#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s ILE 3 N 0.00 1.50 0.19 0.44 1.01 -1.26 -1.43 121.20 121.66 2waq s ILE 3 Ca 0.00 -2.36 0.11 0.00 0.00 0.00 0.00 60.65 58.41 2waq s ILE 3 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2waq s ILE 3 CO 0.00 -0.81 -0.24 0.20 0.00 0.00 0.00 174.94 174.10 2waq s ASN 4 N 0.62 3.40 1.10 3.58 0.01 -1.19 -4.97 114.94 117.50 2waq s ASN 4 Ca 0.15 -0.86 -0.13 0.00 -0.71 0.00 0.00 52.86 51.31 2waq s ASN 4 Cb -0.23 -0.25 0.25 0.00 0.41 0.00 0.00 41.25 41.43 2waq s ASN 4 CO -0.06 0.12 1.06 -0.76 -1.51 0.00 0.00 177.10 175.94 2waq s LEU 5 N -2.65 1.11 0.00 0.60 1.43 -1.26 -1.97 118.68 115.94 2waq s LEU 5 Ca 0.20 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2waq s LEU 5 Cb -0.08 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2waq s LEU 5 CO 0.10 -3.77 0.00 -0.11 0.23 0.00 0.00 176.35 172.80 2waq n LEU 6 N -4.61 0.02 -3.15 1.79 7.94 -0.67 -4.68 117.00 113.64 2waq n LEU 6 Ca 0.04 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.98 2waq n LEU 6 Cb 0.56 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 2waq n LEU 6 CO 0.58 0.00 0.25 -2.28 -1.11 0.00 0.00 177.39 174.83 2waq s HIS 7 N -1.01 -1.39 -0.21 1.96 2.46 -1.24 -4.96 115.29 110.91 2waq s HIS 7 Ca 0.00 1.12 0.01 0.00 0.47 0.00 0.00 55.06 56.66 2waq s HIS 7 Cb 0.00 0.36 0.05 0.00 -0.13 0.00 0.00 32.58 32.85 2waq s HIS 7 CO 0.00 -0.79 -0.09 0.21 -2.47 0.00 0.00 174.74 171.60 2waq s LYS 8 N 2.88 1.91 0.00 2.88 2.20 -1.26 -0.46 119.74 127.89 2waq s LYS 8 Ca 0.15 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 2waq s LYS 8 Cb -0.11 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 2waq s LYS 8 CO -0.22 -0.47 0.00 -0.40 -0.36 0.00 0.00 175.35 173.91 2waq n ASP 9 N 4.69 0.45 0.11 1.43 5.75 -0.97 -5.05 116.55 122.95 2waq n ASP 9 Ca -0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.62 2waq n ASP 9 Cb 0.46 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.73 2waq n ASP 9 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2waq h ASP 10 N 0.00 0.17 0.00 -1.12 3.58 -2.03 -3.40 116.42 113.61 2waq h ASP 10 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2waq h ASP 10 Cb 0.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2waq h ASP 10 CO 0.00 0.67 -0.27 0.29 -2.88 0.00 0.00 179.24 177.05 2waq n LYS 11 N -3.92 1.52 -3.76 0.28 5.02 -1.26 -4.43 118.16 111.60 2waq n LYS 11 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 2waq n LYS 11 Cb 0.56 -0.64 -0.10 0.00 -0.02 0.00 0.00 35.03 34.83 2waq n LYS 11 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2waq s ARG 12 N -1.18 3.99 -0.03 1.97 3.52 -1.26 -0.98 118.95 124.98 2waq s ARG 12 Ca 0.00 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2waq s ARG 12 Cb 0.00 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2waq s ARG 12 CO 0.00 0.08 -0.12 -1.50 -0.81 0.00 0.00 175.30 172.95 2waq s ILE 13 N 0.96 1.03 -0.04 4.11 -1.16 0.12 -2.30 121.20 123.92 2waq s ILE 13 Ca 0.06 -0.50 0.07 0.00 -0.51 0.00 0.00 60.65 59.77 2waq s ILE 13 Cb -0.13 -0.89 -0.02 0.00 0.61 0.00 0.00 42.46 42.02 2waq s ILE 13 CO 0.03 0.31 -0.24 -1.81 -2.81 0.00 0.00 174.94 170.42 2waq s ASP 14 N 0.09 3.16 0.13 4.50 1.11 0.39 -0.22 116.67 125.83 2waq s ASP 14 Ca -0.02 -0.46 0.06 0.00 0.18 0.00 0.00 52.55 52.31 2waq s ASP 14 Cb -0.09 -0.58 -0.04 0.00 1.07 0.00 0.00 42.92 43.28 2waq s ASP 14 CO 0.01 0.29 -0.15 -0.76 1.18 0.00 0.00 175.17 175.74 2waq s LEU 15 N -0.45 2.42 -0.10 1.23 1.43 0.11 -1.67 118.68 121.64 2waq s LEU 15 Ca 0.05 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 2waq s LEU 15 Cb -0.11 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.51 2waq s LEU 15 CO 0.01 -0.13 -0.21 -0.69 0.23 0.00 0.00 176.35 175.56 2waq s VAL 16 N -2.18 1.88 -0.13 -1.59 1.01 -0.83 -0.87 120.40 117.69 2waq s VAL 16 Ca 0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2waq s VAL 16 Cb -0.05 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2waq s VAL 16 CO 0.04 0.52 0.01 -0.36 0.00 0.00 0.00 175.10 175.30 2waq s PHE 17 N 0.56 3.15 -0.03 5.22 0.40 0.52 -3.16 117.98 124.64 2waq s PHE 17 Ca -0.14 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2waq s PHE 17 Cb -0.17 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.47 2waq s PHE 17 CO 0.05 0.24 0.03 -2.00 0.70 0.00 0.00 175.22 174.24 2waq s GLU 18 N -0.19 0.08 0.00 0.44 2.12 -0.51 -1.78 118.70 118.86 2waq s GLU 18 Ca 0.05 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2waq s GLU 18 Cb -0.12 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.87 2waq s GLU 18 CO 0.02 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 2waq n GLY 19 N 4.42 2.75 3.70 -1.50 0.00 -1.15 -0.36 105.19 113.05 2waq n GLY 19 Ca -0.22 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2waq n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waq s TYR 20 N -1.26 3.25 0.78 1.61 1.51 -1.26 -5.00 117.35 116.98 2waq s TYR 20 Ca 0.00 1.16 -0.13 0.00 -1.01 0.00 0.00 57.07 57.10 2waq s TYR 20 Cb 0.00 -3.48 0.06 0.00 -0.11 0.00 0.00 41.96 38.43 2waq s TYR 20 CO 0.00 -1.58 1.15 -1.25 -1.11 0.00 0.00 175.55 172.76 2waq s PRO 21 N 1.62 1.98 0.32 -1.71 0.04 -1.26 -4.77 135.00 131.22 2waq s PRO 21 Ca 0.59 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2waq s PRO 21 Cb -0.29 -1.84 0.54 0.00 0.04 0.00 0.00 34.50 32.95 2waq s PRO 21 CO 0.27 -1.90 1.98 1.25 0.04 0.00 0.00 177.00 178.63 2waq h LEU 22 N -0.85 0.85 -0.07 -3.56 5.85 -1.94 -2.44 115.31 113.15 2waq h LEU 22 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2waq h LEU 22 Cb 1.27 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2waq h LEU 22 CO 0.49 0.61 0.00 -1.84 -0.34 0.00 0.00 178.44 177.35 2waq n GLU 23 N -4.43 0.04 -0.09 1.25 0.00 -1.26 -2.36 120.64 113.78 2waq n GLU 23 Ca 0.09 0.18 -0.22 0.00 0.00 0.00 0.00 57.16 57.20 2waq n GLU 23 Cb 0.05 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 29.82 2waq n GLU 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2waq n PHE 24 N -1.62 0.55 -0.36 -1.84 7.35 -0.94 -3.34 117.46 117.25 2waq n PHE 24 Ca 0.05 0.16 0.06 0.00 -0.76 0.00 0.00 57.45 56.95 2waq n PHE 24 Cb 0.25 -1.06 0.22 0.00 0.35 0.00 0.00 39.48 39.23 2waq n PHE 24 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2waq h VAL 25 N -0.41 0.96 -0.28 -2.13 2.07 -1.45 -0.16 116.25 114.85 2waq h VAL 25 Ca -0.52 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 2waq h VAL 25 Cb 1.76 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2waq h VAL 25 CO -0.14 0.19 -0.42 -1.13 0.02 0.00 0.00 177.57 176.09 2waq h ASN 26 N 1.03 0.74 0.29 0.57 -1.24 -1.67 -2.75 115.58 112.54 2waq h ASN 26 Ca 0.48 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2waq h ASN 26 Cb 0.40 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.24 2waq h ASN 26 CO -0.24 1.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.96 2waq h ALA 27 N 0.97 1.00 0.06 1.57 0.00 -1.05 0.20 119.26 122.01 2waq h ALA 27 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2waq h ALA 27 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2waq h ALA 27 CO 0.09 0.00 -1.25 0.82 0.00 0.00 0.00 179.25 178.90 2waq h ILE 28 N 0.00 1.03 -0.93 0.00 1.08 -1.24 -3.23 117.51 114.22 2waq h ILE 28 Ca 0.00 -2.30 0.08 0.00 -0.39 0.00 0.00 64.86 62.25 2waq h ILE 28 Cb 0.14 2.57 -0.07 0.00 -3.07 0.00 0.00 36.82 36.40 2waq h ILE 28 CO 0.00 0.56 0.60 -0.09 -0.69 0.00 0.00 178.15 178.53 2waq h ARG 29 N -0.62 0.97 -0.01 2.37 2.43 -0.97 0.46 114.38 119.01 2waq h ARG 29 Ca -0.30 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.63 2waq h ARG 29 Cb 1.52 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2waq h ARG 29 CO -0.05 0.64 -0.81 0.00 -1.51 0.00 0.00 179.97 178.25 2waq h ARG 30 N 1.00 0.18 0.00 0.20 3.08 -1.19 -3.05 114.38 114.59 2waq h ARG 30 Ca 0.42 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2waq h ARG 30 Cb 0.30 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2waq h ARG 30 CO -0.18 0.89 -0.60 0.00 -1.07 0.00 0.00 179.97 179.02 2waq h ALA 31 N 1.05 0.78 0.00 0.04 0.00 -1.20 -1.78 119.26 118.16 2waq h ALA 31 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 2waq h ALA 31 Cb 1.