 1d2b s LYS 41 CO 0.24 -1.26 1.81 -0.12 0.16 0.00 0.00 175.35 176.18 1d2b n MET 42 N 2.30 1.35 -0.05 4.03 0.00 -1.26 -1.89 117.12 121.60 1d2b n MET 42 Ca 0.19 0.49 -0.03 0.00 -0.00 0.00 0.00 57.70 58.35 1d2b n MET 42 Cb 0.36 -2.23 -0.01 0.00 0.00 0.00 0.00 33.22 31.34 1d2b n MET 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1d2b h THR 43 N 5.43 0.00 -2.63 1.12 2.02 -1.24 -3.47 112.91 114.14 1d2b h THR 43 Ca -0.45 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 1d2b h THR 43 Cb 1.31 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 67.51 1d2b h THR 43 CO 0.97 0.00 -0.12 -0.75 0.37 0.00 0.00 175.52 175.98 1d2b s LYS 44 N -1.78 0.73 -0.06 6.66 2.36 -0.51 -5.01 119.74 122.12 1d2b s LYS 44 Ca -0.08 0.21 -0.19 0.00 -2.55 0.00 0.00 55.97 53.36 1d2b s LYS 44 Cb 0.01 0.34 -0.05 0.00 -1.05 0.00 0.00 37.83 37.08 1d2b s LYS 44 CO 0.12 -0.18 0.53 -1.64 1.55 0.00 0.00 175.35 175.73 1d2b s MET 45 N -0.76 4.29 -0.01 4.03 -1.94 -1.26 -0.07 119.30 123.58 1d2b s MET 45 Ca -0.08 0.58 0.05 0.00 -1.71 0.00 0.00 55.69 54.52 1d2b s MET 45 Cb -0.03 -3.38 0.13 0.00 2.01 0.00 0.00 34.83 33.55 1d2b s MET 45 CO 0.04 0.28 1.10 0.66 -0.01 0.00 0.00 175.02 177.10 1d2b n TYR 46 N 3.16 0.18 0.00 -0.03 4.02 0.37 -4.91 117.16 119.95 1d2b n TYR 46 Ca -0.07 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1d2b n TYR 46 Cb 0.51 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d2b n LYS 47 N -0.20 0.00 0.00 -0.72 0.00 0.55 -4.68 118.16 113.11 1d2b n LYS 47 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1d2b n LYS 47 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d2b n GLY 48 N 0.00 -0.22 0.33 3.14 0.00 -1.26 0.09 105.19 107.27 1d2b n GLY 48 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 1d2b n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1d2b h PHE 49 N 0.00 0.87 0.00 1.61 0.04 -1.94 3.12 116.94 120.64 1d2b h PHE 49 Ca 0.00 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1d2b h PHE 49 Cb 0.00 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1d2b h PHE 49 CO 0.00 -0.27 -0.01 0.37 -0.60 0.00 0.00 178.31 177.80 1d2b h GLN 50 N 0.22 0.00 0.00 1.51 4.15 -1.96 0.52 115.11 119.55 1d2b h GLN 50 Ca 0.76 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.18 1d2b h GLN 50 Cb 1.82 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.51 1d2b h GLN 50 CO -0.66 0.01 -0.55 0.00 -1.93 0.00 0.00 178.83 175.69 1d2b n ALA 51 N -2.19 3.60 -0.75 3.38 0.00 1.03 -4.68 120.51 120.91 1d2b n ALA 51 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1d2b n ALA 51 Cb 0.10 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 1d2b n ALA 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1d2b n LEU 52 N -1.54 1.47 0.00 0.00 -0.00 0.18 -4.67 117.00 112.45 1d2b n LEU 52 Ca 0.05 -1.83 0.00 0.00 -0.00 0.00 0.00 56.01 54.23 1d2b n LEU 52 Cb 0.34 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1d2b n LEU 52 CO 0.36 -2.01 0.34 0.61 -0.00 0.00 0.00 177.39 176.69 1d2b n GLY 53 N 5.10 -3.14 0.00 1.47 0.00 -1.26 -4.57 105.19 102.78 1d2b n GLY 53 Ca 0.47 