#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqj s VAL 2 N 0.00 5.07 -0.01 2.53 1.01 -1.26 -3.99 120.40 123.74 2dqj s VAL 2 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.80 2dqj s VAL 2 Cb 0.00 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dqj s VAL 2 CO 0.00 0.57 -0.07 -1.10 0.00 0.00 0.00 175.10 174.50 2dqj s GLN 3 N -0.98 0.69 0.07 2.72 -0.21 0.97 -4.98 119.66 117.93 2dqj s GLN 3 Ca 0.23 -0.25 0.08 0.00 0.02 0.00 0.00 55.36 55.44 2dqj s GLN 3 Cb -0.16 -0.67 -0.03 0.00 1.00 0.00 0.00 33.01 33.15 2dqj s GLN 3 CO 0.12 0.12 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.69 2dqj s LEU 4 N 0.04 2.22 -0.22 2.90 1.02 -1.26 -0.70 118.68 122.68 2dqj s LEU 4 Ca -0.00 -0.59 -0.11 0.00 0.02 0.00 0.00 54.13 53.45 2dqj s LEU 4 Cb -0.05 -0.98 0.08 0.00 0.02 0.00 0.00 46.19 45.25 2dqj s LEU 4 CO -0.00 0.14 0.52 -1.58 0.02 0.00 0.00 176.35 175.44 2dqj s GLN 5 N -1.46 0.50 0.31 1.70 0.74 -0.91 -4.35 119.66 116.19 2dqj s GLN 5 Ca 0.08 1.02 -0.15 0.00 0.05 0.00 0.00 55.36 56.36 2dqj s GLN 5 Cb -0.09 0.16 -0.09 0.00 1.10 0.00 0.00 33.01 34.08 2dqj s GLN 5 CO 0.03 -0.17 0.72 -1.21 -0.55 0.00 0.00 175.29 174.10 2dqj s GLU 6 N 1.78 3.99 0.02 1.67 8.01 -1.26 -1.25 118.70 131.67 2dqj s GLU 6 Ca -0.08 0.64 -0.16 0.00 0.01 0.00 0.00 54.97 55.38 2dqj s GLU 6 Cb -0.08 -2.47 0.03 0.00 -4.31 0.00 0.00 34.13 27.30 2dqj s GLU 6 CO -0.16 0.18 0.35 -1.54 0.01 0.00 0.00 175.26 174.10 2dqj s SER 7 N -2.26 -0.21 0.00 -0.19 1.04 0.06 -4.98 113.70 107.16 2dqj s SER 7 Ca 0.53 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2dqj s SER 7 Cb -0.11 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2dqj s SER 7 CO 0.18 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2dqj n GLY 8 N 0.80 2.41 3.75 7.32 0.00 -1.26 -0.78 105.19 117.42 2dqj n GLY 8 Ca -0.20 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2dqj n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dqj n PRO 9 N -1.80 2.27 0.00 1.61 -0.04 -1.26 -4.93 135.00 130.85 2dqj n PRO 9 Ca 0.00 0.80 0.10 0.00 -0.04 0.00 0.00 63.50 64.37 2dqj n PRO 9 Cb 0.00 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 30.85 2dqj n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dqj n SER 10 N 0.11 0.86 -3.91 3.54 3.41 -1.26 -4.81 113.62 111.56 2dqj n SER 10 Ca 0.05 -0.80 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 2dqj n SER 10 Cb 0.40 0.90 -0.16 0.00 -0.26 0.00 0.00 64.21 65.08 2dqj n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dqj s LEU 11 N -3.09 1.32 0.09 1.04 2.96 -1.26 -0.82 118.68 118.91 2dqj s LEU 11 Ca 0.08 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2dqj s LEU 11 Cb 0.16 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 2dqj s LEU 11 CO 0.84 -0.05 -0.02 0.68 -1.32 0.00 0.00 176.35 176.48 2dqj s VAL 12 N 0.99 0.34 0.11 1.68 -7.23 -0.65 -4.97 120.40 110.67 2dqj s VAL 12 Ca -0.10 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2dqj s VAL 12 Cb -0.14 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2dqj s VAL 12 CO -0.00 -0.82 0.29 -0.54 -0.31 0.00 0.00 175.10 173.71 2dqj s LYS 13 N -3.93 3.50 0.48 4.82 -0.14 -1.26 -1.55 119.74 121.66 2dqj s LYS 13 Ca 0.13 -0.36 -0.23 0.00 -1.36 0.00 0.00 55.97 54.15 2dqj s LYS 13 Cb 0.07 -2.95 -0.08 0.00 -1.68 0.00 0.00 37.83 33.19 2dqj s LYS 13 CO -0.05 0.53 1.24 -2.30 -0.76 0.00 0.00 175.35 174.01 2dqj n PRO 14 N -0.02 1.70 0.00 -1.68 -0.02 -1.26 -2.37 135.00 131.36 2dqj n PRO 14 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2dqj n PRO 14 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2dqj n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dqj n SER 15 N -0.22 0.00 -4.45 2.55 2.88 0.15 -4.92 113.62 109.61 2dqj n SER 15 Ca 0.09 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.37 2dqj n SER 15 Cb 0.42 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.02 