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2waq h ALA 31 CO 0.12 0.74 -0.44 0.00 0.00 0.00 0.00 179.25 179.67 2waq h ALA 32 N 1.40 0.97 0.24 0.00 0.00 -0.15 -2.51 119.26 119.22 2waq h ALA 32 Ca -0.01 -0.40 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 2waq h ALA 32 Cb 1.24 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.99 2waq h ALA 32 CO 0.08 0.55 -1.49 0.52 0.00 0.00 0.00 179.25 178.91 2waq h MET 33 N 0.00 0.51 0.00 0.00 2.07 -1.41 -3.41 114.93 112.69 2waq h MET 33 Ca -0.00 -0.87 0.00 0.00 -2.07 0.00 0.00 59.70 56.75 2waq h MET 33 Cb 0.97 0.32 0.00 0.00 -1.87 0.00 0.00 31.60 31.03 2waq h MET 33 CO 0.06 1.42 0.00 1.28 1.07 0.00 0.00 176.91 180.73 2waq n LEU 34 N -3.69 0.00 0.00 1.22 4.77 -0.68 -4.42 117.00 114.20 2waq n LEU 34 Ca -0.17 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.88 2waq n LEU 34 Cb 1.10 -0.25 0.38 0.00 -2.33 0.00 0.00 43.42 42.32 2waq n LEU 34 CO 0.59 -0.30 0.64 -1.22 -1.33 0.00 0.00 177.39 175.78 2waq n TYR 35 N -2.07 0.00 -3.20 -1.77 4.01 -0.95 -0.00 117.16 113.18 2waq n TYR 35 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2waq n TYR 35 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2waq n TYR 35 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2waq s VAL 36 N -2.00 4.98 0.39 -0.72 1.01 -1.20 -4.93 120.40 117.93 2waq s VAL 36 Ca 0.19 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2waq s VAL 36 Cb 0.09 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2waq s VAL 36 CO 0.15 -0.22 0.79 -2.16 0.00 0.00 0.00 175.10 173.66 2waq s PRO 37 N 2.48 3.90 0.15 2.72 0.04 -1.26 -4.46 135.00 138.57 2waq s PRO 37 Ca 0.21 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.88 2waq s PRO 37 Cb -0.15 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2waq s PRO 37 CO 0.13 0.00 0.02 0.08 0.04 0.00 0.00 177.00 177.28 2waq s VAL 38 N -2.26 0.45 -0.19 -0.36 1.01 -1.10 -4.92 120.40 113.03 2waq s VAL 38 Ca 0.54 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 2waq s VAL 38 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2waq s VAL 38 CO 0.26 -0.49 0.47 -0.32 0.00 0.00 0.00 175.10 175.01 2waq s MET 39 N -3.96 4.20 0.04 2.72 1.75 -1.26 -2.30 119.30 120.48 2waq s MET 39 Ca 0.23 0.33 -0.24 0.00 -1.25 0.00 0.00 55.69 54.76 2waq s MET 39 Cb 0.07 -3.54 0.06 0.00 2.84 0.00 0.00 34.83 34.26 2waq s MET 39 CO 0.03 -0.08 0.57 -1.54 -0.65 0.00 0.00 175.02 173.35 2waq s SER 40 N 1.06 -0.51 0.21 1.11 1.04 -1.21 -3.02 113.70 112.37 2waq s SER 40 Ca 0.22 0.27 -0.32 0.00 0.48 0.00 0.00 55.95 56.60 2waq s SER 40 Cb -0.15 0.52 -0.14 0.00 0.10 0.00 0.00 66.02 66.35 2waq s SER 40 CO 0.09 -0.74 1.27 -0.38 0.98 0.00 0.00 173.24 174.47 2waq n ILE 41 N 0.38 1.00 -0.04 -1.02 2.08 -1.26 -3.42 119.36 117.08 2waq n ILE 41 Ca -0.18 -0.25 -0.09 0.00 0.56 0.00 0.00 62.75 62.79 2waq n ILE 41 Cb 0.60 -1.17 -0.03 0.00 -0.75 0.00 0.00 39.64 38.29 2waq n ILE 41 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2waq n ASP 42 N 2.02 0.63 -4.14 4.38 4.64 -0.10 -4.70 116.55 119.27 2waq n ASP 42 Ca 0.13 0.10 -0.21 0.00 -1.38 0.00 0.00 54.79 53.43 2waq n ASP 42 Cb 0.29 -0.25 -0.14 0.00 -1.04 0.00 0.00 41.12 39.98 2waq n ASP 42 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 2waq s ASP 43 N -5.75 1.75 -0.14 1.67 1.11 -0.98 -5.02 116.67 109.30 2waq s ASP 43 Ca -0.12 -0.39 0.02 0.00 0.18 0.00 0.00 52.55 52.24 2waq s ASP 43 Cb 0.05 -0.14 0.02 0.00 1.07 0.00 0.00 42.92 43.91 2waq s ASP 43 CO 0.15 0.10 -0.19 -0.69 1.18 0.00 0.00 175.17 175.72 2waq s VAL 44 N -0.66 1.85 -0.43 -1.27 1.01 -1.26 -0.36 120.40 119.28 2waq s VAL 44 Ca 0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2waq s VAL 44 Cb -0.07 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.68 2waq s VAL 44 CO 0.01 0.51 0.32 -0.31 0.00 0.00 0.00 175.10 175.63 2waq s TYR 45 N 1.07 3.24 -0.17 5.22 2.02 -1.06 -4.95 117.35 122.73 2waq s TYR 45 Ca -0.02 -0.74 -0.20 0.00 -0.37 0.00 0.00 57.07 55.74 2waq s TYR 45 Cb -0.14 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 2waq s TYR 45 CO -0.06 -0.66 0.58 -0.06 -1.57 0.00 0.00 175.55 173.78 2waq s PHE 46 N 1.65 3.42 -0.17 2.71 0.40 -1.26 -0.46 117.98 124.26 2waq s PHE 46 Ca 0.04 0.91 0.06 0.00 -0.60 0.00 0.00 56.93 57.35 2waq s PHE 46 Cb -0.21 -2.72 -0.15 0.00 0.51 0.00 0.00 43.02 40.45 2waq s PHE 46 CO 0.09 -0.07 -0.09 -0.89 0.70 0.00 0.00 175.22 174.96 2waq n ILE 47 N 4.38 1.07 -3.69 0.64 5.41 -0.19 -5.01 119.36 121.96 2waq n ILE 47 Ca -0.03 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.12 2waq n ILE 47 Cb 0.50 -0.97 -0.10 0.00 -0.71 0.00 0.00 39.64 38.36 2waq n ILE 47 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2waq s GLU 48 N -2.37 0.43 -0.26 0.38 2.12 -1.14 -4.98 118.70 112.88 2waq s GLU 48 Ca -0.19 0.83 -0.13 0.00 0.36 0.00 0.00 54.97 55.84 2waq s GLU 48 Cb 0.06 0.00 0.08 0.00 0.26 0.00 0.00 34.13 34.54 2waq s GLU 48 CO 0.50 -0.15 0.61 1.21 -0.54 0.00 0.00 175.26 176.89 2waq s ASN 49 N 1.38 -0.85 -0.22 -1.70 3.84 -1.25 0.31 114.94 116.46 2waq s ASN 49 Ca -0.09 1.37 0.17 0.00 0.21 0.00 0.00 52.86 54.51 2waq s ASN 49 Cb -0.08 1.38 0.40 0.00 -0.55 0.00 0.00 41.25 42.40 2waq s ASN 49 CO -0.13 -0.23 1.26 -0.46 -2.79 0.00 0.00 177.10 174.75 2waq n ASN 50 N 4.52 0.07 -4.79 -4.21 6.94 -1.10 -5.01 115.26 111.67 2waq n ASN 50 Ca -0.19 -2.09 -0.29 0.00 -0.02 0.00 0.00 54.58 52.00 2waq n ASN 50 Cb 0.56 0.06 0.13 0.00 -2.36 0.00 0.00 39.78 38.18 2waq n ASN 50 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2waq s SER 51 N -2.24 3.57 0.22 0.53 1.04 -1.26 -4.76 113.70 110.80 2waq s SER 51 Ca 0.18 0.97 0.20 0.00 0.48 0.00 0.00 55.95 57.78 2waq s SER 51 Cb 0.33 -1.55 0.90 0.00 0.10 0.00 0.00 66.02 65.80 2waq s SER 51 CO -0.08 -2.51 1.61 -0.81 0.98 0.00 0.00 173.24 172.42 2waq n PRO 52 N -3.74 0.14 -3.69 4.02 -0.04 -1.26 -4.60 135.00 125.82 2waq n PRO 52 Ca 0.07 0.45 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 2waq n PRO 52 Cb 0.59 -1.81 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 2waq n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2waq s LEU 53 N -4.16 4.16 0.80 1.53 1.43 -1.26 -5.09 118.68 116.09 2waq s LEU 53 Ca 0.03 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2waq s LEU 53 Cb 0.08 -2.11 0.08 0.00 0.03 0.00 0.00 46.19 44.27 2waq s LEU 53 CO 0.30 0.12 1.15 -0.31 0.23 0.00 0.00 176.35 177.83 2waq s TYR 54 N 0.73 2.08 0.27 0.29 2.02 -1.26 -4.76 117.35 116.72 2waq s TYR 54 Ca 0.08 1.66 -0.00 0.00 -0.37 0.00 0.00 57.07 58.43 2waq s TYR 54 Cb -0.12 -3.30 0.62 0.00 -0.40 0.00 0.00 41.96 38.76 2waq s TYR 54 CO 0.02 -2.40 1.67 -0.44 -1.57 0.00 0.00 175.55 172.82 2waq h ASP 55 N -1.02 0.04 -0.07 2.29 5.19 -1.97 -2.23 116.42 118.65 2waq h ASP 55 Ca -0.45 0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.02 2waq h ASP 55 Cb 1.27 0.23 0.01 0.00 0.18 0.00 0.00 39.33 41.01 2waq h ASP 55 CO 0.48 -0.09 -0.39 -0.33 -3.12 0.00 0.00 179.24 175.79 2waq h GLU 56 N 0.26 0.39 -0.71 3.56 3.07 -1.98 -1.70 114.58 117.46 2waq h GLU 56 Ca 0.50 -0.32 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2waq h GLU 56 Cb 0.96 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.87 2waq h GLU 56 CO -0.59 0.96 0.39 0.82 -1.40 0.00 0.00 179.01 179.19 2waq h ILE 57 N -0.09 0.93 -0.19 3.13 2.04 -1.80 0.25 117.51 121.78 2waq h ILE 57 Ca -0.03 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2waq h ILE 57 Cb 1.04 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2waq h ILE 57 CO 0.08 0.13 -0.10 0.25 0.00 0.00 0.00 178.15 178.50 2waq h LEU 58 N 0.69 0.42 -1.41 1.44 6.46 -1.48 -2.17 115.31 119.27 2waq h LEU 58 Ca 0.33 -0.42 0.10 0.00 -0.12 0.00 0.00 57.88 57.76 2waq h LEU 58 Cb 0.26 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 2waq h LEU 58 CO -0.21 0.75 0.50 0.00 -0.62 0.00 0.00 178.44 178.85 2waq h ALA 59 N 0.68 1.81 -0.44 1.25 0.00 -0.59 0.44 119.26 122.41 2waq h ALA 59 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2waq h ALA 59 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2waq h ALA 59 CO 0.03 0.03 -0.00 1.25 0.00 0.00 0.00 179.25 180.56 2waq h HIS 60 N 0.66 0.86 -0.68 0.00 -0.00 -0.43 -2.54 115.15 113.01 2waq h HIS 60 Ca 0.35 -0.15 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2waq h HIS 60 Cb 0.47 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 2waq h HIS 60 CO -0.00 0.84 0.45 0.00 -0.00 0.00 0.00 177.93 179.21 2waq h ARG 61 N 0.63 0.88 -0.62 5.26 3.08 -0.33 -2.71 114.38 120.57 2waq h ARG 61 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2waq h ARG 61 Cb 0.50 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2waq h ARG 61 CO 0.02 0.58 0.40 -0.07 -1.07 0.00 0.00 179.97 179.83 2waq h LEU 62 N 0.91 0.72 -0.97 3.04 3.38 -0.97 -2.67 115.31 118.75 2waq h LEU 62 Ca 0.25 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2waq h LEU 62 Cb -0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 2waq h LEU 62 CO -0.06 0.54 0.62 0.00 0.09 0.00 0.00 178.44 179.63 2waq h ALA 63 N 1.21 1.36 0.00 1.53 0.00 -1.15 -2.35 119.26 119.85 2waq h ALA 63 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2waq h ALA 63 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2waq h ALA 63 CO -0.05 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 2waq h LEU 64 N 1.12 0.00 -9.24 0.00 3.38 -1.19 -3.40 115.31 105.99 2waq h LEU 64 Ca 0.43 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.84 2waq h LEU 64 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2waq h LEU 64 CO -0.18 0.00 0.89 -0.63 0.09 0.00 0.00 178.44 178.61 2waq s ILE 65 N -3.43 4.04 