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1d2b n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2b n ASP 54 N -1.40 0.00 0.00 1.61 9.92 -1.26 -5.02 116.55 120.40 1d2b n ASP 54 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1d2b n ASP 54 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d2b n ALA 55 N -1.12 1.21 -3.85 2.24 0.00 -1.26 -5.01 120.51 112.72 1d2b n ALA 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1d2b n ALA 55 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s ALA 56 N -1.19 3.84 -2.02 0.00 0.00 -1.26 -4.90 121.76 116.23 1d2b s ALA 56 Ca 0.00 -3.76 0.11 0.00 0.00 0.00 0.00 51.96 48.31 1d2b s ALA 56 Cb 0.00 -2.31 0.34 0.00 0.00 0.00 0.00 23.12 21.16 1d2b s ALA 56 CO 0.00 -2.10 1.28 -3.47 0.00 0.00 0.00 175.76 171.47 1d2b n ASP 57 N 2.22 1.82 -3.14 0.00 2.03 -1.26 -4.55 116.55 113.67 1d2b n ASP 57 Ca 0.18 -1.98 -0.17 0.00 0.52 0.00 0.00 54.79 53.35 1d2b n ASP 57 Cb 0.35 -0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.48 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1d2b s ILE 58 N -1.56 -0.27 -0.43 5.18 1.01 -1.26 -4.71 121.20 119.17 1d2b s ILE 58 Ca 0.24 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 59.10 1d2b s ILE 58 Cb 0.12 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.95 1d2b s ILE 58 CO 0.16 -0.68 0.72 0.54 0.00 0.00 0.00 174.94 175.69 1d2b n ARG 59 N 3.02 0.28 -3.76 2.79 1.74 -1.26 -4.65 116.66 114.82 1d2b n ARG 59 Ca 0.23 -0.94 -0.13 0.00 -0.77 0.00 0.00 57.85 56.24 1d2b n ARG 59 Cb 0.51 -1.08 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1d2b s PHE 60 N -0.46 -0.20 -0.17 -1.55 0.40 -1.26 -1.82 117.98 112.92 1d2b s PHE 60 Ca 0.05 0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1d2b s PHE 60 Cb 0.03 0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.65 1d2b s PHE 60 CO 0.05 -0.38 -0.09 0.14 0.70 0.00 0.00 175.22 175.64 1d2b s VAL 61 N -1.23 3.18 -0.34 -0.44 -7.23 -0.08 -3.73 120.40 110.54 1d2b s VAL 61 Ca -0.13 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1d2b s VAL 61 Cb -0.05 -2.39 0.07 0.00 0.56 0.00 0.00 36.38 34.57 1d2b s VAL 61 CO 0.04 0.48 0.08 -0.31 -0.31 0.00 0.00 175.10 175.08 1d2b s TYR 62 N 0.87 3.36 0.15 2.82 1.51 0.22 -1.32 117.35 124.96 1d2b s TYR 62 Ca -0.03 -1.97 0.10 0.00 -1.01 0.00 0.00 57.07 54.17 1d2b s TYR 62 Cb -0.15 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1d2b s TYR 62 CO 0.00 -0.84 -0.24 -0.08 -1.11 0.00 0.00 175.55 173.28 1d2b s THR 63 N 1.24 2.16 0.37 -0.71 -1.32 -0.63 -3.11 115.64 113.64 1d2b s THR 63 Ca -0.01 -1.82 -0.28 0.00 -1.21 0.00 0.00 61.69 58.37 1d2b s THR 63 Cb -0.21 -1.96 -0.11 0.00 -1.51 0.00 0.00 72.50 68.72 1d2b s THR 63 CO -0.01 -0.03 1.50 -2.84 -2.21 0.00 0.00 174.62 171.02 1d2b s PRO 64 N -2.29 4.11 -0.63 7.08 0.02 -1.26 0.26 135.00 142.29 1d2b s PRO 64 Ca 0.15 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.74 1d2b s PRO 64 Cb -0.09 -2.97 0.44 0.00 0.02 0.00 0.00 34.50 31.90 1d2b s PRO 64 CO 0.07 -0.54 1.91 0.00 -0.33 0.00 0.00 177.00 178.11 1d2b n ALA 65 N 0.60 6.18 -1.92 -1.55 0.00 7.46 -3.56 120.51 127.71 1d2b n ALA 65 Ca 