#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqw s ASP 2 N 0.00 7.13 -0.41 0.00 1.01 -1.26 -4.98 116.67 118.16 1hqw s ASP 2 Ca 0.00 1.88 -0.25 0.00 0.71 0.00 0.00 52.55 54.88 1hqw s ASP 2 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1hqw s ASP 2 CO 0.00 -0.47 0.91 -0.89 0.21 0.00 0.00 175.17 174.93 1hqw s THR 3 N 1.43 4.55 -0.08 -1.27 2.01 -1.26 -4.98 115.64 116.04 1hqw s THR 3 Ca 0.56 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.56 1hqw s THR 3 Cb -0.26 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 1hqw s THR 3 CO 0.26 -0.66 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.71 1hqw s ILE 4 N 3.56 2.57 -0.08 1.82 -1.09 -1.26 -3.36 121.20 123.36 1hqw s ILE 4 Ca 0.37 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1hqw s ILE 4 Cb -0.11 -2.00 0.03 0.00 -1.58 0.00 0.00 42.46 38.80 1hqw s ILE 4 CO 0.22 0.56 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.79 1hqw s VAL 5 N -0.16 0.48 0.05 2.92 1.01 -0.99 -0.26 120.40 123.44 1hqw s VAL 5 Ca -0.02 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1hqw s VAL 5 Cb -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1hqw s VAL 5 CO 0.04 0.28 0.19 0.00 0.00 0.00 0.00 175.10 175.60 1hqw s ALA 6 N 1.90 -0.32 -0.30 5.51 0.00 -0.34 -1.18 121.76 127.04 1hqw s ALA 6 Ca 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1hqw s ALA 6 Cb -0.12 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1hqw s ALA 6 CO -0.06 -0.38 0.04 0.08 0.00 0.00 0.00 175.76 175.44 1hqw s VAL 7 N -2.79 3.46 -0.04 0.00 1.01 -0.51 -0.89 120.40 120.64 1hqw s VAL 7 Ca -0.03 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1hqw s VAL 7 Cb -0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1hqw s VAL 7 CO -0.05 -0.03 0.32 -1.83 0.00 0.00 0.00 175.10 173.51 1hqw s GLU 8 N 1.37 3.79 -0.80 2.72 -1.05 -0.43 -1.50 118.70 122.81 1hqw s GLU 8 Ca -0.01 0.24 -0.05 0.00 -0.15 0.00 0.00 54.97 55.00 1hqw s GLU 8 Cb -0.19 -3.22 0.20 0.00 -0.44 0.00 0.00 34.13 30.48 1hqw s GLU 8 CO 0.00 0.69 0.67 -0.51 0.95 0.00 0.00 175.26 177.07 1hqw s LEU 9 N -0.98 5.68 -0.51 1.83 1.02 0.25 -1.78 118.68 124.19 1hqw s LEU 9 Ca 0.21 -3.22 -0.24 0.00 0.02 0.00 0.00 54.13 50.90 1hqw s LEU 9 Cb -0.15 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.14 1hqw s LEU 9 CO 0.10 -0.32 0.89 -0.62 0.02 0.00 0.00 176.35 176.42 1hqw s ASP 10 N 0.64 6.38 0.37 2.29 -1.08 -0.10 -1.04 116.67 124.14 1hqw s ASP 10 Ca 0.22 -0.22 0.23 0.00 -0.52 0.00 0.00 52.55 52.26 1hqw s ASP 10 Cb -0.13 -2.42 0.27 0.00 -1.46 0.00 0.00 42.92 39.18 1hqw s ASP 10 CO -0.08 -1.11 1.48 0.71 0.52 0.00 0.00 175.17 176.69 1hqw h THR 11 N 6.02 0.00 -3.19 1.71 1.35 -1.73 -1.26 112.91 115.81 1hqw h THR 11 Ca -0.25 -0.98 -0.65 0.00 -0.55 0.00 0.00 66.41 63.98 1hqw h THR 11 Cb 1.08 1.85 -0.34 0.00 -1.73 0.00 0.00 68.15 69.01 1hqw h THR 11 CO 1.04 0.00 -0.86 -0.47 -0.25 0.00 0.00 175.52 174.98 1hqw s TYR 12 N -3.24 2.52 -0.62 4.73 5.04 -1.24 -4.55 117.35 119.98 1hqw s TYR 12 Ca 0.05 -1.30 -0.28 0.00 -2.44 0.00 0.00 57.07 53.10 1hqw s TYR 12 Cb 0.06 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.66 1hqw s TYR 12 CO 0.70 -0.62 1.27 -1.25 -1.34 0.00 0.00 175.55 174.30 1hqw s PRO 13 N 0.96 3.38 -1.02 4.97 0.04 -1.26 -4.95 135.00 137.12 1hqw s PRO 13 Ca -0.04 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.09 1hqw s PRO 13 Cb -0.15 -4.08 0.25 0.00 0.04 0.00 0.00 34.50 30.56 1hqw s PRO 13 CO -0.04 -1.86 0.97 -0.80 0.04 0.00 0.00 177.00 175.31 1hqw s ASN 14 N 3.50 6.86 0.42 6.66 -0.87 -1.26 -4.90 114.94 125.34 1hqw s ASN 14 Ca 0.43 -3.54 0.15 0.00 -1.57 0.00 0.00 52.86 48.34 1hqw s ASN 14 Cb -0.08 -2.12 1.03 0.00 -0.02 0.00 0.00 41.25 40.06 1hqw s ASN 14 CO 0.23 -0.28 1.90 0.71 -2.57 0.00 0.00 177.10 177.08 1hqw h THR 15 N 3.91 0.78 0.00 1.60 1.35 -1.84 -1.39 112.91 117.33 1hqw h THR 15 Ca 0.16 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1hqw h THR 15 Cb 0.87 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1hqw h THR 15 CO 0.94 0.08 -0.00 -2.24 -0.25 0.00 0.00 175.52 174.05 1hqw h ASP 16 N 0.45 0.00 -0.42 5.36 2.03 -1.90 -1.60 116.42 120.33 1hqw h ASP 16 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1hqw h ASP 16 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1hqw h ASP 16 CO -0.14 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.37 1hqw n ILE 17 N -3.91 2.48 -0.02 4.15 -5.35 -0.56 -4.94 119.36 111.22 1hqw n ILE 17 Ca -0.03 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 1hqw n ILE 17 Cb 0.09 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 1hqw n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hqw n GLY 18 N 0.08 0.28 3.75 3.28 0.00 -0.60 -4.63 105.19 107.34 1hqw n GLY 18 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1hqw n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqw s ASP 19 N -2.33 6.80 1.20 1.61 -0.00 -1.01 -4.94 116.67 118.00 1hqw s ASP 19 Ca 0.00 2.55 -0.19 0.00 -0.00 0.00 0.00 52.55 54.92 1hqw s ASP 19 Cb 0.00 -2.62 0.29 0.00 -0.00 0.00 0.00 42.92 40.58 1hqw s ASP 19 CO 0.00 -0.57 1.09 -2.16 -0.00 0.00 0.00 175.17 173.52 1hqw s PRO 20 N -0.64 -1.23 0.00 8.23 0.04 -1.26 -3.75 135.00 136.39 1hqw s PRO 20 Ca 0.55 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1hqw s PRO 20 Cb -0.39 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1hqw s PRO 20 CO 0.43 -3.74 1.10 0.43 0.04 0.00 0.00 177.00 175.27 1hqw n SER 21 N -4.80 3.20 -3.69 6.66 7.64 -1.26 -4.61 113.62 116.76 1hqw n SER 21 Ca 0.12 -1.96 -0.07 0.00 1.01 0.00 0.00 58.87 57.97 1hqw n SER 21 Cb 0.59 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1hqw n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1hqw s TYR 22 N 0.06 -0.25 0.61 1.43 -0.85 -1.26 -4.99 117.35 112.10 1hqw s TYR 22 Ca 0.00 -0.06 -0.19 0.00 -0.52 0.00 0.00 57.07 56.30 1hqw s TYR 22 Cb 0.00 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1hqw s TYR 22 CO 0.00 -0.92 1.21 -2.30 -1.52 0.00 0.00 175.55 172.02 1hqw n PRO 23 N -0.42 1.20 -3.68 -3.49 -0.02 -1.26 -4.59 135.00 122.74 1hqw n PRO 23 Ca -0.08 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.81 1hqw n PRO 23 Cb 0.61 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1hqw n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1hqw s HIS 24 N -1.39 -0.20 0.01 6.00 -3.43 -0.48 -1.41 115.29 114.39 1hqw s HIS 24 Ca 0.78 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 55.01 1hqw s HIS 24 Cb -0.40 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 1hqw s HIS 24 CO 0.45 -0.75 -0.05 0.96 -2.00 0.00 0.00 174.74 173.35 1hqw s ILE 25 N -3.24 3.75 0.03 -5.38 -4.36 -0.59 -0.93 121.20 110.48 1hqw s ILE 25 Ca 0.10 -0.75 -0.17 0.00 -0.26 0.00 0.00 60.65 59.56 1hqw s ILE 25 Cb -0.01 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 41.08 1hqw s ILE 25 CO -0.01 0.38 0.39 -0.83 0.24 0.00 0.00 174.94 175.11 1hqw s GLY 26 N -1.48 -0.24 -0.39 6.27 0.00 -0.73 -1.29 107.32 109.46 1hqw s GLY 26 Ca 0.18 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.09 1hqw s GLY 26 CO 0.08 0.07 0.26 -0.42 0.00 0.00 0.00 173.10 173.10 1hqw s ILE 27 N -2.19 5.01 -0.25 0.90 1.01 -0.00 -1.31 121.20 124.37 1hqw s ILE 27 Ca -0.07 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1hqw s ILE 27 Cb -0.02 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1hqw s ILE 27 CO -0.00 -0.26 0.15 -1.81 0.00 0.00 0.00 174.94 173.02 1hqw s ASP 28 N 1.64 5.92 -0.35 3.58 1.01 -0.07 -0.06 116.67 128.33 1hqw s ASP 28 Ca 0.04 0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 1hqw s ASP 28 Cb -0.19 -2.08 0.09 0.00 1.01 0.00 0.00 42.92 41.75 1hqw s ASP 28 CO 0.09 0.02 0.09 -0.63 0.21 0.00 0.00 175.17 174.94 1hqw s ILE 29 N 1.33 2.83 0.00 0.77 -1.09 -1.26 -1.20 121.20 122.59 1hqw s ILE 29 Ca 0.07 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1hqw s ILE 29 Cb -0.15 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1hqw s ILE 29 CO 0.06 -0.48 0.00 0.29 -1.23 0.00 0.00 174.94 173.58 1hqw n LYS 30 N 4.49 0.00 -3.94 2.79 5.02 0.64 -4.91 118.16 122.24 1hqw n LYS 30 Ca -0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1hqw n LYS 30 Cb 0.42 -3.36 -0.11 0.00 -0.02 0.00 0.00 35.03 31.96 1hqw n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hqw s SER 31 N -2.56 0.17 0.24 4.39 0.15 -1.26 -4.90 113.70 109.93 1hqw s SER 31 Ca 0.00 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.47 