#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wms s GLY 3 N 0.00 0.37 0.74 0.00 0.00 -1.26 -4.97 107.32 102.19 1wms s GLY 3 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 1wms s GLY 3 CO 0.00 3.71 1.08 0.54 0.00 0.00 0.00 173.10 178.43 1wms s LYS 4 N 6.61 2.52 -0.02 2.90 1.02 -1.26 -4.99 119.74 126.53 1wms s LYS 4 Ca 0.92 1.12 0.01 0.00 0.02 0.00 0.00 55.97 58.03 1wms s LYS 4 Cb -0.25 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1wms s LYS 4 CO 0.32 -1.43 -0.01 0.45 -0.92 0.00 0.00 175.35 173.75 1wms s SER 5 N -3.45 0.35 0.11 2.83 0.15 -1.25 -4.31 113.70 108.12 1wms s SER 5 Ca 0.61 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1wms s SER 5 Cb -0.16 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1wms s SER 5 CO 0.54 -0.04 0.25 -0.44 1.20 0.00 0.00 173.24 174.75 1wms s SER 6 N 0.51 6.35 -0.23 5.45 0.01 -1.03 -4.88 113.70 119.87 1wms s SER 6 Ca -0.05 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.38 1wms s SER 6 Cb -0.08 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1wms s SER 6 CO -0.01 0.11 0.01 -0.22 0.41 0.00 0.00 173.24 173.54 1wms s LEU 7 N -2.88 3.14 -0.14 2.44 2.96 -1.26 -0.17 118.68 122.77 1wms s LEU 7 Ca 0.35 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1wms s LEU 7 Cb -0.12 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1wms s LEU 7 CO 0.28 -0.02 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.83 1wms s PHE 8 N 1.52 2.88 -0.26 5.38 0.40 0.02 -4.99 117.98 122.93 1wms s PHE 8 Ca 0.06 -0.57 -0.13 0.00 -0.60 0.00 0.00 56.93 55.69 1wms s PHE 8 Cb -0.15 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1wms s PHE 8 CO -0.00 -0.19 0.27 0.21 0.70 0.00 0.00 175.22 176.21 1wms s LYS 9 N 0.43 4.02 -0.03 0.44 2.20 -1.26 -0.37 119.74 125.16 1wms s LYS 9 Ca -0.08 -0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 1wms s LYS 9 Cb -0.15 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1wms s LYS 9 CO 0.04 -0.16 -0.25 0.08 -0.36 0.00 0.00 175.35 174.70 1wms s VAL 10 N 1.70 2.09 -0.02 4.02 1.01 0.14 -0.22 120.40 129.12 1wms s VAL 10 Ca 0.11 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1wms s VAL 10 Cb -0.15 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1wms s VAL 10 CO 0.09 0.58 -0.23 -0.51 0.00 0.00 0.00 175.10 175.02 1wms s ILE 11 N -0.49 2.29 -0.22 2.22 2.07 -0.85 -0.72 121.20 125.50 1wms s ILE 11 Ca 0.06 -1.06 -0.09 0.00 -1.41 0.00 0.00 60.65 58.16 1wms s ILE 11 Cb -0.11 -1.83 -0.04 0.00 0.13 0.00 0.00 42.46 40.61 1wms s ILE 11 CO 0.00 0.56 0.10 -0.76 -1.91 0.00 0.00 174.94 172.93 1wms s LEU 12 N -0.72 3.85 0.08 8.50 1.43 -0.32 -0.31 118.68 131.20 1wms s LEU 12 Ca 0.11 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 1wms s LEU 12 Cb -0.10 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1wms s LEU 12 CO -0.00 0.09 -0.16 -0.76 0.23 0.00 0.00 176.35 175.75 1wms s LEU 13 N 0.90 2.29 0.00 1.79 1.43 -0.46 -4.19 118.68 120.45 1wms s LEU 13 Ca 0.05 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1wms s LEU 13 Cb -0.13 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1wms s LEU 13 CO 0.03 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1wms n GLY 14 N 1.16 2.61 3.67 -3.19 0.00 -1.26 -0.80 105.19 107.38 1wms n GLY 14 Ca -0.20 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 1wms n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wms n ASP 15 N 0.00 1.11 -4.67 1.61 9.92 -1.26 -4.90 116.55 118.36 1wms n ASP 15 Ca 0.00 0.68 -0.44 0.00 -0.53 0.00 0.00 54.79 54.49 1wms n ASP 15 Cb 0.00 -1.49 -0.02 0.00 -0.64 0.00 0.00 41.12 38.97 1wms n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wms n GLY 16 N 0.83 0.70 1.34 0.44 0.00 -1.26 -2.72 105.19 104.53 1wms n GLY 16 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1wms n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wms n GLY 17 N 1.87 1.03 0.21 -0.02 0.00 -1.26 -4.93 105.19 102.09 1wms n GLY 17 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1wms n GLY 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wms h VAL 18 N 0.00 0.00 0.00 1.61 -1.51 -1.87 -3.47 116.25 111.01 1wms h VAL 18 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1wms h VAL 18 Cb 0.00 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1wms h VAL 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1wms n GLY 19 N 0.71 1.83 0.19 5.19 0.00 -1.26 -4.54 105.19 107.31 1wms n GLY 19 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1wms n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wms h LYS 20 N 0.06 -0.34 -0.62 1.61 1.57 -1.90 0.90 116.57 117.85 1wms h LYS 20 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1wms h LYS 20 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1wms h LYS 20 CO 0.00 -0.23 0.36 1.03 -0.57 0.00 0.00 179.45 180.04 1wms h SER 21 N -0.35 0.76 -0.72 0.86 0.87 -1.99 -1.70 113.55 111.27 1wms h SER 21 Ca -0.01 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1wms h SER 21 Cb 0.31 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1wms h SER 21 CO -0.01 0.62 0.31 0.28 -0.53 0.00 0.00 176.83 177.49 1wms h SER 22 N 0.84 0.99 -0.23 6.23 0.02 -1.91 -0.84 113.55 118.65 1wms h SER 22 Ca 0.22 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1wms h SER 22 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1wms h SER 22 CO -0.04 0.87 0.06 -0.07 -1.14 0.00 0.00 176.83 176.51 1wms h LEU 23 N 1.06 0.34 -0.62 5.07 3.38 -0.49 0.10 115.31 124.15 1wms h LEU 23 Ca 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1wms h LEU 23 Cb 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1wms h LEU 23 CO -0.02 0.47 0.23 -0.03 0.09 0.00 0.00 178.44 179.17 1wms h MET 24 N 0.19 0.94 -0.61 1.13 4.05 -1.15 -1.14 114.93 118.34 1wms h MET 24 Ca 0.07 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.24 1wms h MET 24 Cb 0.26 