#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqi s VAL 2 N 0.00 4.42 -0.01 2.53 1.01 -1.26 -3.94 120.40 123.16 2dqi s VAL 2 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 61.98 63.91 2dqi s VAL 2 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2dqi s VAL 2 CO 0.00 0.41 -0.02 -1.10 0.00 0.00 0.00 175.10 174.38 2dqi s GLN 3 N -0.49 0.24 0.05 2.72 -0.21 0.11 -4.98 119.66 117.10 2dqi s GLN 3 Ca 0.42 -0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.79 2dqi s GLN 3 Cb -0.23 -0.26 -0.03 0.00 1.00 0.00 0.00 33.01 33.48 2dqi s GLN 3 CO 0.28 0.03 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.84 2dqi s LEU 4 N 0.09 2.83 -0.19 2.90 1.02 -1.26 -1.04 118.68 123.03 2dqi s LEU 4 Ca -0.01 -0.37 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 2dqi s LEU 4 Cb -0.03 -1.65 0.09 0.00 0.02 0.00 0.00 46.19 44.62 2dqi s LEU 4 CO -0.00 0.24 0.35 -1.58 0.02 0.00 0.00 176.35 175.37 2dqi s GLN 5 N -1.66 0.26 0.45 1.70 2.00 -0.77 -4.24 119.66 117.40 2dqi s GLN 5 Ca 0.17 0.79 -0.17 0.00 -2.00 0.00 0.00 55.36 54.15 2dqi s GLN 5 Cb -0.11 -0.04 -0.09 0.00 0.80 0.00 0.00 33.01 33.57 2dqi s GLN 5 CO 0.08 -0.37 0.91 -1.21 -0.50 0.00 0.00 175.29 174.20 2dqi s GLU 6 N 2.52 4.02 0.03 1.67 8.01 -1.26 -0.47 118.70 133.23 2dqi s GLU 6 Ca 0.03 0.90 -0.23 0.00 0.01 0.00 0.00 54.97 55.67 2dqi s GLU 6 Cb -0.13 -2.22 0.05 0.00 -4.31 0.00 0.00 34.13 27.52 2dqi s GLU 6 CO -0.12 -0.11 0.54 -1.54 0.01 0.00 0.00 175.26 174.04 2dqi s SER 7 N -2.70 -0.47 0.00 -0.19 1.04 0.39 -4.94 113.70 106.82 2dqi s SER 7 Ca 0.58 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2dqi s SER 7 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2dqi s SER 7 CO 0.24 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2dqi n GLY 8 N 0.50 2.35 3.70 7.32 0.00 -1.26 -0.69 105.19 117.11 2dqi n GLY 8 Ca -0.19 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2dqi n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dqi n PRO 9 N -1.92 1.97 0.01 1.61 -0.04 -1.26 -4.93 135.00 130.44 2dqi n PRO 9 Ca 0.00 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 2dqi n PRO 9 Cb 0.00 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 30.97 2dqi n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dqi n SER 10 N 0.23 0.46 -3.97 3.54 3.41 -1.26 -4.82 113.62 111.21 2dqi n SER 10 Ca 0.06 -0.28 -0.26 0.00 -0.26 0.00 0.00 58.87 58.13 2dqi n SER 10 Cb 0.39 1.33 -0.17 0.00 -0.26 0.00 0.00 64.21 65.51 2dqi n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dqi s LEU 11 N -4.04 1.45 0.12 1.04 2.96 -1.26 -0.04 118.68 118.91 2dqi s LEU 11 Ca -0.00 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2dqi s LEU 11 Cb 0.14 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2dqi s LEU 11 CO 0.86 -0.04 -0.09 0.68 -1.32 0.00 0.00 176.35 176.44 2dqi s VAL 12 N 1.20 0.96 0.21 1.68 -7.23 -0.07 -4.96 120.40 112.18 2dqi s VAL 12 Ca -0.04 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 2dqi s VAL 12 Cb -0.14 -1.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.05 2dqi s VAL 12 CO -0.03 -0.75 0.48 -0.54 -0.31 0.00 0.00 175.10 173.95 2dqi s LYS 13 N -3.58 3.69 0.50 4.82 -0.14 -1.26 -1.12 119.74 122.66 2dqi s LYS 13 Ca 0.13 0.07 -0.23 0.00 -1.36 0.00 0.00 55.97 54.57 2dqi s LYS 13 Cb 0.02 -2.73 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 2dqi s LYS 13 CO -0.01 0.36 1.40 -2.14 -0.76 0.00 0.00 175.35 174.20 2dqi s PRO 14 N -2.90 3.38 0.00 -1.68 0.02 -1.26 -2.38 135.00 130.18 2dqi s PRO 14 Ca 0.44 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2dqi s PRO 14 Cb -0.11 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2dqi s PRO 14 CO 0.24 -1.03 0.00 0.45 -0.33 0.00 0.00 177.00 176.33 2dqi n SER 15 N -0.65 0.00 -4.47 2.53 2.88 0.58 -4.91 113.62 109.57 2dqi n SER 15 Ca 0.08 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.35 2dqi n SER 15 Cb 0.43 