#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqh s VAL 2 N 0.00 5.00 -0.01 2.53 1.01 -1.26 -4.17 120.40 123.50 2dqh s VAL 2 Ca 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2dqh s VAL 2 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2dqh s VAL 2 CO 0.00 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.68 2dqh s GLN 3 N -1.21 0.10 0.22 2.72 -2.07 0.16 -5.00 119.66 114.57 2dqh s GLN 3 Ca 0.26 -0.03 0.11 0.00 -1.82 0.00 0.00 55.36 53.89 2dqh s GLN 3 Cb -0.17 0.04 -0.05 0.00 -1.09 0.00 0.00 33.01 31.75 2dqh s GLN 3 CO 0.15 -0.02 -0.21 -0.51 -1.32 0.00 0.00 175.29 173.38 2dqh s LEU 4 N -0.20 2.53 -0.25 2.60 1.02 -1.26 -1.01 118.68 122.11 2dqh s LEU 4 Ca -0.02 -0.89 -0.10 0.00 0.02 0.00 0.00 54.13 53.14 2dqh s LEU 4 Cb -0.02 -1.19 0.10 0.00 0.02 0.00 0.00 46.19 45.10 2dqh s LEU 4 CO 0.00 0.09 0.56 -1.58 0.02 0.00 0.00 176.35 175.44 2dqh s GLN 5 N -2.94 0.50 0.27 1.70 2.00 -0.92 -4.45 119.66 115.82 2dqh s GLN 5 Ca 0.24 1.21 -0.19 0.00 -2.00 0.00 0.00 55.36 54.62 2dqh s GLN 5 Cb -0.07 0.48 -0.09 0.00 0.80 0.00 0.00 33.01 34.13 2dqh s GLN 5 CO 0.12 -0.20 0.77 -1.21 -0.50 0.00 0.00 175.29 174.27 2dqh s GLU 6 N 2.41 4.22 0.02 1.67 8.01 -1.26 -1.43 118.70 132.35 2dqh s GLU 6 Ca -0.06 0.89 -0.17 0.00 0.01 0.00 0.00 54.97 55.64 2dqh s GLU 6 Cb -0.10 -2.70 0.03 0.00 -4.31 0.00 0.00 34.13 27.05 2dqh s GLU 6 CO -0.17 0.29 0.39 -1.54 0.01 0.00 0.00 175.26 174.24 2dqh s SER 7 N -1.85 -0.26 0.00 -0.19 1.04 -0.41 -4.94 113.70 107.10 2dqh s SER 7 Ca 0.48 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2dqh s SER 7 Cb -0.15 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2dqh s SER 7 CO 0.20 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2dqh n GLY 8 N 0.72 2.34 3.61 7.32 0.00 -1.26 -0.81 105.19 117.11 2dqh n GLY 8 Ca -0.19 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2dqh n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dqh n PRO 9 N -1.83 1.04 0.00 1.61 -0.04 -1.26 -4.92 135.00 129.60 2dqh n PRO 9 Ca 0.00 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 63.92 2dqh n PRO 9 Cb 0.00 -2.13 -0.07 0.00 -0.04 0.00 0.00 33.50 31.26 2dqh n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dqh n SER 10 N -0.36 0.65 -3.80 3.54 3.41 -1.26 -4.83 113.62 110.96 2dqh n SER 10 Ca 0.12 -0.82 -0.22 0.00 -0.26 0.00 0.00 58.87 57.69 2dqh n SER 10 Cb 0.45 0.99 -0.17 0.00 -0.26 0.00 0.00 64.21 65.22 2dqh n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dqh s LEU 11 N -2.62 0.78 0.20 1.04 0.20 -1.26 -0.96 118.68 116.06 2dqh s LEU 11 Ca 0.05 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2dqh s LEU 11 Cb 0.10 -0.45 -0.05 0.00 -0.43 0.00 0.00 46.19 45.36 2dqh s LEU 11 CO 0.54 -0.16 -0.01 0.68 -0.29 0.00 0.00 176.35 177.11 2dqh s VAL 12 N 1.71 0.92 0.23 1.68 -7.23 -0.87 -4.99 120.40 111.85 2dqh s VAL 12 Ca 0.01 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2dqh s VAL 12 Cb -0.13 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2dqh s VAL 12 CO -0.04 -0.42 0.18 -0.54 -0.31 0.00 0.00 175.10 173.97 2dqh s LYS 13 N -3.87 2.91 0.52 4.82 1.02 -1.26 -0.83 119.74 123.07 2dqh s LYS 13 Ca 0.26 -1.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 2dqh s LYS 13 Cb 0.05 -2.58 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2dqh s LYS 13 CO 0.06 0.42 0.90 -2.30 -0.92 0.00 0.00 175.35 173.51 2dqh n PRO 14 N -0.97 1.01 -0.04 -1.68 -0.02 -1.26 -2.55 135.00 129.49 2dqh n PRO 14 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2dqh n PRO 14 Cb 0.57 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2dqh n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2dqh n SER 15 N -0.04 0.00 -3.77 2.55 3.41 0.19 -4.90 113.62 111.07 2dqh n SER 15 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 2dqh n SER 15 Cb 0.44 -0.87 0.18 0.00 -0.26 0.00 0.00 64.21 63.70 2dqh n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dqh