#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dq4 s ASP 2 N 0.00 5.00 -0.37 0.00 1.01 -1.26 -5.02 116.67 116.03 1dq4 s ASP 2 Ca 0.00 1.64 -0.16 0.00 0.71 0.00 0.00 52.55 54.74 1dq4 s ASP 2 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1dq4 s ASP 2 CO 0.00 -1.69 0.37 -0.89 0.21 0.00 0.00 175.17 173.17 1dq4 s THR 3 N -3.01 5.16 -0.11 -1.27 2.01 -1.26 -5.03 115.64 112.12 1dq4 s THR 3 Ca 0.59 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1dq4 s THR 3 Cb -0.15 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1dq4 s THR 3 CO 0.55 -0.21 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.45 1dq4 s ILE 4 N 2.01 2.45 -0.13 1.82 -1.09 -1.26 -3.86 121.20 121.15 1dq4 s ILE 4 Ca 0.11 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1dq4 s ILE 4 Cb -0.17 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1dq4 s ILE 4 CO 0.12 0.55 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.54 1dq4 s VAL 5 N 0.27 1.56 0.11 2.92 1.01 -0.97 0.81 120.40 126.12 1dq4 s VAL 5 Ca -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1dq4 s VAL 5 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1dq4 s VAL 5 CO 0.07 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.72 1dq4 s ALA 6 N 1.26 0.51 -0.38 5.51 0.00 -0.19 -0.74 121.76 127.72 1dq4 s ALA 6 Ca -0.00 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1dq4 s ALA 6 Cb -0.14 0.69 0.12 0.00 0.00 0.00 0.00 23.12 23.79 1dq4 s ALA 6 CO -0.07 -0.49 0.15 0.08 0.00 0.00 0.00 175.76 175.44 1dq4 s VAL 7 N -3.98 1.52 0.26 0.00 1.01 -0.26 -0.84 120.40 118.11 1dq4 s VAL 7 Ca 0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 61.98 59.92 1dq4 s VAL 7 Cb 0.07 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1dq4 s VAL 7 CO -0.03 -0.75 0.49 -1.83 0.00 0.00 0.00 175.10 172.98 1dq4 s GLU 8 N 0.83 3.57 -0.42 2.72 4.04 -0.18 -1.91 118.70 127.36 1dq4 s GLU 8 Ca 0.14 -0.16 0.02 0.00 0.04 0.00 0.00 54.97 55.00 1dq4 s GLU 8 Cb -0.21 -2.72 0.13 0.00 0.02 0.00 0.00 34.13 31.34 1dq4 s GLU 8 CO -0.10 0.28 0.20 -0.51 -1.84 0.00 0.00 175.26 173.29 1dq4 s LEU 9 N -3.53 2.93 0.16 1.83 1.43 0.29 -0.78 118.68 121.01 1dq4 s LEU 9 Ca 0.41 -2.45 0.11 0.00 -1.03 0.00 0.00 54.13 51.17 1dq4 s LEU 9 Cb -0.11 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1dq4 s LEU 9 CO 0.30 -0.30 -0.25 1.51 0.23 0.00 0.00 176.35 177.84 1dq4 s ASP 10 N 0.56 3.33 -0.14 2.29 -4.77 -1.07 -1.75 116.67 115.12 1dq4 s ASP 10 Ca 0.16 -0.81 0.18 0.00 -3.30 0.00 0.00 52.55 48.78 1dq4 s ASP 10 Cb -0.23 -0.23 0.35 0.00 -1.09 0.00 0.00 42.92 41.71 1dq4 s ASP 10 CO -0.05 0.14 1.22 0.35 0.70 0.00 0.00 175.17 177.53 1dq4 n THR 11 N 0.57 1.97 -2.37 2.11 -2.24 0.26 -2.50 114.28 112.09 1dq4 n THR 11 Ca -0.15 -2.15 -0.43 0.00 -2.27 0.00 0.00 64.05 59.05 1dq4 n THR 11 Cb 0.55 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1dq4 n THR 11 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1dq4 s TYR 12 N -2.83 2.72 -0.54 4.78 2.02 -1.25 -4.45 117.35 117.80 1dq4 s TYR 12 Ca 0.34 0.90 -0.27 0.00 -0.37 0.00 0.00 57.07 57.67 1dq4 s TYR 12 Cb 0.29 -3.59 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1dq4 s TYR 12 CO 0.04 -1.95 1.66 -1.25 -1.57 0.00 0.00 175.55 172.48 1dq4 s PRO 13 N 3.64 3.05 0.00 -1.71 0.04 -1.26 -4.81 135.00 133.95 1dq4 s PRO 13 Ca 0.57 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1dq4 s PRO 13 Cb -0.22 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1dq4 s PRO 13 CO 0.17 -2.23 0.00 -0.35 0.04 0.00 0.00 177.00 174.64 1dq4 n PRO 20 N 8.83 0.00 -0.99 0.56 -0.04 -1.26 -5.08 135.00 137.02 1dq4 n PRO 20 Ca 0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 1dq4 n PRO 20 Cb 0.50 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.03 1dq4 n PRO 20 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dq4 n SER 21 N 0.00 5.89 -3.58 3.54 7.64 -1.26 -4.92 113.62 120.92 1dq4 n SER 21 Ca 0.00 -3.26 -0.08 0.00 1.01 0.00 0.00 58.87 56.54 1dq4 n SER 21 Cb 0.00 -0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1dq4 n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1dq4 s TYR 22 N -2.47 -0.33 0.34 1.43 -0.85 -1.26 -5.14 117.35 109.06 1dq4 s TYR 22 Ca 0.42 0.09 -0.29 0.00 -0.52 0.00 0.00 57.07 56.78 1dq4 s TYR 22 Cb 0.34 0.59 -0.11 0.00 0.38 0.00 0.00 41.96 43.16 1dq4 s TYR 22 CO 0.02 -0.78 1.42 -2.14 -1.52 0.00 0.00 175.55 172.55 1dq4 s PRO 23 N -3.43 4.22 0.27 -3.49 0.02 -1.26 -4.90 135.00 126.43 1dq4 s PRO 23 Ca 0.06 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1dq4 s PRO 23 Cb -0.02 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.47 1dq4 s PRO 23 CO -0.05 -0.40 0.50 -3.38 -0.33 0.00 0.00 177.00 173.33 1dq4 s HIS 24 N -0.87 0.43 -0.11 6.54 -3.43 -1.04 -1.26 115.29 115.54 1dq4 s HIS 24 Ca 0.53 -0.79 0.03 0.00 -0.80 0.00 0.00 55.06 54.03 1dq4 s HIS 24 Cb -0.44 0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 30.91 1dq4 s HIS 24 CO 0.55 -1.05 -0.21 -1.50 -2.00 0.00 0.00 174.74 170.53 1dq4 s ILE 25 N -3.80 2.31 0.04 -5.38 2.07 -0.43 -2.60 121.20 113.41 1dq4 s ILE 25 Ca 0.23 -0.93 -0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1dq4 s ILE 25 Cb -0.01 -1.91 -0.03 0.00 0.13 0.00 0.00 42.46 40.64 1dq4 s ILE 25 CO 0.11 0.55 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.82 1dq4 s GLY 26 N 0.36 0.42 -0.33 1.50 0.00 0.04 -1.66 107.32 107.66 1dq4 s GLY 26 Ca -0.17 -0.98 -0.10 0.00 0.00 0.00 0.00 44.72 43.48 1dq4 s GLY 26 CO 0.08 -1.07 0.17 -0.42 0.00 0.00 0.00 173.10 171.86 1dq4 s ILE 27 N -2.85 4.64 -0.22 0.90 1.01 -0.43 -1.01 121.20 123.25 1dq4 s ILE 27 Ca -0.02 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1dq4 s ILE 27 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1dq4 s ILE 27 CO -0.06 0.00 0.05 -1.81 0.00 0.00 0.00 174.94 173.13 1dq4 s ASP 28 N 1.61 5.17 -0.57 3.58 1.01 -0.02 -0.58 116.67 126.87 1dq4 s ASP 28 Ca 0.04 -0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.13 1dq4 s ASP 28 Cb -0.17 -1.91 0.15 0.00 1.01 0.00 0.00 42.92 41.99 1dq4 s ASP 28 CO 0.07 0.04 0.38 -0.63 0.21 0.00 0.00 175.17 175.23 1dq4 s ILE 29 N 1.19 3.67 0.00 0.77 -1.09 -1.26 -1.02 121.20 123.46 1dq4 s ILE 29 Ca 0.04 -2.67 0.00 0.00 -2.23 0.00 0.00 60.65 55.79 1dq4 s ILE 29 Cb -0.14 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 1dq4 s ILE 29 CO 0.03 -0.83 0.00 0.29 -1.23 0.00 0.00 174.94 173.20 1dq4 n LYS 30 N 3.84 -0.46 -3.88 2.79 5.02 0.24 -4.95 118.16 120.77 1dq4 n LYS 30 Ca 0.05 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 1dq4 n LYS 30 Cb 0.39 -3.99 -0.13 0.00 -0.02 0.00 0.00 35.03 31.28 1dq4 n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dq4 s SER 31 N -2.22 0.00 0.53 4.39 0.15 -1.26 -4.87 113.70 110.43 1dq4 s SER 31 Ca 0.00 -0.03 0.31 0.00 0.70 0.00 0.00 55.95 56.92 1dq4 s SER 31 Cb 0.00 0.13 1.43 0.00 -1.71 0.00 0.00 66.02 65.87 1dq4 s SER 31 CO 0.00 -0.11 2.03 1.62 1.20 0.00 0.00 173.24 177.98 1dq4 h VAL 32 N 4.89 0.32 -1.64 4.45 3.04 -1.92 -3.38 116.25 122.00 1dq4 h VAL 32 Ca -0.27 -0.59 -0.57 0.00 -1.01 0.00 0.00 66.70 64.26 1dq4 h VAL 32 Cb 1.21 1.45 -0.09 0.00 -2.01 0.00 0.00 31.29 31.84 1dq4 h VAL 32 CO 0.45 0.09 1.30 -0.13 -1.01 0.00 0.00 177.57 178.27 1dq4 s ARG 33 N -3.90 3.40 0.26 4.17 0.52 -1.26 -4.96 118.95 117.18 1dq4 s ARG 33 Ca -0.01 -0.72 -0.27 0.00 -0.52 0.00 0.00 55.73 54.21 1dq4 s ARG 33 Cb 0.11 -4.85 -0.16 0.00 0.52 0.00 0.00 34.95 30.57 1dq4 s ARG 33 CO 0.56 -2.21 0.55 0.43 0.02 0.00 0.00 175.30 174.65 1dq4 n SER 34 N 9.21 -0.98 0.16 0.23 7.64 -1.26 -4.81 113.62 123.81 1dq4 n SER 34 Ca 0.20 1.07 0.12 0.00 1.01 0.00 0.00 58.87 61.28 1dq4 n SER 34 Cb 0.50 -1.02 0.17 0.00 -1.01 0.00 0.00 64.21 62.85 1dq4 n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1dq4 h LYS 35 N 1.06 0.00 -1.72 1.43 1.79 -1.18 -3.46 116.57 114.49 1dq4 h LYS 35 Ca -0.32 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1dq4 h LYS 35 Cb 1.42 