1hqw s SER 31 Cb 0.00 0.14 0.95 0.00 -1.71 0.00 0.00 66.02 65.40 1hqw s SER 31 CO 0.00 -0.34 1.71 0.55 1.20 0.00 0.00 173.24 176.36 1hqw n VAL 32 N 1.50 0.81 -2.74 4.45 3.14 -1.26 -4.23 118.33 119.99 1hqw n VAL 32 Ca -0.23 0.18 -0.43 0.00 -2.96 0.00 0.00 64.34 60.90 1hqw n VAL 32 Cb 0.55 -1.10 -0.02 0.00 -1.06 0.00 0.00 33.84 32.22 1hqw n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1hqw s ARG 33 N -3.28 3.71 0.08 1.45 0.52 -1.26 -4.96 118.95 115.21 1hqw s ARG 33 Ca 0.05 -1.64 -0.26 0.00 -0.52 0.00 0.00 55.73 53.36 1hqw s ARG 33 Cb 0.10 -5.19 -0.14 0.00 0.52 0.00 0.00 34.95 30.23 1hqw s ARG 33 CO 0.41 -2.01 0.60 0.43 0.02 0.00 0.00 175.30 174.75 1hqw n SER 34 N 7.61 -0.52 0.18 0.23 7.64 -1.26 -4.82 113.62 122.68 1hqw n SER 34 Ca 0.32 0.88 0.07 0.00 1.01 0.00 0.00 58.87 61.16 1hqw n SER 34 Cb 0.49 -0.72 0.19 0.00 -1.01 0.00 0.00 64.21 63.15 1hqw n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1hqw h LYS 35 N 1.50 0.00 -2.18 1.43 1.79 -0.80 -3.45 116.57 114.85 1hqw h LYS 35 Ca -0.30 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 1hqw h LYS 35 Cb 1.11 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.54 1hqw h LYS 35 CO 0.47 0.29 0.00 0.21 -1.08 0.00 0.00 179.45 179.34 1hqw s LYS 36 N -3.21 0.71 0.23 3.15 2.47 -1.22 -5.00 119.74 116.87 1hqw s LYS 36 Ca 0.04 0.97 0.03 0.00 -1.56 0.00 0.00 55.97 55.46 1hqw s LYS 36 Cb 0.07 0.27 -0.05 0.00 -1.46 0.00 0.00 37.83 36.66 1hqw s LYS 36 CO 0.69 -0.11 0.00 0.95 0.16 0.00 0.00 175.35 177.04 1hqw s THR 37 N 0.78 1.00 -0.13 3.43 -4.23 -1.26 -0.82 115.64 114.41 1hqw s THR 37 Ca -0.04 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.35 1hqw s THR 37 Cb -0.05 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1hqw s THR 37 CO -0.06 -0.32 0.32 0.00 -0.54 0.00 0.00 174.62 174.02 1hqw s ALA 38 N -3.44 -0.80 0.35 3.99 0.00 -0.41 -4.98 121.76 116.47 1hqw s ALA 38 Ca 0.28 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1hqw s ALA 38 Cb 0.06 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.47 1hqw s ALA 38 CO 0.09 -0.17 1.52 0.21 0.00 0.00 0.00 175.76 177.40 1hqw s LYS 39 N 0.50 4.12 -0.17 0.00 2.20 -1.26 -1.54 119.74 123.58 1hqw s LYS 39 Ca -0.03 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1hqw s LYS 39 Cb -0.04 -2.99 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 1hqw s LYS 39 CO -0.03 -0.56 -0.10 -0.46 -0.36 0.00 0.00 175.35 173.84 1hqw s TRP 40 N -0.72 2.09 -1.31 4.03 -0.00 -0.50 -4.78 118.94 117.74 1hqw s TRP 40 Ca 0.56 -1.29 -0.17 0.00 -0.00 0.00 0.00 56.10 55.20 1hqw s TRP 40 Cb -0.47 -1.51 0.08 0.00 -0.00 0.00 0.00 33.47 31.57 1hqw s TRP 40 CO 0.58 -0.67 1.78 0.09 -0.00 0.00 0.00 176.95 178.72 1hqw n ASN 41 N 4.78 4.83 -4.76 5.86 3.02 -1.26 -4.36 115.26 123.37 1hqw n ASN 41 Ca -0.14 -2.92 -0.38 0.00 -0.03 0.00 0.00 54.58 51.11 1hqw n ASN 41 Cb 0.48 -1.72 0.02 0.00 -0.61 0.00 0.00 39.78 37.96 1hqw n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hqw s MET 42 N 3.80 3.32 -0.32 3.52 -2.45 -1.26 -5.02 119.30 120.89 1hqw s MET 42 Ca 0.52 2.05 0.02 0.00 -1.25 0.00 0.00 55.69 57.03 1hqw s MET 42 Cb 0.05 -2.28 0.09 0.00 1.25 0.00 0.00 34.83 33.95 1hqw s MET 42 CO 0.05 -0.99 0.05 -0.65 1.05 0.00 0.00 175.02 174.53 1hqw s GLN 43 N -2.88 1.26 0.07 4.11 -0.21 -1.26 -5.10 119.66 115.66 1hqw s GLN 43 Ca 0.70 -1.52 -0.33 0.00 0.02 0.00 0.00 55.36 54.23 1hqw s GLN 43 Cb -0.36 -2.74 -0.12 0.00 1.00 0.00 0.00 33.01 30.79 1hqw s GLN 43 CO 0.42 -0.91 1.74 -1.71 -2.12 0.00 0.00 175.29 172.71 1hqw n ASN 44 N 4.49 3.43 0.00 5.90 2.85 -1.26 -1.90 115.26 128.76 1hqw n ASN 44 Ca -0.00 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 1hqw n ASN 44 Cb 0.42 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.01 1hqw n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hqw n GLY 45 N 3.93 0.85 3.72 8.20 0.00 -0.00 -4.99 105.19 116.90 1hqw n GLY 45 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1hqw n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqw s LYS 46 N -0.24 2.87 -0.15 1.61 -0.14 -0.80 -4.99 119.74 117.90 1hqw s LYS 46 Ca 0.00 -0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 53.74 1hqw s LYS 46 Cb 0.00 -2.73 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1hqw s LYS 46 CO 0.00 0.63 1.03 0.08 -0.76 0.00 0.00 175.35 176.33 1hqw s VAL 47 N -1.13 4.72 0.47 3.17 1.01 -1.26 -4.22 120.40 123.16 1hqw s VAL 47 Ca 0.21 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.27 1hqw s VAL 47 Cb -0.12 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1hqw s VAL 47 CO 0.12 -0.07 0.23 -0.83 0.00 0.00 0.00 175.10 174.55 1hqw s GLY 48 N 1.16 2.44 -0.03 4.51 0.00 -0.21 -4.49 107.32 110.70 1hqw s GLY 48 Ca 0.47 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1hqw s GLY 48 CO 0.13 -1.95 -0.02 -1.59 0.00 0.00 0.00 173.10 169.67 1hqw s THR 49 N -2.69 0.31 -0.07 0.90 2.01 -0.58 -1.23 115.64 114.29 1hqw s THR 49 Ca 0.34 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1hqw s THR 49 Cb 0.01 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1hqw s THR 49 CO 0.19 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 174.08 1hqw s ALA 50 N 0.84 2.36 -0.17 7.40 0.00 -0.50 -1.54 121.76 130.16 1hqw s ALA 50 Ca -0.09 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1hqw s ALA 50 Cb -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1hqw s ALA 50 CO -0.01 0.43 -0.20 -1.01 0.00 0.00 0.00 175.76 174.97 1hqw s HIS 51 N -0.23 2.77 -0.11 0.00 3.76 0.71 -2.20 115.29 120.00 1hqw s HIS 51 Ca -0.01 -1.60 0.01 0.00 -0.15 0.00 0.00 55.06 53.32 1hqw s HIS 51 Cb -0.13 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 1hqw s HIS 51 CO 0.03 -0.78 -0.15 0.42 -0.85 0.00 0.00 174.74 173.41 1hqw s ILE 52 N 1.22 2.91 0.05 0.60 1.09 0.07 -0.21 121.20 126.94 1hqw s ILE 52 Ca 0.03 -0.73 0.01 0.00 -1.10 0.00 0.00 60.65 58.86 1hqw s ILE 52 Cb -0.13 -2.19 -0.03 0.00 -1.06 0.00 0.00 42.46 39.05 1hqw s ILE 52 CO -0.11 0.54 -0.06 0.27 -0.10 0.00 0.00 174.94 175.48 1hqw s ILE 53 N 0.09 0.42 -0.28 2.92 -4.36 -0.17 -1.46 121.20 118.36 1hqw s ILE 53 Ca -0.07 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 1hqw s ILE 53 Cb -0.15 -0.83 0.12 0.00 1.25 0.00 0.00 42.46 42.85 1hqw s ILE 53 CO 0.05 -0.58 1.00 -0.47 0.24 0.00 0.00 174.94 175.18 1hqw s TYR 54 N -2.13 -0.51 0.02 1.37 5.04 -1.12 -1.71 117.35 118.32 1hqw s TYR 54 Ca -0.05 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1hqw s TYR 54 Cb -0.05 0.36 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 1hqw s TYR 54 CO -0.02 -0.24 -0.04 0.54 -1.34 0.00 0.00 175.55 174.45 1hqw s ASN 55 N 0.30 0.33 0.40 4.32 2.20 -1.26 -1.62 114.94 119.61 1hqw s ASN 55 Ca 0.02 -0.44 0.29 0.00 -0.94 0.00 0.00 52.86 51.79 1hqw s ASN 55 Cb -0.05 0.07 1.23 0.00 -2.00 0.00 0.00 41.25 40.51 1hqw s ASN 55 CO -0.06 -0.24 1.85 0.77 -2.94 0.00 0.00 177.10 176.48 1hqw h SER 56 N 4.83 0.00 0.03 3.54 4.64 -0.42 -1.10 113.55 125.07 1hqw h SER 56 Ca -0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1hqw h SER 56 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hqw h SER 56 CO 0.42 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.95 1hqw h VAL 57 N 0.00 0.80 0.00 0.95 2.07 -1.90 -3.37 116.25 114.80 1hqw h VAL 57 Ca 0.00 -1.53 -0.16 0.00 0.82 0.00 0.00 66.70 65.84 1hqw h VAL 57 Cb 0.37 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1hqw h VAL 57 CO 0.00 0.26 -0.75 0.44 0.02 0.00 0.00 177.57 177.54 1hqw h ASP 58 N -0.99 0.00 -5.81 0.57 3.32 -1.97 -3.48 116.42 108.07 1hqw h ASP 58 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1hqw h ASP 58 Cb 0.46 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.14 1hqw h ASP 58 CO 0.01 0.75 -0.84 0.29 -1.72 0.00 0.00 179.24 177.73 1hqw n LYS 59 N -3.60 -3.93 -3.70 3.56 5.02 -0.42 -4.93 118.16 110.17 1hqw n LYS 59 Ca -0.01 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.83 1hqw n LYS 59 Cb 0.74 -5.38 -0.17 0.00 -0.02 0.00 0.00 35.03 30.20 1hqw n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1hqw s ARG 60 N -5.34 -0.04 -0.29 1.97 3.52 -1.26 -1.53 118.95 115.98 1hqw s ARG 60 Ca 0.22 0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 56.00 1hqw s ARG 60 Cb -0.04 -0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 32.94 1hqw s ARG 60 CO 0.78 -0.28 0.53 -1.17 -0.81 0.00 0.00 175.30 174.35 1hqw s LEU 61 N 1.87 4.13 0.17 -0.88 