#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2haq s PRO 23 N 0.00 -0.96 0.14 3.44 0.04 -1.26 -4.98 135.00 131.43 2haq s PRO 23 Ca 0.00 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 2haq s PRO 23 Cb 0.00 -1.56 -0.07 0.00 0.04 0.00 0.00 34.50 32.91 2haq s PRO 23 CO 0.00 -3.71 0.99 -2.00 0.04 0.00 0.00 177.00 172.32 2haq s GLU 24 N -4.59 4.69 -0.19 4.56 2.12 -1.26 -5.01 118.70 119.02 2haq s GLU 24 Ca 0.68 1.52 -0.22 0.00 0.36 0.00 0.00 54.97 57.31 2haq s GLU 24 Cb -0.23 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2haq s GLU 24 CO 0.63 0.22 0.67 0.08 -0.54 0.00 0.00 175.26 176.32 2haq s VAL 25 N -0.19 4.99 -0.22 3.70 1.01 -1.26 -4.09 120.40 124.34 2haq s VAL 25 Ca 0.47 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.79 2haq s VAL 25 Cb -0.25 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2haq s VAL 25 CO 0.31 0.09 0.25 0.35 0.00 0.00 0.00 175.10 176.10 2haq n THR 26 N 4.71 0.00 -3.62 3.92 -2.24 0.47 -4.95 114.28 112.56 2haq n THR 26 Ca -0.00 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2haq n THR 26 Cb 0.49 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 2haq n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2haq s ALA 27 N -1.95 -1.16 -0.04 6.98 0.00 -1.24 -4.96 121.76 119.40 2haq s ALA 27 Ca 0.01 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2haq s ALA 27 Cb 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2haq s ALA 27 CO 0.29 -0.47 -0.20 0.15 0.00 0.00 0.00 175.76 175.54 2haq s LYS 28 N -2.37 1.92 0.27 0.00 1.02 -1.26 -0.56 119.74 118.76 2haq s LYS 28 Ca -0.06 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.25 2haq s LYS 28 Cb -0.01 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.55 2haq s LYS 28 CO -0.01 0.32 0.07 0.14 -0.92 0.00 0.00 175.35 174.95 2haq s VAL 29 N -0.14 0.80 0.17 3.17 -7.23 -0.11 -0.97 120.40 116.10 2haq s VAL 29 Ca -0.01 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 2haq s VAL 29 Cb -0.11 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 2haq s VAL 29 CO 0.02 -0.05 0.29 -0.72 -0.31 0.00 0.00 175.10 174.33 2haq s TYR 30 N -3.58 0.43 -0.03 2.82 -0.85 -0.56 -0.45 117.35 115.13 2haq s TYR 30 Ca 0.36 -0.79 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 2haq s TYR 30 Cb 0.08 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.38 2haq s TYR 30 CO 0.13 -0.74 -0.02 -0.06 -1.52 0.00 0.00 175.55 173.35 2haq s PHE 31 N -3.98 0.44 -0.23 -3.49 0.08 -0.64 -2.80 117.98 107.37 2haq s PHE 31 Ca 0.19 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 57.07 2haq s PHE 31 Cb 0.03 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.99 2haq s PHE 31 CO 0.01 -0.12 0.14 -0.51 -0.10 0.00 0.00 175.22 174.64 2haq s ASP 32 N 0.77 5.99 0.01 1.36 -0.00 0.20 -1.05 116.67 123.96 2haq s ASP 32 Ca -0.09 0.10 0.06 0.00 -0.00 0.00 0.00 52.55 52.62 2haq s ASP 32 Cb -0.12 -2.07 -0.03 0.00 -0.00 0.00 0.00 42.92 40.70 2haq s ASP 32 CO -0.01 0.09 -0.17 -0.69 -0.00 0.00 0.00 175.17 174.39 2haq s VAL 33 N 0.93 2.87 0.03 -1.27 1.01 -0.69 -1.04 120.40 122.23 2haq s VAL 33 Ca 0.07 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2haq s VAL 33 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2haq s VAL 33 CO 0.03 0.43 -0.05 -0.04 0.00 0.00 0.00 175.10 175.47 2haq s MET 34 N -1.17 0.41 -0.29 2.72 -1.94 -0.09 -0.80 119.30 118.14 2haq s MET 34 Ca 0.14 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2haq s MET 34 Cb -0.11 -0.08 0.09 0.00 2.01 0.00 0.00 34.83 36.74 2haq s MET 34 CO 0.04 -0.00 0.06 0.42 -0.01 0.00 0.00 175.02 175.52 2haq s ILE 35 N -1.42 1.24 -0.26 2.53 1.01 -0.49 -0.90 121.20 122.91 2haq s ILE 35 Ca -0.13 -1.50 -0.23 0.00 0.00 0.00 0.00 60.65 58.79 2haq s ILE 35 Cb -0.10 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.56 2haq s ILE 35 CO -0.00 -0.53 0.38 -0.67 0.00 0.00 0.00 174.94 174.12 2haq n ASP 36 N 4.71 -3.89 0.00 3.58 2.03 -1.26 -1.76 116.55 119.96 2haq n ASP 36 Ca -0.03 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2haq n ASP 36 Cb 0.43 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2haq n ASP 36 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2haq n SER 37 N 0.39 0.00 -4.50 1.67 3.41 -1.26 -4.97 113.62 108.35 2haq n SER 37 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.14 2haq n SER 37 Cb 0.45 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2haq n SER 37 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2haq s GLU 38 N 0.00 3.30 0.04 4.33 2.56 -0.72 -5.06 118.70 123.15 2haq s GLU 38 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 54.97 53.90 2haq s GLU 38 Cb 0.00 -3.88 -0.05 0.00 2.00 0.00 0.00 34.13 32.20 2haq s GLU 38 CO 0.00 -0.58 1.15 -1.25 -0.56 0.00 0.00 175.26 174.02 2haq s PRO 39 N 1.75 4.46 0.03 4.30 0.04 -1.26 -1.40 135.00 142.92 2haq s PRO 39 Ca 0.06 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.00 2haq s PRO 39 Cb -0.18 -3.38 -0.21 0.00 0.04 0.00 0.00 34.50 30.77 2haq s PRO 39 CO 0.11 -0.21 0.63 1.28 0.04 0.00 0.00 177.00 178.85 2haq n LEU 40 N 3.94 0.33 0.00 -3.56 4.32 0.02 -4.97 117.00 117.08 2haq n LEU 40 Ca 0.08 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 2haq n LEU 40 Cb 0.47 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2haq n LEU 40 CO 0.55 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 2haq n GLY 41 N 1.30 0.37 3.64 -0.72 0.00 -1.23 -4.81 105.19 103.75 2haq n GLY 41 Ca -0.07 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.30 2haq n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2haq s ARG 42 N -0.29 3.27 -0.24 1.61 3.52 -1.26 -1.71 118.95 123.84 2haq s ARG 42 Ca 0.00 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.12 2haq s ARG 42 Cb 0.00 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 