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.82 1dq4 h LYS 35 CO 0.56 0.00 0.32 0.21 -1.08 0.00 0.00 179.45 179.46 1dq4 s LYS 36 N -3.22 0.57 0.36 3.15 2.47 -1.24 -5.02 119.74 116.81 1dq4 s LYS 36 Ca 0.06 0.77 0.04 0.00 -1.56 0.00 0.00 55.97 55.28 1dq4 s LYS 36 Cb 0.08 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1dq4 s LYS 36 CO 0.69 -0.08 0.16 0.95 0.16 0.00 0.00 175.35 177.23 1dq4 s THR 37 N 0.67 0.45 -0.11 3.43 -4.23 -1.26 -1.31 115.64 113.27 1dq4 s THR 37 Ca -0.02 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 1dq4 s THR 37 Cb -0.05 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1dq4 s THR 37 CO -0.08 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.64 1dq4 s ALA 38 N -3.37 -1.64 0.17 3.99 0.00 -0.66 -4.97 121.76 115.27 1dq4 s ALA 38 Ca 0.31 1.39 -0.32 0.00 0.00 0.00 0.00 51.96 53.34 1dq4 s ALA 38 Cb 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 1dq4 s ALA 38 CO 0.17 -0.34 1.62 0.21 0.00 0.00 0.00 175.76 177.42 1dq4 s LYS 39 N -0.75 4.19 -0.11 0.00 2.20 -1.26 -1.32 119.74 122.70 1dq4 s LYS 39 Ca -0.08 2.42 0.03 0.00 -0.36 0.00 0.00 55.97 57.98 1dq4 s LYS 39 Cb -0.02 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1dq4 s LYS 39 CO 0.07 -0.65 -0.19 -0.46 -0.36 0.00 0.00 175.35 173.75 1dq4 s TRP 40 N 1.29 2.25 -1.19 4.03 -0.00 -0.39 -4.69 118.94 120.23 1dq4 s TRP 40 Ca 0.72 -1.01 -0.11 0.00 -0.00 0.00 0.00 56.10 55.69 1dq4 s TRP 40 Cb -0.45 -1.56 0.21 0.00 -0.00 0.00 0.00 33.47 31.67 1dq4 s TRP 40 CO 0.32 -0.47 1.45 0.09 -0.00 0.00 0.00 176.95 178.34 1dq4 n ASN 41 N 3.91 5.37 -4.48 5.86 4.13 -1.26 -4.33 115.26 124.45 1dq4 n ASN 41 Ca -0.20 -3.05 -0.51 0.00 1.68 0.00 0.00 54.58 52.50 1dq4 n ASN 41 Cb 0.52 -1.49 -0.07 0.00 -1.54 0.00 0.00 39.78 37.20 1dq4 n ASN 41 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1dq4 n MET 42 N 4.30 1.15 -3.34 3.52 1.56 -1.26 -4.91 117.12 118.14 1dq4 n MET 42 Ca 0.34 0.33 -0.45 0.00 -0.27 0.00 0.00 57.70 57.65 1dq4 n MET 42 Cb 0.40 -2.43 -0.07 0.00 2.15 0.00 0.00 33.22 33.27 1dq4 n MET 42 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1dq4 s GLN 43 N 5.83 3.00 0.22 2.12 -0.21 -1.26 -5.05 119.66 124.31 1dq4 s GLN 43 Ca 1.08 -1.44 -0.32 0.00 0.02 0.00 0.00 55.36 54.70 1dq4 s GLN 43 Cb -0.87 -4.19 -0.12 0.00 1.00 0.00 0.00 33.01 28.83 1dq4 s GLN 43 CO 0.51 -1.16 1.71 -1.71 -2.12 0.00 0.00 175.29 172.52 1dq4 n ASN 44 N 5.33 4.00 0.00 5.90 2.85 -1.26 -2.71 115.26 129.37 1dq4 n ASN 44 Ca -0.12 1.07 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 1dq4 n ASN 44 Cb 0.43 -1.58 0.00 0.00 1.24 0.00 0.00 39.78 39.87 1dq4 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dq4 n GLY 45 N 3.74 2.05 3.79 8.20 0.00 -0.41 -4.99 105.19 117.57 1dq4 n GLY 45 Ca 0.15 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1dq4 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dq4 s LYS 46 N 0.00 3.48 -0.15 1.61 -0.14 -1.10 -4.84 119.74 118.61 1dq4 s LYS 46 Ca 0.00 1.37 -0.20 0.00 -1.36 0.00 0.00 55.97 55.77 1dq4 s LYS 46 Cb 0.00 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1dq4 s LYS 46 CO 0.00 -0.70 0.58 0.08 -0.76 0.00 0.00 175.35 174.55 1dq4 s VAL 47 N -2.11 5.09 0.34 3.17 1.01 -1.26 -4.34 120.40 122.29 1dq4 s VAL 47 Ca 0.67 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.87 1dq4 s VAL 47 Cb -0.18 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1dq4 s VAL 47 CO 0.28 0.22 0.19 -0.83 0.00 0.00 0.00 175.10 174.96 1dq4 s GLY 48 N 0.93 1.89 -0.07 4.51 0.00 -0.69 -4.34 107.32 109.54 1dq4 s GLY 48 Ca 0.29 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1dq4 s GLY 48 CO 0.12 -1.70 -0.07 -1.59 0.00 0.00 0.00 173.10 169.86 1dq4 s THR 49 N -2.39 0.83 -0.12 0.90 2.01 -0.14 -1.16 115.64 115.58 1dq4 s THR 49 Ca 0.39 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 1dq4 s THR 49 Cb -0.04 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1dq4 s THR 49 CO 0.24 0.31 0.04 0.00 -0.69 0.00 0.00 174.62 174.52 1dq4 s ALA 50 N 1.17 3.42 -0.25 7.40 0.00 -0.36 -1.55 121.76 131.58 1dq4 s ALA 50 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1dq4 s ALA 50 Cb -0.14 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.35 1dq4 s ALA 50 CO -0.02 0.47 -0.05 -1.01 0.00 0.00 0.00 175.76 175.16 1dq4 s HIS 51 N -0.52 2.65 -0.14 0.00 3.76 0.16 -2.41 115.29 118.79 1dq4 s HIS 51 Ca 0.10 -1.98 -0.03 0.00 -0.15 0.00 0.00 55.06 53.00 1dq4 s HIS 51 Cb -0.12 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1dq4 s HIS 51 CO 0.02 -0.82 -0.05 0.42 -0.85 0.00 0.00 174.74 173.47 1dq4 s ILE 52 N 1.31 3.83 0.04 0.60 1.01 -0.36 -1.11 121.20 126.52 1dq4 s ILE 52 Ca -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1dq4 s ILE 52 Cb -0.19 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1dq4 s ILE 52 CO -0.07 0.51 -0.03 0.27 0.00 0.00 0.00 174.94 175.62 1dq4 s ILE 53 N 0.15 0.22 -0.16 2.92 -4.36 0.51 -0.84 121.20 119.64 1dq4 s ILE 53 Ca -0.02 -1.44 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1dq4 s ILE 53 Cb -0.14 -1.00 0.09 0.00 1.25 0.00 0.00 42.46 42.66 1dq4 s ILE 53 CO 0.03 -0.77 0.83 -0.47 0.24 0.00 0.00 174.94 174.80 1dq4 s TYR 54 N -2.84 -0.57 -0.13 1.37 5.04 -0.83 -1.53 117.35 117.87 1dq4 s TYR 54 Ca -0.02 1.14 -0.10 0.00 -2.44 0.00 0.00 57.07 55.65 1dq4 s TYR 54 Cb 0.00 0.39 0.04 0.00 0.35 0.00 0.00 41.96 42.74 1dq4 s TYR 54 CO -0.06 -0.43 0.33 0.54 -1.34 0.00 0.00 175.55 174.59 1dq4 s ASN 55 N -0.65 -0.36 0.59 4.32 2.20 -1.26 -1.49 114.94 118.29 1dq4 s ASN 55 Ca -0.04 0.68 0.30 0.00 -0.94 0.00 0.00 52.86 52.86 1dq4 s ASN 55 Cb -0.02 0.66 1.80 0.00 -2.00 0.00 0.00 41.25 41.69 1dq4 s ASN 55 CO 0.03 -0.13 2.22 0.77 -2.94 0.00 0.00 177.10 177.05 1dq4 h SER 56 N 6.03 0.00 0.30 3.54 4.64 -0.62 -0.93 113.55 126.50 1dq4 h SER 56 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1dq4 h SER 56 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1dq4 h SER 56 CO 0.31 0.00 -0.14 0.58 -0.87 0.00 0.00 176.83 176.70 1dq4 h VAL 57 N 0.00 0.72 0.00 0.95 2.07 -1.87 -3.28 116.25 114.85 1dq4 h VAL 57 Ca 0.02 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1dq4 h VAL 57 Cb 0.13 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1dq4 h VAL 57 CO -0.00 0.11 -0.19 0.44 0.02 0.00 0.00 177.57 177.95 1dq4 h ASP 58 N -0.71 0.00 -6.76 0.57 3.32 -1.93 -3.47 116.42 107.44 1dq4 h ASP 58 Ca -0.04 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.46 1dq4 h ASP 58 Cb 0.48 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.92 1dq4 h ASP 58 CO 0.07 0.19 -0.93 0.29 -1.72 0.00 0.00 179.24 177.14 1dq4 n LYS 59 N -3.18 -2.09 -3.70 3.56 5.02 -0.37 -4.87 118.16 112.53 1dq4 n LYS 59 Ca 0.02 0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 1dq4 n LYS 59 Cb 0.56 -4.02 -0.17 0.00 -0.02 0.00 0.00 35.03 31.37 1dq4 n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dq4 s ARG 60 N -6.93 0.37 -0.05 1.97 6.06 -1.26 -0.77 118.95 118.34 1dq4 s ARG 60 Ca 0.04 -0.09 -0.23 0.00 -2.50 0.00 0.00 55.73 52.95 1dq4 s ARG 60 Cb -0.02 -1.55 -0.04 0.00 0.06 0.00 0.00 34.95 33.41 1dq4 s ARG 60 CO 0.94 -0.53 0.67 -1.17 -2.50 0.00 0.00 175.30 172.71 1dq4 s LEU 61 N 2.01 4.34 0.01 -0.88 2.96 -0.13 -4.37 118.68 122.61 1dq4 s LEU 61 Ca 0.02 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.11 1dq4 s LEU 61 Cb -0.15 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1dq4 s LEU 61 CO -0.07 -0.06 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.42 1dq4 s SER 62 N 0.56 0.48 0.08 3.68 0.01 -0.58 -0.00 113.70 117.92 1dq4 s SER 62 Ca 0.35 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.46 1dq4 s SER 62 Cb -0.18 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 1dq4 s SER 62 CO 0.18 -0.03 -0.10 0.00 0.41 0.00 0.00 173.24 173.69 1dq4 s ALA 63 N -0.44 1.00 -0.12 1.44 0.00 -0.43 -0.36 121.76 122.85 1dq4 s ALA 63 Ca -0.02 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1dq4 s ALA 63 