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1wms h MET 24 CO -0.00 0.81 0.10 -0.91 0.23 0.00 0.00 176.91 177.14 1wms h ASN 25 N 0.88 0.98 -0.33 1.39 2.35 -1.02 -1.54 115.58 118.29 1wms h ASN 25 Ca 0.20 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wms h ASN 25 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1wms h ASN 25 CO -0.01 0.99 0.21 -0.09 -1.65 0.00 0.00 177.43 176.88 1wms h ARG 26 N 0.93 0.44 -0.26 0.81 9.65 -0.59 0.52 114.38 125.87 1wms h ARG 26 Ca 0.19 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1wms h ARG 26 Cb 0.43 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1wms h ARG 26 CO 0.01 0.30 0.16 -0.92 2.80 0.00 0.00 179.97 182.33 1wms h TYR 27 N 0.44 0.33 0.19 2.20 3.20 -0.97 0.51 116.97 122.88 1wms h TYR 27 Ca 0.12 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.68 1wms h TYR 27 Cb -0.03 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.15 1wms h TYR 27 CO -0.05 0.23 -1.43 0.28 -1.64 0.00 0.00 178.16 175.54 1wms h VAL 28 N 0.34 1.31 -0.00 1.81 2.07 -1.20 -3.38 116.25 117.19 1wms h VAL 28 Ca 0.09 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1wms h VAL 28 Cb -0.01 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1wms h VAL 28 CO -0.02 0.84 -0.27 0.35 0.02 0.00 0.00 177.57 178.50 1wms n THR 29 N -3.62 0.00 -2.80 2.57 -2.24 0.17 -5.01 114.28 103.35 1wms n THR 29 Ca -0.15 -0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.06 1wms n THR 29 Cb 1.07 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 70.35 1wms n THR 29 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wms n ASN 30 N -0.80 -5.50 -4.23 3.42 5.15 0.17 -5.01 115.26 108.47 1wms n ASN 30 Ca 0.02 -0.16 -0.20 0.00 -0.60 0.00 0.00 54.58 53.64 1wms n ASN 30 Cb 0.14 -4.52 -0.12 0.00 -0.53 0.00 0.00 39.78 34.75 1wms n ASN 30 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1wms s LYS 31 N -5.46 0.98 -0.02 1.20 1.02 -1.26 -5.02 119.74 111.17 1wms s LYS 31 Ca 0.19 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.08 1wms s LYS 31 Cb -0.09 -1.03 0.02 0.00 -0.52 0.00 0.00 37.83 36.21 1wms s LYS 31 CO 0.23 0.22 -0.02 0.12 -0.92 0.00 0.00 175.35 174.99 1wms s PHE 32 N -1.49 0.40 -0.22 3.18 5.36 -1.26 -3.58 117.98 120.38 1wms s PHE 32 Ca 0.04 -0.05 -0.06 0.00 -0.96 0.00 0.00 56.93 55.90 1wms s PHE 32 Cb -0.09 -0.40 0.11 0.00 -0.34 0.00 0.00 43.02 42.30 1wms s PHE 32 CO 0.03 -0.10 0.42 0.34 -1.46 0.00 0.00 175.22 174.45 1wms s ASP 33 N 0.67 -0.21 -0.52 6.13 -1.08 -1.26 -5.09 116.67 115.31 1wms s ASP 33 Ca -0.07 0.83 -0.28 0.00 -0.52 0.00 0.00 52.55 52.52 1wms s ASP 33 Cb -0.10 1.36 -0.00 0.00 -1.46 0.00 0.00 42.92 42.71 1wms s ASP 33 CO -0.01 -0.25 1.61 0.28 0.52 0.00 0.00 175.17 177.33 1wms s THR 34 N 2.62 3.61 0.00 1.71 -1.32 -1.26 -5.13 115.64 115.86 1wms s THR 34 Ca 0.02 0.51 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 1wms s THR 34 Cb -0.13 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 1wms s THR 34 CO -0.14 -0.94 0.00 0.35 -2.21 0.00 0.00 174.62 171.68 1wms n THR 39 N 7.07 0.00 -0.07 5.08 -2.24 -1.26 -5.27 114.28 117.59 1wms n THR 39 Ca 0.17 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1wms n THR 39 Cb 0.49 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 1wms n THR 39 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1wms n ILE 40 N 0.00 1.37 -2.97 2.28 5.41 -1.26 -5.00 119.36 119.19 1wms n ILE 40 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.93 1wms n ILE 40 Cb 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1wms n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wms n GLY 41 N 1.66 6.57 3.76 7.39 0.00 -1.26 -2.93 105.19 120.39 1wms n GLY 41 Ca -0.27 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1wms n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wms s VAL 42 N 0.93 3.22 0.01 1.61 1.01 -1.26 -4.08 120.40 121.84 1wms s VAL 42 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1wms s VAL 42 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1wms s VAL 42 CO 0.00 0.28 -0.05 -0.70 0.00 0.00 0.00 175.10 174.63 1wms s GLU 43 N -1.50 0.41 0.01 2.72 2.12 -0.74 -4.84 118.70 116.88 1wms s GLU 43 Ca 0.46 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 1wms s GLU 43 Cb -0.35 -0.30 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 1wms s GLU 43 CO 0.45 0.07 -0.00 -0.59 -0.54 0.00 0.00 175.26 174.65 1wms s PHE 44 N -0.60 0.17 0.10 5.30 -0.71 -1.26 -0.85 117.98 120.13 1wms s PHE 44 Ca -0.03 -0.35 0.06 0.00 -1.04 0.00 0.00 56.93 55.58 1wms s PHE 44 Cb -0.05 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1wms s PHE 44 CO -0.00 -0.15 -0.16 -0.51 -1.34 0.00 0.00 175.22 173.05 1wms s LEU 45 N -1.07 2.33 0.08 -1.99 1.43 -0.39 -4.95 118.68 114.12 1wms s LEU 45 Ca -0.12 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1wms s LEU 45 Cb -0.07 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1wms s LEU 45 CO -0.01 -0.05 -0.15 0.20 0.23 0.00 0.00 176.35 176.58 1wms s ASN 46 N -2.04 4.06 -0.12 2.29 0.01 -1.26 -0.31 114.94 117.58 1wms s ASN 46 Ca 0.05 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.69 1wms s ASN 46 Cb -0.08 -0.69 0.04 0.00 0.41 0.00 0.00 41.25 40.93 1wms s ASN 46 CO 0.03 0.21 0.28 -0.75 -1.51 0.00 0.00 177.10 175.36 1wms s LYS 47 N -1.88 0.26 0.20 -0.60 2.20 -0.04 -4.99 119.74 114.88 1wms s LYS 47 Ca 0.18 0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 56.05 1wms s LYS 47 Cb -0.11 -0.06 -0.08 0.00 -1.51 0.00 0.00 37.83 36.07 1wms s LYS 47 CO 0.09 -0.14 0.88 -0.51 -0.36 0.00 0.00 175.35 175.31 1wms s ASP 48 N 1.09 7.54 0.01 1.43 1.01 -1.26 -0.64 116.67 125.84 1wms s ASP 48 Ca -0.08 1.82 -0.00 0.00 0.71 0.00 0.00 52.55 55.00 1wms s ASP 48 Cb -0.09 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1wms s ASP 48 CO -0.08 0.17 0.01 0.00 0.21 0.00 0.00 175.17 175.48 1wms n LEU 49 N 1.61 0.00 -3.78 1.23 -0.00 -0.14 -4.96 117.00 110.96 1wms n LEU 49 Ca -0.03 -0.05 -0.13 0.00 -0.00 0.00 0.00 56.01 55.80 1wms n LEU 49 Cb 0.48 0.05 -0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1wms n LEU 49 CO 0.49 -0.01 -0.13 -0.70 -0.00 0.00 0.00 177.39 177.04 1wms s GLU 50 N -2.01 0.24 -0.05 1.47 2.12 -1.26 -1.25 118.70 117.95 1wms s GLU 50 Ca 0.01 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 1wms s GLU 50 Cb -0.00 0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.48 1wms s GLU 50 CO 0.00 -0.06 -0.01 0.08 -0.54 0.00 0.00 175.26 174.73 1wms s VAL 51 N 0.38 0.35 -1.40 3.70 1.01 -0.18 -4.81 120.40 119.45 1wms s VAL 51 Ca -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1wms s VAL 51 Cb -0.04 -0.46 0.09 0.00 0.00 0.00 0.00 36.38 35.97 1wms s VAL 51 CO -0.02 0.22 0.62 0.47 0.00 0.00 0.00 175.10 176.39 1wms n ASP 52 N 4.64 -3.89 0.00 3.32 8.00 -1.26 -0.96 116.55 126.40 1wms n ASP 52 Ca -0.16 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1wms n ASP 52 Cb 0.50 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 1wms n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wms n GLY 53 N -1.29 0.63 3.60 0.44 0.00 -1.26 -5.03 105.19 102.28 1wms n GLY 53 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1wms n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wms s HIS 54 N -2.55 3.15 0.23 1.61 3.76 -0.13 -5.08 115.29 116.28 1wms s HIS 54 Ca 0.00 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.57 1wms s HIS 54 Cb 0.00 -1.96 -0.09 0.00 1.11 0.00 0.00 32.58 31.63 1wms s HIS 54 CO 0.00 0.16 1.37 -0.06 -0.85 0.00 0.00 174.74 175.36 1wms s PHE 55 N 0.06 3.14 0.09 1.40 0.08 -1.26 -1.01 117.98 120.47 1wms s PHE 55 Ca 0.03 1.15 -0.02 0.00 0.12 0.00 0.00 56.93 58.21 1wms s PHE 55 Cb -0.13 -3.70 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 1wms s PHE 55 CO 0.02 -2.22 0.03 0.14 -0.10 0.00 0.00 175.22 173.09 1wms s VAL 56 N -0.04 0.17 -0.04 -0.44 -7.23 -0.38 -2.46 120.40 109.98 1wms s VAL 56 Ca 0.57 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 1wms s VAL 56 Cb -0.39 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1wms s VAL 56 CO 0.41 -0.76 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.41 1wms s THR 57 N -3.96 1.25 -0.12 5.32 2.01 0.76 -0.97 115.64 119.93 1wms s THR 57 Ca 0.13 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1wms s THR 57 Cb 0.07 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1wms s THR 57 CO -0.06 0.37 0.02 -0.32 -0.69 0.00 0.00 174.62 173.95 1wms s MET 58 N 0.16 3.30 -0.23 4.92 1.75 0.19 -0.80 119.30 128.58 1wms s MET 58 Ca -0.05 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.01 1wms s MET 58 Cb -0.11 -2.93 0.03 0.00 2.84 0.00 0.00 34.83 34.66 1wms s MET 58 CO 0.02 0.58 -0.11 -1.14 -0.65 0.00 0.00 175.02 173.72 1wms s GLN 59 N -0.53 2.73 -0.26 4.11 0.74 0.50 -0.86 119.66 126.09 1wms s GLN 59 Ca 0.09 -1.03 -0.09 0.00 0.05 0.00 0.00 55.36 54.38 1wms s GLN 59 Cb -0.12 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 1wms s GLN 59 CO 0.02 -0.39 0.12 0.42 -0.55 0.00 0.00 175.29 174.91 1wms s ILE 60 N 1.26 4.74 -0.15 -2.34 1.01 0.57 -0.69 121.20 125.62 1wms s ILE 60 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1wms s ILE 60 Cb -0.17 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1wms s ILE 60 CO -0.07 0.30 0.02 0.26 0.00 0.00 0.00 174.94 175.45 1wms s TRP 61 N 1.68 3.17 -0.35 3.97 0.52 0.10 -1.27 118.94 126.77 1wms s TRP 61 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 56.10 56.19 1wms s TRP 61 Cb -0.15 -1.96 0.08 0.00 -1.15 0.00 0.00 33.47 30.29 1wms s TRP 61 CO 0.07 0.21 0.08 0.34 0.02 0.00 0.00 176.95 177.66 1wms s ASP 62 N -0.02 4.96 0.00 2.95 -1.08 -0.03 -1.17 116.67 122.28 1wms s ASP 62 Ca 0.04 -1.76 0.22 0.00 -0.52 0.00 0.00 52.55 50.53 1wms s ASP 62 Cb -0.13 -1.72 0.54 0.00 -1.46 0.00 0.00 42.92 40.15 1wms s ASP 62 CO 0.02 -0.39 1.45 0.35 0.52 0.00 0.00 175.17 177.12 1wms n THR 63 N 4.51 0.41 -0.90 1.71 -2.24 -1.26 -1.79 114.28 114.72 1wms n THR 63 Ca -0.05 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 1wms n THR 63 Cb 0.42 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 1wms n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wms n ALA 64 N 1.02 3.91 -1.00 6.98 0.00 -1.26 -4.73 120.51 125.43 1wms n ALA 64 Ca 0.18 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1wms n ALA 64 Cb 0.49 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1wms n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wms n GLY 65 N 4.13 -1.26 3.66 0.00 0.00 -1.26 -4.61 105.19 105.84 1wms n GLY 65 Ca 0.45 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1wms n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wms s GLN 66 N 0.00 4.24 0.40 1.61 -0.21 -1.15 -4.75 119.66 119.80 1wms s GLN 66 Ca 0.00 1.00 0.08 0.00 0.02 0.00 0.00 55.36 56.46 1wms s GLN 66 Cb 0.00 -3.61 0.85 0.00 1.00 0.00 0.00 33.01 31.25 1wms s GLN 66 CO 0.00 -0.44 2.02 1.05 -2.12 0.00 0.00 175.29 175.79 1wms h GLU 67 N 7.51 0.58 0.00 2.91 -0.00 -1.93 0.12 114.58 123.76 1wms h GLU 67 Ca -0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1wms h GLU 67 Cb 1.11 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 1wms h GLU 67 CO 0.86 0.38 0.00 0.07 -0.00 0.00 0.00 179.01 180.33 1wms h ARG 68 N 0.59 0.00 -0.48 1.06 0.11 -2.03 -1.94 114.38 111.69 1wms h ARG 68 Ca 0.22 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.18 1wms h ARG 68 Cb 0.13 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.14 1wms h ARG 68 CO -0.06 0.00 0.09 1.19 0.10 0.00 0.00 179.97 181.30 1wms n PHE 69 N -2.52 1.63 -0.14 4.08 3.72 0.02 -4.71 117.46 119.54 1wms n PHE 69 Ca -0.00 -1.13 0.18 0.00 -0.05 0.00 0.00 57.45 56.45 1wms n PHE 69 Cb 0.15 -0.51 0.56 0.00 -0.94 0.00 0.00 39.48 38.74 1wms n PHE 69 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1wms h ARG 70 