0.49 1.22 1.01 -0.89 -5.01 121.20 118.64 2waq s ILE 65 Ca 0.03 1.32 -0.20 0.00 0.00 0.00 0.00 60.65 61.80 2waq s ILE 65 Cb 0.09 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2waq s ILE 65 CO 0.41 -0.07 1.05 -2.84 0.00 0.00 0.00 174.94 173.48 2waq s PRO 66 N 3.15 3.76 -0.04 2.79 0.02 -1.26 -4.72 135.00 138.70 2waq s PRO 66 Ca 0.60 1.39 0.03 0.00 0.02 0.00 0.00 61.00 63.04 2waq s PRO 66 Cb -0.26 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2waq s PRO 66 CO 0.21 -0.47 -0.14 -0.06 -0.33 0.00 0.00 177.00 176.21 2waq s PHE 67 N -1.96 1.44 -0.27 6.54 0.40 -1.17 -2.30 117.98 120.67 2waq s PHE 67 Ca 0.68 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 56.29 2waq s PHE 67 Cb -0.17 -1.00 -0.06 0.00 0.51 0.00 0.00 43.02 42.29 2waq s PHE 67 CO 0.20 -0.17 2.24 0.25 0.70 0.00 0.00 175.22 178.44 2waq n THR 68 N 3.33 0.28 -1.62 0.64 -2.24 -1.00 -4.25 114.28 109.42 2waq n THR 68 Ca -0.19 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 2waq n THR 68 Cb 0.53 -2.43 0.12 0.00 -2.10 0.00 0.00 70.33 66.45 2waq n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2waq n SER 69 N 11.80 4.17 -0.00 3.42 7.64 0.36 -4.55 113.62 136.46 2waq n SER 69 Ca 0.33 -3.78 -0.17 0.00 1.01 0.00 0.00 58.87 56.25 2waq n SER 69 Cb 0.42 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 2waq n SER 69 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2waq h GLU 70 N 1.55 0.43 -0.00 1.43 4.57 -1.89 -3.31 114.58 117.37 2waq h GLU 70 Ca 0.34 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2waq h GLU 70 Cb 1.48 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2waq h GLU 70 CO 0.73 1.09 -0.76 0.39 -1.18 0.00 0.00 179.01 179.28 2waq n GLU 71 N -4.23 0.10 0.17 1.92 1.02 -1.26 -4.37 120.64 113.99 2waq n GLU 71 Ca -0.10 -0.07 0.02 0.00 -0.02 0.00 0.00 57.16 56.99 2waq n GLU 71 Cb 0.65 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.84 2waq n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2waq h ALA 72 N 3.07 1.04 0.00 0.62 0.00 -1.84 -2.72 119.26 119.44 2waq h ALA 72 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2waq h ALA 72 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2waq h ALA 72 CO 0.00 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.67 2waq h LEU 73 N 0.00 0.00 -0.46 0.00 3.38 -1.76 -2.98 115.31 113.49 2waq h LEU 73 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2waq h LEU 73 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2waq h LEU 73 CO 0.06 0.11 -0.64 0.44 0.09 0.00 0.00 178.44 178.50 2waq h ASP 74 N 0.00 0.00 0.00 -0.43 5.19 -1.75 -3.41 116.42 116.02 2waq h ASP 74 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2waq h ASP 74 Cb 0.77 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 2waq h ASP 74 CO 0.01 0.64 -0.87 0.35 -3.12 0.00 0.00 179.24 176.25 2waq n THR 75 N -3.51 0.37 -2.43 0.35 -2.24 -1.23 -5.08 114.28 100.51 2waq n THR 75 Ca -0.00 0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 2waq n THR 75 Cb 0.70 -1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 2waq n THR 75 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2waq s TYR 76 N -2.04 2.86 0.51 4.78 1.51 -1.13 -4.98 117.35 118.86 2waq s TYR 76 Ca -0.03 1.56 -0.22 0.00 -1.01 0.00 0.00 57.07 57.37 2waq s TYR 76 Cb 0.01 -3.16 -0.06 0.00 -0.11 0.00 0.00 41.96 38.64 2waq s TYR 76 CO 0.03 -1.14 1.30 1.03 -1.11 0.00 0.00 175.55 175.66 2waq s ARG 77 N -3.24 3.39 0.14 -0.62 0.52 0.54 -4.84 118.95 114.84 2waq s ARG 77 Ca 0.69 2.10 -0.21 0.00 -0.52 0.00 0.00 55.73 57.79 2waq s ARG 77 Cb -0.20 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 2waq s ARG 77 CO 0.23 -0.95 0.67 -1.58 0.02 0.00 0.00 175.30 173.70 2waq s TRP 78 N -1.37 3.80 0.14 -0.53 0.52 -1.26 -4.67 118.94 115.57 2waq s TRP 78 Ca 0.68 1.42 0.09 0.00 0.02 0.00 0.00 56.10 58.31 2waq s TRP 78 Cb -0.37 -2.61 0.48 0.00 -1.15 0.00 0.00 33.47 29.82 2waq s TRP 78 CO 0.44 0.50 0.53 -2.30 0.02 0.00 0.00 176.95 176.15 2waq n PRO 79 N 1.42 -0.02 -0.01 4.98 -0.02 -1.26 -2.13 135.00 137.97 2waq n PRO 79 Ca -0.07 0.44 0.23 0.00 -2.02 0.00 0.00 63.50 62.09 2waq n PRO 79 Cb 0.50 -0.84 0.65 0.00 -0.02 0.00 0.00 33.50 33.80 2waq n PRO 79 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2waq h GLU 80 N 0.00 0.00 0.00 -0.52 3.07 -1.93 -2.83 114.58 112.37 2waq h GLU 80 Ca 0.29 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.88 2waq h GLU 80 Cb 0.87 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.73 2waq h GLU 80 CO -0.20 0.00 -2.02 0.39 -1.40 0.00 0.00 179.01 175.78 2waq n GLU 81 N -3.54 0.96 -2.91 2.33 1.02 -0.91 -4.83 120.64 112.76 2waq n GLU 81 Ca 0.12 0.06 -0.44 0.00 -0.02 0.00 0.00 57.16 56.88 2waq n GLU 81 Cb 0.91 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2waq n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2waq n ILE 83 N 4.92 0.73 0.00 0.00 -0.00 -1.26 -4.94 119.36 118.81 2waq n ILE 83 Ca 0.35 0.24 0.00 0.00 -0.00 0.00 0.00 62.75 63.35 2waq n ILE 83 Cb 0.44 -1.21 0.00 0.00 -0.00 0.00 0.00 39.64 38.87 2waq n ILE 83 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2waq n ASP 84 N -3.26 3.47 0.00 4.38 8.00 -1.26 -5.26 116.55 122.62 2waq n ASP 84 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2waq n ASP 84 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2waq n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2waq n GLU 90 N 0.00 0.00 -2.33 0.00 1.02 -1.26 -4.98 120.64 113.09 2waq n GLU 90 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2waq n GLU 90 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2waq n GLU 90 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2waq n LYS 91 N -1.37 4.89 -0.08 3.49 5.02 -1.26 -4.48 118.16 124.37 2waq n LYS 91 Ca 0.00 -4.02 -0.12 0.00 -2.02 0.00 0.00 58.31 52.14 2waq n LYS 91 Cb 0.00 -2.58 -0.07 0.00 -0.02 0.00 0.00 35.03 32.37 2waq n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2waq s TYR 93 N -2.30 1.92 0.12 0.00 1.51 -1.26 -4.55 117.35 112.79 2waq s TYR 93 Ca -0.21 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.57 2waq s TYR 93 Cb 0.06 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2waq s TYR 93 CO 0.34 -0.01 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.47 2waq s THR 94 N -0.56 1.91 -0.05 -0.71 -1.32 -1.02 -4.98 115.64 108.91 2waq s THR 94 Ca 0.08 -1.68 0.04 0.00 -1.21 0.00 0.00 61.69 58.92 2waq s THR 94 Cb -0.08 -1.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 2waq s THR 94 CO -0.00 -0.06 -0.17 -0.54 -2.21 0.00 0.00 174.62 171.64 2waq s LYS 95 N -2.12 2.47 0.13 7.08 1.02 -1.26 -0.38 119.74 126.68 2waq s LYS 95 Ca 0.11 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.42 2waq s LYS 95 Cb -0.09 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2waq s LYS 95 CO 0.05 0.58 -0.16 0.96 -0.92 0.00 0.00 175.35 175.87 2waq s ILE 96 N -0.63 1.53 0.08 2.17 -5.25 0.08 -4.42 121.20 114.76 2waq s ILE 96 Ca 0.10 -1.77 0.06 0.00 -0.99 0.00 0.00 60.65 58.05 2waq s ILE 96 Cb -0.11 -1.64 -0.03 0.00 2.95 0.00 0.00 42.46 43.63 2waq s ILE 96 CO 0.01 -0.35 -0.17 -0.31 -1.79 0.00 0.00 174.94 172.33 2waq s TYR 97 N -2.01 1.45 -0.06 1.37 1.51 -1.26 -1.64 117.35 116.71 2waq s TYR 97 Ca 0.11 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2waq s TYR 97 Cb -0.06 -0.81 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 2waq s TYR 97 CO 0.04 0.11 -0.01 0.42 -1.11 0.00 0.00 175.55 175.01 2waq s ILE 98 N -1.21 0.40 -0.25 2.71 1.09 -1.13 -0.59 121.20 122.21 2waq s ILE 98 Ca 0.01 0.05 -0.04 0.00 -1.10 0.00 0.00 60.65 59.58 2waq s ILE 98 Cb -0.10 -0.51 0.09 0.00 -1.06 0.00 0.00 42.46 40.88 2waq s ILE 98 CO 0.03 0.24 0.16 -1.61 -0.10 0.00 0.00 174.94 173.66 2waq s GLU 99 N 1.56 0.18 -0.17 2.79 2.02 -1.26 -2.49 118.70 121.33 2waq s GLU 99 Ca -0.01 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.61 2waq s GLU 99 Cb -0.13 -1.26 0.05 0.00 0.10 0.00 0.00 34.13 32.89 2waq s GLU 99 CO -0.03 -0.88 0.44 0.00 0.02 0.00 0.00 175.26 174.81 2waq s ALA 100 N 2.19 -1.10 -0.04 5.21 0.00 -1.15 -5.05 121.76 121.82 2waq s ALA 100 Ca 0.07 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.45 2waq s ALA 100 Cb -0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2waq s ALA 100 CO -0.25 -0.23 -0.18 -1.83 0.00 0.00 0.00 175.76 173.26 2waq s GLU 101 N 0.67 1.83 -0.29 0.00 1.03 -1.26 -2.42 118.70 118.26 2waq s GLU 101 Ca -0.04 -0.66 -0.21 0.00 0.03 0.00 0.00 54.97 54.10 2waq s GLU 101 Cb -0.05 -1.61 -0.01 0.00 -0.80 0.00 0.00 34.13 31.66 2waq s GLU 101 CO -0.05 0.29 0.68 0.00 -1.33 0.00 0.00 175.26 174.85 2waq s ALA 102 N -0.07 3.55 0.04 -0.84 0.00 -1.01 -4.97 121.76 118.47 2waq s ALA 102 Ca -0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 2waq s ALA 102 Cb -0.11 -3.14 -0.14 0.00 0.00 0.00 0.00 23.12 19.72 2waq s ALA 102 CO 0.02 -1.05 1.46 -0.07 0.00 0.00 0.00 175.76 176.12 2waq h LEU 103 N 9.19 0.19 0.00 0.00 3.38 -1.91 0.30 115.31 126.46 2waq h LEU 103 Ca -0.26 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2waq h LEU 103 Cb 1.