#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 0.00 -1.11 0.00 -2.24 -1.26 -4.76 114.28 104.91 1d2b n THR 2 Ca 0.00 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1d2b n THR 2 Cb 0.00 -1.98 0.16 0.00 -2.10 0.00 0.00 70.33 66.41 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 -2.55 4.05 -0.54 0.00 -7.23 -1.26 -4.70 120.40 108.17 1d2b s VAL 4 Ca 0.49 -1.43 -0.43 0.00 -1.81 0.00 0.00 61.98 58.81 1d2b s VAL 4 Cb -0.04 -3.29 -0.19 0.00 0.56 0.00 0.00 36.38 33.43 1d2b s VAL 4 CO 0.37 -0.29 2.17 -2.65 -0.31 0.00 0.00 175.10 174.39 1d2b n PRO 5 N -1.23 0.00 -3.48 4.82 -0.02 -1.26 -4.88 135.00 128.96 1d2b n PRO 5 Ca -0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.04 1d2b n PRO 5 Cb 0.59 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.48 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 6.21 4.01 -0.03 0.52 0.04 -1.26 -5.02 135.00 139.47 1d2b s PRO 6 Ca 1.20 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1d2b s PRO 6 Cb -1.47 -3.64 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 1d2b s PRO 6 CO 0.64 -0.20 0.54 0.72 0.04 0.00 0.00 177.00 178.74 1d2b n HIS 7 N 5.09 0.37 0.48 0.56 8.25 -1.26 -4.46 115.22 124.25 1d2b n HIS 7 Ca -0.11 0.51 0.07 0.00 -0.26 0.00 0.00 57.72 57.93 1d2b n HIS 7 Cb 0.51 -1.00 0.32 0.00 1.12 0.00 0.00 29.99 30.95 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 0.87 0.02 -0.04 -0.41 -0.04 -1.26 0.19 135.00 134.33 1d2b n PRO 8 Ca 0.10 0.27 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1d2b n PRO 8 Cb 0.03 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.65 0.08 0.54 -0.00 -1.87 0.18 115.11 114.69 1d2b h GLN 9 Ca 0.00 -0.32 -0.35 0.00 -0.00 0.00 0.00 58.65 57.97 1d2b h GLN 9 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.70 1d2b h GLN 9 CO 0.00 0.92 -2.00 2.41 -0.00 0.00 0.00 178.83 180.16 1d2b n THR 10 N -4.05 1.69 -0.01 1.86 -1.04 -0.57 -3.88 114.28 108.28 1d2b n THR 10 Ca -0.01 -0.54 0.09 0.00 -2.04 0.00 0.00 64.05 61.54 1d2b n THR 10 Cb 0.51 -1.73 0.49 0.00 -1.82 0.00 0.00 70.33 67.77 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 -0.06 1.91 0.05 2.41 0.00 -0.24 0.04 119.26 123.36 1d2b h ALA 11 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1d2b h ALA 11 Cb 1.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1d2b h ALA 11 CO -0.00 0.02 -0.02 0.35 0.00 0.00 0.00 179.25 179.59 1d2b h PHE 12 N 0.42 -0.06 0.00 0.00 3.04 -0.82 -3.15 116.94 116.36 1d2b h PHE 12 Ca 0.20 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1d2b h PHE 12 Cb 0.26 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1d2b h PHE 12 CO -0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 178.31 176.25 1d2b n ASN 14 N -1.89 0.56 -3.13 0.00 5.15 -0.00 -4.97 115.26 110.98 1d2b n ASN 14 Ca 0.02 0.23 -0.18 0.00 -0.60 0.00 0.00 54.58 54.05 1d2b n ASN 14 Cb 0.16 0.35 0.17 0.00 -0.53 0.00 0.00 39.78 39.93 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1d2b n SER 15 N -2.94 -2.90 0.00 1.20 2.88 -1.11 -5.00 113.62 105.75 1d2b n SER 15 Ca -0.24 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1d2b n SER 15 Cb 1.10 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1d2b n SER 15 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1d2b n ASP 16 N -4.56 0.43 -3.37 -3.46 8.00 -1.25 -4.90 116.55 107.44 1d2b n ASP 16 Ca 0.09 -1.21 0.02 0.00 0.71 0.00 0.00 54.79 54.39 1d2b n ASP 16 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d2b s LEU 17 N -0.21 -0.85 -0.17 0.64 1.43 0.45 -4.12 118.68 115.85 1d2b s LEU 17 Ca 0.00 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1d2b s LEU 17 Cb 0.00 1.87 0.04 0.00 0.03 0.00 0.00 46.19 48.13 1d2b s LEU 17 CO 0.00 -0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 175.69 1d2b s VAL 18 N 2.72 1.03 0.16 -1.59 1.01 0.10 0.24 120.40 124.09 1d2b s VAL 18 Ca 0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1d2b s VAL 18 Cb -0.10 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.08 