N 2.11 0.28 0.00 -1.08 0.11 -1.27 0.58 114.38 115.11 1wms h ARG 70 Ca 0.15 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 1wms h ARG 70 Cb 1.87 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.89 1wms h ARG 70 CO 0.47 0.19 -0.03 0.77 0.10 0.00 0.00 179.97 181.47 1wms h SER 71 N 0.29 0.00 0.30 0.08 0.02 -1.86 -1.82 113.55 110.56 1wms h SER 71 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1wms h SER 71 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1wms h SER 71 CO -0.09 0.03 -0.45 0.18 -1.14 0.00 0.00 176.83 175.35 1wms n LEU 72 N -3.20 0.89 -0.07 5.07 4.77 0.19 -4.08 117.00 120.57 1wms n LEU 72 Ca -0.01 -0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 55.62 1wms n LEU 72 Cb 0.21 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1wms n LEU 72 CO 0.25 0.19 -0.96 -2.11 -1.33 0.00 0.00 177.39 173.43 1wms n ARG 73 N -1.04 0.68 0.25 3.23 1.85 -0.69 -4.43 116.66 116.50 1wms n ARG 73 Ca 0.08 0.15 0.10 0.00 -1.00 0.00 0.00 57.85 57.18 1wms n ARG 73 Cb 0.35 -1.63 0.66 0.00 -1.05 0.00 0.00 32.46 30.79 1wms n ARG 73 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1wms h THR 74 N 0.01 0.78 -0.35 8.89 1.35 -1.68 -1.63 112.91 120.28 1wms h THR 74 Ca -0.46 -0.53 0.10 0.00 -0.55 0.00 0.00 66.41 64.97 1wms h THR 74 Cb 2.09 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 1wms h THR 74 CO 0.03 0.13 0.39 -0.65 -0.25 0.00 0.00 175.52 175.17 1wms h PRO 75 N 0.00 0.00 -0.00 4.72 0.11 -1.78 -1.26 132.00 133.78 1wms h PRO 75 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wms h PRO 75 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1wms h PRO 75 CO 0.02 0.00 -0.11 1.19 -0.21 0.00 0.00 178.00 178.89 1wms n PHE 76 N -3.73 0.00 -0.16 0.65 3.01 -0.61 -3.22 117.46 113.39 1wms n PHE 76 Ca 0.06 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.45 1wms n PHE 76 Cb 0.55 -0.17 0.09 0.00 -0.01 0.00 0.00 39.48 39.94 1wms n PHE 76 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1wms h TYR 77 N 0.63 1.01 -3.96 1.38 -1.99 -1.35 -3.45 116.97 109.24 1wms h TYR 77 Ca 0.00 -0.16 -0.54 0.00 2.00 0.00 0.00 58.73 60.04 1wms h TYR 77 Cb 0.35 -0.27 0.11 0.00 2.00 0.00 0.00 36.73 38.92 1wms h TYR 77 CO 0.00 0.90 0.74 0.50 -0.00 0.00 0.00 178.16 180.30 1wms s ARG 78 N -5.02 3.96 0.00 4.88 3.52 -1.20 -2.19 118.95 122.90 1wms s ARG 78 Ca -0.11 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1wms s ARG 78 Cb 0.14 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1wms s ARG 78 CO 0.83 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 1wms n GLY 79 N 0.52 1.14 3.75 8.12 0.00 -1.26 -5.02 105.19 112.44 1wms n GLY 79 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1wms n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wms s SER 80 N -3.09 6.60 -0.02 1.61 0.01 -0.93 -4.68 113.70 113.20 1wms s SER 80 Ca 0.00 2.74 0.19 0.00 1.31 0.00 0.00 55.95 60.20 1wms s SER 80 Cb 0.00 -2.63 -0.22 0.00 0.21 0.00 0.00 66.02 63.38 1wms s SER 80 CO 0.00 -0.72 0.54 0.47 0.41 0.00 0.00 173.24 173.94 1wms n ASP 81 N 1.96 0.35 -3.74 2.44 8.00 0.69 -4.97 116.55 121.29 1wms n ASP 81 Ca 0.06 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 1wms n ASP 81 Cb 0.40 1.02 -0.09 0.00 -0.02 0.00 0.00 41.12 42.44 1wms n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wms s LEU 84 N 0.71 5.21 -0.23 0.00 1.43 0.57 -1.89 118.68 124.48 1wms s LEU 84 Ca -0.11 -1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 1wms s LEU 84 Cb -0.16 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1wms s LEU 84 CO 0.02 -0.52 0.62 -0.76 0.23 0.00 0.00 176.35 175.94 1wms s LEU 85 N 1.60 4.10 -0.08 1.79 1.43 -0.40 -1.36 118.68 125.77 1wms s LEU 85 Ca 0.04 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 1wms s LEU 85 Cb -0.21 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1wms s LEU 85 CO 0.07 -0.31 -0.20 -0.89 0.23 0.00 0.00 176.35 175.25 1wms s THR 86 N 2.19 2.52 0.32 5.49 2.01 0.02 -0.88 115.64 127.32 1wms s THR 86 Ca 0.27 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1wms s THR 86 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1wms s THR 86 CO 0.09 0.56 0.12 0.72 -0.69 0.00 0.00 174.62 175.42 1wms s PHE 87 N -0.10 1.71 -0.11 4.92 -0.71 -0.12 -4.11 117.98 119.45 1wms s PHE 87 Ca -0.04 -1.21 -0.00 0.00 -1.04 0.00 0.00 56.93 54.63 1wms s PHE 87 Cb -0.14 -1.03 -0.02 0.00 -1.21 0.00 0.00 43.02 40.62 1wms s PHE 87 CO 0.04 -0.31 -0.10 0.45 -1.34 0.00 0.00 175.22 173.97 1wms s SER 88 N -3.44 4.34 0.14 1.98 0.15 -1.26 -0.70 113.70 114.91 1wms s SER 88 Ca 0.34 -0.20 0.20 0.00 0.70 0.00 0.00 55.95 56.99 1wms s SER 88 Cb 0.06 -1.46 0.82 0.00 -1.71 0.00 0.00 66.02 63.73 1wms s SER 88 CO 0.15 0.23 1.61 1.33 1.20 0.00 0.00 173.24 177.76 1wms n VAL 89 N 3.09 0.88 0.99 4.45 0.24 -0.12 -1.33 118.33 126.53 1wms n VAL 89 Ca -0.18 0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.43 1wms n VAL 89 Cb 0.53 -1.06 0.26 0.00 -1.47 0.00 0.00 33.84 32.10 1wms n VAL 89 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wms n ASP 90 N -1.89 1.88 -3.46 -1.34 5.75 -1.26 -0.62 116.55 115.60 1wms n ASP 90 Ca 0.03 -1.86 -0.26 0.00 -0.01 0.00 0.00 54.79 52.69 1wms n ASP 90 Cb 0.21 -0.18 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 1wms n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wms s ASP 91 N -1.28 2.74 0.41 -1.12 -1.08 -0.45 -4.46 116.67 111.44 1wms s ASP 91 Ca 0.29 -1.65 0.11 0.00 -0.52 0.00 0.00 52.55 50.77 1wms s ASP 91 Cb 0.15 -0.14 0.85 0.00 -1.46 0.00 0.00 42.92 42.32 1wms s ASP 91 CO 0.22 -0.35 1.95 0.77 0.52 0.00 0.00 175.17 178.27 1wms h SER 92 N 7.61 0.18 -0.87 -0.34 4.64 -1.81 -1.76 113.55 121.20 1wms h SER 92 Ca -0.05 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1wms h SER 92 Cb 1.01 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 1wms h SER 92 CO 0.32 0.32 0.49 -0.61 -0.87 0.00 