2dqj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dqj s GLN 16 N -0.08 1.24 -0.24 -1.46 -2.07 -1.00 -3.92 119.66 112.12 2dqj s GLN 16 Ca 0.00 -0.90 -0.11 0.00 -1.82 0.00 0.00 55.36 52.53 2dqj s GLN 16 Cb 0.00 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.72 2dqj s GLN 16 CO 0.00 -1.85 0.20 0.99 -1.32 0.00 0.00 175.29 173.31 2dqj s THR 17 N -3.43 5.33 -0.15 3.63 2.01 -1.26 -1.98 115.64 119.79 2dqj s THR 17 Ca 0.70 0.26 -0.20 0.00 0.31 0.00 0.00 61.69 62.75 2dqj s THR 17 Cb -0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2dqj s THR 17 CO 0.48 0.32 0.58 -0.22 -0.69 0.00 0.00 174.62 175.09 2dqj s LEU 18 N 1.17 4.22 -0.06 4.42 0.20 -0.02 -4.89 118.68 123.71 2dqj s LEU 18 Ca 0.09 0.87 0.02 0.00 0.69 0.00 0.00 54.13 55.80 2dqj s LEU 18 Cb -0.14 -2.84 0.01 0.00 -0.43 0.00 0.00 46.19 42.79 2dqj s LEU 18 CO 0.06 -0.15 -0.12 -0.44 -0.29 0.00 0.00 176.35 175.41 2dqj s SER 19 N 0.95 1.73 0.15 3.68 0.01 -1.26 -0.38 113.70 118.57 2dqj s SER 19 Ca 0.29 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2dqj s SER 19 Cb -0.16 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 2dqj s SER 19 CO 0.12 0.05 -0.14 -0.76 0.41 0.00 0.00 173.24 172.92 2dqj s LEU 20 N 0.54 2.46 0.03 2.44 1.43 -0.22 -4.40 118.68 120.96 2dqj s LEU 20 Ca -0.12 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 2dqj s LEU 20 Cb -0.14 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 2dqj s LEU 20 CO 0.03 -0.18 -0.21 -0.89 0.23 0.00 0.00 176.35 175.33 2dqj s THR 21 N -2.56 1.67 -0.20 5.49 2.01 0.04 -1.67 115.64 120.42 2dqj s THR 21 Ca 0.14 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2dqj s THR 21 Cb -0.03 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.09 2dqj s THR 21 CO 0.03 0.28 -0.13 0.00 -0.69 0.00 0.00 174.62 174.12 2dqj s SER 23 N 1.32 6.54 -0.17 0.00 0.01 -0.38 -1.84 113.70 119.19 2dqj s SER 23 Ca -0.01 0.64 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 2dqj s SER 23 Cb -0.16 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2dqj s SER 23 CO -0.09 0.03 0.01 -0.69 0.41 0.00 0.00 173.24 172.91 2dqj s VAL 24 N 0.68 4.28 -0.05 3.43 1.01 -0.76 -2.14 120.40 126.85 2dqj s VAL 24 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2dqj s VAL 24 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2dqj s VAL 24 CO 0.07 0.47 -0.16 -0.89 0.00 0.00 0.00 175.10 174.60 2dqj s THR 25 N 0.42 1.34 0.00 3.92 2.01 0.12 -4.79 115.64 118.66 2dqj s THR 25 Ca -0.01 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2dqj s THR 25 Cb -0.13 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.21 2dqj s THR 25 CO 0.02 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2dqj n GLY 26 N 3.28 2.20 3.60 4.40 0.00 -1.26 -0.02 105.19 117.39 2dqj n GLY 26 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2dqj n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dqj s ASP 27 N -1.88 -0.19 0.35 1.61 2.15 -1.26 -4.70 116.67 112.76 2dqj s ASP 27 Ca 0.00 -0.09 -0.26 0.00 0.43 0.00 0.00 52.55 52.63 2dqj s ASP 27 Cb 0.00 0.27 -0.09 0.00 -0.30 0.00 0.00 42.92 42.80 2dqj s ASP 27 CO 0.00 -0.46 1.09 -0.55 -0.17 0.00 0.00 175.17 175.08 2dqj s SER 28 N -2.55 6.91 0.56 -0.34 0.15 -1.26 -4.92 113.70 112.24 2dqj s SER 28 Ca 0.10 2.18 0.33 0.00 0.70 0.00 0.00 55.95 59.25 2dqj s SER 28 Cb 0.00 -2.61 1.59 0.00 -1.71 0.00 0.00 66.02 63.30 2dqj s SER 28 CO -0.05 -0.39 2.09 0.16 1.20 0.00 0.00 173.24 176.25 2dqj h ILE 29 N 2.55 0.25 0.00 6.45 3.07 -1.91 -1.68 117.51 126.24 2dqj h ILE 29 Ca -0.48 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.47 2dqj h ILE 29 Cb 1.22 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 2dqj h ILE 29 CO 0.64 0.06 0.00 0.35 -1.05 0.00 0.00 178.15 178.15 2dqj n THR 30 N -3.30 0.00 -1.05 0.16 -2.24 -1.26 -3.05 114.28 103.53 2dqj n THR 30 Ca -0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2dqj n THR 30 Cb 0.24 -0.60 0.25 0.00 -2.10 0.00 0.00 70.33 68.13 2dqj n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dqj n SER 31 N -0.89 3.75 -3.42 3.42 7.64 -0.63 -4.98 113.62 118.52 2dqj n SER 31 Ca 0.11 -3.11 -0.03 0.00 1.01 0.00 0.00 58.87 56.84 2dqj n SER 31 Cb 0.05 -0.56 0.01 0.00 -1.01 0.00 0.00 64.21 62.70 2dqj n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqj s ASP 32 N -1.98 -0.04 -0.04 6.43 -1.08 -1.17 -5.04 116.67 113.75 2dqj s ASP 32 Ca 0.43 -0.64 -0.02 0.00 -0.52 0.00 0.00 52.55 51.80 2dqj s ASP 32 Cb 0.35 0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 42.29 2dqj s ASP 32 CO 0.08 -1.00 0.11 -0.31 0.52 0.00 0.00 175.17 174.57 2dqj s TYR 33 N -2.42 3.41 -0.03 -5.34 1.51 -1.26 -4.30 117.35 108.91 2dqj s TYR 33 Ca 0.19 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.62 2dqj s TYR 33 Cb -0.02 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2dqj s TYR 33 CO 0.05 0.61 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.32 2dqj s TRP 34 N -1.17 1.86 0.34 2.71 0.52 -0.35 -1.41 118.94 121.45 2dqj s TRP 34 Ca 0.22 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.93 2dqj s TRP 34 Cb -0.12 -1.23 -0.07 0.00 -1.15 0.00 0.00 33.47 30.91 2dqj s TRP 34 CO 0.12 -0.11 0.02 -1.12 0.02 0.00 0.00 176.95 175.88 2dqj s SER 35 N -0.22 2.86 -0.03 2.95 0.01 0.08 -0.73 113.70 118.63 2dqj s SER 35 Ca 0.01 -1.34 0.02 0.00 1.31 0.00 0.00 55.95 55.95 2dqj s SER 35 Cb -0.10 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2dqj s SER 35 CO 0.01 -0.51 -0.06 0.26 0.41 0.00 0.00 173.24 173.35 2dqj s TRP 36 N -3.08 0.80 0.03 2.43 0.52 -0.66 -2.22 118.94 116.76 2dqj s TRP 36 Ca 0.35 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.28 2dqj s TRP 36 Cb 0.08 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.75 2dqj s TRP 36 CO 0.15 -0.13 -0.08 0.42 0.02 0.00 0.00 176.95 177.33 2dqj s ILE 37 N 0.50 0.57 0.07 2.03 1.09 -0.25 -1.23 121.20 123.98 2dqj s ILE 37 Ca -0.07 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 2dqj s ILE 37 Cb -0.11 -0.59 -0.03 0.00 -1.06 0.00 0.00 42.46 40.67 2dqj s ILE 37 CO 0.00 -0.22 -0.09 0.00 -0.10 0.00 0.00 174.94 174.53 2dqj s ARG 38 N -1.19 0.71 -0.15 2.79 1.70 -0.57 -0.30 118.95 121.94 2dqj s ARG 38 Ca -0.06 -0.99 0.01 0.00 -0.47 0.00 0.00 55.73 54.22 2dqj s ARG 38 Cb -0.08 -0.43 0.01 0.00 -0.57 0.00 0.00 34.95 33.88 2dqj s ARG 38 CO 0.00 0.07 -0.18 0.21 -1.08 0.00 0.00 175.30 174.32 2dqj s LYS 39 N -2.31 3.11 0.51 3.89 2.20 0.29 -0.94 119.74 126.48 2dqj s LYS 39 Ca -0.01 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.73 2dqj s LYS 39 Cb -0.06 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2dqj s LYS 39 CO -0.00 -0.03 0.85 -0.06 -0.36 0.00 0.00 175.35 175.74 2dqj s PHE 40 N 0.90 3.57 0.49 4.03 0.08 0.57 -1.19 117.98 126.44 2dqj s PHE 40 Ca -0.04 0.95 0.42 0.00 0.12 0.00 0.00 56.93 58.37 2dqj s PHE 40 Cb -0.15 -2.42 1.59 0.00 -0.57 0.00 0.00 43.02 41.47 2dqj s PHE 40 CO -0.03 -0.37 1.52 -2.30 -0.10 0.00 0.00 175.22 173.95 2dqj n PRO 41 N -2.31 -0.02 -1.71 0.24 -0.02 -1.26 -2.34 135.00 127.58 2dqj n PRO 41 Ca 0.02 1.13 -0.36 0.00 -2.02 0.00 0.00 63.50 62.27 2dqj n PRO 41 Cb 0.55 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2dqj n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqj n GLY 42 N -1.73 5.76 3.36 -1.23 0.00 -1.26 -4.87 105.19 105.23 2dqj n GLY 42 Ca 0.42 -2.44 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 2dqj n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dqj n ASN 43 N -0.71 -5.19 -4.34 1.61 3.02 -0.99 -4.96 115.26 103.70 2dqj n ASN 43 Ca 0.56 -0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 2dqj n ASN 43 Cb 0.49 -4.19 -0.12 0.00 -0.61 0.00 0.00 39.78 35.34 2dqj n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2dqj s ARG 44 N -6.05 3.05 -0.01 3.52 3.52 -1.22 -4.96 118.95 116.79 2dqj s ARG 44 Ca 0.44 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 