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2waq h LEU 103 CO 0.82 0.47 0.00 -3.20 0.09 0.00 0.00 178.44 176.62 2waq n ASN 104 N -4.80 0.00 -4.71 -0.43 2.85 -1.26 -3.33 115.26 103.59 2waq n ASN 104 Ca -0.06 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.01 2waq n ASN 104 Cb 0.21 0.08 0.03 0.00 1.24 0.00 0.00 39.78 41.34 2waq n ASN 104 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2waq n GLU 105 N -2.15 1.70 -2.18 1.20 0.28 -1.26 -3.90 120.64 114.32 2waq n GLU 105 Ca 0.00 0.62 -0.31 0.00 -0.16 0.00 0.00 57.16 57.31 2waq n GLU 105 Cb 0.00 -2.44 -0.04 0.00 1.43 0.00 0.00 31.44 30.39 2waq n GLU 105 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2waq s PRO 106 N -2.56 2.81 -0.39 3.44 0.02 -1.26 -4.45 135.00 132.60 2waq s PRO 106 Ca 0.67 -0.45 -0.22 0.00 0.02 0.00 0.00 61.00 61.02 2waq s PRO 106 Cb -0.46 -5.10 0.01 0.00 0.02 0.00 0.00 34.50 28.98 2waq s PRO 106 CO 0.53 -3.06 0.70 0.21 -0.33 0.00 0.00 177.00 175.05 2waq s LYS 107 N 6.51 3.57 -0.44 5.54 2.20 -1.17 -4.84 119.74 131.11 2waq s LYS 107 Ca 0.64 0.01 -0.28 0.00 -0.36 0.00 0.00 55.97 55.97 2waq s LYS 107 Cb -0.05 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.41 2waq s LYS 107 CO -0.02 -0.89 1.47 1.41 -0.36 0.00 0.00 175.35 176.96 2waq s MET 108 N 2.95 3.46 -0.27 4.03 -2.45 -1.26 -1.51 119.30 124.25 2waq s MET 108 Ca 0.27 0.88 -0.29 0.00 -1.25 0.00 0.00 55.69 55.30 2waq s MET 108 Cb -0.14 -4.08 0.01 0.00 1.25 0.00 0.00 34.83 31.88 2waq s MET 108 CO 0.18 -1.71 1.15 -1.17 1.05 0.00 0.00 175.02 174.51 2waq s LEU 109 N 5.84 4.00 0.58 4.11 0.20 0.70 -4.98 118.68 129.13 2waq s LEU 109 Ca 0.62 1.27 0.09 0.00 0.69 0.00 0.00 54.13 56.79 2waq s LEU 109 Cb -0.14 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.17 2waq s LEU 109 CO 0.31 -0.85 0.80 -0.31 -0.29 0.00 0.00 176.35 176.01 2waq s TYR 110 N 3.67 1.48 -0.45 5.38 1.51 -1.26 -0.45 117.35 127.23 2waq s TYR 110 Ca 0.49 -0.67 0.26 0.00 -1.01 0.00 0.00 57.07 56.14 2waq s TYR 110 Cb -0.15 -2.29 0.94 0.00 -0.11 0.00 0.00 41.96 40.35 2waq s TYR 110 CO 0.15 -1.18 1.77 0.66 -1.11 0.00 0.00 175.55 175.84 2waq h SER 111 N 0.13 0.00 0.06 2.29 4.64 -0.70 -2.88 113.55 117.09 2waq h SER 111 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2waq h SER 111 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2waq h SER 111 CO 0.41 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.66 2waq n LYS 112 N -2.47 0.51 0.02 4.77 2.85 -0.86 -2.62 118.16 120.35 2waq n LYS 112 Ca 0.03 0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 2waq n LYS 112 Cb 0.33 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 2waq n LYS 112 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2waq n ASP 113 N -1.05 0.51 -4.68 -5.58 10.43 -1.09 -4.92 116.55 110.18 2waq n ASP 113 Ca 0.13 -0.19 -0.42 0.00 2.57 0.00 0.00 54.79 56.88 2waq n ASP 113 Cb 0.08 1.14 -0.03 0.00 1.84 0.00 0.00 41.12 44.14 2waq n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2waq s ILE 114 N -3.29 3.36 0.28 0.53 1.01 -1.08 -4.72 121.20 117.29 2waq s ILE 114 Ca 0.00 0.67 0.33 0.00 0.00 0.00 0.00 60.65 61.65 2waq s ILE 114 Cb 0.14 -3.43 0.36 0.00 0.01 0.00 0.00 42.46 39.53 2waq s ILE 114 CO 0.84 -0.02 2.05 0.11 0.00 0.00 0.00 174.94 177.92 2waq h LYS 115 N 8.70 0.00 0.00 2.79 1.57 -1.20 -3.47 116.57 124.96 2waq h LYS 115 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2waq h LYS 115 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2waq h LYS 115 CO 0.93 0.06 0.00 0.43 -0.57 0.00 0.00 179.45 180.31 2waq n SER 116 N -3.26 0.00 0.00 0.86 7.64 -1.26 -4.83 113.62 112.77 2waq n SER 116 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2waq n SER 116 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2waq n SER 116 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2waq n GLU 117 N 0.00 0.00 -2.28 1.43 2.13 -1.26 -4.62 120.64 116.04 2waq n GLU 117 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2waq n GLU 117 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2waq n GLU 117 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2waq s ASP 118 N -3.10 6.52 0.59 4.31 2.15 -1.26 -4.91 116.67 120.96 2waq s ASP 118 Ca 0.00 1.37 0.29 0.00 0.43 0.00 0.00 52.55 54.64 2waq s ASP 118 Cb 0.00 -2.54 1.74 0.00 -0.30 0.00 0.00 42.92 41.82 2waq s ASP 118 CO 0.00 -1.18 2.18 1.55 -0.17 0.00 0.00 175.17 177.54 2waq h PRO 119 N 10.04 0.00 -0.08 4.34 0.13 -1.97 -2.49 132.00 141.99 2waq h PRO 119 Ca -0.30 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.63 2waq h PRO 119 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 2waq h PRO 119 CO 1.02 0.00 -0.75 0.66 -0.23 0.00 0.00 178.00 178.70 2waq h SER 120 N 0.00 0.79 -3.34 1.44 4.64 -1.93 -3.42 113.55 111.74 2waq h SER 120 Ca 0.04 -0.68 -0.66 0.00 -0.47 0.00 0.00 61.79 60.02 2waq h SER 120 Cb 0.25 -0.24 -0.16 0.00 -0.31 0.00 0.00 62.40 61.94 2waq h SER 120 CO -0.00 1.36 0.18 -0.63 -0.87 0.00 0.00 176.83 176.87 2waq s ILE 121 N -3.53 4.76 0.18 0.95 1.09 -0.94 -4.77 121.20 118.94 2waq s ILE 121 Ca -0.11 -0.15 0.04 0.00 -1.10 0.00 0.00 60.65 59.33 2waq s ILE 121 Cb 0.07 -4.32 -0.05 0.00 -1.06 0.00 0.00 42.46 37.10 2waq s ILE 121 CO 0.88 -0.81 -0.07 0.68 -0.10 0.00 0.00 174.94 175.52 2waq s VAL 122 N 2.96 1.15 0.27 2.92 -7.23 -1.26 -4.74 120.40 114.46 2waq s VAL 122 Ca 0.20 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 2waq s VAL 122 Cb -0.16 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 2waq s VAL 122 CO 0.15 -0.59 1.43 -2.84 -0.31 0.00 0.00 175.10 172.95 2waq s PRO 123 N -3.78 4.26 0.20 4.82 0.02 -1.26 -2.38 135.00 136.88 2waq s PRO 123 Ca 0.21 2.32 0.15 0.00 0.02 0.00 0.00 61.00 63.70 2waq s PRO 123 Cb 0.03 -3.09 0.77 0.00 0.02 0.00 0.00 34.50 32.23 2waq s PRO 123 CO 0.04 -0.41 1.46 0.44 -0.33 0.00 0.00 177.00 178.20 2waq n ILE 124 N 2.04 1.30 -3.90 2.83 -6.64 -0.97 -4.57 119.36 109.44 2waq n ILE 124 Ca 0.06 0.58 -0.11 0.00 -1.77 0.00 0.00 62.75 61.51 2waq n ILE 124 Cb 0.40 -1.56 -0.11 0.00 -1.44 0.00 0.00 39.64 36.93 2waq n ILE 124 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2waq s SER 125 N -3.69 0.06 0.17 7.28 0.15 -1.26 -5.07 113.70 111.34 2waq s SER 125 Ca -0.00 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.63 2waq s SER 125 Cb 0.05 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 2waq s SER 125 CO 0.16 -0.25 1.08 1.23 1.20 0.00 0.00 173.24 176.67 2waq h GLY 126 N 4.91 0.00 -3.44 9.45 0.00 -1.93 -3.39 103.07 108.68 2waq h GLY 126 Ca -0.29 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.54 2waq h GLY 126 CO 0.42 0.00 0.07 1.22 0.00 0.00 0.00 176.54 178.25 2waq n ASP 127 N -2.96 5.17 -4.61 0.19 8.00 -1.26 -2.04 116.55 119.04 2waq n ASP 127 Ca -0.04 -3.77 -0.42 0.00 0.71 0.00 0.00 54.79 51.27 2waq n ASP 127 Cb 0.75 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 2waq n ASP 127 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2waq s ILE 128 N -4.24 4.74 -0.27 0.53 1.01 -1.26 -4.84 121.20 116.87 2waq s ILE 128 Ca 0.55 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 2waq s ILE 128 Cb 0.45 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2waq s ILE 128 CO 0.02 -0.32 1.69 -2.84 0.00 0.00 0.00 174.94 173.49 2waq s PRO 129 N 3.08 3.60 -0.08 2.79 0.02 -1.26 -0.22 135.00 142.92 2waq s PRO 129 Ca 0.34 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.87 2waq s PRO 129 Cb -0.14 -4.10 -0.01 0.00 0.02 0.00 0.00 34.50 30.27 2waq s PRO 129 CO 0.14 -1.53 -0.08 0.82 -0.33 0.00 0.00 177.00 176.02 2waq h ILE 130 N 6.43 0.00 -3.43 2.83 2.04 -1.04 -3.48 117.51 120.86 2waq h ILE 130 Ca -0.34 -0.67 -0.19 0.00 1.00 0.00 0.00 64.86 64.66 2waq h ILE 130 Cb 1.16 0.00 -0.26 0.00 -0.74 0.00 0.00 36.82 36.98 2waq h ILE 130 CO 1.02 0.00 -0.56 0.54 0.00 0.00 0.00 178.15 179.14 2waq s VAL 131 N -1.67 0.01 -0.36 1.67 0.11 -1.11 -5.02 120.40 114.04 2waq s VAL 131 Ca -0.06 -0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.77 2waq s VAL 131 Cb 0.01 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2waq s VAL 131 CO 0.09 -0.03 0.40 -0.22 -3.33 0.00 0.00 175.10 172.01 2waq s LEU 132 N -0.05 4.51 0.43 2.54 1.98 -1.26 -0.22 118.68 126.61 2waq s LEU 132 Ca -0.01 -0.29 -0.05 0.00 -2.89 0.00 0.00 54.13 50.89 2waq s LEU 132 Cb -0.01 -2.39 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 2waq s LEU 132 CO 0.00 -0.41 0.72 -0.76 -1.89 0.00 0.00 176.35 174.01 2waq s LEU 133 N 2.10 3.77 0.00 -0.68 1.43 -0.57 -4.61 118.68 120.12 2waq s LEU 133 Ca 0.13 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2waq s LEU 133 Cb -0.16 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.31 2waq s LEU 133 CO 0.12 -0.47 0.10 0.61 0.23 0.00 0.00 176.35 176.95 2waq n GLY 134 N -1.92 3.29 3.70 -3.19 0.00 -1.26 -3.03 105.19 102.77 2waq n GLY 134 Ca -0.00 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 2waq n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq s ALA 135 N -2.31 3.77 -1.41 4.61 0.00 -1.25 -3.02 121.76 122.15 2waq s ALA 135 Ca 0.08 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2waq s ALA 135 Cb -0.01 -3.72 0.04 0.00 0.00 0.00 0.00 23.12 19.43 2waq s ALA 135 CO 0.05 -1.11 1.07 0.09 0.00 0.00 0.00 175.76 175.86 2waq n ASN 136 N 5.29 -5.16 -4.32 0.00 4.13 0.10 -4.97 115.26 110.33 2waq n ASN 136 Ca 0.17 -0.65 -0.33 0.00 1.68 0.00 0.00 54.58 55.45 2waq n ASN 136 Cb 0.38 -4.55 -0.15 0.00 -1.54 0.00 0.00 39.78 33.92 2waq n ASN 136 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2waq s GLN 137 N -6.34 3.29 0.06 3.52 -0.21 -1.17 -4.96 119.66 113.86 2waq s GLN 137 Ca 0.54 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 55.26 2waq s GLN 137 Cb -0.25 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 2waq s GLN 137 CO 0.77 0.18 -0.18 0.21 -2.12 0.00 0.00 175.29 174.16 2waq s LYS 138 N 0.40 2.01 -0.09 2.91 2.20 -1.26 -2.41 119.74 123.50 2waq s LYS 138 Ca -0.12 -1.03 0.03 0.00 -0.36 0.00 0.00 55.97 54.49 2waq s LYS 138 Cb -0.16 -2.