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.03 2dqi n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dqi s GLN 16 N -0.06 1.29 -0.23 -1.46 -2.07 -1.00 -3.84 119.66 112.28 2dqi s GLN 16 Ca 0.00 -0.67 -0.12 0.00 -1.82 0.00 0.00 55.36 52.75 2dqi s GLN 16 Cb 0.00 -2.09 -0.05 0.00 -1.09 0.00 0.00 33.01 29.79 2dqi s GLN 16 CO 0.00 -1.86 0.24 0.99 -1.32 0.00 0.00 175.29 173.35 2dqi s THR 17 N -3.50 5.30 -0.18 3.63 2.01 -1.26 -1.93 115.64 119.72 2dqi s THR 17 Ca 0.69 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.85 2dqi s THR 17 Cb -0.05 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2dqi s THR 17 CO 0.48 0.31 0.62 -0.22 -0.69 0.00 0.00 174.62 175.12 2dqi s LEU 18 N 1.17 4.17 -0.03 4.42 0.20 0.75 -4.89 118.68 124.47 2dqi s LEU 18 Ca 0.12 0.86 0.04 0.00 0.69 0.00 0.00 54.13 55.83 2dqi s LEU 18 Cb -0.14 -2.88 -0.00 0.00 -0.43 0.00 0.00 46.19 42.73 2dqi s LEU 18 CO 0.06 -0.23 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.30 2dqi s SER 19 N 1.11 1.89 0.10 3.68 0.01 -1.26 -0.22 113.70 119.01 2dqi s SER 19 Ca 0.29 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.28 2dqi s SER 19 Cb -0.16 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2dqi s SER 19 CO 0.11 0.14 -0.09 -0.76 0.41 0.00 0.00 173.24 173.05 2dqi s LEU 20 N 0.02 2.43 -0.04 2.44 1.43 -0.15 -4.41 118.68 120.40 2dqi s LEU 20 Ca -0.02 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.27 2dqi s LEU 20 Cb -0.10 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 2dqi s LEU 20 CO 0.01 -0.31 -0.19 -0.89 0.23 0.00 0.00 176.35 175.20 2dqi s THR 21 N -2.72 1.59 -0.22 5.49 2.01 0.13 -1.43 115.64 120.49 2dqi s THR 21 Ca 0.07 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2dqi s THR 21 Cb -0.01 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.15 2dqi s THR 21 CO -0.01 0.45 -0.06 0.00 -0.69 0.00 0.00 174.62 174.31 2dqi s SER 23 N 1.43 6.18 -0.21 0.00 0.01 0.38 -2.03 113.70 119.47 2dqi s SER 23 Ca 0.05 0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 2dqi s SER 23 Cb -0.15 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2dqi s SER 23 CO -0.04 -0.03 0.13 -0.69 0.41 0.00 0.00 173.24 173.01 2dqi s VAL 24 N 1.45 5.33 0.01 3.43 1.01 -0.68 -1.84 120.40 129.11 2dqi s VAL 24 Ca 0.11 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2dqi s VAL 24 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2dqi s VAL 24 CO 0.08 0.41 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 2dqi s THR 25 N 0.58 1.57 0.00 3.92 2.01 -0.21 -4.78 115.64 118.73 2dqi s THR 25 Ca 0.07 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2dqi s THR 25 Cb -0.12 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2dqi s THR 25 CO 0.00 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 2dqi n GLY 26 N 2.22 2.09 3.69 4.40 0.00 -1.25 0.06 105.19 116.40 2dqi n GLY 26 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2dqi n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dqi s ASP 27 N -1.52 -0.15 0.17 1.61 -1.08 -1.26 -4.53 116.67 109.91 2dqi s ASP 27 Ca 0.00 -0.28 -0.21 0.00 -0.52 0.00 0.00 52.55 51.54 2dqi s ASP 27 Cb 0.00 0.36 -0.08 0.00 -1.46 0.00 0.00 42.92 41.75 2dqi s ASP 27 CO 0.00 -0.67 0.70 -0.55 0.52 0.00 0.00 175.17 175.17 2dqi s SER 28 N -2.90 7.16 0.34 -0.34 0.15 -1.26 -4.95 113.70 111.90 2dqi s SER 28 Ca 0.12 1.45 0.26 0.00 0.70 0.00 0.00 55.95 58.48 2dqi s SER 28 Cb 0.01 -2.43 1.14 0.00 -1.71 0.00 0.00 66.02 63.03 2dqi s SER 28 CO -0.01 0.15 1.79 0.16 1.20 0.00 0.00 173.24 176.53 2dqi h ILE 29 N 3.11 0.00 0.00 6.45 3.07 -1.92 -2.13 117.51 126.09 2dqi h ILE 29 Ca -0.48 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2dqi h ILE 29 Cb 1.20 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2dqi h ILE 29 CO 0.65 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.10 2dqi n THR 30 N -2.44 0.07 -1.02 0.16 -2.24 -1.26 -3.05 114.28 104.50 2dqi n THR 30 Ca 0.01 