#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b s THR 2 N 0.00 5.16 0.31 0.00 -4.23 -1.26 -3.29 115.64 112.33 1d2b s THR 2 Ca 0.00 -2.43 0.01 0.00 -1.18 0.00 0.00 61.69 58.09 1d2b s THR 2 Cb 0.00 -4.23 0.01 0.00 1.34 0.00 0.00 72.50 69.62 1d2b s THR 2 CO 0.00 -0.97 0.08 0.00 -0.54 0.00 0.00 174.62 173.18 1d2b s VAL 4 N -1.94 3.81 -0.37 0.00 -7.23 -1.26 -4.69 120.40 108.72 1d2b s VAL 4 Ca 0.06 -0.38 -0.32 0.00 -1.81 0.00 0.00 61.98 59.53 1d2b s VAL 4 Cb -0.00 -3.44 -0.14 0.00 0.56 0.00 0.00 36.38 33.36 1d2b s VAL 4 CO 0.04 -0.34 1.58 -2.65 -0.31 0.00 0.00 175.10 173.41 1d2b n PRO 5 N -2.23 0.00 -3.21 4.82 -0.02 -1.26 -4.89 135.00 128.21 1d2b n PRO 5 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.12 1d2b n PRO 5 Cb 0.58 -1.10 -0.06 0.00 -0.02 0.00 0.00 33.50 32.90 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 4.44 4.30 0.01 0.52 0.05 -1.26 -4.98 135.00 138.08 1d2b s PRO 6 Ca 0.88 0.56 -0.18 0.00 0.05 0.00 0.00 61.00 62.31 1d2b s PRO 6 Cb -1.10 -3.49 -0.09 0.00 0.05 0.00 0.00 34.50 29.87 1d2b s PRO 6 CO 0.48 -0.00 0.47 -2.39 0.05 0.00 0.00 177.00 175.61 1d2b n HIS 7 N 4.19 0.25 0.52 0.56 1.44 -1.26 -4.51 115.22 116.40 1d2b n HIS 7 Ca -0.04 0.48 0.07 0.00 -2.01 0.00 0.00 57.72 56.21 1d2b n HIS 7 Cb 0.51 -0.95 0.31 0.00 0.12 0.00 0.00 29.99 29.98 1d2b n HIS 7 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1d2b n PRO 8 N 0.66 0.05 -0.10 -1.40 -0.04 -1.17 -0.16 135.00 132.85 1d2b n PRO 8 Ca 0.09 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1d2b n PRO 8 Cb 0.04 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 1d2b n PRO 8 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1d2b h GLN 9 N 0.00 0.79 0.05 0.54 -0.00 -0.97 0.33 115.11 115.85 1d2b h GLN 9 Ca 0.00 -0.43 -0.27 0.00 -0.00 0.00 0.00 58.65 57.96 1d2b h GLN 9 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 1d2b h GLN 9 CO 0.00 1.06 -1.43 1.15 0.00 0.00 0.00 178.83 179.61 1d2b h THR 10 N 0.56 0.89 -0.72 2.39 2.02 -1.65 -3.23 112.91 113.17 1d2b h THR 10 Ca 0.05 -2.27 0.08 0.00 0.77 0.00 0.00 66.41 65.03 1d2b h THR 10 Cb 0.93 2.43 -0.06 0.00 -1.74 0.00 0.00 68.15 69.70 1d2b h THR 10 CO 0.08 0.55 0.40 0.00 0.37 0.00 0.00 175.52 176.92 1d2b h ALA 11 N -0.24 0.99 0.32 6.16 0.00 -0.60 0.43 119.26 126.32 1d2b h ALA 11 Ca -0.35 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1d2b h ALA 11 Cb 1.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1d2b h ALA 11 CO -0.07 0.04 -0.16 0.35 0.00 0.00 0.00 179.25 179.41 1d2b h PHE 12 N 0.70 -0.40 -0.61 0.00 3.04 -0.52 -2.50 116.94 116.64 1d2b h PHE 12 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1d2b h PHE 12 Cb 0.27 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1d2b h PHE 12 CO -0.08 -0.25 0.39 0.00 -2.02 0.00 0.00 178.31 176.35 1d2b h ASN 14 N 0.83 0.39 -3.30 0.00 -1.24 -0.27 -3.44 115.58 108.55 1d2b h ASN 14 Ca 0.22 -0.51 -0.53 0.00 0.71 0.00 0.00 56.30 56.19 1d2b h ASN 14 Cb -0.07 -0.11 0.06 0.00 0.73 0.00 0.00 38.32 38.93 1d2b h ASN 14 CO -0.05 0.83 0.82 -0.44 -1.29 0.00 0.00 177.43 177.30 1d2b s SER 15 N -6.19 6.55 -0.09 1.15 0.01 -0.94 -4.87 113.70 109.32 1d2b s SER 15 Ca -0.14 2.76 0.13 0.00 1.31 0.00 0.00 55.95 60.00 1d2b s SER 15 Cb 0.05 -2.62 0.52 0.00 0.21 0.00 0.00 66.02 64.18 1d2b s SER 15 CO 0.76 -0.79 1.38 0.47 0.41 0.00 0.00 173.24 175.47 1d2b n ASP 16 N 2.45 3.60 -3.64 2.44 8.00 -1.22 -4.79 116.55 123.38 1d2b n ASP 16 Ca 0.08 -2.35 -0.05 0.00 0.71 0.00 0.00 54.79 53.19 1d2b n ASP 16 Cb 0.39 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.92 1d2b n ASP 16 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1d2b s LEU 17 N -1.49 -0.40 -0.02 0.64 0.05 0.41 -4.46 118.68 113.40 1d2b s LEU 17 Ca 0.36 0.70 0.00 0.00 0.05 0.00 0.00 54.13 55.25 1d2b s LEU 17 Cb 0.24 1.67 0.03 0.00 -2.05 0.00 0.00 46.19 46.08 1d2b s LEU 17 CO 0.17 -0.12 0.02 -0.69 -0.55 0.00 0.00 176.35 175.18 1d2b s VAL 18 N 0.75 0.01 0.00 1.48 1.01 -1.07 0.23 120.40 122.82 1d2b s VAL 18 