1d2b s VAL 18 CO -0.17 0.09 0.52 0.27 0.00 0.00 0.00 175.10 175.80 1d2b s ILE 19 N 1.66 0.03 -0.14 2.22 -4.36 0.95 0.48 121.20 122.04 1d2b s ILE 19 Ca 0.00 -0.43 -0.08 0.00 -0.26 0.00 0.00 60.65 59.88 1d2b s ILE 19 Cb -0.15 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 1d2b s ILE 19 CO -0.07 -0.13 0.13 0.00 0.24 0.00 0.00 174.94 175.11 1d2b s ARG 20 N -3.81 3.66 0.24 0.37 1.70 -0.88 0.19 118.95 120.43 1d2b s ARG 20 Ca 0.04 -0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 54.97 1d2b s ARG 20 Cb -0.00 -3.24 0.01 0.00 -0.57 0.00 0.00 34.95 31.14 1d2b s ARG 20 CO -0.09 0.63 0.55 0.00 -1.08 0.00 0.00 175.30 175.30 1d2b s ALA 21 N -0.59 -0.65 0.02 7.88 0.00 0.01 -1.10 121.76 127.34 1d2b s ALA 21 Ca 0.13 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1d2b s ALA 21 Cb -0.12 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1d2b s ALA 21 CO 0.02 -0.89 -0.15 0.15 0.00 0.00 0.00 175.76 174.89 1d2b s LYS 22 N -3.96 2.24 -0.27 0.00 1.02 0.52 0.20 119.74 119.49 1d2b s LYS 22 Ca 0.16 -0.89 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1d2b s LYS 22 Cb -0.02 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1d2b s LYS 22 CO 0.06 0.56 0.44 -0.06 -0.92 0.00 0.00 175.35 175.43 1d2b s PHE 23 N -0.93 3.25 -0.29 3.18 0.40 -0.11 0.56 117.98 124.04 1d2b s PHE 23 Ca 0.15 0.50 0.15 0.00 -0.60 0.00 0.00 56.93 57.14 1d2b s PHE 23 Cb -0.11 -2.65 0.48 0.00 0.51 0.00 0.00 43.02 41.25 1d2b s PHE 23 CO 0.05 -0.26 1.12 1.33 0.70 0.00 0.00 175.22 178.16 1d2b n VAL 24 N 5.14 1.75 -3.65 -0.44 0.24 -0.88 -4.27 118.33 116.22 1d2b n VAL 24 Ca -0.06 -3.55 -0.02 0.00 -2.04 0.00 0.00 64.34 58.67 1d2b n VAL 24 Cb 0.50 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 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 -3.63 -0.34 0.23 7.63 0.00 -0.99 -4.62 107.32 105.60 1d2b s GLY 25 Ca 0.37 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.76 1d2b s GLY 25 CO -0.02 0.15 0.36 -1.08 0.00 0.00 0.00 173.10 172.51 1d2b s THR 26 N -2.78 5.26 -0.30 0.90 -1.32 -1.26 -4.14 115.64 112.01 1d2b s THR 26 Ca 0.12 -0.89 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 1d2b s THR 26 Cb 0.02 -3.84 0.01 0.00 -1.51 0.00 0.00 72.50 67.18 1d2b s THR 26 CO -0.02 -0.31 1.09 -2.16 -2.21 0.00 0.00 174.62 171.01 1d2b s PRO 27 N -3.88 4.10 -0.33 7.08 0.04 -1.26 -4.14 135.00 136.61 1d2b s PRO 27 Ca 0.35 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1d2b s PRO 27 Cb -0.09 -3.73 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1d2b s PRO 27 CO 0.29 -0.86 0.40 -1.83 0.04 0.00 0.00 177.00 175.04 1d2b s GLU 28 N 3.59 3.64 -0.47 4.56 -1.05 -0.88 -4.90 118.70 123.19 1d2b s GLU 28 Ca 0.46 -0.30 -0.06 0.00 -0.15 0.00 0.00 54.97 54.92 1d2b s GLU 28 Cb -0.13 -3.78 0.12 0.00 -0.44 0.00 0.00 34.13 29.90 1d2b s GLU 28 CO 0.14 -0.52 0.31 0.08 0.95 0.00 0.00 175.26 176.23 1d2b s VAL 29 N 2.11 3.85 0.74 1.83 1.01 -1.26 -1.85 120.40 126.82 1d2b s VAL 29 Ca 0.14 -2.02 -0.13 0.00 0.00 0.00 0.00 61.98 59.96 1d2b s VAL 29 Cb -0.16 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1d2b s VAL 29 CO 0.12 -0.76 1.14 0.21 0.00 0.00 0.00 175.10 175.81 1d2b s ASN 30 N 2.15 4.42 0.03 3.32 2.47 -1.26 -4.90 114.94 121.17 1d2b s ASN 30 Ca 0.08 2.10 0.28 0.00 0.42 0.00 0.00 52.86 55.74 1d2b s ASN 30 Cb -0.24 -2.56 1.01 0.00 -1.45 0.00 0.00 41.25 38.01 1d2b s ASN 30 CO -0.03 -2.10 1.79 0.00 -3.72 0.00 0.00 177.10 173.04 1d2b n GLN 31 N -2.96 0.04 -1.39 0.43 1.13 -1.26 -4.03 117.38 109.34 1d2b n GLN 31 Ca 0.11 0.03 0.01 0.00 -1.94 0.00 0.00 57.00 55.21 1d2b n GLN 31 Cb 0.52 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 29.32 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 -1.62 0.02 -0.11 5.09 -1.04 -1.26 -4.84 114.28 110.51 1d2b n THR 32 Ca 0.06 -0.77 -0.25 0.00 -2.04 0.00 0.00 64.05 61.06 1d2b n THR 32 Cb 0.35 0.88 -0.11 0.00 -1.82 0.00 0.00 70.33 69.63 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 1.56 0.00 12.58 5.66 -1.26 -4.95 114.28 128.21 1d2b n THR 33 Ca -0.03 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1d2b n THR 33 Cb 1.03 -1.