0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 2dqi n THR 30 Cb 0.22 -0.65 0.28 0.00 -2.10 0.00 0.00 70.33 68.08 2dqi n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dqi n SER 31 N -1.07 4.13 -3.49 3.42 7.64 -0.80 -5.01 113.62 118.43 2dqi n SER 31 Ca 0.16 -3.08 -0.04 0.00 1.01 0.00 0.00 58.87 56.92 2dqi n SER 31 Cb 0.11 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2dqi n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqi s ASP 32 N -1.75 -0.08 0.09 6.43 -1.08 -1.17 -5.06 116.67 114.05 2dqi s ASP 32 Ca 0.45 -0.62 0.02 0.00 -0.52 0.00 0.00 52.55 51.88 2dqi s ASP 32 Cb 0.37 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 42.34 2dqi s ASP 32 CO 0.10 -1.06 0.19 -0.31 0.52 0.00 0.00 175.17 174.61 2dqi s TYR 33 N -2.73 3.41 -0.05 -5.34 1.51 -1.26 -4.44 117.35 108.45 2dqi s TYR 33 Ca 0.16 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 2dqi s TYR 33 Cb -0.02 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 2dqi s TYR 33 CO 0.05 0.55 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.36 2dqi s TRP 34 N -1.55 1.27 0.38 2.71 0.52 -0.53 -1.64 118.94 120.10 2dqi s TRP 34 Ca 0.33 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.11 2dqi s TRP 34 Cb -0.12 -0.94 -0.07 0.00 -1.15 0.00 0.00 33.47 31.19 2dqi s TRP 34 CO 0.26 -0.22 -0.02 -1.12 0.02 0.00 0.00 176.95 175.88 2dqi s SER 35 N 0.56 3.67 -0.04 2.95 0.01 -0.18 -0.78 113.70 119.89 2dqi s SER 35 Ca -0.11 -1.31 0.02 0.00 1.31 0.00 0.00 55.95 55.86 2dqi s SER 35 Cb -0.14 -0.35 0.01 0.00 0.21 0.00 0.00 66.02 65.75 2dqi s SER 35 CO 0.02 -0.39 -0.09 0.26 0.41 0.00 0.00 173.24 173.45 2dqi s TRP 36 N -2.74 1.05 0.04 2.43 0.52 -0.63 -2.10 118.94 117.51 2dqi s TRP 36 Ca 0.34 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.19 2dqi s TRP 36 Cb 0.07 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 2dqi s TRP 36 CO 0.17 -0.14 -0.08 0.42 0.02 0.00 0.00 176.95 177.33 2dqi s ILE 37 N 0.36 0.61 0.04 2.03 1.09 0.13 -1.35 121.20 124.11 2dqi s ILE 37 Ca -0.06 -0.93 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 2dqi s ILE 37 Cb -0.11 -0.63 -0.02 0.00 -1.06 0.00 0.00 42.46 40.64 2dqi s ILE 37 CO 0.01 -0.24 -0.09 0.00 -0.10 0.00 0.00 174.94 174.52 2dqi s ARG 38 N -1.28 0.58 -0.17 2.79 1.70 -0.75 0.71 118.95 122.53 2dqi s ARG 38 Ca -0.06 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2dqi s ARG 38 Cb -0.08 -0.40 0.01 0.00 -0.57 0.00 0.00 34.95 33.90 2dqi s ARG 38 CO 0.01 0.08 -0.17 0.21 -1.08 0.00 0.00 175.30 174.35 2dqi s LYS 39 N -1.47 3.12 0.63 3.89 2.20 0.41 -1.16 119.74 127.34 2dqi s LYS 39 Ca -0.07 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 2dqi s LYS 39 Cb -0.09 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2dqi s LYS 39 CO 0.01 -0.12 0.95 -0.06 -0.36 0.00 0.00 175.35 175.77 2dqi s PHE 40 N 1.12 3.24 -0.46 4.03 0.08 -0.16 -1.17 117.98 124.66 2dqi s PHE 40 Ca 0.01 0.71 -0.28 0.00 0.12 0.00 0.00 56.93 57.49 2dqi s PHE 40 Cb -0.14 -2.85 -0.02 0.00 -0.57 0.00 0.00 43.02 39.44 2dqi s PHE 40 CO -0.06 -0.95 1.82 -2.14 -0.10 0.00 0.00 175.22 173.78 2dqi s PRO 41 N -5.09 3.01 0.00 0.24 0.02 -1.26 -3.14 135.00 128.77 2dqi s PRO 41 Ca 0.55 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2dqi s PRO 41 Cb -0.11 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.13 2dqi s PRO 41 CO 0.46 -2.26 0.00 0.41 -0.33 0.00 0.00 177.00 175.29 2dqi n GLY 42 N 5.53 -0.29 2.50 0.52 0.00 -1.26 -4.84 105.19 107.35 2dqi n GLY 42 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 2dqi n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dqi n ASN 43 N 0.00 -4.61 -4.41 1.61 3.02 -1.19 -5.00 115.26 104.68 2dqi n ASN 43 Ca 0.00 -0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 2dqi n ASN 43 Cb 0.00 -3.57 -0.12 0.00 -0.61 0.00 0.00 39.78 35.48 2dqi n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2dqi s ARG 44 N -5.13 3.28 -0.12 3.52 3.52 -1.25 -4.99 118.95 117.78 2dqi s ARG 44 Ca 0.14 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 54.91 2dqi s ARG 44 Cb -0.06 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2dqi s ARG 44 CO 0.17 -0.42 0.17 -0.51 -0.81 0.00 0.00 175.30 173.91 2dqi s LEU 45 N 1.58 4.37 -0.08 -0.88 1.43 -1.26 -0.99 118.68 122.85 2dqi s LEU 45 Ca 0.04 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2dqi s LEU 45 Cb -0.17 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.93 2dqi s LEU 45 CO 0.05 0.35 -0.06 -0.70 0.23 0.00 0.00 176.35 176.22 2dqi s GLU 46 N -0.77 1.20 -0.35 1.70 2.12 -0.31 -5.02 118.70 117.27 2dqi s GLU 46 Ca 0.15 -0.17 -0.26 0.00 0.36 0.00 0.00 54.97 55.04 2dqi s GLU 46 Cb -0.12 -1.24 0.01 0.00 0.26 0.00 0.00 34.13 33.04 2dqi s GLU 46 CO 0.04 -0.17 0.93 -0.47 -0.54 0.00 0.00 175.26 175.06 2dqi s TYR 47 N 1.35 3.10 0.04 5.30 6.14 -1.26 -1.80 117.35 130.22 2dqi s TYR 47 Ca -0.03 0.85 -0.16 0.00 0.64 0.00 0.00 57.07 58.37 2dqi s TYR 47 Cb -0.14 -3.60 -0.30 0.00 0.42 0.00 0.00 41.96 38.34 2dqi s TYR 47 CO -0.03 -0.79 1.07 0.52 0.64 0.00 0.00 175.55 176.96 2dqi h MET 48 N 8.37 0.58 0.00 4.97 2.86 -1.58 -3.41 114.93 126.73 2dqi h MET 48 Ca -0.23 -0.82 0.00 0.00 -2.06 0.00 0.00 59.70 56.59 2dqi h MET 48 Cb 1.08 0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2dqi h MET 48 CO 0.98 1.37 0.00 0.41 1.06 0.00 0.00 176.91 180.73 2dqi n GLY 49 N 1.45 -2.34 3.45 8.32 0.00 -1.16 -0.90 105.19 114.01 2dqi n GLY 49 Ca -0.14 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 2dqi n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dqi s TYR 50 N -1.93 -0.01 -0.12 1.61 1.13 -0.53 -1.60 117.35 115.89 2dqi s TYR 50 Ca 0.00 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.35 2dqi s TYR 50 Cb 0.00 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.14 2dqi s TYR 50 CO 0.00 -0.84 -0.20 0.54 -2.51 0.00 0.00 175.55 172.54 2dqi s VAL 51 N -3.88 1.87 0.60 -3.49 0.11 0.04 -1.74 120.40 113.91 2dqi s VAL 51 Ca 0.10 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2dqi s VAL 51 Cb 0.00 -1.66 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 2dqi s VAL 51 CO -0.04 0.51 0.84 -0.94 -3.33 0.00 0.00 175.10 172.15 2dqi s SER 52 N 0.73 4.94 0.36 3.54 1.04 -0.45 -1.45 113.70 122.42 2dqi s SER 52 Ca -0.10 -0.31 0.12 0.00 0.48 0.00 0.00 55.95 56.14 2dqi s SER 52 Cb -0.16 -0.36 0.93 0.00 0.10 0.00 0.00 66.02 66.53 2dqi s SER 52 CO 0.01 -1.40 1.79 0.10 0.98 0.00 0.00 173.24 174.72 2dqi h TYR 53 N -0.08 0.82 0.00 5.02 -0.00 -1.88 0.24 116.97 121.09 2dqi h TYR 53 Ca -0.38 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 2dqi h TYR 53 Cb 1.28 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.77 2dqi h TYR 53 CO 0.18 0.16 0.00 -1.13 -0.00 0.00 0.00 178.16 177.36 2dqi n SER 54 N -4.67 0.00 0.00 0.10 3.41 -1.26 -4.84 113.62 106.36 2dqi n SER 54 Ca 0.23 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 2dqi n SER 54 Cb 0.70 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2dqi n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dqi n GLY 55 N 0.53 0.66 3.77 5.00 0.00 0.83 -5.05 105.19 110.93 2dqi n GLY 55 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2dqi n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqi s SER 56 N -2.79 5.68 0.17 1.61 1.04 -1.26 -4.76 113.70 113.39 2dqi s SER 56 Ca 0.00 2.29 0.08 0.00 0.48 0.00 0.00 55.95 58.80 2dqi s SER 56 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2dqi s SER 56 CO 0.00 -1.25 -0.16 0.42 0.98 0.00 0.00 173.24 173.23 2dqi s THR 57 N -1.65 1.66 -0.09 2.02 -4.23 -1.26 -1.33 115.64 110.75 2dqi s THR 57 Ca 0.72 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 2dqi s THR 57 Cb -0.27 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.76 2dqi s THR 57 CO 0.31 -0.44 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.60 2dqi s TYR 58 N -2.39 1.12 0.02 3.99 2.02 -0.71 -5.01 