0.00 176.83 176.48 1wms h GLN 93 N 0.18 1.20 -0.27 4.77 5.75 -1.94 -0.09 115.11 124.71 1wms h GLN 93 Ca 0.04 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1wms h GLN 93 Cb 0.33 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1wms h GLN 93 CO 0.02 0.87 -0.12 0.66 -2.65 0.00 0.00 178.83 177.61 1wms h SER 94 N 1.20 0.44 -0.31 -0.69 4.64 -1.65 -1.77 113.55 115.41 1wms h SER 94 Ca 0.31 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1wms h SER 94 Cb 0.01 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1wms h SER 94 CO -0.05 0.60 -0.05 0.15 -0.87 0.00 0.00 176.83 176.60 1wms h PHE 95 N 0.43 0.65 0.00 4.77 3.57 -1.19 -3.07 116.94 122.10 1wms h PHE 95 Ca 0.08 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1wms h PHE 95 Cb 0.47 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1wms h PHE 95 CO 0.01 0.75 -0.05 1.96 -2.23 0.00 0.00 178.31 178.76 1wms h GLN 96 N 0.36 0.00 -0.01 1.11 1.08 -0.63 -1.87 115.11 115.15 1wms h GLN 96 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1wms h GLN 96 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1wms h GLN 96 CO 0.03 0.05 0.00 0.09 -0.95 0.00 0.00 178.83 178.04 1wms n ASN 97 N -4.10 0.35 -0.24 1.46 5.03 -0.70 -4.14 115.26 112.92 1wms n ASN 97 Ca -0.03 -1.24 -0.03 0.00 0.87 0.00 0.00 54.58 54.15 1wms n ASN 97 Cb 0.13 -0.01 0.08 0.00 -1.02 0.00 0.00 39.78 38.96 1wms n ASN 97 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1wms h LEU 98 N 0.52 0.69 -0.67 3.41 3.38 -1.40 -1.70 115.31 119.54 1wms h LEU 98 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wms h LEU 98 Cb 0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1wms h LEU 98 CO 0.00 0.47 0.42 -1.28 0.09 0.00 0.00 178.44 178.14 1wms h SER 99 N 0.82 0.68 -0.14 -0.43 0.87 -1.82 -0.65 113.55 112.89 1wms h SER 99 Ca 0.28 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1wms h SER 99 Cb 0.04 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1wms h SER 99 CO -0.12 0.47 -0.15 0.78 -0.53 0.00 0.00 176.83 177.29 1wms h ASN 100 N 0.82 0.51 -0.72 6.23 2.35 -1.70 -0.60 115.58 122.47 1wms h ASN 100 Ca 0.27 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1wms h ASN 100 Cb 0.02 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1wms h ASN 100 CO -0.11 0.69 0.21 -0.50 -1.65 0.00 0.00 177.43 176.07 1wms h TRP 101 N 0.48 1.17 -0.35 1.19 4.06 -0.83 -0.36 115.95 121.31 1wms h TRP 101 Ca 0.08 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1wms h TRP 101 Cb 0.54 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1wms h TRP 101 CO 0.02 0.93 0.19 -0.22 -3.56 0.00 0.00 178.44 175.80 1wms h LYS 102 N 1.06 0.50 -0.71 0.49 3.64 -0.70 -1.47 116.57 119.38 1wms h LYS 102 Ca 0.23 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1wms h LYS 102 Cb 0.33 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1wms h LYS 102 CO -0.00 0.42 0.44 0.87 -2.27 0.00 0.00 179.45 178.91 1wms h LYS 103 N 0.44 0.96 -0.46 1.90 1.57 -0.87 -0.81 116.57 119.30 1wms h LYS 103 Ca 0.12 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1wms h LYS 103 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1wms h LYS 103 CO -0.02 0.67 0.29 1.49 -0.57 0.00 0.00 179.45 181.32 1wms h GLU 104 N 0.97 0.62 0.22 3.15 4.81 -0.79 -0.93 114.58 122.62 1wms h GLU 104 Ca 0.26 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1wms h GLU 104 Cb -0.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1wms h GLU 104 CO -0.05 0.43 -0.10 0.35 -0.73 0.00 0.00 179.01 178.90 1wms h PHE 105 N 0.62 -0.27 -0.82 0.92 3.57 -1.10 -0.49 116.94 119.37 1wms h PHE 105 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1wms h PHE 105 Cb -0.04 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1wms h PHE 105 CO -0.04 -0.13 0.53 0.82 -2.23 0.00 0.00 178.31 177.26 1wms h ILE 106 N -0.34 1.14 0.24 1.41 2.04 -0.96 0.85 117.51 121.89 1wms h ILE 106 Ca -0.03 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1wms h ILE 106 Cb 0.26 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1wms h ILE 106 CO 0.05 0.19 -0.11 0.22 0.00 0.00 0.00 178.15 178.49 1wms h TYR 107 N 1.04 -0.30 0.00 1.37 3.20 -1.04 -1.20 116.97 120.05 1wms h TYR 107 Ca 0.32 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1wms h TYR 107 Cb -0.01 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1wms h TYR 107 CO -0.02 0.03 -0.52 1.88 -1.64 0.00 0.00 178.16 177.88 1wms h TYR 108 N -0.64 0.00 0.00 -3.82 0.05 -0.96 -2.78 116.97 108.82 1wms h TYR 108 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1wms h TYR 108 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1wms h TYR 108 CO 0.02 0.41 -0.15 0.00 -1.05 0.00 0.00 178.16 177.40 1wms n ALA 109 N -2.22 2.46 -3.51 3.88 0.00 0.28 -4.69 120.51 116.71 1wms n ALA 109 Ca 0.01 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 1wms n ALA 109 Cb 0.70 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1wms n ALA 109 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wms n ASP 110 N -2.13 -5.55 -4.65 0.00 4.64 -0.91 -4.68 116.55 103.27 1wms n ASP 110 Ca 0.05 -0.88 -0.43 0.00 -1.38 0.00 0.00 54.79 52.15 1wms n ASP 110 Cb 0.42 -4.15 -0.02 0.00 -1.04 0.00 0.00 41.12 36.33 1wms n ASP 110 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1wms s VAL 111 N -3.45 3.89 -0.13 5.18 1.01 -0.50 -4.87 120.40 121.52 1wms s VAL 111 Ca 0.44 1.04 0.14 0.00 0.00 0.00 0.00 61.98 63.60 1wms s VAL 111 Cb -0.12 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1wms s VAL 111 CO 0.81 -0.22 1.39 0.11 0.00 0.00 0.00 175.10 177.19 1wms h LYS 112 N 9.54 0.00 -2.15 2.72 1.57 -1.90 -3.36 116.57 122.99 1wms h LYS 112 Ca -0.32 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 1wms h LYS 112 Cb 1.14 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.04 1wms h LYS 112 CO 0.98 0.53 -0.73 0.39 -0.57 0.00 0.00 179.45 180.06 1wms n GLU 113 