0.02 -3.60 -0.28 0.00 0.00 0.00 0.00 53.44 49.58 1d2b n ALA 65 Cb 0.39 -1.59 0.09 0.00 0.00 0.00 0.00 19.45 18.34 1d2b n ALA 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d2b s MET 66 N -3.82 1.90 0.00 0.00 -1.94 -1.08 -4.57 119.30 109.79 1d2b s MET 66 Ca 0.62 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 1d2b s MET 66 Cb 0.49 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 35.30 1d2b s MET 66 CO -0.05 -1.54 0.65 0.39 -0.01 0.00 0.00 175.02 174.46 1d2b n GLU 67 N -3.20 0.00 -0.70 2.03 1.02 -1.26 -3.66 120.64 114.87 1d2b n GLU 67 Ca 0.09 0.45 -0.14 0.00 -0.02 0.00 0.00 57.16 57.55 1d2b n GLU 67 Cb 0.61 -1.30 0.08 0.00 -0.02 0.00 0.00 31.44 30.81 1d2b n GLU 67 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1d2b n SER 68 N -1.86 4.09 -4.04 1.62 2.88 -1.26 -4.92 113.62 110.13 1d2b n SER 68 Ca 0.00 -2.89 -0.24 0.00 -1.33 0.00 0.00 58.87 54.40 1d2b n SER 68 Cb 0.00 -0.76 0.15 0.00 -0.75 0.00 0.00 64.21 62.85 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1d2b n VAL 69 N -0.21 0.00 -0.08 2.46 3.14 -1.24 -4.53 118.33 117.87 1d2b n VAL 69 Ca 0.31 -1.17 -0.09 0.00 -2.96 0.00 0.00 64.34 60.44 1d2b n VAL 69 Cb 0.99 -1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 32.48 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b n GLY 71 N 1.52 2.83 2.76 0.00 0.00 -1.23 -4.11 105.19 106.96 1d2b n GLY 71 Ca -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1d2b n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d2b s TYR 72 N 0.00 -0.82 -0.78 1.61 5.04 -1.26 -2.27 117.35 118.87 1d2b s TYR 72 Ca 0.00 -0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.19 1d2b s TYR 72 Cb 0.00 0.16 -0.06 0.00 0.35 0.00 0.00 41.96 42.41 1d2b s TYR 72 CO 0.00 -0.63 2.06 -0.06 -1.34 0.00 0.00 175.55 175.58 1d2b s PHE 73 N 1.18 1.58 -0.35 4.97 0.08 -1.26 -4.90 117.98 119.28 1d2b s PHE 73 Ca 0.23 1.02 -0.13 0.00 0.12 0.00 0.00 56.93 58.17 1d2b s PHE 73 Cb 0.06 -3.89 -0.01 0.00 -0.57 0.00 0.00 43.02 38.61 1d2b s PHE 73 CO -0.09 -1.91 0.24 -1.58 -0.10 0.00 0.00 175.22 171.78 1d2b s HIS 74 N 10.98 3.23 -0.85 0.36 5.65 -1.26 -5.02 115.29 128.37 1d2b s HIS 74 Ca 0.76 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.72 1d2b s HIS 74 Cb -0.10 -2.48 0.24 0.00 -1.18 0.00 0.00 32.58 29.06 1d2b s HIS 74 CO 0.08 -0.43 0.87 0.54 -0.65 0.00 0.00 174.74 175.16 1d2b n ARG 75 N 5.10 2.87 -3.22 2.88 3.00 -1.26 -4.98 116.66 121.04 1d2b n ARG 75 Ca -0.12 -4.54 0.03 0.00 -0.01 0.00 0.00 57.85 53.20 1d2b n ARG 75 Cb 0.49 -2.38 -0.01 0.00 0.00 0.00 0.00 32.46 30.55 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1d2b s SER 76 N -1.12 -1.35 0.08 0.55 0.01 -1.26 -5.00 113.70 105.61 1d2b s SER 76 Ca 0.31 0.98 0.26 0.00 1.31 0.00 0.00 55.95 58.80 1d2b s SER 76 Cb 0.01 2.18 0.65 0.00 0.21 0.00 0.00 66.02 69.07 1d2b s SER 76 CO -0.06 -0.25 1.55 0.00 0.41 0.00 0.00 173.24 174.88 1d2b n HIS 77 N 5.43 0.38 -2.00 2.43 1.44 -1.26 -4.83 115.22 116.81 1d2b n HIS 77 Ca -0.03 0.11 -0.43 0.00 -2.01 0.00 0.00 57.72 55.36 1d2b n HIS 77 Cb 0.51 -0.58 -0.03 0.00 0.12 0.00 0.00 29.99 30.02 