2haq s ARG 42 CO 0.00 0.55 0.05 0.42 -0.81 0.00 0.00 175.30 175.50 2haq s ILE 43 N -0.45 4.10 -0.21 4.11 1.01 -0.21 -4.23 121.20 125.31 2haq s ILE 43 Ca 0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 2haq s ILE 43 Cb -0.12 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2haq s ILE 43 CO 0.02 0.36 0.10 -0.89 0.00 0.00 0.00 174.94 174.53 2haq s THR 44 N 1.59 4.99 -0.08 2.92 2.01 0.14 -1.62 115.64 125.59 2haq s THR 44 Ca 0.06 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2haq s THR 44 Cb -0.15 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 2haq s THR 44 CO 0.02 0.41 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.54 2haq s ILE 45 N 0.74 2.56 -0.14 1.82 1.01 0.40 0.19 121.20 127.78 2haq s ILE 45 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2haq s ILE 45 Cb -0.13 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2haq s ILE 45 CO 0.02 0.56 0.06 -0.83 0.00 0.00 0.00 174.94 174.75 2haq s GLY 46 N -0.12 1.95 -0.00 6.18 0.00 0.39 -0.93 107.32 114.79 2haq s GLY 46 Ca -0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 2haq s GLY 46 CO 0.04 -0.24 0.07 1.08 0.00 0.00 0.00 173.10 174.06 2haq s LEU 47 N -0.34 3.87 -1.18 0.66 1.43 0.27 -1.15 118.68 122.24 2haq s LEU 47 Ca 0.09 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2haq s LEU 47 Cb -0.12 -2.26 0.23 0.00 0.03 0.00 0.00 46.19 44.07 2haq s LEU 47 CO 0.02 0.27 1.53 0.49 0.23 0.00 0.00 176.35 178.89 2haq n PHE 48 N 1.17 3.61 0.08 0.29 0.99 -0.25 -0.40 117.46 122.96 2haq n PHE 48 Ca -0.13 -3.06 0.09 0.00 -0.00 0.00 0.00 57.45 54.35 2haq n PHE 48 Cb 0.53 -1.76 0.55 0.00 -1.00 0.00 0.00 39.48 37.79 2haq n PHE 48 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2haq h GLY 49 N 7.35 0.30 1.63 1.37 0.00 -1.85 -1.67 103.07 110.20 2haq h GLY 49 Ca 0.28 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 47.27 2haq h GLY 49 CO 1.35 0.09 -1.06 0.50 0.00 0.00 0.00 176.54 177.42 2haq h LYS 50 N 0.26 0.31 0.00 4.80 1.57 -1.89 -2.98 116.57 118.64 2haq h LYS 50 Ca 0.13 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2haq h LYS 50 Cb 0.19 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2haq h LYS 50 CO -0.03 1.13 -0.72 -0.44 -0.57 0.00 0.00 179.45 178.83 2haq h ASP 51 N 0.14 0.00 -1.20 0.86 5.19 -1.82 -3.41 116.42 116.18 2haq h ASP 51 Ca -0.10 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.90 2haq h ASP 51 Cb 1.74 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.97 2haq h ASP 51 CO 0.18 0.41 -0.83 0.00 -3.12 0.00 0.00 179.24 175.87 2haq n ALA 52 N -2.25 0.76 -0.10 3.45 0.00 -0.65 -4.60 120.51 117.12 2haq n ALA 52 Ca -0.01 -2.49 -0.06 0.00 0.00 0.00 0.00 53.44 50.88 2haq n ALA 52 Cb 0.72 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 19.13 2haq n ALA 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2haq h PRO 53 N 4.16 0.16 -0.55 0.00 0.13 -1.74 0.57 132.00 134.72 2haq h PRO 53 Ca -0.00 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 2haq h PRO 53 Cb 0.95 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 2haq h PRO 53 CO 0.38 0.11 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.16 2haq h LEU 54 N 0.17 0.98 -0.11 1.56 3.38 -1.96 -2.08 115.31 117.25 2haq h LEU 54 Ca 0.16 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2haq h LEU 54 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2haq h LEU 54 CO -0.22 1.07 -0.10 0.74 0.09 0.00 0.00 178.44 180.02 2haq h THR 55 N 0.88 1.35 -0.55 0.22 2.02 -1.90 -2.60 112.91 112.33 2haq h THR 55 Ca 0.15 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 2haq h THR 55 Cb 0.58 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2haq h THR 55 CO 0.03 0.35 0.03 0.71 0.37 0.00 0.00 175.52 177.01 2haq h THR 56 N -0.13 1.25 -0.50 3.16 1.35 -0.92 -2.18 112.91 114.95 2haq h THR 56 Ca 0.02 -1.04 -0.07 0.00 -0.55 0.00 0.00 66.41 64.76 2haq h THR 56 Cb 0.61 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2haq h THR 56 CO 0.02 0.38 0.01 -0.33 -0.25 0.00 0.00 175.52 175.35 2haq h GLU 57 N 0.86 0.83 -0.12 4.72 4.39 -1.40 0.13 114.58 123.99 2haq h GLU 57 Ca 0.17 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2haq h GLU 57 Cb 0.47 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2haq h GLU 57 CO 0.02 0.83 0.05 -0.97 -1.16 0.00 0.00 179.01 177.77 2haq h ASN 58 N 0.77 0.17 -0.37 1.42 -1.24 -1.24 -1.30 115.58 113.79 2haq h ASN 58 Ca 0.15 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 2haq h ASN 58 Cb 0.46 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 2haq h ASN 58 CO 0.02 0.29 0.12 0.15 -1.29 0.00 0.00 177.43 176.72 2haq h PHE 59 N 0.04 0.58 -0.22 0.67 3.57 -1.12 -1.97 116.94 118.49 2haq h PHE 59 Ca 0.04 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2haq h PHE 59 Cb 0.17 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2haq h PHE 59 CO -0.02 0.56 0.03 -0.09 -2.23 0.00 0.00 178.31 176.56 2haq h ARG 60 N 0.44 0.10 0.00 1.11 2.43 -0.66 -1.36 114.38 116.45 2haq h ARG 60 Ca 0.12 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2haq h ARG 60 Cb 0.24 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2haq h ARG 60 CO -0.00 0.07 -0.09 1.96 -1.51 0.00 0.00 179.97 180.39 2haq h GLN 61 N 0.11 0.00 0.00 0.20 4.20 -1.16 -2.11 115.11 116.34 2haq h GLN 61 Ca 0.10 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 2haq h GLN 61 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2haq h GLN 61 CO -0.15 0.09 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.52 2haq h LEU 62 N 0.00 0.00 -0.12 1.46 3.38 -0.87 -1.17 115.31 117.98 2haq h LEU 62 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2haq h LEU 62 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2haq h LEU 62 CO 0.01 0.51 -0.91 0.00 0.09 0.00 0.00 178.44 178.14 2haq h THR 64 N 0.40 1.63 -0.43 0.00 1.35 -1.39 -2.75 112.91 111.72 2haq h THR 64 Ca -0.09 -3.26 -0.07 0.00 -0.55 0.00 0.00 66.41 62.44 2haq h THR 64 Cb 1.55 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 70.74 2haq h THR 64 CO 0.18 0.92 -0.09 0.61 -0.25 0.00 0.00 175.52 176.89 2haq n GLY 65 N 1.29 0.32 0.36 5.82 0.00 -0.45 -4.94 105.19 107.59 2haq n GLY 65 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.30 2haq n GLY 65 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2haq h GLU 66 N 0.00 0.90 -0.06 1.61 5.08 -1.78 -2.48 114.58 117.84 2haq h GLU 66 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2haq h GLU 66 Cb 0.87 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2haq h GLU 66 CO 0.10 0.59 0.00 0.72 -1.00 0.00 0.00 179.01 179.43 2haq n HIS 67 N -4.52 0.07 0.00 4.33 8.25 -1.26 -4.89 115.22 117.20 2haq n HIS 67 Ca 0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2haq n HIS 67 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2haq n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2haq n GLY 68 N 1.07 0.34 3.15 -1.41 0.00 -0.93 -5.06 105.19 102.34 2haq n GLY 68 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2haq n GLY 68 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2haq s PHE 69 N -2.00 0.36 -2.28 1.61 -0.12 -1.26 -5.10 117.98 109.19 2haq s PHE 69 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 2haq s PHE 69 Cb 0.00 -0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.15 2haq s PHE 69 CO 0.00 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.12 2haq n GLY 70 N 0.02 -0.93 0.19 1.99 0.00 -1.26 -4.34 105.19 100.86 2haq n GLY 70 Ca -0.14 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.03 2haq n GLY 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2haq h TYR 71 N 0.00 0.00 -1.98 1.61 0.99 -1.58 -3.45 116.97 112.57 2haq h TYR 71 Ca 0.00 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 2haq h TYR 71 Cb 0.00 0.00 0.06 0.00 1.00 0.00 0.00 36.73 37.79 2haq h TYR 71 CO 0.00 0.32 0.63 1.17 -0.00 0.00 0.00 178.16 180.28 2haq n LYS 72 N -3.32 1.65 -1.26 4.88 4.81 -1.26 -0.93 118.16 122.74 2haq n LYS 72 Ca 0.01 0.60 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 2haq n LYS 72 Cb 0.55 -2.30 -0.04 0.00 0.02 0.00 0.00 35.03 33.26 2haq n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2haq n ASP 73 N 3.01 -4.23 -5.02 3.14 10.43 0.19 -5.02 116.55 119.05 2haq n ASP 73 Ca 0.18 0.22 -0.20 0.00 2.57 0.00 0.00 54.79 57.56 2haq n ASP 73 Cb 0.24 -2.50 0.05 0.00 1.84 0.00 0.00 41.12 40.75 2haq n ASP 73 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2haq s SER 74 N -2.79 5.11 0.30 -2.24 1.04 -0.10 -4.86 113.70 110.16 2haq s SER 74 Ca 0.00 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2haq s SER 74 Cb 0.00 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 2haq s SER 74 CO 0.00 -1.28 0.07 0.27 0.98 0.00 0.00 173.24 173.28 2haq s ILE 75 N -2.65 0.99 -0.66 -1.02 -4.36 -1.26 -1.03 121.20 111.21 2haq s ILE 75 Ca 0.59 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.79 2haq s ILE 75 Cb -0.06 -2.72 0.11 0.00 1.25 0.00 0.00 42.46 41.04 2haq s ILE 75 CO 0.37 -0.02 0.79 -0.36 0.24 0.00 0.00 174.94 175.97 2haq s PHE 76 N -3.45 3.02 -0.65 1.37 0.08 -0.66 -3.98 117.98 113.72 2haq s PHE 76 Ca 0.37 -1.03 0.26 0.00 0.12 0.00 0.00 56.93 56.64 2haq s PHE 76 Cb 0.08 -4.07 0.83 0.00 -0.57 0.00 0.00 43.02 39.29 2haq s PHE 76 CO 0.15 -1.35 1.76 1.12 -0.10 0.00 0.00 175.22 176.80 2haq h HIS 77 N 9.10 0.00 -3.57 0.36 2.07 -1.69 -3.42 115.15 118.00 2haq h HIS 77 Ca -0.21 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 56.98 2haq h HIS 77 Cb 1.07 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 30.73 2haq h HIS 77 CO 0.91 0.00 -0.74 0.50 -3.07 0.00 0.00 177.93 175.52 2haq s ARG 78 N -3.16 0.26 -0.10 5.12 3.52 -1.16 -4.34 118.95 119.09 2haq s ARG 78 Ca 0.09 0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2haq s ARG 78 Cb 0.11 -0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2haq s ARG 78 CO 0.56 -0.09 -0.01 0.08 -0.81 0.00 0.00 175.30 175.03 2haq s VAL 79 N 0.78 0.54 -0.30 7.11 1.01 -0.43 -0.15 120.40 128.96 2haq s VAL 79 Ca -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2haq s VAL 79 Cb -0.11 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.63 2haq s VAL 79 CO -0.01 0.21 -0.02 -0.63 0.00 0.00 0.00 175.10 174.64 2haq s ILE 80 N 1.90 2.12 0.22 2.22 1.01 -0.02 -4.76 121.20 123.89 2haq s ILE 80 Ca 0.04 -1.92 -0.31 0.00 0.00 0.00 0.00 60.65 58.46 2haq s ILE 80 Cb -0.13 -2.40 -0.15 0.00 0.01 0.00 0.00 42.46 39.79 2haq s ILE 80 CO -0.06 -0.32 1.15 0.00 0.00 0.00 0.00 174.94 175.71 2haq n GLN 81 N 4.38 1.36 -2.10 2.79 -0.00 -1.26 -1.63 117.38 120.92 2haq n GLN 81 Ca -0.05 0.48 -0.15 0.00 -0.00 0.00 0.00 57.00 57.29 2haq n GLN 81 Cb 0.42 -1.96 -0.02 0.00 -0.00 0.00 0.00 30.24 28.68 2haq n GLN 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2haq n ASN 82 N 1.79 -4.49 0.01 2.61 3.02 -1.26 -4.78 115.26 112.16 2haq n ASN 82 Ca 0.13 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2haq n ASN 82 Cb 0.28 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 2haq n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2haq n PHE 83 N -3.72 -1.23 -3.66 3.10 7.35 -0.65 -4.65 117.46 114.00 2haq n PHE 83 Ca -0.17 0.07 0.01 0.00 -0.76 0.00 0.00 57.45 56.60 2haq n PHE 83 Cb 0.60 0.61 -0.00 0.00 0.35 0.00 0.00 39.48 41.03 2haq n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2haq s MET 84 N -1.07 0.47 0.04 -4.13 0.23 -0.73 -1.61 119.30 112.51 2haq s MET 84 Ca 0.00 -0.27 0.08 0.00 -1.03 0.00 0.00 55.69 54.47 2haq s MET 84 Cb 0.00 0.16 -0.03 0.00 -1.53 0.00 0.00 34.83 33.43 2haq