N -3.21 2.15 0.24 3.15 -0.58 -1.26 -4.96 120.64 116.16 1wms n GLU 113 Ca 0.01 -4.33 0.08 0.00 -0.42 0.00 0.00 57.16 52.50 1wms n GLU 113 Cb 0.76 -2.01 0.59 0.00 -0.57 0.00 0.00 31.44 30.22 1wms n GLU 113 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wms h PRO 114 N 3.98 0.00 0.00 3.49 0.13 -1.97 -1.52 132.00 136.11 1wms h PRO 114 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 1wms h PRO 114 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1wms h PRO 114 CO 0.74 0.16 -0.09 0.93 -0.23 0.00 0.00 178.00 179.52 1wms h GLU 115 N 0.00 0.00 0.00 0.86 3.07 -1.95 -3.04 114.58 113.53 1wms h GLU 115 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wms h GLU 115 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1wms h GLU 115 CO 0.02 0.09 -0.70 -1.13 -1.40 0.00 0.00 179.01 175.88 1wms n SER 116 N -3.42 0.72 -4.74 1.42 3.41 -0.60 -5.02 113.62 105.39 1wms n SER 116 Ca -0.01 -0.76 -0.41 0.00 -0.26 0.00 0.00 58.87 57.43 1wms n SER 116 Cb 0.24 1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 1wms n SER 116 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1wms s PHE 117 N -2.32 3.37 -0.04 7.33 2.19 -1.07 -4.95 117.98 122.49 1wms s PHE 117 Ca 0.04 1.41 -0.30 0.00 0.33 0.00 0.00 56.93 58.42 1wms s PHE 117 Cb 0.10 -3.48 -0.03 0.00 -1.31 0.00 0.00 43.02 38.31 1wms s PHE 117 CO 0.55 -1.35 1.02 -1.25 1.83 0.00 0.00 175.22 176.02 1wms s PRO 118 N -0.54 4.49 0.11 10.12 0.04 -1.26 -5.03 135.00 142.93 1wms s PRO 118 Ca 0.52 1.45 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1wms s PRO 118 Cb -0.34 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 1wms s PRO 118 CO 0.39 -0.18 -0.26 -0.06 0.04 0.00 0.00 177.00 176.93 1wms s PHE 119 N 1.45 2.33 -0.05 0.56 0.08 -1.26 -2.30 117.98 118.79 1wms s PHE 119 Ca 0.51 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.22 1wms s PHE 119 Cb -0.21 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1wms s PHE 119 CO 0.24 0.30 -0.15 0.08 -0.10 0.00 0.00 175.22 175.59 1wms s VAL 120 N -1.01 1.29 -0.17 -0.44 1.01 -0.79 -4.26 120.40 116.03 1wms s VAL 120 Ca 0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1wms s VAL 120 Cb -0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1wms s VAL 120 CO 0.05 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1wms s ILE 121 N 0.17 3.87 -0.17 2.22 -1.09 -0.33 -1.27 121.20 124.60 1wms s ILE 121 Ca -0.06 -0.36 -0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1wms s ILE 121 Cb -0.12 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1wms s ILE 121 CO 0.02 0.48 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.30 1wms s LEU 122 N 0.53 2.43 -0.55 2.97 1.43 -0.06 -1.13 118.68 124.29 1wms s LEU 122 Ca -0.03 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 1wms s LEU 122 Cb -0.14 -1.56 0.14 0.00 0.03 0.00 0.00 46.19 44.65 1wms s LEU 122 CO 0.03 0.04 0.48 -0.83 0.23 0.00 0.00 176.35 176.30 1wms s GLY 123 N 1.06 2.15 0.55 -3.19 0.00 -0.10 -0.95 107.32 106.84 1wms s GLY 123 Ca -0.01 -2.66 -0.02 0.00 0.00 0.00 0.00 44.72 42.04 1wms s GLY 123 CO -0.04 1.17 0.80 0.21 0.00 0.00 0.00 173.10 175.25 1wms s ASN 124 N 3.00 5.43 -0.49 1.64 2.47 0.13 -0.79 114.94 126.33 1wms s ASN 124 Ca 0.06 0.28 -0.02 0.00 0.42 0.00 0.00 52.86 53.61 1wms s ASN 124 Cb -0.26 -1.26 0.00 0.00 -1.45 0.00 0.00 41.25 38.28 1wms s ASN 124 CO 0.00 -1.07 0.22 0.29 -3.72 0.00 0.00 177.10 172.82 1wms n LYS 125 N -2.40 -1.70 0.00 0.43 5.02 -0.52 -0.95 118.16 118.05 1wms n LYS 125 Ca 0.05 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1wms n LYS 125 Cb 0.59 -3.83 0.54 0.00 -0.02 0.00 0.00 35.03 32.31 1wms n LYS 125 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wms n ILE 126 N -3.59 0.32 0.46 -0.18 -5.35 -0.74 -1.19 119.36 109.09 1wms n ILE 126 Ca -0.03 0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.60 1wms n ILE 126 Cb 0.54 -0.73 0.31 0.00 -1.74 0.00 0.00 39.64 38.01 1wms n ILE 126 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1wms n ASP 127 N -1.26 0.06 -4.64 7.28 5.75 -1.26 -4.63 116.55 117.85 1wms n ASP 127 Ca 0.11 0.52 -0.40 0.00 -0.01 0.00 0.00 54.79 55.00 1wms n ASP 127 Cb 0.16 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 39.65 1wms n ASP 127 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1wms s ILE 128 N -3.03 5.06 0.19 2.12 1.01 -0.33 -4.96 121.20 121.26 1wms s ILE 128 Ca 0.06 1.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 1wms s ILE 128 Cb 0.09 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1wms s ILE 128 CO 0.26 0.12 1.51 0.77 0.00 0.00 0.00 174.94 177.60 1wms h SER 129 N 7.67 0.61 -2.46 3.58 4.64 -1.88 -3.40 113.55 122.30 1wms h SER 129 Ca -0.31 -0.32 -0.57 0.00 -0.47 0.00 0.00 61.79 60.12 1wms h SER 129 Cb 1.14 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.96 1wms h SER 129 CO 0.75 1.03 0.90 -1.61 -0.87 0.00 0.00 176.83 177.03 1wms s GLU 130 N -4.02 3.17 0.15 4.77 8.01 -1.26 -4.99 118.70 124.54 1wms s GLU 130 Ca -0.07 -0.41 0.03 0.00 0.01 0.00 0.00 54.97 54.52 1wms s GLU 130 Cb 0.11 -4.19 -0.04 0.00 -4.31 0.00 0.00 34.13 25.71 1wms s GLU 130 CO 0.84 -2.04 0.28 1.03 0.01 0.00 0.00 175.26 175.38 1wms s ARG 131 N 5.22 3.42 0.00 1.61 0.52 -1.26 -4.61 118.95 123.84 1wms s ARG 131 Ca 0.31 -0.61 0.10 0.00 -0.52 0.00 0.00 55.73 55.01 1wms s ARG 131 Cb -0.11 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.33 1wms s ARG 131 CO 0.14 0.52 0.49 1.04 0.02 0.00 0.00 175.30 177.50 1wms n GLN 132 N -0.56 3.25 -4.05 3.54 6.02 0.21 -4.95 117.38 120.85 1wms n GLN 132 Ca -0.07 -0.17 -0.26 0.00 -0.01 0.00 0.00 57.00 56.49 1wms n GLN 132 Cb 0.54 -1.01 -0.17 0.00 1.02 0.00 0.00 30.24 30.62 1wms n GLN 132 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wms s VAL 133 N -1.80 1.03 0.57 5.09 1.01 -0.92 -4.61 120.40 120.76 1wms s VAL 133 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1wms