2.96 0.15 -4.33 118.68 122.75 1hqw s LEU 61 Ca 0.00 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.38 1hqw s LEU 61 Cb -0.12 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1hqw s LEU 61 CO -0.04 -0.35 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.02 1hqw s SER 62 N 1.61 2.70 -0.01 3.68 0.01 -0.69 -1.13 113.70 119.87 1hqw s SER 62 Ca 0.21 -0.89 -0.04 0.00 1.31 0.00 0.00 55.95 56.54 1hqw s SER 62 Cb -0.15 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1hqw s SER 62 CO 0.10 -0.05 0.09 0.00 0.41 0.00 0.00 173.24 173.80 1hqw s ALA 63 N -2.19 -0.21 -0.10 1.44 0.00 -0.56 -1.00 121.76 119.14 1hqw s ALA 63 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1hqw s ALA 63 Cb -0.05 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1hqw s ALA 63 CO 0.07 -0.14 0.03 0.08 0.00 0.00 0.00 175.76 175.80 1hqw s VAL 64 N -0.84 0.27 -0.17 0.00 1.01 0.71 -2.32 120.40 119.06 1hqw s VAL 64 Ca -0.09 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1hqw s VAL 64 Cb -0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1hqw s VAL 64 CO 0.00 0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.41 1hqw s VAL 65 N 2.00 3.09 0.19 2.92 1.01 -0.27 -0.20 120.40 129.14 1hqw s VAL 65 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1hqw s VAL 65 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1hqw s VAL 65 CO -0.06 0.49 0.11 -0.94 0.00 0.00 0.00 175.10 174.70 1hqw s SER 66 N 0.89 0.29 0.08 3.32 1.04 -0.59 -0.78 113.70 117.94 1hqw s SER 66 Ca -0.03 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.08 1hqw s SER 66 Cb -0.15 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1hqw s SER 66 CO 0.00 -0.81 -0.09 -0.31 0.98 0.00 0.00 173.24 173.01 1hqw s TYR 67 N -4.10 0.92 0.30 5.02 2.02 -1.26 -1.53 117.35 118.73 1hqw s TYR 67 Ca 0.36 -0.64 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 1hqw s TYR 67 Cb 0.07 -0.52 -0.11 0.00 -0.40 0.00 0.00 41.96 41.00 1hqw s TYR 67 CO 0.10 -0.05 1.51 -2.14 -1.57 0.00 0.00 175.55 173.41 1hqw s PRO 68 N -2.53 4.17 -0.21 -1.71 0.02 -1.26 -2.54 135.00 130.94 1hqw s PRO 68 Ca 0.01 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1hqw s PRO 68 Cb -0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1hqw s PRO 68 CO -0.01 -0.53 0.00 0.09 -0.33 0.00 0.00 177.00 176.22 1hqw n ASN 69 N 1.75 -4.13 -4.34 2.53 4.13 -1.26 -5.00 115.26 108.94 1hqw n ASN 69 Ca 0.06 0.05 -0.18 0.00 1.68 0.00 0.00 54.58 56.19 1hqw n ASN 69 Cb 0.39 -1.80 -0.10 0.00 -1.54 0.00 0.00 39.78 36.72 1hqw n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hqw s ALA 70 N -1.78 1.88 0.55 5.41 0.00 -1.05 -5.14 121.76 121.63 1hqw s ALA 70 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.06 1hqw s ALA 70 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 1hqw s ALA 70 CO 0.00 -0.16 1.01 -0.51 0.00 0.00 0.00 175.76 176.10 1hqw s ASP 71 N -3.31 6.29 0.48 0.00 1.01 -1.26 -4.60 116.67 115.28 1hqw s ASP 71 Ca 0.26 1.65 -0.03 0.00 0.71 0.00 0.00 52.55 55.15 1hqw s ASP 71 Cb 0.04 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1hqw s ASP 71 CO 0.08 -0.82 0.75 -0.44 0.21 0.00 0.00 175.17 174.95 1hqw s SER 72 N -3.01 5.98 -0.09 0.27 0.01 -1.26 -4.64 113.70 110.96 1hqw s SER 72 Ca 0.60 0.64 0.03 0.00 1.31 0.00 0.00 55.95 58.53 1hqw s SER 72 Cb -0.12 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1hqw s SER 72 CO 0.34 -0.69 -0.18 0.00 0.41 0.00 0.00 173.24 173.12 1hqw s ALA 73 N -2.70 2.47 -0.01 1.44 0.00 0.04 -4.97 121.76 118.02 1hqw s ALA 73 Ca 0.48 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1hqw s ALA 73 Cb -0.10 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 1hqw s ALA 73 CO 0.42 0.38 -0.08 0.99 0.00 0.00 0.00 175.76 177.47 1hqw s THR 74 N -0.09 0.66 -0.02 0.00 2.01 -1.26 -1.11 115.64 115.82 1hqw s THR 74 Ca -0.04 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1hqw s THR 74 Cb -0.14 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.82 1hqw s THR 74 CO 0.04 0.19 0.06 0.54 -0.69 0.00 0.00 174.62 174.76 1hqw s VAL 75 N -0.12 -0.01 0.06 3.82 0.11 -0.98 -4.80 120.40 118.48 1hqw s VAL 75 Ca 0.02 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1hqw s VAL 75 Cb -0.04 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1hqw s VAL 75 CO -0.00 0.01 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.25 1hqw s SER 76 N 0.14 1.06 -0.16 3.54 0.01 -1.26 -1.50 113.70 115.52 1hqw s SER 76 Ca -0.01 -0.63 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 1hqw s SER 76 Cb -0.02 0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.30 1hqw s SER 76 CO -0.00 -0.22 0.38 -0.47 0.41 0.00 0.00 173.24 173.34 1hqw s TYR 77 N -1.70 -0.55 -0.27 2.43 5.04 -0.28 -4.95 117.35 117.06 1hqw s TYR 77 Ca -0.05 1.20 -0.28 0.00 -2.44 0.00 0.00 57.07 55.49 1hqw s TYR 77 Cb -0.08 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.47 1hqw s TYR 77 CO 0.00 -0.32 1.03 -0.51 -1.34 0.00 0.00 175.55 174.41 1hqw s ASP 78 N 1.35 6.99 -0.21 4.32 1.01 -1.26 -0.67 116.67 128.19 1hqw s ASP 78 Ca -0.09 1.18 -0.11 0.00 0.71 0.00 0.00 52.55 54.24 1hqw s ASP 78 Cb -0.09 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1hqw s ASP 78 CO -0.12 -0.75 0.50 0.54 0.21 0.00 0.00 175.17 175.55 1hqw s VAL 79 N 3.36 -0.19 -0.92 -1.27 0.11 -0.58 -4.97 120.40 115.93 1hqw s VAL 79 Ca 0.43 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.35 1hqw s VAL 79 Cb -0.14 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 34.07 1hqw s VAL 79 CO 0.10 0.03 1.21 -0.62 -3.33 0.00 0.00 175.10 172.50 1hqw s ASP 80 N 1.77 6.53 0.55 3.54 -1.08 -1.26 -4.29 116.67 122.43 1hqw s ASP 80 Ca -0.08 -1.72 0.34 0.00 -0.52 0.00 0.00 52.55 50.57 1hqw s ASP 80 Cb -0.08 -2.46 1.51 0.00 -1.46 0.00 0.00 42.92 40.43 1hqw s ASP 80 CO -0.15 -1.25 1.84 -0.07 0.52 0.00 0.00 175.17 176.05 1hqw h LEU 81 N 11.28 0.00 -1.62 -1.34 3.38 -1.97 0.14 115.31 125.18 1hqw h LEU 81 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1hqw h LEU 81 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1hqw h LEU 81 CO 1.21 0.00 0.33 0.44 0.09 0.00 0.00 178.44 180.51 1hqw h ASP 82 N 0.00 0.42 0.56 -0.43 3.32 -1.89 0.13 116.42 118.53 1hqw h ASP 82 Ca 0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1hqw h ASP 82 Cb 1.98 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1hqw h ASP 82 CO -0.01 0.28 0.00 0.59 -1.72 0.00 0.00 179.24 178.39 1hqw n ASN 83 N -4.48 0.00 -0.02 6.45 3.02 0.49 -4.17 115.26 116.55 1hqw n ASN 83 Ca 0.06 -0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.44 1hqw n ASN 83 Cb 0.20 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1hqw n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1hqw n VAL 84 N -1.29 0.22 -3.97 2.41 0.31 -0.04 -5.07 118.33 110.91 1hqw n VAL 84 Ca 0.14 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 64.10 1hqw n VAL 84 Cb 0.24 -0.92 -0.05 0.00 -0.91 0.00 0.00 33.84 32.20 1hqw n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1hqw s LEU 85 N -5.53 4.16 1.19 7.52 1.43 0.26 -4.98 118.68 122.73 1hqw s LEU 85 Ca -0.05 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1hqw s LEU 85 Cb 0.02 -2.78 0.28 0.00 0.03 0.00 0.00 46.19 43.73 1hqw s LEU 85 CO 0.08 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.72 1hqw s PRO 86 N -2.60 -1.08 0.16 1.29 0.04 -1.26 -4.73 135.00 126.81 1hqw s PRO 86 Ca 0.33 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.45 1hqw s PRO 86 Cb -0.12 -1.59 0.04 0.00 0.04 0.00 0.00 34.50 32.87 1hqw s PRO 86 CO 0.26 -3.67 1.64 1.49 0.04 0.00 0.00 177.00 176.76 1hqw h GLU 87 N -2.56 0.90 -5.28 4.56 4.81 -1.95 -3.42 114.58 111.64 1hqw h GLU 87 Ca -0.49 -0.24 -0.65 0.00 -0.13 0.00 0.00 59.36 57.85 1hqw h GLU 87 Cb 1.32 -0.10 -0.24 0.00 0.63 0.00 0.00 28.75 30.35 1hqw h GLU 87 CO 0.41 0.88 -0.71 -1.58 -0.73 0.00 0.00 179.01 177.28 1hqw s TRP 88 N -5.18 2.94 0.21 0.92 0.52 -1.26 -1.74 118.94 115.35 1hqw s TRP 88 Ca -0.12 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 55.55 1hqw s TRP 88 Cb 0.12 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1hqw s TRP 88 CO 0.82 -0.14 0.10 1.33 0.02 0.00 0.00 176.95 179.07 1hqw n VAL 89 N 3.65 0.00 -3.93 4.03 0.24 -0.41 -4.17 118.33 117.74 1hqw n VAL 89 Ca -0.18 -1.28 -0.13 0.00 -2.04 0.00 0.00 64.34 60.72 1hqw n VAL 89 Cb 0.52 0.51 -0.14 0.00 -1.47 0.00 0.00 33.84 33.26 1hqw n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1hqw