#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 4.96 0.08 0.00 -4.23 -1.26 -1.64 115.64 113.55 1d2b s THR 2 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1d2b s THR 2 Cb 0.00 -4.75 0.00 0.00 1.34 0.00 0.00 72.50 69.10 1d2b s THR 2 CO 0.00 -1.44 0.03 0.00 -0.54 0.00 0.00 174.62 172.67 1d2b s VAL 4 N -0.84 4.88 -0.50 0.00 -7.23 -1.26 -4.53 120.40 110.91 1d2b s VAL 4 Ca 0.02 -0.74 -0.43 0.00 -1.81 0.00 0.00 61.98 59.03 1d2b s VAL 4 Cb -0.00 -3.75 -0.19 0.00 0.56 0.00 0.00 36.38 33.00 1d2b s VAL 4 CO 0.02 -0.39 2.16 -2.65 -0.31 0.00 0.00 175.10 173.92 1d2b n PRO 5 N -1.66 0.07 -3.23 4.82 -0.02 -1.26 -4.88 135.00 128.84 1d2b n PRO 5 Ca -0.05 0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1d2b n PRO 5 Cb 0.57 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 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 6.08 4.33 -0.13 0.52 0.04 -1.26 -4.96 135.00 139.61 1d2b s PRO 6 Ca 1.20 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1d2b s PRO 6 Cb -1.45 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 29.62 1d2b s PRO 6 CO 0.64 0.24 0.56 0.72 0.04 0.00 0.00 177.00 179.20 1d2b n HIS 7 N 3.27 0.55 0.41 0.56 8.25 -1.26 -4.49 115.22 122.50 1d2b n HIS 7 Ca -0.06 0.44 0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1d2b n HIS 7 Cb 0.51 -0.85 0.45 0.00 1.12 0.00 0.00 29.99 31.23 1d2b n HIS 7 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1d2b n PRO 8 N 1.25 0.15 -0.05 -0.41 -0.04 -1.26 0.13 135.00 134.78 1d2b n PRO 8 Ca 0.11 0.39 -0.07 0.00 -0.04 0.00 0.00 63.50 63.88 1d2b n PRO 8 Cb -0.01 -1.79 0.10 0.00 -0.04 0.00 0.00 33.50 31.76 1d2b n PRO 8 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1d2b h GLN 9 N 0.00 0.67 0.10 0.54 3.07 -1.87 0.37 115.11 117.99 1d2b h GLN 9 Ca 0.00 -0.29 -0.37 0.00 0.09 0.00 0.00 58.65 58.08 1d2b h GLN 9 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.85 1d2b h GLN 9 CO 0.00 0.89 -2.07 2.41 0.09 0.00 0.00 178.83 180.15 1d2b n THR 10 N -4.08 1.72 0.28 1.86 -1.04 -0.39 -3.97 114.28 108.65 1d2b n THR 10 Ca -0.01 -0.62 0.14 0.00 -2.04 0.00 0.00 64.05 61.53 1d2b n THR 10 Cb 0.46 -1.69 0.86 0.00 -1.82 0.00 0.00 70.33 68.15 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N 0.03 1.65 0.19 2.41 0.00 0.12 0.39 119.26 124.04 1d2b h ALA 11 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1d2b h ALA 11 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1d2b h ALA 11 CO 0.04 -0.05 -0.09 0.35 0.00 0.00 0.00 179.25 179.51 1d2b h PHE 12 N 0.00 -0.23 -0.22 0.00 3.04 -1.08 -3.00 116.94 115.45 1d2b h PHE 12 Ca 0.01 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1d2b h PHE 12 Cb 0.08 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1d2b h PHE 12 CO 0.00 -0.15 0.03 0.00 -2.02 0.00 0.00 178.31 176.18 1d2b h ASN 14 N 0.16 0.46 -3.97 0.00 2.35 -0.42 -3.43 115.58 110.72 1d2b h ASN 14 Ca 0.07 -0.02 -0.49 0.00 -0.55 0.00 0.00 56.30 55.31 1d2b h ASN 14 Cb 0.32 -0.11 0.03 0.00 0.05 0.00 0.00 38.32 38.60 1d2b h ASN 14 CO 0.00 0.34 0.42 -0.55 -1.65 0.00 0.00 177.43 175.99 1d2b s SER 15 N -5.56 6.64 -0.05 5.81 0.15 -1.13 -4.93 113.70 114.63 1d2b s SER 15 Ca -0.13 2.08 0.20 0.00 0.70 0.00 0.00 55.95 58.80 1d2b s SER 15 Cb 0.11 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.49 1d2b s SER 15 CO 0.72 -0.57 1.56 0.47 1.20 0.00 0.00 173.24 176.62 1d2b n ASP 16 N -0.17 4.24 -3.47 5.45 9.92 -1.24 -4.82 116.55 126.45 1d2b n ASP 16 Ca 0.05 -2.19 -0.02 0.00 -0.53 0.00 0.00 54.79 52.11 1d2b n ASP 16 Cb 0.49 -0.51 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.36 -1.07 -0.06 0.64 1.43 0.57 -4.44 118.68 114.38 1d2b s LEU 17 Ca 0.49 1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 1d2b s LEU 17 Cb 0.28 1.96 0.03 0.00 0.03 0.00 0.00 46.19 48.49 1d2b s LEU 17 CO 0.29 -0.24 0.01 -0.69 0.23 0.00 0.00 176.35 175.94 1d2b s VAL 18 N 2.80 0.30 0.00 -1.59 1.01 0.17 0.20 120.40 123.28 1d2b s VAL 18 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1d2b