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.94 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 -4.11 0.00 -4.09 1.09 4.77 -1.24 -4.87 117.00 108.55 1d2b n LEU 34 Ca -0.43 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.48 1d2b n LEU 34 Cb 0.85 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 1d2b n LEU 34 CO 0.16 0.00 -0.36 -0.72 -1.33 0.00 0.00 177.39 175.14 1d2b s TYR 35 N -2.19 0.54 0.40 -1.77 1.13 -1.25 0.96 117.35 115.17 1d2b s TYR 35 Ca 0.00 -1.07 0.01 0.00 -1.41 0.00 0.00 57.07 54.59 1d2b s TYR 35 Cb 0.00 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1d2b s TYR 35 CO 0.00 -0.38 0.06 1.04 -2.51 0.00 0.00 175.55 173.76 1d2b n GLN 36 N 0.10 1.01 -3.51 -3.49 6.02 0.86 -4.06 117.38 114.30 1d2b n GLN 36 Ca -0.14 -2.83 -0.18 0.00 -0.01 0.00 0.00 57.00 53.85 1d2b n GLN 36 Cb 0.61 0.67 -0.13 0.00 1.02 0.00 0.00 30.24 32.41 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 -3.48 0.18 -0.00 -1.09 0.52 -0.77 -3.00 118.95 111.31 1d2b s ARG 37 Ca 0.05 0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 55.48 1d2b s ARG 37 Cb -0.00 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 1d2b s ARG 37 CO 0.03 -0.61 0.23 0.71 0.02 0.00 0.00 175.30 175.68 1d2b s TYR 38 N 2.34 3.56 -0.00 -0.53 2.02 -0.82 -2.06 117.35 121.85 1d2b s TYR 38 Ca 0.06 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 1d2b s TYR 38 Cb -0.15 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1d2b s TYR 38 CO -0.11 0.63 0.25 -2.00 -1.57 0.00 0.00 175.55 172.74 1d2b s GLU 39 N -1.83 3.55 0.29 -0.62 -6.30 -1.26 -0.76 118.70 111.78 1d2b s GLU 39 Ca 0.27 -0.11 0.03 0.00 -2.50 0.00 0.00 54.97 52.67 1d2b s GLU 39 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 34.13 30.88 1d2b s GLU 39 CO 0.17 0.66 0.18 0.96 0.02 0.00 0.00 175.26 177.25 1d2b s ILE 40 N -1.28 0.20 -0.72 -3.70 -4.36 -0.75 -2.08 121.20 108.50 1d2b s ILE 40 Ca 0.27 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 1d2b s ILE 40 Cb -0.13 -2.50 0.17 0.00 1.25 0.00 0.00 42.46 41.25 1d2b s ILE 40 CO 0.16 0.00 0.52 -0.75 0.24 0.00 0.00 174.94 175.10 1d2b s LYS 41 N -3.79 2.56 0.04 0.37 2.36 2.27 -4.53 119.74 119.00 1d2b s LYS 41 Ca 0.37 -3.26 -0.32 0.00 -2.55 0.00 0.00 55.97 50.21 1d2b s LYS 41 Cb 0.05 -3.51 -0.10 0.00 -1.05 0.00 0.00 37.83 33.22 1d2b s LYS 41 CO 0.19 -1.27 1.89 -0.12 1.55 0.00 0.00 175.35 177.60 1d2b n MET 42 N 2.15 2.64 -0.04 4.03 0.00 -1.26 -0.36 117.12 124.28 1d2b n MET 42 Ca 0.18 0.97 -0.01 0.00 -0.00 0.00 0.00 57.70 58.84 1d2b n MET 42 Cb 0.35 -2.87 -0.00 0.00 0.00 0.00 0.00 33.22 30.70 1d2b n MET 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1d2b h THR 43 N 5.20 0.00 -3.11 1.12 1.35 -1.45 -3.47 112.91 112.56 1d2b h THR 43 Ca -0.48 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 64.62 1d2b h THR 43 Cb 1.24 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.50 1d2b h THR 43 CO 0.94 0.00 -0.12 -0.54 -0.25 0.00 0.00 175.52 175.55 1d2b s LYS 44 N -1.57 0.92 -0.06 4.72 1.02 -1.04 -5.04 119.74 118.69 1d2b s LYS 44 Ca -0.04 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 1d2b s LYS 44 Cb 0.01 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.67 1d2b s LYS 44 CO 0.06 -0.32 0.36 1.41 -0.92 0.00 0.00 175.35 175.94 1d2b s MET 45 N -2.63 3.99 -0.19 1.68 1.75 -1.26 -2.07 119.30 120.57 1d2b s MET 45 Ca -0.04 0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.58 1d2b s MET 45 Cb -0.00 -3.29 -0.08 0.00 2.84 0.00 0.00 34.83 34.29 1d2b s MET 45 CO -0.04 0.53 -0.27 0.66 -0.65 0.00 0.00 175.02 175.26 1d2b n TYR 46 N 2.47 0.00 -4.08 4.11 4.02 0.40 -4.93 117.16 119.15 1d2b n TYR 46 Ca -0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.43 1d2b n TYR 46 Cb 0.52 -0.67 -0.15 0.00 -0.02 0.00 0.00 39.34 39.02 