Cb -0.04 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1dq4 s ALA 63 CO -0.00 -0.01 0.25 0.08 0.00 0.00 0.00 175.76 176.08 1dq4 s VAL 64 N -2.07 -0.28 -0.13 0.00 1.01 -0.26 -1.60 120.40 117.07 1dq4 s VAL 64 Ca 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1dq4 s VAL 64 Cb -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1dq4 s VAL 64 CO 0.00 0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1dq4 s VAL 65 N 2.04 3.07 0.09 2.92 1.01 0.56 -0.66 120.40 129.42 1dq4 s VAL 65 Ca -0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1dq4 s VAL 65 Cb -0.11 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1dq4 s VAL 65 CO -0.08 0.53 -0.01 -0.94 0.00 0.00 0.00 175.10 174.60 1dq4 s SER 66 N 0.29 0.59 0.14 3.32 1.04 -0.60 -1.21 113.70 117.28 1dq4 s SER 66 Ca -0.10 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 55.33 1dq4 s SER 66 Cb -0.16 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1dq4 s SER 66 CO 0.05 -0.61 -0.16 -0.31 0.98 0.00 0.00 173.24 173.19 1dq4 s TYR 67 N -3.89 1.60 0.36 5.02 2.02 -1.22 -0.96 117.35 120.27 1dq4 s TYR 67 Ca 0.14 -0.52 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 1dq4 s TYR 67 Cb 0.07 -0.82 -0.10 0.00 -0.40 0.00 0.00 41.96 40.72 1dq4 s TYR 67 CO -0.05 0.23 1.37 -2.14 -1.57 0.00 0.00 175.55 173.39 1dq4 s PRO 68 N -2.74 4.19 -1.58 -1.71 0.02 -1.26 -1.79 135.00 130.12 1dq4 s PRO 68 Ca 0.12 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1dq4 s PRO 68 Cb -0.05 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1dq4 s PRO 68 CO 0.05 -0.38 0.00 -1.71 -0.33 0.00 0.00 177.00 174.63 1dq4 n ASN 69 N 0.54 -5.27 0.00 2.53 5.15 -1.26 -4.90 115.26 112.05 1dq4 n ASN 69 Ca 0.01 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1dq4 n ASN 69 Cb 0.41 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 1dq4 n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dq4 n ALA 70 N 1.16 0.00 -1.94 5.20 0.00 -0.74 -5.16 120.51 119.03 1dq4 n ALA 70 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1dq4 n ALA 70 Cb 0.60 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.25 1dq4 n ALA 70 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1dq4 s ASP 71 N 0.88 2.93 -0.25 0.00 -4.77 -1.26 -4.83 116.67 109.36 1dq4 s ASP 71 Ca 0.00 0.14 -0.03 0.00 -3.30 0.00 0.00 52.55 49.36 1dq4 s ASP 71 Cb 0.00 -0.12 0.14 0.00 -1.09 0.00 0.00 42.92 41.86 1dq4 s ASP 71 CO 0.00 -2.84 0.44 -0.44 0.70 0.00 0.00 175.17 173.03 1dq4 s SER 72 N -4.94 -0.19 -0.13 2.11 0.01 -1.26 -3.46 113.70 105.83 1dq4 s SER 72 Ca 0.76 0.45 -0.19 0.00 1.31 0.00 0.00 55.95 58.28 1dq4 s SER 72 Cb -0.03 1.40 -0.04 0.00 0.21 0.00 0.00 66.02 67.56 1dq4 s SER 72 CO 0.53 -0.28 0.54 0.00 0.41 0.00 0.00 173.24 174.43 1dq4 s ALA 73 N 2.63 3.47 0.03 1.44 0.00 -0.35 -4.89 121.76 124.10 1dq4 s ALA 73 Ca 0.13 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1dq4 s ALA 73 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1dq4 s ALA 73 CO -0.17 -0.16 -0.18 0.95 0.00 0.00 0.00 175.76 176.20 1dq4 s THR 74 N 0.98 1.46 -0.11 0.00 -4.23 -1.26 -0.32 115.64 112.16 1dq4 s THR 74 Ca 0.28 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1dq4 s THR 74 Cb -0.16 -1.27 0.05 0.00 1.34 0.00 0.00 72.50 72.46 1dq4 s THR 74 CO 0.11 0.19 0.25 0.54 -0.54 0.00 0.00 174.62 175.17 1dq4 s VAL 75 N -0.73 -0.19 0.28 2.29 0.11 -0.63 -4.80 120.40 116.73 1dq4 s VAL 75 Ca 0.06 0.21 0.11 0.00 -2.93 0.00 0.00 61.98 59.43 1dq4 s VAL 75 Cb -0.08 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1dq4 s VAL 75 CO 0.01 0.09 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.27 1dq4 s SER 76 N 1.73 3.81 -0.29 3.54 0.01 -1.26 -1.32 113.70 119.93 1dq4 s SER 76 Ca -0.05 -0.94 -0.07 0.00 1.31 0.00 0.00 55.95 56.20 1dq4 s SER 76 Cb -0.11 -0.42 0.15 0.00 0.21 0.00 0.00 66.02 65.84 1dq4 s SER 76 CO -0.08 0.03 0.61 -0.47 0.41 0.00 0.00 173.24 173.73 1dq4 s TYR 77 N -2.47 -1.37 -0.22 2.43 5.04 0.99 -4.94 117.35 116.81 1dq4 s TYR 77 Ca 0.30 2.04 -0.29 0.00 -2.44 0.00 0.00 57.07 56.68 1dq4 s TYR 77 Cb -0.05 0.67 -0.03 0.00 0.35 0.00 0.00 41.96 42.90 1dq4 s TYR 77 CO 0.16 -0.72 1.76 -0.51 -1.34 0.00 0.00 175.55 174.89 1dq4 s ASP 78 N 2.85 6.17 -0.19 4.32 1.01 -1.26 -0.96 116.67 128.61 1dq4 s ASP 78 Ca 0.03 1.66 -0.17 0.00 0.71 0.00 0.00 52.55 54.79 1dq4 s ASP 78 Cb -0.13 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1dq4 s ASP 78 CO -0.19 -1.43 0.49 0.54 0.21 0.00 0.00 175.17 174.80 1dq4 s VAL 79 N 5.88 -0.00 -0.55 -1.27 0.11 0.06 -4.95 120.40 119.68 1dq4 s VAL 79 Ca 0.78 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.68 1dq4 s VAL 79 Cb -0.27 -0.69 0.13 0.00 -1.53 0.00 0.00 36.38 34.02 1dq4 s VAL 79 CO 0.32 0.00 0.50 -0.62 -3.33 0.00 0.00 175.10 171.97 1dq4 s ASP 80 N 0.35 6.19 0.33 3.54 2.15 -1.26 -4.13 116.67 123.84 1dq4 s ASP 80 Ca -0.01 -1.83 0.23 0.00 0.43 0.00 0.00 52.55 51.37 1dq4 s ASP 80 Cb -0.04 -2.20 1.20 0.00 -0.30 0.00 0.00 42.92 41.58 1dq4 s ASP 80 CO -0.00 -0.84 1.69 0.18 -0.17 0.00 0.00 175.17 176.03 1dq4 n LEU 81 N 5.19 0.60 0.23 -1.34 4.77 -1.26 -1.57 117.00 123.62 1dq4 n LEU 81 Ca -0.13 0.76 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 1dq4 n LEU 81 Cb 0.40 -0.82 0.53 0.00 -2.33 0.00 0.00 43.42 41.21 1dq4 n LEU 81 CO 0.53 -0.93 0.89 0.44 -1.33 0.00 0.00 177.39 176.99 1dq4 h ASP 82 N 0.00 0.00 0.81 -1.43 5.19 -1.91 0.20 116.42 119.28 1dq4 h ASP 82 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1dq4 h ASP 82 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1dq4 h ASP 82 CO 0.00 0.20 -1.23 0.59 -3.12 0.00 0.00 179.24 175.68 1dq4 n ASN 83 N -4.11 0.75 -0.10 6.45 3.02 -0.61 -4.59 115.26 116.07 1dq4 n ASN 83 Ca -0.02 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.67 1dq4 n ASN 83 Cb 0.27 0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 1dq4 n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1dq4 n VAL 84 N -2.69 1.49 -3.08 2.41 0.31 -0.90 -5.02 118.33 110.84 1dq4 n VAL 84 Ca -0.03 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 1dq4 n VAL 84 Cb 0.63 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1dq4 n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dq4 s LEU 85 N -7.88 3.92 0.91 7.52 1.43 0.67 -5.00 118.68 120.26 1dq4 s LEU 85 Ca -0.28 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1dq4 s LEU 85 Cb 0.07 -3.74 0.14 0.00 0.03 0.00 0.00 46.19 42.69 1dq4 s LEU 85 CO 0.43 -0.32 1.14 -2.16 0.23 0.00 0.00 176.35 175.67 1dq4 s PRO 86 N -3.83 1.13 0.15 1.29 0.04 -1.26 -4.74 135.00 127.79 1dq4 s PRO 86 Ca 0.47 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1dq4 s PRO 86 Cb -0.10 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1dq4 s PRO 86 CO 0.32 -2.20 1.73 1.49 0.04 0.00 0.00 177.00 178.38 1dq4 h GLU 87 N -1.50 0.70 -5.13 4.56 4.81 -1.94 -3.41 114.58 112.66 1dq4 h GLU 87 Ca -0.51 -0.11 -0.64 0.00 -0.13 0.00 0.00 59.36 57.98 1dq4 h GLU 87 Cb 1.33 -0.12 -0.21 0.00 0.63 0.00 0.00 28.75 30.38 1dq4 h GLU 87 CO 0.62 0.60 -0.62 -1.58 -0.73 0.00 0.00 179.01 177.29 1dq4 s TRP 88 N -5.68 3.10 0.24 0.92 0.52 -1.26 -2.35 118.94 114.44 1dq4 s TRP 88 Ca -0.13 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1dq4 s TRP 88 Cb 0.11 -2.12 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 1dq4 s TRP 88 CO 0.76 -0.15 0.10 1.33 0.02 0.00 0.00 176.95 179.02 1dq4 n VAL 89 N 4.19 0.00 -3.89 4.03 0.24 0.38 -4.13 118.33 119.16 1dq4 n VAL 89 Ca -0.17 -1.45 -0.14 0.00 -2.04 0.00 0.00 64.34 60.54 1dq4 n VAL 89 Cb 0.52 0.56 -0.15 0.00 -1.47 0.00 0.00 33.84 33.30 1dq4 n VAL 89 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1dq4 s ARG 90 N -2.92 0.08 0.20 7.34 3.52 -0.09 0.12 118.95 127.20 1dq4 s ARG 90 Ca 0.15 0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.83 1dq4 s ARG 90 Cb 0.01 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 1dq4 s ARG 90 CO 0.10 -0.05 0.29 0.14 -0.81 0.00 0.00 175.30 