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1d2b s ASN 78 N -3.73 5.93 0.15 4.39 3.04 -1.26 -4.85 114.94 118.60 1d2b s ASN 78 Ca 0.10 1.34 0.26 0.00 0.04 0.00 0.00 52.86 54.60 1d2b s ASN 78 Cb 0.15 -2.53 0.74 0.00 -1.54 0.00 0.00 41.25 38.08 1d2b s ASN 78 CO 0.66 -1.67 1.67 -2.11 -3.04 0.00 0.00 177.10 172.60 1d2b n ARG 79 N 8.38 0.22 0.00 0.43 1.85 -1.25 -3.26 116.66 123.02 1d2b n ARG 79 Ca 0.23 0.14 0.10 0.00 -1.00 0.00 0.00 57.85 57.32 1d2b n ARG 79 Cb 0.46 -1.72 0.04 0.00 -1.05 0.00 0.00 32.46 30.20 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1d2b n SER 80 N -2.08 2.30 -4.68 2.89 3.41 -1.26 -4.44 113.62 109.76 1d2b n SER 80 Ca 0.05 -1.65 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 1d2b n SER 80 Cb 0.42 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d2b s GLU 81 N -1.96 4.37 1.03 4.33 2.12 -1.20 -5.01 118.70 122.38 1d2b s GLU 81 Ca 0.20 1.29 -0.13 0.00 0.36 0.00 0.00 54.97 56.69 1d2b s GLU 81 Cb 0.16 -3.56 0.20 0.00 0.26 0.00 0.00 34.13 31.19 1d2b s GLU 81 CO 0.37 -0.36 1.10 -1.21 -0.54 0.00 0.00 175.26 174.62 1d2b s GLU 82 N 2.22 0.19 0.34 4.30 2.02 -1.26 -4.12 118.70 122.39 1d2b s GLU 82 Ca 0.45 0.37 -0.16 0.00 0.02 0.00 0.00 54.97 55.65 1d2b s GLU 82 Cb -0.17 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.37 1d2b s GLU 82 CO 0.15 -2.86 0.73 -0.06 0.02 0.00 0.00 175.26 173.24 1d2b s PHE 83 N -3.02 0.10 -0.26 1.61 0.08 0.41 -4.63 117.98 112.27 1d2b s PHE 83 Ca 0.66 -0.67 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 1d2b s PHE 83 Cb -0.17 0.71 0.08 0.00 -0.57 0.00 0.00 43.02 43.07 1d2b s PHE 83 CO 0.57 -1.42 0.05 -1.17 -0.10 0.00 0.00 175.22 173.15 1d2b s LEU 84 N -3.03 2.04 -0.29 -0.37 1.98 0.12 -1.39 118.68 117.74 1d2b s LEU 84 Ca 0.15 -1.32 -0.09 0.00 -2.89 0.00 0.00 54.13 49.98 1d2b s LEU 84 Cb -0.05 -0.86 -0.01 0.00 0.66 0.00 0.00 46.19 45.93 1d2b s LEU 84 CO 0.11 -0.35 0.13 -0.63 -1.89 0.00 0.00 176.35 173.72 1d2b s ILE 85 N 1.63 4.55 -0.27 6.68 -1.09 0.36 -1.19 121.20 131.88 1d2b s ILE 85 Ca 0.04 -0.33 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 1d2b s ILE 85 Cb -0.18 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1d2b s ILE 85 CO -0.16 0.15 0.42 0.00 -1.23 0.00 0.00 174.94 174.11 1d2b s ALA 86 N 1.62 3.57 -0.28 9.38 0.00 0.03 -1.09 121.76 134.98 1d2b s ALA 86 Ca 0.05 -0.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1d2b s ALA 86 Cb -0.16 -2.78 0.16 0.00 0.00 0.00 0.00 23.12 20.34 1d2b s ALA 86 CO 0.06 -0.71 1.27 0.20 0.00 0.00 0.00 175.76 176.57 1d2b s GLY 87 N 1.62 0.12 0.91 0.00 0.00 0.77 -4.50 107.32 106.24 1d2b s GLY 87 Ca 0.17 3.06 -0.15 0.00 0.00 0.00 0.00 44.72 47.80 1d2b s GLY 87 CO 0.10 1.73 1.27 0.54 0.00 0.00 0.00 173.10 176.74 1d2b s LYS 88 N -0.14 1.06 0.04 2.90 3.01 -1.15 0.99 119.74 126.45 1d2b s LYS 88 Ca 0.05 -0.21 0.07 0.00 -1.01 0.00 0.00 55.97 54.87 1d2b s LYS 88 Cb -0.04 -1.88 -0.03 0.00 -1.01 0.00 0.00 37.83 34.87 1d2b s LYS 88 CO -0.10 -2.16 -0.17 -0.51 0.51 0.00 0.00 175.35 172.91 1d2b s LEU 89 N -5.81 2.66 -0.30 3.17 1.43 -1.26 -0.74 118.68 117.82 1d2b s LEU 89 Ca 0.70 