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 2.57 0.00 -0.72 2.36 0.18 -4.70 119.74 116.99 1d2b s LYS 47 Ca -0.28 -1.12 0.00 0.00 -2.55 0.00 0.00 55.97 52.02 1d2b s LYS 47 Cb 0.10 -2.77 0.00 0.00 -1.05 0.00 0.00 37.83 34.11 1d2b s LYS 47 CO 0.35 -0.42 0.00 0.41 1.55 0.00 0.00 175.35 177.25 1d2b n GLY 48 N 4.52 -0.23 0.39 5.54 0.00 -1.26 -0.72 105.19 113.43 1d2b n GLY 48 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 -0.29 1.61 0.04 -1.93 1.38 116.94 116.45 1d2b h PHE 49 Ca 0.00 0.09 0.08 0.00 2.80 0.00 0.00 57.97 60.94 1d2b h PHE 49 Cb 0.00 0.67 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1d2b h PHE 49 CO 0.00 -0.41 0.32 -0.56 -0.60 0.00 0.00 178.31 177.06 1d2b h GLN 50 N -0.16 0.00 -0.00 1.51 3.07 -1.99 1.15 115.11 118.69 1d2b h GLN 50 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1d2b h GLN 50 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1d2b h GLN 50 CO -0.77 0.00 -0.65 0.00 0.09 0.00 0.00 178.83 177.50 1d2b n ALA 51 N -2.33 3.92 -0.61 0.06 0.00 0.40 -4.65 120.51 117.31 1d2b n ALA 51 Ca 0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 1d2b n ALA 51 Cb 0.47 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.43 3.48 0.29 0.00 -0.00 0.40 -4.52 117.00 115.21 1d2b n LEU 52 Ca 0.05 -2.38 -0.12 0.00 -0.00 0.00 0.00 56.01 53.56 1d2b n LEU 52 Cb 0.34 -0.93 -0.06 0.00 -0.00 0.00 0.00 43.42 42.77 1d2b n LEU 52 CO 0.37 -0.07 0.52 1.23 -0.00 0.00 0.00 177.39 179.44 1d2b h GLY 53 N 9.88 -0.90 -7.25 1.47 0.00 -1.82 -3.37 103.07 101.07 1d2b h GLY 53 Ca 0.36 0.35 -0.62 0.00 0.00 0.00 0.00 47.33 47.42 1d2b h GLY 53 CO 1.43 -0.31 -0.72 0.99 0.00 0.00 0.00 176.54 177.93 1d2b s ASP 54 N -3.26 4.10 0.00 0.19 1.01 -1.26 -4.99 116.67 112.46 1d2b s ASP 54 Ca -0.12 -2.36 0.00 0.00 0.71 0.00 0.00 52.55 50.78 1d2b s ASP 54 Cb 0.02 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.71 1d2b s ASP 54 CO 0.36 -0.32 0.01 0.00 0.21 0.00 0.00 175.17 175.43 1d2b n ALA 55 N 3.92 0.17 -0.86 5.23 0.00 -1.26 -0.20 120.51 127.51 1d2b n ALA 55 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1d2b n ALA 55 Cb 0.37 -0.11 0.14 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.14 2.33 0.29 0.00 0.00 -1.26 -4.67 120.51 117.06 1d2b n ALA 56 Ca 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 53.44 51.17 1d2b n ALA 56 Cb 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 19.45 19.20 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d2b n ASP 57 N -1.07 2.85 -3.46 0.00 8.00 0.72 -4.49 116.55 119.09 1d2b n ASP 57 Ca 0.14 -2.39 -0.27 0.00 0.71 0.00 0.00 54.79 52.97 1d2b n ASP 57 Cb 0.61 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d2b s ILE 58 N -1.52 0.68 -0.16 0.53 1.09 -1.26 -4.76 121.20 115.79 1d2b s ILE 58 Ca 0.20 -2.84 0.01 0.00 -1.10 0.00 0.00 60.65 56.92 1d2b s ILE 58 Cb 0.16 -1.47 0.02 0.00 -1.06 0.00 0.00 42.46 40.10 1d2b s ILE 58 CO 0.05 -1.20 0.64 0.54 -0.10 0.00 0.00 174.94 174.87 1d2b n ARG 59 N 2.77 -0.08 -3.75 2.79 1.74 -1.26 -4.55 116.66 114.31 1d2b n ARG 59 Ca 0.28 -0.77 -0.14 0.00 -0.77 0.00 0.00 57.85 56.45 1d2b n ARG 59 Cb 0.46 -1.03 -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 -0.28 -0.21 -0.16 -1.55 0.40 -1.26 -1.81 117.98 113.10 1d2b s PHE 60 Ca 0.02 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1d2b s PHE 60 Cb 0.01 0.11 -0.01 0.00 0.51 0.00 0.00 43.02 43.64 1d2b s PHE 60 CO 0.02 -0.40 -0.10 0.14 0.70 0.00 0.00 175.22 175.58 1d2b s VAL 61 N -1.30 3.15 -0.40 -0.44 -7.23 0.06 -4.13 120.40 110.11 1d2b s VAL 61 Ca -0.13 -0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 59.34 1d2b s VAL 61 Cb -0.05 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.60 1d2b s VAL 61 CO 0.04 0.49 0.23 -0.31 -0.31 0.00 0.00 175.10 175.25 1d2b s TYR 62 N 0.76 3.32 0.24 2.82 1.51 0.53 -1.95 117.35 124.60 1d2b s TYR 62 Ca -0.04 -1.48 0.09 0.00 -1.01 0.00 0.00 57.07 54.63 1d2b s TYR 62 Cb -0.15 -2.83 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1d2b