117.35 116.40 2dqi s TYR 58 Ca 0.16 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 2dqi s TYR 58 Cb -0.04 -1.03 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 2dqi s TYR 58 CO 0.06 -0.42 -0.23 0.71 -1.57 0.00 0.00 175.55 174.10 2dqi s TYR 59 N 1.75 2.42 0.00 2.71 2.02 -1.26 -1.46 117.35 123.53 2dqi s TYR 59 Ca 0.04 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 2dqi s TYR 59 Cb -0.13 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2dqi s TYR 59 CO -0.06 0.13 1.43 1.21 -1.57 0.00 0.00 175.55 176.69 2dqi s ASN 60 N -1.12 6.82 0.66 2.29 3.84 -0.07 -4.87 114.94 122.48 2dqi s ASN 60 Ca 0.12 2.14 0.34 0.00 0.21 0.00 0.00 52.86 55.68 2dqi s ASN 60 Cb -0.10 -2.56 1.87 0.00 -0.55 0.00 0.00 41.25 39.91 2dqi s ASN 60 CO 0.02 -0.74 2.07 -0.65 -2.79 0.00 0.00 177.10 175.01 2dqi h PRO 61 N 7.96 0.00 0.00 0.43 0.11 -1.94 -0.89 132.00 137.66 2dqi h PRO 61 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2dqi h PRO 61 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2dqi h PRO 61 CO 0.91 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 179.32 2dqi h SER 62 N 0.00 0.00 0.28 -2.05 4.64 -1.97 -0.63 113.55 113.82 2dqi h SER 62 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2dqi h SER 62 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2dqi h SER 62 CO -0.00 0.04 -0.02 0.18 -0.87 0.00 0.00 176.83 176.17 2dqi n LEU 63 N -3.40 0.13 -3.99 5.97 4.77 -0.34 -4.93 117.00 115.21 2dqi n LEU 63 Ca -0.02 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.74 2dqi n LEU 63 Cb 0.17 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2dqi n LEU 63 CO 0.26 0.02 0.04 0.29 -1.33 0.00 0.00 177.39 176.67 2dqi n LYS 64 N -1.06 -4.71 -3.04 3.23 4.76 -0.24 -2.25 118.16 114.84 2dqi n LYS 64 Ca 0.19 0.53 -0.23 0.00 -2.87 0.00 0.00 58.31 55.93 2dqi n LYS 64 Cb 0.20 -5.30 0.03 0.00 -1.84 0.00 0.00 35.03 28.12 2dqi n LYS 64 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dqi n SER 65 N -2.81 -5.97 -0.65 4.39 2.88 -1.26 -4.87 113.62 105.32 2dqi n SER 65 Ca 0.00 -0.29 0.09 0.00 -1.33 0.00 0.00 58.87 57.34 2dqi n SER 65 Cb 0.54 -4.83 0.06 0.00 -0.75 0.00 0.00 64.21 59.23 2dqi n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dqi n ARG 66 N -4.02 1.49 -4.13 -1.46 1.74 -0.95 -5.00 116.66 104.34 2dqi n ARG 66 Ca -0.11 -1.43 -0.32 0.00 -0.77 0.00 0.00 57.85 55.22 2dqi n ARG 66 Cb 0.62 -1.33 -0.07 0.00 -1.02 0.00 0.00 32.46 30.65 2dqi n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2dqi s ILE 67 N -1.56 4.42 -0.02 0.55 2.07 -1.26 -0.65 121.20 124.75 2dqi s ILE 67 Ca 0.20 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 2dqi s ILE 67 Cb 0.15 -3.06 0.02 0.00 0.13 0.00 0.00 42.46 39.70 2dqi s ILE 67 CO 0.26 0.24 0.01 -0.55 -1.91 0.00 0.00 174.94 172.99 2dqi s SER 68 N -2.02 0.18 -0.15 4.50 0.15 0.06 -4.98 113.70 111.44 2dqi s SER 68 Ca 0.25 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.92 2dqi s SER 68 Cb -0.12 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 2dqi s SER 68 CO 0.17 -0.10 -0.19 -0.63 1.20 0.00 0.00 173.24 173.69 2dqi s ILE 69 N 0.89 1.90 0.31 6.45 1.01 -1.26 -0.78 121.20 129.72 2dqi s ILE 69 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2dqi s ILE 69 Cb -0.11 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2dqi s ILE 69 CO -0.02 0.52 0.10 0.42 0.00 0.00 0.00 174.94 175.95 2dqi s THR 70 N 1.11 0.73 0.18 2.92 -4.23 -1.10 -4.95 115.64 110.30 2dqi s THR 70 Ca -0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2dqi s THR 70 Cb -0.14 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 2dqi s THR 70 CO -0.07 0.00 0.04 -0.13 -0.54 0.00 0.00 174.62 173.92 2dqi s ARG 71 N -3.91 1.11 -0.29 3.99 0.52 -1.26 0.36 118.95 119.48 2dqi s ARG 71 Ca 0.35 -1.