s MET 84 CO 0.00 -0.22 -0.23 0.96 -2.03 0.00 0.00 175.02 173.51 2haq s ILE 85 N -2.45 1.83 -0.00 3.16 -4.36 -0.91 -0.84 121.20 117.62 2haq s ILE 85 Ca 0.15 -1.24 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 2haq s ILE 85 Cb 0.04 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.16 2haq s ILE 85 CO -0.03 0.28 -0.15 -1.58 0.24 0.00 0.00 174.94 173.70 2haq s GLN 86 N -1.15 1.18 0.00 0.37 0.74 0.79 -1.15 119.66 120.44 2haq s GLN 86 Ca 0.09 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.94 2haq s GLN 86 Cb -0.09 -1.15 0.00 0.00 1.10 0.00 0.00 33.01 32.87 2haq s GLN 86 CO 0.02 0.31 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 2haq n GLY 87 N 2.61 3.91 0.22 2.59 0.00 -0.68 -1.82 105.19 112.02 2haq n GLY 87 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2haq n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2haq n GLY 88 N 0.00 0.32 3.45 -0.02 0.00 -1.26 -1.87 105.19 105.81 2haq n GLY 88 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2haq n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2haq s ASP 89 N -2.41 7.05 0.00 1.61 -1.08 -1.26 -4.05 116.67 116.53 2haq s ASP 89 Ca 0.00 -2.96 0.15 0.00 -0.52 0.00 0.00 52.55 49.22 2haq s ASP 89 Cb 0.00 -2.38 0.65 0.00 -1.46 0.00 0.00 42.92 39.73 2haq s ASP 89 CO 0.00 -0.73 1.45 2.22 0.52 0.00 0.00 175.17 178.63 2haq n PHE 90 N 5.41 0.16 -0.09 -5.34 1.16 -1.26 -2.08 117.46 115.42 2haq n PHE 90 Ca 0.34 -0.08 -0.14 0.00 -1.87 0.00 0.00 57.45 55.70 2haq n PHE 90 Cb 0.43 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.23 2haq n PHE 90 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2haq n THR 91 N -0.13 0.96 0.30 1.97 -2.24 -1.26 -4.80 114.28 109.07 2haq n THR 91 Ca 0.12 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2haq n THR 91 Cb 0.18 -1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.05 2haq n THR 91 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2haq n ASN 92 N -3.27 0.91 -1.66 3.42 5.03 -1.26 -4.98 115.26 113.45 2haq n ASN 92 Ca -0.31 -0.55 -0.16 0.00 0.87 0.00 0.00 54.58 54.42 2haq n ASN 92 Cb 0.79 1.07 -0.06 0.00 -1.02 0.00 0.00 39.78 40.57 2haq n ASN 92 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2haq n PHE 93 N -1.30 -0.45 -0.84 3.10 3.01 -0.89 -4.74 117.46 115.35 2haq n PHE 93 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2haq n PHE 93 Cb 0.14 -2.98 0.00 0.00 -0.01 0.00 0.00 39.48 36.63 2haq n PHE 93 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2haq n ASP 94 N -1.04 0.19 0.00 4.37 3.85 -1.26 -4.89 116.55 117.76 2haq n ASP 94 Ca -0.17 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.89 2haq n ASP 94 Cb 0.55 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 2haq n ASP 94 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2haq n GLY 95 N -0.01 0.44 0.00 6.12 0.00 -1.26 -4.94 105.19 105.53 2haq n GLY 95 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2haq n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2haq n THR 96 N -1.90 0.00 -1.80 2.61 -2.24 -1.26 -5.02 114.28 104.67 2haq n THR 96 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2haq n THR 96 Cb 0.00 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2haq n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2haq n GLY 97 N 1.49 4.38 0.00 3.38 0.00 -1.26 -5.00 105.19 108.18 2haq n GLY 97 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2haq n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2haq n GLY 98 N 5.00 2.04 3.54 -0.02 0.00 -1.26 -4.75 105.19 109.74 2haq n GLY 98 Ca 0.00 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 2haq n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2haq s LYS 99 N -2.87 0.96 0.82 1.61 -2.85 -1.26 -4.71 119.74 111.43 2haq s LYS 99 Ca 0.00 0.49 -0.09 0.00 -1.00 0.00 0.00 55.97 55.37 2haq s LYS 99 Cb 0.00 0.46 0.14 0.00 -2.06 0.00 0.00 37.83 36.37 2haq s LYS 99 CO 0.00 -0.24 1.14 -1.54 0.10 0.00 0.00 175.35 174.81 2haq s SER 100 N -0.65 3.94 0.07 0.03 1.04 -0.22 -4.30 113.70 113.61 2haq s SER 100 Ca -0.07 0.13 0.28 0.00 0.48 0.00 0.00 55.95 56.76 2haq s SER 100 Cb -0.02 -0.43 1.10 0.00 0.10 0.00 0.00 66.02 66.76 2haq s SER 100 CO 0.07 -2.17 1.87 2.30 0.98 0.00 0.00 173.24 176.29 2haq n ILE 101 N -3.26 0.21 1.03 -1.02 -5.35 -1.26 -3.04 119.36 106.66 2haq n ILE 101 Ca 0.13 -0.09 0.11 0.00 -0.27 0.00 0.00 62.75 62.64 2haq n ILE 101 Cb 0.60 -0.54 0.07 0.00 -1.74 0.00 0.00 39.64 38.03 2haq n ILE 101 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2haq n TYR 102 N -1.74 0.00 0.00 4.28 4.01 -1.26 -5.06 117.16 117.38 2haq n TYR 102 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2haq n TYR 102 Cb 0.37 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 2haq n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2haq n GLY 103 N 1.46 0.50 0.12 2.72 0.00 -1.17 -4.90 105.19 103.93 2haq n GLY 103 Ca 0.06 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 2haq n GLY 103 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2haq h GLU 104 N 0.00 0.35 -2.99 1.61 4.81 -1.94 -0.55 114.58 115.87 2haq h GLU 104 Ca 0.00 -0.59 -0.12 0.00 -0.13 0.00 0.00 59.36 58.52 2haq h GLU 104 Cb 0.00 0.22 -0.20 0.00 0.63 0.00 0.00 28.75 29.40 2haq h GLU 104 CO 0.00 1.26 -0.26 0.15 -0.73 0.00 0.00 179.01 179.43 2haq s LYS 105 N -2.62 0.68 0.09 1.92 -0.14 -1.26 -4.24 119.74 114.17 2haq s LYS 105 Ca -0.08 -0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.39 2haq s LYS 105 Cb 0.06 0.30 -0.04 0.00 -1.68 0.00 0.00 37.83 36.47 2haq s LYS 105 CO 0.89 -0.19 -0.07 -0.59 -0.76 0.00 0.00 175.35 174.63 2haq s PHE 106 N -1.30 0.85 0.84 3.18 -0.71 -0.82 -4.93 117.98 115.10 2haq s PHE 106 Ca -0.13 -0.83 -0.11 0.00 -1.04 0.00 0.00 56.93 54.82 2haq s PHE 106 Cb -0.05 -0.50 0.10 0.00 -1.21 0.00 0.00 43.02 41.37 2haq s PHE 106 CO 0.04 -0.14 1.10 0.00 -1.34 0.00 0.00 175.22 174.89 2haq s ALA 107 N -3.19 1.83 -0.07 1.99 0.00 -1.26 -2.70 121.76 118.36 2haq s ALA 107 Ca 0.08 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2haq s ALA 107 Cb 0.02 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2haq s ALA 107 CO -0.04 -2.18 1.19 -0.51 0.00 0.00 0.00 175.76 174.22 2haq s ASP 108 N -3.22 7.05 -0.13 0.00 1.01 -1.26 -4.88 116.67 115.24 2haq s ASP 108 Ca 0.63 1.77 -0.09 0.00 0.71 0.00 0.00 52.55 55.57 2haq s ASP 108 Cb -0.19 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 2haq s ASP 108 CO 0.57 -0.60 0.02 -0.33 0.21 0.00 0.00 175.17 175.05 2haq h GLU 109 N 7.52 0.00 -3.58 8.23 5.08 -1.95 -3.47 114.58 126.41 2haq h GLU 109 Ca -0.33 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.55 2haq h GLU 109 Cb 1.15 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.01 2haq h GLU 109 CO 0.89 0.21 -0.76 1.21 -1.00 0.00 0.00 179.01 179.55 2haq s ASN 110 N -5.83 2.32 0.00 1.42 2.47 -1.26 -5.00 114.94 109.07 2haq s ASN 110 Ca -0.11 -0.50 0.17 0.00 0.42 0.00 0.00 52.86 52.84 2haq s ASN 110 Cb 0.01 -0.51 0.38 0.00 -1.45 0.00 0.00 41.25 39.68 2haq s ASN 110 CO 0.22 -0.26 1.30 0.18 -3.72 0.00 0.00 177.10 174.82 2haq n LEU 111 N 5.11 3.16 -0.08 3.21 4.77 -1.26 -4.31 117.00 127.60 2haq n LEU 111 Ca -0.08 -1.69 0.12 0.00 -0.03 0.00 0.00 56.01 54.33 2haq n LEU 111 Cb 0.48 -0.25 0.26 0.00 -2.33 0.00 0.00 43.42 41.58 2haq n LEU 111 CO 0.12 0.73 0.48 0.59 -1.33 0.00 0.00 177.39 177.98 2haq n ASN 112 N 1.07 0.70 -4.63 -1.43 5.03 -1.26 -3.67 115.26 111.07 2haq n ASN 112 Ca 0.16 -0.49 -0.41 0.00 0.87 0.00 0.00 54.58 54.70 2haq n ASN 112 Cb 0.50 0.26 -0.06 0.00 -1.02 0.00 0.00 39.78 39.47 2haq n ASN 112 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2haq s VAL 113 N -2.85 4.92 0.48 2.41 1.01 -1.26 -5.01 120.40 120.10 2haq s VAL 113 Ca 0.15 1.24 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 2haq s VAL 113 Cb 0.18 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2haq s VAL 113 CO 0.66 -0.05 0.87 -1.59 0.00 0.00 0.00 175.10 174.99 2haq s LYS 114 N 2.66 3.74 0.72 2.72 -2.85 -1.26 -4.58 119.74 120.89 2haq s LYS 114 Ca 0.29 0.58 -0.11 0.00 -1.00 0.00 0.00 55.97 55.73 2haq s LYS 114 Cb -0.15 -2.28 0.02 0.00 -2.06 0.00 0.00 37.83 33.36 2haq s LYS 114 CO 0.09 -0.21 1.07 -1.01 0.10 0.00 0.00 175.35 175.39 2haq s HIS 115 N -2.64 2.91 0.22 1.78 3.76 -1.26 -5.02 115.29 115.04 2haq s HIS 115 Ca 0.53 1.47 -0.17 0.00 -0.15 0.00 0.00 55.06 56.74 2haq s HIS 115 Cb -0.10 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.66 2haq s HIS 115 CO 0.38 -1.43 0.56 -0.59 -0.85 0.00 0.00 174.74 172.80 2haq s PHE 116 N -2.95 -0.04 0.05 1.40 -0.12 -1.26 -4.80 117.98 110.26 2haq s PHE 116 Ca 0.60 -0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.85 2haq s PHE 116 Cb -0.15 0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 42.58 2haq s PHE 116 CO 0.54 -1.00 1.67 0.08 -0.05 0.00 0.00 175.22 176.47 2haq s VAL 117 N -3.91 3.10 0.00 -2.49 1.01 -1.26 -1.98 120.40 114.88 2haq s VAL 117 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2haq s VAL 117 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2haq s VAL 117 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2haq n GLY 118 N 4.05 0.70 3.79 4.51 0.00 0.58 -4.96 105.19 113.87 2haq n GLY 118 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2haq n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2haq s ALA 119 N -2.18 3.03 -0.24 4.61 0.00 -0.84 -0.89 121.76 125.26 2haq s ALA 119 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 2haq s ALA 119 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2haq s ALA 119 CO 0.00 -0.13 0.13 -0.51 0.00 0.00 0.00 175.76 175.25 2haq s LEU 120 N -2.93 3.96 0.04 0.00 2.01 -0.16 -1.85 118.68 119.75 2haq s LEU 120 Ca 0.61 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.81 2haq s LEU 120 Cb -0.17 -2.06 -0.02 0.00 0.01 0.00 0.00 46.19 43.95 2haq s LEU 120 CO 0.22 0.06 -0.07 -0.55 1.01 0.00 0.00 176.35 177.02 2haq s SER 121 N 1.10 0.71 -0.12 2.29 0.15 -0.65 -1.31 113.70 115.87 2haq s SER 121 Ca 0.06 -0.53 -0.26 0.00 0.70 0.00 0.00 55.95 55.92 2haq s SER 121 Cb -0.14 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 2haq s SER 121 CO 0.04 -0.22 0.86 -0.04 1.20 0.00 0.00 173.24 175.09 2haq s MET 122 N -1.52 4.38 0.64 5.44 -1.94 -0.62 -0.46 119.30 125.21 2haq s MET 122 Ca -0.11 1.12 -0.13 0.00 -1.71 0.00 0.00 55.69 54.86 2haq s MET 122 Cb -0.10 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 2haq s MET 122 CO 0.00 -0.23 1.05 0.00 -0.01 0.00 0.00 175.02 175.84 2haq s ALA 123 N 1.76 2.74 0.35 3.03 0.00 -0.51 -4.35 121.76 124.78 2haq s ALA 123 Ca 0.42 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 2haq s ALA 123 Cb -0.18 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2haq s ALA 123 CO 0.16 -0.98 0.81 0.54 0.00 0.00 0.00 175.76 176.30 2haq s ASN 124 N -3.34 -0.02 -0.39 0.00 2.20 -1.26 -4.51 114.94 107.61 2haq s ASN 124 Ca 0.60 -1.04 0.09 0.00 -0.94 0.00 0.00 52.86 51.57 2haq s ASN 124 Cb -0.14 0.80 0.44 0.00 -2.00 0.00 0.00 41.25 40.34 2haq s ASN 124 CO 0.46 -1.58 1.07 0.00 -2.94 0.00 0.00 177.10 174.11 2haq n ALA 125 N -0.54 4.54 0.00 3.54 0.00 -1.26 -5.07 120.51 121.72 2haq n ALA 125 Ca -0.07 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.45 2haq n ALA 125 Cb 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2haq n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2haq n GLY 126 N -0.39 -0.46 3.77 0.00 0.00 -1.26 -4.93 105.19 101.93 2haq n GLY 126 Ca 0.30 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 2haq n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2haq s PRO 127 N -0.74 4.07 -1.35 1.61 0.04 -1.26 -3.58 135.00 133.78 2haq s PRO 127 Ca 0.00 2.