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1d2b s VAL 18 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.21 1d2b s VAL 18 CO -0.11 0.10 0.00 2.30 0.00 0.00 0.00 175.10 177.38 1d2b n ILE 19 N 4.05 0.00 -3.90 2.22 -5.35 0.31 0.28 119.36 116.97 1d2b n ILE 19 Ca -0.26 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.04 1d2b n ILE 19 Cb 0.51 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.25 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 -1.62 0.36 0.23 6.28 1.70 -0.39 -0.82 118.95 124.69 1d2b s ARG 20 Ca 0.00 0.10 -0.16 0.00 -0.47 0.00 0.00 55.73 55.19 1d2b s ARG 20 Cb 0.00 -0.59 0.01 0.00 -0.57 0.00 0.00 34.95 33.80 1d2b s ARG 20 CO 0.00 -0.18 0.54 0.00 -1.08 0.00 0.00 175.30 174.59 1d2b s ALA 21 N 1.28 -0.72 0.09 7.88 0.00 0.57 -1.83 121.76 129.03 1d2b s ALA 21 Ca -0.06 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1d2b s ALA 21 Cb -0.13 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1d2b s ALA 21 CO -0.02 -0.87 -0.08 0.15 0.00 0.00 0.00 175.76 174.94 1d2b s LYS 22 N -3.94 2.27 -0.26 0.00 1.02 0.89 0.26 119.74 119.98 1d2b s LYS 22 Ca 0.15 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 55.04 1d2b s LYS 22 Cb -0.02 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1d2b s LYS 22 CO 0.04 0.53 0.36 -0.06 -0.92 0.00 0.00 175.35 175.29 1d2b s PHE 23 N -1.21 3.27 0.00 3.18 0.40 -1.24 0.37 117.98 122.75 1d2b s PHE 23 Ca 0.22 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1d2b s PHE 23 Cb -0.11 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.88 1d2b s PHE 23 CO 0.14 -0.17 0.00 1.33 0.70 0.00 0.00 175.22 177.22 1d2b n VAL 24 N 4.93 0.00 -0.48 -0.44 0.24 -0.79 -4.28 118.33 117.51 1d2b n VAL 24 Ca -0.09 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.99 1d2b n VAL 24 Cb 0.51 -0.23 0.18 0.00 -1.47 0.00 0.00 33.84 32.83 1d2b n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d2b n GLY 25 N 3.88 -2.77 3.81 7.63 0.00 -0.98 -4.89 105.19 111.88 1d2b n GLY 25 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1d2b n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1d2b s THR 26 N -2.11 4.51 -0.04 2.61 -1.32 -1.26 -4.04 115.64 114.00 1d2b s THR 26 Ca 0.45 -1.16 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 1d2b s THR 26 Cb -0.08 -3.35 -0.05 0.00 -1.51 0.00 0.00 72.50 67.51 1d2b s THR 26 CO 0.42 -0.18 1.39 -2.16 -2.21 0.00 0.00 174.62 171.89 1d2b s PRO 27 N -3.33 4.27 -0.37 7.08 0.04 -1.26 -4.33 135.00 137.10 1d2b s PRO 27 Ca 0.32 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1d2b s PRO 27 Cb -0.09 -3.65 0.02 0.00 0.04 0.00 0.00 34.50 30.81 1d2b s PRO 27 CO 0.24 -0.62 0.96 -1.83 0.04 0.00 0.00 177.00 175.79 1d2b s GLU 28 N 2.75 3.86 -0.56 4.56 -1.05 -0.95 -4.81 118.70 122.50 1d2b s GLU 28 Ca 0.63 0.64 -0.07 0.00 -0.15 0.00 0.00 54.97 56.02 1d2b s GLU 28 Cb -0.30 -3.80 0.15 0.00 -0.44 0.00 0.00 34.13 29.74 1d2b s GLU 28 CO 0.25 -0.97 0.42 0.08 0.95 0.00 0.00 175.26 175.98 1d2b s VAL 29 N 3.57 4.17 0.58 1.83 1.01 -1.26 -2.33 120.40 127.98 1d2b s VAL 29 Ca 0.40 -2.27 -0.15 0.00 0.00 0.00 0.00 61.98 59.95 1d2b s VAL 29 Cb -0.12 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1d2b s VAL 29 CO 0.19 -0.84 1.04 0.21 0.00 0.00 0.00 175.10 175.71 1d2b s ASN 30 N 1.92 5.95 0.00 3.32 2.47 -1.26 -4.92 114.94 122.42 1d2b s ASN 30 Ca 0.11 1.74 0.30 0.00 0.42 0.00 0.00 52.86 55.42 1d2b s ASN 30 Cb -0.22 -2.52 1.42 0.00 -1.45 0.00 0.00 41.25 38.48 1d2b s ASN 30 CO -0.03 -1.05 1.99 0.00 -3.72 0.00 0.00 177.10 174.29 1d2b n GLN 31 N -2.03 0.48 -1.57 0.43 1.13 -1.26 -3.89 117.38 110.67 1d2b n GLN 31 Ca 0.08 -0.06 0.01 0.00 -1.94 0.00 0.00 57.00 55.09 1d2b n GLN 31 Cb 0.53 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.39 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 -1.21 0.13 -0.13 5.09 -1.04 -1.26 -4.86 114.28 111.00 1d2b n THR 32 Ca 0.14 -0.96 -0.29 0.00 -2.04 0.00 0.00 64.05 60.90 1d2b n THR 32 Cb 0.25 0.91 -0.10 0.00 -1.82 0.00 0.00 70.33 69.58 