s VAL 133 Cb 0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1wms s VAL 133 CO 0.37 0.36 0.96 -0.94 0.00 0.00 0.00 175.10 175.85 1wms s SER 134 N 1.48 6.30 0.20 3.32 1.04 -1.26 -4.90 113.70 119.87 1wms s SER 134 Ca 0.01 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 1wms s SER 134 Cb -0.13 -2.42 0.21 0.00 0.10 0.00 0.00 66.02 63.78 1wms s SER 134 CO -0.06 -0.75 1.76 0.74 0.98 0.00 0.00 173.24 175.92 1wms h THR 135 N 0.01 0.86 -0.73 2.02 2.02 -2.00 -1.80 112.91 113.30 1wms h THR 135 Ca -0.45 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1wms h THR 135 Cb 1.19 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1wms h THR 135 CO 0.62 0.08 0.29 -0.33 0.37 0.00 0.00 175.52 176.56 1wms h GLU 136 N 0.46 1.08 -0.55 6.66 5.08 -1.99 0.07 114.58 125.38 1wms h GLU 136 Ca 0.27 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1wms h GLU 136 Cb 0.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wms h GLU 136 CO -0.23 0.88 -0.09 1.49 -1.00 0.00 0.00 179.01 180.05 1wms h GLU 137 N 1.06 1.04 -0.45 2.33 4.81 -1.84 -1.23 114.58 120.30 1wms h GLU 137 Ca 0.25 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1wms h GLU 137 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1wms h GLU 137 CO -0.02 1.07 -0.04 0.00 -0.73 0.00 0.00 179.01 179.29 1wms h ALA 138 N 0.93 0.61 -0.68 2.92 0.00 -0.68 -2.22 119.26 120.14 1wms h ALA 138 Ca 0.14 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1wms h ALA 138 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1wms h ALA 138 CO 0.05 0.44 0.13 1.96 0.00 0.00 0.00 179.25 181.83 1wms h GLN 139 N 0.66 1.11 -0.66 0.00 4.20 -0.81 -1.77 115.11 117.84 1wms h GLN 139 Ca 0.12 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1wms h GLN 139 Cb 0.56 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1wms h GLN 139 CO 0.03 1.00 0.38 0.00 -0.67 0.00 0.00 178.83 179.57 1wms h ALA 140 N 1.09 0.84 -0.39 3.87 0.00 -1.14 -0.09 119.26 123.44 1wms h ALA 140 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wms h ALA 140 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wms h ALA 140 CO 0.01 0.34 0.23 2.35 0.00 0.00 0.00 179.25 182.18 1wms h TRP 141 N 0.90 0.52 -0.64 0.00 7.01 -1.05 -1.41 115.95 121.28 1wms h TRP 141 Ca 0.23 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1wms h TRP 141 Cb 0.02 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1wms h TRP 141 CO -0.01 0.38 0.38 0.00 -2.79 0.00 0.00 178.44 176.40 1wms h ARG 143 N 0.87 1.04 -0.01 0.00 3.08 -0.71 0.11 114.38 118.77 1wms h ARG 143 Ca 0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1wms h ARG 143 Cb -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1wms h ARG 143 CO -0.04 0.79 -0.36 -0.25 -1.07 0.00 0.00 179.97 179.04 1wms n ASP 144 N -4.34 1.07 -1.34 7.04 8.00 -0.56 -3.23 116.55 123.20 1wms n ASP 144 Ca 0.07 -0.88 -0.03 0.00 0.71 0.00 0.00 54.79 54.67 1wms n ASP 144 Cb 0.12 0.23 0.11 0.00 -0.02 0.00 0.00 41.12 41.57 1wms n ASP 144 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wms n ASN 145 N -0.74 2.38 0.00 -2.24 4.13 -0.51 -4.89 115.26 113.40 1wms n ASN 145 Ca 0.10 -3.34 0.00 0.00 1.68 0.00 0.00 54.58 53.02 1wms n ASN 145 Cb 0.36 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1wms n ASN 145 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wms n GLY 146 N -0.67 0.61 3.50 7.41 0.00 -1.24 -4.83 105.19 109.98 1wms n GLY 146 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 1wms n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wms n ASP 147 N 0.00 -2.36 -4.83 1.61 2.03 0.37 -4.98 116.55 108.39 1wms n ASP 147 Ca 0.00 -0.65 -0.33 0.00 0.52 0.00 0.00 54.79 54.33 1wms n ASP 147 Cb 0.00 -4.91 -0.06 0.00 -0.72 0.00 0.00 41.12 35.43 1wms n ASP 147 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1wms s TYR 148 N -3.41 3.36 0.43 -0.67 2.02 -1.14 -4.93 117.35 112.99 1wms s TYR 148 Ca 0.07 1.52 -0.26 0.00 -0.37 0.00 0.00 57.07 58.03 1wms s TYR 148 Cb -0.03 -2.80 -0.09 0.00 -0.40 0.00 0.00 41.96 38.65 1wms s TYR 148 CO 0.75 -0.16 1.37 -2.14 -1.57 0.00 0.00 175.55 173.80 1wms s PRO 149 N -3.40 3.84 -0.07 -1.71 0.02 -1.26 -4.74 135.00 127.67 1wms s PRO 149 Ca 0.60 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.96 1wms s PRO 149 Cb -0.09 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.71 1wms s PRO 149 CO 0.18 -0.65 -0.16 -0.47 -0.33 0.00 0.00 177.00 175.57 1wms s TYR 150 N -1.22 1.83 -0.07 6.54 5.04 -1.26 -1.19 117.35 127.02 1wms s TYR 150 Ca 0.59 -0.69 0.03 0.00 -2.44 0.00 0.00 57.07 54.56 1wms s TYR 150 Cb -0.41 -1.28 0.01 0.00 0.35 0.00 0.00 41.96 40.63 1wms s TYR 150 CO 0.53 -0.31 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.22 1wms s PHE 151 N 0.49 1.75 -0.35 4.97 0.40 -0.29 -5.00 117.98 119.96 1wms s PHE 151 Ca -0.15 -0.63 -0.22 0.00 -0.60 0.00 0.00 56.93 55.33 1wms s PHE 151 Cb -0.16 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1wms s PHE 151 CO 0.05 -0.27 0.74 -1.21 0.70 0.00 0.00 175.22 175.23 1wms s GLU 152 N 0.41 3.79 0.26 0.44 2.02 -1.26 -0.93 118.70 123.44 1wms s GLU 152 Ca -0.12 0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.29 1wms s GLU 152 Cb -0.15 -3.79 -0.05 0.00 0.10 0.00 0.00 34.13 30.25 1wms s GLU 152 CO 0.04 -0.77 -0.19 0.95 0.02 0.00 0.00 175.26 175.31 1wms s THR 153 N 2.95 2.35 -0.14 3.63 -4.23 0.03 -4.51 115.64 115.72 1wms s THR 153 Ca 0.30 -2.35 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1wms s THR 153 Cb -0.14 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.51 1wms s THR 153 CO 0.15 -0.41 0.08 -0.55 -0.54 0.00 0.00 174.62 173.35 1wms s SER 154 N -3.41 2.12 0.44 3.99 0.15 -0.55 -1.43 113.70 115.01 1wms s SER 154 Ca 0.28 -0.47 0.13 0.00 0.70 0.00 0.00 55.95 56.59 1wms s SER 154 Cb -0.05 -0.25 0.98 0.00 -1.71 0.00 0.00 66.02 64.99 1wms s SER 154 CO 0.13 -0.32 2.01 0.00 1.20 0.00 0.00 173.24 176.26 1wms h ALA 155 N 8.41 1.70 -0.29 5.45 0.00 -1.90 0.12 119.26 132.75 1wms h ALA 155 Ca -0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1wms h ALA 155 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wms h ALA 155 CO 0.26 0.22 -0.33 -0.22 0.00 0.00 0.00 179.25 179.18 1wms h LYS 156 N 0.11 0.64 -0.01 0.00 3.64 -1.94 -3.30 116.57 115.72 1wms h LYS 156 Ca 0.03 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1wms h LYS 156 Cb 0.