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.00 2dqi s ARG 71 Cb 0.07 -0.09 0.13 0.00 0.52 0.00 0.00 34.95 35.58 2dqi s ARG 71 CO 0.15 -0.21 0.26 0.34 0.02 0.00 0.00 175.30 175.86 2dqi s ASP 72 N -3.16 2.01 0.20 0.23 -1.08 -0.28 -4.96 116.67 109.63 2dqi s ASP 72 Ca 0.27 -0.83 -0.11 0.00 -0.52 0.00 0.00 52.55 51.36 2dqi s ASP 72 Cb 0.07 0.34 0.13 0.00 -1.46 0.00 0.00 42.92 42.00 2dqi s ASP 72 CO 0.05 -0.40 1.84 0.74 0.52 0.00 0.00 175.17 177.93 2dqi h THR 73 N 6.29 1.20 -0.03 1.71 2.02 -1.97 -0.87 112.91 121.27 2dqi h THR 73 Ca -0.15 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2dqi h THR 73 Cb 1.07 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2dqi h THR 73 CO 0.35 0.21 0.04 0.77 0.37 0.00 0.00 175.52 177.25 2dqi h SER 74 N 0.97 0.00 -0.01 4.18 4.64 -1.96 -0.78 113.55 120.59 2dqi h SER 74 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2dqi h SER 74 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2dqi h SER 74 CO -0.05 0.00 -0.35 0.29 -0.87 0.00 0.00 176.83 175.85 2dqi n LYS 75 N -3.75 1.71 -3.66 4.77 5.02 -0.97 -5.00 118.16 116.27 2dqi n LYS 75 Ca -0.02 -0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 55.29 2dqi n LYS 75 Cb 0.12 -1.26 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2dqi n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2dqi n ASN 76 N -0.19 -2.09 -3.86 4.39 4.05 -0.30 -4.83 115.26 112.43 2dqi n ASN 76 Ca 0.06 -0.83 -0.10 0.00 0.45 0.00 0.00 54.58 54.16 2dqi n ASN 76 Cb 0.33 -4.07 -0.06 0.00 1.23 0.00 0.00 39.78 37.21 2dqi n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dqi s GLN 77 N -5.85 1.15 0.22 1.20 -2.07 -1.06 -1.68 119.66 111.57 2dqi s GLN 77 Ca 0.10 -1.02 0.03 0.00 -1.82 0.00 0.00 55.36 52.65 2dqi s GLN 77 Cb -0.03 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 2dqi s GLN 77 CO 0.81 -0.43 0.00 1.52 -1.32 0.00 0.00 175.29 175.87 2dqi s TYR 78 N -3.91 1.48 0.22 9.60 1.13 -0.86 -1.13 117.35 123.88 2dqi s TYR 78 Ca 0.12 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 54.86 2dqi s TYR 78 Cb 0.02 -0.85 -0.05 0.00 -1.10 0.00 0.00 41.96 39.98 2dqi s TYR 78 CO -0.04 -0.10 -0.03 0.71 -2.51 0.00 0.00 175.55 173.58 2dqi s TYR 79 N -3.49 1.54 -0.06 -3.49 2.02 0.16 -1.24 117.35 112.77 2dqi s TYR 79 Ca 0.28 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2dqi s TYR 79 Cb 0.06 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 2dqi s TYR 79 CO 0.08 0.02 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.83 2dqi s LEU 80 N -3.29 1.44 -0.06 -1.29 2.96 -0.52 -2.70 118.68 115.22 2dqi s LEU 80 Ca 0.26 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2dqi s LEU 80 Cb 0.05 -0.66 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 2dqi s LEU 80 CO 0.07 -0.02 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.08 2dqi s ASP 81 N 0.91 2.45 -0.21 3.68 1.01 0.04 -0.98 116.67 123.58 2dqi s ASP 81 Ca -0.11 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.72 2dqi s ASP 81 Cb -0.15 -0.86 0.06 0.00 1.01 0.00 0.00 42.92 42.99 2dqi s ASP 81 CO 0.01 0.15 0.03 -0.22 0.21 0.00 0.00 175.17 175.34 2dqi s LEU 82 N 0.18 1.44 0.57 1.23 2.96 0.70 -0.76 118.68 125.00 2dqi s LEU 82 Ca -0.09 -0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 52.77 2dqi s LEU 82 Cb -0.14 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 2dqi s LEU 82 CO 0.04 -0.30 1.00 0.20 -1.32 0.00 0.00 176.35 175.96 2dqi s ASN 83 N 1.78 6.36 -1.21 3.68 0.01 0.18 -0.18 114.94 125.56 2dqi s ASN 83 Ca -0.01 1.43 -0.35 0.00 -0.71 0.00 0.00 52.86 53.22 2dqi s ASN 83 Cb -0.17 -2.47 0.05 0.00 0.41 0.00 0.00 41.25 39.07 2dqi s ASN 83 CO -0.09 -0.75 0.68 -1.20 -1.51 0.00 0.00 177.10 174.23 2dqi n SER 84 N -2.32 -4.15 -4.78 -1.22 7.64 -1.02 -4.91 113.62 102.87 2dqi n SER 84 Ca 0.06 -1.30 -0.32 0.00 1.01 0.00 0.00 58.87 58.32 2dqi n SER 84 Cb 0.54 -1.65 0.07 0.00 -1.01 0.00 0.00 64.21 62.16 2dqi n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dqi s VAL 85 N -3.52 3.43 0.33 0.44 -7.23 -0.81 -4.59 120.40 108.45 2dqi s VAL 85 Ca 0.49 0.54 