174.97 1dq4 s VAL 91 N 0.41 5.12 0.09 7.11 -7.23 -1.26 -1.69 120.40 122.95 1dq4 s VAL 91 Ca -0.04 -0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1dq4 s VAL 91 Cb -0.06 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.25 1dq4 s VAL 91 CO -0.01 -0.21 0.87 0.61 -0.31 0.00 0.00 175.10 176.05 1dq4 n GLY 92 N -0.92 0.60 3.20 2.32 0.00 -0.35 -1.60 105.19 108.44 1dq4 n GLY 92 Ca -0.08 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 1dq4 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dq4 s LEU 93 N 0.00 2.05 0.19 0.99 1.43 -0.71 -1.26 118.68 121.37 1dq4 s LEU 93 Ca 0.20 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1dq4 s LEU 93 Cb -0.02 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1dq4 s LEU 93 CO 0.03 0.23 -0.09 -0.55 0.23 0.00 0.00 176.35 176.20 1dq4 s SER 94 N -0.54 2.09 -0.12 2.29 0.15 0.01 -1.64 113.70 115.94 1dq4 s SER 94 Ca 0.07 -1.07 -0.30 0.00 0.70 0.00 0.00 55.95 55.35 1dq4 s SER 94 Cb -0.08 -0.05 0.09 0.00 -1.71 0.00 0.00 66.02 64.27 1dq4 s SER 94 CO -0.00 -0.33 0.81 0.00 1.20 0.00 0.00 173.24 174.92 1dq4 s ALA 95 N -3.22 -1.84 -0.09 5.45 0.00 -0.76 -1.75 121.76 119.55 1dq4 s ALA 95 Ca 0.22 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 1dq4 s ALA 95 Cb 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1dq4 s ALA 95 CO 0.05 -0.34 0.27 -1.54 0.00 0.00 0.00 175.76 174.20 1dq4 s SER 96 N -0.92 -0.25 0.14 0.00 1.04 -0.69 -1.51 113.70 111.50 1dq4 s SER 96 Ca -0.06 0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1dq4 s SER 96 Cb -0.01 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1dq4 s SER 96 CO 0.05 -0.15 -0.09 0.42 0.98 0.00 0.00 173.24 174.45 1dq4 s THR 97 N -0.12 3.33 0.00 2.02 -4.23 -0.56 -2.59 115.64 113.50 1dq4 s THR 97 Ca -0.03 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1dq4 s THR 97 Cb -0.03 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1dq4 s THR 97 CO 0.01 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1dq4 n GLY 98 N 0.37 0.97 0.23 3.99 0.00 -0.96 -3.67 105.19 106.13 1dq4 n GLY 98 Ca -0.12 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.41 1dq4 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dq4 n LEU 99 N 0.00 0.69 -4.92 0.99 7.99 -1.26 -3.34 117.00 117.14 1dq4 n LEU 99 Ca 0.00 -0.30 -0.29 0.00 -0.01 0.00 0.00 56.01 55.42 1dq4 n LEU 99 Cb 0.00 -0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.22 1dq4 n LEU 99 CO 0.00 0.15 -0.02 -0.31 -1.51 0.00 0.00 177.39 175.69 1dq4 s TYR 100 N -1.90 3.49 -0.27 -1.77 1.51 -1.26 -5.00 117.35 112.14 1dq4 s TYR 100 Ca 0.26 0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 56.41 1dq4 s TYR 100 Cb 0.13 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1dq4 s TYR 100 CO 0.21 0.45 0.85 0.21 -1.11 0.00 0.00 175.55 176.15 1dq4 s LYS 101 N -3.04 4.09 0.02 -0.62 2.20 -1.26 -4.91 119.74 116.23 1dq4 s LYS 101 Ca 0.38 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 56.54 1dq4 s LYS 101 Cb -0.12 -3.68 0.10 0.00 -1.51 0.00 0.00 37.83 32.62 1dq4 s LYS 101 CO 0.28 -0.62 0.95 -1.83 -0.36 0.00 0.00 175.35 173.77 1dq4 s GLU 102 N 2.98 0.87 0.16 4.03 -1.05 -1.26 -3.82 118.70 120.60 1dq4 s GLU 102 Ca 0.35 -0.38 0.10 0.00 -0.15 0.00 0.00 54.97 54.89 1dq4 s GLU 102 Cb -0.15 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 1dq4 s GLU 102 CO 0.10 -0.39 -0.22 0.95 0.95 0.00 0.00 175.26 176.65 1dq4 s THR 103 N -3.09 2.05 -0.56 1.83 -4.23 -0.67 -4.89 115.64 106.09 1dq4 s THR 103 Ca 0.08 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1dq4 s THR 103 Cb -0.01 -1.92 0.17 0.00 1.34 0.00 0.00 72.50 72.08 1dq4 s THR 103 CO -0.06 -0.15 0.41 0.20 -0.54 0.00 0.00 174.62 174.49 1dq4 s ASN 104 N -2.46 3.26 -0.25 3.99 -0.87 -1.26 -3.43 114.94 113.92 1dq4 s ASN 104 Ca 0.16 -3.45 -0.14 0.00 -1.57 0.00 0.00 52.86 47.85 1dq4 s ASN 104 Cb -0.08 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.25 40.04 1dq4 s ASN 104 CO 0.07 -0.13 0.35 -0.89 -2.57 0.00 0.00 177.10 173.93 1dq4 s THR 105 N -0.70 5.21 -0.34 1.60 2.01 -1.08 -1.60 115.64 120.74 1dq4 s THR 105 Ca 0.28 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 1dq4 s THR 105 Cb -0.02 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1dq4 s THR 105 CO -0.17 0.21 0.38 -0.63 -0.69 0.00 0.00 174.62 173.72 1dq4 s ILE 106 N 1.70 5.15 0.05 1.82 -1.09 0.52 -1.79 121.20 127.55 1dq4 s ILE 106 Ca 0.15 0.13 0.07 0.00 -2.23 0.00 0.00 60.65 58.77 1dq4 s ILE 106 Cb -0.15 -3.83 -0.23 0.00 -1.58 0.00 0.00 42.46 36.67 1dq4 s ILE 106 CO 0.09 -0.09 1.03 -0.07 -1.23 0.00 0.00 174.94 174.67 1dq4 h LEU 107 N 8.78 0.07 -7.30 2.97 4.07 -0.92 -1.93 115.31 121.05 1dq4 h LEU 107 Ca -0.30 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.52 1dq4 h LEU 107 Cb 1.14 -0.02 -0.13 0.00 1.08 0.00 0.00 40.66 42.73 1dq4 h LEU 107 CO 0.70 1.08 -0.01 -0.94 -1.08 0.00 0.00 178.44 178.18 1dq4 s SER 108 N -6.57 -0.32 -0.28 -0.43 1.04 -1.23 -4.49 113.70 101.41 1dq4 s SER 108 Ca -0.02 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1dq4 s SER 108 Cb 0.09 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.79 1dq4 s SER 108 CO 0.83 -0.84 0.71 0.86 0.98 0.00 0.00 173.24 175.77 1dq4 s TRP 109 N -3.52 -1.06 0.02 5.02 -0.00 -0.31 -2.71 118.94 116.37 1dq4 s TRP 109 Ca 0.01 2.08 -0.01 0.00 -0.00 0.00 0.00 56.10 58.18 1dq4 s TRP 109 Cb 0.01 0.63 -0.02 0.00 -0.00 0.00 0.00 33.47 34.10 1dq4 s TRP 109 CO -0.10 -0.53 -0.00 -1.54 -0.00 0.00 0.00 176.95 174.78 1dq4 s SER 110 N 1.76 0.19 0.02 5.86 1.04 -0.62 0.44 113.70 122.38 1dq4 s SER 110 Ca -0.09 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1dq4 s SER 110 Cb -0.06 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1dq4 s SER 110 CO -0.20 -0.29 0.04 0.12 0.98 0.00 0.00 173.24 173.89 1dq4 s PHE 111 N -1.35 0.21 -0.11 5.02 5.36 -0.68 -1.88 117.98 124.56 1dq4 s PHE 111 Ca -0.15 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.32 1dq4 s PHE 111 Cb -0.09 -0.16 0.05 0.00 -0.34 0.00 0.00 43.02 42.48 1dq4 s PHE 111 CO -0.01 -0.26 0.23 0.99 -1.46 0.00 0.00 175.22 174.71 1dq4 s THR 112 N -1.80 -0.21 -0.02 0.12 2.01 -0.49 -2.30 115.64 112.96 1dq4 s THR 112 Ca -0.12 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1dq4 s THR 112 Cb -0.07 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1dq4 s THR 112 CO -0.01 0.10 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.27 1dq4 s SER 113 N 1.82 2.30 -0.02 3.53 0.15 -0.78 -1.14 113.70 119.56 1dq4 s SER 113 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1dq4 s SER 113 Cb -0.11 -0.34 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1dq4 s SER 113 CO -0.08 0.22 0.03 -0.54 1.20 0.00 0.00 173.24 174.07 1dq4 s LYS 114 N -0.35 -0.02 -0.26 5.44 1.02 0.02 -2.15 119.74 123.44 1dq4 s LYS 114 Ca 0.05 0.18 -0.00 0.00 0.02 0.00 0.00 55.97 56.21 1dq4 s LYS 114 Cb -0.09 -0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1dq4 s LYS 114 CO -0.00 -0.16 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.69 1dq4 s LEU 115 N 1.04 3.30 -0.27 3.17 1.43 0.11 -1.79 118.68 125.67 1dq4 s LEU 115 Ca -0.09 -1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 51.89 1dq4 s LEU 115 Cb -0.13 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1dq4 s LEU 115 CO -0.03 -0.16 0.07 -0.54 0.23 0.00 0.00 176.35 175.92 1dq4 s LYS 116 N 1.26 3.37 0.78 1.70 1.02 -0.65 -1.12 119.74 126.10 1dq4 s LYS 116 Ca -0.03 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 1dq4 s LYS 116 Cb -0.18 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 33.89 1dq4 s LYS 116 CO -0.05 -0.31 1.12 -1.12 -0.92 0.00 0.00 175.35 174.08 1dq4 s SER 117 N 1.55 4.50 0.49 2.83 0.01 -1.05 -0.20 113.70 121.84 1dq4 s SER 117 Ca 0.05 0.59 0.27 0.00 1.31 0.00 0.00 55.95 58.17 1dq4 s SER 117 Cb -0.16 -1.10 1.23 0.00 0.21 0.00 0.00 66.02 66.20 1dq4 s SER 117 CO 0.02 -1.86 1.96 -0.55 0.41 0.00 0.00 173.24 173.23 1dq4 h ASN 118 N -0.92 0.00 -3.92 2.44 -0.00 -1.92 -3.41 115.58 107.84 1dq4 h ASN 118 Ca -0.45 0.00 -0.44 0.00 -0.00 0.00 0.00 56.30 55.41 1dq4 h ASN 118 Cb 1.32 0.00 0.17 0.00 -0.00 0.00 0.00 38.32 39.81 1dq4 h ASN 118 CO 0.61 0.16 0.39 -0.94 -0.00 0.00 0.00 177.43 177.65 1dq4 s SER 119 N -6.10 2.75 0.03 6.14 1.04 -1.26 -5.04 113.70 111.26 1dq4 s SER 119 Ca -0.01 0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.42 1dq4 s SER 119 Cb 0.11 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1dq4 s SER 119 CO 0.60 -2.96 0.85 -0.89 0.98 0.00 0.00 173.24 171.82 1dq4 s THR 120 N -3.81 4.75 -1.47 2.02 2.01 -1.26 -4.07 115.64 113.81 1dq4 s THR 120 Ca 0.74 1.81 -0.11 0.00 0.31 0.00 0.00 61.69 64.45 1dq4 s THR 120 Cb -0.04 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.33 1dq4 s THR 120 CO 0.54 0.29 0.82 1.41 -0.69 0.00 0.00 174.62 176.99 1dq4 n HIS 121 N 3.19 -2.17 -2.35 4.92 8.25 -1.26 -4.92 115.22 120.88 1dq4 n HIS 121 Ca 0.01 0.75 -0.39 0.00 -0.26 0.00 0.00 57.72 57.82 1dq4 n HIS 121 Cb 0.50 -3.90 0.02 0.00 1.12 0.00 0.00 29.99 27.74 1dq4 n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1dq4 n GLU 122 N -4.38 4.15 -3.50 -0.41 -0.58 -1.26 -5.01 120.64 109.66 1dq4 n GLU 122 Ca 0.00 -4.20 -0.37 0.00 -0.42 0.00 0.00 57.16 52.17 1dq4 n GLU 122 Cb 0.55 -2.37 -0.06 0.00 -0.57 0.00 0.00 31.44 28.99 1dq4 n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1dq4 s THR 123 N -4.70 5.18 -0.08 2.62 2.01 -1.26 -2.53 115.64 116.88 1dq4 s THR 123 Ca 0.45 0.73 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1dq4 s THR 123 Cb 0.31 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1dq4 s THR 123 CO -0.25 0.47 -0.21 0.20 -0.69 0.00 0.00 174.62 174.13 1dq4 s ASN 124 N -0.24 3.35 0.07 3.53 -0.87 -0.28 -4.98 114.94 115.52 1dq4 s ASN 124 Ca 0.21 -0.45 -0.10 0.00 -1.57 0.00 0.00 52.86 50.95 1dq4 s ASN 124 Cb -0.15 -1.09 0.01 0.00 -0.02 0.00 0.00 41.25 39.99 1dq4 s ASN 124 CO 0.09 0.23 0.23 0.00 -2.57 0.00 0.00 177.10 175.08 1dq4 s ALA 125 N -0.04 -0.40 0.01 0.60 0.00 -1.26 -0.71 121.76 119.96 1dq4 s ALA 125 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1dq4 s ALA 125 Cb -0.15 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1dq4 s ALA 125 CO 0.05 -0.46 -0.06 -1.17 0.00 0.00 0.00 175.76 174.12 1dq4 s LEU 126 N -2.50 2.11 -0.30 0.00 2.96 -0.91 -5.00 118.68 115.04 1dq4 s LEU 126 Ca 0.00 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1dq4 s LEU 126 Cb 0.02 -0.20 0.17 0.00 0.50 0.00 0.00 46.19 46.68 1dq4 s LEU 126 CO -0.08 -0.05 0.62 -2.28 -1.32 0.00 0.00 176.35 173.24 1dq4 s HIS 127 N -0.64 -1.53 0.22 5.38 5.65 -1.26 -1.86 115.29 121.26 1dq4 s HIS 127 Ca -0.03 1.87 0.09 0.00 0.25 0.00 0.00 55.06 57.24 1dq4 s HIS 127 Cb -0.05 0.63 -0.04 0.00 -1.18 0.00 0.00 32.58 31.93 1dq4 s HIS 127 CO 0.00 -0.82 -0.05 -0.59 -0.65 0.00 0.00 174.74 172.63 1dq4 s PHE 128 N 2.87 2.66 -0.28 3.88 -0.12 -0.97 -4.98 117.98 121.04 1dq4 s PHE 128 Ca 0.14 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1dq4 s PHE 128 Cb -0.14 -1.24 0.16 0.00 -0.63 0.00 0.00 43.02 41.17 1dq4 s PHE 128 CO -0.20 0.57 0.41 1.41 -0.05 0.00 0.00 175.22 177.37 1dq4 s MET 129 N -3.26 0.41 -0.20 1.99 1.75 -1.26 -1.69 119.30 117.04 1dq4 s MET 129 Ca 0.28 0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 54.84 1dq4 s MET 129 Cb -0.08 -0.29 -0.04 0.00 2.84 0.00 0.00 34.83 37.26 1dq4 s MET 129 CO 0.18 -0.94 0.30 -0.06 -0.65 0.00 0.00 175.02 173.84 1dq4 s PHE 130 N 2.56 3.38 0.00 4.11 0.08 0.17 -4.89 117.98 123.40 1dq4 s PHE 130 Ca 0.11 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.65 1dq4 s PHE 130 Cb -0.13 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 1dq4 s PHE 130 CO -0.27 0.09 0.30 0.09 -0.10 0.00 0.00 175.22 175.33 1dq4 n ASN 131 N 4.14 0.60 -3.15 1.36 4.13 -1.26 -1.16 115.26 119.93 1dq4 n ASN 131 Ca -0.11 -0.86 0.05 0.00 1.68 0.00 0.00 54.58 55.33 1dq4 n ASN 131 Cb 0.52 0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.93 1dq4 n ASN 131 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1dq4 s GLN 132 N -0.18 0.42 0.23 3.52 0.74 -1.26 -4.86 119.66 118.27 1dq4 s GLN 132 Ca 0.00 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.73 1dq4 s GLN 132 Cb 0.00 0.31 -0.09 0.00 1.10 0.00 0.00 33.01 34.33 1dq4 s GLN 132 CO 0.00 -0.60 0.88 -0.06 -0.55 0.00 0.00 175.29 174.96 1dq4 s PHE 133 N 2.89 3.90 0.44 1.67 0.40 -0.60 -4.98 117.98 121.70 1dq4 s PHE 133 Ca 0.14 1.79 0.07 0.00 -0.60 0.00 0.00 56.93 58.33 1dq4 s PHE 133 Cb -0.10 -2.89 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 1dq4 s PHE 133 CO -0.21 0.43 0.28 -1.54 0.70 0.00 0.00 175.22 174.89 1dq4 s SER 134 N -1.26 4.67 0.20 1.36 1.04 -1.26 -3.83 113.70 114.61 1dq4 s SER 134 Ca 0.41 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 1dq4 s SER 134 Cb -0.24 -0.35 0.20 0.00 0.10 0.00 0.00 66.02 65.73 1dq4 s SER 134 CO 0.29 -0.68 1.79 0.50 0.98 0.00 0.00 173.24 176.12 1dq4 h LYS 135 N 1.18 0.54 -3.48 4.02 3.11 -1.88 -3.21 116.57 116.85 1dq4 h LYS 135 Ca -0.41 -0.03 -0.72 0.00 -2.81 0.00 0.00 60.65 56.67 1dq4 h LYS 135 Cb 1.27 -0.12 -0.34 0.00 -1.00 0.00 0.00 32.23 32.04 1dq4 h LYS 135 CO 0.64 0.36 -0.13 0.34 -2.81 0.00 0.00 179.45 177.85 1dq4 s ASP 136 N -5.52 5.90 -1.02 4.20 2.15 -1.26 -4.78 116.67 116.34 1dq4 s ASP 136 Ca -0.13 -3.28 -0.12 0.00 0.43 0.00 0.00 52.55 49.45 1dq4 s ASP 136 Cb 0.15 -1.95 0.24 0.00 -0.30 0.00 0.00 42.92 41.06 1dq4 s ASP 136 CO 0.75 -0.30 1.04 -1.58 -0.17 0.00 0.00 175.17 174.90 1dq4 s GLN 137 N -0.70 3.96 0.59 4.34 2.00 -1.24 -4.89 119.66 123.71 1dq4 s GLN 137 Ca 0.23 -2.81 0.36 0.00 -2.00 0.00 0.00 55.36 51.14 1dq4 s GLN 137 Cb -0.12 -4.60 1.84 0.00 0.80 0.00 0.00 33.01 30.93 1dq4 s GLN 137 CO -0.08 -1.35 2.18 0.87 -0.50 0.00 0.00 175.29 176.41 1dq4 h LYS 138 N 7.23 0.00 -0.61 1.67 1.57 -1.94 -2.87 116.57 121.63 1dq4 h LYS 138 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1dq4 h LYS 138 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1dq4 h LYS 138 CO 0.96 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 179.48 1dq4 n ASP 139 N -3.32 2.55 -4.05 0.86 5.68 -1.26 -4.82 116.55 112.18 1dq4 n ASP 139 Ca -0.02 -2.24 -0.24 0.00 -0.50 0.00 0.00 54.79 51.79 1dq4 n ASP 139 Cb 0.18 -0.43 -0.16 0.00 -1.14 0.00 0.00 41.12 39.57 1dq4 n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dq4 s LEU 140 N -1.13 1.77 -0.48 -2.12 1.43 -1.08 -1.76 118.68 115.30 1dq4 s LEU 140 Ca 0.23 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1dq4 s LEU 140 Cb 0.16 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1dq4 s LEU 140 CO 0.11 0.08 0.57 -0.63 0.23 0.00 0.00 176.35 176.70 1dq4 s ILE 141 N 0.33 4.95 -0.24 -0.59 1.01 0.16 -4.88 121.20 121.94 1dq4 s ILE 141 Ca -0.08 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1dq4 s ILE 141 Cb -0.12 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1dq4 s ILE 141 CO 0.02 -0.70 0.47 -0.76 0.00 0.00 0.00 174.94 173.97 1dq4 s LEU 142 N 2.45 4.09 0.18 2.97 1.43 -1.26 -0.98 118.68 127.56 1dq4 s LEU 142 Ca 0.14 0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1dq4 s LEU 142 Cb -0.19 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1dq4 s LEU 142 CO 0.12 -0.20 -0.20 -1.10 0.23 0.00 0.00 176.35 175.21 1dq4 s GLN 143 N 1.91 1.69 4.84 1.70 -0.21 0.99 -4.96 119.66 125.62 1dq4 s GLN 143 Ca 0.20 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.15 1dq4 s GLN 143 Cb -0.15 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1dq4 s GLN 143 CO 0.09 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 1dq4 n GLY 144 N 0.24 1.28 1.26 3.09 0.00 -1.26 0.34 105.19 110.14 1dq4 n GLY 144 Ca -0.12 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.24 1dq4 n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dq4 n ASP 145 N 3.19 3.67 -4.77 1.61 8.00 -0.55 -4.91 116.55 122.79 1dq4 n ASP 145 Ca 0.00 -2.39 -0.39 0.00 0.71 0.00 0.00 54.79 52.72 1dq4 n ASP 