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1d2b s LEU 89 Cb -0.07 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.66 1d2b s LEU 89 CO 0.52 0.25 -0.00 -1.58 0.23 0.00 0.00 176.35 175.77 1d2b s GLN 90 N -1.47 2.39 -0.09 1.70 -0.44 0.57 -4.75 119.66 117.57 1d2b s GLN 90 Ca 0.15 -1.30 -0.01 0.00 -2.50 0.00 0.00 55.36 51.70 1d2b s GLN 90 Cb -0.11 -3.17 0.01 0.00 -1.64 0.00 0.00 33.01 28.10 1d2b s GLN 90 CO 0.06 -0.64 0.03 -0.25 0.50 0.00 0.00 175.29 174.99 1d2b n ASP 91 N 4.60 -0.81 0.00 6.67 9.92 -1.26 0.79 116.55 136.47 1d2b n ASP 91 Ca -0.13 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1d2b n ASP 91 Cb 0.43 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2b n GLY 92 N -0.42 3.19 3.74 0.44 0.00 -1.26 -5.09 105.19 105.79 1d2b n GLY 92 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1d2b n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2b s LEU 93 N 0.00 4.48 0.63 0.99 1.43 0.24 -4.70 118.68 121.75 1d2b s LEU 93 Ca 0.00 2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 55.14 1d2b s LEU 93 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1d2b s LEU 93 CO 0.00 -0.28 1.09 -0.22 0.23 0.00 0.00 176.35 177.17 1d2b s LEU 94 N -0.50 3.44 -0.00 1.79 2.96 -1.24 0.21 118.68 125.33 1d2b s LEU 94 Ca 0.50 1.95 0.01 0.00 -0.22 0.00 0.00 54.13 56.36 1d2b s LEU 94 Cb -0.31 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.83 1d2b s LEU 94 CO 0.37 -1.46 -0.02 -1.00 -1.32 0.00 0.00 176.35 172.92 1d2b s HIS 95 N -2.35 0.19 0.29 5.38 3.76 0.08 0.70 115.29 123.33 1d2b s HIS 95 Ca 0.66 -0.02 -0.15 0.00 -0.15 0.00 0.00 55.06 55.40 1d2b s HIS 95 Cb -0.19 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.36 1d2b s HIS 95 CO 0.39 -0.02 0.61 0.96 -0.85 0.00 0.00 174.74 175.83 1d2b s ILE 96 N 0.10 0.00 0.00 0.60 -0.00 -1.18 -2.94 121.20 117.77 1d2b s ILE 96 Ca -0.01 -1.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.42 1d2b s ILE 96 Cb -0.02 -2.28 0.00 0.00 -0.00 0.00 0.00 42.46 40.15 1d2b s ILE 96 CO -0.00 0.00 0.00 0.35 -0.00 0.00 0.00 174.94 175.29 1d2b n THR 97 N -0.45 0.00 0.39 8.37 -2.24 -1.17 -4.34 114.28 114.84 1d2b n THR 97 Ca -0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1d2b n THR 97 Cb 0.61 -0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.93 1d2b n THR 97 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1d2b n THR 98 N -0.05 0.41 -0.01 4.28 5.66 -0.96 -4.32 114.28 119.28 1d2b n THR 98 Ca 0.00 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1d2b n THR 98 Cb 0.00 1.06 -0.02 0.00 -1.55 0.00 0.00 70.33 69.82 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -2.76 4.93 -0.52 0.00 0.01 -1.26 -4.48 113.70 109.62 1d2b s SER 100 Ca -0.01 2.35 -0.28 0.00 1.31 0.00 0.00 55.95 59.31 1d2b s SER 100 Cb 0.02 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 1d2b s SER 100 CO 0.13 -1.77 2.41 0.33 0.41 0.00 0.00 173.24 174.75 1d2b n PHE 101 N -1.95 1.38 -3.42 2.43 -0.00 -1.26 -4.86 117.46 109.78 1d2b n PHE 101 Ca 0.13 0.15 -0.17 0.00 -0.00 0.00 0.00 57.45 57.56 1d2b n PHE 101 Cb 0.50 -2.60 -0.10 0.00 -0.00 0.00 0.00 