s VAL 18 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1d2b s VAL 18 CO -0.18 0.24 0.00 2.30 0.00 0.00 0.00 175.10 177.46 1d2b n ILE 19 N 5.08 0.00 -4.30 2.22 -0.00 -0.87 0.26 119.36 121.74 1d2b n ILE 19 Ca -0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.47 1d2b n ILE 19 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 39.64 39.99 1d2b n ILE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1d2b s ARG 20 N -1.67 0.86 0.37 6.28 1.70 0.11 -1.19 118.95 125.41 1d2b s ARG 20 Ca 0.00 -0.24 -0.14 0.00 -0.47 0.00 0.00 55.73 54.88 1d2b s ARG 20 Cb 0.00 -0.82 0.04 0.00 -0.57 0.00 0.00 34.95 33.61 1d2b s ARG 20 CO 0.00 0.06 0.73 0.00 -1.08 0.00 0.00 175.30 175.01 1d2b s ALA 21 N 0.33 -0.53 0.08 7.88 0.00 -0.08 0.01 121.76 129.45 1d2b s ALA 21 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1d2b s ALA 21 Cb -0.09 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1d2b s ALA 21 CO 0.00 -0.96 -0.20 0.15 0.00 0.00 0.00 175.76 174.75 1d2b s LYS 22 N -2.59 1.18 -0.25 0.00 1.02 0.13 0.23 119.74 119.46 1d2b s LYS 22 Ca 0.18 -1.07 -0.15 0.00 0.02 0.00 0.00 55.97 54.95 1d2b s LYS 22 Cb -0.04 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 1d2b s LYS 22 CO 0.12 0.33 0.35 -0.06 -0.92 0.00 0.00 175.35 175.18 1d2b s PHE 23 N -1.05 3.29 -0.28 3.18 0.40 -1.26 0.54 117.98 122.80 1d2b s PHE 23 Ca 0.06 0.45 0.18 0.00 -0.60 0.00 0.00 56.93 57.02 1d2b s PHE 23 Cb -0.10 -2.52 0.49 0.00 0.51 0.00 0.00 43.02 41.40 1d2b s PHE 23 CO 0.03 -0.13 1.11 1.33 0.70 0.00 0.00 175.22 178.26 1d2b n VAL 24 N 4.79 1.53 -3.65 -0.44 0.24 -0.72 -4.58 118.33 115.51 1d2b n VAL 24 Ca -0.09 -3.27 -0.04 0.00 -2.04 0.00 0.00 64.34 58.90 1d2b n VAL 24 Cb 0.51 0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.67 -0.34 0.16 7.63 0.00 -0.69 -4.71 107.32 105.70 1d2b s GLY 25 Ca 0.33 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.71 1d2b s GLY 25 CO -0.02 0.17 0.15 -1.08 0.00 0.00 0.00 173.10 172.32 1d2b s THR 26 N -2.97 4.59 -0.18 0.90 -1.32 -1.26 -4.12 115.64 111.27 1d2b s THR 26 Ca 0.10 -1.02 -0.29 0.00 -1.21 0.00 0.00 61.69 59.28 1d2b s THR 26 Cb 0.00 -3.34 -0.02 0.00 -1.51 0.00 0.00 72.50 67.63 1d2b s THR 26 CO -0.03 -0.09 1.40 -2.16 -2.21 0.00 0.00 174.62 171.54 1d2b s PRO 27 N -3.07 4.08 -0.35 7.08 0.04 -1.26 -4.31 135.00 137.20 1d2b s PRO 27 Ca 0.31 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1d2b s PRO 27 Cb -0.10 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.57 1d2b s PRO 27 CO 0.24 -0.92 0.87 -1.83 0.04 0.00 0.00 177.00 175.40 1d2b s GLU 28 N 3.95 3.85 -0.57 4.56 -1.05 -1.02 -4.83 118.70 123.59 1d2b s GLU 28 Ca 0.61 0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 55.88 1d2b s GLU 28 Cb -0.23 -3.79 0.15 0.00 -0.44 0.00 0.00 34.13 29.82 1d2b s GLU 28 CO 0.22 -0.87 0.44 0.08 0.95 0.00 0.00 175.26 176.07 1d2b s VAL 29 N 3.29 4.31 0.65 1.83 1.01 -1.26 -2.37 120.40 127.86 1d2b s VAL 29 Ca 0.36 -2.20 -0.17 0.00 0.00 0.00 0.00 61.98 59.97 1d2b s VAL 29 Cb -0.13 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1d2b s VAL 29 CO 0.17 -0.84 1.17 0.21 0.00 0.00 0.00 175.10 175.81 1d2b s ASN 30 N 2.08 4.92 0.04 3.32 2.47 -1.26 -4.89 114.94 121.63 1d2b s ASN 30 Ca 0.11 2.25 0.28 0.00 0.42 0.00 0.00 52.86 55.91 1d2b s ASN 30 Cb -0.22 -2.58 1.13 0.00 -1.45 0.00 0.00 41.25 38.13 1d2b s ASN 30 CO -0.03 -1.77 1.88 0.00 -3.72 0.00 0.00 177.10 173.47 1d2b n GLN 31 N -2.13 0.05 -2.47 0.43 1.13 -1.26 -3.87 117.38 109.27 1d2b n GLN 31 Ca 0.12 0.05 0.01 0.00 -1.94 0.00 0.00 57.00 55.25 1d2b n GLN 31 Cb 0.51 -1.56 0.04 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.65 0.88 -0.10 5.09 -1.04 -1.26 -4.84 114.28 111.36 1d2b n THR 32 Ca 0.07 -2.32 -0.21 0.00 -2.04 0.00 0.00 64.05 59.55 1d2b n THR 32 Cb 0.35 1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 70.00 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 -0.35 1.20 -0.13 12.58 5.66 -1.25 -4.98 114.28 127.01 1d2b n THR 33 Ca 0.05 