55.03 2dqj s ARG 44 Cb -0.21 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 2dqj s ARG 44 CO 0.54 -0.47 0.33 -0.51 -0.81 0.00 0.00 175.30 174.37 2dqj s LEU 45 N 1.50 4.42 -0.05 -0.88 1.43 -1.26 -0.31 118.68 123.52 2dqj s LEU 45 Ca 0.02 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2dqj s LEU 45 Cb -0.17 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.52 2dqj s LEU 45 CO 0.03 0.31 -0.05 -0.70 0.23 0.00 0.00 176.35 176.17 2dqj s GLU 46 N -1.29 0.93 -0.36 1.70 2.12 -0.12 -5.00 118.70 116.67 2dqj s GLU 46 Ca 0.24 -0.12 -0.25 0.00 0.36 0.00 0.00 54.97 55.20 2dqj s GLU 46 Cb -0.15 -0.94 0.01 0.00 0.26 0.00 0.00 34.13 33.32 2dqj s GLU 46 CO 0.12 -0.10 0.87 -0.47 -0.54 0.00 0.00 175.26 175.14 2dqj s TYR 47 N 1.01 3.10 -0.00 5.30 6.14 -1.26 -1.52 117.35 130.12 2dqj s TYR 47 Ca -0.09 0.69 -0.20 0.00 0.64 0.00 0.00 57.07 58.11 2dqj s TYR 47 Cb -0.14 -3.54 -0.26 0.00 0.42 0.00 0.00 41.96 38.44 2dqj s TYR 47 CO -0.00 -0.78 1.05 0.52 0.64 0.00 0.00 175.55 176.98 2dqj h MET 48 N 8.46 0.41 0.00 4.97 2.86 -1.53 -3.41 114.93 126.70 2dqj h MET 48 Ca -0.24 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 2dqj h MET 48 Cb 1.08 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2dqj h MET 48 CO 0.95 1.17 0.00 0.41 1.06 0.00 0.00 176.91 180.50 2dqj n GLY 49 N 1.24 -2.75 3.33 8.32 0.00 -1.16 -1.08 105.19 113.09 2dqj n GLY 49 Ca -0.11 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 2dqj n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dqj s TYR 50 N -2.06 -0.19 -0.10 1.61 1.13 -0.55 -1.66 117.35 115.55 2dqj s TYR 50 Ca 0.00 -0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.57 2dqj s TYR 50 Cb 0.00 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 2dqj s TYR 50 CO 0.00 -0.72 -0.23 0.54 -2.51 0.00 0.00 175.55 172.63 2dqj s VAL 51 N -3.81 2.00 0.50 -3.49 0.11 0.10 -1.36 120.40 114.44 2dqj s VAL 51 Ca 0.04 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.19 2dqj s VAL 51 Cb 0.02 -1.73 0.05 0.00 -1.53 0.00 0.00 36.38 33.19 2dqj s VAL 51 CO -0.11 0.55 0.68 -0.94 -3.33 0.00 0.00 175.10 171.95 2dqj s SER 52 N 0.34 5.38 0.53 3.54 1.04 -0.40 -1.21 113.70 122.92 2dqj s SER 52 Ca -0.18 -0.61 0.32 0.00 0.48 0.00 0.00 55.95 55.96 2dqj s SER 52 Cb -0.18 -0.21 1.47 0.00 0.10 0.00 0.00 66.02 67.20 2dqj s SER 52 CO 0.08 -1.05 1.86 0.10 0.98 0.00 0.00 173.24 175.21 2dqj h TYR 53 N 0.40 0.06 -0.00 5.02 -0.00 -1.89 0.12 116.97 120.69 2dqj h TYR 53 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 2dqj h TYR 53 Cb 1.28 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 2dqj h TYR 53 CO 0.41 0.01 -0.09 -1.13 -0.00 0.00 0.00 178.16 177.36 2dqj n SER 54 N -4.27 0.19 0.00 0.10 3.41 -1.26 -4.88 113.62 106.91 2dqj n SER 54 Ca 0.21 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2dqj n SER 54 Cb 1.03 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2dqj n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dqj n GLY 55 N 1.37 0.12 3.76 5.00 0.00 0.03 -5.05 105.19 110.42 2dqj n GLY 55 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2dqj n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqj s SER 56 N -2.06 5.94 0.20 1.61 1.04 -1.26 -4.75 113.70 114.42 2dqj s SER 56 Ca 0.00 2.59 0.11 0.00 0.48 0.00 0.00 55.95 59.13 2dqj s SER 56 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2dqj s SER 56 CO 0.00 -1.10 -0.22 0.42 0.98 0.00 0.00 173.24 173.32 2dqj s THR 57 N -1.36 2.21 -0.10 2.02 -4.23 -1.26 -1.28 115.64 111.64 2dqj s THR 57 Ca 0.63 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2dqj s THR 57 Cb -0.36 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.44 2dqj s THR 57 CO 0.45 -0.22 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.97 2dqj s TYR 58 N -1.91 1.04 0.02 3.99 2.02 -0.46 -5.00 117.35 117.03 2dqj s TYR 58 Ca 0.21 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 2dqj s TYR 58 Cb -0.07 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 2dqj s TYR 58 CO 0.10 -0.43 -0.20 0.71 -1.57 0.00 0.00 175.55 174.16 2dqj s TYR 59 N 1.85 2.52 0.03 2.71 2.02 -1.26 -1.48 117.35 123.74 2dqj s TYR 59 Ca 0.04 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 2dqj s TYR 59 Cb -0.13 -1.