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 0.19 1.53 0.00 12.58 5.66 -1.25 -4.96 114.28 128.02 1d2b n THR 33 Ca -0.03 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1d2b n THR 33 Cb 1.00 -1.91 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 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 -4.15 1.09 4.77 -1.26 -4.89 117.00 108.28 1d2b n LEU 34 Ca -0.51 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.35 1d2b n LEU 34 Cb 0.85 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.86 1d2b n LEU 34 CO 0.06 0.00 -0.12 -0.72 -1.33 0.00 0.00 177.39 175.28 1d2b s TYR 35 N -2.37 0.98 0.32 -1.77 -0.85 -1.26 0.79 117.35 113.20 1d2b s TYR 35 Ca 0.00 -1.22 0.03 0.00 -0.52 0.00 0.00 57.07 55.36 1d2b s TYR 35 Cb 0.00 -0.36 -0.05 0.00 0.38 0.00 0.00 41.96 41.92 1d2b s TYR 35 CO 0.00 -0.75 0.08 -0.65 -1.52 0.00 0.00 175.55 172.71 1d2b s GLN 36 N -4.07 1.65 -0.29 -3.49 -0.21 0.58 -4.27 119.66 109.56 1d2b s GLN 36 Ca 0.35 -1.93 -0.02 0.00 0.02 0.00 0.00 55.36 53.77 1d2b s GLN 36 Cb 0.05 -0.65 0.10 0.00 1.00 0.00 0.00 33.01 33.50 1d2b s GLN 36 CO 0.12 -0.28 0.11 1.03 -2.12 0.00 0.00 175.29 174.15 1d2b s ARG 37 N -3.89 0.48 0.28 2.91 0.52 -0.98 -2.20 118.95 116.06 1d2b s ARG 37 Ca 0.34 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.65 1d2b s ARG 37 Cb 0.07 -1.66 -0.08 0.00 0.52 0.00 0.00 34.95 33.81 1d2b s ARG 37 CO 0.15 -0.97 0.64 0.71 0.02 0.00 0.00 175.30 175.85 1d2b s TYR 38 N 1.84 3.40 -0.10 -0.53 1.51 -0.95 -2.23 117.35 120.29 1d2b s TYR 38 Ca 0.09 1.03 -0.03 0.00 -1.01 0.00 0.00 57.07 57.14 1d2b s TYR 38 Cb -0.17 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1d2b s TYR 38 CO -0.28 0.17 0.04 -2.00 -1.11 0.00 0.00 175.55 172.36 1d2b s GLU 39 N -2.96 3.18 -0.01 -0.62 2.56 -1.26 -1.54 118.70 118.05 1d2b s GLU 39 Ca 0.50 -0.34 0.01 0.00 0.00 0.00 0.00 54.97 55.14 1d2b s GLU 39 Cb -0.11 -2.92 0.01 0.00 2.00 0.00 0.00 34.13 33.11 1d2b s GLU 39 CO 0.20 0.68 -0.03 0.96 -0.56 0.00 0.00 175.26 176.51 1d2b s ILE 40 N -0.79 0.32 -1.10 -3.70 -4.36 -0.86 -1.89 121.20 108.81 1d2b s ILE 40 Ca 0.12 -0.11 -0.22 0.00 -0.26 0.00 0.00 60.65 60.18 1d2b s ILE 40 Cb -0.12 -0.32 -0.01 0.00 1.25 0.00 0.00 42.46 43.26 1d2b s ILE 40 CO 0.03 0.12 1.80 -0.75 0.24 0.00 0.00 174.94 176.38 1d2b s LYS 41 N 0.29 3.06 0.08 0.37 2.36 1.17 -4.80 119.74 122.26 1d2b s LYS 41 Ca -0.03 -1.11 -0.31 0.00 -2.55 0.00 0.00 55.97 51.98 1d2b s LYS 41 Cb -0.06 -5.28 -0.10 0.00 -1.05 0.00 0.00 37.83 31.34 1d2b s LYS 41 CO -0.00 -3.09 1.87 1.41 1.55 0.00 0.00 175.35 177.08 1d2b s MET 42 N 5.82 4.14 -0.12 4.03 -2.45 -1.26 -0.08 119.30 129.39 1d2b s MET 42 Ca 0.61 2.58 -0.08 0.00 -1.25 0.00 0.00 55.69 57.55 1d2b s MET 42 Cb -0.01 -3.82 -0.03 0.00 1.25 0.00 0.00 34.83 32.23 1d2b s MET 42 CO 0.04 -0.88 -0.15 0.25 1.05 0.00 0.00 175.02 175.32 1d2b n THR 43 N 5.06 1.20 -3.69 10.11 -2.24 -0.87 -4.89 114.28 118.96 1d2b n THR 43 Ca 0.18 0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1d2b n THR 43 Cb 0.39 -2.26 -0.09 0.00 -2.10 0.00 0.00 70.33 66.28 1d2b n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d2b s LYS 44 N -2.07 0.65 0.07 -0.78 1.02 -0.76 -5.04 119.74 112.84 1d2b s LYS 44 Ca -0.13 0.59 -0.20 0.00 0.02 0.00 0.00 55.97 56.26 1d2b s LYS 44 Cb 0.02 0.31 -0.07 0.00 -0.52 0.00 0.00 37.83 37.57 1d2b s LYS 44 CO 0.19 -0.10 0.58 -1.64 -0.92 0.00 0.00 175.35 173.45 1d2b s MET 45 N -0.01 4.22 -0.22 1.68 -1.94 -1.26 -1.26 119.30 120.51 1d2b s MET 45 Ca -0.02 0.75 -0.05 0.00 -1.71 0.00 0.00 55.69 54.66 1d2b s MET 45 Cb -0.03 -3.24 -0.12 0.00 2.01 0.00 0.00 34.83 33.44 1d2b s MET 45 CO 0.02 0.62 -0.24 0.66 -0.01 0.00 0.00 175.02 176.07 1d2b n TYR 46 N 1.77 0.00 -4.06 -0.03 4.02 0.65 -4.91 117.16 114.59 1d2b n TYR 46 Ca -0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.59 1d2b n TYR 46 Cb 0.51 -0.82 -0.17 0.00 -0.02 0.00 0.00 39.34 38.84 1d2b n TYR 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1d2b s LYS 47 N -2.42 0.76 0.00 -0.72 2.20 0.80 -4.86 119.74 115.50 