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2waq s LYS 138 CO 0.06 0.52 -0.19 0.42 -0.36 0.00 0.00 175.35 175.80 2waq s ILE 139 N -0.99 1.71 -0.37 5.43 -1.09 -1.01 -2.72 121.20 122.16 2waq s ILE 139 Ca 0.16 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 2waq s ILE 139 Cb -0.11 -1.51 0.15 0.00 -1.58 0.00 0.00 42.46 39.42 2waq s ILE 139 CO 0.07 0.48 0.25 -0.55 -1.23 0.00 0.00 174.94 173.96 2waq s SER 140 N 0.49 2.51 0.01 3.58 0.15 0.15 -2.93 113.70 117.67 2waq s SER 140 Ca -0.17 -2.42 0.06 0.00 0.70 0.00 0.00 55.95 54.13 2waq s SER 140 Cb -0.17 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2waq s SER 140 CO 0.06 -0.27 -0.17 -1.48 1.20 0.00 0.00 173.24 172.59 2waq s LEU 141 N 0.80 2.65 -0.74 3.45 0.05 -1.04 -1.03 118.68 122.83 2waq s LEU 141 Ca 0.22 -0.35 0.02 0.00 0.05 0.00 0.00 54.13 54.07 2waq s LEU 141 Cb -0.16 -1.54 0.18 0.00 -2.05 0.00 0.00 46.19 42.62 2waq s LEU 141 CO -0.05 0.28 0.56 -0.70 -0.55 0.00 0.00 176.35 175.89 2waq s GLU 142 N -1.22 2.68 0.26 1.48 2.12 0.39 -2.86 118.70 121.56 2waq s GLU 142 Ca 0.14 -3.18 -0.23 0.00 0.36 0.00 0.00 54.97 52.06 2waq s GLU 142 Cb -0.11 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 2waq s GLU 142 CO 0.04 -1.25 0.82 0.00 -0.54 0.00 0.00 175.26 174.33 2waq s ALA 143 N -1.19 3.33 -0.07 6.30 0.00 -0.65 -2.57 121.76 126.91 2waq s ALA 143 Ca 0.24 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2waq s ALA 143 Cb -0.09 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2waq s ALA 143 CO -0.12 0.26 -0.18 0.50 0.00 0.00 0.00 175.76 176.22 2waq s ARG 144 N -1.98 2.11 0.27 0.00 3.52 0.51 -0.75 118.95 122.64 2waq s ARG 144 Ca 0.46 -0.62 0.09 0.00 -0.13 0.00 0.00 55.73 55.53 2waq s ARG 144 Cb -0.18 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 2waq s ARG 144 CO 0.22 0.16 0.03 -0.51 -0.81 0.00 0.00 175.30 174.40 2waq s LEU 145 N 0.31 3.26 0.22 -0.88 1.02 0.49 -0.92 118.68 122.18 2waq s LEU 145 Ca -0.11 -0.63 -0.18 0.00 0.02 0.00 0.00 54.13 53.23 2waq s LEU 145 Cb -0.15 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.32 2waq s LEU 145 CO 0.04 -0.04 0.56 0.00 0.02 0.00 0.00 176.35 176.93 2waq s ARG 146 N -3.71 1.48 0.26 1.70 1.70 -1.22 -2.42 118.95 116.73 2waq s ARG 146 Ca 0.32 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2waq s ARG 146 Cb -0.06 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 2waq s ARG 146 CO 0.21 -0.64 1.00 -0.51 -1.08 0.00 0.00 175.30 174.28 2waq s LEU 147 N -2.90 4.61 0.04 -1.89 1.43 -1.26 -3.36 118.68 115.35 2waq s LEU 147 Ca 0.11 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2waq s LEU 147 Cb -0.02 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2waq s LEU 147 CO 0.00 0.05 0.14 -0.83 0.23 0.00 0.00 176.35 175.94 2waq s GLY 148 N -1.08 0.10 0.61 -3.19 0.00 -0.97 -4.21 107.32 98.58 2waq s GLY 148 Ca 0.42 -0.39 -0.06 0.00 0.00 0.00 0.00 44.72 44.69 2waq s GLY 148 CO 0.35 -0.55 0.92 -0.19 0.00 0.00 0.00 173.10 173.64 2waq s TYR 149 N -2.48 3.19 0.06 1.90 4.12 -1.26 -2.70 117.35 120.17 2waq s TYR 149 Ca -0.06 0.61 -0.21 0.00 0.02 0.00 0.00 57.07 57.43 2waq s TYR 149 Cb -0.02 -2.83 -0.12 0.00 -1.52 0.00 0.00 41.96 37.47 2waq s TYR 149 CO -0.04 -0.93 1.47 0.78 0.02 0.00 0.00 175.55 176.85 2waq h GLY 150 N -0.26 0.30 1.86 0.71 0.00 -0.64 -3.07 103.07 101.98 2waq h GLY 150 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2waq h GLY 150 CO 0.60 0.21 0.00 1.17 0.00 0.00 0.00 176.54 178.53 2waq n LYS 151 N -4.73 0.09 -0.04 4.80 3.00 -1.26 -0.81 118.16 119.22 2waq n LYS 151 Ca -0.05 0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.25 2waq n LYS 151 Cb 0.23 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 2waq n LYS 151 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2waq h GLU 152 N 0.00 0.45 0.00 1.64 4.81 -1.91 -3.44 114.58 116.14 2waq h GLU 152 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2waq h GLU 152 Cb 0.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2waq h GLU 152 CO 0.00 0.97 0.00 1.58 -0.73 0.00 0.00 179.01 180.83 2waq n HIS 153 N -4.33 0.00 0.00 0.92 -0.00 -1.18 -5.04 115.22 105.60 2waq n HIS 153 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 2waq n HIS 153 Cb 0.54 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2waq n HIS 153 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2waq n ALA 154 N 0.00 0.00 1.04 1.57 0.00 0.01 -4.66 120.51 118.47 2waq n ALA 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2waq n ALA 154 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2waq n ALA 154 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2waq n LYS 155 N -1.02 0.52 0.00 0.00 2.85 -1.26 -2.63 118.16 116.62 2waq n LYS 155 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2waq n LYS 155 Cb 0.00 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2waq n LYS 155 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2waq n PHE 156 N -0.50 0.00 -1.55 5.58 3.01 -1.26 -4.85 117.46 117.89 2waq n PHE 156 Ca 0.00 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.96 2waq n PHE 156 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 2waq n PHE 156 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2waq n ILE 157 N -1.29 0.32 0.42 4.37 5.41 -1.08 -4.44 119.36 123.08 2waq n ILE 157 Ca 0.00 -0.22 0.13 0.00 1.00 0.00 0.00 62.75 63.66 2waq n ILE 157 Cb 0.00 -1.74 0.37 0.00 -0.71 0.00 0.00 39.64 37.56 2waq n ILE 157 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2waq h PRO 158 N 11.22 0.00 -6.04 0.38 0.13 -1.79 -3.46 132.00 132.44 2waq h PRO 158 Ca -0.36 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 2waq h PRO 158 Cb 1.30 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.21 2waq h PRO 158 CO 0.99 0.00 -0.73 0.54 -0.23 0.00 0.00 178.00 178.57 2waq s VAL 159 N -3.23 3.37 -1.68 1.56 0.11 -1.26 -0.51 120.40 118.76 2waq s VAL 159 Ca 0.07 -0.59 0.18 0.00 -2.93 0.00 0.00 61.98 58.72 2waq s VAL 159 Cb 0.09 -2.37 -0.01 0.00 -1.53 0.00 0.00 36.38 32.56 2waq s VAL 159 CO 0.59 0.58 0.94 -1.54 -3.33 0.00 0.00 175.10 172.33 2waq n SER 160 N 2.53 1.78 -3.33 3.54 3.41 -0.02 -4.81 113.62 116.71 2waq n SER 160 Ca -0.18 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 56.93 2waq n SER 160 Cb 0.53 0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 2waq n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2waq s LEU 161 N -2.19 -0.56 -0.39 1.04 2.96 -1.24 -4.98 118.68 113.32 2waq s LEU 161 Ca 0.15 -0.68 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2waq s LEU 161 Cb 0.15 0.90 0.11 0.00 0.50 0.00 0.00 46.19 47.85 2waq s LEU 161 CO 0.46 -0.34 0.13 0.00 -1.32 0.00 0.00 176.35 175.28 2waq s ALA 162 N 2.30 2.60 -0.01 5.97 0.00 -1.25 -2.34 121.76 129.03 2waq s ALA 162 Ca 0.11 -2.53 0.06 0.00 0.00 0.00 0.00 51.96 49.60 2waq s ALA 162 Cb -0.13 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 2waq s ALA 162 CO -0.26 -1.81 -0.18 0.42 0.00 0.00 0.00 175.76 173.92 2waq s ILE 163 N 0.71 1.45 -0.09 0.00 1.09 -0.84 -4.98 121.20 118.54 2waq s ILE 163 Ca 0.13 -0.79 0.01 0.00 -1.10 0.00 0.00 60.65 58.90 2waq s ILE 163 Cb -0.21 -1.21 0.02 0.00 -1.06 0.00 0.00 42.46 40.00 2waq s ILE 163 CO -0.09 0.41 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.37 2waq s VAL 164 N -0.42 1.11 0.06 2.92 1.01 -1.26 -1.02 120.40 122.80 2waq s VAL 164 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2waq s VAL 164 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2waq s VAL 164 CO -0.01 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.42 2waq s ARG 165 N 1.18 0.64 0.52 2.72 1.04 -0.54 -4.99 118.95 119.52 2waq s ARG 165 Ca -0.05 -1.16 -0.21 0.00 -1.04 0.00 0.00 55.73 53.27 2waq s ARG 165 Cb -0.14 0.06 -0.06 0.00 -2.04 0.00 0.00 34.95 32.77 2waq s ARG 165 CO -0.02 -0.07 1.24 0.71 -0.04 0.00 0.00 175.30 177.12 2waq s TYR 166 N -3.44 2.55 -0.15 5.89 2.02 -1.26 -0.20 117.35 122.76 2waq s TYR 166 Ca 0.05 1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 57.93 2waq s TYR 166 Cb 0.04 -3.