s ARG 90 N -2.80 0.10 0.14 7.34 0.52 -0.30 -0.50 118.95 123.45 1hqw s ARG 90 Ca 0.14 -0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 1hqw s ARG 90 Cb 0.01 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 1hqw s ARG 90 CO 0.10 0.02 0.07 0.14 0.02 0.00 0.00 175.30 175.65 1hqw s VAL 91 N -0.12 4.23 0.02 3.52 -7.23 -1.26 -1.27 120.40 118.29 1hqw s VAL 91 Ca -0.01 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1hqw s VAL 91 Cb -0.01 -3.11 0.01 0.00 0.56 0.00 0.00 36.38 33.83 1hqw s VAL 91 CO -0.00 -0.04 0.18 0.61 -0.31 0.00 0.00 175.10 175.54 1hqw n GLY 92 N -0.02 1.05 3.16 2.32 0.00 -0.39 -1.66 105.19 109.64 1hqw n GLY 92 Ca -0.09 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 1hqw n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqw s LEU 93 N 0.00 2.12 0.06 0.99 1.43 -0.10 -0.69 118.68 122.50 1hqw s LEU 93 Ca 0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1hqw s LEU 93 Cb -0.00 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 1hqw s LEU 93 CO 0.01 0.11 -0.07 -0.55 0.23 0.00 0.00 176.35 176.07 1hqw s SER 94 N -0.88 0.93 -0.03 2.29 0.15 0.10 -0.88 113.70 115.38 1hqw s SER 94 Ca 0.04 -0.74 -0.29 0.00 0.70 0.00 0.00 55.95 55.66 1hqw s SER 94 Cb -0.07 0.07 0.09 0.00 -1.71 0.00 0.00 66.02 64.39 1hqw s SER 94 CO 0.01 -0.32 0.75 0.00 1.20 0.00 0.00 173.24 174.88 1hqw s ALA 95 N -2.31 -1.78 0.23 5.45 0.00 -0.90 -0.22 121.76 122.23 1hqw s ALA 95 Ca -0.01 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1hqw s ALA 95 Cb -0.04 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1hqw s ALA 95 CO -0.02 -0.46 0.49 -1.54 0.00 0.00 0.00 175.76 174.23 1hqw s SER 96 N -1.58 -0.13 0.01 0.00 1.04 -1.17 -2.23 113.70 109.64 1hqw s SER 96 Ca -0.05 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1hqw s SER 96 Cb -0.00 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1hqw s SER 96 CO 0.02 -1.11 -0.02 0.42 0.98 0.00 0.00 173.24 173.53 1hqw s THR 97 N -3.96 0.12 0.00 2.02 -4.23 -0.37 -0.57 115.64 108.64 1hqw s THR 97 Ca 0.17 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1hqw s THR 97 Cb -0.01 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1hqw s THR 97 CO 0.05 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1hqw n GLY 98 N 2.34 1.54 0.16 3.99 0.00 -1.26 -1.65 105.19 110.31 1hqw n GLY 98 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1hqw n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hqw h LEU 99 N 0.00 0.11-10.04 0.99 3.38 -1.97 -2.31 115.31 105.47 1hqw h LEU 99 Ca 0.00 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 1hqw h LEU 99 Cb 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1hqw h LEU 99 CO 0.00 0.65 -0.47 -0.31 0.09 0.00 0.00 178.44 178.39 1hqw s TYR 100 N -3.79 3.44 0.38 1.13 2.02 -1.26 -4.95 117.35 114.32 1hqw s TYR 100 Ca -0.03 0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1hqw s TYR 100 Cb 0.13 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1hqw s TYR 100 CO 0.77 0.50 0.14 -1.59 -1.57 0.00 0.00 175.55 173.81 1hqw s LYS 101 N -3.36 1.85 -0.26 -0.62 0.00 -1.25 -4.41 119.74 111.69 1hqw s LYS 101 Ca 0.34 -2.11 -0.36 0.00 0.00 0.00 0.00 55.97 53.84 1hqw s LYS 101 Cb -0.11 -0.46 0.16 0.00 0.00 0.00 0.00 37.83 37.42 1hqw s LYS 101 CO 0.28 -0.48 1.32 -1.83 0.00 0.00 0.00 175.35 174.64 1hqw s GLU 102 N -3.71 0.13 0.39 1.78 -1.05 -1.16 -2.96 118.70 112.11 1hqw s GLU 102 Ca 0.28 -0.04 -0.18 0.00 -0.15 0.00 0.00 54.97 54.88 1hqw s GLU 102 Cb 0.03 0.06 -0.10 0.00 -0.44 0.00 0.00 34.13 33.68 1hqw s GLU 102 CO 0.16 -0.05 0.86 0.95 0.95 0.00 0.00 175.26 178.13 1hqw s THR 103 N -2.04 4.52 -0.49 1.83 -4.23 0.74 -4.74 115.64 111.24 1hqw s THR 103 Ca 0.11 1.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.93 1hqw s THR 103 Cb -0.01 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.48 1hqw s THR 103 CO -0.04 -0.28 0.63 0.59 -0.54 0.00 0.00 174.62 174.99 1hqw n ASN 104 N -0.56 1.69 -4.76 3.99 5.03 -1.26 -3.64 115.26 115.75 1hqw n ASN 104 Ca 0.05 -3.02 -0.38 0.00 0.87 0.00 0.00 54.58 52.10 1hqw n ASN 104 Cb 0.54 -0.65 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 1hqw n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1hqw s THR 105 N -1.87 5.00 -0.19 3.41 2.01 -1.18 -1.61 115.64 121.21 1hqw s THR 105 Ca 0.38 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.46 1hqw s THR 105 Cb 0.18 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1hqw s THR 105 CO -0.07 0.42 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.57 1hqw s ILE 106 N -0.13 3.17 -0.03 1.82 -1.09 0.51 -1.18 121.20 124.26 1hqw s ILE 106 Ca 0.29 -0.58 0.22 0.00 -2.23 0.00 0.00 60.65 58.34 1hqw s ILE 106 Cb -0.17 -2.40 -0.33 0.00 -1.58 0.00 0.00 42.46 37.97 1hqw s ILE 106 CO 0.15 0.46 0.47 0.18 -1.23 0.00 0.00 174.94 174.97 1hqw n LEU 107 N 4.40 0.00 -3.56 2.97 4.32 -0.74 -1.03 117.00 123.36 1hqw n LEU 107 Ca -0.18 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.67 1hqw n LEU 107 Cb 0.51 0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1hqw n LEU 107 CO 0.29 0.01 0.61 -0.94 -1.22 0.00 0.00 177.39 176.14 1hqw s SER 108 N -4.50 -0.52 -0.17 -1.43 1.04 -1.24 -4.20 113.70 102.68 1hqw s SER 108 Ca -0.08 0.64 -0.10 0.00 0.48 0.00 0.00 55.95 56.89 1hqw s SER 108 Cb 0.14 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1hqw s SER 108 CO 0.90 -0.43 0.43 0.86 0.98 0.00 0.00 173.24 175.97 1hqw s TRP 109 N -0.94 -0.61 0.01 5.02 -0.00 0.36 -1.99 118.94 120.79 1hqw s TRP 109 Ca -0.05 1.31 -0.01 0.00 -0.00 0.00 0.00 56.10 57.35 1hqw s TRP 109 Cb -0.01 0.27 -0.01 0.00 -0.00 0.00 0.00 33.47 33.72 1hqw s TRP 109 CO 0.05 -0.34 0.01 -1.54 -0.00 0.00 0.00 176.95 175.13 1hqw s SER 110 N 1.25 0.13 0.02 5.86 1.04 -0.22 0.44 113.70 122.22 1hqw s SER 110 Ca -0.08 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.00 1hqw s SER 110 Cb -0.07 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1hqw s SER 110 CO -0.11 -0.23 0.09 0.12 0.98 0.00 0.00 173.24 174.09 1hqw s PHE 111 N -1.02 0.15 -0.20 5.02 5.36 -0.53 -1.21 117.98 125.54 1hqw s PHE 111 Ca -0.11 -0.36 -0.06 0.00 -0.96 0.00 0.00 56.93 55.44 1hqw s PHE 111 Cb -0.07 -0.11 0.10 0.00 -0.34 0.00 0.00 43.02 42.59 1hqw s PHE 111 CO -0.00 -0.31 0.40 0.99 -1.46 0.00 0.00 175.22 174.83 1hqw s THR 112 N -1.94 -0.62 -0.08 0.12 2.01 0.21 -1.62 115.64 113.71 1hqw s THR 112 Ca -0.11 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1hqw s THR 112 Cb -0.05 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1hqw s THR 112 CO -0.02 0.04 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.85 1hqw s SER 113 N 2.58 3.80 -0.01 3.53 1.04 -0.17 -0.19 113.70 124.28 1hqw s SER 113 Ca 0.01 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1hqw s SER 113 Cb -0.13 -1.14 -0.01 0.00 0.10 0.00 0.00 66.02 64.84 1hqw s SER 113 CO -0.13 0.25 -0.13 -0.54 0.98 0.00 0.00 173.24 173.68 1hqw s LYS 114 N -0.19 1.05 -0.18 4.02 1.02 0.56 -1.21 119.74 124.83 1hqw s LYS 114 Ca -0.01 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 1hqw s LYS 114 Cb -0.13 -1.02 0.05 0.00 -0.52 0.00 0.00 37.83 36.21 1hqw s LYS 114 CO 0.03 0.28 0.00 -0.51 -0.92 0.00 0.00 175.35 174.23 1hqw s LEU 115 N -0.29 1.34 -0.21 3.17 1.43 0.48 -1.34 118.68 123.26 1hqw s LEU 115 Ca 0.05 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1hqw s LEU 115 Cb -0.05 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1hqw s LEU 115 CO -0.00 -0.26 0.09 -0.54 0.23 0.00 0.00 176.35 175.87 1hqw s LYS 116 N 1.78 3.94 0.67 1.70 1.02 0.59 -0.53 119.74 128.92 1hqw s LYS 116 Ca -0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.58 1hqw s LYS 116 Cb -0.16 -3.33 0.05 0.00 -0.52 0.00 0.00 37.83 33.87 1hqw s LYS 116 CO -0.07 0.13 0.97 -1.12 -0.92 0.00 0.00 175.35 174.34 1hqw s SER 117 N 0.79 4.95 0.00 2.83 0.01 -0.79 0.01 113.70 121.50 1hqw s SER 117 Ca 0.05 0.42 0.31 0.00 1.31 0.00 0.00 55.95 58.04 1hqw s SER 117 Cb -0.13 -1.13 1.74 0.00 0.21 0.00 0.00 66.02 66.70 1hqw s SER 117 CO 0.02 -1.49 2.14 -0.46 0.41 0.00 0.00 173.24 173.86 1hqw n ASN 118 N -2.81 0.17 -4.85 2.44 6.94 -0.99 -4.61 115.26 111.54 1hqw n ASN 118 Ca 0.08 -0.91 -0.32 0.00 -0.02 0.00 0.00 54.58 53.41 1hqw n ASN 118 Cb 0.60 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 1hqw n ASN 118 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1hqw s SER 119 N -2.10 6.60 -0.23 0.53 0.01 -1.26 -4.99 113.70 112.26 1hqw s SER 119 Ca 0.43 1.42 -0.29 0.00 1.31 0.00 0.00 55.95 58.83 1hqw s SER 119 Cb 0.22 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1hqw s SER 119 CO 0.38 -0.52 1.76 -0.89 0.41 0.00 0.00 173.24 174.39 1hqw s THR 120 N -2.52 3.50 -0.88 1.44 2.01 -1.26 -2.84 115.64 115.09 1hqw s THR 120 Ca 0.56 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1hqw s THR 120 Cb -0.10 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1hqw s THR 120 CO 0.31 -0.28 0.00 1.41 -0.69 0.00 0.00 174.62 175.37 1hqw n HIS 121 N 9.28 -0.09 -3.53 4.92 8.25 -1.26 -5.01 115.22 127.78 1hqw n HIS 121 Ca 0.21 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.29 1hqw n HIS 121 Cb 0.45 -1.85 -0.10 0.00 1.12 0.00 0.00 29.99 29.61 1hqw n HIS 121 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1hqw s GLU 122 N -3.12 3.91 -0.15 -0.41 8.01 -1.13 -5.05 118.70 120.76 1hqw s GLU 122 Ca 0.00 -0.27 -0.07 0.00 0.01 0.00 0.00 54.97 54.65 1hqw s GLU 122 Cb 0.00 -3.68 0.06 0.00 -4.31 0.00 0.00 34.13 26.20 1hqw s GLU 122 CO 0.00 -0.24 0.33 0.99 0.01 0.00 0.00 175.26 176.35 1hqw s THR 123 N 1.84 -0.24 -0.15 3.63 2.01 -1.26 -1.89 115.64 119.59 1hqw s THR 123 Ca 0.09 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 1hqw s THR 123 Cb -0.16 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1hqw s THR 123 CO 0.11 0.07 0.04 0.20 -0.69 0.00 0.00 174.62 174.34 1hqw s ASN 124 N 1.83 5.46 0.02 3.53 -0.87 0.31 -4.96 114.94 120.27 1hqw s ASN 124 Ca -0.05 0.10 -0.10 0.00 -1.57 0.00 0.00 52.86 51.23 1hqw s ASN 124 Cb -0.10 -1.82 0.01 0.00 -0.02 0.00 0.00 41.25 39.32 1hqw s ASN 124 CO -0.11 0.25 0.22 0.00 -2.57 0.00 0.00 177.10 174.89 1hqw s ALA 125 N -0.10 -0.46 0.00 0.60 0.00 -1.26 -0.39 121.76 120.16 1hqw s ALA 125 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1hqw s ALA 125 Cb -0.12 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1hqw s ALA 125 CO 0.01 -0.32 -0.06 -1.17 0.00 0.00 0.00 175.76 174.23 1hqw s LEU 126 N -1.82 2.04 -0.24 0.00 2.96 -0.35 -4.99 118.68 116.28 1hqw s LEU 126 Ca -0.08 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1hqw s LEU 126 Cb -0.03 -0.27 0.11 0.00 0.50 0.00 0.00 46.19 46.49 1hqw s LEU 126 CO -0.01 0.04 0.51 -2.28 -1.32 0.00 0.00 176.35 173.28 1hqw s HIS 127 N -0.27 -1.01 0.12 5.38 5.65 -1.26 -1.00 115.29 122.91 1hqw s HIS 127 Ca 0.01 1.83 0.10 0.00 0.25 0.00 0.00 55.06 57.25 1hqw s HIS 127 Cb -0.03 0.50 -0.04 0.00 -1.18 0.00 0.00 32.58 31.83 1hqw s HIS 127 CO -0.00 -0.55 -0.25 -0.59 -0.65 0.00 0.00 174.74 172.70 1hqw s PHE 128 N 2.71 2.11 -0.10 3.88 -0.12 -0.64 -4.99 117.98 120.84 1hqw s PHE 128 Ca -0.03 -0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 56.41 1hqw s PHE 128 Cb -0.12 -1.15 0.05 0.00 -0.63 0.00 0.00 43.02 41.18 1hqw s PHE 128 CO -0.15 0.29 0.20 1.41 -0.05 0.00 0.00 175.22 176.92 1hqw s MET 129 N -2.01 0.10 -0.24 1.99 1.75 -1.26 -1.46 119.30 118.17 1hqw s MET 129 Ca 0.11 0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1hqw s MET 129 Cb -0.10 -0.17 0.03 0.00 2.84 0.00 0.00 34.83 37.43 1hqw s MET 129 CO 0.05 -0.26 -0.10 -0.06 -0.65 0.00 0.00 175.02 174.01 1hqw s PHE 130 N 1.99 3.04 -1.04 4.11 0.08 0.17 -4.93 117.98 121.41 1hqw s PHE 130 Ca -0.01 -1.70 0.10 0.00 0.12 0.00 0.00 56.93 55.44 1hqw s PHE 130 Cb -0.12 -2.01 0.20 0.00 -0.57 0.00 0.00 43.02 40.52 1hqw s PHE 130 CO -0.07 -0.77 1.06 0.09 -0.10 0.00 0.00 175.22 175.43 1hqw n ASN 131 N 4.62 2.42 -3.63 1.36 3.02 -1.26 -0.49 115.26 121.30 1hqw n ASN 131 Ca -0.17 -1.75 -0.07 0.00 -0.03 0.00 0.00 54.58 52.56 1hqw n ASN 131 Cb 0.47 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1hqw n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1hqw s GLN 132 N -0.94 0.33 0.08 3.52 0.74 -1.26 -4.79 119.66 117.34 1hqw s GLN 132 Ca 0.17 0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.91 1hqw s GLN 132 Cb 0.10 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1hqw s GLN 132 CO 0.14 -0.07 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.61 1hqw s PHE 133 N -0.33 2.66 0.30 1.67 0.08 -0.11 -5.02 117.98 117.23 1hqw s PHE 133 Ca 0.04 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 56.98 1hqw s PHE 133 Cb -0.03 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1hqw s PHE 133 CO -0.07 0.37 0.17 -1.12 -0.10 0.00 0.00 175.22 174.47 1hqw s SER 134 N -1.93 5.05 0.25 1.36 0.01 -1.26 -4.04 113.70 113.14 1hqw s SER 134 Ca 0.18 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 1hqw s SER 134 Cb -0.11 -1.00 0.30 0.00 0.21 0.00 0.00 66.02 65.42 1hqw s SER 134 CO 0.10 -0.18 1.91 0.50 0.41 0.00 0.00 173.24 175.98 1hqw h LYS 135 N 1.51 1.24 -3.29 12.44 3.64 -1.86 -3.21 116.57 127.04 1hqw h LYS 135 Ca -0.45 -0.07 -0.70 0.00 -1.27 0.00 0.00 60.65 58.15 1hqw h LYS 135 Cb 1.25 -0.28 -0.36 0.00 -0.41 0.00 0.00 32.23 32.43 1hqw h LYS 135 CO 0.61 0.82 -0.13 0.34 -2.27 0.00 0.00 179.45 178.82 1hqw s ASP 136 N -6.03 5.92 -1.03 4.20 2.15 -1.26 -4.74 116.67 115.87 1hqw s ASP 136 Ca -0.13 -3.76 -0.16 0.00 0.43 0.00 0.00 52.55 48.93 1hqw s ASP 136 Cb 0.18 -1.88 0.16 0.00 -0.30 0.00 0.00 42.92 41.08 1hqw s ASP 136 CO 0.81 -0.17 1.20 -1.58 -0.17 0.00 0.00 175.17 175.27 1hqw s GLN 137 N -1.40 3.82 0.61 4.34 2.00 -1.21 -4.88 119.66 122.94 1hqw s GLN 137 Ca 0.27 -2.23 0.34 0.00 -2.00 0.00 0.00 55.36 51.75 1hqw s GLN 137 Cb -0.07 -4.90 1.99 0.00 0.80 0.00 0.00 33.01 30.83 1hqw s GLN 137 CO -0.13 -1.69 2.28 0.87 -0.50 0.00 0.00 175.29 176.12 1hqw h LYS 138 N 7.98 0.00 -0.49 1.67 1.57 -1.93 -2.62 116.57 122.75 1hqw h LYS 138 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1hqw h LYS 138 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1hqw h LYS 138 CO 1.11 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.60 1hqw n ASP 139 N -3.57 2.30 -4.26 0.86 5.75 -1.26 -4.85 116.55 111.51 1hqw n ASP 139 Ca -0.03 -2.13 -0.25 0.00 -0.01 0.00 0.00 54.79 52.37 1hqw n ASP 139 Cb 0.09 -0.34 -0.14 0.00 -1.03 0.00 0.00 41.12 39.71 1hqw n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1hqw s LEU 140 N -1.09 2.19 -0.30 -2.12 1.43 -0.99 -0.60 118.68 117.20 1hqw s LEU 140 Ca 0.24 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1hqw s LEU 140 Cb 0.15 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.42 1hqw s LEU 140 CO 0.14 0.14 0.08 -0.63 0.23 0.00 0.00 176.35 176.31 1hqw s ILE 141 N -0.87 3.91 -0.19 -0.59 1.01 0.78 -4.86 121.20 120.39 1hqw s ILE 141 Ca 0.07 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 1hqw s ILE 141 Cb -0.09 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1hqw s ILE 141 CO 0.02 0.03 0.15 -0.76 0.00 0.00 0.00 174.94 174.38 1hqw s LEU 142 N 1.48 4.23 0.02 2.97 1.43 -1.26 -0.80 118.68 126.74 1hqw s LEU 142 Ca 0.02 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1hqw s LEU 142 Cb -0.18 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1hqw s LEU 142 CO 0.02 0.18 -0.22 -1.10 0.23 0.00 0.00 176.35 175.47 1hqw s GLN 143 N 0.29 1.58 5.64 1.70 -0.21 -0.02 -4.99 119.66 123.65 1hqw s GLN 143 Ca 0.10 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1hqw s GLN 143 Cb -0.11 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.27 1hqw s GLN 143 CO -0.01 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 1hqw n GLY 144 N 2.16 0.61 0.92 3.09 0.00 -1.26 -0.87 105.19 109.84 1hqw n GLY 144 Ca -0.16 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1hqw n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hqw n ASP 145 N 5.93 2.74 -4.77 1.61 8.00 0.11 -4.94 116.55 125.23 1hqw n ASP 145 Ca 0.00 -1.90 -0.40 0.00 0.71 0.00 0.00 54.79 53.19 1hqw n ASP 145 Cb 0.00 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1hqw n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqw s ALA 146 N -1.56 3.46 0.06 2.24 0.00 -1.10 -4.27 121.76 120.61 1hqw s ALA 146 Ca 0.36 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1hqw s ALA 146 Cb 0.20 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1hqw s ALA 146 CO 0.28 -0.71 0.16 0.95 0.00 0.00 0.00 175.76 176.44 1hqw s THR 147 N -1.16 0.14 0.30 0.00 -4.23 -0.01 -4.78 115.64 105.90 1hqw s THR 147 Ca 0.51 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1hqw s THR 147 Cb -0.40 -1.17 -0.06 0.00 1.34 0.00 0.00 72.50 72.20 1hqw s THR 147 CO 0.53 -0.64 0.01 0.42 -0.54 0.00 0.00 174.62 174.41 1hqw s THR 148 N -3.33 1.35 0.00 3.99 -4.23 -1.26 