n GLN 16 N -2.00 -1.07 -3.75 4.33 10.64 -1.06 -3.67 117.38 120.80 2dqh n GLN 16 Ca 0.00 -1.91 -0.36 0.00 -1.83 0.00 0.00 57.00 52.90 2dqh n GLN 16 Cb 0.00 -1.18 -0.13 0.00 -0.86 0.00 0.00 30.24 28.07 2dqh n GLN 16 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2dqh s THR 17 N -3.55 4.30 -0.14 -0.39 2.01 -1.26 -1.90 115.64 114.70 2dqh s THR 17 Ca 0.67 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 2dqh s THR 17 Cb -0.02 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2dqh s THR 17 CO 0.47 0.34 0.68 -0.22 -0.69 0.00 0.00 174.62 175.19 2dqh s LEU 18 N 1.61 4.21 -0.04 4.42 2.96 -0.08 -4.90 118.68 126.87 2dqh s LEU 18 Ca 0.06 1.01 0.04 0.00 -0.22 0.00 0.00 54.13 55.02 2dqh s LEU 18 Cb -0.15 -3.00 -0.00 0.00 0.50 0.00 0.00 46.19 43.54 2dqh s LEU 18 CO 0.04 -0.23 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.24 2dqh s SER 19 N 1.02 2.01 0.04 3.68 0.01 -1.26 -0.84 113.70 118.36 2dqh s SER 19 Ca 0.33 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2dqh s SER 19 Cb -0.16 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 2dqh s SER 19 CO 0.13 0.15 -0.10 -0.76 0.41 0.00 0.00 173.24 173.06 2dqh s LEU 20 N 0.02 2.22 0.02 2.44 1.02 -0.81 -4.34 118.68 119.27 2dqh s LEU 20 Ca -0.03 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.70 2dqh s LEU 20 Cb -0.11 -0.34 -0.03 0.00 0.02 0.00 0.00 46.19 45.73 2dqh s LEU 20 CO 0.02 -0.10 -0.24 0.42 0.02 0.00 0.00 176.35 176.47 2dqh s THR 21 N -1.12 2.29 -0.22 5.49 -4.23 0.01 -1.71 115.64 116.15 2dqh s THR 21 Ca -0.05 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2dqh s THR 21 Cb -0.09 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2dqh s THR 21 CO 0.01 0.42 -0.13 0.00 -0.54 0.00 0.00 174.62 174.38 2dqh s SER 23 N 1.25 6.66 -0.21 0.00 0.01 -0.52 -1.80 113.70 119.09 2dqh s SER 23 Ca -0.00 0.78 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 2dqh s SER 23 Cb -0.16 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2dqh s SER 23 CO -0.08 -0.03 -0.01 -0.69 0.41 0.00 0.00 173.24 172.83 2dqh s VAL 24 N 0.82 3.73 -0.10 3.43 1.01 -0.91 -2.16 120.40 126.23 2dqh s VAL 24 Ca 0.26 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2dqh s VAL 24 Cb -0.15 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2dqh s VAL 24 CO 0.10 0.42 -0.23 -0.89 0.00 0.00 0.00 175.10 174.50 2dqh s THR 25 N 1.22 2.15 0.00 3.92 2.01 -0.18 -4.73 115.64 120.03 2dqh s THR 25 Ca 0.03 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2dqh s THR 25 Cb -0.15 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2dqh s THR 25 CO 0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2dqh n GLY 26 N 3.45 1.13 3.58 4.40 0.00 -1.26 -0.67 105.19 115.83 2dqh n GLY 26 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2dqh n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dqh s ASP 27 N -1.23 -0.34 0.23 1.61 2.15 -1.26 -4.75 116.67 113.08 2dqh s ASP 27 Ca 0.00 -0.15 -0.30 0.00 0.43 0.00 0.00 52.55 52.53 2dqh s ASP 27 Cb 0.00 0.47 -0.09 0.00 -0.30 0.00 0.00 42.92 43.01 2dqh s ASP 27 CO 0.00 -0.81 1.20 -0.55 -0.17 0.00 0.00 175.17 174.84 2dqh s SER 28 N -2.68 7.08 0.60 -0.34 0.15 -1.26 -4.91 113.70 112.34 2dqh s SER 28 Ca 0.07 2.32 0.35 0.00 0.70 0.00 0.00 55.95 59.38 2dqh s SER 28 Cb -0.01 -2.62 1.95 0.00 -1.71 0.00 0.00 66.02 63.62 2dqh s SER 28 CO -0.06 -0.35 2.25 0.16 1.20 0.00 0.00 173.24 176.45 2dqh h ILE 29 N 3.48 0.32 0.00 6.45 -2.65 -1.92 -0.32 117.51 122.87 2dqh h ILE 29 Ca -0.46 -0.13 0.00 0.00 1.03 0.00 0.00 64.86 65.30 2dqh h ILE 29 Cb 1.21 1.10 0.00 0.00 -2.05 0.00 0.00 36.82 37.08 2dqh h ILE 29 CO 0.72 0.02 0.00 0.35 0.03 0.00 0.00 178.15 179.27 2dqh n THR 30 N -3.49 0.10 -0.99 0.16 -2.24 -1.26 -2.99 114.28 103.57 2dqh n THR 30 Ca -0.03 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2dqh n THR 30 Cb 0.12 -0.69 0.31 0.00 -2.10 0.00 0.00 70.33 67.97 