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1d2b n THR 33 Cb 0.89 -1.84 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 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 -3.98 0.00 -4.07 1.09 4.77 -1.26 -4.91 117.00 108.64 1d2b n LEU 34 Ca -0.37 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 1d2b n LEU 34 Cb 0.74 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1d2b n LEU 34 CO 0.04 0.00 -0.12 -0.72 -1.33 0.00 0.00 177.39 175.26 1d2b s TYR 35 N -2.57 0.68 0.43 -1.77 1.13 -1.26 0.72 117.35 114.72 1d2b s TYR 35 Ca 0.00 -1.02 0.03 0.00 -1.41 0.00 0.00 57.07 54.67 1d2b s TYR 35 Cb 0.00 -0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1d2b s TYR 35 CO 0.00 -0.68 0.10 1.04 -2.51 0.00 0.00 175.55 173.51 1d2b n GLN 36 N -0.21 0.65 -3.53 -3.49 6.02 0.56 -4.06 117.38 113.32 1d2b n GLN 36 Ca -0.04 -3.46 -0.23 0.00 -0.01 0.00 0.00 57.00 53.26 1d2b n GLN 36 Cb 0.64 1.59 -0.14 0.00 1.02 0.00 0.00 30.24 33.35 1d2b n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1d2b s ARG 37 N -3.60 0.17 0.19 -1.09 0.52 -1.00 -2.67 118.95 111.47 1d2b s ARG 37 Ca 0.15 -0.11 -0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1d2b s ARG 37 Cb 0.01 -1.32 -0.06 0.00 0.52 0.00 0.00 34.95 34.09 1d2b s ARG 37 CO 0.10 -0.80 0.46 0.71 0.02 0.00 0.00 175.30 175.80 1d2b s TYR 38 N 2.22 3.45 -0.14 -0.53 1.51 -0.83 -2.43 117.35 120.60 1d2b s TYR 38 Ca 0.06 0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 56.76 1d2b s TYR 38 Cb -0.16 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1d2b s TYR 38 CO -0.20 0.35 0.13 -2.00 -1.11 0.00 0.00 175.55 172.72 1d2b s GLU 39 N -2.75 3.66 -0.02 -0.62 2.56 -1.26 -1.54 118.70 118.73 1d2b s GLU 39 Ca 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 54.97 55.23 1d2b s GLU 39 Cb -0.12 -3.24 0.01 0.00 2.00 0.00 0.00 34.13 32.78 1d2b s GLU 39 CO 0.23 0.62 0.05 0.96 -0.56 0.00 0.00 175.26 176.55 1d2b s ILE 40 N -0.57 -0.02 -1.17 -3.70 -4.36 -0.77 -1.70 121.20 108.92 1d2b s ILE 40 Ca 0.12 0.07 -0.21 0.00 -0.26 0.00 0.00 60.65 60.37 1d2b s ILE 40 Cb -0.12 -0.08 0.00 0.00 1.25 0.00 0.00 42.46 43.51 1d2b s ILE 40 CO 0.02 0.03 1.78 -0.54 0.24 0.00 0.00 174.94 176.47 1d2b s LYS 41 N 0.38 3.26 0.21 0.37 -0.14 2.12 -4.74 119.74 121.19 1d2b s LYS 41 Ca -0.03 -1.37 -0.32 0.00 -1.36 0.00 0.00 55.97 52.89 1d2b s LYS 41 Cb -0.04 -5.35 -0.12 0.00 -1.68 0.00 0.00 37.83 30.63 1d2b s LYS 41 CO -0.01 -2.95 1.73 1.41 -0.76 0.00 0.00 175.35 174.76 1d2b s MET 42 N 5.43 4.12 -0.06 1.68 -2.45 -1.26 0.20 119.30 126.96 1d2b s MET 42 Ca 0.59 2.62 -0.04 0.00 -1.25 0.00 0.00 55.69 57.62 1d2b s MET 42 Cb 0.00 -3.07 -0.01 0.00 1.25 0.00 0.00 34.83 33.00 1d2b s MET 42 CO 0.06 -0.76 -0.07 1.15 1.05 0.00 0.00 175.02 176.45 1d2b h THR 43 N 3.79 0.00 -2.96 10.11 2.02 -0.74 -3.46 112.91 121.67 1d2b h THR 43 Ca -0.43 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.18 1d2b h THR 43 Cb 1.20 0.00 -0.23 0.00 -1.74 0.00 0.00 68.15 67.38 1d2b h THR 43 CO 0.96 0.00 -0.31 -0.75 0.37 0.00 0.00 175.52 175.78 1d2b s LYS 44 N -1.50 0.46 0.06 6.66 2.20 -0.70 -5.01 119.74 121.91 1d2b s LYS 44 Ca -0.06 0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.65 1d2b s LYS 44 Cb 0.01 0.22 -0.06 0.00 -1.51 0.00 0.00 37.83 36.48 1d2b s LYS 44 CO 0.08 -0.08 0.54 0.00 -0.36 0.00 0.00 175.35 175.53 1d2b s MET 45 N -0.23 4.16 -0.23 4.03 0.23 -1.26 0.09 119.30 126.08 1d2b s MET 45 Ca -0.04 0.68 -0.06 0.00 -1.03 0.00 0.00 55.69 55.24 1d2b s MET 45 Cb -0.03 -3.24 -0.12 0.00 -1.53 0.00 0.00 34.83 29.91 1d2b s MET 45 CO 0.01 0.64 -0.26 0.66 -2.03 0.00 0.00 175.02 174.05 1d2b n TYR 46 N 1.77 0.00 -4.10 3.16 4.02 0.35 -4.90 117.16 117.46 1d2b n TYR 46 Ca -0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.55 1d2b n TYR 46 Cb 0.51 -0.84 -0.17 0.00 -0.02 0.00 0.00 39.34 38.83 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 -2.43 1.17 0.00 -0.72 2.36 0.73 -4.81 119.74 116.04 1d2b s LYS 47 Ca -0.31 -0.17 