0.05 115.64 112.21 1hqw s THR 148 Ca 0.01 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1hqw s THR 148 Cb 0.03 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1hqw s THR 148 CO -0.08 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1hqw n GLY 149 N -0.64 3.12 3.46 3.99 0.00 -0.98 -4.44 105.19 109.70 1hqw n GLY 149 Ca -0.04 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.61 1hqw n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqw n THR 150 N 0.00 0.09 -4.51 2.61 -1.04 -1.26 -0.78 114.28 109.40 1hqw n THR 150 Ca 0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 1hqw n THR 150 Cb 0.00 -1.56 -0.08 0.00 -1.82 0.00 0.00 70.33 66.88 1hqw n THR 150 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1hqw n ASP 151 N 10.87 -1.83 -1.10 8.00 5.75 -1.26 -0.87 116.55 136.11 1hqw n ASP 151 Ca 0.46 -1.23 -0.12 0.00 -0.01 0.00 0.00 54.79 53.89 1hqw n ASP 151 Cb 0.23 -1.71 -0.03 0.00 -1.03 0.00 0.00 41.12 38.58 1hqw n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqw n GLY 152 N -1.17 0.71 3.57 6.12 0.00 0.04 -4.97 105.19 109.49 1hqw n GLY 152 Ca 0.09 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1hqw n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqw s ASN 153 N -2.70 3.89 -0.36 1.61 0.01 -0.05 -0.93 114.94 116.40 1hqw s ASN 153 Ca 0.00 -1.11 -0.12 0.00 -0.71 0.00 0.00 52.86 50.92 1hqw s ASN 153 Cb 0.00 -0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1hqw s ASN 153 CO 0.00 -0.19 0.22 -0.22 -1.51 0.00 0.00 177.10 175.40 1hqw s LEU 154 N -3.64 4.64 -0.49 0.60 2.96 -0.20 -2.31 118.68 120.24 1hqw s LEU 154 Ca 0.33 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 53.29 1hqw s LEU 154 Cb 0.01 -2.07 0.06 0.00 0.50 0.00 0.00 46.19 44.69 1hqw s LEU 154 CO 0.17 -0.33 0.56 -1.61 -1.32 0.00 0.00 176.35 173.83 1hqw s GLU 155 N 1.62 3.09 0.19 1.98 0.41 0.11 -0.37 118.70 125.74 1hqw s GLU 155 Ca 0.04 -0.97 -0.06 0.00 -0.41 0.00 0.00 54.97 53.57 1hqw s GLU 155 Cb -0.18 -4.09 0.11 0.00 -1.78 0.00 0.00 34.13 28.18 1hqw s GLU 155 CO 0.08 -1.15 1.56 -0.07 -0.49 0.00 0.00 175.26 175.19 1hqw h LEU 156 N 9.46 0.81 -9.22 1.80 3.38 -1.55 0.02 115.31 120.01 1hqw h LEU 156 Ca -0.28 -0.34 -0.62 0.00 0.09 0.00 0.00 57.88 56.73 1hqw h LEU 156 Cb 1.10 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.48 1hqw h LEU 156 CO 0.93 1.07 -0.76 0.42 0.09 0.00 0.00 178.44 180.20 1hqw s THR 157 N -4.41 2.66 0.07 0.22 -4.23 -1.26 -2.70 115.64 105.98 1hqw s THR 157 Ca -0.09 -2.14 -0.33 0.00 -1.18 0.00 0.00 61.69 57.95 1hqw s THR 157 Cb 0.12 -2.35 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1hqw s THR 157 CO 0.85 -0.27 1.78 0.54 -0.54 0.00 0.00 174.62 176.97 1hqw n ARG 158 N -0.30 2.42 -4.01 3.99 1.74 -1.26 -4.76 116.66 114.48 1hqw n ARG 158 Ca -0.08 0.88 -0.30 0.00 -0.77 0.00 0.00 57.85 57.58 1hqw n ARG 158 Cb 0.58 -2.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.13 1hqw n ARG 158 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hqw s VAL 159 N 2.66 1.52 0.93 1.55 1.01 -1.26 -0.43 120.40 126.38 1hqw s VAL 159 Ca 0.85 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1hqw s VAL 159 Cb -0.60 -1.45 0.15 0.00 0.00 0.00 0.00 36.38 34.48 1hqw s VAL 159 CO 0.42 0.43 1.12 -0.94 0.00 0.00 0.00 175.10 176.14 1hqw s SER 160 N 1.50 2.88 0.58 3.32 1.04 0.16 -4.84 113.70 118.34 1hqw s SER 160 Ca 0.05 2.05 0.28 0.00 0.48 0.00 0.00 55.95 58.81 1hqw s SER 160 Cb -0.13 -2.52 1.54 0.00 0.10 0.00 0.00 66.02 65.01 1hqw s SER 160 CO -0.10 -3.11 1.99 0.77 0.98 0.00 0.00 173.24 173.77 1hqw h SER 161 N -1.87 0.00 -0.05 7.02 4.64 -2.00 0.16 113.55 121.44 1hqw h SER 161 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1hqw h SER 161 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1hqw h SER 161 CO 0.44 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 1hqw n ASN 162 N -3.82 1.03 0.00 4.97 6.94 -1.26 -4.92 115.26 118.20 1hqw n ASN 162 Ca 0.06 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1hqw n ASN 162 Cb 0.52 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1hqw n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hqw n GLY 163 N 1.07 0.77 3.70 4.83 0.00 0.56 -5.07 105.19 111.06 1hqw n GLY 163 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1hqw n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqw s SER 164 N -2.32 6.62 0.34 1.61 0.01 -1.25 -4.81 113.70 113.89 1hqw s SER 164 Ca 0.00 0.74 -0.28 0.00 1.31 0.00 0.00 55.95 57.72 1hqw s SER 164 Cb 0.00 -2.28 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1hqw s SER 164 CO 0.00 -0.06 1.25 -2.16 0.41 0.00 0.00 173.24 172.68 1hqw s PRO 165 N 0.98 4.34 0.02 12.44 0.04 -1.26 -0.67 135.00 150.89 1hqw s PRO 165 Ca 0.25 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 1hqw s PRO 165 Cb -0.15 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1hqw s PRO 165 CO 0.10 -0.15 0.20 -0.65 0.04 0.00 0.00 177.00 176.53 1hqw s GLN 166 N -1.83 3.44 0.66 4.56 -1.52 0.43 -4.78 119.66 120.63 1hqw s GLN 166 Ca 0.50 -0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 53.50 1hqw s GLN 166 Cb -0.37 -3.07 0.05 0.00 -0.22 0.00 0.00 33.01 29.40 1hqw s GLN 166 CO 0.49 0.65 0.96 0.20 -0.25 0.00 0.00 175.29 177.33 1hqw s GLY 167 N -2.17 1.70 -1.44 3.09 0.00 -1.26 -4.31 107.32 102.93 1hqw s GLY 167 Ca 0.31 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1hqw s GLY 167 CO 0.22 -0.61 0.61 1.44 0.00 0.00 0.00 173.10 174.76 1hqw n SER 168 N -2.77 -5.12 -4.63 1.64 7.64 -0.66 -4.92 113.62 104.80 1hqw n SER 168 Ca 0.08 -0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.28 1hqw n SER 168 Cb 0.60 -4.16 -0.09 0.00 -1.01 0.00 0.00 64.21 59.55 1hqw n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1hqw s SER 169 N -2.77 4.77 -0.10 6.43 0.15 -1.12 -4.93 113.70 116.13 1hqw s SER 169 Ca 0.37 -0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.77 1hqw s SER 169 Cb -0.18 -1.10 0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1hqw s SER 169 CO 0.46 0.23 0.26 0.54 1.20 0.00 0.00 173.24 175.93 1hqw s VAL 170 N -1.15 -0.02 -0.07 4.45 0.11 -1.26 -1.24 120.40 121.22 1hqw s VAL 170 Ca 0.21 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 1hqw s VAL 170 Cb -0.11 -0.38 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 1hqw s VAL 170 CO 0.12 0.03 0.63 -0.83 -3.33 0.00 0.00 175.10 171.72 1hqw s GLY 171 N 0.68 -0.51 0.03 6.54 0.00 -0.95 -0.71 107.32 112.40 1hqw s GLY 171 Ca -0.04 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 1hqw s GLY 171 CO -0.04 0.93 -0.03 0.50 0.00 0.00 0.00 173.10 174.46 1hqw s ARG 172 N -1.02 0.40 -0.12 2.90 0.52 -0.05 -2.12 118.95 119.46 1hqw s ARG 172 Ca -0.10 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1hqw s ARG 172 Cb -0.01 0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.59 1hqw s ARG 172 CO 0.08 -0.06 -0.09 0.00 0.02 0.00 0.00 175.30 175.25 1hqw s ALA 173 N -2.05 1.44 0.05 2.13 0.00 -0.06 -0.84 121.76 122.44 1hqw s ALA 173 Ca -0.10 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1hqw s ALA 173 Cb -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1hqw s ALA 173 CO -0.03 -0.42 -0.19 -0.51 0.00 0.00 0.00 175.76 174.61 1hqw s LEU 174 N 1.66 2.57 0.37 0.00 1.02 0.02 -0.92 118.68 123.40 1hqw s LEU 174 Ca 0.05 -0.46 -0.27 0.00 0.02 0.00 0.00 54.13 53.47 1hqw s LEU 174 Cb -0.13 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.50 1hqw s LEU 174 CO -0.09 0.25 1.18 0.12 0.02 0.00 0.00 176.35 177.83 1hqw s PHE 175 N -0.94 3.16 0.22 0.29 5.36 -0.66 -0.15 117.98 125.25 1hqw s PHE 175 Ca 0.15 1.56 -0.09 0.00 -0.96 0.00 0.00 56.93 57.58 1hqw s PHE 175 Cb -0.10 -3.42 0.21 0.00 -0.34 0.00 0.00 43.02 39.36 1hqw s PHE 175 CO 0.05 -1.27 1.86 -0.92 -1.46 0.00 0.00 175.22 173.48 1hqw h TYR 176 N 2.98 0.89 -3.27 10.12 3.20 -1.18 -3.44 116.97 126.27 1hqw h TYR 176 Ca -0.48 0.02 -0.57 0.00 3.14 0.00 0.00 58.73 60.84 1hqw h TYR 176 Cb 1.23 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 1hqw h TYR 176 CO 0.56 0.51 -0.02 0.00 -1.64 0.00 0.00 178.16 177.57 1hqw s ALA 177 N -6.11 3.55 0.53 1.82 0.00 -1.26 -5.04 121.76 115.25 1hqw s ALA 177 Ca -0.13 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1hqw s ALA 177 Cb 0.16 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1hqw s ALA 177 CO 0.78 0.32 1.17 -2.14 0.00 0.00 0.00 175.76 175.88 1hqw s PRO 178 N -0.81 3.37 -0.10 0.00 0.02 -1.26 -4.80 135.00 131.42 1hqw s PRO 178 Ca 0.30 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 63.05 1hqw s PRO 178 Cb -0.19 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 1hqw s PRO 178 CO 0.19 -0.86 -0.07 0.08 -0.33 0.00 0.00 177.00 176.00 1hqw s VAL 179 N -1.64 3.62 -0.46 3.83 1.01 0.35 -4.93 120.40 122.18 1hqw s VAL 179 Ca 0.71 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1hqw s VAL 179 Cb -0.27 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1hqw s VAL 179 CO 0.31 0.56 0.70 -2.28 0.00 0.00 0.00 175.10 174.40 1hqw s HIS 180 N -0.36 3.02 -0.48 5.22 2.46 -1.26 -1.29 115.29 122.60 1hqw s HIS 180 Ca 0.05 -0.05 0.22 0.00 0.47 0.00 0.00 55.06 55.75 1hqw s HIS 180 Cb -0.12 -3.51 -0.14 0.00 -0.13 0.00 0.00 32.58 28.68 1hqw s HIS 180 CO 0.02 -0.96 0.83 0.44 -2.47 0.00 0.00 174.74 172.60 1hqw n ILE 181 N 5.93 0.11 -4.28 0.89 -5.35 -0.71 -4.93 119.36 111.01 1hqw n ILE 181 Ca -0.01 -0.29 -0.18 0.00 -0.27 0.00 0.00 62.75 62.00 1hqw n ILE 181 Cb 0.48 0.27 -0.14 0.00 -1.74 0.00 0.00 39.64 38.51 1hqw n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1hqw s TRP 182 N -3.27 0.89 -0.04 4.28 -0.00 -1.23 -4.91 118.94 114.66 1hqw s TRP 182 Ca 0.01 -0.28 -0.03 0.00 -0.00 0.00 0.00 56.10 55.79 1hqw s TRP 182 Cb 0.14 -0.55 0.01 0.00 -0.00 0.00 0.00 33.47 33.08 1hqw s TRP 182 CO 0.85 -0.01 0.10 -2.00 -0.00 0.00 0.00 176.95 175.89 1hqw s GLU 183 N -0.78 0.11 0.46 5.86 2.12 -1.26 -4.94 118.70 120.27 1hqw s GLU 183 Ca 0.00 0.16 0.22 0.00 0.36 0.00 0.00 54.97 55.71 1hqw s GLU 183 Cb -0.06 0.03 1.11 0.00 0.26 0.00 0.00 34.13 35.46 1hqw s GLU 183 CO 0.00 -0.03 1.95 0.66 -0.54 0.00 0.00 175.26 177.30 1hqw h SER 184 N 6.14 0.00 0.01 -1.70 4.64 -2.02 -2.91 113.55 117.71 1hqw h SER 184 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1hqw h SER 184 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1hqw h SER 184 CO 0.44 0.22 -0.12 -1.20 -0.87 0.00 0.00 176.83 175.30 1hqw n SER 185 N -3.76 2.18 -4.72 4.97 7.64 -1.26 -4.97 113.62 113.70 1hqw n SER 185 Ca -0.01 -1.64 -0.42 0.00 1.01 0.00 0.00 58.87 57.80 1hqw n SER 185 Cb 0.33 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1hqw n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hqw s ALA 186 N -2.15 3.52 -0.16 -0.43 0.00 -1.10 -2.35 121.76 119.08 1hqw s ALA 186 Ca 0.28 1.03 0.13 0.00 0.00 0.00 0.00 51.96 53.40 1hqw s ALA 186 Cb 0.20 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 1hqw s ALA 186 CO 0.39 -0.54 0.21 1.33 0.00 0.00 0.00 175.76 177.14 1hqw n VAL 187 N 3.80 1.49 -4.10 0.00 0.24 0.10 -4.92 118.33 114.94 1hqw n VAL 187 Ca 0.10 -0.79 -0.16 0.00 -2.04 0.00 0.00 64.34 61.45 1hqw n VAL 187 Cb 0.44 -0.84 -0.15 0.00 -1.47 0.00 0.00 33.84 31.82 1hqw n VAL 187 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hqw s VAL 188 N -2.53 0.35 -0.01 3.34 1.01 -1.15 -4.89 120.40 116.52 1hqw s VAL 188 Ca -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1hqw s VAL 188 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1hqw s VAL 188 CO 0.79 0.11 0.02 0.00 0.00 0.00 0.00 175.10 176.03 1hqw s ALA 189 N 0.08 -0.04 0.09 5.51 0.00 -1.26 -0.30 121.76 125.84 1hqw s ALA 189 Ca -0.00 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 1hqw s ALA 189 Cb -0.04 -0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.11 1hqw s ALA 189 CO -0.00 -0.02 0.72 -1.54 0.00 0.00 0.00 175.76 174.92 1hqw s SER 190 N 0.09 -0.49 0.03 0.00 1.04 -0.45 0.43 113.70 114.36 1hqw s SER 190 Ca -0.01 0.00 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 1hqw s SER 190 Cb -0.01 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1hqw s SER 190 CO -0.00 -0.83 0.09 0.72 0.98 0.00 0.00 173.24 174.20 1hqw s PHE 191 N -3.48 0.17 -0.04 5.02 -0.12 -0.64 -0.32 117.98 118.57 1hqw s PHE 191 Ca 0.03 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1hqw s PHE 191 Cb -0.01 -0.13 0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1hqw s PHE 191 CO -0.11 -0.32 0.00 -2.00 -0.05 0.00 0.00 175.22 172.74 1hqw s GLU 192 N -2.12 0.33 -0.01 1.99 2.12 0.74 -2.78 118.70 118.97 1hqw s GLU 192 Ca -0.09 0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.40 1hqw s GLU 192 Cb -0.04 -0.56 -0.02 0.00 0.26 0.00 0.00 34.13 33.77 1hqw s GLU 192 CO -0.02 -0.17 -0.19 0.00 -0.54 0.00 0.00 175.26 174.34 1hqw s ALA 193 N 1.22 1.61 -0.10 6.30 0.00 -0.53 -0.62 121.76 129.64 1hqw s ALA 193 Ca -0.07 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1hqw s ALA 193 Cb -0.13 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1hqw s ALA 193 CO -0.02 0.39 0.26 0.99 0.00 0.00 0.00 175.76 177.38 1hqw s THR 194 N -0.49 -0.01 -0.11 0.00 2.01 -0.35 -0.75 115.64 115.96 1hqw s THR 194 Ca 0.07 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 1hqw s THR 194 Cb -0.08 -0.37 0.05 0.00 0.01 0.00 0.00 72.50 72.11 1hqw s THR 194 CO -0.01 0.01 0.48 0.72 -0.69 0.00 0.00 174.62 175.13 1hqw s PHE 195 N 0.31 -0.46 -0.16 4.92 -0.71 -0.94 -1.05 117.98 119.88 1hqw s PHE 195 Ca -0.01 0.97 -0.07 0.00 -1.04 0.00 0.00 56.93 56.78 1hqw s PHE 195 Cb -0.03 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1hqw s PHE 195 CO -0.01 -0.37 0.09 0.95 -1.34 0.00 0.00 175.22 174.53 1hqw s THR 196 N -0.52 5.02 0.39 -4.49 -4.23 -0.84 -1.41 115.64 109.56 1hqw s THR 196 Ca -0.06 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1hqw s THR 196 Cb -0.03 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1hqw s THR 196 CO 0.04 0.50 0.06 0.72 -0.54 0.00 0.00 174.62 175.40 1hqw s PHE 197 N -0.02 1.99 -0.31 3.99 -0.12 -0.36 -1.79 117.98 121.36 1hqw s PHE 197 Ca 0.07 -0.99 -0.00 0.00 -0.05 0.00 0.00 56.93 55.96 1hqw s PHE 197 Cb -0.12 -1.38 0.14 0.00 -0.63 0.00 0.00 43.02 41.03 1hqw s PHE 197 CO 0.01 0.03 0.29 -1.17 -0.05 0.00 0.00 175.22 174.33 1hqw s LEU 198 N -3.61 -0.08 -0.28 -1.99 2.96 -0.33 -1.05 118.68 114.31 1hqw s LEU 198 Ca 0.29 -1.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.02 1hqw s LEU 198 Cb 0.06 0.39 -0.03 0.00 0.50 0.00 0.00 46.19 47.12 1hqw s LEU 198 CO 0.14 -0.37 0.45 -0.63 -1.32 0.00 0.00 176.35 174.62 1hqw s ILE 199 N 2.12 5.11 -0.01 6.68 1.01 -1.26 -3.11 121.20 131.74 1hqw s ILE 199 Ca 0.11 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1hqw s ILE 199 Cb -0.15 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1hqw s ILE 199 CO -0.27 0.07 0.01 -0.75 0.00 0.00 0.00 174.94 174.01 1hqw s LYS 200 N 2.20 0.03 -0.06 2.79 2.20 -1.24 -0.82 119.74 124.85 1hqw s LYS 200 Ca 0.18 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 1hqw s LYS 200 Cb -0.16 -0.20 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1hqw s LYS 200 CO 0.10 -0.10 0.22 0.45 -0.36 0.00 0.00 175.35 175.66 1hqw s SER 201 N 0.68 -0.18 0.13 1.43 0.15 -1.26 -0.19 113.70 114.47 1hqw s SER 201 Ca -0.06 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.11 1hqw s SER 201 Cb -0.09 0.40 0.95 0.00 -1.71 0.00 0.00 66.02 65.57 1hqw s SER 201 CO -0.02 -0.20 1.78 -0.81 1.20 0.00 0.00 173.24 175.19 1hqw n PRO 202 N 2.38 0.14 -2.84 5.44 -0.04 -1.26 -4.83 135.00 133.98 1hqw n PRO 202 Ca -0.16 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 1hqw n PRO 202 Cb 0.57 -1.69 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1hqw n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hqw s ASP 203 N -3.85 5.72 0.00 3.54 1.01 -1.26 -5.00 116.67 116.82 1hqw s ASP 203 Ca 0.10 0.31 0.27 0.00 0.71 0.00 0.00 52.55 53.94 1hqw s ASP 203 Cb 0.14 -1.47 0.81 0.00 1.01 0.00 0.00 42.92 43.41 1hqw s ASP 203 CO 0.51 -0.82 1.61 -1.54 0.21 0.00 0.00 175.17 175.14 1hqw n SER 204 N -2.19 0.52 -3.55 0.27 3.41 -1.26 -4.37 113.62 106.45 1hqw n SER 204 Ca 0.03 -0.32 -0.27 0.00 -0.26 0.00 0.00 58.87 58.05 1hqw n SER 204 Cb 0.58 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1hqw n SER 204 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hqw n HIS 205 N -1.22 1.59 -1.23 7.33 8.25 -1.26 -5.12 115.22 123.56 1hqw n HIS 205 Ca 0.09 -3.88 -0.30 0.00 -0.26 0.00 0.00 57.72 53.36 1hqw n HIS 205 Cb 0.33 -0.32 0.11 0.00 1.12 0.00 0.00 29.99 31.23 1hqw n HIS 205 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1hqw s PRO 206 N -1.21 1.78 -0.05 -0.41 0.04 -1.26 -4.52 135.00 129.37 1hqw s PRO 206 Ca 0.32 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1hqw s PRO 206 Cb 0.05 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.85 1hqw s PRO 206 CO -0.14 -1.93 0.89 0.00 0.04 0.00 0.00 177.00 175.86 1hqw s ALA 207 N -2.92 -1.84 -0.09 8.56 0.00 -1.16 -4.13 121.76 120.19 1hqw s ALA 207 Ca 0.62 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.88 1hqw s ALA 207 Cb -0.18 0.02 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 1hqw s ALA 207 CO 0.56 -0.53 0.21 -0.25 0.00 0.00 0.00 175.76 175.76 1hqw n ASP 208 N 0.20 2.52 0.00 0.00 8.00 0.27 -2.98 116.55 124.56 1hqw n ASP 208 Ca -0.11 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1hqw n ASP 208 Cb 0.60 1.