1d2b s LYS 47 Ca -0.30 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1d2b s LYS 47 Cb 0.10 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 1d2b s LYS 47 CO 0.45 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1d2b n GLY 48 N 4.28 -0.06 0.00 5.54 0.00 -1.26 -2.58 105.19 111.11 1d2b n GLY 48 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.00 -0.10 1.61 3.01 -1.26 -1.12 117.46 119.59 1d2b n PHE 49 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1d2b n PHE 49 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 1d2b n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1d2b n GLN 50 N -0.62 0.55 -0.28 -1.08 10.64 -1.26 -3.93 117.38 121.39 1d2b n GLN 50 Ca 0.04 0.47 0.01 0.00 -1.83 0.00 0.00 57.00 55.68 1d2b n GLN 50 Cb 0.02 -1.65 0.13 0.00 -0.86 0.00 0.00 30.24 27.88 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1d2b h ALA 51 N -0.75 1.10 -0.49 2.61 0.00 -1.68 -3.44 119.26 116.61 1d2b h ALA 51 Ca -0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1d2b h ALA 51 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1d2b h ALA 51 CO -0.20 0.17 0.00 1.47 0.00 0.00 0.00 179.25 180.69 1d2b n LEU 52 N -4.70 0.00 -0.46 0.00 -0.00 -0.28 -5.08 117.00 106.48 1d2b n LEU 52 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1d2b n LEU 52 Cb 0.20 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1d2b n LEU 52 CO 0.29 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 177.88 1d2b n GLY 53 N 0.01 0.96 0.00 1.47 0.00 -1.08 -4.74 105.19 101.80 1d2b n GLY 53 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1d2b n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d2b n ASP 54 N 1.38 0.00 0.00 1.61 2.03 -1.26 -4.90 116.55 115.40 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1d2b n ASP 54 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d2b n ALA 55 N -1.79 1.45 -3.92 -1.67 0.00 -1.26 -5.03 120.51 108.29 1d2b n ALA 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1d2b n ALA 55 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.35 3.52 -0.12 0.00 0.00 -1.26 -4.78 121.76 117.76 1d2b s ALA 56 Ca 0.00 -3.52 0.16 0.00 0.00 0.00 0.00 51.96 48.59 1d2b s ALA 56 Cb 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1d2b s ALA 56 CO 0.00 -2.06 1.09 0.22 0.00 0.00 0.00 175.76 175.02 1d2b h ASP 57 N 5.99 0.00 -4.22 0.00 1.82 -1.95 -3.45 116.42 114.60 1d2b h ASP 57 Ca 0.03 0.00 -0.69 0.00 -0.39 0.00 0.00 57.03 55.97 1d2b h ASP 57 Cb 0.83 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.54 1d2b h ASP 57 CO 0.70 0.57 -0.88 -0.63 -1.61 0.00 0.00 179.24 177.39 1d2b s ILE 58 N -2.93 2.16 0.00 2.25 -1.09 -1.26 -4.88 121.20 115.45 1d2b s ILE 58 Ca 0.00 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 1d2b s ILE 58 Cb 0.08 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1d2b s ILE 58 CO 0.79 0.57 0.00 0.54 -1.23 0.00 0.00 174.94 175.61 1d2b n ARG 59 N 2.72 0.00 -3.84 2.79 1.74 -1.26 -4.79 116.66 114.03 1d2b n ARG 59 Ca -0.17 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.79 1d2b n ARG 59 Cb 0.52 -0.26 -0.11 0.00 -1.02 0.00 0.00 32.46 31.59 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 -1.00 -0.08 -0.21 -1.55 0.40 -1.26 -2.03 117.98 112.24 1d2b s PHE 60 Ca 0.00 0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1d2b s PHE 60 Cb 0.00 0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.54 1d2b s PHE 60 CO 0.00 -0.21 -0.08 0.14 0.70 0.00 0.00 175.22 175.77 1d2b s VAL 61 N -0.70 3.09 -0.47 -0.44 -7.23 -0.59 -3.93 120.40 110.12 1d2b s VAL 61 Ca -0.08 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 1d2b s VAL 61 Cb -0.05 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.58 1d2b s VAL 61 CO 0.01 0.45 0.42 -0.31 -0.31 0.00 0.00 175.10 175.37 1d2b s TYR 62 N 1.40 3.22 -0.14 2.82 1.51 0.49 -2.24 117.35 124.41 1d2b s TYR 62 Ca 0.05 -0.86 -0.04 0.00 -1.01 0.00 0.00 57.07 55.21 1d2b s TYR 62 Cb -0.14 -3.20 -0.03 0.00 -0.11 0.00 0.00 41.96 38.48 1d2b s TYR 62 CO -0.05 -0.82 -0.01 -0.08 -1.11 0.00 0.00 175.55 173.47 1d2b s THR 63 N 1.78 4.14 0.15 -0.71 -1.32 -0.94 -3.10 115.64 115.64 1d2b s THR 63 Ca 0.06 -0.28 -0.34 0.00 -1.21 0.00 0.00 61.69 59.91 1d2b s THR 63 Cb -0.23 -2.80 -0.15 0.00 -1.51 0.00 0.00 72.50 67.81 1d2b s THR 63 CO 0.07 0.52 1.41 -2.65 -2.21 0.00 0.00 174.62 171.76 1d2b n PRO 64 N 3.13 1.64 -3.07 7.08 -0.02 -1.25 0.22 135.00 142.72 1d2b n PRO 64 Ca -0.18 0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 61.45 1d2b n PRO 64 Cb 0.53 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b s ALA 65 N 0.44 3.84 0.21 3.55 0.00 4.22 -3.97 121.76 130.05 1d2b s ALA 65 Ca 0.78 -3.16 -0.05 0.00 0.00 0.00 0.00 51.96 49.53 1d2b s ALA 65 Cb -0.79 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 18.41 1d2b s ALA 65 CO 0.45 -2.68 0.23 -1.64 0.00 0.00 0.00 175.76 172.12 1d2b s MET 66 N 1.38 1.30 0.01 0.00 -1.94 -1.26 -4.30 119.30 114.48 1d2b s MET 66 Ca 0.31 -1.51 -0.13 0.00 -1.71 0.00 0.00 55.69 52.65 1d2b s MET 66 Cb -0.06 0.33 -0.07 0.00 2.01 0.00 0.00 34.83 37.04 1d2b s MET 66 CO -0.07 -0.46 0.93 0.93 -0.01 0.00 0.00 175.02 176.34 1d2b h GLU 67 N 2.52 -0.45 -1.40 2.03 3.07 -2.00 -3.32 114.58 115.02 1d2b h GLU 67 Ca -0.33 0.03 -0.68 0.00 -0.50 0.00 0.00 59.36 57.88 1d2b h GLU 67 Cb 1.25 0.10 -0.32 0.00 -0.84 0.00 0.00 28.75 28.94 1d2b h GLU 67 CO 0.48 -0.30 0.49 0.43 -1.40 0.00 0.00 179.01 178.70 1d2b n SER 68 N -3.61 6.85 -5.00 1.42 7.64 -1.26 -5.00 113.62 114.66 1d2b n SER 68 Ca -0.06 -3.79 -0.18 0.00 1.01 0.00 0.00 58.87 55.85 1d2b n SER 68 Cb 0.19 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 62.55 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1d2b s VAL 69 N -4.99 2.87 -1.11 0.44 0.11 -1.25 -4.65 120.40 111.83 1d2b s VAL 69 Ca 0.56 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.56 1d2b s VAL 69 Cb 0.46 -2.93 0.27 0.00 -1.53 0.00 0.00 36.38 32.65 1d2b s VAL 69 CO -0.18 0.00 1.12 0.00 -3.33 0.00 0.00 175.10 172.71 1d2b n GLY 71 N 2.88 0.25 2.77 0.00 0.00 -1.25 -4.23 105.19 105.61 1d2b n GLY 71 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 1.75 -0.97 -0.53 1.61 5.04 -1.26 -2.74 117.35 120.24 1d2b s TYR 72 Ca 0.00 -0.23 -0.27 0.00 -2.44 0.00 0.00 57.07 54.13 1d2b s TYR 72 Cb 0.00 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.48 1d2b s TYR 72 CO 0.00 -0.74 1.89 -0.06 -1.34 0.00 0.00 175.55 175.29 1d2b s PHE 73 N 1.14 1.65 -0.42 4.97 0.40 -1.26 -4.92 117.98 119.54 1d2b s PHE 73 Ca 0.24 0.82 -0.13 0.00 -0.60 0.00 0.00 56.93 57.26 1d2b s PHE 73 Cb 0.05 -4.06 0.05 0.00 0.51 0.00 0.00 43.02 39.58 1d2b s PHE 73 CO -0.09 -2.49 0.30 -1.58 0.70 0.00 0.00 175.22 172.07 1d2b s HIS 74 N 8.76 3.26 -0.48 0.36 5.65 -1.26 -4.95 115.29 126.63 1d2b s HIS 74 Ca 0.73 -0.97 0.05 0.00 0.25 0.00 0.00 55.06 55.11 1d2b s HIS 74 Cb -0.16 -2.82 0.40 0.00 -1.18 0.00 0.00 32.58 28.83 1d2b s HIS 74 CO 0.25 -0.72 1.10 0.54 -0.65 0.00 0.00 174.74 175.25 1d2b n ARG 75 N 5.09 3.39 -3.68 2.88 3.00 -1.26 -5.02 116.66 121.05 1d2b n ARG 75 Ca -0.11 -4.56 -0.38 0.00 -0.01 0.00 0.00 57.85 52.78 1d2b n ARG 75 Cb 0.45 -2.25 -0.12 0.00 0.00 0.00 0.00 32.46 30.54 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 -3.47 5.43 0.02 0.55 0.01 -1.26 -4.98 113.70 110.01 1d2b s SER 76 Ca 0.48 -0.66 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 1d2b s SER 76 Cb 0.38 -1.96 -0.17 0.00 0.21 0.00 0.00 66.02 64.48 1d2b s SER 76 CO -0.18 -0.22 1.32 -0.74 0.41 0.00 0.00 173.24 173.82 1d2b h HIS 77 N 8.32 -0.46 -2.58 2.43 2.76 -1.99 -3.42 115.15 120.22 1d2b h HIS 77 Ca -0.31 -0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 57.28 1d2b h HIS 77 Cb 1.13 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 1d2b h HIS 77 CO 0.62 -0.15 1.30 1.21 -1.30 0.00 0.00 177.93 179.61 1d2b s ASN 78 N -4.94 5.82 0.17 3.26 3.04 -1.26 -4.84 114.94 116.18 1d2b s ASN 78 Ca -0.15 1.28 0.24 0.00 0.04 0.00 0.00 52.86 54.27 1d2b s ASN 78 Cb 0.03 -2.52 0.37 0.00 -1.54 0.00 0.00 41.25 37.58 1d2b s ASN 78 CO 0.56 -1.77 