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.04 2waq s TYR 166 CO -0.07 -2.15 1.29 -0.47 -1.57 0.00 0.00 175.55 172.58 2waq s TYR 167 N -1.48 2.78 0.81 2.71 5.04 -0.01 -4.64 117.35 122.55 2waq s TYR 167 Ca 0.70 0.94 -0.12 0.00 -2.44 0.00 0.00 57.07 56.16 2waq s TYR 167 Cb -0.33 -3.54 0.07 0.00 0.35 0.00 0.00 41.96 38.52 2waq s TYR 167 CO 0.38 -1.88 1.13 -1.25 -1.34 0.00 0.00 175.55 172.59 2waq s PRO 168 N 3.50 2.02 -0.24 4.97 0.04 -1.26 -2.46 135.00 141.56 2waq s PRO 168 Ca 0.56 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 2waq s PRO 168 Cb -0.23 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.51 2waq s PRO 168 CO 0.16 -1.61 0.40 0.21 0.04 0.00 0.00 177.00 176.19 2waq s LYS 169 N -5.33 0.35 -0.19 4.56 2.36 -1.07 -4.83 119.74 115.59 2waq s LYS 169 Ca 0.61 0.64 -0.04 0.00 -2.55 0.00 0.00 55.97 54.63 2waq s LYS 169 Cb -0.13 -0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 36.34 2waq s LYS 169 CO 0.52 -0.58 -0.03 0.08 1.55 0.00 0.00 175.35 176.89 2waq s VAL 170 N 2.57 3.63 0.14 4.02 1.01 -1.26 -2.90 120.40 127.61 2waq s VAL 170 Ca 0.11 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.77 2waq s VAL 170 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2waq s VAL 170 CO -0.16 0.44 -0.26 -1.61 0.00 0.00 0.00 175.10 173.52 2waq s GLU 171 N 1.03 1.41 -0.36 2.72 2.02 -0.42 -4.98 118.70 120.12 2waq s GLU 171 Ca 0.01 -1.37 0.01 0.00 0.02 0.00 0.00 54.97 53.64 2waq s GLU 171 Cb -0.15 -1.87 0.10 0.00 0.10 0.00 0.00 34.13 32.32 2waq s GLU 171 CO 0.01 0.43 0.11 0.42 0.02 0.00 0.00 175.26 176.25 2waq s ILE 172 N -1.18 2.65 -0.09 -1.63 -1.09 -1.26 -2.50 121.20 116.10 2waq s ILE 172 Ca 0.15 -2.23 0.15 0.00 -2.23 0.00 0.00 60.65 56.48 2waq s ILE 172 Cb -0.10 -2.90 -0.12 0.00 -1.58 0.00 0.00 42.46 37.77 2waq s ILE 172 CO 0.07 -0.63 0.96 -0.07 -1.23 0.00 0.00 174.94 174.04 2waq h LEU 173 N 7.78 0.00 -8.32 2.97 3.38 -0.66 -3.49 115.31 116.97 2waq h LEU 173 Ca -0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2waq h LEU 173 Cb 1.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2waq h LEU 173 CO 0.59 0.67 -0.09 -0.83 0.09 0.00 0.00 178.44 178.87 2waq s GLY 174 N -4.77 0.89 -0.13 0.83 0.00 -1.02 -4.99 107.32 98.13 2waq s GLY 174 Ca -0.01 -1.12 -0.16 0.00 0.00 0.00 0.00 44.72 43.42 2waq s GLY 174 CO 0.80 -0.73 0.41 0.21 0.00 0.00 0.00 173.10 173.79 2waq s ASN 175 N -3.11 6.60 -0.15 1.64 2.47 -1.26 -4.83 114.94 116.29 2waq s ASN 175 Ca 0.25 0.71 -0.04 0.00 0.42 0.00 0.00 52.86 54.20 2waq s ASN 175 Cb -0.01 -2.25 0.05 0.00 -1.45 0.00 0.00 41.25 37.59 2waq s ASN 175 CO 0.14 0.05 0.06 0.00 -3.72 0.00 0.00 177.10 173.63 2waq h GLU 177 N 8.36 0.03 0.02 0.00 4.39 -1.97 -3.03 114.58 122.37 2waq h GLU 177 Ca -0.15 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.29 2waq h GLU 177 Cb 1.14 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2waq h GLU 177 CO 0.29 0.18 -1.02 0.87 -1.16 0.00 0.00 179.01 178.16 2waq h LYS 178 N 0.03 0.54 -1.42 2.33 6.56 -1.97 -3.37 116.57 119.27 2waq h LYS 178 Ca 0.01 -0.60 0.45 0.00 -1.06 0.00 0.00 60.65 59.44 2waq h LYS 178 Cb 0.28 0.18 -0.12 0.00 -0.57 0.00 0.00 32.23 32.00 2waq h LYS 178 CO 0.02 1.22 0.95 0.78 -2.06 0.00 0.00 179.45 180.36 2waq h GLY 179 N 0.84 1.02 0.93 3.86 0.00 -1.86 0.23 103.07 108.09 2waq h GLY 179 Ca -0.11 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 2waq h GLY 179 CO 0.19 -0.31 -1.00 0.00 0.00 0.00 0.00 176.54 175.42 2waq h ALA 180 N 1.49 -0.06 0.00 3.60 0.00 -1.77 -3.12 119.26 119.40 2waq h ALA 180 Ca 0.82 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2waq h ALA 180 Cb 2.75 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 20.64 2waq h ALA 180 CO -0.33 0.50 -0.11 1.79 0.00 0.00 0.00 179.25 181.10 2waq h THR 181 N -0.08 0.22 0.00 0.00 1.35 -0.83 -3.15 112.91 110.43 2waq h THR 181 Ca -0.16 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2waq h THR 181 Cb 1.75 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2waq h THR 181 CO 0.19 0.11 -1.12 1.33 -0.25 0.00 0.00 175.52 175.78 2waq n VAL 182 N -3.17 0.02 -2.36 6.82 0.24 -0.36 -4.90 118.33 114.61 2waq n VAL 182 Ca 0.02 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 2waq n VAL 182 Cb 0.47 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 2waq n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2waq n PRO 184 N 6.59 1.70 0.00 0.00 -0.04 -1.26 -3.97 135.00 138.03 2waq n PRO 184 Ca 0.14 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2waq n PRO 184 Cb 0.45 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2waq n PRO 184 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2waq n GLU 185 N 0.34 4.23 -2.45 0.54 -0.58 -1.26 -5.04 120.64 116.41 2waq n GLU 185 Ca 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.85 2waq n GLU 185 Cb 0.29 -0.68 0.01 0.00 -0.57 0.00 0.00 31.44 30.49 2waq n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2waq n GLY 186 N 1.53 0.66 0.08 0.62 0.00 -1.25 -4.91 105.19 101.91 2waq n GLY 186 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 2waq n GLY 186 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2waq h VAL 187 N -0.24 1.07 -3.42 1.61 2.07 -1.89 -3.39 116.25 112.06 2waq h VAL 187 Ca -0.06 -2.03 -0.54 0.00 0.82 0.00 0.00 66.70 64.88 2waq h VAL 187 Cb 1.04 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2waq h VAL 187 CO 0.05 0.36 0.21 -0.36 0.02 0.00 0.00 177.57 177.85 2waq s PHE 188 N -2.24 3.68 -0.07 1.57 0.40 -1.26 -2.35 117.98 117.71 2waq s PHE 188 Ca -0.22 1.50 -0.03 0.00 -0.60 0.00 0.00 56.93 57.58 2waq s PHE 188 Cb 0.02 -2.91 0.04 0.00 0.51 0.00 0.00 43.02 40.68 2waq s PHE 188 CO 0.54 0.15 0.13 -2.00 0.70 0.00 0.00 175.22 174.75 2waq s GLU 189 N 0.44 0.01 0.24 0.44 2.12 -0.27 -4.61 118.70 117.07 2waq s GLU 189 Ca 0.42 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.94 2waq s GLU 189 Cb -0.20 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.79 2waq s GLU 189 CO 0.23 -0.29 1.22 -0.51 -0.54 0.00 0.00 175.26 175.37 2waq s LEU 190 N 2.09 4.46 -0.22 2.70 1.43 -1.26 -3.30 118.68 124.58 2waq s LEU 190 Ca 0.02 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 2waq s LEU 190 Cb -0.12 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 2waq s LEU 190 CO -0.05 -0.38 -0.19 0.29 0.23 0.00 0.00 176.35 176.24 2waq n LYS 191 N 1.90 0.55 0.00 1.70 5.02 -1.21 -4.92 118.16 121.18 2waq n LYS 191 Ca 0.03 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2waq n LYS 191 Cb 0.44 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2waq n LYS 191 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2waq n ASP 192 N -3.14 0.00 -0.01 4.39 2.03 -1.26 -5.00 116.55 113.57 2waq n ASP 192 Ca -0.39 0.00 0.00 0.00 0.52 0.00 0.00 54.79 54.92 2waq n ASP 192 Cb 0.91 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 2waq n ASP 192 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2waq n GLY 193 N -0.05 0.02 3.02 0.27 0.00 -1.26 -5.16 105.19 102.04 2waq n GLY 193 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2waq n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s LYS 194 N 0.00 0.43 0.37 1.61 1.02 -1.26 -5.01 119.74 116.90 2waq s LYS 194 Ca 0.00 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 2waq s LYS 194 Cb 0.00 -0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.20 2waq s LYS 194 CO 0.00 -0.02 1.06 -0.51 -0.92 0.00 0.00 175.35 174.96 2waq s LEU 195 N -1.70 4.24 -0.10 3.17 1.43 -1.26 -3.36 118.68 121.09 2waq s LEU 195 Ca -0.11 2.09 -0.19 0.00 -1.03 0.00 0.00 54.13 54.90 2waq s LEU 195 Cb -0.08 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.13 2waq s LEU 195 CO -0.02 -0.41 0.46 -0.94 0.23 0.00 0.00 176.35 175.68 2waq s SER 196 N -1.41 -0.43 -0.43 2.29 1.04 -1.21 -4.97 113.70 108.58 2waq s SER 196 Ca 0.55 0.64 -0.25 0.00 0.48 0.00 0.00 55.95 57.37 2waq s SER 196 Cb -0.24 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2waq s SER 196 CO 0.31 -0.33 0.87 -0.69 0.98 0.00 0.00 173.24 174.38 2waq s VAL 197 N -0.50 4.57 -0.13 5.02 1.01 -1.26 -1.12 120.40 128.00 2waq s VAL 197 Ca -0.06 0.77 0.19 0.00 0.00 0.00 0.00 61.98 62.89 2waq s VAL 197 Cb -0.03 -4.36 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 2waq s VAL 197 CO 0.03 -0.70 0.34 1.17 0.00 0.00 0.00 175.10 175.94 2waq n LYS 198 N 6.89 0.67 -3.50 2.72 4.81 -0.99 -4.85 118.16 123.91 2waq n LYS 198 Ca 0.05 -0.04 -0.21 0.00 -0.87 0.00 0.00 58.31 57.24 2waq n LYS 198 Cb 0.48 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.84 2waq n LYS 198 