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.89 2dqj s TYR 59 CO -0.07 0.19 1.41 1.21 -1.57 0.00 0.00 175.55 176.72 2dqj s ASN 60 N -1.19 6.84 0.64 2.29 3.84 -0.24 -4.88 114.94 122.24 2dqj s ASN 60 Ca 0.13 2.18 0.33 0.00 0.21 0.00 0.00 52.86 55.71 2dqj s ASN 60 Cb -0.10 -2.57 1.83 0.00 -0.55 0.00 0.00 41.25 39.86 2dqj s ASN 60 CO 0.03 -0.70 2.09 -0.65 -2.79 0.00 0.00 177.10 175.08 2dqj h PRO 61 N 7.61 0.00 0.00 0.43 0.11 -1.94 -0.89 132.00 137.31 2dqj h PRO 61 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 2dqj h PRO 61 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dqj h PRO 61 CO 0.89 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.33 2dqj h SER 62 N 0.00 0.00 0.12 -2.05 4.64 -1.97 -0.57 113.55 113.72 2dqj h SER 62 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2dqj h SER 62 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2dqj h SER 62 CO -0.00 0.01 -0.03 0.18 -0.87 0.00 0.00 176.83 176.13 2dqj n LEU 63 N -3.47 0.51 -4.13 5.97 4.77 -0.34 -4.93 117.00 115.38 2dqj n LEU 63 Ca -0.03 -0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 2dqj n LEU 63 Cb 0.10 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2dqj n LEU 63 CO 0.25 0.09 -0.06 0.29 -1.33 0.00 0.00 177.39 176.63 2dqj n LYS 64 N -0.69 -3.48 -3.32 3.23 4.76 -0.22 -2.02 118.16 116.42 2dqj n LYS 64 Ca 0.20 0.41 -0.24 0.00 -2.87 0.00 0.00 58.31 55.80 2dqj n LYS 64 Cb 0.22 -5.02 0.04 0.00 -1.84 0.00 0.00 35.03 28.44 2dqj n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dqj n SER 65 N -2.75 -5.68 -0.58 4.39 7.64 -1.26 -4.87 113.62 110.50 2dqj n SER 65 Ca -0.01 -0.42 0.10 0.00 1.01 0.00 0.00 58.87 59.54 2dqj n SER 65 Cb 0.54 -4.56 0.03 0.00 -1.01 0.00 0.00 64.21 59.20 2dqj n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dqj n ARG 66 N -4.30 1.60 -3.99 1.43 1.74 -0.85 -4.98 116.66 107.30 2dqj n ARG 66 Ca -0.05 -1.22 -0.32 0.00 -0.77 0.00 0.00 57.85 55.48 2dqj n ARG 66 Cb 0.58 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 2dqj n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2dqj s ILE 67 N -2.02 5.07 -0.02 0.55 2.07 -1.26 -0.66 121.20 124.93 2dqj s ILE 67 Ca 0.19 -0.36 -0.00 0.00 -1.41 0.00 0.00 60.65 59.07 2dqj s ILE 67 Cb 0.16 -3.38 0.03 0.00 0.13 0.00 0.00 42.46 39.40 2dqj s ILE 67 CO 0.40 0.28 0.04 -0.55 -1.91 0.00 0.00 174.94 173.20 2dqj s SER 68 N -2.02 0.04 -0.16 4.50 0.15 -0.52 -5.00 113.70 110.69 2dqj s SER 68 Ca 0.27 0.07 0.01 0.00 0.70 0.00 0.00 55.95 57.01 2dqj s SER 68 Cb -0.12 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2dqj s SER 68 CO 0.19 -0.12 -0.19 -0.63 1.20 0.00 0.00 173.24 173.69 2dqj s ILE 69 N 0.98 1.91 0.27 6.45 1.01 -1.26 -1.09 121.20 129.47 2dqj s ILE 69 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2dqj s ILE 69 Cb -0.11 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 2dqj s ILE 69 CO -0.03 0.52 0.04 0.42 0.00 0.00 0.00 174.94 175.88 2dqj s THR 70 N 1.22 1.02 0.13 2.92 -4.23 -1.12 -4.94 115.64 110.64 2dqj s THR 70 Ca 0.02 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2dqj s THR 70 Cb -0.14 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 2dqj s THR 70 CO -0.09 -0.13 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.60 2dqj s ARG 71 N -3.90 0.99 -0.30 3.99 0.52 -1.26 0.16 118.95 119.15 2dqj s ARG 71 Ca 0.33 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 2dqj s ARG 71 Cb 0.07 -0.72 0.10 0.00 0.52 0.00 0.00 34.95 34.92 2dqj s ARG 71 CO 0.12 0.12 0.12 0.34 0.02 0.00 0.00 175.30 176.02 2dqj s ASP 72 N -2.69 3.74 0.20 0.23 -1.08 0.12 -4.98 116.67 112.20 2dqj s ASP 72 Ca 0.11 -1.43 -0.12 0.00 -0.52 0.00 0.00 52.55 50.59 2dqj s ASP 72 Cb -0.02 -0.56 0.13 0.00 -1.46 0.00 0.00 42.92 41.01 2dqj s ASP 72 CO 0.02 -0.43 1.87 0.74 0.52 0.00 0.00 175.17 177.88 2dqj h THR 73 N 6.44 1.17 -0.21 1.71 2.02 -1.97 -0.25 112.91 121.83 2dqj h THR 73 Ca -0.17 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2dqj h THR 73 Cb 1.01 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2dqj h THR 73 CO 0.45 0.17 0.15 0.77 0.37 0.00 0.00 175.52 177.43 2dqj h SER 74 N 0.92 0.16 -0.02 4.18 4.64 -1.95 -1.32 113.55 120.15 2dqj h SER 74 Ca 0.25 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2dqj h SER 74 Cb -0.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2dqj h SER 74 CO -0.05 0.11 -0.29 0.29 -0.87 0.00 0.00 176.83 176.01 2dqj n LYS 75 N -4.50 1.59 -3.79 4.77 5.02 -1.06 -4.98 118.16 115.21 2dqj n LYS 75 Ca 0.01 -1.25 -0.23 0.00 -2.02 0.00 0.00 58.31 54.82 2dqj n LYS 75 Cb 0.16 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 2dqj n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2dqj n ASN 76 N 0.39 -1.01 -4.12 4.39 4.05 -0.15 -4.83 115.26 113.99 2dqj n ASN 76 Ca 0.10 -0.90 -0.08 0.00 0.45 0.00 0.00 54.58 54.15 2dqj n ASN 76 Cb 0.48 -3.65 -0.10 0.00 1.23 0.00 0.00 39.78 37.74 2dqj n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2dqj s GLN 77 N -6.19 0.71 0.16 1.20 -0.21 -0.90 -1.84 119.66 112.59 2dqj s GLN 77 Ca 0.02 -1.28 0.02 0.00 0.02 0.00 0.00 55.36 54.15 2dqj s GLN 77 Cb -0.01 0.13 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 2dqj s GLN 77 CO 0.84 -0.12 -0.03 1.52 -2.12 0.00 0.00 175.29 175.38 2dqj s TYR 78 N -3.88 1.18 0.26 0.91 1.13 -0.77 -0.70 117.35 115.47 2dqj s TYR 78 Ca 0.11 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 54.86 2dqj s TYR 78 Cb 0.07 -0.66 -0.05 0.00 -1.10 0.00 0.00 41.96 40.22 2dqj s TYR 78 CO -0.07 -0.13 0.04 0.71 -2.51 0.00 0.00 175.55 173.59 2dqj s TYR 79 N -3.57 1.63 -0.07 -3.49 2.02 0.12 -1.19 117.35 112.81 2dqj s TYR 79 Ca 0.20 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2dqj s TYR 79 Cb 0.05 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 2dqj s TYR 79 CO 0.02 -0.11 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.68 2dqj s LEU 80 N -3.34 1.05 -0.06 -1.29 2.96 -0.67 -2.78 118.68 114.55 2dqj s LEU 80 Ca 0.33 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2dqj s LEU 80 Cb 0.07 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 2dqj s LEU 80 CO 0.11 -0.11 -0.23 -1.81 -1.32 0.00 0.00 176.35 172.99 2dqj s ASP 81 N 1.41 2.86 -0.19 3.68 1.01 -0.25 -1.05 116.67 124.14 2dqj s ASP 81 Ca -0.03 -0.48 -0.02 0.00 0.71 0.00 0.00 52.55 52.73 2dqj s ASP 81 Cb -0.13 -0.82 0.06 0.00 1.01 0.00 0.00 42.92 43.04 2dqj s ASP 81 CO -0.03 0.22 0.02 -0.22 0.21 0.00 0.00 175.17 175.37 2dqj s LEU 82 N -0.09 1.33 0.60 1.23 2.96 0.48 -1.44 118.68 123.76 2dqj s LEU 82 Ca -0.04 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 2dqj s LEU 82 Cb -0.13 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2dqj s LEU 82 CO 0.04 -0.29 1.00 0.20 -1.32 0.00 0.00 176.35 175.98 2dqj s ASN 83 N 1.80 6.25 -1.25 3.68 0.01 0.17 -0.84 114.94 124.76 2dqj s ASN 83 Ca -0.01 1.38 -0.31 0.00 -0.71 0.00 0.00 52.86 53.21 2dqj s ASN 83 Cb -0.17 -2.45 0.04 0.00 0.41 0.00 0.00 41.25 39.08 2dqj s ASN 83 CO -0.08 -0.83 0.58 -1.20 -1.51 0.00 0.00 177.10 174.06 2dqj n SER 84 N -2.65 -3.35 -4.76 -1.22 7.64 -1.06 -4.90 113.62 103.32 2dqj n SER 84 Ca 0.06 -1.30 -0.33 0.00 1.01 0.00 0.00 58.87 58.31 2dqj n SER 84 Cb 0.54 -1.56 0.07 0.00 -1.01 0.00 0.00 64.21 62.24 2dqj n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dqj s VAL 85 N -3.66 3.16 0.32 0.44 -7.23 -0.84 -4.59 120.40 108.00 2dqj s VAL 85 Ca 0.43 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 61.12 2dqj s VAL 85 Cb -0.24 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2dqj