145 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.56 1dq4 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dq4 s ALA 146 N -1.87 3.26 0.20 2.24 0.00 -0.99 -3.96 121.76 120.64 1dq4 s ALA 146 Ca 0.36 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1dq4 s ALA 146 Cb 0.24 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1dq4 s ALA 146 CO 0.16 -0.51 0.43 0.95 0.00 0.00 0.00 175.76 176.78 1dq4 s THR 147 N -1.32 0.03 0.28 0.00 -4.23 0.48 -4.78 115.64 106.11 1dq4 s THR 147 Ca 0.54 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1dq4 s THR 147 Cb -0.33 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 1dq4 s THR 147 CO 0.42 -0.15 0.06 0.42 -0.54 0.00 0.00 174.62 174.83 1dq4 s THR 148 N -3.95 0.94 0.00 3.99 -4.23 -1.26 -0.72 115.64 110.41 1dq4 s THR 148 Ca 0.16 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1dq4 s THR 148 Cb 0.01 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1dq4 s THR 148 CO 0.02 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1dq4 n GLY 149 N -0.56 3.04 3.55 3.99 0.00 -1.08 -4.52 105.19 109.61 1dq4 n GLY 149 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1dq4 n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dq4 s THR 150 N -2.05 3.11 -0.51 2.61 2.01 -1.25 -1.48 115.64 118.08 1dq4 s THR 150 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1dq4 s THR 150 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1dq4 s THR 150 CO 0.00 -0.27 0.00 0.47 -0.69 0.00 0.00 174.62 174.13 1dq4 n ASP 151 N 16.24 -4.43 -1.05 3.53 8.00 -1.26 -1.84 116.55 135.73 1dq4 n ASP 151 Ca 0.39 0.12 -0.07 0.00 0.71 0.00 0.00 54.79 55.94 1dq4 n ASP 151 Cb 0.49 -2.36 0.01 0.00 -0.02 0.00 0.00 41.12 39.24 1dq4 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dq4 n GLY 152 N -1.27 0.32 3.53 0.44 0.00 -0.55 -4.96 105.19 102.70 1dq4 n GLY 152 Ca -0.05 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1dq4 n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dq4 s ASN 153 N -2.91 2.94 -0.27 1.61 0.01 -0.77 -1.56 114.94 114.00 1dq4 s ASN 153 Ca 0.09 -1.43 -0.06 0.00 -0.71 0.00 0.00 52.86 50.74 1dq4 s ASN 153 Cb -0.04 -0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.57 1dq4 s ASN 153 CO 0.11 -0.62 0.05 -0.22 -1.51 0.00 0.00 177.10 174.91 1dq4 s LEU 154 N -3.59 3.55 -0.48 0.60 2.96 -0.73 -2.64 118.68 118.36 1dq4 s LEU 154 Ca 0.32 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 1dq4 s LEU 154 Cb 0.08 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 44.99 1dq4 s LEU 154 CO 0.15 -0.11 0.39 -1.61 -1.32 0.00 0.00 176.35 173.84 1dq4 s GLU 155 N 1.53 2.88 0.01 1.98 0.41 0.10 -0.36 118.70 125.25 1dq4 s GLU 155 Ca 0.04 -1.47 -0.25 0.00 -0.41 0.00 0.00 54.97 52.88 1dq4 s GLU 155 Cb -0.16 -4.09 -0.17 0.00 -1.78 0.00 0.00 34.13 27.93 1dq4 s GLU 155 CO 0.02 -1.09 1.26 -0.07 -0.49 0.00 0.00 175.26 174.89 1dq4 h LEU 156 N 8.70 -0.25-10.15 1.80 3.38 -1.56 0.14 115.31 117.37 1dq4 h LEU 156 Ca -0.27 -0.23 -0.49 0.00 0.09 0.00 0.00 57.88 56.98 1dq4 h LEU 156 Cb 1.10 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1dq4 h LEU 156 CO 0.89 0.12 -0.42 0.42 0.09 0.00 0.00 178.44 179.54 1dq4 s THR 157 N -4.64 5.27 0.17 0.22 -4.23 -1.26 -2.34 115.64 108.83 1dq4 s THR 157 Ca -0.14 -0.84 -0.33 0.00 -1.18 0.00 0.00 61.69 59.20 1dq4 s THR 157 Cb 0.02 -3.82 -0.15 0.00 1.34 0.00 0.00 72.50 69.89 1dq4 s THR 157 CO 0.58 -0.27 1.30 -1.14 -0.54 0.00 0.00 174.62 174.55 1dq4 n ARG 158 N -1.14 1.49 -2.67 3.99 0.63 -1.25 -4.69 116.66 113.00 1dq4 n ARG 158 Ca -0.08 0.53 -0.34 0.00 -0.92 0.00 0.00 57.85 57.04 1dq4 n ARG 158 Cb 0.56 -2.12 -0.00 0.00 0.45 0.00 0.00 32.46 31.34 1dq4 n ARG 158 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1dq4 n VAL 159 N 1.99 4.26 -1.34 5.15 3.14 -1.26 -4.88 118.33 125.39 1dq4 n VAL 159 Ca 0.15 -5.55 -0.25 0.00 -2.96 0.00 0.00 64.34 55.73 1dq4 n VAL 159 Cb 0.26 -1.43 -0.18 0.00 -1.06 0.00 0.00 33.84 31.43 1dq4 n VAL 159 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1dq4 n SER 168 N -0.23 -0.81 -4.72 6.55 7.64 -1.21 -5.20 113.62 115.64 1dq4 n SER 168 Ca 0.40 -0.28 -0.27 0.00 1.01 0.00 0.00 58.87 59.73 1dq4 n SER 168 Cb 0.35 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 1dq4 n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1dq4 s SER 169 N 2.61 5.13 -0.15 6.43 0.15 -1.24 -4.93 113.70 121.69 1dq4 s SER 169 Ca 1.19 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 57.54 1dq4 s SER 169 Cb -0.88 -1.22 0.07 0.00 -1.71 0.00 0.00 66.02 62.28 1dq4 s SER 169 CO 0.49 0.10 0.33 -0.69 1.20 0.00 0.00 173.24 174.66 1dq4 s VAL 170 N -1.66 -0.44 0.11 4.45 1.01 -1.26 -1.49 120.40 121.11 1dq4 s VAL 170 Ca 0.29 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1dq4 s VAL 170 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1dq4 s VAL 170 CO 0.20 0.09 -0.08 -0.83 0.00 0.00 0.00 175.10 174.49 1dq4 s GLY 171 N 2.33 0.83 0.05 4.51 0.00 -0.57 -1.48 107.32 113.00 1dq4 s GLY 171 Ca -0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 44.72 43.27 1dq4 s GLY 171 CO -0.10 -1.44 0.19 0.50 0.00 0.00 0.00 173.10 172.25 1dq4 s ARG 172 N -3.61 0.74 -0.26 2.90 0.52 0.15 -1.83 118.95 117.55 1dq4 s ARG 172 Ca 0.11 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1dq4 s ARG 172 Cb 0.03 0.30 0.13 0.00 0.52 0.00 0.00 34.95 35.94 1dq4 s ARG 172 CO -0.03 -0.22 0.34 0.00 0.02 0.00 0.00 175.30 175.41 1dq4 s ALA 173 N -2.95 -0.85 0.07 2.13 0.00 -0.65 -0.01 121.76 119.51 1dq4 s ALA 173 Ca -0.02 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1dq4 s ALA 173 Cb 0.01 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1dq4 s ALA 173 CO -0.06 -1.48 0.02 -0.51 0.00 0.00 0.00 175.76 173.72 1dq4 s LEU 174 N 2.47 3.54 0.33 0.00 1.02 -0.15 -1.74 118.68 124.15 1dq4 s LEU 174 Ca 0.10 -0.11 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 1dq4 s LEU 174 Cb -0.14 -2.22 -0.09 0.00 0.02 0.00 0.00 46.19 43.75 1dq4 s LEU 174 CO -0.23 0.19 1.18 0.12 0.02 0.00 0.00 176.35 177.64 1dq4 s PHE 175 N -1.28 3.27 0.10 0.29 5.36 -0.63 0.36 117.98 125.45 1dq4 s PHE 175 Ca 0.25 1.57 -0.27 0.00 -0.96 0.00 0.00 56.93 57.53 1dq4 s PHE 175 Cb -0.12 -3.43 -0.11 0.00 -0.34 0.00 0.00 43.02 39.02 1dq4 s PHE 175 CO 0.17 -1.17 1.67 -0.92 -1.46 0.00 0.00 175.22 173.52 1dq4 h TYR 176 N 3.33 -0.51 -3.20 10.12 3.20 -1.68 -3.44 116.97 124.80 1dq4 h TYR 176 Ca -0.48 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.87 1dq4 h TYR 176 Cb 1.22 0.20 0.02 0.00 1.54 0.00 0.00 36.73 39.71 1dq4 h TYR 176 CO 0.57 -0.29 0.65 0.00 -1.64 0.00 0.00 178.16 177.45 1dq4 s ALA 177 N -6.11 3.51 0.47 1.82 0.00 -1.26 -4.99 121.76 115.20 1dq4 s ALA 177 Ca -0.15 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 1dq4 s ALA 177 Cb 0.07 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1dq4 s ALA 177 CO 0.65 -0.53 1.28 -2.14 0.00 0.00 0.00 175.76 175.02 1dq4 s PRO 178 N 0.62 3.64 -0.13 0.00 0.02 -1.26 -4.84 135.00 133.04 1dq4 s PRO 178 Ca 0.60 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.64 1dq4 s PRO 178 Cb -0.35 -2.48 -0.03 0.00 0.02 0.00 0.00 34.50 31.66 1dq4 s PRO 178 CO 0.33 -0.73 0.00 0.08 -0.33 0.00 0.00 177.00 176.35 1dq4 s VAL 179 N -1.37 4.30 -1.05 3.83 1.01 0.33 -4.92 120.40 122.53 1dq4 s VAL 179 Ca 0.64 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1dq4 s VAL 179 Cb -0.36 -2.86 0.17 0.00 0.00 0.00 0.00 36.38 33.34 1dq4 s VAL 179 CO 0.44 0.54 1.20 -2.28 0.00 0.00 0.00 175.10 175.00 1dq4 s HIS 180 N -0.23 3.48 0.09 5.22 2.46 -1.26 -0.47 115.29 124.58 1dq4 s HIS 180 Ca 0.06 -1.91 -0.25 0.00 0.47 0.00 0.00 55.06 53.43 1dq4 s HIS 180 Cb -0.12 -4.19 -0.15 0.00 -0.13 0.00 0.00 32.58 27.99 1dq4 s HIS 180 CO 0.02 -1.33 1.71 0.82 -2.47 0.00 0.00 174.74 173.50 1dq4 h ILE 181 N 5.00 0.84 -3.40 0.89 2.04 -1.78 -3.46 117.51 117.64 1dq4 h ILE 181 Ca 0.22 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.69 1dq4 h ILE 