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2waq s ASN 199 N -5.19 1.96 0.06 3.14 2.47 -1.25 -5.03 114.94 111.10 2waq s ASN 199 Ca -0.08 -0.58 0.08 0.00 0.42 0.00 0.00 52.86 52.70 2waq s ASN 199 Cb 0.09 0.19 -0.22 0.00 -1.45 0.00 0.00 41.25 39.87 2waq s ASN 199 CO 0.86 -0.36 1.04 -0.08 -3.72 0.00 0.00 177.10 174.83 2waq h GLU 200 N 8.33 0.02 0.00 0.43 4.81 -1.88 -3.35 114.58 122.94 2waq h GLU 200 Ca -0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2waq h GLU 200 Cb 1.11 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 2waq h GLU 200 CO 0.32 0.83 -0.16 -0.07 -0.73 0.00 0.00 179.01 179.20 2waq h LEU 201 N 0.00 0.00 -1.67 1.64 3.38 -1.95 -2.85 115.31 113.86 2waq h LEU 201 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2waq h LEU 201 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2waq h LEU 201 CO 0.11 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2waq h ALA 202 N 1.84 1.00 -2.55 1.53 0.00 -1.92 -3.45 119.26 115.72 2waq h ALA 202 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2waq h ALA 202 Cb 0.36 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.23 2waq h ALA 202 CO 0.02 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.69 2waq n THR 204 N -1.44 0.00 -0.00 0.00 -2.24 -1.26 -4.67 114.28 104.66 2waq n THR 204 Ca 0.11 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2waq n THR 204 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2waq n THR 204 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2waq h LEU 205 N 0.00 0.00 0.00 3.22 5.85 -1.97 -3.47 115.31 118.94 2waq h LEU 205 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2waq h LEU 205 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2waq h LEU 205 CO 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2waq n GLU 207 N 0.00 -0.50 0.15 0.00 1.02 -1.26 -4.89 120.64 115.15 2waq n GLU 207 Ca 0.00 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2waq n GLU 207 Cb 0.00 -3.50 0.52 0.00 -0.02 0.00 0.00 31.44 28.44 2waq n GLU 207 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2waq h GLU 208 N 0.79 0.00 0.06 3.49 4.39 -1.92 -0.30 114.58 121.09 2waq h GLU 208 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2waq h GLU 208 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2waq h GLU 208 CO 0.00 0.00 -1.08 0.00 -1.16 0.00 0.00 179.01 176.77 2waq h LEU 210 N 0.05 0.00 -1.31 0.00 3.38 -1.43 -3.10 115.31 112.90 2waq h LEU 210 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2waq h LEU 210 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2waq h LEU 210 CO 0.16 0.73 -0.34 -0.09 0.09 0.00 0.00 178.44 178.99 2waq h ARG 211 N 0.00 0.00 0.00 1.13 9.65 -1.18 -3.26 114.38 120.71 2waq h ARG 211 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2waq h ARG 211 Cb 1.30 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.87 2waq h ARG 211 CO 0.09 0.34 -1.86 0.66 2.80 0.00 0.00 179.97 182.01 2waq n TYR 212 N -4.04 0.00 -3.40 2.20 4.02 -1.24 -4.84 117.16 109.86 2waq n TYR 212 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 2waq n TYR 212 Cb 0.39 -0.45 -0.10 0.00 -0.02 0.00 0.00 39.34 39.16 2waq n TYR 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2waq s ASN 214 N 2.27 5.63 0.00 0.00 -0.87 -1.23 -4.04 114.94 116.70 2waq s ASN 214 Ca 0.10 2.30 0.00 0.00 -1.57 0.00 0.00 52.86 53.69 2waq s ASN 214 Cb -0.14 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.49 2waq s ASN 214 CO -0.31 -1.29 0.00 0.61 -2.57 0.00 0.00 177.10 173.55 2waq n GLY 215 N 0.35 0.95 0.30 0.66 0.00 -1.26 -4.71 105.19 101.48 2waq n GLY 215 Ca 0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.33 2waq n GLY 215 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2waq h LEU 216 N 0.00 0.00 -8.26 0.99 3.38 -1.92 -3.42 115.31 106.08 2waq h LEU 216 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2waq h LEU 216 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 2waq h LEU 216 CO 0.00 0.00 -0.85 -0.63 0.09 0.00 0.00 178.44 177.05 2waq s ILE 217 N -3.92 1.55 -0.16 1.22 1.01 -1.26 0.07 121.20 119.72 2waq s ILE 217 Ca -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 2waq s ILE 217 Cb 0.11 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2waq s ILE 217 CO 0.44 0.44 -0.10 -0.60 0.00 0.00 0.00 174.94 175.13 2waq s ARG 218 N 0.07 3.42 -0.04 2.79 3.52 -1.04 -4.97 118.95 122.70 2waq s ARG 218 Ca -0.06 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2waq s ARG 218 Cb -0.13 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 2waq s ARG 218 CO 0.03 0.11 -0.19 0.42 -0.81 0.00 0.00 175.30 174.86 2waq s ILE 219 N 0.63 1.60 0.06 4.11 1.01 -1.26 -1.29 121.20 126.06 2waq s ILE 219 Ca -0.06 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 2waq s ILE 219 Cb -0.15 -1.36 0.04 0.00 0.01 0.00 0.00 42.46 41.00 2waq s ILE 219 CO 0.03 0.46 0.44 -0.94 0.00 0.00 0.00 174.94 174.92 2waq s SER 220 N -0.10 -0.32 -0.21 3.58 1.04 -1.14 -5.00 113.70 111.55 2waq s SER 220 Ca -0.02 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 2waq s SER 220 Cb -0.11 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2waq s SER 220 CO 0.02 -0.71 0.35 -0.94 0.98 0.00 0.00 173.24 172.94 2waq s SER 221 N -2.12 6.38 0.11 7.02 1.04 -1.26 -2.60 113.70 122.27 2waq s SER 221 Ca -0.04 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.53 2waq s SER 221 Cb -0.00 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.85 2waq s SER 221 CO -0.04 -0.04 1.01 -0.69 0.98 0.00 0.00 173.24 174.46 2waq s VAL 222 N 1.23 4.36 -0.40 5.02 1.01 -1.03 -4.94 120.40 125.65 2waq s VAL 222 Ca 0.17 1.93 -0.43 0.00 0.00 0.00 0.00 61.98 63.65 2waq s VAL 222 Cb -0.14 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.83 2waq s VAL 222 CO 0.07 0.28 1.80 -0.62 0.00 0.00 0.00 175.10 176.63 2waq n GLU 223 N 2.86 0.57 -1.72 2.72 -0.58 -1.26 -2.09 120.64 121.14 2waq n GLU 223 Ca 0.03 0.20 -0.14 0.00 -0.42 0.00 0.00 57.16 56.83 2waq n GLU 223 Cb 0.48 -1.84 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2waq n GLU 223 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2waq n ASP 224 N 5.66 -3.94 -4.35 1.62 8.00 -1.26 -4.72 116.55 117.56 2waq n ASP 224 Ca 0.34 0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.77 2waq n ASP 224 Cb 0.05 -3.54 -0.13 0.00 -0.02 0.00 0.00 41.12 37.47 2waq n ASP 224 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2waq s LYS 225 N -3.76 3.38 0.00 -1.24 1.02 -0.89 -2.94 119.74 115.32 2waq s LYS 225 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.37 2waq s LYS 225 Cb 0.00 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2waq s LYS 225 CO 0.00 -0.25 -0.06 0.71 -0.92 0.00 0.00 175.35 174.83 2waq s TYR 226 N 1.52 0.51 -0.13 3.18 1.51 -0.74 -0.83 117.35 122.37 2waq s TYR 226 Ca 0.05 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.75 2waq s TYR 226 Cb -0.15 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 2waq s TYR 226 CO -0.00 -0.02 0.52 0.42 -1.11 0.00 0.00 175.55 175.36 2waq s ILE 227 N -0.36 5.15 -0.03 2.71 -1.09 0.72 -0.36 121.20 127.93 2waq s ILE 227 Ca -0.00 1.03 0.05 0.00 -2.23 0.00 0.00 60.65 59.49 2waq s ILE 227 Cb -0.04 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2waq s ILE 227 CO -0.00 0.28 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.60 2waq s LEU 228 N 0.91 2.61 -0.03 2.97 0.20 -0.05 -1.47 118.68 123.81 2waq s LEU 228 Ca 0.27 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.84 2waq s LEU 228 Cb -0.16 -1.52 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2waq s LEU 228 CO 0.11 0.33 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.84 2waq s GLU 229 N -0.80 0.80 0.09 1.98 2.02 -0.19 0.05 118.70 122.65 2waq s GLU 229 Ca 0.12 -0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.01 2waq s GLU 229 Cb -0.10 -0.79 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 2waq s GLU 229 CO 0.01 -0.02 -0.15 -0.51 0.02 0.00 0.00 175.26 174.61 2waq s LEU 230 N 0.63 2.31 -0.26 1.80 1.43 0.70 -1.98 118.68 123.32 2waq s LEU 230 Ca -0.09 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2waq s LEU 230 Cb -0.12 -0.58 0.13 0.00 0.03 0.00 0.00 46.19 45.65 2waq s LEU 230 CO 0.00 -0.07 0.33 -0.70 0.23 0.00 0.00 176.35 176.14 2waq s GLU 231 N -1.99 0.32 0.55 1.70 2.12 -0.99 0.12 118.70 120.53 2waq s GLU 231 Ca 0.02 0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 2waq s GLU 231 Cb -0.09 -0.65 -0.06 0.00 0.26 0.00 0.00 34.13 33.59 2waq s GLU 231 CO 0.03 -0.83 1.11 -1.54 -0.54 0.00 0.00 175.26 173.50 2waq s SER 232 N 2.45 5.76 0.24 -1.70 1.04 -0.15 -0.84 113.70 120.50 2waq s SER 232 Ca 0.10 2.12 0.25 0.00 0.48 0.00 0.00 55.95 58.90 2waq s SER 232 Cb -0.15 -2.57 0.61 0.00 0.10 0.00 0.00 66.02 64.01 2waq s SER 232 CO -0.23 -1.19 1.64 -0.37 0.98 0.00 0.00 173.24 174.08 2waq h VAL 233 N 1.14 0.00 0.00 5.02 -1.51 -1.10 -3.45 116.25 116.35 2waq h VAL 