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 2haq s PRO 127 Cb 0.00 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.64 2haq s PRO 127 CO 0.00 -0.48 0.58 0.09 0.04 0.00 0.00 177.00 177.22 2haq n ASN 128 N 0.36 -0.77 -1.31 6.66 3.02 -1.26 -4.91 115.26 117.05 2haq n ASN 128 Ca 0.02 -0.90 0.03 0.00 -0.03 0.00 0.00 54.58 53.70 2haq n ASN 128 Cb 0.41 -3.62 0.09 0.00 -0.61 0.00 0.00 39.78 36.05 2haq n ASN 128 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2haq n THR 129 N -4.33 0.97 -2.23 3.41 -2.24 -1.24 -4.50 114.28 104.13 2haq n THR 129 Ca -0.31 -2.06 -0.41 0.00 -2.27 0.00 0.00 64.05 59.00 2haq n THR 129 Cb 0.68 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 2haq n THR 129 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2haq s ASN 130 N -2.63 6.91 0.00 3.42 0.01 -1.10 -4.34 114.94 117.22 2haq s ASN 130 Ca 0.36 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 2haq s ASN 130 Cb 0.38 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.42 2haq s ASN 130 CO -0.12 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 175.59 2haq n GLY 131 N 2.02 1.63 0.00 0.66 0.00 -1.26 -1.94 105.19 106.29 2haq n GLY 131 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2haq n GLY 131 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2haq n SER 132 N 0.00 0.97 -4.77 1.61 3.41 -1.26 -3.97 113.62 109.61 2haq n SER 132 Ca 0.00 -0.22 -0.39 0.00 -0.26 0.00 0.00 58.87 58.01 2haq n SER 132 Cb 0.00 0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2haq n SER 132 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2haq s GLN 133 N -0.82 4.47 0.16 4.33 -0.21 -1.26 -4.52 119.66 121.81 2haq s GLN 133 Ca 0.00 1.63 -0.09 0.00 0.02 0.00 0.00 55.36 56.92 2haq s GLN 133 Cb 0.00 -2.92 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 2haq s GLN 133 CO 0.00 0.11 0.28 -0.59 -2.12 0.00 0.00 175.29 172.97 2haq s PHE 134 N -1.39 0.37 0.16 0.91 -0.71 -0.78 -1.43 117.98 115.11 2haq s PHE 134 Ca 0.50 -0.74 0.06 0.00 -1.04 0.00 0.00 56.93 55.70 2haq s PHE 134 Cb -0.27 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2haq s PHE 134 CO 0.34 -0.71 -0.12 -0.59 -1.34 0.00 0.00 175.22 172.80 2haq s PHE 135 N -3.96 1.41 -0.22 3.49 -0.71 0.39 -1.68 117.98 116.70 2haq s PHE 135 Ca 0.16 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 2haq s PHE 135 Cb 0.03 -0.70 0.03 0.00 -1.21 0.00 0.00 43.02 41.17 2haq s PHE 135 CO -0.01 0.17 -0.13 0.42 -1.34 0.00 0.00 175.22 174.33 2haq s ILE 136 N -2.96 2.39 0.25 -4.49 1.01 -0.30 -1.63 121.20 115.48 2haq s ILE 136 Ca 0.16 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 2haq s ILE 136 Cb -0.00 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 2haq s ILE 136 CO 0.03 0.33 0.89 0.42 0.00 0.00 0.00 174.94 176.61 2haq s THR 137 N 1.28 4.22 -0.59 2.92 -4.23 -0.77 -2.14 115.64 116.32 2haq s THR 137 Ca 0.01 1.86 0.05 0.00 -1.18 0.00 0.00 61.69 62.43 2haq s THR 137 Cb -0.15 -4.15 0.09 0.00 1.34 0.00 0.00 72.50 69.63 2haq s THR 137 CO -0.08 0.36 0.87 0.35 -0.54 0.00 0.00 174.62 175.57 2haq n THR 138 N 1.13 0.42 -3.89 3.99 -2.24 -0.63 -0.31 114.28 112.76 2haq n THR 138 Ca -0.01 -0.71 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 2haq n THR 138 Cb 0.49 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 2haq n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2haq s ALA 139 N -0.69 -0.74 0.27 6.98 0.00 -1.24 -4.77 121.76 121.57 2haq s ALA 139 Ca 0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2haq s ALA 139 Cb 0.05 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.93 2haq s ALA 139 CO 0.07 -0.97 1.38 -2.14 0.00 0.00 0.00 175.76 174.11 2haq s PRO 140 N -3.39 4.30 -0.43 0.00 0.02 -1.26 -4.45 135.00 129.80 2haq s PRO 140 Ca 0.16 2.25 0.09 0.00 0.02 0.00 0.00 61.00 63.53 2haq s PRO 140 Cb -0.04 -3.10 0.31 0.00 0.02 0.00 0.00 34.50 31.69 2haq s PRO 140 CO 0.10 -0.33 0.71 0.25 -0.33 0.00 0.00 177.00 177.40 2haq n THR 141 N 1.81 0.44 0.06 0.99 -2.24 -1.26 -4.95 114.28 109.13 2haq n THR 141 Ca 0.04 -4.66 0.17 0.00 -2.27 0.00 0.00 64.05 57.34 2haq n THR 141 Cb 0.41 -1.03 0.68 0.00 -2.10 0.00 0.00 70.33 68.29 2haq n THR 141 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2haq h PRO 142 N 3.35 0.00 0.00 -0.78 0.13 -1.92 -1.77 132.00 131.00 2haq h PRO 142 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2haq h PRO 142 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2haq h PRO 142 CO 0.57 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.67 2haq n TRP 143 N -4.41 0.00 0.03 1.56 2.14 -1.26 -1.86 117.44 113.65 2haq n TRP 143 Ca 0.07 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.70 2haq n TRP 143 Cb 0.49 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.89 2haq n TRP 143 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2haq n LEU 144 N -0.87 0.04 -4.70 5.67 4.77 -0.67 -4.96 117.00 116.28 2haq n LEU 144 Ca 0.11 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 2haq n LEU 144 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2haq n LEU 144 CO 0.08 0.01 1.01 0.47 -1.33 0.00 0.00 177.39 177.63 2haq n ASP 145 N -1.91 2.96 0.00 -1.43 8.00 -0.77 -1.91 116.55 121.50 2haq n ASP 145 Ca -0.02 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2haq n ASP 145 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 2haq n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2haq n GLY 146 N 1.52 2.74 0.00 0.44 0.00 -1.24 -4.78 105.19 103.87 2haq n GLY 146 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2haq n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2haq n ARG 147 N -2.00 4.05 -4.53 1.61 1.74 -0.80 -4.90 116.66 111.83 2haq n ARG 147 Ca 0.00 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.85 2haq n ARG 147 Cb 0.00 -0.80 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 2haq n ARG 147 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2haq s HIS 148 N -1.63 1.17 -0.28 -1.55 3.76 -1.13 -4.95 115.29 110.67 2haq s HIS 148 Ca 0.01 -0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 2haq s HIS 148 Cb 0.03 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.92 2haq s HIS 148 CO 0.16 -0.10 1.17 0.08 -0.85 0.00 0.00 174.74 175.20 2haq s VAL 149 N 0.07 4.38 -0.16 -0.90 1.01 -1.26 -4.86 120.40 118.67 2haq s VAL 149 Ca -0.02 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 2haq s VAL 149 Cb -0.09 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2haq s VAL 149 CO 0.01 -0.40 0.71 -0.69 0.00 0.00 0.00 175.10 174.73 2haq s VAL 150 N 3.80 4.98 0.00 2.92 1.01 -1.26 -1.60 120.40 130.25 2haq s VAL 150 Ca 0.50 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2haq s VAL 150 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2haq s VAL 150 CO 0.17 0.11 0.57 2.22 0.00 0.00 0.00 175.10 178.16 2haq n PHE 151 N 4.88 0.00 -3.90 5.22 -1.74 -0.43 -4.93 117.46 116.57 2haq n PHE 151 Ca 0.01 -0.16 0.01 0.00 -0.56 0.00 0.00 57.45 56.74 2haq n PHE 151 Cb 0.50 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.48 2haq n PHE 151 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2haq n GLY 152 N -0.16 0.52 3.44 4.97 0.00 -1.21 -1.09 105.19 111.65 2haq n GLY 152 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2haq n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2haq s LYS 153 N -2.00 1.12 -0.13 1.61 -2.85 -0.30 -0.99 119.74 116.21 2haq s LYS 153 Ca 0.05 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 2haq s LYS 153 Cb -0.00 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2haq s LYS 153 CO -0.00 -0.42 1.37 0.08 0.10 0.00 0.00 175.35 176.48 2haq s VAL 154 N -2.51 4.07 -0.11 1.79 1.01 -0.07 -0.46 120.40 124.13 2haq s VAL 154 Ca -0.05 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.29 2haq s VAL 154 Cb -0.01 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.29 2haq s VAL 154 CO -0.02 -0.11 0.41 0.18 0.00 0.00 0.00 175.10 175.57 2haq n LEU 155 N 6.65 1.57 -3.72 3.92 4.77 0.13 -4.91 117.00 125.41 2haq n LEU 155 Ca 0.15 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2haq n LEU 155 Cb 0.44 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2haq n LEU 155 CO 0.58 0.61 0.08 -0.62 -1.33 0.00 0.00 177.39 176.71 2haq s ASP 156 N -6.39 -0.21 0.00 -1.43 2.15 -1.08 -4.92 116.67 104.79 2haq s ASP 156 Ca -0.14 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.83 2haq s ASP 156 Cb 0.07 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 2haq s ASP 156 CO 0.79 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 2haq n GLY 157 N 0.79 0.74 0.24 2.66 0.00 -1.26 -0.68 105.19 107.69 2haq n GLY 157 Ca -0.20 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.28 2haq n GLY 157 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2haq h MET 158 N 0.00 0.00 -0.15 1.61 -1.53 -1.91 -1.25 114.93 111.69 2haq h MET 158 Ca 0.00 0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.20 2haq h MET 158 Cb 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 2haq h MET 158 CO 0.00 0.14 -0.17 0.38 0.14 0.00 0.00 176.91 177.40 2haq h ASP 159 N 0.00 0.24 -0.52 1.39 2.03 -1.97 -0.41 116.42 117.18 2haq h ASP 159 Ca -0.00 -0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.13 2haq h ASP 159 Cb 0.29 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2haq h ASP 159 CO 0.02 0.43 -0.11 0.58 -1.03 0.00 0.00 179.24 179.14 2haq h VAL 160 N 0.24 1.27 -0.34 4.15 2.07 -1.54 -1.29 116.25 120.79 2haq h VAL 160 Ca 0.04 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2haq h VAL 160 Cb 0.45 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2haq h VAL 160 CO 0.03 0.44 0.16 0.58 0.02 0.00 0.00 177.57 178.80 2haq h VAL 161 N 0.87 1.16 0.00 2.57 2.07 -1.22 -1.98 116.25 119.73 2haq h VAL 161 Ca 0.14 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2haq h VAL 161 Cb 0.67 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2haq h VAL 161 CO 0.05 0.17 -0.22 -0.07 0.02 0.00 0.00 177.57 177.52 2haq h LEU 162 N 0.42 0.00 -0.26 2.57 3.38 -0.90 -1.58 115.31 118.94 2haq h LEU 162 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2haq h LEU 162 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2haq h LEU 162 CO -0.01 0.22 -0.43 -0.09 0.09 0.00 0.00 178.44 178.22 2haq h ARG 163 N 0.00 0.74 -0.82 1.13 9.65 -0.89 -3.13 114.38 121.07 2haq h ARG 163 Ca -0.00 -0.46 -0.04 0.00 -1.10 0.00 0.00 59.98 58.39 2haq h ARG 163 Cb 0.39 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 2haq h ARG 163 CO 0.03 1.08 0.37 0.82 2.80 0.00 0.00 179.97 185.07 2haq h ILE 164 N 0.48 1.26 -0.17 1.20 2.04 -0.93 -2.39 117.51 119.00 2haq h ILE 164 Ca 0.02 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.17 2haq h ILE 164 Cb 1.02 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2haq h ILE 164 CO 0.10 0.32 0.13 -0.08 0.00 0.00 0.00 178.15 178.62 2haq h GLU 165 N 1.17 0.00 -0.01 2.37 4.81 -1.25 -1.31 114.58 120.37 2haq h GLU 165 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2haq h GLU 165 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2haq h GLU 165 CO -0.03 0.00 -0.23 1.63 -0.73 0.00 0.00 179.01 179.65 2haq n LYS 166 N -4.25 0.89 -1.79 1.92 4.76 -0.91 -4.36 118.16 114.43 2haq n LYS 166 Ca 0.01 -0.51 -0.38 0.00 -2.87 0.00 0.00 58.31 54.55 2haq n LYS 166 Cb 0.26 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 2haq n LYS 166 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2haq s