2dqh n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dqh n SER 31 N -1.08 4.53 -3.42 3.42 7.64 -0.13 -4.89 113.62 119.69 2dqh n SER 31 Ca 0.14 -3.05 -0.05 0.00 1.01 0.00 0.00 58.87 56.93 2dqh n SER 31 Cb 0.10 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.69 2dqh n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqh s ASP 32 N -1.51 -0.07 -0.12 6.43 -1.08 -1.16 -5.04 116.67 114.12 2dqh s ASP 32 Ca 0.48 -0.70 -0.07 0.00 -0.52 0.00 0.00 52.55 51.74 2dqh s ASP 32 Cb 0.38 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 42.40 2dqh s ASP 32 CO 0.11 -1.17 0.12 -0.31 0.52 0.00 0.00 175.17 174.45 2dqh s TYR 33 N -2.69 3.54 0.03 -5.34 1.51 -1.26 -4.06 117.35 109.08 2dqh s TYR 33 Ca 0.16 0.48 0.08 0.00 -1.01 0.00 0.00 57.07 56.79 2dqh s TYR 33 Cb -0.03 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2dqh s TYR 33 CO 0.06 0.68 -0.24 -1.58 -1.11 0.00 0.00 175.55 173.36 2dqh s TRP 34 N -0.94 2.13 0.26 2.71 0.52 -0.62 -0.91 118.94 122.09 2dqh s TRP 34 Ca 0.14 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.89 2dqh s TRP 34 Cb -0.12 -1.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 2dqh s TRP 34 CO 0.04 0.08 0.18 -1.54 0.02 0.00 0.00 176.95 175.73 2dqh s SER 35 N -1.08 0.90 -0.05 2.95 1.04 -0.57 -0.01 113.70 116.88 2dqh s SER 35 Ca 0.10 -1.53 0.02 0.00 0.48 0.00 0.00 55.95 55.01 2dqh s SER 35 Cb -0.09 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2dqh s SER 35 CO 0.01 -0.91 -0.09 0.26 0.98 0.00 0.00 173.24 173.49 2dqh s TRP 36 N -3.83 1.14 0.02 5.02 0.52 0.03 -2.77 118.94 119.08 2dqh s TRP 36 Ca 0.39 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 56.16 2dqh s TRP 36 Cb 0.05 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 2dqh s TRP 36 CO 0.18 -0.23 -0.11 0.42 0.02 0.00 0.00 176.95 177.24 2dqh s ILE 37 N 0.70 0.83 0.08 2.03 1.09 -0.31 -0.79 121.20 124.83 2dqh s ILE 37 Ca -0.13 -0.72 0.04 0.00 -1.10 0.00 0.00 60.65 58.75 2dqh s ILE 37 Cb -0.15 -0.75 -0.03 0.00 -1.06 0.00 0.00 42.46 40.48 2dqh s ILE 37 CO 0.02 0.04 -0.12 0.00 -0.10 0.00 0.00 174.94 174.78 2dqh s ARG 38 N -0.76 0.79 -0.17 2.79 1.70 -0.56 0.49 118.95 123.22 2dqh s ARG 38 Ca 0.01 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 2dqh s ARG 38 Cb -0.06 -0.68 0.01 0.00 -0.57 0.00 0.00 34.95 33.65 2dqh s ARG 38 CO 0.00 0.14 -0.17 0.21 -1.08 0.00 0.00 175.30 174.40 2dqh s LYS 39 N -2.00 3.12 0.48 3.89 2.20 0.63 -0.70 119.74 127.36 2dqh s LYS 39 Ca -0.01 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.70 2dqh s LYS 39 Cb -0.08 -2.63 -0.06 0.00 -1.51 0.00 0.00 37.83 33.55 2dqh s LYS 39 CO 0.02 -0.11 0.87 -0.06 -0.36 0.00 0.00 175.35 175.71 2dqh s PHE 40 N 1.09 3.50 0.51 4.03 0.08 0.72 -1.07 117.98 126.85 2dqh s PHE 40 Ca -0.00 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.22 2dqh s PHE 40 Cb -0.14 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 2dqh s PHE 40 CO -0.06 -0.29 0.86 -2.30 -0.10 0.00 0.00 175.22 173.33 2dqh n PRO 41 N -1.73 0.02 -1.09 0.24 -0.02 -1.26 -1.47 135.00 129.70 2dqh n PRO 41 Ca 0.04 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.15 2dqh n PRO 41 Cb 0.54 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.83 2dqh n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqh n GLY 42 N -1.36 5.35 2.29 -1.23 0.00 -1.26 -4.92 105.19 104.06 2dqh n GLY 42 Ca 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 2dqh n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dqh n ASN 43 N -1.02 -4.50 -4.57 1.61 5.03 -0.54 -4.99 115.26 106.27 2dqh n ASN 43 Ca 0.36 0.01 -0.39 0.00 0.87 0.00 0.00 54.58 55.43 2dqh n ASN 43 Cb 0.94 -3.63 -0.11 0.00 -1.02 0.00 0.00 39.78 35.96 2dqh n ASN 43 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2dqh s ARG 44 N -4.65 3.82 -0.07 3.52 3.52 -1.21 -4.93 118.95 118.94 2dqh s ARG 44 Ca 0.00 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.11 2dqh s ARG 44 