39.48 37.28 1d2b n PHE 101 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1d2b s VAL 102 N 10.69 -0.40 0.30 -2.13 1.01 -1.26 -0.79 120.40 127.83 1d2b s VAL 102 Ca 1.06 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 1d2b s VAL 102 Cb -0.44 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1d2b s VAL 102 CO 0.33 -0.36 0.68 0.00 0.00 0.00 0.00 175.10 175.76 1d2b s ALA 103 N 2.37 -0.83 -0.04 5.51 0.00 -0.33 -4.97 121.76 123.47 1d2b s ALA 103 Ca 0.09 -0.58 -0.32 0.00 0.00 0.00 0.00 51.96 51.15 1d2b s ALA 103 Cb -0.15 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.73 1d2b s ALA 103 CO -0.25 -0.98 1.95 -2.30 0.00 0.00 0.00 175.76 174.17 1d2b n PRO 104 N -0.47 2.47 -0.22 0.00 -0.02 -1.26 0.14 135.00 135.64 1d2b n PRO 104 Ca -0.04 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.30 1d2b n PRO 104 Cb 0.60 -2.84 0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 10.20 -0.70 0.00 6.00 -0.00 -1.82 1.11 115.95 130.74 1d2b h TRP 105 Ca -0.48 0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 1d2b h TRP 105 Cb 1.26 0.40 0.00 0.00 -0.00 0.00 0.00 29.16 30.82 1d2b h TRP 105 CO 0.92 -0.35 0.00 0.09 -0.00 0.00 0.00 178.44 179.10 1d2b n ASN 106 N -5.45 0.00 0.00 2.65 4.13 -1.26 0.50 115.26 115.83 1d2b n ASN 106 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1d2b n ASN 106 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1d2b n SER 107 N 0.04 0.14 -4.79 6.41 2.88 0.38 -5.07 113.62 113.61 1d2b n SER 107 Ca 0.00 -0.47 -0.34 0.00 -1.33 0.00 0.00 58.87 56.73 1d2b n SER 107 Cb 0.00 0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1d2b s LEU 108 N -1.07 3.77 -0.09 2.46 2.01 0.18 -4.97 118.68 120.98 1d2b s LEU 108 Ca 0.00 1.98 -0.30 0.00 0.01 0.00 0.00 54.13 55.82 1d2b s LEU 108 Cb 0.00 -4.56 -0.04 0.00 0.01 0.00 0.00 46.19 41.59 1d2b s LEU 108 CO 0.00 -0.95 1.56 -0.44 1.01 0.00 0.00 176.35 177.53 1d2b s SER 109 N -2.04 6.72 0.38 2.29 0.01 -1.26 -4.66 113.70 115.15 1d2b s SER 109 Ca 0.68 2.09 0.34 0.00 1.31 0.00 0.00 55.95 60.37 1d2b s SER 109 Cb -0.18 -2.53 1.20 0.00 0.21 0.00 0.00 66.02 64.71 1d2b s SER 109 CO 0.24 -0.90 1.09 0.00 0.41 0.00 0.00 173.24 174.08 1d2b n LEU 110 N 7.07 0.02 0.08 2.44 -0.00 -1.26 0.57 117.00 125.91 1d2b n LEU 110 Ca 0.17 0.73 -0.20 0.00 -0.00 0.00 0.00 56.01 56.70 1d2b n LEU 110 Cb 0.43 -0.36 -0.15 0.00 -0.00 0.00 0.00 43.42 43.34 1d2b n LEU 110 CO 0.61 -0.74 -0.42 0.00 -0.00 0.00 0.00 177.39 176.84 1d2b h ALA 111 N 0.75 0.18 -0.03 1.47 0.00 -1.99 -2.93 119.26 116.71 1d2b h ALA 111 Ca 0.66 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1d2b h ALA 111 Cb 2.57 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.71 1d2b h ALA 111 CO -0.05 1.05 0.00 0.94 0.00 0.00 0.00 179.25 181.19 1d2b n GLN 112 N -3.54 1.41 0.06 0.00 7.27 2.33 0.11 117.38 125.02 1d2b n GLN 112 Ca -0.20 -0.60 -0.23 0.00 0.07 0.00 0.00 57.00 56.05 1d2b n GLN 112 Cb 1.06 -1.46 -0.15 0.00 2.41 0.00 0.00 30.24 32.11 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1d2b h ARG 113 N 1.40 0.36 -0.05 3.69 2.43 0.58 -3.07 114.38 119.73 1d2b h ARG 113 Ca 