181 Cb 0.95 0.84 -0.14 0.00 -0.74 0.00 0.00 36.82 37.73 1dq4 h ILE 181 CO 1.10 0.00 -0.63 -1.66 0.00 0.00 0.00 178.15 176.97 1dq4 s TRP 182 N -6.16 1.65 -0.09 1.37 1.48 -1.24 -4.68 118.94 111.26 1dq4 s TRP 182 Ca -0.14 -1.05 -0.16 0.00 -1.06 0.00 0.00 56.10 53.69 1dq4 s TRP 182 Cb 0.06 -1.00 0.04 0.00 -1.16 0.00 0.00 33.47 31.41 1dq4 s TRP 182 CO 0.65 -0.16 0.40 -2.00 -4.06 0.00 0.00 176.95 171.78 1dq4 s GLU 183 N -3.95 0.61 0.44 3.25 2.12 -1.26 -4.85 118.70 115.05 1dq4 s GLU 183 Ca 0.35 0.25 0.23 0.00 0.36 0.00 0.00 54.97 56.16 1dq4 s GLU 183 Cb 0.07 0.28 0.93 0.00 0.26 0.00 0.00 34.13 35.68 1dq4 s GLU 183 CO 0.13 -0.13 1.84 0.77 -0.54 0.00 0.00 175.26 177.32 1dq4 h SER 184 N 4.64 0.00 -0.06 -1.70 0.02 -2.03 -3.16 113.55 111.25 1dq4 h SER 184 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1dq4 h SER 184 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1dq4 h SER 184 CO 0.32 0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 174.71 1dq4 n SER 185 N -3.46 1.93 -4.76 3.07 3.41 -1.26 -4.94 113.62 107.61 1dq4 n SER 185 Ca -0.00 -1.66 -0.39 0.00 -0.26 0.00 0.00 58.87 56.56 1dq4 n SER 185 Cb 0.42 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1dq4 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dq4 s ALA 186 N -1.94 3.48 0.15 7.33 0.00 -1.20 -3.61 121.76 125.98 1dq4 s ALA 186 Ca 0.35 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1dq4 s ALA 186 Cb 0.20 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1dq4 s ALA 186 CO 0.31 0.15 1.34 -0.24 0.00 0.00 0.00 175.76 177.33 1dq4 h VAL 187 N 4.17 1.48 -2.52 0.00 3.04 -0.82 -3.45 116.25 118.15 1dq4 h VAL 187 Ca -0.45 -2.63 -0.10 0.00 -1.01 0.00 0.00 66.70 62.51 1dq4 h VAL 187 Cb 1.20 2.50 -0.27 0.00 -2.01 0.00 0.00 31.29 32.70 1dq4 h VAL 187 CO 0.70 0.77 -0.37 0.54 -1.01 0.00 0.00 177.57 178.20 1dq4 s VAL 188 N -3.17 -0.64 0.04 1.51 0.11 -1.13 -4.80 120.40 112.32 1dq4 s VAL 188 Ca -0.03 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1dq4 s VAL 188 Cb 0.10 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1dq4 s VAL 188 CO 0.84 0.07 -0.12 0.00 -3.33 0.00 0.00 175.10 172.56 1dq4 s ALA 189 N 2.59 2.84 -0.03 1.54 0.00 -1.26 -1.64 121.76 125.80 1dq4 s ALA 189 Ca -0.02 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1dq4 s ALA 189 Cb -0.12 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.15 1dq4 s ALA 189 CO -0.13 0.60 0.73 -1.54 0.00 0.00 0.00 175.76 175.43 1dq4 s SER 190 N -1.59 -0.58 0.10 0.00 1.04 -0.74 0.20 113.70 112.13 1dq4 s SER 190 Ca 0.17 0.52 -0.00 0.00 0.48 0.00 0.00 55.95 57.12 1dq4 s SER 190 Cb -0.11 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1dq4 s SER 190 CO 0.08 -0.62 -0.01 0.72 0.98 0.00 0.00 173.24 174.39 1dq4 s PHE 191 N -1.66 0.78 -0.23 5.02 -0.12 -0.55 -0.80 117.98 120.42 1dq4 s PHE 191 Ca -0.07 -1.07 -0.08 0.00 -0.05 0.00 0.00 56.93 55.65 1dq4 s PHE 191 Cb -0.00 -0.48 0.10 0.00 -0.63 0.00 0.00 43.02 42.00 1dq4 s PHE 191 CO 0.04 -0.35 0.49 -2.00 -0.05 0.00 0.00 175.22 173.36 1dq4 s GLU 192 N -3.94 0.42 0.20 1.99 2.12 -0.29 -1.96 118.70 117.24 1dq4 s GLU 192 Ca 0.15 1.13 0.10 0.00 0.36 0.00 0.00 54.97 56.72 1dq4 s GLU 192 Cb 0.07 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.85 1dq4 s GLU 192 CO -0.04 -0.22 -0.21 0.00 -0.54 0.00 0.00 175.26 174.25 1dq4 s ALA 193 N 2.53 2.39 -0.13 6.30 0.00 -0.02 -1.40 121.76 131.43 1dq4 s ALA 193 Ca -0.04 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.09 1dq4 s ALA 193 Cb -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1dq4 s ALA 193 CO -0.15 0.32 0.47 0.99 0.00 0.00 0.00 175.76 177.40 1dq4 s THR 194 N -2.01 0.01 -0.23 0.00 2.01 -0.79 -1.22 115.64 113.41 1dq4 s THR 194 Ca 0.21 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1dq4 s THR 194 Cb -0.06 -0.71 0.07 0.00 0.01 0.00 0.00 72.50 71.81 1dq4 s THR 194 CO 0.10 -0.06 0.73 0.72 -0.69 0.00 0.00 174.62 175.41 1dq4 s PHE 195 N -0.30 -0.75 -0.21 4.92 -0.71 -1.01 -1.59 117.98 118.32 1dq4 s PHE 195 Ca -0.05 1.75 -0.08 0.00 -1.04 0.00 0.00 56.93 57.51 1dq4 s PHE 195 Cb -0.03 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1dq4 s PHE 195 CO 0.03 -0.41 0.08 0.95 -1.34 0.00 0.00 175.22 174.52 1dq4 s THR 196 N 0.08 4.74 0.47 -4.49 -4.23 -1.10 -1.22 115.64 109.89 1dq4 s THR 196 Ca -0.02 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1dq4 s THR 196 Cb -0.04 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 1dq4 s THR 196 CO 0.02 0.41 0.22 0.72 -0.54 0.00 0.00 174.62 175.44 1dq4 s PHE 197 N 0.84 2.19 -0.29 3.99 -0.71 -0.31 -0.26 117.98 123.43 1dq4 s PHE 197 Ca 0.04 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 1dq4 s PHE 197 Cb -0.13 -1.89 0.19 0.00 -1.21 0.00 0.00 43.02 39.97 1dq4 s PHE 197 CO 0.02 -0.00 0.58 -1.17 -1.34 0.00 0.00 175.22 173.31 1dq4 s LEU 198 N -4.01 -1.35 -0.40 -1.99 0.20 -0.74 -1.71 118.68 108.68 1dq4 s LEU 198 Ca 0.33 0.68 -0.12 0.00 0.69 0.00 0.00 54.13 55.71 1dq4 s LEU 198 Cb 0.02 2.03 0.04 0.00 -0.43 0.00 0.00 46.19 47.85 1dq4 s LEU 198 CO 0.19 -0.27 0.25 -0.63 -0.29 0.00 0.00 176.35 175.60 1dq4 s ILE 199 N 2.82 4.68 -0.16 6.68 1.01 -1.26 -2.64 121.20 132.34 1dq4 s ILE 199 Ca 0.18 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1dq4 s ILE 199 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1dq4 s ILE 199 CO -0.22 -0.34 -0.06 -0.75 0.00 0.00 0.00 174.94 173.58 1dq4 s LYS 200 N 1.56 3.57 -0.04 2.79 2.20 -1.22 -1.29 119.74 127.31 1dq4 s LYS 200 Ca 0.03 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1dq4 s LYS 200 Cb -0.20 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1dq4 s LYS 200 CO 0.06 0.18 0.11 0.45 -0.36 0.00 0.00 175.35 175.79 1dq4 s SER 201 N 0.51 -0.10 0.20 1.43 0.15 -1.26 -1.67 113.70 112.96 1dq4 s SER 201 Ca -0.05 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1dq4 s SER 201 Cb -0.15 0.22 0.15 0.00 -1.71 0.00 0.00 66.02 64.53 1dq4 s SER 201 CO 0.03 -0.06 1.50 1.55 1.20 0.00 0.00 173.24 177.46 1dq4 h PRO 202 N 5.85 0.38 -6.88 5.44 0.13 -2.00 -3.44 132.00 131.48 1dq4 h PRO 202 Ca -0.25 -0.27 -0.51 0.00 -0.87 0.00 0.00 66.00 64.10 1dq4 h PRO 202 Cb 1.20 0.04 0.04 0.00 0.13 0.00 0.00 31.00 32.42 1dq4 h PRO 202 CO 0.44 0.89 0.54 -0.51 -0.23 0.00 0.00 178.00 179.12 1dq4 s ASP 203 N -6.93 6.85 0.44 1.44 1.01 -1.26 -4.95 116.67 113.27 1dq4 s ASP 203 Ca -0.05 2.43 0.24 0.00 0.71 0.00 0.00 52.55 55.88 1dq4 s ASP 203 Cb 0.11 -2.63 0.89 0.00 1.01 0.00 0.00 42.92 42.31 1dq4 s ASP 203 CO 0.82 -0.46 1.81 0.77 0.21 0.00 0.00 175.17 178.33 1dq4 h SER 204 N 3.25 0.00 -1.97 0.27 4.64 -2.00 -3.37 113.55 114.38 1dq4 h SER 204 Ca -0.48 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1dq4 h SER 204 Cb 1.22 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.93 1dq4 h SER 204 CO 0.65 0.21 -1.09 0.00 -0.87 0.00 0.00 176.83 175.73 1dq4 n HIS 205 N -3.35 -0.47 -2.23 4.77 1.44 -1.26 -5.02 115.22 109.10 1dq4 n HIS 205 Ca 0.00 -3.50 -0.32 0.00 -2.01 0.00 0.00 57.72 51.89 1dq4 n HIS 205 Cb 0.44 -0.28 -0.02 0.00 0.12 0.00 0.00 29.99 30.25 1dq4 n HIS 205 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1dq4 s PRO 206 N -1.08 3.74 -0.39 -1.40 0.04 -1.26 -5.04 135.00 129.62 1dq4 s PRO 206 Ca 0.35 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 1dq4 s PRO 206 Cb 0.17 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1dq4 s PRO 206 CO -0.12 -0.45 0.29 0.00 0.04 0.00 0.00 177.00 176.77 1dq4 s ALA 207 N -2.68 3.49 0.30 8.56 0.00 -1.26 -4.79 121.76 125.37 1dq4 s ALA 207 Ca 0.59 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1dq4 s ALA 207 Cb -0.11 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1dq4 s ALA 207 CO 0.36 -1.29 0.28 0.34 0.00 0.00 0.00 175.76 175.45 1dq4 s ASP 208 N 1.70 1.17 -0.30 0.00 2.15 -1.26 -2.27 116.67 117.86 1dq4 s ASP 208 Ca 0.06 -1.61 -0.18 0.00 0.43 0.00 0.00 52.55 51.25 1dq4 s ASP 208 Cb -0.18 0.54 0.19 0.00 -0.30 0.00 0.00 42.92 