s TYR 62 CO 0.01 -0.82 -0.03 -0.08 -1.11 0.00 0.00 175.55 173.53 1d2b s THR 63 N 1.43 3.37 0.35 -0.71 -1.32 -1.16 -2.95 115.64 114.65 1d2b s THR 63 Ca 0.02 -1.85 -0.28 0.00 -1.21 0.00 0.00 61.69 58.37 1d2b s THR 63 Cb -0.22 -2.77 -0.10 0.00 -1.51 0.00 0.00 72.50 67.90 1d2b s THR 63 CO 0.02 -0.31 1.34 -2.84 -2.21 0.00 0.00 174.62 170.63 1d2b s PRO 64 N -3.45 4.24 -0.70 7.08 0.02 -1.24 0.29 135.00 141.24 1d2b s PRO 64 Ca 0.30 2.27 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 1d2b s PRO 64 Cb -0.07 -2.99 0.18 0.00 0.02 0.00 0.00 34.50 31.63 1d2b s PRO 64 CO 0.19 -0.31 0.53 0.00 -0.33 0.00 0.00 177.00 177.08 1d2b s ALA 65 N -1.16 3.78 0.22 -1.55 0.00 6.18 -3.62 121.76 125.61 1d2b s ALA 65 Ca 0.51 -3.51 -0.05 0.00 0.00 0.00 0.00 51.96 48.91 1d2b s ALA 65 Cb -0.41 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1d2b s ALA 65 CO 0.54 -2.12 0.26 0.00 0.00 0.00 0.00 175.76 174.45 1d2b s MET 66 N -0.63 1.34 0.00 0.00 0.23 -1.26 -3.68 119.30 115.29 1d2b s MET 66 Ca 0.21 -1.49 -0.30 0.00 -1.03 0.00 0.00 55.69 53.07 1d2b s MET 66 Cb -0.15 0.35 -0.09 0.00 -1.53 0.00 0.00 34.83 33.40 1d2b s MET 66 CO -0.07 -0.49 2.00 -0.85 -2.03 0.00 0.00 175.02 173.58 1d2b n GLU 67 N -0.32 2.73 -3.40 3.16 0.28 -1.26 -1.36 120.64 120.47 1d2b n GLU 67 Ca 0.01 0.98 -0.18 0.00 -0.16 0.00 0.00 57.16 57.81 1d2b n GLU 67 Cb 0.64 -3.01 0.08 0.00 1.43 0.00 0.00 31.44 30.59 1d2b n GLU 67 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1d2b n SER 68 N 7.92 -3.35 -4.94 -1.84 7.64 -1.26 -4.99 113.62 112.80 1d2b n SER 68 Ca 0.21 -0.55 -0.25 0.00 1.01 0.00 0.00 58.87 59.29 1d2b n SER 68 Cb 0.40 -4.79 0.05 0.00 -1.01 0.00 0.00 64.21 58.86 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 -3.32 2.93 -1.20 0.44 0.11 -0.47 -4.75 120.40 114.13 1d2b s VAL 69 Ca 0.18 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1d2b s VAL 69 Cb -0.08 -3.18 0.22 0.00 -1.53 0.00 0.00 36.38 31.81 1d2b s VAL 69 CO 0.68 -0.17 1.74 0.00 -3.33 0.00 0.00 175.10 174.01 1d2b n GLY 71 N 2.16 1.92 2.90 0.00 0.00 -1.24 -3.62 105.19 107.31 1d2b n GLY 71 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.05 -1.02 1.61 6.14 -1.26 -3.49 117.35 118.27 1d2b s TYR 72 Ca 0.00 -0.02 -0.25 0.00 0.64 0.00 0.00 57.07 57.44 1d2b s TYR 72 Cb 0.00 0.20 -0.13 0.00 0.42 0.00 0.00 41.96 42.44 1d2b s TYR 72 CO 0.00 -0.75 2.09 -0.06 0.64 0.00 0.00 175.55 177.47 1d2b s PHE 73 N 1.56 1.53 -0.65 4.97 0.40 -1.26 -4.85 117.98 119.67 1d2b s PHE 73 Ca 0.19 1.39 -0.19 0.00 -0.60 0.00 0.00 56.93 57.73 1d2b s PHE 73 Cb 0.02 -3.68 0.11 0.00 0.51 0.00 0.00 43.02 39.98 1d2b s PHE 73 CO -0.10 -1.21 0.77 -1.58 0.70 0.00 0.00 175.22 173.81 1d2b s HIS 74 N 13.52 3.06 -0.41 0.36 5.65 -1.26 -4.88 115.29 131.32 1d2b s HIS 74 Ca 0.78 -1.08 0.06 0.00 0.25 0.00 0.00 55.06 55.07 1d2b s HIS 74 Cb -0.06 -4.05 0.43 0.00 -1.18 0.00 0.00 32.58 27.72 1d2b s HIS 74 CO 0.11 -1.32 1.12 2.89 -0.65 0.00 0.00 174.74 176.89 1d2b n ARG 75 N 6.24 3.37 -3.76 2.88 1.85 -1.26 -5.01 116.66 120.97 1d2b n ARG 75 Ca -0.03 -4.41 -0.38 0.00 -1.00 0.00 0.00 57.85 52.03 1d2b n ARG 75 Cb 0.44 -2.21 -0.12 0.00 -1.05 0.00 0.00 32.46 29.51 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1d2b s SER 76 N -3.54 5.28 0.13 2.89 0.01 -1.26 -4.99 113.70 112.22 1d2b s SER 76 Ca 0.48 -1.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1d2b s SER 76 Cb 0.40 -1.87 -0.07 0.00 0.21 0.00 0.00 66.02 64.70 1d2b s SER 76 CO -0.15 -0.31 1.59 1.12 0.41 0.00 0.00 173.24 175.90 1d2b h HIS 77 N 8.22 -1.17 -2.73 2.43 2.07 -2.03 -3.37 115.15 118.56 1d2b h HIS 77 Ca -0.24 0.04 -0.57 0.00 -2.85 0.00 0.00 60.37 56.75 1d2b h HIS 77 Cb 1.09 0.52 -0.03 0.00 2.57 0.00 0.00 27.41 31.56 1d2b h HIS 77 CO 0.59 -0.48 1.25 1.21 -3.07 0.00 0.00 177.93 177.43 1d2b s ASN 78 N -4.83 5.94 -0.07 3.10 3.04 -1.26 -4.84 114.94 116.02 1d2b s ASN 78 Ca -0.16 1.22 0.09 0.00 0.04 0.00 0.00 52.86 54.05 1d2b s ASN 78 Cb 