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 1d2b s LYS 47 Cb 0.11 -1.20 0.00 0.00 -1.05 0.00 0.00 37.83 35.68 1d2b s LYS 47 CO 0.45 -0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.60 1d2b n GLY 48 N 4.47 -0.53 0.30 5.54 0.00 -1.26 -0.66 105.19 113.05 1d2b n GLY 48 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.49 -0.25 1.61 -1.00 -1.88 2.44 116.94 118.34 1d2b h PHE 49 Ca 0.00 0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1d2b h PHE 49 Cb 0.00 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1d2b h PHE 49 CO 0.00 -0.05 -0.14 -0.56 -1.61 0.00 0.00 178.31 175.95 1d2b h GLN 50 N 0.36 0.43 0.03 1.51 3.07 -2.00 -2.44 115.11 116.07 1d2b h GLN 50 Ca 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 59.11 1d2b h GLN 50 Cb 0.88 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.39 1d2b h GLN 50 CO -0.51 0.57 -0.01 0.00 0.09 0.00 0.00 178.83 178.97 1d2b h ALA 51 N 1.45 -0.03 -3.00 0.06 0.00 -1.12 -3.49 119.26 113.13 1d2b h ALA 51 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1d2b h ALA 51 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d2b h ALA 51 CO 0.03 -0.13 0.00 1.47 0.00 0.00 0.00 179.25 180.62 1d2b n LEU 52 N -4.75 0.00 0.00 0.00 -0.00 0.79 -4.70 117.00 108.34 1d2b n LEU 52 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1d2b n LEU 52 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1d2b n LEU 52 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1d2b n GLY 53 N 0.00 0.81 0.15 1.47 0.00 -1.25 -4.41 105.19 101.96 1d2b n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.04 0.00 1.61 -0.08 -1.26 -4.89 116.55 113.96 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1d2b n ASP 54 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d2b n ALA 55 N -2.15 1.95 -2.19 -1.67 0.00 -1.26 -4.80 120.51 110.39 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 0.28 0.25 0.02 0.00 0.00 0.00 0.00 19.45 20.01 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b n ALA 56 N -1.96 5.40 -1.70 0.00 0.00 -1.26 -5.01 120.51 115.99 1d2b n ALA 56 Ca 0.00 -4.11 -0.44 0.00 0.00 0.00 0.00 53.44 48.90 1d2b n ALA 56 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1d2b n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d2b n ASP 57 N -0.57 3.58 -4.56 0.00 2.03 -1.26 -4.52 116.55 111.24 1d2b n ASP 57 Ca 0.44 1.08 -0.39 0.00 0.52 0.00 0.00 54.79 56.45 1d2b n ASP 57 Cb 0.66 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.51 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 0.87 3.75 -0.28 5.18 1.09 -1.26 -4.74 121.20 125.80 1d2b s ILE 58 Ca 0.75 -0.21 0.20 0.00 -1.10 0.00 0.00 60.65 60.29 1d2b s ILE 58 Cb -0.58 -4.79 -0.29 0.00 -1.06 0.00 0.00 42.46 35.75 1d2b s ILE 58 CO 0.37 -1.71 0.55 0.54 -0.10 0.00 0.00 174.94 174.59 1d2b n ARG 59 N 9.09 0.59 -3.88 2.79 1.74 -1.26 -4.58 116.66 121.16 1d2b n ARG 59 Ca 0.22 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 1d2b n ARG 59 Cb 0.50 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.25 0.00 -0.21 -1.55 0.40 -1.26 -1.85 117.98 110.27 1d2b s PHE 60 Ca -0.03 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1d2b s PHE 60 Cb 0.13 -0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.65 1d2b s PHE 60 CO 0.83 -0.06 -0.10 0.14 0.70 0.00 0.00 175.22 176.72 1d2b s VAL 61 N -0.27 2.85 -0.48 -0.44 -7.23 -0.59 -4.15 120.40 110.10 1d2b s VAL 61 Ca -0.03 -0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 1d2b s VAL 61 Cb -0.02 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.71 1d2b s VAL 61 CO -0.00 0.46 0.48 -0.31 -0.31 0.00 0.00 175.10 175.43 1d2b s TYR 62 N 1.40 3.16 -0.10 2.82 1.51 -0.11 -1.96 117.35 124.07 1d2b s TYR 62 Ca 0.05 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1d2b s TYR 62 Cb -0.14 -3.27 -0.03 0.00 -0.11 0.00 0.00 41.96 38.42 1d2b s TYR 62 CO -0.07 -0.87 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.34 1d2b s THR 63 N 2.06 3.58 0.26 -0.71 -1.32 -1.09 -3.13 115.64 115.29 1d2b s THR 