1.37 0.03 -3.04 0.00 0.00 177.10 174.24 1d2b h ARG 79 N 13.19 0.00 -0.01 0.43 3.08 -1.81 -3.28 114.38 125.97 1d2b h ARG 79 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1d2b h ARG 79 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1d2b h ARG 79 CO 1.04 0.00 -0.46 0.43 -1.07 0.00 0.00 179.97 179.91 1d2b n SER 80 N -2.28 1.88 -4.70 7.04 7.64 -1.26 -3.63 113.62 118.32 1d2b n SER 80 Ca 0.03 -1.44 -0.42 0.00 1.01 0.00 0.00 58.87 58.05 1d2b n SER 80 Cb 0.46 0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1d2b s GLU 81 N -2.33 4.38 0.28 1.43 2.12 -1.24 -4.98 118.70 118.36 1d2b s GLU 81 Ca 0.17 1.72 -0.29 0.00 0.36 0.00 0.00 54.97 56.93 1d2b s GLU 81 Cb 0.16 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.97 1d2b s GLU 81 CO 0.53 -0.39 1.07 -1.21 -0.54 0.00 0.00 175.26 174.73 1d2b s GLU 82 N 1.84 4.63 0.48 4.30 2.02 -1.26 -4.51 118.70 126.20 1d2b s GLU 82 Ca 0.57 1.73 0.05 0.00 0.02 0.00 0.00 54.97 57.34 1d2b s GLU 82 Cb -0.27 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1d2b s GLU 82 CO 0.25 0.23 0.15 -0.06 0.02 0.00 0.00 175.26 175.85 1d2b s PHE 83 N -1.21 2.08 -0.09 1.61 0.40 0.72 -3.32 117.98 118.16 1d2b s PHE 83 Ca 0.45 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1d2b s PHE 83 Cb -0.30 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1d2b s PHE 83 CO 0.38 0.07 -0.21 -1.17 0.70 0.00 0.00 175.22 174.99 1d2b s LEU 84 N -3.97 2.00 -0.19 -0.37 1.98 0.25 -0.31 118.68 118.06 1d2b s LEU 84 Ca 0.26 -0.51 -0.03 0.00 -2.89 0.00 0.00 54.13 50.96 1d2b s LEU 84 Cb 0.02 -1.29 0.06 0.00 0.66 0.00 0.00 46.19 45.64 1d2b s LEU 84 CO 0.14 0.13 0.04 -0.63 -1.89 0.00 0.00 176.35 174.14 1d2b s ILE 85 N 0.43 0.48 -0.27 6.68 1.01 -0.00 -1.98 121.20 127.54 1d2b s ILE 85 Ca -0.18 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1d2b s ILE 85 Cb -0.17 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1d2b s ILE 85 CO 0.08 -0.21 0.29 0.00 0.00 0.00 0.00 174.94 175.09 1d2b s ALA 86 N 1.88 3.55 -0.19 9.38 0.00 -0.59 -0.53 121.76 135.26 1d2b s ALA 86 Ca -0.01 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1d2b s ALA 86 Cb -0.17 -2.59 0.11 0.00 0.00 0.00 0.00 23.12 20.48 1d2b s ALA 86 CO -0.08 -0.57 0.95 0.20 0.00 0.00 0.00 175.76 176.26 1d2b s GLY 87 N 1.62 -0.29 0.85 0.00 0.00 0.63 -4.33 107.32 105.80 1d2b s GLY 87 Ca 0.11 2.14 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 1d2b s GLY 87 CO 0.10 1.32 1.18 0.54 0.00 0.00 0.00 173.10 176.24 1d2b s LYS 88 N -0.61 1.25 -0.20 2.90 1.02 -1.25 0.16 119.74 123.01 1d2b s LYS 88 Ca -0.01 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1d2b s LYS 88 Cb -0.02 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1d2b s LYS 88 CO 0.00 -1.93 -0.12 -0.51 -0.92 0.00 0.00 175.35 171.88 1d2b s LEU 89 N -5.58 2.53 -0.33 3.17 1.43 -1.26 -2.43 118.68 116.21 1d2b s LEU 89 Ca 0.69 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1d2b s LEU 89 Cb -0.06 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1d2b s LEU 89 CO 0.49 -0.00 0.26 -1.10 0.23 0.00 0.00 176.35 176.23 1d2b s GLN 90 N 1.35 3.62 -0.84 1.70 -1.52 0.31 -4.55 119.66 119.73 1d2b s GLN 90 Ca 0.05 -0.51 -0.09 0.00 -1.95 0.00 0.00 55.36 52.86 1d2b s GLN 90 Cb -0.14 -3.77 0.08 0.00 -0.22 0.00 0.00 33.01 28.96 1d2b s GLN 90 CO -0.07 -0.40 0.26 -0.25 -0.25 0.00 0.00 175.29 174.58 1d2b n ASP 91 N 5.16 -1.90 0.00 5.90 8.00 -1.26 -0.56 116.55 131.88 1d2b n ASP 91 Ca -0.12 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1d2b n ASP 91 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d2b n GLY 92 N -0.80 1.59 3.36 0.44 0.00 -1.26 -5.10 105.19 103.42 1d2b n GLY 92 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 2.42 0.62 0.99 2.01 0.28 -5.10 118.68 119.90 1d2b s LEU 93 Ca 0.00 -0.84 -0.15 0.00 0.01 0.00 0.00 54.13 53.14 1d2b s LEU 93 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 46.19 45.22 1d2b s LEU 93 CO 0.00 0.03 1.08 -0.22 1.01 0.00 0.00 176.35 178.25 1d2b s LEU 94 N -2.58 3.45 -0.00 1.79 2.96 -1.25 0.11 118.68 123.15 1d2b s LEU 94 Ca 0.16 1.89 -0.01 0.00 -0.22 0.00 0.00 54.13 55.95 1d2b s LEU 94 Cb -0.07 -4.