Cb 0.00 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 2dqh s ARG 44 CO 0.00 -0.26 0.23 -0.51 -0.81 0.00 0.00 175.30 173.95 2dqh s LEU 45 N 1.77 4.41 -0.05 -0.88 1.43 -1.26 -0.20 118.68 123.90 2dqh s LEU 45 Ca 0.07 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2dqh s LEU 45 Cb -0.16 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2dqh s LEU 45 CO 0.11 0.37 -0.02 -0.70 0.23 0.00 0.00 176.35 176.33 2dqh s GLU 46 N -1.14 0.65 -0.40 1.70 2.12 0.13 -5.00 118.70 116.76 2dqh s GLU 46 Ca 0.19 0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.26 2dqh s GLU 46 Cb -0.13 -0.82 0.02 0.00 0.26 0.00 0.00 34.13 33.46 2dqh s GLU 46 CO 0.08 -0.17 0.96 -0.47 -0.54 0.00 0.00 175.26 175.13 2dqh s TYR 47 N 1.29 3.02 -0.05 5.30 6.14 -1.26 -1.50 117.35 130.29 2dqh s TYR 47 Ca -0.05 0.72 -0.23 0.00 0.64 0.00 0.00 57.07 58.15 2dqh s TYR 47 Cb -0.13 -3.82 -0.28 0.00 0.42 0.00 0.00 41.96 38.15 2dqh s TYR 47 CO -0.02 -0.93 0.94 0.52 0.64 0.00 0.00 175.55 176.70 2dqh h MET 48 N 8.66 0.26 0.00 4.97 2.86 -1.33 -3.41 114.93 126.94 2dqh h MET 48 Ca -0.23 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2dqh h MET 48 Cb 1.07 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2dqh h MET 48 CO 1.01 1.13 0.00 0.41 1.06 0.00 0.00 176.91 180.52 2dqh n GLY 49 N 1.42 -0.78 3.27 8.32 0.00 -1.15 -0.97 105.19 115.31 2dqh n GLY 49 Ca -0.12 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2dqh n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dqh s TYR 50 N -2.00 0.05 -0.11 1.61 1.13 -0.77 -0.79 117.35 116.47 2dqh s TYR 50 Ca 0.00 -0.43 0.04 0.00 -1.41 0.00 0.00 57.07 55.26 2dqh s TYR 50 Cb 0.00 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 2dqh s TYR 50 CO 0.00 -0.63 -0.23 0.54 -2.51 0.00 0.00 175.55 172.72 2dqh s VAL 51 N -3.85 2.03 0.86 -3.49 0.11 0.99 -1.91 120.40 115.13 2dqh s VAL 51 Ca 0.06 -0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 57.99 2dqh s VAL 51 Cb 0.03 -1.77 0.13 0.00 -1.53 0.00 0.00 36.38 33.25 2dqh s VAL 51 CO -0.10 0.55 1.21 -0.44 -3.33 0.00 0.00 175.10 172.99 2dqh s SER 52 N 0.46 3.94 0.53 3.54 0.01 0.10 -1.59 113.70 120.69 2dqh s SER 52 Ca -0.16 0.45 0.18 0.00 1.31 0.00 0.00 55.95 57.72 2dqh s SER 52 Cb -0.17 -0.76 1.34 0.00 0.21 0.00 0.00 66.02 66.64 2dqh s SER 52 CO 0.06 -2.22 2.16 0.10 0.41 0.00 0.00 173.24 173.76 2dqh h TYR 53 N -1.22 0.00 0.00 2.43 -0.00 -1.89 -0.54 116.97 115.75 2dqh h TYR 53 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 2dqh h TYR 53 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 2dqh h TYR 53 CO -0.35 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.47 2dqh h SER 54 N 0.00 0.00 0.00 0.10 4.64 -1.93 -3.47 113.55 112.89 2dqh h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dqh h SER 54 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2dqh h SER 54 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dqh n GLY 55 N 0.92 0.48 3.78 -0.77 0.00 -0.21 -5.06 105.19 104.34 2dqh n GLY 55 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2dqh n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqh s SER 56 N -2.82 5.90 0.15 1.61 1.04 -1.26 -4.75 113.70 113.58 2dqh s SER 56 Ca 0.00 2.09 0.07 0.00 0.48 0.00 0.00 55.95 58.59 2dqh s SER 56 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2dqh s SER 56 CO 0.00 -1.09 -0.15 0.42 0.98 0.00 0.00 173.24 173.40 2dqh s THR 57 N -1.85 1.55 -0.08 2.02 -4.23 -1.26 -0.72 115.64 111.06 2dqh s THR 57 Ca 0.71 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2dqh s THR 57 Cb -0.21 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.89 2dqh s THR 57 CO 0.25 -0.45 -0.06 0.00 -0.54 0.00 0.00 174.62 173.82 2dqh s ALA 58 N -2.38 1.07 0.03 3.99 0.00 -0.80 -5.02 121.76 118.64 2dqh s ALA 58 Ca 0.14 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.84 2dqh s ALA 58 Cb -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2dqh