0.04 0.00 -1.81 0.00 0.00 61.98 61.24 2dqi s VAL 85 Cb -0.27 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2dqi s VAL 85 CO 0.97 -0.54 0.16 0.42 -0.31 0.00 0.00 175.10 175.80 2dqi s THR 86 N -2.72 0.41 -0.03 5.32 -4.23 -1.26 -0.31 115.64 112.81 2dqi s THR 86 Ca 0.63 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.37 2dqi s THR 86 Cb -0.18 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.41 2dqi s THR 86 CO 0.50 0.00 1.71 0.71 -0.54 0.00 0.00 174.62 177.00 2dqi h THR 87 N 2.10 0.00 0.00 3.99 1.35 -1.98 0.17 112.91 118.54 2dqi h THR 87 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2dqi h THR 87 Cb 1.25 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2dqi h THR 87 CO 0.53 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.18 2dqi n GLU 88 N -2.35 0.09 -0.12 4.72 -0.58 -1.26 -2.63 120.64 118.50 2dqi n GLU 88 Ca -0.02 0.21 0.12 0.00 -0.42 0.00 0.00 57.16 57.06 2dqi n GLU 88 Cb 0.09 -1.64 0.26 0.00 -0.57 0.00 0.00 31.44 29.58 2dqi n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dqi n ASP 89 N -1.80 2.78 -4.70 1.62 8.00 0.59 -4.89 116.55 118.14 2dqi n ASP 89 Ca 0.04 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.23 2dqi n ASP 89 Cb 0.27 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2dqi n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dqi s THR 90 N -1.69 3.68 -0.05 -3.53 2.01 -1.08 -4.85 115.64 110.13 2dqi s THR 90 Ca 0.35 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 2dqi s THR 90 Cb 0.21 -3.74 0.11 0.00 0.01 0.00 0.00 72.50 69.08 2dqi s THR 90 CO 0.30 0.06 1.34 0.00 -0.69 0.00 0.00 174.62 175.62 2dqi s ALA 91 N 1.55 -2.55 -0.34 7.40 0.00 -0.88 -4.65 121.76 122.29 2dqi s ALA 91 Ca 0.62 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 2dqi s ALA 91 Cb -0.33 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2dqi s ALA 91 CO 0.28 -1.14 0.29 0.99 0.00 0.00 0.00 175.76 176.19 2dqi s THR 92 N -2.06 5.24 -0.12 0.00 2.01 -0.31 -1.02 115.64 119.37 2dqi s THR 92 Ca 0.26 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2dqi s THR 92 Cb 0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2dqi s THR 92 CO -0.03 -0.03 0.40 -0.31 -0.69 0.00 0.00 174.62 173.96 2dqi s TYR 93 N 1.86 3.53 0.06 4.92 1.51 -0.14 -0.45 117.35 128.63 2dqi s TYR 93 Ca 0.09 0.80 0.07 0.00 -1.01 0.00 0.00 57.07 57.01 2dqi s TYR 93 Cb -0.17 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 2dqi s TYR 93 CO 0.11 0.27 -0.19 0.71 -1.11 0.00 0.00 175.55 175.34 2dqi s TYR 94 N 0.31 1.65 0.00 2.71 1.51 0.22 -0.79 117.35 122.97 2dqi s TYR 94 Ca 0.22 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2dqi s TYR 94 Cb -0.15 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 2dqi s TYR 94 CO 0.08 0.10 -0.08 0.00 -1.11 0.00 0.00 175.55 174.55 2dqi s ALA 96 N -0.97 -0.96 0.72 0.00 0.00 -0.89 -0.38 121.76 119.28 2dqi s ALA 96 Ca 0.16 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 2dqi s ALA 96 Cb -0.11 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.50 2dqi s ALA 96 CO 0.07 -0.52 1.07 0.54 0.00 0.00 0.00 175.76 176.92 2dqi s ASN 97 N -2.29 5.21 0.27 0.00 6.03 -0.57 -1.01 114.94 122.58 2dqi s ASN 97 Ca -0.02 1.45 -0.00 0.00 -1.03 0.00 0.00 52.86 53.25 2dqi s ASN 97 Cb 0.00 -2.29 0.60 0.00 -3.03 0.00 0.00 41.25 36.53 2dqi s ASN 97 CO -0.06 -1.53 1.69 -0.25 -2.03 0.00 0.00 177.10 174.92 2dqi h TRP 98 N -0.78 0.45 -0.00 1.54 7.01 -1.65 -1.31 115.95 121.21 2dqi h TRP 98 Ca -0.45 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.59 2dqi h TRP 98 Cb 1.23 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2dqi h TRP 98 CO 0.56 -0.08 -0.11 -3.47 -2.79 0.00 0.00 178.44 172.56 2dqi n ASP 99 N -5.11 0.13 0.00 2.65 4.64 -1.26 -4.94 116.55 112.66 2dqi n ASP 99 Ca 0.18 0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.81 2dqi n ASP 99 Cb 0.57 -0.30 0.00 0.00 -1.04 0.00 0.00 41.12 40.35 2dqi n ASP 99 