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.08 1d2b s LEU 94 CO 0.07 -1.35 0.02 -1.00 -1.32 0.00 0.00 176.35 172.77 1d2b s HIS 95 N -2.42 0.02 0.05 5.38 3.76 -1.02 -0.38 115.29 120.69 1d2b s HIS 95 Ca 0.65 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.53 1d2b s HIS 95 Cb -0.18 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.46 1d2b s HIS 95 CO 0.39 -0.06 -0.07 0.96 -0.85 0.00 0.00 174.74 175.11 1d2b s ILE 96 N -0.30 0.52 -0.01 0.60 -0.00 -1.18 -3.90 121.20 116.93 1d2b s ILE 96 Ca -0.03 -1.17 -0.02 0.00 -0.00 0.00 0.00 60.65 59.42 1d2b s ILE 96 Cb -0.02 -0.71 -0.00 0.00 -0.00 0.00 0.00 42.46 41.73 1d2b s ILE 96 CO -0.00 -0.45 0.05 0.42 -0.00 0.00 0.00 174.94 174.95 1d2b s THR 97 N -1.67 0.03 -1.70 8.37 -4.23 -1.11 -4.38 115.64 110.96 1d2b s THR 97 Ca -0.08 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1d2b s THR 97 Cb -0.08 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1d2b s THR 97 CO -0.00 -0.15 0.64 0.35 -0.54 0.00 0.00 174.62 174.92 1d2b n THR 98 N 2.56 0.57 -1.42 3.99 -2.24 -1.19 0.69 114.28 117.24 1d2b n THR 98 Ca -0.16 0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1d2b n THR 98 Cb 0.58 -1.14 0.20 0.00 -2.10 0.00 0.00 70.33 67.87 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s SER 100 N -2.45 3.06 -0.47 0.00 0.01 0.22 -4.76 113.70 109.31 1d2b s SER 100 Ca 0.45 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1d2b s SER 100 Cb 0.41 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.44 1d2b s SER 100 CO 0.01 -0.01 1.36 0.12 0.41 0.00 0.00 173.24 175.12 1d2b s PHE 101 N -2.27 2.45 -0.25 2.43 2.19 -1.26 -4.73 117.98 116.54 1d2b s PHE 101 Ca 0.22 0.62 -0.02 0.00 0.33 0.00 0.00 56.93 58.08 1d2b s PHE 101 Cb -0.05 -4.37 0.13 0.00 -1.31 0.00 0.00 43.02 37.42 1d2b s PHE 101 CO 0.10 -1.84 0.33 0.08 1.83 0.00 0.00 175.22 175.72 1d2b s VAL 102 N 5.41 -0.50 0.32 3.12 1.01 -1.26 -1.55 120.40 126.96 1d2b s VAL 102 Ca 0.56 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1d2b s VAL 102 Cb -0.11 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1d2b s VAL 102 CO 0.30 -0.25 0.77 0.00 0.00 0.00 0.00 175.10 175.92 1d2b s ALA 103 N 2.45 -1.04 -0.02 5.51 0.00 -0.84 -4.97 121.76 122.84 1d2b s ALA 103 Ca 0.10 -0.48 -0.34 0.00 0.00 0.00 0.00 51.96 51.24 1d2b s ALA 103 Cb -0.15 0.76 -0.12 0.00 0.00 0.00 0.00 23.12 23.62 1d2b s ALA 103 CO -0.21 -1.02 1.84 -2.30 0.00 0.00 0.00 175.76 174.07 1d2b n PRO 104 N -0.50 2.28 -0.15 0.00 -0.02 -1.26 0.84 135.00 136.19 1d2b n PRO 104 Ca -0.06 0.83 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1d2b n PRO 104 Cb 0.59 -2.68 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 8.79 -0.47 0.00 6.00 -0.00 -1.73 0.22 115.95 128.76 1d2b h TRP 105 Ca -0.48 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 1d2b h TRP 105 Cb 1.26 0.28 0.00 0.00 -0.00 0.00 0.00 29.16 30.71 1d2b h TRP 105 CO 0.84 -0.28 0.00 0.09 -0.00 0.00 0.00 178.44 179.09 1d2b n ASN 106 N -5.39 0.00 0.00 2.65 3.02 -1.26 -0.06 115.26 114.22 1d2b n ASN 106 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1d2b n ASN 106 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1d2b n SER 107 N 0.53 0.19 -3.86 6.41 2.88 0.07 -5.09 113.62 114.74 1d2b n SER 107 Ca 0.00 -0.53 -0.30 0.00 -1.33 0.00 0.00 58.87 56.71 1d2b n SER 107 Cb 0.00 0.30 0.22 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 -0.59 2.08 -0.29 2.46 1.02 0.92 -5.03 118.68 119.24 1d2b s LEU 108 Ca 0.00 0.27 -0.18 0.00 0.02 0.00 0.00 54.13 54.24 1d2b s LEU 108 Cb 0.00 -2.