0.09 -2.53 -0.24 0.00 -1.54 0.00 0.00 41.25 37.03 1d2b s ASN 78 CO 0.64 -1.68 0.55 -2.11 -3.04 0.00 0.00 177.10 171.45 1d2b n ARG 79 N 8.40 0.66 -0.00 0.43 0.00 -1.26 -3.70 116.66 121.19 1d2b n ARG 79 Ca 0.22 0.26 0.15 0.00 -0.00 0.00 0.00 57.85 58.49 1d2b n ARG 79 Cb 0.47 -1.75 0.90 0.00 -0.00 0.00 0.00 32.46 32.08 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1d2b n SER 80 N -3.10 0.04 -4.75 2.89 3.41 -1.26 -0.94 113.62 109.92 1d2b n SER 80 Ca -0.21 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 56.93 1d2b n SER 80 Cb 1.06 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 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 -2.00 4.52 0.06 4.33 -6.30 -1.24 -4.92 118.70 113.15 1d2b s GLU 81 Ca 0.46 1.90 -0.30 0.00 -2.50 0.00 0.00 54.97 54.52 1d2b s GLU 81 Cb 0.21 -3.21 -0.05 0.00 0.00 0.00 0.00 34.13 31.09 1d2b s GLU 81 CO 0.35 -0.02 1.04 -2.00 0.02 0.00 0.00 175.26 174.65 1d2b s GLU 82 N -0.75 4.57 0.49 4.30 2.12 -1.26 -4.32 118.70 123.85 1d2b s GLU 82 Ca 0.50 1.54 0.03 0.00 0.36 0.00 0.00 54.97 57.40 1d2b s GLU 82 Cb -0.33 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 1d2b s GLU 82 CO 0.40 -0.01 0.03 -0.06 -0.54 0.00 0.00 175.26 175.08 1d2b s PHE 83 N 0.60 2.00 -0.15 5.30 0.40 0.54 -3.73 117.98 122.95 1d2b s PHE 83 Ca 0.52 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1d2b s PHE 83 Cb -0.24 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1d2b s PHE 83 CO 0.30 0.23 -0.17 -1.17 0.70 0.00 0.00 175.22 175.10 1d2b s LEU 84 N -3.87 2.39 -0.25 -0.37 1.98 0.86 -0.81 118.68 118.60 1d2b s LEU 84 Ca 0.14 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 50.88 1d2b s LEU 84 Cb 0.03 -1.53 0.07 0.00 0.66 0.00 0.00 46.19 45.42 1d2b s LEU 84 CO 0.08 0.09 0.00 -0.63 -1.89 0.00 0.00 176.35 174.00 1d2b s ILE 85 N 0.78 1.28 -0.34 6.68 1.01 0.52 -2.03 121.20 129.10 1d2b s ILE 85 Ca -0.06 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 1d2b s ILE 85 Cb -0.15 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1d2b s ILE 85 CO -0.00 -0.29 0.41 0.00 0.00 0.00 0.00 174.94 175.06 1d2b s ALA 86 N 1.48 3.49 -0.23 9.38 0.00 0.01 -0.03 121.76 135.85 1d2b s ALA 86 Ca -0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 1d2b s ALA 86 Cb -0.18 -2.87 0.12 0.00 0.00 0.00 0.00 23.12 20.18 1d2b s ALA 86 CO -0.11 -1.09 0.99 0.20 0.00 0.00 0.00 175.76 175.75 1d2b s GLY 87 N 1.73 -0.23 0.97 0.00 0.00 0.67 -4.30 107.32 106.17 1d2b s GLY 87 Ca 0.14 2.38 -0.15 0.00 0.00 0.00 0.00 44.72 47.09 1d2b s GLY 87 CO 0.12 1.55 1.21 0.54 0.00 0.00 0.00 173.10 176.51 1d2b s LYS 88 N -0.23 0.61 -0.18 2.90 1.02 -0.93 0.17 119.74 123.10 1d2b s LYS 88 Ca 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1d2b s LYS 88 Cb -0.03 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1d2b s LYS 88 CO -0.03 -2.49 -0.17 -0.51 -0.92 0.00 0.00 175.35 171.23 1d2b s LEU 89 N -6.10 2.31 -0.36 3.17 1.43 -1.26 0.35 118.68 118.22 1d2b s LEU 89 Ca 0.69 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1d2b s LEU 89 Cb -0.09 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1d2b s LEU 89 CO 0.53 0.02 0.24 -1.58 0.23 0.00 0.00 176.35 175.80 1d2b s GLN 90 N 1.18 3.28 -0.81 1.70 -0.44 0.38 -4.63 119.66 120.32 1d2b s GLN 90 Ca 0.02 -0.79 -0.10 0.00 -2.50 0.00 0.00 55.36 51.99 1d2b s GLN 90 Cb -0.14 -3.82 0.10 0.00 -1.64 0.00 0.00 33.01 27.51 1d2b s GLN 90 CO -0.08 -0.55 0.26 -0.25 0.50 0.00 0.00 175.29 175.17 1d2b n ASP 91 N 5.10 -1.30 0.00 6.67 8.00 -1.26 0.10 116.55 133.86 1d2b n ASP 91 Ca -0.12 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1d2b n ASP 91 Cb 0.49 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 -0.72 1.15 3.37 0.44 0.00 -1.26 -5.10 105.19 103.07 1d2b n GLY 92 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 2.28 0.65 0.99 2.01 0.11 -4.88 118.68 119.85 1d2b s LEU 93 Ca 0.00 -0.44 -0.16 0.00 0.01 0.00 0.00 54.13 53.54 1d2b s LEU 93 Cb 0.00 -1.39 -0.00 0.00 0.01 0.00 