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.99 1hqw n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqw n GLY 209 N 1.85 2.86 3.45 0.44 0.00 -1.23 -2.40 105.19 110.16 1hqw n GLY 209 Ca -0.01 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1hqw n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqw s ILE 210 N -1.89 2.56 -0.15 -0.61 1.01 -0.20 -3.03 121.20 118.89 1hqw s ILE 210 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1hqw s ILE 210 Cb 0.00 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1hqw s ILE 210 CO 0.00 -0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.27 1hqw s ALA 211 N -1.48 -0.93 -0.11 9.38 0.00 0.70 0.84 121.76 130.16 1hqw s ALA 211 Ca 0.20 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.24 1hqw s ALA 211 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 1hqw s ALA 211 CO 0.10 -0.21 0.34 0.12 0.00 0.00 0.00 175.76 176.11 1hqw s PHE 212 N 0.79 3.54 0.17 0.00 5.36 -0.56 0.00 117.98 127.28 1hqw s PHE 212 Ca -0.05 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 1hqw s PHE 212 Cb -0.06 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1hqw s PHE 212 CO -0.06 0.36 0.05 -0.59 -1.46 0.00 0.00 175.22 173.52 1hqw s PHE 213 N 0.01 1.11 -0.07 10.12 -0.71 0.13 -1.43 117.98 127.15 1hqw s PHE 213 Ca 0.20 -1.16 -0.00 0.00 -1.04 0.00 0.00 56.93 54.93 1hqw s PHE 213 Cb -0.14 -0.62 0.02 0.00 -1.21 0.00 0.00 43.02 41.07 1hqw s PHE 213 CO 0.07 -0.39 -0.03 0.42 -1.34 0.00 0.00 175.22 173.95 1hqw s ILE 214 N -3.87 0.58 0.31 -4.49 1.01 -0.33 -1.26 121.20 113.15 1hqw s ILE 214 Ca 0.27 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1hqw s ILE 214 Cb 0.07 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1hqw s ILE 214 CO 0.05 0.27 0.20 -1.54 0.00 0.00 0.00 174.94 173.92 1hqw n SER 215 N 4.61 0.04 -4.77 3.58 3.41 -0.40 -2.35 113.62 117.74 1hqw n SER 215 Ca -0.16 -2.89 -0.35 0.00 -0.26 0.00 0.00 58.87 55.21 1hqw n SER 215 Cb 0.50 1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1hqw n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hqw s ASN 216 N -3.08 5.78 0.31 4.04 4.22 -1.21 -1.15 114.94 123.86 1hqw s ASN 216 Ca 0.28 2.18 0.08 0.00 -2.14 0.00 0.00 52.86 53.26 1hqw s ASN 216 Cb 0.01 -2.58 0.87 0.00 1.28 0.00 0.00 41.25 40.83 1hqw s ASN 216 CO 0.20 -1.18 1.70 0.16 -2.04 0.00 0.00 177.10 175.94 1hqw h ILE 217 N 1.27 0.45 -0.93 0.54 3.07 -1.83 -2.56 117.51 117.52 1hqw h ILE 217 Ca -0.50 -0.15 -0.54 0.00 1.55 0.00 0.00 64.86 65.22 1hqw h ILE 217 Cb 1.26 -0.03 -0.22 0.00 -0.27 0.00 0.00 36.82 37.56 1hqw h ILE 217 CO 0.57 0.08 0.68 0.47 -1.05 0.00 0.00 178.15 178.90 1hqw n ASP 218 N -5.00 7.11 -4.78 2.16 8.00 -1.26 -4.86 116.55 117.93 1hqw n ASP 218 Ca 0.26 -3.47 -0.37 0.00 0.71 0.00 0.00 54.79 51.92 1hqw n ASP 218 Cb 0.77 -1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 1hqw n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1hqw s SER 219 N -0.78 7.35 0.11 -2.24 0.15 -0.96 -5.06 113.70 112.27 1hqw s SER 219 Ca 0.51 1.87 -0.05 0.00 0.70 0.00 0.00 55.95 58.97 1hqw s SER 219 Cb 0.39 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1hqw s SER 219 CO -0.08 -0.06 0.13 -0.94 1.20 0.00 0.00 173.24 173.49 1hqw s SER 220 N -1.55 0.23 0.04 5.45 1.04 -1.26 -5.10 113.70 112.55 1hqw s SER 220 Ca 0.49 -0.94 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 1hqw s SER 220 Cb -0.20 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 1hqw s SER 220 CO 0.25 -0.75 1.90 -0.63 0.98 0.00 0.00 173.24 174.99 1hqw s ILE 221 N -3.96 3.01 0.77 -1.02 1.01 -1.26 -4.97 121.20 114.78 1hqw s ILE 221 Ca 0.14 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1hqw s ILE 221 Cb 0.06 -3.08 0.06 0.00 0.01 0.00 0.00 42.46 39.51 1hqw s ILE 221 CO -0.04 -0.01 1.14 -2.84 0.00 0.00 0.00 174.94 173.19 1hqw s PRO 222 N 4.09 2.02 0.15 2.79 0.02 -1.26 -4.94 135.00 137.86 1hqw s PRO 222 Ca 0.85 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1hqw s PRO 222 Cb -0.42 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 1hqw s PRO 222 CO 0.39 -1.87 1.28 -1.12 -0.33 0.00 0.00 177.00 175.35 1hqw s SER 223 N -2.65 6.96 -1.49 2.53 0.01 -1.26 -3.19 113.70 114.62 1hqw s SER 223 Ca 0.68 2.27 -0.02 0.00 1.31 0.00 0.00 55.95 60.18 1hqw s SER 223 Cb -0.23 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1hqw s SER 223 CO 0.50 -0.50 0.27 0.61 0.41 0.00 0.00 173.24 174.53 1hqw n GLY 224 N 2.74 -0.39 1.61 3.44 0.00 -1.26 -4.87 105.19 106.46 1hqw n GLY 224 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1hqw n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqw n SER 225 N -1.78 3.55 -3.96 1.61 3.41 -1.19 -4.90 113.62 110.36 1hqw n SER 225 Ca -0.16 -2.83 -0.30 0.00 -0.26 0.00 0.00 58.87 55.32 1hqw n SER 225 Cb 0.64 -0.67 0.21 0.00 -0.26 0.00 0.00 64.21 64.12 1hqw n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1hqw s THR 226 N -1.98 1.87 0.00 6.66 -4.23 -1.26 0.41 115.64 117.11 1hqw s THR 226 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1hqw s THR 226 Cb 0.27 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1hqw s THR 226 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1hqw n GLY 227 N -2.95 3.30 0.36 3.99 0.00 -0.97 -3.27 105.19 105.65 1hqw n GLY 227 Ca 0.15 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.13 1hqw n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1hqw h ARG 228 N 0.00 0.00 -0.11 1.61 0.11 -1.91 -2.28 114.38 111.80 1hqw h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hqw h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1hqw h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1hqw n LEU 229 N -3.69 0.98 -1.20 0.08 4.77 -1.20 -4.94 117.00 111.79 1hqw n LEU 229 Ca 0.04 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.53 1hqw n LEU 229 Cb 0.45 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1hqw n LEU 229 CO 0.26 0.21 -0.07 0.18 -1.33 0.00 0.00 177.39 176.64 1hqw n LEU 230 N -0.12 -0.52 -0.02 2.23 4.77 -0.86 -1.49 117.00 120.99 1hqw n LEU 230 Ca 0.14 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1hqw n LEU 230 Cb 0.21 -1.31 -0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1hqw n LEU 230 CO 0.11 -0.38 -0.00 0.61 -1.33 0.00 0.00 177.39 176.40 1hqw n GLY 231 N -0.13 0.37 0.21 -0.72 0.00 0.17 -3.91 105.19 101.18 1hqw n GLY 231 Ca -0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1hqw n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqw n LEU 232 N -0.03 2.38 -4.72 0.99 4.77 -0.56 -4.39 117.00 115.45 1hqw n LEU 232 Ca -0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1hqw n LEU 232 Cb 0.15 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1hqw n LEU 232 CO 0.00 0.64 -0.30 -0.36 -1.33 0.00 0.00 177.39 176.05 1hqw s PHE 233 N -2.33 3.02 -0.10 -1.77 0.08 -1.13 -4.75 117.98 110.99 1hqw s PHE 233 Ca -0.23 -0.03 0.14 0.00 0.12 0.00 0.00 56.93 56.93 1hqw s PHE 233 Cb 0.07 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.95 1hqw s PHE 233 CO 0.36 0.50 1.17 -1.00 -0.10 0.00 0.00 175.22 176.15 1hqw h PRO 234 N 3.03 0.00 -4.18 0.24 0.13 -1.91 -3.42 132.00 125.90 1hqw h PRO 234 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 1hqw h PRO 234 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1hqw h PRO 234 CO 0.61 0.50 -0.26 0.16 -0.23 0.00 0.00 178.00 178.78 1hqw s ASP 235 N -6.25 0.76 -0.50 1.44 1.47 -1.26 -4.87 116.67 107.45 1hqw s ASP 235 Ca 0.01 -1.42 0.01 0.00 1.18 0.00 0.00 52.55 52.33 1hqw s ASP 235 Cb 0.08 0.61 0.50 0.00 -0.34 0.00 0.00 42.92 43.78 1hqw s ASP 235 CO 0.78 -1.20 1.93 0.00 0.68 0.00 0.00 175.17 177.36 1hqw n ALA 236 N -0.51 5.70 1.30 2.11 0.00 -1.26 -4.73 120.51 123.11 1hqw n ALA 236 Ca 0.01 -2.86 0.13 0.00 0.00 0.00 0.00 53.44 50.72 1hqw n ALA 236 Cb 0.62 -1.55 0.35 0.00 0.00 0.00 0.00 19.45 18.87 1hqw n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59