s VAL 85 CO 0.97 -0.38 0.16 0.42 -0.31 0.00 0.00 175.10 175.96 2dqj s THR 86 N -2.47 0.39 0.59 5.32 -4.23 -1.26 0.33 115.64 114.30 2dqj s THR 86 Ca 0.66 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.54 2dqj s THR 86 Cb -0.20 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.50 2dqj s THR 86 CO 0.46 0.00 2.13 0.71 -0.54 0.00 0.00 174.62 177.38 2dqj h THR 87 N 2.15 0.00 0.00 3.99 1.35 -1.98 0.13 112.91 118.55 2dqj h THR 87 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2dqj h THR 87 Cb 1.25 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2dqj h THR 87 CO 0.53 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.18 2dqj n GLU 88 N -2.92 0.06 -0.14 4.72 -0.58 -1.26 -2.44 120.64 118.08 2dqj n GLU 88 Ca -0.02 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 2dqj n GLU 88 Cb 0.19 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.80 2dqj n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dqj n ASP 89 N -1.45 2.99 -4.70 1.62 8.00 0.45 -4.90 116.55 118.56 2dqj n ASP 89 Ca 0.05 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.21 2dqj n ASP 89 Cb 0.20 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2dqj n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dqj s THR 90 N -1.64 3.56 -0.06 -3.53 2.01 -1.02 -4.84 115.64 110.12 2dqj s THR 90 Ca 0.36 1.03 -0.31 0.00 0.31 0.00 0.00 61.69 63.08 2dqj s THR 90 Cb 0.21 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 69.18 2dqj s THR 90 CO 0.30 0.03 1.36 0.00 -0.69 0.00 0.00 174.62 175.62 2dqj s ALA 91 N 1.93 -2.58 -0.26 7.40 0.00 -0.85 -4.57 121.76 122.83 2dqj s ALA 91 Ca 0.64 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2dqj s ALA 91 Cb -0.33 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 2dqj s ALA 91 CO 0.28 -1.13 0.23 0.99 0.00 0.00 0.00 175.76 176.13 2dqj s THR 92 N -2.06 5.29 -0.16 0.00 2.01 -0.33 -1.15 115.64 119.23 2dqj s THR 92 Ca 0.25 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.45 2dqj s THR 92 Cb 0.02 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2dqj s THR 92 CO -0.03 0.26 0.13 -0.31 -0.69 0.00 0.00 174.62 173.98 2dqj s TYR 93 N 1.56 3.49 0.03 4.92 1.51 0.54 -0.55 117.35 128.85 2dqj s TYR 93 Ca 0.09 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.62 2dqj s TYR 93 Cb -0.15 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 2dqj s TYR 93 CO 0.09 0.49 -0.17 0.71 -1.11 0.00 0.00 175.55 175.56 2dqj s TYR 94 N -0.28 1.46 0.10 2.71 1.51 0.59 -0.54 117.35 122.91 2dqj s TYR 94 Ca 0.11 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 2dqj s TYR 94 Cb -0.11 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 2dqj s TYR 94 CO 0.01 0.05 -0.02 0.00 -1.11 0.00 0.00 175.55 174.48 2dqj s ALA 96 N -1.34 -1.74 0.69 0.00 0.00 -0.94 -0.73 121.76 117.70 2dqj s ALA 96 Ca 0.25 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2dqj s ALA 96 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2dqj s ALA 96 CO 0.18 -0.61 1.06 0.54 0.00 0.00 0.00 175.76 176.93 2dqj s ASN 97 N -2.15 5.49 0.37 0.00 6.03 -0.52 -0.74 114.94 123.42 2dqj s ASN 97 Ca -0.01 1.47 0.08 0.00 -1.03 0.00 0.00 52.86 53.37 2dqj s ASN 97 Cb -0.01 -2.37 0.80 0.00 -3.03 0.00 0.00 41.25 36.65 2dqj s ASN 97 CO -0.05 -1.35 1.92 -0.25 -2.03 0.00 0.00 177.10 175.34 2dqj h TRP 98 N -0.65 0.75 0.00 1.54 7.01 -1.57 -1.26 115.95 121.76 2dqj h TRP 98 Ca -0.44 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.54 2dqj h TRP 98 Cb 1.22 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 2dqj h TRP 98 CO 0.60 0.34 -0.16 -0.44 -2.79 0.00 0.00 178.44 175.99 2dqj h ASP 99 N 0.70 0.00 0.00 2.65 3.32 -1.92 -3.47 116.42 117.70 2dqj h ASP 99 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2dqj h ASP 99 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2dqj h ASP 99 CO -0.14 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 