s ALA 58 CO 0.05 -0.27 -0.24 0.71 0.00 0.00 0.00 175.76 176.00 2dqh s TYR 59 N 1.45 2.15 -0.06 0.00 2.02 -1.26 -1.84 117.35 119.81 2dqh s TYR 59 Ca -0.01 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 2dqh s TYR 59 Cb -0.13 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2dqh s TYR 59 CO -0.04 0.08 1.40 1.21 -1.57 0.00 0.00 175.55 176.62 2dqh s ASN 60 N -1.05 6.85 0.67 2.29 3.84 -0.14 -4.86 114.94 122.53 2dqh s ASN 60 Ca 0.10 2.00 0.35 0.00 0.21 0.00 0.00 52.86 55.53 2dqh s ASN 60 Cb -0.10 -2.55 1.92 0.00 -0.55 0.00 0.00 41.25 39.98 2dqh s ASN 60 CO 0.01 -0.76 2.08 -0.65 -2.79 0.00 0.00 177.10 175.00 2dqh h PRO 61 N 8.25 0.00 0.00 0.43 0.11 -1.94 -0.18 132.00 138.67 2dqh h PRO 61 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 2dqh h PRO 61 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2dqh h PRO 61 CO 0.93 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 179.36 2dqh h SER 62 N 0.00 0.00 -0.08 -2.05 4.64 -1.97 -0.41 113.55 113.68 2dqh h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dqh h SER 62 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2dqh h SER 62 CO -0.00 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 2dqh n LEU 63 N -3.32 0.69 -2.57 5.97 7.99 -0.08 -4.90 117.00 120.78 2dqh n LEU 63 Ca -0.02 -0.30 -0.05 0.00 -0.01 0.00 0.00 56.01 55.63 2dqh n LEU 63 Cb 0.14 -0.05 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2dqh n LEU 63 CO 0.24 0.15 -0.05 0.29 -1.51 0.00 0.00 177.39 176.51 2dqh n LYS 64 N -0.29 -2.73 -2.14 3.23 4.76 -0.17 -0.32 118.16 120.50 2dqh n LYS 64 Ca 0.13 0.19 -0.09 0.00 -2.87 0.00 0.00 58.31 55.66 2dqh n LYS 64 Cb 0.16 -4.72 -0.01 0.00 -1.84 0.00 0.00 35.03 28.62 2dqh n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dqh n SER 65 N -1.64 -3.14 -0.21 4.39 7.64 -1.26 -4.90 113.62 114.49 2dqh n SER 65 Ca -0.04 -0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.95 2dqh n SER 65 Cb 0.53 -2.39 0.08 0.00 -1.01 0.00 0.00 64.21 61.41 2dqh n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dqh n ARG 66 N -1.89 0.56 -3.78 1.43 1.74 0.56 -4.94 116.66 110.35 2dqh n ARG 66 Ca -0.11 -0.43 -0.34 0.00 -0.77 0.00 0.00 57.85 56.21 2dqh n ARG 66 Cb 0.57 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.47 2dqh n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2dqh s ILE 67 N -2.73 5.30 -0.12 0.55 2.07 -1.26 -0.71 121.20 124.31 2dqh s ILE 67 Ca 0.15 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.39 2dqh s ILE 67 Cb 0.18 -3.58 0.05 0.00 0.13 0.00 0.00 42.46 39.23 2dqh s ILE 67 CO 0.68 0.28 0.27 -0.55 -1.91 0.00 0.00 174.94 173.71 2dqh s SER 68 N -1.93 -0.26 -0.20 4.50 0.15 -0.04 -4.98 113.70 110.94 2dqh s SER 68 Ca 0.31 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.54 2dqh s SER 68 Cb -0.13 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2dqh s SER 68 CO 0.19 -0.17 -0.17 -0.63 1.20 0.00 0.00 173.24 173.66 2dqh s ILE 69 N 1.36 2.21 0.39 6.45 1.01 -1.26 -0.47 121.20 130.89 2dqh s ILE 69 Ca -0.09 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.59 2dqh s ILE 69 Cb -0.10 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2dqh s ILE 69 CO -0.09 0.43 0.05 0.42 0.00 0.00 0.00 174.94 175.75 2dqh s THR 70 N 1.28 1.23 0.05 2.92 -4.23 -1.05 -4.92 115.64 110.91 2dqh s THR 70 Ca 0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2dqh s THR 70 Cb -0.14 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 2dqh s THR 70 CO -0.11 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.10 2dqh s ARG 71 N -3.81 0.65 -0.24 3.99 1.70 -1.26 0.59 118.95 120.56 2dqh s ARG 71 Ca 0.28 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 2dqh s ARG 71 Cb 0.06 0.26 0.07 0.00 -0.57 0.00 0.00 34.95 34.77 2dqh s ARG 71 CO 0.14 -0.17 -0.02 0.34 -1.08 0.00 0.00 175.30 174.50 2dqh s ASP 72 N -2.28 3.85 0.17 -2.89 -1.08 -0.44 -4.99 116.67 109.02 2dqh s ASP 