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1wms h LYS 156 CO 0.01 0.88 -0.01 -0.40 -2.27 0.00 0.00 179.45 177.67 1wms n ASP 157 N -4.07 1.30 0.00 4.20 5.68 -1.20 -4.89 116.55 117.58 1wms n ASP 157 Ca -0.01 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1wms n ASP 157 Cb 0.48 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1wms n ASP 157 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wms n ALA 158 N 0.18 0.00 -1.68 2.12 0.00 0.40 -5.00 120.51 116.52 1wms n ALA 158 Ca 0.02 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.96 1wms n ALA 158 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1wms n ALA 158 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wms n THR 159 N -2.00 0.39 -1.27 0.00 -1.04 -1.06 -2.06 114.28 107.23 1wms n THR 159 Ca 0.00 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1wms n THR 159 Cb 0.00 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 1wms n THR 159 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wms n ASN 160 N 5.57 -5.69 0.04 8.00 3.02 -1.26 -1.48 115.26 123.45 1wms n ASN 160 Ca 0.22 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1wms n ASN 160 Cb 0.24 -4.02 -0.09 0.00 -0.61 0.00 0.00 39.78 35.30 1wms n ASN 160 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1wms h VAL 161 N 0.00 1.01 -0.71 2.41 2.07 -1.73 -1.96 116.25 117.34 1wms h VAL 161 Ca -0.19 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 1wms h VAL 161 Cb 1.13 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1wms h VAL 161 CO 0.28 0.25 0.33 0.00 0.02 0.00 0.00 177.57 178.45 1wms h ALA 162 N -0.09 1.26 -0.87 1.67 0.00 -1.90 -2.43 119.26 116.91 1wms h ALA 162 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wms h ALA 162 Cb 0.54 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1wms h ALA 162 CO 0.03 0.57 0.57 0.00 0.00 0.00 0.00 179.25 180.42 1wms h ALA 163 N 1.36 1.42 -0.30 0.00 0.00 -1.93 -0.00 119.26 119.81 1wms h ALA 163 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1wms h ALA 163 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wms h ALA 163 CO -0.03 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 1wms h ALA 164 N 1.48 0.41 -0.20 0.00 0.00 -0.86 -0.82 119.26 119.27 1wms h ALA 164 Ca 0.33 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1wms h ALA 164 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wms h ALA 164 CO -0.09 0.26 -0.42 0.74 0.00 0.00 0.00 179.25 179.75 1wms h PHE 165 N 0.35 0.58 -0.60 0.00 0.04 -1.27 -2.17 116.94 113.87 1wms h PHE 165 Ca 0.07 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 1wms h PHE 165 Cb 0.60 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1wms h PHE 165 CO 0.05 0.83 0.13 0.93 -0.60 0.00 0.00 178.31 179.66 1wms h GLU 166 N 0.40 0.94 -0.26 1.51 5.08 -0.91 -2.27 114.58 119.05 1wms h GLU 166 Ca 0.03 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1wms h GLU 166 Cb 0.90 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1wms h GLU 166 CO 0.08 0.84 -0.24 1.49 -1.00 0.00 0.00 179.01 180.18 1wms h GLU 167 N 0.89 0.50 -0.44 2.33 4.57 -0.94 -1.94 114.58 119.56 1wms h GLU 167 Ca 0.19 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1wms h GLU 167 Cb 0.34 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1wms h GLU 167 CO 0.00 0.70 0.17 0.00 -1.18 0.00 0.00 179.01 178.70 1wms h ALA 168 N 1.30 0.53 -0.64 2.92 0.00 -0.81 0.02 119.26 122.58 1wms h ALA 168 Ca 0.07 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1wms h ALA 168 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1wms h ALA 168 CO 0.05 -0.22 0.06 0.28 0.00 0.00 0.00 179.25 179.42 1wms h VAL 169 N 0.34 1.27 -0.91 0.00 2.07 -1.24 -1.79 116.25 115.99 1wms h VAL 169 Ca 0.20 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1wms h VAL 169 Cb 0.18 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1wms h VAL 169 CO -0.19 0.40 0.58 -0.09 0.02 0.00 0.00 177.57 178.29 1wms h ARG 170 N 1.01 1.06 -0.10 1.57 9.65 -0.67 -1.77 114.38 125.12 1wms h ARG 170 Ca 0.19 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1wms h ARG 170 Cb 0.49 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1wms h ARG 170 CO 0.02 0.70 -0.28 0.00 2.80 0.00 0.00 179.97 183.21 1wms h ARG 171 N 1.09 0.19 -0.08 0.20 2.47 -0.62 -1.12 114.38 116.51 1wms h ARG 171 Ca 0.38 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1wms h ARG 171 Cb 0.10 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1wms h ARG 171 CO -0.15 0.46 0.00 0.28 0.56 0.00 0.00 179.97 181.12 1wms h VAL 172 N 0.17 1.24 -0.97 2.04 2.07 -0.64 -3.01 116.25 117.16 1wms h VAL 172 Ca 0.03 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1wms h VAL 172 Cb 0.59 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1wms h VAL 172 CO 0.04 0.21 0.62 -0.07 0.02 0.00 0.00 177.57 178.40 1wms h LEU 173 N -0.14 0.93 0.00 2.57 3.38 -0.92 -1.23 115.31 119.90 1wms h LEU 173 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wms h LEU 173 Cb 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wms h LEU 173 CO 0.00 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1wms n ALA 174 N -2.37 1.42 0.92 1.53 0.00 -0.46 -5.12 120.51 116.43 1wms n ALA 174 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1wms n ALA 174 Cb 0.27 -1.12 0.09 0.00 0.00 0.00 0.00 19.45 18.69 1wms n ALA 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91