2dqj n GLY 100 N -0.32 0.71 0.07 2.75 0.00 -0.48 -4.93 105.19 102.99 2dqj n GLY 100 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2dqj n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dqj h ASP 101 N 0.00 0.00 -3.16 1.61 3.32 -1.90 -3.45 116.42 112.84 2dqj h ASP 101 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2dqj h ASP 101 Cb 0.00 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.20 2dqj h ASP 101 CO 0.00 0.93 -0.86 -0.31 -1.72 0.00 0.00 179.24 177.28 2dqj s TYR 102 N -2.73 2.57 0.14 4.55 2.02 -1.26 -5.04 117.35 117.60 2dqj s TYR 102 Ca 0.01 -1.37 0.08 0.00 -0.37 0.00 0.00 57.07 55.42 2dqj s TYR 102 Cb 0.09 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 2dqj s TYR 102 CO 0.81 -0.66 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.38 2dqj s TRP 103 N 1.03 1.71 0.89 2.71 0.52 -1.26 -1.44 118.94 123.09 2dqj s TRP 103 Ca -0.03 -0.48 -0.10 0.00 0.02 0.00 0.00 56.10 55.51 2dqj s TRP 103 Cb -0.15 -0.87 0.19 0.00 -1.15 0.00 0.00 33.47 31.49 2dqj s TRP 103 CO -0.06 0.26 1.22 0.20 0.02 0.00 0.00 176.95 178.59 2dqj s GLY 104 N -2.50 1.78 0.22 0.98 0.00 0.09 -4.50 107.32 103.40 2dqj s GLY 104 Ca 0.13 -1.48 0.26 0.00 0.00 0.00 0.00 44.72 43.63 2dqj s GLY 104 CO 0.05 -0.75 1.76 0.61 0.00 0.00 0.00 173.10 174.77 2dqj n GLN 105 N -3.46 0.27 0.00 2.90 10.64 -1.26 -4.82 117.38 121.65 2dqj n GLN 105 Ca 0.16 0.22 0.00 0.00 -1.83 0.00 0.00 57.00 55.55 2dqj n GLN 105 Cb 0.60 -1.82 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 2dqj n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dqj n GLY 106 N 1.30 -0.66 2.94 2.61 0.00 -1.26 -5.05 105.19 105.08 2dqj n GLY 106 Ca 0.05 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 2dqj n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dqj s THR 107 N -2.92 -0.07 0.02 2.61 -1.32 0.30 -4.93 115.64 109.32 2dqj s THR 107 Ca 0.00 0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.37 2dqj s THR 107 Cb 0.00 -0.28 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 2dqj s THR 107 CO 0.00 0.08 1.00 -0.22 -2.21 0.00 0.00 174.62 173.27 2dqj s LEU 108 N 1.32 4.38 -0.14 9.08 2.96 -1.26 -0.34 118.68 134.68 2dqj s LEU 108 Ca -0.08 1.70 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 2dqj s LEU 108 Cb -0.11 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.02 2dqj s LEU 108 CO -0.06 -0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.86 2dqj s VAL 109 N 0.91 1.62 -0.15 1.68 1.01 -0.30 -4.57 120.40 120.59 2dqj s VAL 109 Ca 0.52 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2dqj s VAL 109 Cb -0.22 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2dqj s VAL 109 CO 0.28 0.47 -0.01 -0.89 0.00 0.00 0.00 175.10 174.95 2dqj s THR 110 N 1.30 4.14 -0.35 3.92 2.01 -0.00 -2.01 115.64 124.65 2dqj s THR 110 Ca 0.01 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 2dqj s THR 110 Cb -0.14 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2dqj s THR 110 CO -0.08 0.50 0.22 -0.69 -0.69 0.00 0.00 174.62 173.88 2dqj s VAL 111 N 0.20 4.89 -0.01 3.82 1.01 -1.26 -1.64 120.40 127.41 2dqj s VAL 111 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2dqj s VAL 111 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2dqj s VAL 111 CO 0.02 -0.11 0.14 -0.55 0.00 0.00 0.00 175.10 174.60 2dqj s SER 112 N 1.64 -0.02 0.32 3.32 0.15 -0.59 -4.50 113.70 114.01 2dqj s SER 112 Ca 0.04 -0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.84 2dqj s SER 112 Cb -0.18 0.23 1.17 0.00 -1.71 0.00 0.00 66.02 65.54 2dqj s SER 112 CO 0.08 -0.28 1.69 0.00 1.20 0.00 0.00 173.24 175.93 2dqj n ALA 113 N 1.87 1.17 0.20 5.45 0.00 -1.26 -4.26 120.51 123.67 2dqj n ALA 113 Ca -0.20 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.45 2dqj n ALA 113 Cb 0.56 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.69 2dqj n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50