72 Ca -0.03 -1.25 -0.14 0.00 -0.52 0.00 0.00 52.55 50.61 2dqh s ASP 72 Cb 0.00 -1.13 0.06 0.00 -1.46 0.00 0.00 42.92 40.39 2dqh s ASP 72 CO -0.06 -0.27 1.79 0.74 0.52 0.00 0.00 175.17 177.90 2dqh h THR 73 N 6.64 1.17 -1.00 1.71 2.02 -1.97 -0.84 112.91 120.64 2dqh h THR 73 Ca -0.16 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.67 2dqh h THR 73 Cb 1.07 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2dqh h THR 73 CO 0.42 0.18 0.65 0.77 0.37 0.00 0.00 175.52 177.90 2dqh h SER 74 N 0.71 1.06 0.34 4.18 4.64 -1.95 -2.07 113.55 120.45 2dqh h SER 74 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2dqh h SER 74 Cb 0.02 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2dqh h SER 74 CO -0.03 0.70 -0.51 0.29 -0.87 0.00 0.00 176.83 176.40 2dqh n LYS 75 N -4.48 0.25 -3.51 4.77 5.02 -1.17 -4.97 118.16 114.07 2dqh n LYS 75 Ca 0.14 -0.16 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 2dqh n LYS 75 Cb 0.14 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.73 2dqh n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2dqh n ASN 76 N -1.23 -1.90 -4.24 4.39 4.05 -0.35 -4.86 115.26 111.12 2dqh n ASN 76 Ca 0.07 -0.67 -0.13 0.00 0.45 0.00 0.00 54.58 54.29 2dqh n ASN 76 Cb 0.34 -4.82 -0.10 0.00 1.23 0.00 0.00 39.78 36.43 2dqh n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2dqh s GLN 77 N -5.56 1.21 0.02 1.20 -0.21 -1.02 -2.13 119.66 113.17 2dqh s GLN 77 Ca 0.02 -1.63 -0.02 0.00 0.02 0.00 0.00 55.36 53.75 2dqh s GLN 77 Cb -0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.97 2dqh s GLN 77 CO 0.75 -0.29 0.02 1.52 -2.12 0.00 0.00 175.29 175.18 2dqh s TYR 78 N -3.91 0.22 0.36 0.91 1.13 -0.75 -1.32 117.35 113.99 2dqh s TYR 78 Ca 0.33 -0.46 0.06 0.00 -1.41 0.00 0.00 57.07 55.59 2dqh s TYR 78 Cb 0.07 -0.16 -0.07 0.00 -1.10 0.00 0.00 41.96 40.70 2dqh s TYR 78 CO 0.09 -0.24 0.01 0.71 -2.51 0.00 0.00 175.55 173.61 2dqh s TYR 79 N -1.70 2.26 -0.06 -3.49 2.02 0.20 -0.53 117.35 116.05 2dqh s TYR 79 Ca -0.13 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 2dqh s TYR 79 Cb -0.07 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2dqh s TYR 79 CO -0.01 0.29 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.06 2dqh s LEU 80 N -3.60 1.07 -0.13 -1.29 2.96 -0.69 -2.54 118.68 114.46 2dqh s LEU 80 Ca 0.35 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2dqh s LEU 80 Cb 0.08 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.29 2dqh s LEU 80 CO 0.16 -0.11 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.08 2dqh s ASP 81 N 1.35 2.92 -0.27 3.68 1.01 0.38 -1.91 116.67 123.82 2dqh s ASP 81 Ca -0.04 -0.55 0.02 0.00 0.71 0.00 0.00 52.55 52.69 2dqh s ASP 81 Cb -0.13 -1.34 0.07 0.00 1.01 0.00 0.00 42.92 42.53 2dqh s ASP 81 CO -0.02 0.06 -0.04 -0.22 0.21 0.00 0.00 175.17 175.16 2dqh s LEU 82 N 0.86 3.16 0.54 1.23 2.96 -0.02 -0.86 118.68 126.55 2dqh s LEU 82 Ca -0.07 -1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 52.29 2dqh s LEU 82 Cb -0.15 -1.33 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 2dqh s LEU 82 CO -0.02 -0.27 0.93 0.20 -1.32 0.00 0.00 176.35 175.88 2dqh s ASN 83 N 1.25 6.34 -1.21 3.68 0.01 0.11 -0.91 114.94 124.22 2dqh s ASN 83 Ca -0.02 1.29 -0.28 0.00 -0.71 0.00 0.00 52.86 53.14 2dqh s ASN 83 Cb -0.19 -2.40 0.03 0.00 0.41 0.00 0.00 41.25 39.09 2dqh s ASN 83 CO -0.08 -0.69 0.68 -1.20 -1.51 0.00 0.00 177.10 174.30 2dqh n SER 84 N -2.24 -4.15 -4.80 -1.22 7.64 -1.02 -4.87 113.62 102.97 2dqh n SER 84 Ca 0.04 -1.21 -0.32 0.00 1.01 0.00 0.00 58.87 58.40 2dqh n SER 84 Cb 0.54 -2.23 0.05 0.00 -1.01 0.00 0.00 64.21 61.56 2dqh n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dqh s VAL 85 N -3.56 3.79 0.26 0.44 -7.23 -0.80 -4.63 120.40 108.66 2dqh s VAL 85 Ca 0.45 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 61.30 2dqh s VAL 85 Cb -0.22 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 