63 Ca 0.09 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 1d2b s THR 63 Cb -0.22 -2.50 -0.13 0.00 -1.51 0.00 0.00 72.50 68.14 1d2b s THR 63 CO 0.09 0.56 1.31 -2.65 -2.21 0.00 0.00 174.62 171.72 1d2b n PRO 64 N 2.81 1.88 -3.32 7.08 -0.02 -1.25 0.21 135.00 142.39 1d2b n PRO 64 Ca -0.18 0.67 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 1d2b n PRO 64 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b n ALA 65 N 1.31 4.27 -3.47 3.55 0.00 3.52 -4.11 120.51 125.57 1d2b n ALA 65 Ca 0.10 -4.67 -0.23 0.00 0.00 0.00 0.00 53.44 48.64 1d2b n ALA 65 Cb 0.32 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.18 1d2b n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1d2b s MET 66 N -1.30 0.27 0.00 0.00 0.00 -1.26 -4.37 119.30 112.64 1d2b s MET 66 Ca 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 55.69 55.61 1d2b s MET 66 Cb -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 34.83 33.81 1d2b s MET 66 CO -0.07 -1.04 0.00 0.39 0.00 0.00 0.00 175.02 174.30 1d2b n GLU 67 N 5.21 0.00 -2.53 4.11 -0.58 -1.26 0.14 120.64 125.73 1d2b n GLU 67 Ca -0.03 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.32 1d2b n GLU 67 Cb 0.44 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.33 1d2b n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1d2b n SER 68 N 0.10 7.05 -4.90 1.62 3.41 -1.26 -5.00 113.62 114.65 1d2b n SER 68 Ca 0.00 -3.72 -0.21 0.00 -0.26 0.00 0.00 58.87 54.68 1d2b n SER 68 Cb 0.00 -1.07 0.09 0.00 -0.26 0.00 0.00 64.21 62.96 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1d2b s VAL 69 N -4.52 2.01 -1.17 -3.33 0.11 0.38 -4.81 120.40 109.06 1d2b s VAL 69 Ca 0.43 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 58.50 1d2b s VAL 69 Cb 0.25 -2.13 0.23 0.00 -1.53 0.00 0.00 36.38 33.19 1d2b s VAL 69 CO -0.19 0.00 1.41 0.00 -3.33 0.00 0.00 175.10 173.00 1d2b n GLY 71 N 3.00 0.33 2.81 0.00 0.00 -1.26 -4.21 105.19 105.86 1d2b n GLY 71 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 1.48 -0.97 -0.58 1.61 5.04 -1.26 -2.72 117.35 119.95 1d2b s TYR 72 Ca 0.00 -0.15 -0.27 0.00 -2.44 0.00 0.00 57.07 54.21 1d2b s TYR 72 Cb 0.00 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1d2b s TYR 72 CO 0.00 -0.72 1.89 -0.06 -1.34 0.00 0.00 175.55 175.31 1d2b s PHE 73 N 1.29 1.64 -0.40 4.97 0.40 -1.26 -4.92 117.98 119.70 1d2b s PHE 73 Ca 0.22 0.82 -0.13 0.00 -0.60 0.00 0.00 56.93 57.24 1d2b s PHE 73 Cb 0.04 -4.06 0.03 0.00 0.51 0.00 0.00 43.02 39.53 1d2b s PHE 73 CO -0.09 -2.36 0.27 -1.58 0.70 0.00 0.00 175.22 172.15 1d2b s HIS 74 N 9.08 3.24 -0.43 0.36 5.65 -1.26 -4.95 115.29 126.99 1d2b s HIS 74 Ca 0.70 -0.76 0.10 0.00 0.25 0.00 0.00 55.06 55.35 1d2b s HIS 74 Cb -0.14 -2.56 0.40 0.00 -1.18 0.00 0.00 32.58 29.10 1d2b s HIS 74 CO 0.22 -0.63 0.94 0.54 -0.65 0.00 0.00 174.74 175.17 1d2b n ARG 75 N 5.10 2.22 -3.68 2.88 1.74 -1.26 -5.04 116.66 118.61 1d2b n ARG 75 Ca -0.11 -4.00 -0.39 0.00 -0.77 0.00 0.00 57.85 52.57 1d2b n ARG 75 Cb 0.46 -1.86 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1d2b s SER 76 N -3.16 5.47 0.12 0.55 0.01 -1.26 -4.98 113.70 110.45 1d2b s SER 76 Ca 0.41 -1.27 -0.25 0.00 1.31 0.00 0.00 55.95 56.15 1d2b s SER 76 Cb 0.38 -1.93 -0.06 0.00 0.21 0.00 0.00 66.02 64.62 1d2b s SER 76 CO -0.09 -0.41 1.66 0.45 0.41 0.00 0.00 173.24 175.26 1d2b h HIS 77 N 8.30 -0.51 -2.34 2.43 -0.00 -2.01 -3.39 115.15 117.64 1d2b h HIS 77 Ca -0.23 0.02 -0.55 0.00 -0.00 0.00 0.00 60.37 59.61 1d2b h HIS 77 Cb 1.08 0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 1d2b h HIS 77 CO 0.59 -0.28 1.35 1.21 -0.00 0.00 0.00 177.93 180.81 1d2b s ASN 78 N -4.95 5.56 0.18 2.45 3.04 -1.26 -4.83 114.94 115.13 1d2b s ASN 78 Ca -0.15 1.10 0.25 0.00 0.04 0.00 0.00 52.86 54.11 1d2b s ASN 78 Cb 0.09 -2.52 0.65 0.00 -1.54 0.00 0.00 41.25 37.92 1d2b s ASN 78 CO 0.66 -2.01 1.62 -2.11 -3.04 0.00 0.00 177.10 172.22 1d2b n ARG 79 N 8.70 0.27 -0.09 0.43 1.85 -1.26 -2.85 116.66 123.71 1d2b n ARG 79 Ca 0.24 0.17 