43.16 1dq4 s ASP 208 CO 0.10 -1.05 1.20 -0.83 -0.17 0.00 0.00 175.17 174.42 1dq4 s GLY 209 N -3.29 0.14 0.35 2.66 0.00 -1.07 -0.57 107.32 105.53 1dq4 s GLY 209 Ca 0.38 3.47 0.08 0.00 0.00 0.00 0.00 44.72 48.65 1dq4 s GLY 209 CO 0.23 3.38 0.16 -0.42 0.00 0.00 0.00 173.10 176.44 1dq4 s ILE 210 N 2.21 3.00 -0.28 0.90 1.01 -0.72 -1.70 121.20 125.62 1dq4 s ILE 210 Ca -0.01 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.72 1dq4 s ILE 210 Cb -0.03 -2.99 0.12 0.00 0.01 0.00 0.00 42.46 39.58 1dq4 s ILE 210 CO -0.16 -0.17 1.03 0.00 0.00 0.00 0.00 174.94 175.64 1dq4 s ALA 211 N -2.43 -1.97 -0.25 9.38 0.00 -0.72 -0.55 121.76 125.22 1dq4 s ALA 211 Ca 0.38 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 54.08 1dq4 s ALA 211 Cb -0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1dq4 s ALA 211 CO 0.23 -0.24 0.27 0.12 0.00 0.00 0.00 175.76 176.14 1dq4 s PHE 212 N 0.18 3.29 0.10 0.00 5.36 -0.80 -0.81 117.98 125.28 1dq4 s PHE 212 Ca 0.03 0.33 0.07 0.00 -0.96 0.00 0.00 56.93 56.40 1dq4 s PHE 212 Cb -0.05 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.17 1dq4 s PHE 212 CO -0.06 -0.08 -0.17 -0.59 -1.46 0.00 0.00 175.22 172.86 1dq4 s PHE 213 N 1.52 1.52 -0.12 10.12 -0.71 -0.39 -1.10 117.98 128.82 1dq4 s PHE 213 Ca 0.12 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.58 1dq4 s PHE 213 Cb -0.15 -0.83 -0.00 0.00 -1.21 0.00 0.00 43.02 40.83 1dq4 s PHE 213 CO 0.08 0.15 -0.20 0.42 -1.34 0.00 0.00 175.22 174.33 1dq4 s ILE 214 N -1.36 2.32 0.35 -4.49 1.01 0.08 -1.21 121.20 117.90 1dq4 s ILE 214 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1dq4 s ILE 214 Cb -0.09 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1dq4 s ILE 214 CO 0.03 0.54 0.45 -0.94 0.00 0.00 0.00 174.94 175.02 1dq4 s SER 215 N 0.53 1.10 0.54 3.58 1.04 -0.68 -2.29 113.70 117.51 1dq4 s SER 215 Ca -0.13 -1.55 -0.21 0.00 0.48 0.00 0.00 55.95 54.54 1dq4 s SER 215 Cb -0.17 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1dq4 s SER 215 CO 0.04 -1.27 1.24 0.54 0.98 0.00 0.00 173.24 174.77 1dq4 s ASN 216 N -3.27 5.53 0.61 7.02 4.22 -1.25 -0.91 114.94 126.89 1dq4 s ASN 216 Ca 0.32 2.47 0.26 0.00 -2.14 0.00 0.00 52.86 53.78 1dq4 s ASN 216 Cb -0.00 -2.61 1.21 0.00 1.28 0.00 0.00 41.25 41.13 1dq4 s ASN 216 CO 0.22 -1.37 1.64 0.16 -2.04 0.00 0.00 177.10 175.71 1dq4 h ILE 217 N 1.37 0.17 -0.34 0.54 3.07 -1.82 -1.22 117.51 119.28 1dq4 h ILE 217 Ca -0.50 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 65.70 1dq4 h ILE 217 Cb 1.28 0.37 -0.13 0.00 -0.27 0.00 0.00 36.82 38.07 1dq4 h ILE 217 CO 0.57 0.00 -0.27 -0.90 -1.05 0.00 0.00 178.15 176.51 1dq4 n ASP 218 N -3.37 2.80 -4.74 2.16 5.75 -1.26 -4.87 116.55 113.01 1dq4 n ASP 218 Ca 0.12 -3.83 -0.41 0.00 -0.01 0.00 0.00 54.79 50.66 1dq4 n ASP 218 Cb 0.95 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 1dq4 n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1dq4 s SER 219 N -2.87 6.86 0.09 -1.12 0.15 -0.46 -5.04 113.70 111.31 1dq4 s SER 219 Ca 0.45 2.47 0.02 0.00 0.70 0.00 0.00 55.95 59.58 1dq4 s SER 219 Cb 0.40 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1dq4 s SER 219 CO -0.02 -0.54 -0.07 -0.94 1.20 0.00 0.00 173.24 172.87 1dq4 s SER 220 N 0.19 1.09 -0.23 5.45 1.04 -1.26 -5.05 113.70 114.93 1dq4 s SER 220 Ca 0.56 -0.91 -0.34 0.00 0.48 0.00 0.00 55.95 55.74 1dq4 s SER 220 Cb -0.37 0.08 -0.11 0.00 0.10 0.00 0.00 66.02 65.72 1dq4 s SER 220 CO 0.41 -0.41 2.06 -0.38 0.98 0.00 0.00 173.24 175.90 1dq4 n ILE 221 N 0.28 0.36 -1.99 -1.02 5.41 -1.26 -4.91 119.36 116.22 1dq4 n ILE 221 Ca -0.14 -0.23 -0.37 0.00 1.00 0.00 0.00 62.75 63.00 1dq4 n ILE 221 Cb 0.59 -1.88 0.02 0.00 -0.71 0.00 0.00 39.64 37.67 1dq4 n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1dq4 s PRO 222 N 5.34 3.26 0.15 0.38 0.02 -1.26 -4.92 135.00 137.97 1dq4 s PRO 222 Ca 1.01 1.97 -0.31 0.00 0.02 0.00 0.00 61.00 63.69 1dq4 s PRO 222 Cb -0.71 -2.19 -0.10 0.00 0.02 0.00 0.00 34.50 31.51 1dq4 s PRO 222 CO 0.48 -1.01 1.62 -1.54 -0.33 0.00 0.00 177.00 176.22 1dq4 s SER 223 N -1.28 6.55 -0.80 2.53 1.04 -1.26 -2.47 113.70 118.01 1dq4 s SER 223 Ca 0.71 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.77 1dq4 s SER 223 Cb -0.34 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.20 1dq4 s SER 223 CO 0.39 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1dq4 n GLY 224 N 3.86 -0.00 1.53 7.32 0.00 -1.26 -4.69 105.19 111.94 1dq4 n GLY 224 Ca 0.15 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1dq4 n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dq4 n SER 225 N 0.22 3.43 -4.80 1.61 3.41 -1.03 -4.70 113.62 111.76 1dq4 n SER 225 Ca -0.11 -2.74 -0.30 0.00 -0.26 0.00 0.00 58.87 55.46 1dq4 n SER 225 Cb 0.58 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.96 1dq4 n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1dq4 s THR 226 N -1.79 3.23 0.00 6.66 -4.23 -1.26 0.49 115.64 118.73 1dq4 s THR 226 Ca 0.30 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1dq4 s THR 226 Cb 0.24 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1dq4 s THR 226 CO 0.07 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1dq4 n GLY 227 N -1.95 3.01 0.27 3.99 0.00 -1.26 -2.27 105.19 106.99 1dq4 n GLY 227 Ca 0.07 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.50 1dq4 n GLY 227 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dq4 h ARG 228 N 0.00 0.00 0.00 1.61 2.43 -1.95 -2.55 114.38 113.92 1dq4 h ARG 228 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dq4 h ARG 228 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1dq4 h ARG 228 CO 0.00 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1dq4 n LEU 229 N -3.75 0.00 -0.35 3.80 4.77 -0.96 -4.89 117.00 115.63 1dq4 n LEU 229 Ca -0.02 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1dq4 n LEU 229 Cb 0.19 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1dq4 n LEU 229 CO 0.29 -0.11 -0.04 0.18 -1.33 0.00 0.00 177.39 176.39 1dq4 n LEU 230 N -1.29 0.29 0.00 2.23 4.77 -0.96 -1.68 117.00 120.36 1dq4 n LEU 230 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1dq4 n LEU 230 Cb 0.15 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.19 1dq4 n LEU 230 CO 0.14 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 1dq4 n GLY 231 N 0.49 0.71 0.10 -0.72 0.00 0.18 -4.15 105.19 101.80 1dq4 n GLY 231 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1dq4 n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dq4 n LEU 232 N 0.00 2.57 -4.51 0.99 4.77 -0.68 -4.31 117.00 115.83 1dq4 n LEU 232 Ca 0.00 -0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 1dq4 n LEU 232 Cb 0.02 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.42 1dq4 n LEU 232 CO 0.00 0.79 -0.42 -0.36 -1.33 0.00 0.00 177.39 176.07 1dq4 s PHE 233 N -2.41 2.81 -0.19 -1.77 0.08 -0.94 -4.76 117.98 110.80 1dq4 s PHE 233 Ca -0.25 -0.11 0.23 0.00 0.12 0.00 0.00 56.93 56.91 1dq4 s PHE 233 Cb 0.07 -1.68 0.51 0.00 -0.57 0.00 0.00 43.02 41.35 1dq4 s PHE 233 CO 0.50 0.22 1.66 -1.00 -0.10 0.00 0.00 175.22 176.50 1dq4 h PRO 234 N 5.40 0.00 -2.01 0.24 0.13 -1.86 -3.36 132.00 130.53 1dq4 h PRO 234 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1dq4 h PRO 234 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1dq4 h PRO 234 CO 0.52 0.17 0.16 -0.51 -0.23 0.00 0.00 178.00 178.11 1dq4 s ASP 235 N -6.20 -0.69 0.00 1.44 1.01 -1.26 -4.52 116.67 106.45 1dq4 s ASP 235 Ca 0.04 0.98 0.25 0.00 0.71 0.00 0.00 52.55 54.53 1dq4 s ASP 235 Cb 0.07 0.88 0.44 0.00 1.01 0.00 0.00 42.92 45.32 1dq4 s ASP 235 CO 0.67 -0.48 1.37 0.00 0.21 0.00 0.00 175.17 176.94 1dq4 n ALA 236 N 1.57 3.61 -0.30 5.23 0.00 -1.26 -4.80 120.51 124.56 1dq4 n ALA 236 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1dq4 n ALA 236 Cb 0.56 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1dq4 n ALA 236 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79