2dqh s VAL 85 CO 0.94 -0.68 0.13 0.42 -0.31 0.00 0.00 175.10 175.60 2dqh s THR 86 N -2.82 0.28 0.00 5.32 -4.23 -1.26 0.56 115.64 113.49 2dqh s THR 86 Ca 0.61 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.29 2dqh s THR 86 Cb -0.16 -2.55 0.17 0.00 1.34 0.00 0.00 72.50 71.31 2dqh s THR 86 CO 0.50 0.00 1.47 0.71 -0.54 0.00 0.00 174.62 176.76 2dqh h THR 87 N 2.40 0.00 0.00 3.99 1.35 -1.99 0.46 112.91 119.12 2dqh h THR 87 Ca -0.35 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.44 2dqh h THR 87 Cb 1.25 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2dqh h THR 87 CO 0.54 0.00 -0.29 -0.08 -0.25 0.00 0.00 175.52 175.44 2dqh h GLU 88 N 0.00 0.00 -0.24 4.72 4.57 -1.94 -2.61 114.58 119.08 2dqh h GLU 88 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dqh h GLU 88 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2dqh h GLU 88 CO 0.00 0.29 0.00 -0.25 -1.18 0.00 0.00 179.01 177.87 2dqh n ASP 89 N -3.57 1.57 -4.64 1.04 8.00 0.16 -4.84 116.55 114.26 2dqh n ASP 89 Ca -0.01 -1.86 -0.43 0.00 0.71 0.00 0.00 54.79 53.20 2dqh n ASP 89 Cb 0.43 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 2dqh n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dqh s THR 90 N -1.68 3.74 0.13 -3.53 2.01 -0.98 -4.80 115.64 110.53 2dqh s THR 90 Ca 0.25 0.86 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 2dqh s THR 90 Cb 0.13 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 69.05 2dqh s THR 90 CO 0.19 -0.21 1.10 0.00 -0.69 0.00 0.00 174.62 175.01 2dqh s ALA 91 N 4.66 -1.83 -0.33 7.40 0.00 -0.84 -4.45 121.76 126.37 2dqh s ALA 91 Ca 0.70 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 2dqh s ALA 91 Cb -0.27 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2dqh s ALA 91 CO 0.27 -1.08 0.24 0.99 0.00 0.00 0.00 175.76 176.19 2dqh s THR 92 N -2.24 5.28 -0.08 0.00 2.01 -0.23 -0.97 115.64 119.41 2dqh s THR 92 Ca 0.22 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 2dqh s THR 92 Cb -0.02 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2dqh s THR 92 CO 0.03 0.04 0.28 -0.31 -0.69 0.00 0.00 174.62 173.97 2dqh s TYR 93 N 1.76 3.63 0.04 4.92 1.51 -0.33 -0.27 117.35 128.62 2dqh s TYR 93 Ca 0.07 0.74 0.04 0.00 -1.01 0.00 0.00 57.07 56.91 2dqh s TYR 93 Cb -0.17 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 2dqh s TYR 93 CO 0.11 0.61 -0.12 0.71 -1.11 0.00 0.00 175.55 175.74 2dqh s TYR 94 N -0.77 1.04 -0.00 2.71 1.51 0.18 -0.55 117.35 121.47 2dqh s TYR 94 Ca 0.19 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2dqh s TYR 94 Cb -0.14 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2dqh s TYR 94 CO 0.08 0.01 -0.14 0.00 -1.11 0.00 0.00 175.55 174.39 2dqh s ALA 96 N -0.86 -1.35 0.78 0.00 0.00 -1.11 -0.74 121.76 118.49 2dqh s ALA 96 Ca 0.14 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2dqh s ALA 96 Cb -0.11 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.40 2dqh s ALA 96 CO 0.04 -0.48 1.09 0.54 0.00 0.00 0.00 175.76 176.94 2dqh s ASN 97 N -1.86 4.55 0.28 0.00 6.03 -0.75 -1.51 114.94 121.69 2dqh s ASN 97 Ca -0.06 1.49 0.02 0.00 -1.03 0.00 0.00 52.86 53.28 2dqh s ASN 97 Cb -0.01 -2.25 0.62 0.00 -3.03 0.00 0.00 41.25 36.59 2dqh s ASN 97 CO -0.00 -1.96 1.77 -0.25 -2.03 0.00 0.00 177.10 174.63 2dqh h TRP 98 N -1.08 0.90 0.00 1.54 7.01 -1.34 -0.52 115.95 122.46 2dqh h TRP 98 Ca -0.46 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.53 2dqh h TRP 98 Cb 1.25 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 2dqh h TRP 98 CO 0.51 0.21 -0.22 -0.44 -2.79 0.00 0.00 178.44 175.72 2dqh h ASP 99 N 0.69 0.00 0.00 2.65 3.32 -1.92 -3.47 116.42 117.70 2dqh h ASP 99 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2dqh h ASP 99 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2dqh h ASP 99 CO -0.37 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 2dqh n GLY 100 N -0.39 0.54 0.13 2.75 0.00 -0.20 -4.94 105.19 103.08 2dqh n GLY 100 Ca -0.01 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2dqh n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dqh h ASP 101 N 0.00 0.59 -3.33 1.61 3.32 -1.90 -3.44 116.42 113.27 2dqh h ASP 101 Ca 0.00 -0.59 -0.65 0.00 0.02 0.00 0.00 57.03 55.80 2dqh h ASP 101 Cb 0.00 -0.19 -0.26 0.00 0.22 0.00 0.00 39.33 39.10 2dqh h ASP 101 CO 0.00 1.44 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.92 2dqh s TYR 102 N -2.80 2.89 0.13 4.55 2.02 -1.26 -5.05 117.35 117.83 2dqh s TYR 102 Ca -0.06 -0.62 0.05 0.00 -0.37 0.00 0.00 57.07 56.07 2dqh s TYR 102 Cb 0.07 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2dqh s TYR 102 CO 0.90 -0.24 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.95 2dqh s TRP 103 N 0.58 1.28 0.20 2.71 0.52 -1.26 -1.80 118.94 121.15 2dqh s TRP 103 Ca -0.06 -0.65 -0.02 0.00 0.02 0.00 0.00 56.10 55.40 2dqh s TRP 103 Cb -0.15 -0.66 0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2dqh s TRP 103 CO 0.03 0.09 0.27 0.41 0.02 0.00 0.00 176.95 177.77 2dqh n GLY 104 N 0.27 -0.04 0.13 0.98 0.00 0.09 -4.45 105.19 102.17 2dqh n GLY 104 Ca -0.14 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.05 2dqh n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dqh h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.89 -3.47 115.11 114.43 2dqh h GLN 105 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.65 2dqh h GLN 105 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 2dqh h GLN 105 CO 0.08 0.51 0.00 0.41 0.09 0.00 0.00 178.83 179.92 2dqh n GLY 106 N 1.24 0.78 2.84 0.06 0.00 -1.26 -5.06 105.19 103.79 2dqh n GLY 106 Ca 0.01 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 2dqh n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dqh s THR 107 N -1.24 0.42 0.09 2.61 -1.32 0.29 -4.94 115.64 111.55 2dqh s THR 107 Ca 0.00 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.17 2dqh s THR 107 Cb 0.00 -0.50 -0.06 0.00 -1.51 0.00 0.00 72.50 70.43 2dqh s THR 107 CO 0.00 0.22 1.09 -0.22 -2.21 0.00 0.00 174.62 173.50 2dqh s LEU 108 N 1.26 4.42 -0.20 9.08 2.96 -1.26 -1.19 118.68 133.75 2dqh s LEU 108 Ca -0.06 1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 55.77 2dqh s LEU 108 Cb -0.14 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.02 2dqh s LEU 108 CO -0.02 -0.30 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.00 2dqh s VAL 109 N 0.54 1.12 -0.23 1.68 1.01 -0.14 -4.58 120.40 119.80 2dqh s VAL 109 Ca 0.53 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2dqh s VAL 109 Cb -0.27 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2dqh s VAL 109 CO 0.31 -0.06 0.24 -0.89 0.00 0.00 0.00 175.10 174.69 2dqh s THR 110 N 1.60 5.31 -0.37 3.92 2.01 -0.14 -1.99 115.64 125.98 2dqh s THR 110 Ca -0.03 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.13 2dqh s THR 110 Cb -0.17 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.77 2dqh s THR 110 CO -0.07 0.31 0.56 -0.69 -0.69 0.00 0.00 174.62 174.04 2dqh s VAL 111 N 1.17 4.95 -0.00 3.82 1.01 -1.26 -2.05 120.40 128.05 2dqh s VAL 111 Ca 0.11 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2dqh s VAL 111 Cb -0.14 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2dqh s VAL 111 CO 0.06 -0.33 0.05 -0.55 0.00 0.00 0.00 175.10 174.33 2dqh s SER 112 N 1.82 0.06 0.16 3.32 0.15 -0.01 -4.41 113.70 114.79 2dqh s SER 112 Ca 0.20 -0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.62 2dqh s SER 112 Cb -0.15 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2dqh s SER 112 CO 0.15 -0.20 1.42 0.00 1.20 0.00 0.00 173.24 175.81 2dqh h ALA 113 N 5.16 0.54 0.00 5.45 0.00 -1.96 -3.36 119.26 125.10 2dqh h ALA 113 Ca -0.29 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2dqh h ALA 113 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dqh h ALA 113 CO 0.43 0.71 0.00 0.00 0.00 0.00 0.00 179.25 180.39