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 1d2b n ARG 79 Cb 0.49 -1.76 0.32 0.00 -1.05 0.00 0.00 32.46 30.45 1d2b n ARG 79 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1d2b n SER 80 N -2.21 2.30 -4.70 2.89 7.64 -1.26 -4.04 113.62 114.24 1d2b n SER 80 Ca 0.05 -1.80 -0.41 0.00 1.01 0.00 0.00 58.87 57.72 1d2b n SER 80 Cb 0.43 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.76 4.46 1.06 1.43 2.56 -1.13 -5.03 118.70 120.29 1d2b s GLU 81 Ca 0.34 1.22 -0.13 0.00 0.00 0.00 0.00 54.97 56.40 1d2b s GLU 81 Cb 0.20 -3.49 0.22 0.00 2.00 0.00 0.00 34.13 33.06 1d2b s GLU 81 CO 0.29 -0.12 1.07 -1.21 -0.56 0.00 0.00 175.26 174.73 1d2b s GLU 82 N 1.36 -0.05 0.33 4.30 2.02 -1.26 -4.34 118.70 121.06 1d2b s GLU 82 Ca 0.45 0.56 -0.15 0.00 0.02 0.00 0.00 54.97 55.85 1d2b s GLU 82 Cb -0.19 -1.68 0.03 0.00 0.10 0.00 0.00 34.13 32.39 1d2b s GLU 82 CO 0.21 -3.07 0.68 -0.06 0.02 0.00 0.00 175.26 173.04 1d2b s PHE 83 N -2.84 0.19 -0.13 1.61 0.08 0.63 -4.41 117.98 113.11 1d2b s PHE 83 Ca 0.66 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1d2b s PHE 83 Cb -0.20 0.59 0.02 0.00 -0.57 0.00 0.00 43.02 42.85 1d2b s PHE 83 CO 0.60 -1.33 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.07 1d2b s LEU 84 N -3.04 1.65 -0.28 -0.37 1.98 0.80 -0.90 118.68 118.52 1d2b s LEU 84 Ca 0.17 -0.44 0.03 0.00 -2.89 0.00 0.00 54.13 50.99 1d2b s LEU 84 Cb -0.04 -1.11 0.07 0.00 0.66 0.00 0.00 46.19 45.77 1d2b s LEU 84 CO 0.11 -0.03 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.87 1d2b s ILE 85 N 1.31 2.02 -0.37 6.68 1.01 -0.33 -1.88 121.20 129.64 1d2b s ILE 85 Ca 0.00 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.70 1d2b s ILE 85 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1d2b s ILE 85 CO -0.07 -0.25 0.51 0.00 0.00 0.00 0.00 174.94 175.13 1d2b s ALA 86 N 1.12 3.46 -0.27 9.38 0.00 0.26 -2.04 121.76 133.66 1d2b s ALA 86 Ca -0.01 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 1d2b s ALA 86 Cb -0.19 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 19.97 1d2b s ALA 86 CO -0.07 -1.30 0.77 0.20 0.00 0.00 0.00 175.76 175.36 1d2b s GLY 87 N 1.79 -0.48 1.01 0.00 0.00 0.54 -4.17 107.32 106.01 1d2b s GLY 87 Ca 0.18 2.22 -0.16 0.00 0.00 0.00 0.00 44.72 46.96 1d2b s GLY 87 CO 0.14 1.88 1.23 0.54 0.00 0.00 0.00 173.10 176.89 1d2b s LYS 88 N 0.57 0.33 0.03 2.90 1.02 -1.20 0.21 119.74 123.59 1d2b s LYS 88 Ca -0.01 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.83 1d2b s LYS 88 Cb -0.05 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1d2b s LYS 88 CO -0.04 -2.66 -0.00 -0.51 -0.92 0.00 0.00 175.35 171.22 1d2b s LEU 89 N -6.16 3.47 -0.21 3.17 1.43 -1.26 -0.93 118.68 118.18 1d2b s LEU 89 Ca 0.71 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1d2b s LEU 89 Cb -0.08 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.15 1d2b s LEU 89 CO 0.54 0.25 -0.01 -1.10 0.23 0.00 0.00 176.35 176.25 1d2b s GLN 90 N -1.77 1.15 -0.80 1.70 1.11 0.21 -4.83 119.66 116.43 1d2b s GLN 90 Ca 0.21 -0.71 -0.07 0.00 0.01 0.00 0.00 55.36 54.80 1d2b s GLN 90 Cb -0.12 -2.35 0.07 0.00 -1.01 0.00 0.00 33.01 29.61 1d2b s GLN 90 CO 0.12 -0.62 0.24 -0.25 0.01 0.00 0.00 175.29 174.79 1d2b n ASP 91 N 4.86 -2.02 0.00 5.90 8.00 -1.26 -1.03 116.55 131.00 1d2b n ASP 91 Ca -0.10 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1d2b n ASP 91 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 41.12 39.78 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 -0.79 0.94 3.30 0.44 0.00 -1.26 -5.11 105.19 102.71 1d2b n GLY 92 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.40 0.64 0.99 2.01 -0.20 -5.04 118.68 119.47 1d2b s LEU 93 Ca 0.00 -0.81 -0.14 0.00 0.01 0.00 0.00 54.13 53.19 1d2b s LEU 93 Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 46.19 45.39 1d2b s LEU 93 CO 0.00 -0.03 1.07 -0.22 1.01 0.00 0.00 176.35 178.19 1d2b s LEU 94 N -2.43 3.37 -0.01 1.79 2.96 -1.26 0.66 118.68 123.76 1d2b s LEU 94 Ca 0.12 1.83 -0.02 0.00 -0.22 0.00 0.00 54.13 55.84 1d2b s LEU 94 Cb -0.07 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.09 1d2b s LEU 94 CO 0.05 -1.40 0.05 -1.00 -1.32 0.00 0.00 176.35 172.73 1d2b s HIS 95 N -2.57 0.01 0.05 5.38 3.76 -0.11 -0.94 115.29 120.87 1d2b s HIS 95 Ca 0.63 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.55 1d2b s HIS 95 Cb -0.17 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 1d2b s HIS 95 CO 0.43 -0.09 -0.07 0.96 -0.85 0.00 0.00 174.74 175.12 1d2b s ILE 96 N -0.40 0.50 -0.02 0.60 -0.00 -1.19 -3.26 121.20 117.43 1d2b s ILE 96 Ca -0.05 -1.24 -0.08 0.00 -0.00 0.00 0.00 60.65 59.29 1d2b s ILE 96 Cb -0.03 -0.79 0.01 0.00 -0.00 0.00 0.00 42.46 41.65 1d2b s ILE 96 CO 0.00 -0.51 0.17 0.42 -0.00 0.00 0.00 174.94 175.02 1d2b s THR 97 N -1.90 0.05 -0.15 8.37 -4.23 -1.10 -4.38 115.64 112.31 1d2b s THR 97 Ca -0.06 -0.43 0.14 0.00 -1.18 0.00 0.00 61.69 60.16 1d2b s THR 97 Cb -0.07 -0.39 0.14 0.00 1.34 0.00 0.00 72.50 73.53 1d2b s THR 97 CO -0.01 -0.24 1.37 0.35 -0.54 0.00 0.00 174.62 175.55 1d2b n THR 98 N 1.98 0.87 -1.35 3.99 -2.24 -1.19 0.12 114.28 116.46 1d2b n THR 98 Ca -0.19 0.71 0.01 0.00 -2.27 0.00 0.00 64.05 62.31 1d2b n THR 98 Cb 0.57 -1.71 0.21 0.00 -2.10 0.00 0.00 70.33 67.29 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 -2.53 3.93 -0.44 0.00 0.01 0.33 -4.72 113.70 110.28 1d2b s SER 100 Ca 0.42 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 1d2b s SER 100 Cb 0.38 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1d2b s SER 100 CO 0.01 0.18 2.04 0.12 0.41 0.00 0.00 173.24 176.00 1d2b s PHE 101 N -1.14 1.47 -0.24 2.43 2.19 -1.26 -4.76 117.98 116.67 1d2b s PHE 101 Ca 0.18 0.91 -0.02 0.00 0.33 0.00 0.00 56.93 58.33 1d2b s PHE 101 Cb -0.11 -3.94 0.12 0.00 -1.31 0.00 0.00 43.02 37.78 1d2b s PHE 101 CO 0.10 -2.81 0.29 0.08 1.83 0.00 0.00 175.22 174.71 1d2b s VAL 102 N 9.18 -0.42 0.28 3.12 1.01 -1.26 -0.57 120.40 131.73 1d2b s VAL 102 Ca 0.84 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1d2b s VAL 102 Cb -0.20 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1d2b s VAL 102 CO 0.28 -0.27 0.74 0.00 0.00 0.00 0.00 175.10 175.85 1d2b s ALA 103 N 2.39 -1.23 -0.00 5.51 0.00 -0.79 -5.00 121.76 122.65 1d2b s ALA 103 Ca 0.09 -0.30 -0.33 0.00 0.00 0.00 0.00 51.96 51.42 1d2b s ALA 103 Cb -0.15 0.82 -0.12 0.00 0.00 0.00 0.00 23.12 23.68 1d2b s ALA 103 CO -0.20 -1.04 1.83 -2.30 0.00 0.00 0.00 175.76 174.05 1d2b n PRO 104 N -0.47 2.33 -0.19 0.00 -0.02 -1.26 -0.14 135.00 135.26 1d2b n PRO 104 Ca -0.04 0.85 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1d2b n PRO 104 Cb 0.59 -2.70 0.04 0.00 -0.02 0.00 0.00 33.50 31.41 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 8.66 -0.49 0.00 6.00 2.91 -1.77 0.81 115.95 132.07 1d2b h TRP 105 Ca -0.48 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.60 1d2b h TRP 105 Cb 1.26 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.21 1d2b h TRP 105 CO 0.83 -0.30 0.61 -0.91 -1.03 0.00 0.00 178.44 177.64 1d2b h ASN 106 N -0.06 0.00 0.15 2.65 2.35 -1.89 1.49 115.58 120.26 1d2b h ASN 106 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1d2b h ASN 106 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1d2b h ASN 106 CO -0.61 0.00 -1.08 -1.20 -1.65 0.00 0.00 177.43 172.89 1d2b n SER 107 N -2.22 0.73 -4.70 5.81 7.64 0.28 -4.98 113.62 116.18 1d2b n SER 107 Ca -0.01 -0.62 -0.29 0.00 1.01 0.00 0.00 58.87 58.96 1d2b n SER 107 Cb 0.62 1.