0.00 46.19 44.80 1d2b s LEU 93 CO 0.00 0.30 1.13 -0.22 1.01 0.00 0.00 176.35 178.57 1d2b s LEU 94 N -0.88 3.44 -0.02 1.79 2.96 -1.26 0.14 118.68 124.85 1d2b s LEU 94 Ca 0.11 2.08 -0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1d2b s LEU 94 Cb -0.10 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1d2b s LEU 94 CO 0.01 -1.66 0.06 -1.00 -1.32 0.00 0.00 176.35 172.44 1d2b s HIS 95 N -2.20 -0.03 0.27 5.38 3.76 0.16 -0.34 115.29 122.28 1d2b s HIS 95 Ca 0.69 0.09 -0.16 0.00 -0.15 0.00 0.00 55.06 55.54 1d2b s HIS 95 Cb -0.22 0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.47 1d2b s HIS 95 CO 0.40 -0.06 0.58 0.96 -0.85 0.00 0.00 174.74 175.76 1d2b s ILE 96 N -0.18 0.00 0.02 0.60 -0.00 -1.15 -2.19 121.20 118.29 1d2b s ILE 96 Ca -0.02 -1.25 -0.19 0.00 -0.00 0.00 0.00 60.65 59.19 1d2b s ILE 96 Cb -0.02 -2.18 0.04 0.00 -0.00 0.00 0.00 42.46 40.30 1d2b s ILE 96 CO 0.00 0.00 0.42 0.42 -0.00 0.00 0.00 174.94 175.78 1d2b s THR 97 N -3.87 0.05 -2.00 8.37 -4.23 -1.23 -4.33 115.64 108.41 1d2b s THR 97 Ca 0.18 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.36 1d2b s THR 97 Cb -0.03 -0.87 0.22 0.00 1.34 0.00 0.00 72.50 73.16 1d2b s THR 97 CO 0.09 -0.23 0.91 0.35 -0.54 0.00 0.00 174.62 175.20 1d2b n THR 98 N 0.74 0.00 -0.87 3.99 -2.24 -1.23 -0.14 114.28 114.53 1d2b n THR 98 Ca -0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1d2b n THR 98 Cb 0.59 -0.86 0.13 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.46 4.34 -0.41 0.00 0.01 0.80 -4.63 113.70 111.34 1d2b s SER 100 Ca 0.27 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.75 1d2b s SER 100 Cb 0.24 -0.78 -0.07 0.00 0.21 0.00 0.00 66.02 65.62 1d2b s SER 100 CO 0.03 0.12 2.36 0.33 0.41 0.00 0.00 173.24 176.49 1d2b n PHE 101 N 0.21 1.59 -3.43 2.43 -0.00 -1.26 -4.84 117.46 112.16 1d2b n PHE 101 Ca -0.11 0.05 -0.17 0.00 -0.00 0.00 0.00 57.45 57.21 1d2b n PHE 101 Cb 0.54 -2.66 -0.11 0.00 -0.00 0.00 0.00 39.48 37.26 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 10.71 -0.39 0.25 -2.13 1.01 -1.26 -0.81 120.40 127.79 1d2b s VAL 102 Ca 1.01 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 1d2b s VAL 102 Cb -0.28 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1d2b s VAL 102 CO 0.31 -0.35 0.65 0.00 0.00 0.00 0.00 175.10 175.71 1d2b s ALA 103 N 2.36 -1.09 0.01 5.51 0.00 -0.86 -5.00 121.76 122.69 1d2b s ALA 103 Ca 0.09 -0.29 -0.33 0.00 0.00 0.00 0.00 51.96 51.43 1d2b s ALA 103 Cb -0.15 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 23.74 1d2b s ALA 103 CO -0.24 -0.96 1.84 -2.30 0.00 0.00 0.00 175.76 174.10 1d2b n PRO 104 N -0.43 2.38 -0.12 0.00 -0.02 -1.26 -0.10 135.00 135.46 1d2b n PRO 104 Ca -0.06 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1d2b n PRO 104 Cb 0.60 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.49 0.00 6.00 2.91 -1.76 0.11 115.95 131.51 1d2b h TRP 105 Ca -0.48 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1d2b h TRP 105 Cb 1.26 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 30.19 1d2b h TRP 105 CO 0.84 -0.28 0.00 0.09 -1.03 0.00 0.00 178.44 178.06 1d2b n ASN 106 N -5.38 0.00 0.00 2.65 3.02 -1.26 0.28 115.26 114.57 1d2b n ASN 106 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1d2b n ASN 106 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.34 0.12 -4.59 6.41 2.88 0.03 -5.08 113.62 113.72 1d2b n SER 107 Ca 0.00 -0.29 -0.29 0.00 -1.33 0.00 0.00 58.87 56.95 1d2b n SER 107 Cb 0.00 0.61 0.14 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.25 2.18 -0.47 2.46 1.02 0.14 -5.00 118.68 117.76 1d2b s LEU 108 Ca 0.00 0.73 -0.25 0.00 0.02 0.00 0.00 54.13 54.63 1d2b s LEU 108 Cb 0.00 -2.99 0.03 0.00 0.02 0.00 0.00 46.19 43.25 1d2b s LEU 108 CO 0.00 -2.55 0.93 -0.44 0.02 0.00 0.00 176.35 174.30 1d2b s SER 109 N -4.35 6.48 0.36 2.29 0.01 -1.26 -4.84 113.70 112.39 1d2b s SER 109 Ca 0.66 0.07 0.33 0.00 1.31 0.00 0.00 55.95 58.31 1d2b s SER 109 Cb -0.11 -2.45 