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 1d2b s LEU 108 CO 0.00 -3.34 0.50 -0.44 0.02 0.00 0.00 176.35 173.09 1d2b s SER 109 N -4.67 6.38 0.39 2.29 0.01 -1.26 -4.89 113.70 111.95 1d2b s SER 109 Ca 0.75 0.32 0.35 0.00 1.31 0.00 0.00 55.95 58.68 1d2b s SER 109 Cb -0.04 -2.27 1.23 0.00 0.21 0.00 0.00 66.02 65.15 1d2b s SER 109 CO 0.54 -0.34 1.13 0.00 0.41 0.00 0.00 173.24 174.98 1d2b n LEU 110 N 5.59 0.02 0.06 2.44 -0.00 -1.26 0.64 117.00 124.50 1d2b n LEU 110 Ca -0.05 0.76 -0.16 0.00 -0.00 0.00 0.00 56.01 56.57 1d2b n LEU 110 Cb 0.50 -0.38 -0.14 0.00 -0.00 0.00 0.00 43.42 43.40 1d2b n LEU 110 CO 0.42 -0.78 -0.32 0.00 -0.00 0.00 0.00 177.39 176.71 1d2b h ALA 111 N 0.78 0.31 -0.01 1.47 0.00 -1.99 -3.01 119.26 116.83 1d2b h ALA 111 Ca 0.68 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1d2b h ALA 111 Cb 2.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.70 1d2b h ALA 111 CO -0.06 1.18 -0.06 0.94 0.00 0.00 0.00 179.25 181.25 1d2b n GLN 112 N -3.42 1.04 0.10 0.00 7.27 2.87 0.17 117.38 125.40 1d2b n GLN 112 Ca -0.16 -0.38 -0.19 0.00 0.07 0.00 0.00 57.00 56.34 1d2b n GLN 112 Cb 1.04 -1.49 -0.15 0.00 2.41 0.00 0.00 30.24 32.05 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 0.93 0.36 0.02 3.69 9.65 0.47 -1.37 114.38 128.13 1d2b h ARG 113 Ca 0.00 -0.61 -0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1d2b h ARG 113 Cb 0.31 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1d2b h ARG 113 CO 0.00 1.26 -0.01 0.07 2.80 0.00 0.00 179.97 184.09 1d2b h ARG 114 N 0.10 -0.03 -0.41 0.20 -0.00 -1.15 -3.31 114.38 109.78 1d2b h ARG 114 Ca -0.23 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.84 1d2b h ARG 114 Cb 2.06 0.01 -0.09 0.00 -0.00 0.00 0.00 29.97 31.94 1d2b h ARG 114 CO 0.21 0.38 -0.24 0.78 -0.00 0.00 0.00 179.97 181.10 1d2b h GLY 115 N -0.99 0.01 1.49 0.08 0.00 0.16 0.95 103.07 104.77 1d2b h GLY 115 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1d2b h GLY 115 CO 0.00 -0.21 0.16 0.69 0.00 0.00 0.00 176.54 177.19 1d2b n PHE 116 N -5.40 0.34 0.03 5.60 3.01 -0.52 0.43 117.46 120.95 1d2b n PHE 116 Ca 0.02 0.18 0.11 0.00 1.01 0.00 0.00 57.45 58.77 1d2b n PHE 116 Cb 0.31 -0.65 -0.12 0.00 -0.01 0.00 0.00 39.48 39.01 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1d2b n THR 117 N -1.83 0.20 0.00 4.37 5.66 0.31 -4.73 114.28 118.26 1d2b n THR 117 Ca -0.01 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1d2b n THR 117 Cb 0.18 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.39 0.02 0.05 1.09 -0.00 0.63 -4.98 118.16 112.58 1d2b n LYS 118 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.14 1d2b n LYS 118 Cb 0.56 -0.50 -0.05 0.00 -0.00 0.00 0.00 35.03 35.04 1d2b n LYS 118 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1d2b h THR 119 N 0.00 1.37 -0.23 0.58 1.35 0.85 -3.38 112.91 113.45 1d2b h THR 119 Ca 0.00 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1d2b h THR 119 Cb 0.01 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1d2b h THR 119 CO 0.00 0.71 0.00 -1.22 -0.25 0.00 0.00 175.52 174.76 1d2b n TYR 120 N -3.79 0.56 -0.06 4.73 4.02 -1.15 0.53 117.16 122.00 1d2b n TYR 120 Ca -0.07 -0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 57.57 1d2b n TYR 120 Cb 0.82 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.98 1d2b n TYR 120 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1d2b h THR 121 N 1.44 0.28 0.00 -0.72 1.35 -1.89 -2.94 112.91 110.44 1d2b h THR 121 Ca 0.00 -1.23 -0.13 0.00 -0.55 0.00 0.00 66.41 64.50 1d2b h THR 121 Cb 0.72 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1d2b h THR 121 CO 0.10 0.10 -1.82 0.52 -0.25 0.00 0.00 175.52 174.16 1d2b n VAL 122 N -4.72 0.71 -0.64 6.82 0.31 -1.25 -4.33 118.33 115.22 1d2b n VAL 122 Ca -0.03 -0.64 0.07 0.00 -0.01 0.00 0.00 64.34 63.72 1d2b n VAL 122 Cb 0.13 -0.34 0.16 0.00 -0.91 0.00 0.00 33.84 32.88 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 1.40 3.74 0.60 2.92 0.00 0.19 -4.75 105.19 109.29 1d2b n GLY 123 Ca -0.12 -0.72 0.47 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.25 0.00 0.00 0.00 0.28 -1.26 -2.87 120.64 112.54 1d2b n GLU 125 Ca 0.42 -0.42 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1d2b n GLU 125 Cb 1.81 -1.63 0.06 0.00 1.43 0.00 0.00 31.44 33.11 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36