THR 167 N -2.47 2.08 0.07 -0.18 -1.32 -0.50 -4.88 115.64 108.44 2haq s THR 167 Ca 0.25 0.06 -0.31 0.00 -1.21 0.00 0.00 61.69 60.49 2haq s THR 167 Cb 0.19 -3.03 -0.08 0.00 -1.51 0.00 0.00 72.50 68.07 2haq s THR 167 CO 0.50 0.00 1.63 -0.75 -2.21 0.00 0.00 174.62 173.80 2haq s LYS 168 N -2.86 4.20 0.52 7.08 2.20 -1.26 -4.94 119.74 124.68 2haq s LYS 168 Ca 0.70 2.31 0.04 0.00 -0.36 0.00 0.00 55.97 58.66 2haq s LYS 168 Cb -0.41 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2haq s LYS 168 CO 0.49 -0.72 0.25 0.95 -0.36 0.00 0.00 175.35 175.95 2haq s THR 169 N 2.58 1.51 0.00 3.43 -4.23 -1.26 -0.97 115.64 116.70 2haq s THR 169 Ca 0.73 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2haq s THR 169 Cb -0.39 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2haq s THR 169 CO 0.32 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 171.20 2haq n ASN 170 N -1.55 0.00 -4.77 3.99 4.05 -1.15 -4.78 115.26 111.03 2haq n ASN 170 Ca -0.08 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.61 2haq n ASN 170 Cb 0.65 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.69 2haq n ASN 170 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2haq s SER 171 N 1.06 5.41 -0.56 1.20 1.04 -1.26 -3.33 113.70 117.27 2haq s SER 171 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2haq s SER 171 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2haq s SER 171 CO 0.00 -1.42 0.00 1.41 0.98 0.00 0.00 173.24 174.21 2haq n HIS 172 N -1.92 -0.02 -2.51 5.02 8.25 -1.26 -2.83 115.22 119.94 2haq n HIS 172 Ca 0.11 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.38 2haq n HIS 172 Cb 0.52 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.38 2haq n HIS 172 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2haq n ASP 173 N -0.79 -5.39 -4.61 0.41 8.00 -1.21 -4.89 116.55 108.07 2haq n ASP 173 Ca -0.05 -0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.02 2haq n ASP 173 Cb 0.50 -4.39 -0.10 0.00 -0.02 0.00 0.00 41.12 37.11 2haq n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2haq s ARG 174 N -5.09 3.56 0.22 -1.24 1.70 -1.13 -1.32 118.95 115.64 2haq s ARG 174 Ca 0.08 -0.42 -0.31 0.00 -0.47 0.00 0.00 55.73 54.61 2haq s ARG 174 Cb -0.03 -2.98 -0.15 0.00 -0.57 0.00 0.00 34.95 31.22 2haq s ARG 174 CO 0.09 0.41 1.21 -2.30 -1.08 0.00 0.00 175.30 173.64 2haq n PRO 175 N 3.06 1.49 -0.11 3.89 -0.02 -1.26 -2.96 135.00 139.09 2haq n PRO 175 Ca -0.18 0.53 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 2haq n PRO 175 Cb 0.53 -2.05 0.16 0.00 -0.02 0.00 0.00 33.50 32.11 2haq n PRO 175 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2haq h VAL 176 N 2.66 1.24 -3.42 -1.45 2.07 -1.36 -3.40 116.25 112.59 2haq h VAL 176 Ca -0.43 -1.00 -0.66 0.00 0.82 0.00 0.00 66.70 65.43 2haq h VAL 176 Cb 1.32 0.88 -0.19 0.00 -1.52 0.00 0.00 31.29 31.78 2haq h VAL 176 CO 0.70 0.35 -0.67 -0.54 0.02 0.00 0.00 177.57 177.43 2haq s LYS 177 N -4.98 3.24 0.23 1.57 -0.14 -1.26 -5.07 119.74 113.33 2haq s LYS 177 Ca -0.09 -0.51 -0.31 0.00 -1.36 0.00 0.00 55.97 53.70 2haq s LYS 177 Cb 0.15 -2.79 -0.11 0.00 -1.68 0.00 0.00 37.83 33.40 2haq s LYS 177 CO 0.81 0.47 1.65 -2.14 -0.76 0.00 0.00 175.35 175.37 2haq s PRO 178 N -0.26 4.14 -0.53 -1.68 0.02 -1.26 -4.94 135.00 130.49 2haq s PRO 178 Ca 0.04 2.55 -0.18 0.00 0.02 0.00 0.00 61.00 63.43 2haq s PRO 178 Cb -0.13 -3.07 0.08 0.00 0.02 0.00 0.00 34.50 31.41 2haq s PRO 178 CO 0.02 -0.68 0.60 0.08 -0.33 0.00 0.00 177.00 176.69 2haq s VAL 179 N 0.74 4.95 -0.11 3.83 1.01 -1.26 -4.14 120.40 125.42 2haq s VAL 179 Ca 0.70 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2haq s VAL 179 Cb -0.48 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 2haq s VAL 179 CO 0.37 -0.89 0.06 -0.75 0.00 0.00 0.00 175.10 173.89 2haq s LYS 180 N 2.37 3.26 -0.60 2.72 2.20 -0.08 -1.65 119.74 127.95 2haq s LYS 180 Ca 0.11 -0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 55.20 2haq s LYS 180 Cb -0.23 -2.98 0.07 0.00 -1.51 0.00 0.00 37.83 33.18 2haq s LYS 180 CO 0.08 0.68 0.84 0.42 -0.36 0.00 0.00 175.35 177.02 2haq s ILE 181 N -0.80 4.54 -1.08 5.43 1.01 -0.20 -0.91 121.20 129.20 2haq s ILE 181 Ca 0.13 -0.46 0.28 0.00 0.00 0.00 0.00 60.65 60.59 2haq s ILE 181 Cb -0.12 -4.56 0.19 0.00 0.01 0.00 0.00 42.46 37.98 2haq s ILE 181 CO 0.03 -1.23 1.74 1.33 0.00 0.00 0.00 174.94 176.81 2haq n VAL 182 N 5.82 0.00 -3.59 2.92 0.24 -0.21 0.53 118.33 124.04 2haq n VAL 182 Ca -0.05 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.11 2haq n VAL 182 Cb 0.45 -0.19 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 2haq n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2haq s ALA 183 N -2.93 -1.86 0.09 2.33 0.00 -1.22 -4.60 121.76 113.57 2haq s ALA 183 Ca 0.15 1.71 -0.13 0.00 0.00 0.00 0.00 51.96 53.69 2haq s ALA 183 Cb 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2haq s ALA 183 CO 0.58 -0.31 0.32 -1.54 0.00 0.00 0.00 175.76 174.81 2haq s SER 184 N -0.38 -0.11 0.00 0.00 1.04 -1.26 -0.63 113.70 112.36 2haq s SER 184 Ca -0.02 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2haq s SER 184 Cb -0.03 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2haq s SER 184 CO 0.01 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2haq n GLY 185 N 0.01 -1.24 3.77 7.32 0.00 -1.04 -4.64 105.19 109.37 2haq n GLY 185 Ca -0.16 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2haq n GLY 185 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2haq s GLU 186 N -0.94 3.05 0.00 1.61 2.12 -1.26 -1.49 118.70 121.78 2haq s GLU 186 Ca 0.00 -0.49 0.15 0.00 0.36 0.00 0.00 54.97 54.99 2haq s GLU 186 Cb 0.00 -2.85 0.12 0.00 0.26 0.00 0.00 34.13 31.66 2haq s GLU 186 CO 0.00 0.65 0.97 1.28 -0.54 0.00 0.00 175.26 177.62