1.13 0.00 0.21 0.00 0.00 66.02 64.80 1d2b s SER 109 CO 0.52 -1.07 1.01 0.00 0.41 0.00 0.00 173.24 174.12 1d2b n LEU 110 N 7.19 0.00 0.09 2.44 -0.00 -1.26 0.68 117.00 126.15 1d2b n LEU 110 Ca 0.06 0.65 -0.16 0.00 -0.00 0.00 0.00 56.01 56.56 1d2b n LEU 110 Cb 0.48 -0.33 -0.14 0.00 -0.00 0.00 0.00 43.42 43.44 1d2b n LEU 110 CO 0.64 -0.66 -0.15 0.00 -0.00 0.00 0.00 177.39 177.23 1d2b h ALA 111 N 0.66 0.17 -0.00 1.47 0.00 -1.98 -2.21 119.26 117.36 1d2b h ALA 111 Ca 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1d2b h ALA 111 Cb 2.45 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.35 1d2b h ALA 111 CO -0.01 1.04 -0.21 0.94 0.00 0.00 0.00 179.25 181.01 1d2b n GLN 112 N -3.50 0.41 0.09 0.00 7.27 3.17 0.11 117.38 124.94 1d2b n GLN 112 Ca -0.11 -0.17 -0.14 0.00 0.07 0.00 0.00 57.00 56.65 1d2b n GLN 112 Cb 1.03 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 32.08 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 0.41 0.29 0.01 3.69 3.08 0.47 -2.29 114.38 120.03 1d2b h ARG 113 Ca 0.00 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 1d2b h ARG 113 Cb 0.44 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1d2b h ARG 113 CO 0.00 1.16 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.97 1d2b h ARG 114 N 0.11 -0.01 -0.87 0.04 1.12 -0.62 -2.79 114.38 111.36 1d2b h ARG 114 Ca -0.11 0.00 0.21 0.00 -1.11 0.00 0.00 59.98 58.98 1d2b h ARG 114 Cb 1.84 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 31.65 1d2b h ARG 114 CO 0.19 0.59 0.02 0.78 -3.11 0.00 0.00 179.97 178.43 1d2b h GLY 115 N -0.63 1.03 0.76 2.80 0.00 0.90 1.79 103.07 109.72 1d2b h GLY 115 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1d2b h GLY 115 CO 0.00 -0.38 -0.21 0.74 0.00 0.00 0.00 176.54 176.69 1d2b h PHE 116 N 0.08 -0.55 -0.08 5.60 -1.00 -1.43 4.33 116.94 123.88 1d2b h PHE 116 Ca 0.50 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.29 1d2b h PHE 116 Cb 0.94 0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 1d2b h PHE 116 CO -0.46 -0.24 0.46 0.00 -1.61 0.00 0.00 178.31 176.46 1d2b h THR 117 N -0.85 0.05 0.00 -1.55 1.03 -0.05 -3.35 112.91 108.19 1d2b h THR 117 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1d2b h THR 117 Cb 0.56 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1d2b h THR 117 CO 0.10 0.00 -0.01 2.29 -0.01 0.00 0.00 175.52 177.89 1d2b n LYS 118 N -2.96 0.00 0.01 0.00 2.85 0.57 -5.01 118.16 113.61 1d2b n LYS 118 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1d2b n LYS 118 Cb 0.52 -0.37 -0.11 0.00 -0.65 0.00 0.00 35.03 34.42 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 -1.77 0.07 -0.59 0.58 -1.04 1.37 -4.58 114.28 108.32 1d2b n THR 119 Ca 0.00 -0.32 0.05 0.00 -2.04 0.00 0.00 64.05 61.75 1d2b n THR 119 Cb 0.00 0.29 0.34 0.00 -1.82 0.00 0.00 70.33 69.14 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 -2.02 1.76 -0.06 -1.42 4.02 0.22 -1.32 117.16 118.34 1d2b n TYR 120 Ca -0.00 -0.62 -0.01 0.00 -0.01 0.00 0.00 57.90 57.25 1d2b n TYR 120 Cb 0.48 -0.45 -0.16 0.00 -0.02 0.00 0.00 39.34 39.18 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1d2b n THR 121 N 0.50 0.84 0.00 -0.72 5.66 -1.26 -3.52 114.28 115.78 1d2b n THR 121 Ca 0.24 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1d2b n THR 121 Cb 1.05 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -2.56 0.00 -1.92 1.08 0.31 -1.26 -4.77 118.33 109.21 1d2b n VAL 122 Ca -0.21 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1d2b n VAL 122 Cb 0.92 -0.23 0.13 0.00 -0.91 0.00 0.00 33.84 33.75 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 2.47 4.25 3.05 2.92 0.00 -0.44 -4.97 105.19 112.47 1d2b n GLY 123 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 5.19 1.73 0.00 0.00 0.28 -1.26 -4.02 120.64 122.56 1d2b n GLU 125 Ca 0.14 -4.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.05 1d2b n GLU 125 Cb 0.16 -1.87 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