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2dqi n GLY 100 N 1.46 0.69 0.16 0.27 0.00 -0.50 -4.95 105.19 102.34 2dqi n GLY 100 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2dqi n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dqi h ASP 101 N 0.00 0.00 -3.31 1.61 3.32 -1.92 -3.43 116.42 112.68 2dqi h ASP 101 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2dqi h ASP 101 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.21 2dqi h ASP 101 CO 0.00 0.48 -0.83 -0.31 -1.72 0.00 0.00 179.24 176.86 2dqi s TYR 102 N -3.53 1.82 0.09 4.55 2.02 -1.26 -5.04 117.35 116.00 2dqi s TYR 102 Ca -0.00 -0.80 0.07 0.00 -0.37 0.00 0.00 57.07 55.97 2dqi s TYR 102 Cb 0.11 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 2dqi s TYR 102 CO 0.72 -0.41 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.52 2dqi s TRP 103 N 0.89 1.55 0.91 2.71 0.52 -1.26 -1.50 118.94 122.75 2dqi s TRP 103 Ca -0.09 -0.43 -0.15 0.00 0.02 0.00 0.00 56.10 55.44 2dqi s TRP 103 Cb -0.15 -0.86 0.21 0.00 -1.15 0.00 0.00 33.47 31.52 2dqi s TRP 103 CO 0.00 0.14 1.22 0.41 0.02 0.00 0.00 176.95 178.75 2dqi n GLY 104 N 1.17 -1.52 0.07 0.98 0.00 0.49 -4.48 105.19 101.91 2dqi n GLY 104 Ca -0.20 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.25 2dqi n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dqi n GLN 105 N -3.62 0.18 0.00 1.61 10.64 -1.26 -4.84 117.38 120.08 2dqi n GLN 105 Ca 0.15 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.47 2dqi n GLN 105 Cb 0.53 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 2dqi n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dqi n GLY 106 N 1.37 -1.77 2.77 2.61 0.00 -1.26 -5.05 105.19 103.87 2dqi n GLY 106 Ca 0.06 -1.34 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 2dqi n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dqi s THR 107 N -2.78 0.07 -0.09 2.61 -1.32 0.03 -4.93 115.64 109.24 2dqi s THR 107 Ca 0.00 0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 2dqi s THR 107 Cb 0.00 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.74 2dqi s THR 107 CO 0.00 0.15 1.18 -0.22 -2.21 0.00 0.00 174.62 173.52 2dqi s LEU 108 N 1.38 4.25 -0.19 9.08 2.96 -1.26 -0.96 118.68 133.93 2dqi s LEU 108 Ca -0.05 1.74 -0.01 0.00 -0.22 0.00 0.00 54.13 55.59 2dqi s LEU 108 Cb -0.13 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2dqi s LEU 108 CO -0.03 -0.60 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.57 2dqi s VAL 109 N 2.44 2.54 -0.17 1.68 1.01 -0.19 -4.60 120.40 123.12 2dqi s VAL 109 Ca 0.54 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2dqi s VAL 109 Cb -0.23 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2dqi s VAL 109 CO 0.19 0.50 0.02 -0.89 0.00 0.00 0.00 175.10 174.92 2dqi s THR 110 N 1.35 4.37 -0.35 3.92 2.01 0.94 -2.07 115.64 125.80 2dqi s THR 110 Ca 0.05 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 2dqi s THR 110 Cb -0.13 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2dqi s THR 110 CO -0.09 0.48 0.22 -0.69 -0.69 0.00 0.00 174.62 173.85 2dqi s VAL 111 N 0.33 4.96 -0.04 3.82 1.01 -1.26 -0.89 120.40 128.34 2dqi s VAL 111 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2dqi s VAL 111 Cb -0.13 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2dqi s VAL 111 CO 0.01 -0.09 0.22 -0.55 0.00 0.00 0.00 175.10 174.70 2dqi s SER 112 N 1.65 -0.14 0.61 3.32 0.15 -0.27 -4.49 113.70 114.53 2dqi s SER 112 Ca 0.05 0.16 0.38 0.00 0.70 0.00 0.00 55.95 57.23 2dqi s SER 112 Cb -0.18 0.35 1.96 0.00 -1.71 0.00 0.00 66.02 66.44 2dqi s SER 112 CO 0.09 -0.27 2.22 0.00 1.20 0.00 0.00 173.24 176.47 2dqi h ALA 113 N 4.79 1.08 -0.01 5.45 0.00 -1.96 -3.38 119.26 125.23 2dqi h ALA 113 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dqi h ALA 113 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dqi h ALA 113 CO 0.38 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.66