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.98 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1d2b s LEU 108 N -3.38 1.83 -0.39 -3.43 1.02 0.51 -4.99 118.68 109.85 1d2b s LEU 108 Ca 0.05 1.26 -0.25 0.00 0.02 0.00 0.00 54.13 55.22 1d2b s LEU 108 Cb 0.16 -3.53 0.02 0.00 0.02 0.00 0.00 46.19 42.86 1d2b s LEU 108 CO 0.84 -2.93 0.86 -0.44 0.02 0.00 0.00 176.35 174.70 1d2b s SER 109 N -3.50 6.58 0.39 2.29 0.01 -1.26 -4.83 113.70 113.38 1d2b s SER 109 Ca 0.65 0.36 0.32 0.00 1.31 0.00 0.00 55.95 58.58 1d2b s SER 109 Cb -0.18 -2.43 1.09 0.00 0.21 0.00 0.00 66.02 64.71 1d2b s SER 109 CO 0.57 -0.86 1.05 0.00 0.41 0.00 0.00 173.24 174.41 1d2b n LEU 110 N 6.72 0.00 0.11 2.44 -0.00 -1.26 0.61 117.00 125.63 1d2b n LEU 110 Ca 0.05 0.66 -0.24 0.00 -0.00 0.00 0.00 56.01 56.48 1d2b n LEU 110 Cb 0.48 -0.31 -0.15 0.00 -0.00 0.00 0.00 43.42 43.44 1d2b n LEU 110 CO 0.58 -0.66 -0.38 0.00 -0.00 0.00 0.00 177.39 176.93 1d2b h ALA 111 N 0.62 -0.02 -0.01 1.47 0.00 -1.98 -1.84 119.26 117.50 1d2b h ALA 111 Ca 0.59 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1d2b h ALA 111 Cb 2.52 0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.62 1d2b h ALA 111 CO -0.01 0.84 -0.00 0.94 0.00 0.00 0.00 179.25 181.02 1d2b n GLN 112 N -3.67 1.44 -0.04 0.00 7.27 2.62 0.12 117.38 125.12 1d2b n GLN 112 Ca -0.21 -0.64 -0.20 0.00 0.07 0.00 0.00 57.00 56.02 1d2b n GLN 112 Cb 1.09 -1.49 -0.13 0.00 2.41 0.00 0.00 30.24 32.12 1d2b n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b h ARG 113 N 1.56 0.13 -0.03 3.69 3.08 0.86 -2.82 114.38 120.85 1d2b h ARG 113 Ca 0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1d2b h ARG 113 Cb 0.33 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1d2b h ARG 113 CO 0.00 1.11 -0.06 0.07 -1.07 0.00 0.00 179.97 180.02 1d2b h ARG 114 N -0.62 0.09 -1.07 0.04 -0.00 -1.03 -2.68 114.38 109.11 1d2b h ARG 114 Ca -0.26 -0.06 0.35 0.00 -0.00 0.00 0.00 59.98 60.01 1d2b h ARG 114 Cb 1.50 0.01 -0.14 0.00 -0.00 0.00 0.00 29.97 31.33 1d2b h ARG 114 CO -0.03 0.63 0.63 0.78 -0.00 0.00 0.00 179.97 181.98 1d2b h GLY 115 N -0.43 1.87 0.43 0.08 0.00 0.73 1.08 103.07 106.83 1d2b h GLY 115 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1d2b h GLY 115 CO 0.01 -0.48 -0.14 0.74 0.00 0.00 0.00 176.54 176.67 1d2b h PHE 116 N 0.25 -0.37 -0.37 5.60 -1.00 -1.41 2.54 116.94 122.18 1d2b h PHE 116 Ca 0.75 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.63 1d2b h PHE 116 Cb 1.90 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 41.57 1d2b h PHE 116 CO -0.01 -0.06 0.59 0.00 -1.61 0.00 0.00 178.31 177.22 1d2b h THR 117 N -0.98 0.18 0.00 -1.55 1.03 -0.07 -3.35 112.91 108.17 1d2b h THR 117 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1d2b h THR 117 Cb 0.48 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1d2b h THR 117 CO 0.07 0.00 0.00 2.29 -0.01 0.00 0.00 175.52 177.87 1d2b n LYS 118 N -3.31 0.00 -0.00 0.00 2.85 0.33 -5.01 118.16 113.02 1d2b n LYS 118 Ca 0.07 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 1d2b n LYS 118 Cb 0.73 -0.47 -0.13 0.00 -0.65 0.00 0.00 35.03 34.52 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2b n THR 119 N -1.52 0.00 0.01 0.58 -1.04 0.59 -4.70 114.28 108.20 1d2b n THR 119 Ca 0.00 -0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 61.87 1d2b n THR 119 Cb 0.00 0.78 -0.10 0.00 -1.82 0.00 0.00 70.33 69.19 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 -1.65 0.89 0.27 -1.42 4.02 0.72 -1.81 117.16 118.17 1d2b n TYR 120 Ca 0.02 0.30 0.16 0.00 -0.01 0.00 0.00 57.90 58.37 1d2b n TYR 120 Cb 0.37 -1.07 0.86 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.00 0.00 0.00 -0.72 1.35 -1.83 1.65 112.91 113.36 1d2b h THR 121 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1d2b h THR 121 Cb 1.66 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1d2b h THR 121 CO 0.05 0.00 -0.88 0.52 -0.25 0.00 0.00 175.52 174.96 1d2b n VAL 122 N -2.69 0.00 -1.88 6.82 0.31 -1.26 -4.78 118.33 114.85 1d2b n VAL 122 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1d2b n VAL 122 Cb 0.17 -0.27 0.15 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.46 4.07 2.97 2.92 0.00 -0.75 -4.97 105.19 111.89 1d2b n GLY 123 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 4.71 1.87 0.00 0.00 0.28 -1.26 -3.91 120.64 122.34 1d2b n GLU 125 Ca 0.10 -4.11 0.00 0.00 -0.16 0.00 0.00 57.16 52.99 1d2b n GLU 125 Cb 0.14 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12