0.00 -0.62 -0.07 0.00 -0.81 0.00 0.00 59.98 58.48 1d2b h ARG 113 Cb 0.30 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1d2b h ARG 113 CO 0.00 1.30 -0.24 0.07 -1.51 0.00 0.00 179.97 179.58 1d2b h ARG 114 N 0.01 0.25 -1.25 0.20 -0.00 -1.22 -2.86 114.38 109.50 1d2b h ARG 114 Ca -0.33 -0.20 0.41 0.00 -0.00 0.00 0.00 59.98 59.86 1d2b h ARG 114 Cb 2.02 0.04 -0.13 0.00 -0.00 0.00 0.00 29.97 31.90 1d2b h ARG 114 CO 0.15 0.86 0.79 0.78 -0.00 0.00 0.00 179.97 182.55 1d2b h GLY 115 N -0.30 1.43 0.00 0.08 0.00 0.73 1.12 103.07 106.14 1d2b h GLY 115 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1d2b h GLY 115 CO 0.05 -0.42 -0.10 0.74 0.00 0.00 0.00 176.54 176.81 1d2b h PHE 116 N 0.12 0.00 0.00 5.60 -1.00 -1.51 1.52 116.94 121.66 1d2b h PHE 116 Ca 0.80 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.58 1d2b h PHE 116 Cb 2.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.97 1d2b h PHE 116 CO -0.01 0.41 0.36 0.00 -1.61 0.00 0.00 178.31 177.47 1d2b h THR 117 N -1.00 0.00 0.00 -1.55 1.03 -0.62 -3.35 112.91 107.42 1d2b h THR 117 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1d2b h THR 117 Cb 0.44 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1d2b h THR 117 CO -0.01 0.00 -0.02 1.17 -0.01 0.00 0.00 175.52 176.65 1d2b n LYS 118 N -2.68 0.00 0.01 0.00 4.81 0.36 -5.01 118.16 115.65 1d2b n LYS 118 Ca -0.02 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.53 1d2b n LYS 118 Cb 0.40 -0.30 -0.09 0.00 0.02 0.00 0.00 35.03 35.06 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1d2b n THR 119 N -1.93 0.06 -0.02 3.15 -1.04 0.61 -4.67 114.28 110.44 1d2b n THR 119 Ca 0.00 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 1d2b n THR 119 Cb 0.01 0.39 -0.14 0.00 -1.82 0.00 0.00 70.33 68.77 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -1.93 1.03 0.24 -1.42 4.01 0.49 -0.98 117.16 118.60 1d2b n TYR 120 Ca 0.00 0.31 0.18 0.00 -0.16 0.00 0.00 57.90 58.23 1d2b n TYR 120 Cb 0.45 -1.17 0.85 0.00 -0.31 0.00 0.00 39.34 39.16 1d2b n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1d2b h THR 121 N 0.03 0.20 0.00 -0.72 1.03 -1.81 2.39 112.91 114.03 1d2b h THR 121 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 1d2b h THR 121 Cb 2.03 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1d2b h THR 121 CO 0.08 0.00 -0.93 0.52 -0.01 0.00 0.00 175.52 175.18 1d2b n VAL 122 N -3.33 0.00 -2.15 0.00 0.31 -1.26 -4.79 118.33 107.11 1d2b n VAL 122 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.37 1d2b n VAL 122 Cb 0.40 -0.35 0.10 0.00 -0.91 0.00 0.00 33.84 33.07 1d2b n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d2b n GLY 123 N 2.61 2.98 0.40 2.92 0.00 -0.15 -4.88 105.19 109.06 1d2b n GLY 123 Ca 0.00 -1.15 0.36 0.00 0.00 0.00 0.00 46.02 45.23 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N -4.99 0.00 0.00 0.00 0.28 -1.26 -2.96 120.64 111.71 1d2b n GLU 125 Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1d2b n GLU 125 Cb 1.42 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 33.61 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12