233 Ca -0.50 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2waq h VAL 233 Cb 1.25 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2waq h VAL 233 CO 0.57 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.52 2waq n GLY 234 N 1.27 1.15 0.13 5.19 0.00 -1.26 -5.03 105.19 106.63 2waq n GLY 234 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2waq n GLY 234 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2waq h SER 235 N 0.00 -0.18 -1.64 1.61 0.02 -1.87 -3.43 113.55 108.05 2waq h SER 235 Ca 0.00 -0.27 -0.59 0.00 -0.84 0.00 0.00 61.79 60.09 2waq h SER 235 Cb 0.00 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.48 2waq h SER 235 CO 0.00 0.19 -0.55 -0.76 -1.14 0.00 0.00 176.83 174.57 2waq s LEU 236 N -9.47 3.01 -0.09 5.07 1.02 -1.26 -0.48 118.68 116.47 2waq s LEU 236 Ca -0.15 -1.20 -0.13 0.00 0.02 0.00 0.00 54.13 52.67 2waq s LEU 236 Cb 0.02 -1.20 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 2waq s LEU 236 CO 0.60 -0.49 0.32 -0.54 0.02 0.00 0.00 176.35 176.26 2waq s LYS 237 N -3.81 3.99 0.61 1.70 -0.14 -1.26 -4.76 119.74 116.08 2waq s LYS 237 Ca 0.38 0.19 0.30 0.00 -1.36 0.00 0.00 55.97 55.48 2waq s LYS 237 Cb 0.06 -3.31 1.67 0.00 -1.68 0.00 0.00 37.83 34.57 2waq s LYS 237 CO 0.20 0.49 2.04 -1.00 -0.76 0.00 0.00 175.35 176.32 2waq h PRO 238 N 5.67 0.00 0.00 -1.68 0.13 -1.82 0.34 132.00 134.63 2waq h PRO 238 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2waq h PRO 238 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2waq h PRO 238 CO 0.67 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 2waq n GLU 239 N -3.53 0.51 -0.07 0.86 0.00 -1.26 -3.11 120.64 114.04 2waq n GLU 239 Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 57.16 57.13 2waq n GLU 239 Cb 0.40 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.25 2waq n GLU 239 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2waq n ARG 240 N -1.17 0.99 -0.05 3.44 3.00 0.12 -4.40 116.66 118.59 2waq n ARG 240 Ca 0.14 0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.95 2waq n ARG 240 Cb 0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 2waq n ARG 240 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2waq h ILE 241 N 0.00 1.06 -0.62 5.15 2.04 -1.49 -0.52 117.51 123.13 2waq h ILE 241 Ca -0.36 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2waq h ILE 241 Cb 1.65 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 2waq h ILE 241 CO -0.03 0.06 0.41 -0.07 0.00 0.00 0.00 178.15 178.53 2waq h LEU 242 N 0.28 0.58 0.08 1.44 3.38 -1.81 0.29 115.31 119.54 2waq h LEU 242 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2waq h LEU 242 Cb -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2waq h LEU 242 CO -0.02 0.38 -0.04 0.25 0.09 0.00 0.00 178.44 179.11 2waq h LEU 243 N 0.66 -0.09 -0.61 1.67 5.85 -1.63 -2.68 115.31 118.48 2waq h LEU 243 Ca 0.26 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2waq h LEU 243 Cb 0.20 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2waq h LEU 243 CO -0.08 0.33 0.00 -0.33 -0.34 0.00 0.00 178.44 178.02 2waq h GLU 244 N -0.52 0.00 0.02 1.25 4.39 -0.73 -1.82 114.58 117.17 2waq h GLU 244 Ca -0.01 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 2waq h GLU 244 Cb 0.45 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2waq h GLU 244 CO 0.02 0.00 -0.93 0.00 -1.16 0.00 0.00 179.01 176.94 2waq h ALA 245 N 2.27 0.09 -0.38 3.43 0.00 -0.43 -2.63 119.26 121.61 2waq h ALA 245 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 2waq h ALA 245 Cb 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2waq h ALA 245 CO 0.00 0.57 -0.23 0.78 0.00 0.00 0.00 179.25 180.37 2waq h GLY 246 N 0.21 0.91 1.88 0.00 0.00 -1.21 -3.11 103.07 101.74 2waq h GLY 246 Ca -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.32 2waq h GLY 246 CO 0.18 0.77 -0.15 0.50 0.00 0.00 0.00 176.54 177.84 2waq h LYS 247 N 0.64 0.15 0.00 4.80 1.57 -1.43 -2.16 116.57 120.14 2waq h LYS 247 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2waq h LYS 247 Cb 0.80 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2waq h LYS 247 CO 0.07 0.30 -0.03 0.66 -0.57 0.00 0.00 179.45 179.88 2waq h SER 248 N 0.14 0.00 0.04 0.86 4.64 -1.41 -2.02 113.55 115.81 2waq h SER 248 Ca 0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2waq h SER 248 Cb 0.35 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2waq h SER 248 CO 0.02 0.03 -0.32 0.40 -0.87 0.00 0.00 176.83 176.09 2waq h ILE 249 N 0.00 1.63 -0.83 0.95 1.08 -1.34 -3.17 117.51 115.83 2waq h ILE 249 Ca -0.00 -2.26 -0.03 0.00 -0.39 0.00 0.00 64.86 62.17 2waq h ILE 249 Cb 0.67 3.12 -0.04 0.00 -3.07 0.00 0.00 36.82 37.50 2waq h ILE 249 CO 0.00 0.61 0.40 0.40 -0.69 0.00 0.00 178.15 178.88 2waq h ILE 250 N -0.64 1.26 -0.85 -0.67 2.04 -1.41 0.14 117.51 117.38 2waq h ILE 250 Ca -0.05 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2waq h ILE 250 Cb 1.19 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2waq h ILE 250 CO 0.06 0.31 0.43 0.03 0.00 0.00 0.00 178.15 178.99 2waq h ARG 251 N 1.19 1.21 -0.14 2.37 3.08 -1.50 -1.16 114.38 119.42 2waq h ARG 251 Ca 0.29 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2waq h ARG 251 Cb 0.12 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2waq h ARG 251 CO -0.04 0.92 -0.48 0.87 -1.07 0.00 0.00 179.97 180.17 2waq h LYS 252 N 1.20 0.57 0.00 0.04 1.57 -1.44 -2.43 116.57 116.09 2waq h LYS 252 Ca 0.30 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2waq h LYS 252 Cb 0.08 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2waq h LYS 252 CO -0.04 1.05 -0.13 0.97 -0.57 0.00 0.00 179.45 180.73 2waq h ILE 253 N 0.21 0.74 0.17 1.86 6.09 -0.55 0.21 117.51 126.24 2waq h ILE 253 Ca -0.02 -0.52 -0.32 0.00 -1.37 0.00 0.00 64.86 62.63 2waq h ILE 253 Cb 1.10 1.32 0.01 0.00 0.47 0.00 0.00 36.82 39.72 2waq h ILE 253 CO 0.10 0.13 -1.51 -0.08 -3.07 0.00 0.00 178.15 173.72 2waq h GLU 254 N 0.00 0.35 -0.02 2.19 4.57 -1.23 -3.10 114.58 117.34 2waq h GLU 254 Ca -0.00 -0.60 -0.12 0.00 -1.18 0.00 0.00 59.36 57.46 2waq h GLU 254 Cb 0.30 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2waq h GLU 254 CO 0.02 1.25 -0.56 1.49 -1.18 0.00 0.00 179.01 180.03 2waq h GLU 255 N 0.10 0.05 -0.50 1.92 4.81 -0.90 -2.27 114.58 117.78 2waq h GLU 255 Ca -0.25 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.83 2waq h GLU 255 Cb 2.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.43 2waq h GLU 255 CO 0.20 0.59 -0.15 1.25 -0.73 0.00 0.00 179.01 180.17 2waq h LEU 256 N 0.04 0.99 0.09 1.64 5.85 -0.70 -2.97 115.31 120.25 2waq h LEU 256 Ca -0.00 -0.34 -0.29 0.00 0.84 0.00 0.00 57.88 58.08 2waq h LEU 256 Cb 0.99 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.78 2waq h LEU 256 CO 0.07 1.12 -1.22 -0.08 -0.34 0.00 0.00 178.44 177.99 2waq h GLU 257 N 0.86 0.57 -0.37 1.25 4.81 -1.45 -2.82 114.58 117.43 2waq h GLU 257 Ca 0.13 -0.77 -0.14 0.00 -0.13 0.00 0.00 59.36 58.45 2waq h GLU 257 Cb 0.71 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2waq h GLU 257 CO 0.05 1.34 -0.34 -0.22 -0.73 0.00 0.00 179.01 179.11 2waq h LYS 258 N 0.25 0.84 0.00 1.92 3.11 -1.49 -2.74 116.57 118.46 2waq h LYS 258 Ca -0.18 -0.41 0.00 0.00 -2.81 0.00 0.00 60.65 57.25 2waq h LYS 258 Cb 1.90 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.13 2waq h LYS 258 CO 0.23 1.05 -0.03 1.63 -2.81 0.00 0.00 179.45 179.52 2waq n LYS 259 N -4.06 0.03 0.10 1.90 5.02 -1.12 -3.71 118.16 116.31 2waq n LYS 259 Ca -0.01 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 2waq n LYS 259 Cb 0.51 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 2waq n LYS 259 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2waq h LEU 260 N 0.00 0.73 -0.62 -0.35 6.46 -1.22 -3.28 115.31 117.03 2waq h LEU 260 Ca 0.00 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.86 2waq h LEU 260 Cb 0.53 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2waq h LEU 260 CO 0.00 1.57 0.00 -0.37 -0.62 0.00 0.00 178.44 179.02 2waq h VAL 261 N 0.00 0.00 0.00 1.05 -1.51 -1.61 -3.22 116.25 110.96 2waq h VAL 261 Ca -0.20 -0.60 -0.10 0.00 -1.23 0.00 0.00 66.70 64.57 2waq h VAL 261 Cb 1.92 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 32.61 2waq h VAL 261 CO 0.22 0.00 -0.74 -0.33 -1.23 0.00 0.00 177.57 175.50 2waq h GLU 262 N 0.00 0.00 -3.14 5.19 5.08 -1.65 -3.38 114.58 116.68 2waq h GLU 262 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2waq h GLU 262 Cb 0.67 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.51 2waq h GLU 262 CO 0.00 0.35 -0.64 0.08 -1.00 0.00 0.00 179.01 177.80 2waq s VAL 263 N -3.01 2.42 -2.79 3.13 1.01 -1.21 -5.13 120.40 114.81 2waq s VAL 263 Ca 0.02 -3.59 0.22 0.00 0.00 0.00 0.00 61.98 58.64 2waq s VAL 263 Cb 0.08 -2.64 0.18 0.00 0.00 0.00 0.00 36.38 34.00 2waq s VAL 263 CO 0.76 -0.93 1.21 -0.38 0.00 0.00 0.00 175.10 175.76